#	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	S	C	C	72.31	5.47	15.17	22.07	115.06	-165.00	-104.34	133.17	99.78	0.21	0.01	99.69	0.13	0.03	0.00	0.00	0.00	0.13	0.01
1	H	C	C	102.90	9.54	11.75	22.18	117.54	-164.70	-106.71	133.61	78.38	20.97	0.65	73.88	2.43	1.31	0.15	0.41	0.00	20.52	1.29
2	S	C	E	64.29	5.61	15.79	22.66	121.02	-154.41	-107.24	142.39	55.16	44.26	0.58	42.45	10.43	1.30	0.08	0.49	0.00	44.51	0.73
3	V	E	E	44.50	17.79	11.97	29.18	123.11	-158.96	-115.19	134.01	15.81	83.97	0.22	14.29	1.22	0.16	0.06	0.12	0.00	83.73	0.43
4	K	E	E	110.14	6.26	21.33	28.56	120.22	-160.35	-111.44	132.16	6.38	93.47	0.15	6.04	0.31	0.06	0.06	0.05	0.00	93.17	0.31
5	I	E	E	50.29	17.44	14.78	31.92	118.60	-155.71	-105.89	128.54	14.11	85.61	0.28	13.46	0.63	0.13	0.11	0.11	0.00	84.94	0.62
6	Y	E	E	66.96	12.31	16.52	29.67	120.66	-158.79	-101.42	146.90	48.18	49.76	2.06	39.51	6.15	1.99	0.44	1.50	0.00	49.41	1.01
7	D	C	S	104.65	4.88	19.95	25.65	96.71	-134.14	-79.75	-14.19	73.07	24.30	2.63	13.65	38.13	21.56	0.28	2.18	0.01	23.30	0.89
8	T	C	C	67.12	8.11	20.79	29.25	121.21	46.04	-119.73	132.34	74.59	21.97	3.44	29.31	23.55	23.20	0.53	2.93	0.01	19.08	1.38
9	C	C	C	15.01	22.62	13.52	35.38	115.02	-156.13	-103.10	123.30	72.45	26.14	1.41	64.47	4.98	2.08	0.43	1.07	0.00	21.36	5.60
10	I	C	C	67.62	10.58	22.38	33.12	114.01	-153.87	-100.77	127.07	70.77	27.46	1.76	29.23	16.19	27.74	0.57	1.29	0.03	19.81	5.14
11	G	C	S	34.96	8.87	22.56	31.66	96.53	5.50	76.87	9.56	90.45	8.04	1.50	22.58	34.74	33.77	0.40	1.04	0.00	6.16	1.31
12	C	C	C	16.65	21.22	14.24	34.70	105.68	129.82	-83.90	70.17	89.99	2.07	7.94	79.36	7.72	2.37	7.45	1.08	0.00	0.83	1.20
13	T	H	H	72.29	7.53	21.15	29.24	94.48	83.54	-64.97	-37.38	31.66	0.58	67.77	10.03	13.53	9.47	64.94	1.46	0.05	0.17	0.34
14	Q	H	H	91.25	5.40	23.69	29.09	92.60	52.57	-66.74	-39.51	16.45	0.67	82.88	7.96	4.34	5.57	79.70	1.75	0.08	0.33	0.26
15	C	H	H	5.81	22.80	16.68	39.53	92.40	51.26	-65.28	-42.34	3.90	0.64	95.47	1.93	0.75	1.95	91.72	2.95	0.05	0.55	0.11
16	V	H	H	25.16	19.48	18.03	36.83	91.87	51.76	-63.65	-39.58	2.93	0.85	96.22	1.21	0.48	1.65	92.58	3.10	0.05	0.83	0.11
17	R	H	H	158.26	2.47	23.47	25.88	91.63	53.04	-66.86	-32.42	6.71	0.62	92.66	1.43	0.62	5.08	89.84	2.24	0.12	0.52	0.15
18	A	H	H	40.57	10.83	18.93	30.37	93.40	51.89	-80.69	-19.22	19.32	0.39	80.30	1.35	2.06	16.17	78.99	0.84	0.18	0.12	0.30
19	C	C	C	8.95	23.91	10.16	33.28	109.70	87.34	-91.11	114.39	98.31	0.76	0.93	68.37	28.49	1.32	0.83	0.16	0.00	0.23	0.58
