#	AA	SS3	SS8	ASA 	HSEa-u	HSEa-d	CN13	theta	tau 	phi 	psi 	P(3-C)	P(3-E)	P(3-H)	P(8-C)	P(8-S)	P(8-T)	P(8-H)	P(8-G)	P(8-I)	P(8-E)	P(8-B)	
0	M	C	C	112.97	5.64	14.39	21.40	115.27	-156.27	-94.95	130.94	99.58	0.41	0.01	99.63	0.06	0.01	0.00	0.00	0.00	0.27	0.02
1	A	C	C	66.16	7.45	11.74	20.70	119.17	-149.70	-97.55	139.38	78.65	20.75	0.60	75.94	1.09	1.09	0.13	0.31	0.00	20.45	0.98
2	H	C	E	87.72	10.13	12.44	23.60	121.67	-160.06	-112.85	138.10	50.68	48.58	0.74	37.29	10.97	1.93	0.12	0.60	0.00	48.31	0.78
3	T	E	E	73.05	7.64	17.09	25.99	122.90	-151.30	-112.47	137.75	25.79	73.69	0.52	22.11	2.94	0.44	0.11	0.31	0.00	73.58	0.50
4	V	E	E	31.31	18.25	13.92	32.14	123.93	-165.47	-119.94	134.21	9.72	90.05	0.23	9.09	0.54	0.09	0.10	0.08	0.00	89.82	0.28
5	K	E	E	107.78	6.73	22.38	29.91	119.43	-154.47	-108.12	129.50	7.09	92.68	0.23	6.73	0.35	0.08	0.10	0.07	0.00	92.35	0.32
6	I	E	E	24.69	20.03	14.16	34.12	117.54	-159.17	-105.60	124.62	21.41	77.97	0.61	20.64	0.80	0.18	0.25	0.24	0.00	77.08	0.80
7	Y	C	C	91.84	9.77	18.92	29.26	113.24	-168.28	-91.86	138.91	58.78	35.71	5.51	38.17	14.78	6.29	0.86	4.45	0.00	34.38	1.06
8	D	C	S	98.57	5.28	20.63	26.30	103.80	-11.86	-75.17	-9.98	74.92	19.00	6.09	10.90	36.10	29.34	0.57	4.93	0.02	16.95	1.19
9	N	C	C	84.50	8.31	20.35	28.76	107.42	39.87	-102.35	74.84	76.42	16.37	7.20	33.42	19.06	25.33	0.94	6.23	0.01	13.58	1.43
10	C	C	C	15.58	22.56	13.29	35.01	112.94	158.87	-89.78	125.85	76.11	21.48	2.41	65.97	6.29	2.83	0.83	1.70	0.00	15.80	6.59
11	I	C	C	64.73	11.45	22.64	34.10	111.43	-154.56	-95.29	113.45	74.56	22.27	3.17	32.66	19.09	25.03	1.23	1.93	0.07	14.56	5.43
12	G	C	S	31.69	10.72	22.81	33.30	97.82	-9.73	79.16	7.02	88.07	8.55	3.38	22.19	38.06	28.89	1.38	1.74	0.01	5.82	1.90
13	C	C	C	13.72	22.02	15.12	36.47	102.85	120.31	-88.54	44.81	86.58	2.22	11.19	73.22	8.90	3.78	10.29	1.66	0.00	0.91	1.23
14	T	H	H	68.75	8.11	21.68	30.34	93.98	147.74	-65.39	-37.74	24.42	0.43	75.15	9.78	9.50	7.08	72.01	1.21	0.04	0.12	0.25
15	Q	H	H	85.38	6.56	24.07	30.78	92.38	52.97	-66.37	-40.32	8.65	0.43	90.91	3.92	2.25	3.78	87.96	1.64	0.06	0.23	0.16
16	C	H	H	4.90	23.70	17.22	41.03	91.85	51.04	-64.86	-42.88	2.62	0.45	96.93	1.11	0.49	1.46	94.08	2.37	0.03	0.39	0.07
17	V	H	H	24.95	19.53	18.49	37.31	91.68	51.67	-64.02	-39.94	2.19	0.54	97.27	0.77	0.32	1.35	94.57	2.37	0.03	0.52	0.06
18	R	H	H	156.49	2.61	23.77	26.35	91.77	52.77	-66.76	-33.77	6.81	0.42	92.77	1.08	0.53	5.54	90.68	1.64	0.10	0.32	0.12
19	A	H	H	37.73	11.48	18.96	31.00	93.85	50.88	-80.42	-20.83	19.72	0.31	79.97	1.01	1.70	17.09	79.01	0.73	0.15	0.09	0.22
