#	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	120.60	4.84	11.17	17.58	116.49	-169.57	-97.35	136.95	99.85	0.14	0.01	99.77	0.12	0.03	0.00	0.00	0.00	0.06	0.02
1	S	C	C	82.31	3.09	9.24	14.17	115.24	-144.63	-93.56	143.07	94.53	3.85	1.62	89.92	1.54	3.42	0.62	0.67	0.00	2.11	1.73
2	G	C	C	52.72	3.04	8.41	13.12	113.81	-137.42	-105.13	164.62	90.16	5.01	4.83	51.42	21.96	16.96	1.28	3.45	0.00	2.59	2.32
3	N	C	C	132.15	1.37	8.97	11.30	103.17	-87.59	-87.03	10.24	87.60	4.32	8.08	40.32	27.20	20.69	1.96	5.70	0.00	2.07	2.05
4	T	C	C	102.09	2.44	8.34	12.25	105.54	81.31	-90.76	28.12	85.91	2.78	11.31	31.43	26.75	28.57	2.94	7.59	0.01	1.28	1.44
5	G	C	C	52.25	2.90	9.79	14.22	108.76	-109.38	55.45	9.05	87.25	2.93	9.82	35.45	30.04	22.70	2.56	6.45	0.00	1.42	1.38
6	E	C	C	142.98	1.98	10.28	13.57	109.82	90.98	-90.43	112.85	83.36	7.36	9.28	50.10	24.63	9.13	3.98	4.91	0.02	3.73	3.52
7	R	C	C	121.06	6.45	8.87	16.99	118.13	-149.12	-96.86	139.42	89.58	7.12	3.30	62.52	25.70	1.62	2.50	1.00	0.00	3.82	2.85
8	S	C	C	57.08	3.39	12.53	17.28	116.55	-109.89	-72.23	157.51	83.20	13.96	2.84	81.28	1.99	0.46	2.66	0.32	0.00	4.72	8.58
9	F	H	H	144.09	2.90	11.84	16.30	92.49	-110.96	-59.57	-36.94	2.46	0.02	97.52	0.74	0.41	1.25	97.01	0.57	0.00	0.01	0.01
10	A	H	H	63.24	3.06	13.45	17.42	91.82	53.81	-64.59	-39.43	0.84	0.00	99.16	0.15	0.08	0.51	98.67	0.58	0.00	0.00	0.00
11	D	H	H	73.15	4.33	13.96	19.57	92.38	50.91	-66.29	-39.28	0.32	0.00	99.67	0.08	0.03	0.17	99.03	0.69	0.00	0.00	0.00
12	I	H	H	84.53	3.83	14.43	19.44	92.52	50.69	-65.27	-41.92	0.38	0.01	99.61	0.08	0.03	0.23	99.27	0.39	0.00	0.01	0.00
13	I	H	H	89.39	3.02	15.94	19.37	92.37	48.71	-65.52	-41.69	0.80	0.04	99.15	0.18	0.08	0.51	98.98	0.20	0.00	0.03	0.01
14	T	H	H	60.05	4.34	15.16	20.74	92.11	49.56	-64.90	-41.59	2.54	0.06	97.40	0.65	0.33	1.46	97.34	0.17	0.00	0.03	0.02
15	S	H	H	51.72	4.00	15.37	20.57	91.91	51.26	-64.42	-40.99	4.77	0.07	95.16	1.50	0.58	2.44	95.20	0.21	0.00	0.03	0.03
16	I	H	H	91.68	2.63	16.52	19.24	92.10	49.55	-65.07	-41.75	1.63	0.03	98.34	0.67	0.20	0.68	98.29	0.13	0.00	0.01	0.01
17	R	H	H	124.30	3.33	16.16	20.06	92.13	50.24	-64.73	-41.05	0.72	0.02	99.26	0.27	0.06	0.35	99.20	0.11	0.00	0.01	0.00
18	Y	H	H	113.32	4.53	15.21	20.78	92.14	50.39	-64.87	-41.48	0.31	0.01	99.68	0.09	0.02	0.17	99.65	0.06	0.00	0.01	0.00
19	W	H	H	138.33	2.81	15.77	19.10	92.12	50.24	-64.84	-41.47	0.18	0.01	99.81	0.04	0.01	0.11	99.79	0.05	0.00	0.01	0.00
