Node color:

Default

CFE

AvgCC

AvgLMI

Edge color:

Default

UFE

dUFE

CFE

dCFE

|Shift|

AvgCC

MaxCC

LMI

OFC2

ErrMsgs

Outliers

Edge size:

Default

UFE

dUFE

CFE

dCFE

|Shift|

AvgCC

MaxCC

LMI

OFC2

ErrMsgs

Outliers

Property:

Hints

Nodes

Edges

Cycles

TI

RepEx

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Abbreviations

• CFE: Constrained net free energy (complexed-solvated) in kcal/mol.
• dCFE: Standard error of the constrained net free energy in kcal/mol.
• UFE: Unconstrained net free energy (complexed-solvated) in kcal/mol.
• dUFE: Standard error of the unconstrained net free energy in kcal/mol.
• CC: Cycle closure error of the unconstrained free energy in kcal/mol.
• MaxCC: Maximum CC for any cycle traversing this node or edge.
• AvgCC: Average CC for all cycles traversing this node or edge.
• |Shift|: The absolute change in energy |CFE-UFE| upon enforcing cycle closure contraints.
• LMI: Lagrange multiplier index (unitless).
• AvgLMI: Average LMI of all edges connected to this node.
• OFC2: Twice the objective force constant in 1/(kcal/mol).
• ErrMsgs: Number of errors reported by edge analysis.
• Outliers: Number of warnings reported by edge analysis.
• TI: Unconstrained TI free energy (kcal/mol) using trapezoidal rule integration
• TI3n: Unconstrained TI free energy (kcal/mol) using natural cubic spline (zero 2nd derivative end-point conditions)
• TI3c: Unconstrained TI free energy (kcal/mol) using clamped cubic spline (zero derivative end-point conditions)
• DTI: The minimum difference in free energy (kcal/mol) between MBAR and the various TI interpolations
• tgtSPSmax: Trial-maximum replica exch. single pass steps in the target environment
• tgtSPSavg: Trial-average replica exch. single pass steps in the target environment
• tgtTNRTmin: Trial-minimum num. round trips in the target environment
• tgtTNRTavg: Trial-average num. round trips in the target environment
• refSPSmax: Trial-maximum replica exch. single pass steps in the reference environment
• refSPSavg: Trial-average replica exch. single pass steps in the reference environment
• refTNRTmin: Trial-minimum num. round trips in the reference environment
• refTNRTavg: Trial-average num. round trips in the reference environment

Node ↑	Expt ↑	CFE-Expt ↑	CFE ↑	dCFE ↑	LMI ↑	AvgCC ↑
ejm_31	0.000	0.000	0.000	0.027	4.31e-04	0.096
ejm_42	-0.240	-0.687	0.447	0.021	5.44e-04	0.099
ejm_43	1.280	-0.003	1.283	0.077	1.71e-04	0.095
ejm_44	2.120	-1.329	3.449	0.052	5.40e-04	0.111
ejm_45	-0.020	-0.736	0.716	0.044	1.62e-04	0.051
ejm_46	-1.770	-1.709	-0.061	0.043	1.69e-04	0.042
ejm_47	-0.160	-0.455	0.295	0.061	2.45e-04	0.085
ejm_48	0.540	-0.124	0.664	0.067	8.04e-04	0.231
ejm_49	1.790	-0.355	2.145	0.108	3.33e-04	0.150
ejm_50	0.560	0.760	-0.200	0.073	3.09e-04	0.150
ejm_54	-0.990	1.407	-2.397	0.052	6.13e-04	0.150
ejm_55	0.330	0.140	0.190	0.032	3.91e-04	0.102
jmc_23	-2.160	-1.254	-0.906	0.028	4.71e-04	0.084
jmc_27	-1.740	-0.711	-1.029	0.035	4.47e-04	0.063
jmc_28	-1.440	-1.425	-0.015	0.036	6.94e-04	0.108
jmc_30	-1.400	-0.320	-1.080	0.056	1.48e-04	0.103
N	16	16	16	16	16	16
Mean	-0.206	-0.425	0.219	0.051	4.04e-04	0.108
MeanAbs	1.034	0.713	0.930	0.051	4.04e-04	0.108
StdDev	1.299	0.814	1.354	0.023	2.01e-04	0.046
Min	-2.160	-1.709	-2.397	0.021	1.48e-04	0.042
Max	2.120	1.407	3.449	0.108	8.04e-04	0.231