20	P	C	T	91.93	3.86	20.37	25.06	93.29	-160.54	-67.07	-19.53	89.06	0.84	10.11	25.92	19.08	43.92	5.25	4.95	0.00	0.42	0.45
21	T	C	T	61.46	9.25	17.71	27.58	100.12	50.08	-97.46	-1.02	84.84	1.25	13.91	7.09	27.48	50.57	7.26	6.20	0.03	0.71	0.66
22	D	C	C	84.55	9.32	20.80	30.37	95.86	-114.69	55.17	43.77	79.01	5.27	15.72	40.17	19.05	19.88	6.24	9.69	0.02	3.75	1.20
23	V	C	C	13.13	20.73	18.25	39.00	97.25	145.59	-85.80	-25.13	68.33	17.91	13.76	33.87	26.53	8.57	6.26	7.16	0.04	16.07	1.48
24	L	E	E	8.44	24.38	16.74	41.18	125.89	46.58	-121.93	136.55	26.57	60.60	12.84	17.62	7.42	4.54	6.64	5.55	0.08	56.13	2.03
25	E	E	E	84.60	7.93	25.45	33.97	128.75	-172.33	-126.21	144.91	20.46	72.41	7.13	16.18	3.14	1.87	3.66	2.74	0.01	71.41	0.98
26	M	E	E	60.26	17.48	16.59	33.54	115.73	-127.03	-92.64	131.19	23.61	72.78	3.61	19.24	3.67	1.44	2.32	1.49	0.01	69.20	2.64
27	I	C	E	42.11	12.46	15.22	29.22	119.22	-157.78	-107.99	131.24	51.54	47.54	0.92	43.40	6.44	0.94	0.38	0.50	0.00	46.91	1.43
28	P	C	C	82.62	4.98	17.41	23.32	111.23	-115.12	-69.29	139.43	69.88	26.64	3.48	53.45	9.18	5.70	0.89	2.43	0.00	27.24	1.11
29	W	C	C	112.27	12.20	9.83	22.05	112.72	-148.65	-94.10	118.46	67.10	19.22	13.69	29.56	16.14	23.75	3.50	9.52	0.10	13.23	4.19
30	G	C	T	61.59	1.61	14.00	15.88	100.66	3.67	61.18	17.55	81.95	3.87	14.17	14.23	17.39	50.21	3.59	10.51	0.03	2.63	1.41
31	G	C	T	58.90	1.87	13.22	15.57	101.29	-44.32	83.75	0.63	80.71	3.28	16.01	16.79	22.30	42.44	4.76	10.44	0.03	2.04	1.22
32	C	C	C	49.62	11.35	8.80	20.73	118.32	118.79	-91.90	141.86	66.52	19.51	13.97	42.62	14.69	8.67	9.57	5.30	0.11	12.68	6.36
33	K	C	C	120.15	3.96	16.70	21.35	113.17	-135.36	-86.08	138.65	56.37	21.66	21.96	39.16	9.53	6.90	17.53	5.60	0.09	17.01	4.17
34	A	H	H	49.25	12.53	12.08	24.70	97.21	-119.21	-66.08	-33.94	34.12	17.67	48.21	18.43	7.47	9.50	31.42	16.02	0.32	14.82	2.02
35	K	H	H	129.87	3.95	17.07	21.88	94.61	61.57	-68.56	-29.02	27.29	21.68	51.03	14.67	5.68	8.09	34.85	15.42	0.22	19.49	1.57
36	Q	H	H	88.45	7.17	17.22	25.16	96.44	57.33	-75.05	-28.35	22.98	25.33	51.69	14.41	4.13	5.39	35.67	15.32	0.11	23.53	1.44
37	I	H	H	34.92	18.32	12.68	30.00	97.66	60.61	-76.30	-30.29	22.13	31.80	46.07	14.19	3.79	4.83	35.50	10.41	0.14	28.92	2.22
38	A	H	H	56.79	9.19	17.30	26.95	96.85	63.38	-70.48	-24.79	32.95	28.62	38.43	16.44	6.29	10.99	28.67	9.93	0.27	25.18	2.23
39	S	C	T	73.53	4.35	19.12	23.95	99.91	54.14	-92.23	-0.42	50.90	19.16	29.94	18.53	12.00	21.74	19.21	10.42	0.52	14.96	2.62