20	V	H	H	79.06	2.85	15.90	19.09	92.24	48.87	-64.77	-42.17	0.24	0.01	99.75	0.03	0.01	0.16	99.72	0.06	0.00	0.01	0.00
21	I	H	H	81.43	4.26	14.88	20.25	92.49	47.77	-65.49	-41.56	0.61	0.02	99.37	0.08	0.04	0.43	99.27	0.16	0.00	0.02	0.00
22	H	H	H	102.38	4.40	14.24	19.87	92.78	48.51	-66.95	-37.30	2.23	0.01	97.76	0.19	0.13	1.81	97.40	0.46	0.00	0.00	0.00
23	S	H	H	67.48	2.84	14.88	18.26	95.08	48.71	-74.92	-34.55	10.77	0.02	89.21	0.46	0.55	9.90	87.84	1.20	0.02	0.01	0.01
24	I	H	H	100.72	2.90	14.97	18.30	102.11	36.77	-92.01	-36.13	37.47	0.10	62.43	1.15	2.32	33.58	60.95	1.81	0.07	0.03	0.08
25	T	H	H	64.49	5.23	14.04	20.56	101.21	36.62	-91.00	-31.76	35.18	0.15	64.66	3.59	3.22	27.94	62.96	2.09	0.05	0.05	0.12
26	I	H	H	80.58	5.32	14.03	20.74	94.20	58.91	-64.05	-42.86	10.88	0.06	89.06	4.02	2.39	4.48	87.67	1.38	0.01	0.02	0.04
27	P	H	H	72.82	3.10	16.01	19.73	92.51	49.99	-64.57	-39.72	7.04	0.05	92.91	3.04	0.76	3.02	91.52	1.61	0.00	0.02	0.02
28	S	H	H	56.30	3.49	16.05	20.28	92.52	51.04	-65.92	-39.68	2.10	0.02	97.88	0.71	0.24	1.09	96.28	1.66	0.00	0.01	0.01
29	L	H	H	78.46	5.76	15.10	21.95	92.49	50.99	-65.86	-40.58	1.29	0.03	98.68	0.30	0.14	0.79	97.64	1.09	0.00	0.02	0.00
30	F	H	H	108.09	4.92	16.09	21.68	92.37	49.32	-65.71	-41.25	2.06	0.11	97.83	0.39	0.21	1.46	96.97	0.84	0.02	0.08	0.02
31	I	H	H	95.60	2.40	17.64	19.77	92.14	48.87	-64.94	-41.65	1.75	0.06	98.19	0.32	0.17	1.20	97.85	0.40	0.01	0.04	0.01
32	A	H	H	52.61	3.56	16.86	21.17	91.87	50.42	-63.91	-41.02	2.14	0.02	97.84	0.28	0.16	1.64	97.34	0.56	0.01	0.01	0.00
33	G	H	H	25.28	7.34	14.74	23.67	91.93	51.13	-64.35	-40.85	2.83	0.02	97.15	0.28	0.17	2.25	96.54	0.73	0.01	0.01	0.00
34	W	H	H	130.16	4.26	16.54	21.50	92.02	50.81	-64.68	-41.22	1.79	0.02	98.18	0.24	0.15	1.35	97.07	1.16	0.01	0.01	0.00
35	L	H	H	92.94	2.37	17.20	19.41	92.06	50.31	-65.39	-41.09	2.45	0.06	97.49	0.34	0.25	1.89	96.07	1.37	0.03	0.04	0.01
36	F	H	H	95.35	4.62	15.12	20.94	92.74	48.67	-65.87	-40.85	5.32	0.25	94.43	1.05	0.74	3.86	92.15	1.89	0.10	0.15	0.07
37	V	H	H	65.35	7.34	13.27	21.88	92.95	49.79	-66.04	-39.66	10.00	0.50	89.50	2.13	1.47	7.09	86.03	2.61	0.20	0.30	0.17
38	S	H	H	75.20	2.87	14.69	18.05	92.87	53.11	-69.12	-28.84	20.42	0.33	79.25	2.54	2.26	16.13	76.26	2.35	0.14	0.17	0.15
39	T	C	T	82.86	2.79	13.99	17.29	97.21	49.98	-87.21	-10.75	62.51	0.39	37.09	2.92	6.92	50.99	36.05	2.61	0.07	0.16	0.28