Edge ↑	Expt ↑	CFE-Expt ↑	UFE ↑	dUFE ↑	CFE ↑	dCFE ↑	Shift ↑	LMI ↑	OFC2 ↑	AvgCC ↑	MaxCC ↑	ErrMsgs ↑	Outliers ↑
ejm_31~ejm_42	-0.240	0.687	0.434	0.062	0.447	0.035	0.013	3.35e-04	4.15e-03	0.095	0.231	6	0
ejm_31~ejm_43	1.280	0.003	1.265	0.126	1.283	0.082	0.018	1.65e-04	2.82e-03	0.095	0.120	1	0
ejm_31~ejm_45	-0.020	0.736	0.736	0.083	0.716	0.052	0.020	1.70e-04	2.21e-03	0.051	0.051	2	0
ejm_31~ejm_46	-1.770	1.709	-0.048	0.037	-0.061	0.051	0.014	1.73e-04	3.78e-03	0.042	0.076	2	0
ejm_31~ejm_47	-0.160	0.455	0.335	0.036	0.295	0.067	0.041	2.42e-04	1.68e-03	0.085	0.120	0	0
ejm_31~ejm_48	0.540	0.124	0.779	0.106	0.664	0.072	0.115	8.42e-04	1.88e-03	0.231	0.231	0	0
ejm_31~ejm_49	1.790	0.355	2.087	0.121	2.145	0.112	0.058	3.16e-04	1.82e-03	0.150	0.150	2	0
ejm_31~jmc_27	-1.740	0.711	-1.006	0.110	-1.029	0.044	0.024	3.64e-04	2.67e-03	0.058	0.165	0	0
ejm_31~jmc_28	-1.440	1.425	-0.108	0.077	-0.015	0.045	0.093	1.27e-03	2.51e-03	0.148	0.165	1	0
ejm_42~ejm_44	2.360	0.642	2.992	0.085	3.002	0.056	0.009	1.15e-04	2.21e-03	0.105	0.187	3	0
ejm_42~ejm_45	0.220	0.049	0.251	0.036	0.269	0.049	0.018	1.54e-04	2.50e-03	0.051	0.051	1	0
ejm_42~ejm_48	0.780	-0.563	0.114	0.079	0.217	0.070	0.103	7.66e-04	2.10e-03	0.231	0.231	0	0
ejm_42~ejm_50	0.800	-1.447	-0.611	0.055	-0.647	0.076	0.037	2.67e-04	2.86e-03	0.150	0.150	3	0
ejm_42~ejm_54	-0.750	-2.094	-2.924	0.090	-2.844	0.056	0.080	8.26e-04	2.37e-03	0.159	0.187	2	0
ejm_42~ejm_55	0.570	-0.828	-0.211	0.022	-0.258	0.038	0.046	8.85e-04	3.74e-03	0.092	0.132	0	0
ejm_42~jmc_23	-1.920	0.567	-1.389	0.034	-1.353	0.036	0.036	7.20e-04	3.14e-03	0.095	0.132	0	0
ejm_42~jmc_27	-1.500	0.023	-1.438	0.048	-1.477	0.041	0.038	6.35e-04	2.82e-03	0.041	0.085	0	0
ejm_42~jmc_28	-1.200	0.738	-0.411	0.048	-0.462	0.042	0.051	7.34e-04	2.76e-03	0.098	0.131	1	0
ejm_43~ejm_55	-0.950	-0.143	-1.113	0.087	-1.093	0.083	0.020	1.77e-04	2.55e-03	0.095	0.120	3	0
ejm_44~ejm_54	-3.110	-2.736	-5.729	0.107	-5.846	0.074	0.117	9.64e-04	1.52e-03	0.159	0.187	0	0
ejm_44~ejm_55	-1.790	-1.469	-3.279	0.074	-3.259	0.061	0.019	2.18e-04	1.92e-03	0.105	0.131	0	0
ejm_44~jmc_23	-4.280	-0.075	-4.434	0.120	-4.355	0.059	0.079	8.65e-04	2.04e-03	0.081	0.110	0	0
ejm_46~jmc_23	-0.390	-0.454	-0.831	0.079	-0.844	0.051	0.013	1.65e-04	4.11e-03	0.042	0.076	2	0
ejm_47~ejm_55	0.490	-0.595	-0.063	0.120	-0.105	0.069	0.042	2.48e-04	1.62e-03	0.085	0.120	1	0
ejm_49~ejm_50	-1.230	-1.115	-2.414	0.229	-2.345	0.130	0.069	3.51e-04	1.52e-03	0.150	0.150	7	0
ejm_54~ejm_55	1.320	1.267	2.582	0.056	2.587	0.061	0.005	4.89e-05	2.38e-03	0.131	0.131	0	0
ejm_55~jmc_23	-2.490	1.395	-1.045	0.071	-1.095	0.043	0.050	7.68e-04	2.83e-03	0.121	0.132	0	0
jmc_23~jmc_27	0.420	-0.544	-0.135	0.049	-0.124	0.045	0.011	1.66e-04	3.05e-03	0.057	0.085	0	0
jmc_23~jmc_30	0.760	-0.934	-0.194	0.060	-0.174	0.063	0.020	1.45e-04	2.20e-03	0.103	0.128	1	0
jmc_27~jmc_28	0.300	0.714	1.063	0.042	1.014	0.050	0.049	6.24e-04	2.78e-03	0.093	0.165	2	0
jmc_28~jmc_30	0.040	-1.105	-1.044	0.081	-1.065	0.067	0.021	1.51e-04	2.08e-03	0.103	0.128	0	0
N	31	31	31	31	31	31	31	31	31	31	31	31	31
Mean	-0.429	-0.081	-0.509	0.078	-0.510	0.061	0.043	4.47e-04	2.54e-03	0.107	0.138	1	0
MeanAbs	1.182	0.829	1.325	0.078	1.325	0.061	0.043	4.47e-04	2.54e-03	0.107	0.138	1	0
StdDev	1.479	1.054	1.858	0.041	1.859	0.021	0.032	3.29e-04	7.12e-04	0.049	0.047	1	0
Min	-4.280	-2.736	-5.729	0.022	-5.846	0.035	0.005	4.89e-05	1.52e-03	0.041	0.051	0	0
Max	2.360	1.709	2.992	0.229	3.002	0.130	0.117	1.27e-03	4.15e-03	0.231	0.231	7	0