40	A	C	C	31.65	15.89	13.13	28.96	117.93	105.65	-83.63	140.67	93.62	5.22	1.17	50.78	42.20	1.19	0.85	0.35	0.00	3.76	0.87
41	P	C	C	58.53	10.07	16.77	27.74	111.37	-104.79	-67.14	148.90	86.78	5.83	7.39	71.42	8.29	6.61	4.42	3.13	0.00	4.33	1.80
42	R	C	C	117.38	9.39	17.28	27.03	111.66	-115.49	-84.72	130.12	80.51	9.14	10.34	64.82	8.09	6.46	5.70	4.95	0.00	5.02	4.95
43	T	C	C	52.37	15.09	13.86	28.26	103.70	-159.13	-80.97	-20.77	51.25	5.65	43.10	32.58	9.59	10.13	11.53	30.91	0.02	3.64	1.59
44	E	H	G	130.88	3.94	18.67	23.40	97.61	71.50	-73.76	-21.08	42.07	5.40	52.54	15.50	10.78	18.40	13.54	36.68	0.08	3.67	1.34
45	D	H	G	83.97	7.00	19.01	26.50	103.11	48.37	-94.49	15.78	43.16	5.92	50.93	19.67	9.54	16.40	11.97	36.87	0.04	4.12	1.38
46	C	C	C	17.53	21.62	12.98	33.61	108.60	123.86	-87.31	92.87	66.71	9.86	23.43	48.50	9.16	8.53	9.63	14.32	0.03	6.28	3.57
47	V	C	T	60.81	10.84	21.31	32.26	113.30	-161.91	-86.51	127.08	74.21	12.53	13.26	19.10	12.34	43.03	7.81	5.31	0.24	7.94	4.22
48	G	C	T	29.18	10.35	21.27	31.78	101.26	16.52	87.24	-0.71	83.23	6.56	10.21	16.50	20.72	46.82	4.93	4.79	0.07	4.26	1.90
49	C	C	C	18.33	19.99	13.59	32.97	109.29	133.27	-74.99	121.83	93.03	2.24	4.73	84.27	7.46	1.26	4.09	0.76	0.00	0.88	1.29
50	K	H	H	133.81	3.20	21.02	24.87	93.67	-142.79	-62.69	-39.52	17.24	0.35	82.40	4.21	4.56	9.90	77.97	2.90	0.12	0.16	0.18
51	R	H	H	118.47	5.63	20.76	26.85	92.43	51.09	-66.54	-38.64	14.50	0.71	84.79	3.04	3.07	9.74	79.49	3.74	0.22	0.46	0.24
52	C	H	H	6.76	22.55	13.46	35.86	92.65	50.01	-66.79	-40.63	8.29	0.97	90.75	3.45	1.54	4.13	85.13	4.67	0.06	0.83	0.18
53	E	H	H	82.89	12.70	17.16	29.62	92.03	55.75	-63.91	-36.69	7.46	0.78	91.77	2.53	1.16	4.28	86.33	4.78	0.07	0.68	0.16
54	S	H	H	85.03	1.34	21.30	20.95	92.60	52.18	-71.84	-26.21	15.02	0.35	84.63	2.32	1.50	11.27	81.27	3.20	0.08	0.24	0.12
55	A	H	H	41.45	10.88	16.32	27.89	96.38	49.36	-83.01	-25.57	25.06	0.40	74.54	2.61	4.04	19.31	71.77	1.70	0.16	0.16	0.25
56	C	C	C	17.16	19.29	10.23	28.93	114.56	44.75	-121.48	103.85	98.43	0.74	0.83	64.79	32.70	0.89	0.71	0.15	0.00	0.25	0.51
57	P	C	T	91.72	3.98	16.73	21.87	94.22	-162.58	-67.91	-19.78	83.97	1.15	14.88	23.70	16.27	43.75	6.84	8.24	0.00	0.87	0.34
58	T	C	T	82.39	4.89	15.99	21.88	109.64	54.91	-104.19	0.88	77.87	3.19	18.94	10.97	22.27	44.86	9.14	9.40	0.02	2.63	0.71
59	D	C	C	89.60	7.18	16.99	24.80	103.83	-106.57	-76.87	73.01	78.75	5.68	15.57	51.21	13.50	13.45	6.53	9.72	0.00	4.66	0.93