40	G	C	T	43.37	5.30	12.90	19.64	96.63	-113.42	76.90	4.62	75.05	0.55	24.39	8.80	10.18	54.71	22.76	2.95	0.03	0.23	0.34
41	L	H	H	89.82	3.83	14.07	19.14	96.08	111.85	-73.07	-31.43	41.43	0.84	57.73	20.80	7.19	14.48	47.41	9.24	0.04	0.43	0.40
42	A	H	H	40.88	7.28	12.65	21.66	95.02	57.95	-67.88	-35.29	27.88	1.24	70.88	12.25	4.86	11.91	57.22	12.36	0.13	0.82	0.44
43	Y	H	H	110.83	6.01	12.78	20.26	94.23	59.14	-68.29	-36.14	15.14	1.28	83.58	5.74	3.07	7.44	67.61	14.65	0.20	0.92	0.36
44	D	H	H	96.45	3.09	13.03	17.20	95.11	56.25	-71.69	-31.13	15.73	1.10	83.17	5.61	2.78	8.14	68.62	13.59	0.16	0.79	0.31
45	V	H	H	104.78	2.73	12.37	15.92	97.00	50.94	-75.38	-32.48	21.55	1.02	77.43	4.59	3.98	13.84	65.35	10.80	0.39	0.61	0.44
46	F	H	H	140.71	2.98	11.00	15.07	101.48	40.51	-95.33	-1.11	39.43	1.54	59.03	6.26	9.11	26.06	51.03	5.34	0.57	0.68	0.95
47	G	C	T	52.06	2.65	12.16	16.03	108.16	-106.82	84.61	20.94	95.89	1.15	2.96	33.97	24.05	38.30	1.45	1.15	0.00	0.58	0.50
48	S	C	C	64.87	5.01	10.33	17.17	120.78	110.35	-98.39	145.61	98.15	1.71	0.14	66.90	30.91	0.60	0.05	0.08	0.00	0.75	0.72
49	P	C	C	84.61	5.30	11.15	18.03	113.39	-102.77	-68.66	147.79	97.45	2.37	0.18	80.82	15.84	0.66	0.06	0.11	0.00	0.91	1.61
50	R	C	C	133.17	5.10	10.50	17.43	115.03	-117.10	-88.10	131.77	98.62	1.20	0.19	91.34	6.87	0.35	0.07	0.09	0.00	0.41	0.87
51	P	C	G	91.21	4.99	10.31	16.96	99.97	-116.76	-63.65	-18.26	62.16	0.93	36.91	21.67	8.02	31.74	4.25	33.43	0.00	0.51	0.38
52	N	C	T	120.58	2.61	11.15	14.81	100.20	51.75	-85.94	6.03	59.62	1.17	39.21	12.66	9.63	37.20	5.51	33.85	0.01	0.68	0.47
53	E	C	G	120.52	3.75	11.26	16.64	109.77	94.13	-90.73	106.42	52.65	4.20	43.15	26.21	12.67	15.15	6.28	35.83	0.01	2.61	1.24
54	Y	C	C	124.99	6.41	10.18	18.11	118.00	52.79	-105.15	133.75	67.58	13.37	19.05	43.11	15.09	9.41	8.09	10.91	0.09	7.59	5.71
55	F	C	C	104.07	7.09	8.80	17.53	116.99	-146.79	-103.14	130.63	80.45	14.34	5.21	64.63	11.60	2.82	3.50	2.10	0.00	8.46	6.89
56	T	C	C	75.26	3.65	10.68	15.96	117.98	-161.66	-101.44	155.44	89.30	5.49	5.21	74.20	11.66	3.04	3.66	1.81	0.00	3.45	2.18
57	E	C	T	145.10	1.94	10.29	13.37	96.76	-110.00	-67.43	-33.03	58.12	1.22	40.66	13.33	14.59	30.36	19.17	21.05	0.07	0.60	0.82
58	S	C	T	84.93	1.63	9.98	12.31	98.32	57.68	-76.14	-15.45	59.22	0.96	39.82	14.37	12.21	32.36	18.21	21.66	0.05	0.45	0.69
59	R	C	C	132.86	5.21	8.43	15.10	99.27	60.09	-88.97	-0.80	54.06	2.42	43.52	25.98	11.35	17.13	19.03	24.02	0.04	1.16	1.30