Edge ↑	tgtSPSmax ↑	tgtSPSavg ↑	tgtTNRTmin ↑	tgtTNRTavg ↑	refSPSmax ↑	refSPSavg ↑	refTNRTmin ↑	refTNRTavg ↑
ejm_31~ejm_42	716	690	3344	3470	299	295	8018	8118
ejm_31~ejm_43	1707	1667	1396	1428	607	598	3948	4008
ejm_31~ejm_45	2328	2232	1022	1064	835	826	2868	2896
ejm_31~ejm_46	941	928	2537	2574	353	351	6796	6831
ejm_31~ejm_47	3457	3226	688	736	1333	1322	1792	1806
ejm_31~ejm_48	3752	3567	624	662	1177	1164	2032	2054
ejm_31~ejm_49	4337	4009	542	588	1041	1034	2300	2314
ejm_31~jmc_27	2085	2016	1142	1182	624	622	3832	3849
ejm_31~jmc_28	2318	2155	1024	1100	665	658	3600	3637
ejm_42~ejm_44	2189	2106	1082	1127	633	628	3786	3814
ejm_42~ejm_45	1517	1457	1572	1636	749	731	3198	3276
ejm_42~ejm_48	2201	2107	1082	1129	925	921	2588	2597
ejm_42~ejm_50	1370	1317	1738	1810	520	516	4610	4639
ejm_42~ejm_54	1291	1272	1842	1875	710	697	3374	3433
ejm_42~ejm_55	827	815	2890	2929	444	439	5403	5465
ejm_42~jmc_23	1089	1050	2194	2278	481	473	4987	5066
ejm_42~jmc_27	1490	1415	1598	1689	624	617	3838	3880
ejm_42~jmc_28	1493	1416	1596	1685	627	622	3816	3849
ejm_43~ejm_55	1810	1733	1312	1370	745	736	3214	3256
ejm_44~ejm_54	4903	3876	475	604	1176	1165	2032	2052
ejm_44~ejm_55	3188	3089	721	754	936	918	2554	2609
ejm_44~jmc_23	2643	2531	899	936	634	630	3776	3800
ejm_46~jmc_23	991	969	2412	2466	294	275	8144	8728
ejm_47~ejm_55	2965	2893	770	810	1571	1549	1521	1544
ejm_49~ejm_50	6176	5827	366	387	1286	1276	1860	1874
ejm_54~ejm_55	1301	1274	1834	1873	727	722	3294	3315
ejm_55~jmc_23	1404	1343	1695	1776	636	627	3762	3820
jmc_23~jmc_27	1539	1427	1545	1675	651	648	3676	3696
jmc_23~jmc_30	2239	2189	1054	1085	811	798	2950	2997
jmc_27~jmc_28	1208	1179	1978	2027	708	698	3382	3428
jmc_28~jmc_30	1993	1959	1190	1212	879	861	2721	2778
N	31	31	31	31	31	31	31	31
Mean	2176	2056	1425	1482	765	755	3667	3724
MeanAbs	2176	2056	1425	1482	765	755	3667	3724
StdDev	1266	1138	721	730	303	300	1617	1680
Min	716	690	366	387	294	275	1521	1544
Max	6176	5827	3344	3470	1571	1549	8144	8728

