#	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	A	C	C	79.68	3.10	11.46	16.12	112.34	-125.96	-82.15	139.03	99.91	0.06	0.03	99.79	0.10	0.06	0.01	0.00	0.00	0.03	0.01
1	K	C	C	148.01	2.88	8.61	13.40	112.86	-130.84	-87.58	130.95	86.35	3.81	9.84	76.38	2.20	8.79	4.08	4.45	0.00	2.36	1.75
2	S	C	C	79.21	3.47	8.00	13.31	113.93	-132.31	-93.62	133.77	82.66	7.28	10.06	54.76	13.50	14.41	3.33	6.74	0.00	4.89	2.38
3	R	C	C	177.24	1.90	9.98	13.39	113.41	-147.83	-95.26	127.36	78.30	10.16	11.54	48.12	17.14	13.52	3.88	7.45	0.02	7.23	2.63
4	G	C	C	47.11	4.52	9.56	15.79	120.19	-154.50	-123.33	163.04	79.37	11.51	9.12	49.19	19.40	11.36	3.61	5.34	0.02	8.10	2.97
5	T	C	C	91.28	5.05	10.26	17.16	117.60	-117.07	-101.00	138.49	77.98	13.68	8.34	58.87	12.37	6.38	4.50	4.00	0.02	10.53	3.33
6	K	C	C	135.20	3.86	11.65	17.42	116.26	-146.20	-99.16	135.52	73.92	16.84	9.24	50.10	17.33	6.55	5.83	3.68	0.05	13.25	3.21
7	K	C	C	138.86	4.25	11.36	17.66	114.09	-130.25	-90.61	129.46	67.75	22.46	9.79	49.14	12.11	5.87	6.76	3.65	0.05	17.29	5.14
8	V	C	C	85.92	6.15	10.38	18.24	119.44	-172.78	-113.65	141.55	68.19	20.59	11.22	49.89	11.40	5.81	8.98	3.27	0.05	15.03	5.57
9	G	C	C	39.20	4.55	13.58	19.28	123.89	10.51	102.88	-171.33	67.71	12.25	20.04	37.63	17.30	13.46	13.51	6.42	0.17	8.53	2.98
10	I	C	T	111.18	4.46	12.93	18.57	96.55	-46.74	-73.25	-22.37	60.22	8.37	31.42	15.40	15.50	30.70	19.60	10.26	0.67	5.32	2.55
11	V	C	T	80.35	6.46	11.92	19.61	99.69	58.57	-77.94	-24.33	58.79	8.96	32.25	13.33	13.86	32.17	18.81	12.10	0.97	5.52	3.24
12	G	C	C	37.37	6.80	12.00	20.13	99.46	63.18	-65.90	-37.24	59.03	7.98	32.99	25.10	14.46	20.82	14.30	17.55	0.19	4.65	2.92
13	K	C	T	143.84	2.74	13.38	17.01	96.84	49.70	-77.91	-18.58	61.45	8.77	29.78	16.54	14.41	31.46	13.08	15.62	0.42	5.65	2.82
14	Y	C	T	145.57	4.44	11.56	17.26	102.37	52.62	-94.19	4.78	63.31	12.40	24.29	19.40	15.64	29.79	11.54	11.45	0.58	7.62	3.97
15	G	C	C	41.74	5.16	11.77	18.39	119.37	87.79	-71.80	171.09	80.06	13.62	6.32	45.33	23.13	12.35	2.82	3.43	0.03	9.23	3.68
16	V	C	C	100.03	4.60	10.81	17.11	115.60	-77.57	-94.04	135.07	73.40	18.61	7.99	44.40	18.55	10.78	4.15	4.01	0.06	13.34	4.72
17	R	C	C	170.08	2.27	10.97	14.66	108.73	-150.10	-91.54	103.52	72.67	18.44	8.89	43.94	16.83	12.00	4.95	4.11	0.06	13.91	4.22
18	Y	C	C	143.81	4.36	9.75	15.75	115.75	103.89	-103.64	131.80	71.54	16.52	11.94	38.57	20.23	13.16	8.56	3.82	0.11	11.29	4.24
19	G	C	C	38.58	3.83	12.44	17.54	119.13	-28.35	92.18	163.86	79.70	5.93	14.37	53.03	16.42	9.39	12.85	2.84	0.02	3.64	1.83
20	S	H	H	73.92	3.16	11.24	15.69	95.79	-84.48	-67.07	-33.10	21.03	0.87	78.10	9.74	5.15	7.87	71.30	5.08	0.05	0.53	0.27