20	C	C	C	8.63	24.08	10.46	33.82	109.73	83.87	-96.56	114.34	97.86	0.97	1.17	61.02	35.31	1.38	1.11	0.17	0.00	0.30	0.70
21	P	C	T	90.59	3.90	20.58	25.19	93.76	-164.00	-66.39	-19.56	88.27	1.21	10.52	31.13	15.52	41.41	4.38	6.29	0.00	0.61	0.66
22	L	C	T	69.57	10.33	16.59	27.60	97.08	53.34	-92.32	0.20	85.40	1.10	13.50	6.65	24.38	54.38	5.36	7.99	0.02	0.62	0.60
23	D	C	C	92.79	7.40	20.86	29.01	94.15	-119.39	58.97	40.90	80.51	4.20	15.30	34.95	21.07	24.80	4.32	10.99	0.02	2.82	1.03
24	V	C	S	13.76	20.29	17.76	38.26	97.28	140.01	-86.19	-23.79	71.93	16.93	11.15	31.69	32.12	8.78	3.89	6.84	0.04	15.37	1.27
25	L	E	E	7.53	24.69	16.14	41.03	127.82	44.74	-126.39	137.54	24.11	67.21	8.68	16.27	6.85	3.85	3.75	4.21	0.03	63.23	1.81
26	E	E	E	87.99	7.30	25.89	33.91	128.09	-171.15	-123.46	142.98	16.50	79.83	3.67	13.32	2.47	1.27	1.78	1.46	0.00	78.91	0.79
27	M	E	E	54.73	18.84	16.23	34.35	115.55	-128.58	-90.81	130.66	19.70	78.77	1.52	17.07	2.39	0.68	0.95	0.65	0.00	75.86	2.41
28	V	C	C	38.36	11.89	16.12	29.60	120.81	-160.98	-111.52	134.28	53.40	46.17	0.43	46.62	5.13	0.51	0.15	0.26	0.00	46.13	1.20
29	P	C	C	77.01	5.40	18.22	24.39	111.69	-108.91	-67.15	141.95	71.14	25.68	3.17	56.44	9.02	4.28	0.86	2.22	0.00	25.79	1.38
30	W	C	C	104.55	14.00	9.99	23.57	106.93	-137.00	-86.64	90.74	67.92	12.96	19.12	34.87	15.74	19.01	4.17	14.26	0.05	8.30	3.61
31	D	C	T	116.86	1.80	14.72	16.84	101.84	95.46	-83.70	39.14	73.55	5.48	20.97	16.68	17.46	40.19	4.28	15.92	0.05	3.42	2.00
32	G	C	T	53.72	3.04	13.76	17.79	100.98	-58.60	84.59	1.41	76.74	3.84	19.42	18.75	20.72	38.10	4.26	14.46	0.02	2.20	1.48
33	C	C	C	48.79	12.44	8.45	20.98	116.56	124.49	-89.75	141.55	75.01	11.80	13.19	48.91	15.13	10.45	6.33	7.13	0.03	6.47	5.55
34	K	C	C	136.64	2.87	15.38	19.07	112.28	-135.89	-90.63	138.91	67.25	13.21	19.54	32.58	16.05	19.82	8.90	9.95	0.18	7.52	4.99
35	A	C	T	65.99	8.20	12.35	21.55	107.39	-99.11	-68.04	129.30	71.09	5.13	23.78	14.22	15.41	41.33	10.64	12.79	0.20	3.15	2.26
36	G	C	T	46.39	5.52	15.79	22.21	101.16	27.78	77.31	-10.60	71.16	6.96	21.88	19.69	16.68	35.98	9.04	11.82	0.14	4.61	2.04
37	Q	C	C	98.92	6.94	16.49	24.25	99.19	77.65	-86.29	-10.09	60.10	20.68	19.22	36.29	12.50	11.61	10.12	9.35	0.17	14.95	5.00
38	M	C	C	56.55	16.07	13.22	28.58	105.60	78.19	-88.18	27.27	44.00	36.95	19.05	27.83	8.86	7.35	12.10	8.06	0.40	25.77	9.62
39	A	C	C	50.95	10.71	16.81	27.85	107.83	71.65	-84.49	109.44	54.64	29.62	15.74	31.19	13.60	11.48	8.27	7.60	0.19	24.14	3.53