Edge ↑	UFE ↑	TI	TI3n	TI3c	DTI
ejm_31~ejm_42	0.434
ejm_31~ejm_43	1.265
ejm_31~ejm_45	0.736
ejm_31~ejm_46	-0.048
ejm_31~ejm_47	0.335	0.353	0.350	0.369	0.015
ejm_31~ejm_48	0.779	0.674	0.761	0.781	0.002
ejm_31~ejm_49	2.087
ejm_31~jmc_27	-1.006
ejm_31~jmc_28	-0.108
ejm_42~ejm_44	2.992
ejm_42~ejm_45	0.251
ejm_42~ejm_48	0.114	0.027	0.086	0.084	0.028
ejm_42~ejm_50	-0.611
ejm_42~ejm_54	-2.924	-3.032	-2.889	-2.909	0.015
ejm_42~ejm_55	-0.211
ejm_42~jmc_23	-1.389	-1.432	-1.409	-1.391	0.002
ejm_42~jmc_27	-1.438
ejm_42~jmc_28	-0.411
ejm_43~ejm_55	-1.113
ejm_44~ejm_54	-5.729	-6.189	-5.875	-5.703	0.026
ejm_44~ejm_55	-3.279
ejm_44~jmc_23	-4.434	-4.634	-4.425	-4.389	0.009
ejm_46~jmc_23	-0.831	-0.775	-0.777	-0.830	0.001
ejm_47~ejm_55	-0.063
ejm_49~ejm_50	-2.414
ejm_54~ejm_55	2.582	2.597	2.495	2.586	0.004
ejm_55~jmc_23	-1.045	-1.142	-1.110	-1.039	0.006
jmc_23~jmc_27	-0.135
jmc_23~jmc_30	-0.194
jmc_27~jmc_28	1.063
jmc_28~jmc_30	-1.044
N	31	10	10	10	10
Mean	-0.509	-1.355	-1.279	-1.244	0.011
MeanAbs	1.325	2.085	2.018	2.008	0.011
StdDev	1.858	2.622	2.513	2.493	0.010
Min	-5.729	-6.189	-5.875	-5.703	0.001
Max	2.992	2.597	2.495	2.586	0.028

Cycle ↑	Length ↑	UFE ↑	dUFE ↑	CC ↑	CC(TI)	CC(TI3n)	CC(TI3c)
ejm_31~ejm_42~ejm_48~ejm_31	3	-0.231	0.147	0.231
ejm_42~ejm_44~ejm_54~ejm_42	3	0.187	0.164	0.187
ejm_31~jmc_27~jmc_28~ejm_31	3	0.165	0.141	0.165
ejm_31~ejm_42~ejm_50~ejm_49~ejm_31	4	0.150	0.272	0.150
ejm_42~ejm_55~jmc_23~ejm_42	3	0.132	0.081	0.132
ejm_44~ejm_54~ejm_55~ejm_44	3	0.131	0.142	0.131
ejm_42~ejm_54~ejm_55~ejm_42	3	-0.131	0.108	0.131
ejm_31~ejm_42~jmc_28~ejm_31	3	0.131	0.110	0.131
ejm_42~jmc_23~jmc_30~jmc_28~ejm_42	4	-0.128	0.117	0.128
ejm_31~ejm_43~ejm_55~ejm_47~ejm_31	4	-0.120	0.197	0.120
ejm_44~ejm_55~jmc_23~ejm_44	3	0.110	0.158	0.110
ejm_42~jmc_23~jmc_27~ejm_42	3	-0.085	0.077	0.085
jmc_23~jmc_27~jmc_28~jmc_30~jmc_23	4	0.079	0.120	0.079
ejm_31~ejm_42~jmc_23~ejm_46~ejm_31	4	-0.076	0.112	0.076
ejm_42~ejm_44~ejm_55~ejm_42	3	-0.075	0.115	0.075
ejm_31~ejm_42~ejm_55~ejm_43~ejm_31	4	0.071	0.166	0.071
ejm_42~ejm_44~jmc_23~ejm_42	3	-0.053	0.150	0.053
ejm_31~ejm_42~ejm_45~ejm_31	3	-0.051	0.110	0.051
ejm_31~ejm_42~ejm_55~ejm_47~ejm_31	4	-0.050	0.141	0.050
ejm_42~jmc_27~jmc_28~ejm_42	3	0.036	0.080	0.036
ejm_31~ejm_46~jmc_23~jmc_27~ejm_31	4	-0.008	0.149	0.008
ejm_31~ejm_42~jmc_27~ejm_31	3	0.001	0.135	0.001
N	22	22	22	22	0	0	0
Mean	3	0.008	0.136	0.100	0.000	0.000	0.000
MeanAbs	3	0.100	0.136	0.100	0.000	0.000	0.000
StdDev	0	0.117	0.043	0.057	0.000	0.000	0.000
Min	3	-0.231	0.077	0.001	0.000	0.000	0.000
Max	4	0.187	0.272	0.231	0.000	0.000	0.000