21	S	H	H	72.80	1.66	13.27	14.87	93.38	55.50	-66.30	-37.73	13.30	1.24	85.46	5.54	2.52	6.56	77.78	6.24	0.10	1.01	0.25
22	L	H	H	73.85	5.63	11.49	18.89	93.06	51.61	-66.98	-38.83	7.58	1.41	91.01	3.88	1.38	3.29	82.85	7.00	0.05	1.39	0.16
23	R	H	H	110.28	7.16	11.52	20.07	92.24	53.89	-64.88	-37.78	7.35	1.38	91.27	3.64	1.24	3.26	84.40	5.90	0.04	1.35	0.16
24	K	H	H	135.78	1.79	14.87	16.66	92.76	53.49	-66.40	-36.36	14.16	2.01	83.84	4.92	1.93	7.93	77.06	5.87	0.09	1.90	0.30
25	R	H	H	145.32	2.40	14.25	17.15	93.52	51.42	-72.69	-28.90	20.12	3.21	76.66	7.41	2.84	10.28	71.16	4.84	0.11	2.86	0.50
26	I	H	H	67.11	10.01	10.16	21.11	98.48	60.40	-74.91	-30.11	22.10	8.70	69.20	12.98	3.46	6.25	63.73	4.44	0.09	7.95	1.10
27	K	H	H	133.42	3.78	14.23	19.38	95.88	67.84	-69.89	-31.40	32.88	8.68	58.44	14.45	4.41	12.76	53.24	5.46	0.16	8.59	0.92
28	A	H	H	74.36	3.38	14.46	18.36	99.21	56.52	-78.61	-16.23	41.37	11.67	46.96	15.13	6.07	18.51	42.06	5.78	0.23	11.04	1.16
29	I	C	H	79.79	9.83	12.02	22.61	106.90	73.44	-87.31	66.52	42.60	23.74	33.67	26.35	8.13	6.93	30.71	3.97	0.11	21.82	1.97
30	E	C	E	105.29	7.06	15.06	23.18	111.00	-151.00	-85.57	116.95	37.83	37.40	24.77	28.49	3.40	4.01	23.58	3.11	0.03	34.27	3.10
31	I	C	E	81.45	10.23	13.82	24.72	108.31	134.37	-97.41	79.57	38.81	34.66	26.52	26.75	5.38	5.86	23.04	4.68	0.08	30.85	3.36
32	S	C	C	47.54	9.37	14.13	24.66	121.74	25.08	-110.81	140.36	53.96	23.94	22.10	37.59	6.90	8.14	17.40	5.54	0.06	21.77	2.60
33	Q	C	T	107.44	6.76	14.66	22.66	108.84	-159.82	-95.74	60.00	64.92	16.79	18.29	20.33	19.19	26.84	10.77	6.78	0.29	13.43	2.37
34	H	C	T	123.15	5.63	14.60	21.23	104.95	41.85	-92.87	67.41	68.38	18.15	13.48	25.16	18.12	26.98	6.87	5.68	0.10	14.86	2.24
35	A	C	C	40.54	9.95	13.04	24.34	120.41	145.97	-97.32	146.44	76.66	20.36	2.98	61.76	10.76	3.22	1.18	1.67	0.00	19.78	1.62
36	K	C	C	128.77	5.19	16.71	23.57	117.06	-129.46	-96.16	133.22	54.77	44.20	1.03	47.51	5.07	1.20	0.37	0.60	0.00	43.60	1.64
37	Y	E	E	57.04	14.11	13.08	27.96	131.38	-178.56	-134.01	152.10	14.99	84.53	0.48	12.42	2.82	0.58	0.23	0.27	0.00	81.74	1.94
38	E	E	E	111.05	4.33	19.64	24.75	117.83	-129.11	-103.37	130.62	10.09	89.75	0.16	9.12	0.62	0.07	0.15	0.06	0.00	71.38	18.61
39	C	C	C	13.49	19.13	8.87	28.03	109.56	-121.09	-74.60	124.00	90.14	9.82	0.04	90.37	0.65	0.09	0.01	0.02	0.00	7.91	0.96
40	K	C	T	145.39	2.27	17.12	19.97	93.11	-151.27	-71.10	-25.60	99.50	0.22	0.28	0.93	7.15	91.44	0.01	0.25	0.00	0.16	0.05
41	A	C	T	63.17	6.18	14.50	21.83	99.40	47.58	-81.72	-39.67	99.66	0.08	0.25	0.10	2.93	96.73	0.00	0.18	0.00	0.04	0.02
42	C	C	T	62.21	6.22	13.16	21.02	102.60	19.61	-107.52	-14.15	99.69	0.10	0.21	0.29	3.33	96.13	0.01	0.18	0.00	0.05	0.02