60	F	C	C	67.08	15.36	12.89	27.88	112.31	164.32	-94.50	120.09	67.32	18.40	14.28	55.05	7.99	3.69	10.31	4.15	0.00	16.63	2.17
61	L	C	E	68.11	12.21	14.97	27.54	119.17	119.51	-105.01	133.68	44.56	40.58	14.86	35.32	5.67	3.26	11.09	3.77	0.01	38.88	2.01
62	S	E	E	60.44	7.41	17.12	25.77	122.32	-163.96	-116.44	138.20	37.00	49.92	13.07	30.89	3.51	2.11	9.77	2.95	0.01	49.70	1.07
63	V	E	E	61.08	13.24	12.18	25.87	121.72	-163.02	-117.36	132.49	40.01	47.59	12.40	34.48	3.00	1.50	9.97	2.02	0.00	48.24	0.77
64	R	E	E	140.93	4.70	14.95	21.35	118.93	-160.51	-108.98	131.54	40.66	46.65	12.69	34.49	3.01	1.67	10.25	2.02	0.00	47.94	0.63
65	V	E	E	75.89	9.01	11.49	21.92	118.33	-156.43	-108.18	130.44	41.02	45.12	13.86	34.91	2.97	1.80	10.71	2.41	0.00	46.49	0.72
66	Y	C	E	130.04	5.55	11.68	19.09	118.07	-156.37	-107.38	130.07	46.83	39.48	13.69	39.30	3.73	2.36	10.75	2.46	0.00	40.54	0.86
67	L	C	C	104.86	5.04	10.64	17.52	115.65	-158.95	-100.87	128.05	54.49	31.41	14.09	42.55	6.49	4.20	10.87	3.04	0.01	31.73	1.12
68	W	C	C	165.73	4.01	9.74	15.55	118.40	-152.89	-107.84	138.73	64.28	22.45	13.27	47.33	9.77	5.99	10.34	3.05	0.02	22.29	1.22
69	H	C	C	138.56	3.01	9.58	14.32	116.60	-147.80	-104.09	134.35	67.75	18.19	14.06	49.07	10.95	6.81	10.69	3.54	0.02	17.54	1.39
70	E	C	C	136.57	2.99	9.36	14.17	116.61	-148.92	-98.11	134.75	68.16	15.55	16.28	48.58	11.66	6.97	12.67	3.93	0.02	14.57	1.60
71	T	C	C	95.31	3.49	8.62	14.10	119.94	-157.29	-107.91	139.28	68.59	15.29	16.12	53.11	8.55	5.81	12.65	3.79	0.02	14.35	1.73
72	T	C	C	100.86	2.93	8.62	13.34	118.32	-158.51	-108.06	133.82	66.55	15.41	18.04	49.83	9.33	6.51	13.81	4.49	0.03	14.05	1.95
73	R	C	C	166.89	2.36	8.83	13.00	118.49	-157.22	-104.69	137.47	65.43	15.86	18.72	44.53	11.25	9.06	13.31	5.49	0.05	14.44	1.87
74	S	C	C	83.21	2.89	8.19	12.86	117.72	-143.11	-100.67	137.38	67.81	15.04	17.15	47.64	9.56	9.91	11.23	5.88	0.02	13.88	1.87
75	M	C	C	140.22	2.60	8.03	12.05	109.77	-153.86	-96.02	107.66	72.86	12.26	14.87	41.98	13.29	17.56	9.34	5.39	0.03	10.64	1.77
76	G	C	C	56.55	2.03	8.94	12.18	112.52	-84.38	93.72	155.13	76.32	13.66	10.02	38.96	17.20	20.82	4.81	4.73	0.02	11.87	1.59
77	L	C	C	125.77	2.47	6.88	11.09	114.20	-131.31	-94.17	131.46	69.36	18.53	12.11	48.47	10.75	10.42	5.66	6.09	0.03	16.19	2.39
78	A	C	C	84.45	2.38	7.39	11.57	116.19	-150.74	-100.91	134.78	73.54	16.67	9.79	61.68	3.26	8.90	5.36	3.51	0.01	14.51	2.78
79	Y	C	C	155.38	4.33	9.73	15.80	115.29	-151.37	-102.23	126.41	98.67	0.74	0.58	98.32	0.20	0.29	0.54	0.03	0.00	0.53	0.08