Node

N	R	R^2	MAD	MSD	RMSD	m	b
16	1.000	1.000	0.000	0.000	0.000	1.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.244	0.060	0.930	-0.219	1.329	0.153	-0.393

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.812	0.660	0.713	0.425	0.896	0.847	0.393

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.593	0.351	1.033	0.257	1.271	0.010	0.053

N	R	R^2	MAD	MSD	RMSD	m	b
16	-0.013	0.000	1.034	0.207	1.274	-0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.418	0.175	1.036	0.314	1.278	0.015	0.111

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.244	0.060	0.930	0.219	1.329	0.390	-0.041

N	R	R^2	MAD	MSD	RMSD	m	b
16	1.000	1.000	0.000	0.000	0.000	1.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
16	-0.367	0.135	1.374	0.644	1.874	-0.610	-0.041

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.306	0.094	0.745	0.476	0.915	0.009	0.054

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.052	0.003	0.714	0.425	0.896	0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.513	0.263	0.771	0.532	0.933	0.029	0.120

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.812	0.660	0.713	-0.425	0.896	0.779	-0.377

N	R	R^2	MAD	MSD	RMSD	m	b
16	-0.367	0.135	1.374	-0.644	1.874	-0.221	-0.377

N	R	R^2	MAD	MSD	RMSD	m	b
16	1.000	1.000	0.000	0.000	0.000	1.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.385	0.148	0.923	-0.168	1.313	0.006	0.049

N	R	R^2	MAD	MSD	RMSD	m	b
16	-0.043	0.002	0.930	-0.218	1.329	-0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.092	0.008	0.922	-0.111	1.312	0.003	0.107

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.593	0.351	1.033	-0.257	1.271	33.925	-1.928

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.306	0.094	0.745	-0.476	0.915	10.981	-0.982

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.385	0.148	0.923	0.168	1.313	22.945	-0.946

N	R	R^2	MAD	MSD	RMSD	m	b
16	1.000	1.000	0.000	0.000	0.000	1.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
16	-0.229	0.053	0.050	-0.050	0.055	-0.002	0.001

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.488	0.238	0.057	0.057	0.069	0.989	0.057

N	R	R^2	MAD	MSD	RMSD	m	b
16	-0.013	0.000	1.034	-0.207	1.274	-81.298	-0.173

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.052	0.003	0.714	-0.425	0.896	209.835	-0.510

N	R	R^2	MAD	MSD	RMSD	m	b
16	-0.043	0.002	0.930	0.218	1.329	-291.133	0.336

N	R	R^2	MAD	MSD	RMSD	m	b
16	-0.229	0.053	0.050	0.050	0.055	-25.888	0.061

N	R	R^2	MAD	MSD	RMSD	m	b
16	1.000	1.000	0.000	0.000	0.000	1.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.601	0.361	0.107	0.107	0.116	137.442	0.052

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.418	0.175	1.036	-0.314	1.278	11.800	-1.475

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.513	0.263	0.771	-0.532	0.933	9.087	-1.402

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.092	0.008	0.922	0.111	1.312	2.713	-0.073

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.488	0.238	0.057	-0.057	0.069	0.241	0.025