40	S	C	C	66.72	6.64	19.60	26.95	111.99	9.11	-100.44	116.51	62.74	25.93	11.33	35.02	17.74	11.93	4.64	6.64	0.14	19.15	4.73
41	A	C	C	37.64	15.89	15.76	31.24	119.77	-123.98	-97.22	139.65	89.04	10.42	0.54	70.35	18.59	0.59	0.30	0.27	0.00	8.50	1.39
42	P	C	C	37.52	15.40	15.56	31.22	114.15	-107.25	-66.97	149.95	86.18	11.78	2.04	81.19	3.64	1.20	1.05	0.89	0.00	8.31	3.73
43	R	C	C	118.52	7.06	20.19	27.58	113.98	-117.48	-84.98	134.79	83.03	13.85	3.12	77.34	3.96	1.35	1.64	1.37	0.00	5.74	8.61
44	T	H	G	51.11	16.78	12.93	28.68	95.91	-136.92	-66.47	-29.02	32.23	2.97	64.80	16.76	6.76	10.59	8.16	55.01	0.01	2.12	0.60
45	E	H	G	138.11	2.98	18.67	22.35	93.17	67.36	-69.87	-23.41	26.97	2.24	70.79	6.25	5.76	16.42	9.06	60.34	0.02	1.73	0.42
46	D	H	G	85.79	6.25	18.43	25.43	98.01	51.56	-91.81	3.03	26.26	2.32	71.42	7.89	5.80	14.09	7.33	62.66	0.02	1.73	0.48
47	C	C	C	16.84	21.79	11.69	32.45	111.77	105.83	-86.63	118.56	70.51	13.38	16.11	52.73	10.37	6.39	6.47	10.32	0.02	8.20	5.50
48	V	C	T	65.94	9.47	20.98	30.81	113.75	-163.20	-92.04	127.10	74.15	18.11	7.75	21.03	12.70	41.52	4.28	3.27	0.21	10.80	6.19
49	G	C	T	31.06	9.50	20.81	30.66	100.17	12.74	86.08	0.82	86.26	7.91	5.84	16.09	23.83	47.26	2.48	2.94	0.04	5.25	2.11
50	C	C	C	20.68	19.36	13.37	32.09	104.47	133.91	-75.59	94.22	94.35	2.34	3.31	84.41	8.41	1.35	2.83	0.63	0.00	0.91	1.46
51	K	H	H	134.61	2.98	20.87	24.37	93.56	66.13	-62.73	-39.18	21.74	0.41	77.85	4.42	5.75	13.01	73.62	2.61	0.19	0.18	0.23
52	R	H	H	117.16	5.72	20.66	26.84	92.56	51.09	-66.37	-38.54	15.92	0.54	83.54	2.49	3.08	11.56	78.71	3.38	0.25	0.33	0.21
53	C	H	H	6.34	22.92	13.35	36.10	92.64	50.68	-66.62	-39.88	7.87	0.84	91.30	2.78	1.46	4.31	86.01	4.48	0.08	0.72	0.16
54	E	H	H	81.93	12.58	17.32	29.74	91.81	55.99	-63.73	-36.33	6.77	0.84	92.40	2.22	1.04	3.92	87.19	4.65	0.07	0.77	0.14
55	T	H	H	101.39	1.42	21.62	21.36	93.21	50.67	-72.62	-30.44	12.70	0.50	86.81	2.13	1.37	9.30	83.37	3.23	0.09	0.38	0.13
56	A	H	H	39.02	11.26	16.62	28.53	95.91	48.33	-81.37	-29.06	22.15	0.48	77.37	2.51	3.87	16.98	74.21	1.75	0.20	0.20	0.27
57	C	C	C	14.61	19.94	10.37	29.72	112.45	42.26	-120.79	95.76	98.25	0.82	0.93	65.04	32.16	1.02	0.78	0.18	0.00	0.28	0.53
58	P	C	T	91.08	3.96	17.10	22.23	93.96	-168.56	-66.46	-20.52	83.47	1.24	15.29	23.19	14.54	45.81	7.55	7.62	0.00	0.87	0.42
59	T	C	T	81.15	4.89	16.44	22.22	99.64	51.58	-94.83	-6.30	76.38	3.01	20.61	9.47	19.48	48.05	10.43	9.28	0.06	2.42	0.80
60	D	C	C	83.71	9.20	17.00	26.72	99.41	-117.61	-12.94	50.12	73.05	6.84	20.11	42.89	14.44	15.73	9.28	11.00	0.01	5.39	1.26