43	G	C	C	50.15	3.02	14.52	18.71	95.48	-120.62	79.81	7.10	98.94	0.90	0.17	81.93	10.51	6.48	0.04	0.12	0.00	0.54	0.38
44	K	C	C	95.43	5.89	13.73	21.54	120.41	137.18	-80.84	146.73	93.02	6.92	0.06	85.95	7.12	0.26	0.01	0.05	0.00	5.56	1.05
45	T	E	E	81.54	7.14	16.82	25.20	113.04	-123.41	-89.16	130.02	9.92	90.00	0.08	8.81	0.91	0.09	0.05	0.04	0.00	69.31	20.80
46	S	E	E	26.29	12.78	17.53	31.10	134.52	159.81	-138.71	161.55	28.27	71.68	0.06	25.62	1.90	0.13	0.01	0.04	0.00	71.96	0.34
47	V	E	E	24.82	18.78	16.33	35.12	124.86	-125.04	-117.71	137.74	15.72	84.18	0.10	14.37	0.99	0.13	0.03	0.06	0.00	81.36	3.05
48	K	E	E	94.65	7.66	22.57	30.76	122.91	-160.97	-115.96	137.09	15.45	84.46	0.09	14.27	0.88	0.12	0.02	0.05	0.00	83.84	0.81
49	R	E	E	79.04	15.86	13.18	28.83	110.84	-123.39	-80.83	123.39	22.08	77.75	0.17	20.15	1.38	0.25	0.05	0.11	0.00	76.40	1.66
50	E	E	E	110.93	4.54	18.76	24.29	100.65	176.92	-99.63	-22.74	46.12	53.58	0.29	33.26	11.65	1.07	0.06	0.23	0.00	52.74	0.98
51	V	E	E	66.30	4.83	19.31	24.83	136.95	8.46	-146.42	159.13	46.88	52.37	0.75	12.78	27.57	8.65	0.11	0.71	0.01	46.90	3.27
52	V	C	T	77.25	8.94	17.99	27.45	109.39	-78.08	-63.79	132.26	96.83	2.70	0.47	4.96	27.54	64.46	0.03	0.51	0.00	2.20	0.31
53	G	C	T	14.07	14.88	18.40	33.49	97.00	15.49	88.12	-1.75	95.01	4.78	0.21	5.73	27.52	61.23	0.00	0.28	0.00	5.06	0.16
54	I	E	E	37.51	11.32	20.63	33.58	121.43	106.55	-112.41	130.88	9.54	90.45	0.01	8.60	0.53	0.03	0.00	0.00	0.00	90.54	0.30
55	W	E	E	23.00	19.42	17.37	37.23	126.96	-171.42	-121.19	142.75	0.68	99.32	0.00	0.70	0.01	0.00	0.00	0.00	0.00	99.26	0.03
56	K	E	E	75.30	8.60	23.40	32.64	122.18	-157.59	-116.88	133.78	0.57	99.43	0.00	0.62	0.01	0.00	0.00	0.00	0.00	99.22	0.14
57	C	E	E	9.07	19.03	11.96	32.22	109.52	-128.13	-80.86	122.58	23.38	76.61	0.01	22.83	0.47	0.02	0.00	0.00	0.00	76.05	0.62
58	K	C	T	120.72	4.44	18.57	24.15	94.55	-158.54	-69.92	-29.79	98.85	0.30	0.85	0.44	3.49	94.83	0.01	0.98	0.00	0.20	0.05
59	A	C	T	66.28	4.67	16.20	21.95	97.18	48.06	-73.80	-40.55	98.72	0.05	1.23	0.08	1.57	97.12	0.01	1.19	0.00	0.02	0.01
60	C	C	T	58.81	6.61	13.75	22.00	101.00	20.62	-107.04	-8.83	99.21	0.06	0.73	0.27	1.98	96.91	0.01	0.78	0.00	0.03	0.01
61	A	C	C	80.38	3.88	14.98	20.56	94.02	-125.51	65.68	20.93	98.45	1.41	0.14	71.45	4.45	22.54	0.02	0.13	0.00	1.11	0.30
62	F	C	C	93.78	6.78	13.95	22.66	119.25	145.14	-83.07	145.94	78.91	21.08	0.01	78.26	0.77	0.04	0.00	0.01	0.00	20.52	0.41
63	T	E	E	82.66	6.93	16.33	24.98	121.32	-138.82	-106.18	136.33	0.63	99.37	0.00	0.67	0.01	0.00	0.00	0.00	0.00	98.54	0.78