N	R	R^2	MAD	MSD	RMSD	m	b
16	0.601	0.361	0.107	-0.107	0.116	0.003	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
16	1.000	1.000	0.000	0.000	0.000	1.000	0.000

Node X:

Expt

CFE-Expt

CFE

dCFE

LMI

AvgCC

Node Y:

Expt

CFE-Expt

CFE

dCFE

LMI

AvgCC

Edge

N	R	R^2	MAD	MSD	RMSD	m	b
31	1.000	1.000	0.000	0.000	0.000	1.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.238	0.056	1.404	-1.286	1.778	0.258	-0.409

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.764	0.584	0.839	-0.100	1.039	1.252	-0.398

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.261	0.068	1.111	-1.104	1.451	0.011	0.065

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.766	0.587	0.829	-0.104	1.040	1.258	-0.409

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.053	0.003	1.125	-1.122	1.470	0.001	0.059

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.288	0.083	1.139	-1.139	1.479	0.010	0.031

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.357	0.127	1.182	-1.182	1.517	0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.193	0.037	1.180	-1.180	1.515	-0.000	0.003

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.071	0.005	1.082	-1.076	1.434	0.004	0.102

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.085	0.007	1.052	-1.045	1.411	0.004	0.133

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.188	0.035	1.500	0.108	2.108	-0.338	1.690

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.000	0.000	1.182	-1.182	1.517	0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.005	0.000	1.404	-0.701	1.778	0.012	0.118

N	R	R^2	MAD	MSD	RMSD	m	b
31	1.000	1.000	0.000	0.000	0.000	1.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.379	0.144	1.186	0.137	1.517	0.988	0.147

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.018	0.000	0.763	-0.751	0.979	0.001	0.077

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.387	0.150	1.182	0.128	1.517	1.012	0.118

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.004	0.000	0.775	-0.768	0.992	0.000	0.060

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.251	0.063	0.788	-0.786	1.001	0.013	0.032

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.239	0.057	0.829	-0.829	1.039	0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.098	0.010	0.826	-0.826	1.038	-0.000	0.003

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.269	0.072	0.737	-0.722	0.949	0.021	0.090

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.228	0.052	0.712	-0.692	0.928	0.017	0.124

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.040	0.002	1.260	0.461	1.854	0.109	1.200

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.000	0.000	0.829	-0.829	1.040	0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.715	0.512	0.839	-0.368	1.039	0.620	0.135

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.531	0.282	1.186	-0.956	1.517	0.380	-0.134

N	R	R^2	MAD	MSD	RMSD	m	b
31	1.000	1.000	0.000	0.000	0.000	1.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.407	0.165	1.250	-1.246	1.832	0.012	0.063

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.999	0.998	0.043	0.001	0.053	1.000	0.001

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.281	0.079	1.265	-1.264	1.852	0.004	0.055

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.304	0.093	1.282	-1.282	1.861	0.007	0.033

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.186	0.035	1.324	-1.324	1.897	0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.426	0.182	1.322	-1.322	1.896	-0.000	0.003

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.201	0.040	1.230	-1.218	1.818	0.007	0.097

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.188	0.036	1.204	-1.187	1.798	0.006	0.129

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.023	0.001	1.565	-0.034	2.207	-0.029	1.329

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.000	0.000	1.325	-1.325	1.898	0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.261	0.068	1.111	1.104	1.451	6.220	0.695

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.018	0.000	0.763	0.751	0.979	0.277	0.807

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.407	0.165	1.250	1.246	1.832	13.844	0.240

N	R	R^2	MAD	MSD	RMSD	m	b
31	1.000	1.000	0.000	0.000	0.000	1.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.400	0.160	1.252	1.247	1.834	13.626	0.258

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.757	0.573	0.025	-0.018	0.033	0.394	0.030

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.339	0.115	0.042	-0.036	0.055	0.269	0.022

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.004	0.000	0.078	-0.078	0.088	-0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.521	0.271	0.076	-0.076	0.086	-0.009	0.003

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.335	0.112	0.048	0.028	0.058	0.401	0.075

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.234	0.055	0.067	0.059	0.080	0.272	0.116

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.420	0.177	1.276	1.212	2.081	17.982	-0.118

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.000	0.000	0.078	-0.078	0.088	0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.715	0.512	0.829	-0.369	1.040	0.620	0.135

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.532	0.283	1.182	-0.956	1.517	0.380	-0.135

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.999	0.998	0.043	-0.001	0.053	0.999	0.001

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.400	0.160	1.252	-1.247	1.834	0.012	0.063