61	F	C	C	57.96	15.09	15.57	30.60	99.74	149.24	-88.64	-17.91	60.98	20.27	18.74	39.43	14.52	7.33	11.81	6.60	0.03	18.43	1.83
62	L	E	E	43.53	17.82	14.93	32.07	121.54	65.92	-112.55	130.56	29.59	53.95	16.47	20.63	5.87	4.34	11.58	4.77	0.06	50.88	1.87
63	S	E	E	50.93	8.14	20.44	29.29	125.92	-169.97	-119.25	142.64	22.49	65.36	12.15	17.26	2.93	2.02	8.72	2.93	0.01	65.33	0.80
64	I	E	E	57.70	16.29	13.79	29.79	121.42	-158.62	-114.98	129.88	19.55	69.98	10.46	15.49	1.93	1.22	8.42	1.74	0.00	70.63	0.56
65	R	E	E	125.99	5.56	17.09	24.14	120.72	-165.70	-113.11	130.84	16.86	73.72	9.43	13.36	1.57	1.08	7.87	1.54	0.00	74.09	0.48
66	V	E	E	61.78	11.02	12.05	24.25	118.72	-158.04	-109.00	128.69	20.55	70.57	8.88	16.44	2.10	1.36	7.20	1.74	0.00	70.49	0.66
67	Y	E	E	126.39	5.36	12.16	19.37	117.59	-160.02	-107.14	127.90	32.91	58.68	8.41	24.68	5.02	3.09	6.50	2.11	0.01	57.46	1.15
68	L	C	E	108.47	4.63	9.71	16.24	113.63	-162.06	-101.38	123.06	53.40	37.99	8.61	21.79	13.23	19.39	5.71	2.78	0.03	35.75	1.33
69	G	C	T	61.63	1.33	11.37	13.08	106.95	-25.33	79.89	-1.18	83.90	10.43	5.67	20.34	20.35	42.78	3.65	2.17	0.00	9.92	0.79
70	G	C	C	57.13	1.99	10.56	13.65	114.38	-15.37	86.82	150.14	84.68	10.25	5.07	28.79	26.95	28.78	2.55	2.55	0.00	9.47	0.91
71	E	C	C	138.18	2.95	9.60	14.50	118.48	-84.31	-100.34	137.95	66.63	26.91	6.46	45.45	14.32	6.37	3.82	2.69	0.01	25.19	2.15
72	T	C	C	92.46	3.99	9.57	15.69	121.17	-157.58	-111.52	139.53	56.48	35.77	7.75	43.67	8.39	4.09	4.78	2.89	0.01	33.88	2.30
73	T	C	E	90.60	4.87	9.49	16.41	119.76	-155.79	-112.85	138.25	48.95	39.16	11.89	35.84	8.26	5.25	7.17	4.56	0.02	36.67	2.23
74	R	C	E	154.68	3.45	10.35	15.85	119.93	-156.63	-110.57	137.77	48.84	36.40	14.76	32.91	9.11	7.19	8.33	5.88	0.03	34.71	1.84
75	S	C	C	79.91	3.85	9.23	15.04	118.26	-137.49	-98.27	140.01	56.78	28.54	14.67	36.87	10.32	9.80	7.26	6.72	0.03	27.20	1.80
76	M	C	C	134.07	3.31	8.87	13.88	110.81	-155.91	-100.44	110.78	63.70	23.39	12.91	33.38	14.64	16.43	6.65	5.68	0.05	21.17	1.99
77	G	C	C	54.55	2.52	9.97	13.83	111.37	-99.78	89.43	139.10	67.65	23.76	8.59	34.37	16.37	17.67	4.06	4.11	0.02	21.82	1.58
78	L	C	C	119.98	3.44	7.39	12.65	116.24	-120.15	-95.94	134.19	62.42	27.15	10.43	45.55	8.76	8.07	5.28	4.82	0.02	24.91	2.57
79	A	C	C	81.84	2.91	8.12	12.91	117.10	-159.51	-104.83	135.94	65.49	25.70	8.80	54.77	3.41	6.83	5.40	2.88	0.01	23.09	3.61
80	Y	C	C	151.33	4.89	10.55	17.16	116.30	-155.14	-105.27	129.79	97.41	1.85	0.75	97.11	0.27	0.33	0.69	0.05	0.00	1.41	0.15