64	F	E	E	57.50	15.54	12.75	28.40	127.37	-173.70	-125.44	142.89	1.69	98.30	0.00	1.65	0.05	0.00	0.00	0.00	0.00	98.17	0.13
65	A	E	E	70.48	5.29	18.27	24.47	118.35	-135.31	-99.74	143.09	33.59	66.23	0.18	24.66	6.86	1.24	0.02	0.18	0.00	66.63	0.41
66	G	C	C	36.01	6.64	17.40	25.17	131.60	28.09	119.14	-172.93	71.56	27.53	0.91	37.49	28.49	6.42	0.09	0.98	0.00	25.20	1.32
67	G	C	C	34.84	8.95	16.56	26.07	127.61	69.15	127.40	-175.85	80.61	16.32	3.07	48.52	22.89	9.92	0.39	3.14	0.01	12.18	2.94
68	A	C	S	63.08	9.48	15.99	25.73	97.85	-68.58	-78.75	-15.63	84.61	11.37	4.02	26.50	39.29	19.69	0.47	3.73	0.01	7.88	2.44
69	F	C	S	96.85	10.41	15.89	26.70	119.19	54.55	-108.53	132.35	78.93	17.25	3.81	32.51	34.25	13.43	0.81	3.05	0.02	10.29	5.63
70	A	C	C	59.43	7.82	18.29	26.93	117.31	-141.75	-107.14	125.67	85.62	12.63	1.75	65.84	17.16	2.46	0.76	1.12	0.00	8.38	4.27
71	P	C	C	61.42	13.82	13.02	26.64	111.16	-131.12	-71.26	140.97	86.34	8.75	4.90	61.82	15.62	8.62	2.24	2.86	0.00	5.80	3.02
72	T	C	C	85.51	6.01	15.77	22.95	114.19	-138.23	-96.93	125.05	85.16	9.13	5.71	60.04	17.30	7.38	3.14	2.78	0.01	4.91	4.43
73	T	C	C	68.80	7.68	12.98	21.77	117.64	-160.72	-107.26	150.34	85.13	6.10	8.77	62.59	17.95	4.22	6.42	2.63	0.01	2.95	3.24
74	S	C	H	74.03	4.62	14.23	19.78	96.35	-110.68	-67.37	-33.75	55.81	2.49	41.70	29.95	11.87	14.79	29.98	10.99	0.04	1.31	1.06
75	A	H	H	67.83	4.72	13.20	19.11	95.39	57.99	-68.11	-33.71	46.69	1.80	51.51	16.75	9.48	21.22	37.18	13.47	0.13	1.01	0.77
76	G	H	H	39.15	6.05	12.92	20.32	95.81	54.48	-72.34	-31.00	42.35	3.29	54.36	21.21	8.34	13.90	40.12	13.23	0.12	2.04	1.04
77	A	H	H	60.36	6.48	12.19	20.02	98.99	64.75	-74.96	-25.18	39.27	5.88	54.85	27.07	7.32	6.61	46.18	7.37	0.05	4.05	1.34
78	H	H	H	126.81	3.92	13.62	18.51	101.65	61.84	-84.19	-10.12	35.92	10.77	53.31	25.28	6.43	6.11	46.68	5.27	0.09	8.13	2.01
79	S	H	H	71.18	4.60	11.54	17.62	103.55	63.73	-82.44	6.83	34.57	9.03	56.40	23.50	6.26	6.45	49.37	5.65	0.07	7.30	1.39
80	N	H	H	109.81	3.63	11.43	16.41	102.26	58.80	-84.84	9.79	37.50	7.24	55.27	24.22	6.62	7.85	48.18	6.03	0.07	5.87	1.15
81	S	H	H	72.28	4.32	10.24	16.20	107.82	71.78	-88.10	90.05	41.86	6.84	51.29	25.76	7.57	9.46	44.10	6.44	0.07	5.46	1.15
82	I	H	H	118.10	3.47	9.30	14.36	107.39	85.82	-91.57	48.49	45.27	8.54	46.19	25.71	9.80	10.98	39.46	5.82	0.12	6.57	1.53
83	T	C	H	98.69	2.96	7.80	12.51	109.92	71.88	-91.74	107.92	52.51	11.36	36.13	29.45	11.32	12.31	31.07	5.04	0.13	8.53	2.16
84	R	C	C	175.46	1.82	7.93	11.37	113.22	-150.71	-94.50	127.23	67.88	8.75	23.36	51.03	2.79	12.71	21.28	3.23	0.01	6.39	2.56
85	Q	C	C	134.48	2.71	10.26	14.71	112.31	-143.81	-91.63	123.80	99.68	0.21	0.11	99.55	0.11	0.12	0.07	0.01	0.00	0.12	0.02