N	R	R^2	MAD	MSD	RMSD	m	b
31	1.000	1.000	0.000	0.000	0.000	1.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.280	0.078	1.267	-1.265	1.853	0.004	0.055

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.300	0.090	1.288	-1.283	1.862	0.007	0.034

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.181	0.033	1.325	-1.325	1.898	0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.421	0.177	1.323	-1.323	1.897	-0.000	0.003

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.198	0.039	1.228	-1.219	1.819	0.007	0.097

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.187	0.035	1.200	-1.188	1.799	0.006	0.129

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.030	0.001	1.571	-0.035	2.214	-0.037	1.340

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.000	0.000	1.325	-1.325	1.899	0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.053	0.003	1.125	1.122	1.470	2.438	1.035

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.004	0.000	0.775	0.768	0.992	0.126	0.821

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.281	0.079	1.265	1.264	1.852	18.421	0.209

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.757	0.573	0.025	0.018	0.033	1.455	-0.010

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.280	0.078	1.267	1.265	1.853	18.324	0.216

N	R	R^2	MAD	MSD	RMSD	m	b
31	1.000	1.000	0.000	0.000	0.000	1.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.258	0.066	0.033	-0.018	0.038	0.393	0.019

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.221	0.049	0.060	-0.060	0.064	-0.003	0.001

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.598	0.357	0.058	-0.058	0.062	-0.020	0.004

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.449	0.202	0.047	0.046	0.063	1.035	0.044

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.152	0.023	0.077	0.077	0.091	0.341	0.117

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.397	0.158	1.280	1.230	2.098	32.698	-0.690

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.000	0.000	0.061	-0.061	0.064	0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.288	0.083	1.139	1.139	1.479	8.668	0.811

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.251	0.063	0.788	0.786	1.001	4.979	0.616

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.304	0.093	1.282	1.282	1.861	13.069	0.765

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.339	0.115	0.042	0.036	0.055	0.428	0.060

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.300	0.090	1.288	1.283	1.862	12.888	0.774

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.258	0.066	0.033	0.018	0.038	0.169	0.053

N	R	R^2	MAD	MSD	RMSD	m	b
31	1.000	1.000	0.000	0.000	0.000	1.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.819	0.671	0.042	-0.042	0.053	0.008	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.446	0.199	0.040	-0.040	0.051	-0.010	0.003

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.735	0.540	0.064	0.064	0.072	1.110	0.059

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.554	0.307	0.095	0.095	0.102	0.813	0.103

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.146	0.021	1.293	1.248	2.119	-7.866	1.627

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.000	0.000	0.043	-0.043	0.053	0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.357	0.127	1.182	1.182	1.517	1049.461	0.713

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.239	0.057	0.829	0.829	1.039	464.067	0.621

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.186	0.035	1.324	1.324	1.897	780.747	0.975

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.004	0.000	0.078	0.078	0.088	-0.555	0.079

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.181	0.033	1.325	1.325	1.898	759.999	0.986

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.221	0.049	0.060	0.060	0.064	-14.179	0.067

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.819	0.671	0.042	0.042	0.053	80.133	0.007

N	R	R^2	MAD	MSD	RMSD	m	b
31	1.000	1.000	0.000	0.000	0.000	1.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.048	0.002	0.002	0.002	0.002	-0.103	0.003

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.447	0.199	0.106	0.106	0.116	66.023	0.077

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.431	0.186	0.137	0.137	0.145	61.882	0.110

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.262	0.069	1.290	1.290	2.140	-1383.009	1.909

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.000	0.000	0.000	-0.000	0.001	0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.193	0.037	1.180	1.180	1.515	-262.564	1.848

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.098	0.010	0.826	0.826	1.038	-87.932	1.052

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.426	0.182	1.322	1.322	1.896	-827.021	3.422

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.521	0.271	0.076	0.076	0.086	-29.674	0.154

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.421	0.177	1.323	1.323	1.897	-818.102	3.400

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.598	0.357	0.058	0.058	0.062	-17.720	0.106

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.446	0.199	0.040	0.040	0.051	-20.161	0.094

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.048	0.002	0.002	-0.002	0.002	-0.022	0.001

N	R	R^2	MAD	MSD	RMSD	m	b
31	1.000	1.000	0.000	0.000	0.000	1.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.452	0.204	0.104	0.104	0.115	-30.886	0.185

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.178	0.032	0.135	0.135	0.143	-11.830	0.168

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.148	0.022	1.290	1.288	2.139	360.735	0.375

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.000	0.000	0.003	-0.003	0.003	0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.071	0.005	1.082	1.076	1.434	1.410	1.032

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.269	0.072	0.737	0.722	0.949	3.530	0.453

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.201	0.040	1.230	1.218	1.818	5.698	0.717

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.335	0.112	0.048	-0.028	0.058	0.279	0.049

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.198	0.039	1.228	1.219	1.819	5.637	0.724

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.449	0.202	0.047	-0.046	0.063	0.195	0.040

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.735	0.540	0.064	-0.064	0.072	0.486	-0.009

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.447	0.199	0.106	-0.106	0.116	0.003	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.452	0.204	0.104	-0.104	0.115	-0.007	0.003

N	R	R^2	MAD	MSD	RMSD	m	b
31	1.000	1.000	0.000	0.000	0.000	1.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.783	0.613	0.031	0.031	0.044	0.760	0.056

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.026	0.001	1.286	1.184	2.077	0.911	1.193

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.000	0.000	0.107	-0.107	0.117	0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.085	0.007	1.052	1.045	1.411	1.750	0.942

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.228	0.052	0.712	0.692	0.928	3.079	0.406

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.188	0.036	1.204	1.187	1.798	5.515	0.566

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.234	0.055	0.067	-0.059	0.080	0.201	0.051

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.187	0.035	1.200	1.188	1.799	5.488	0.571

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.152	0.023	0.077	-0.077	0.091	0.068	0.051

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.554	0.307	0.095	-0.095	0.102	0.378	-0.009

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.431	0.186	0.137	-0.137	0.145	0.003	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.178	0.032	0.135	-0.135	0.143	-0.003	0.003

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.783	0.613	0.031	-0.031	0.044	0.806	-0.004

N	R	R^2	MAD	MSD	RMSD	m	b
31	1.000	1.000	0.000	0.000	0.000	1.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.178	0.032	1.282	1.153	2.054	6.536	0.392

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.000	0.000	0.138	-0.138	0.145	0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.188	0.035	1.500	-0.108	2.108	-0.105	1.318

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.040	0.002	1.260	-0.461	1.854	0.015	0.810

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.023	0.001	1.565	0.034	2.207	-0.018	1.348

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.420	0.177	1.276	-1.212	2.081	0.010	0.066

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.030	0.001	1.571	0.035	2.214	-0.024	1.356

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.397	0.158	1.280	-1.230	2.098	0.005	0.054

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.146	0.021	1.293	-1.248	2.119	-0.003	0.046

N	R	R^2	MAD	MSD	RMSD	m	b
31	-0.262	0.069	1.290	-1.290	2.140	-0.000	0.001

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.148	0.022	1.290	-1.288	2.139	0.000	0.002

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.026	0.001	1.286	-1.184	2.077	0.001	0.106

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.178	0.032	1.282	-1.153	2.054	0.005	0.131

N	R	R^2	MAD	MSD	RMSD	m	b
31	1.000	1.000	0.000	0.000	0.000	1.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
31	0.000	0.000	1.290	-1.290	2.140	0.000	0.000

N	R	R^2	MAD	MSD	RMSD	m	b
0	na	na	na	na	na	na	na

N	R	R^2	MAD	MSD	RMSD	m	b
0	na	na	na	na	na	na	na

N	R	R^2	MAD	MSD	RMSD	m	b
0	na	na	na	na	na	na	na

N	R	R^2	MAD	MSD	RMSD	m	b
0	na	na	na	na	na	na	na

N	R	R^2	MAD	MSD	RMSD	m	b
0	na	na	na	na	na	na	na

N	R	R^2	MAD	MSD	RMSD	m	b
0	na	na	na	na	na	na	na

N	R	R^2	MAD	MSD	RMSD	m	b
0	na	na	na	na	na	na	na

N	R	R^2	MAD	MSD	RMSD	m	b
0	na	na	na	na	na	na	na

N	R	R^2	MAD	MSD	RMSD	m	b
0	na	na	na	na	na	na	na

N	R	R^2	MAD	MSD	RMSD	m	b
0	na	na	na	na	na	na	na

N	R	R^2	MAD	MSD	RMSD	m	b
0	na	na	na	na	na	na	na

N	R	R^2	MAD	MSD	RMSD	m	b
0	na	na	na	na	na	na	na

N	R	R^2	MAD	MSD	RMSD	m	b
0	na	na	na	na	na	na	na

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