60	Q	C	C	119.41	3.67	9.78	15.09	98.49	87.09	-75.72	-17.59	68.21	2.08	29.71	31.27	13.45	24.08	17.17	11.89	0.03	1.05	1.05
61	E	C	C	148.58	1.55	11.59	13.60	101.94	60.16	-87.06	5.59	77.13	3.38	19.49	33.14	17.87	27.17	9.66	8.90	0.02	2.06	1.19
62	V	C	C	85.90	5.21	8.60	15.63	116.46	101.33	-98.53	129.14	90.91	4.74	4.35	53.85	35.82	1.77	3.31	1.02	0.00	2.77	1.44
63	P	C	C	86.33	4.08	11.07	16.87	112.74	-113.51	-68.91	144.64	81.25	12.31	6.43	76.32	2.90	1.92	4.99	1.62	0.00	8.19	4.05
64	L	C	C	115.79	3.82	9.96	15.60	112.86	-136.22	-88.47	131.28	68.08	17.00	14.93	46.45	14.97	6.32	11.03	4.69	0.10	10.54	5.90
65	V	C	C	95.69	4.74	8.86	15.34	112.47	-139.75	-93.45	118.00	56.81	21.00	22.19	37.80	11.81	7.03	16.37	6.50	0.18	14.57	5.75
66	T	C	C	93.76	3.23	10.07	14.99	113.22	-163.34	-99.73	128.41	52.91	10.87	36.22	26.05	11.06	16.64	23.74	11.85	0.31	7.81	2.54
67	G	C	T	52.33	2.66	12.12	15.64	102.58	15.64	61.76	-9.66	56.14	3.46	40.40	19.15	12.74	25.07	24.62	14.79	0.26	1.96	1.40
68	R	C	H	148.73	3.45	11.35	16.04	97.74	85.44	-73.37	-26.70	49.32	2.62	48.05	20.11	11.47	18.61	31.88	15.19	0.16	1.43	1.14
69	F	C	H	110.02	6.25	10.02	17.79	104.28	59.57	-89.68	21.98	49.62	3.28	47.10	24.78	12.60	14.17	35.40	9.78	0.14	1.63	1.49
70	D	C	C	82.29	4.00	13.15	18.39	103.71	94.01	-80.34	8.03	60.32	1.13	38.54	45.65	8.16	5.58	36.98	2.68	0.00	0.51	0.44
71	S	H	H	57.57	4.50	12.58	18.42	97.55	63.70	-67.56	-37.86	17.63	0.30	82.07	11.01	3.14	4.06	79.87	1.67	0.01	0.13	0.11
72	L	H	H	96.53	3.23	13.09	17.36	93.64	51.66	-66.32	-39.47	3.86	0.06	96.08	1.55	0.60	1.74	94.77	1.28	0.01	0.03	0.01
73	E	H	H	110.29	1.91	14.32	16.27	92.36	51.32	-65.35	-40.08	2.32	0.05	97.64	1.02	0.31	1.03	96.40	1.21	0.00	0.03	0.01
74	Q	H	H	93.60	2.66	13.89	17.27	92.07	50.91	-65.39	-40.65	1.89	0.05	98.06	0.83	0.24	0.86	97.12	0.91	0.00	0.03	0.01
75	L	H	H	81.86	3.26	12.84	17.43	91.90	50.42	-64.62	-40.83	1.50	0.03	98.47	0.61	0.18	0.69	97.91	0.59	0.00	0.02	0.00
76	D	H	H	80.44	2.06	13.57	16.07	91.79	51.18	-64.51	-40.00	2.06	0.03	97.91	0.73	0.21	1.03	97.33	0.67	0.00	0.02	0.01
77	E	H	H	109.93	1.58	13.31	14.81	91.87	50.76	-64.88	-40.10	3.18	0.04	96.78	0.82	0.32	1.92	95.73	1.17	0.01	0.02	0.01
78	F	H	H	118.88	2.12	11.36	14.35	92.28	50.29	-66.36	-39.20	5.24	0.05	94.70	1.22	0.57	3.26	93.33	1.56	0.01	0.02	0.01
79	T	H	H	83.71	2.37	10.11	13.75	93.80	52.18	-69.37	-33.23	14.26	0.11	85.63	3.13	1.62	9.33	83.62	2.17	0.02	0.05	0.05
80	R	H	H	172.20	1.14	10.02	11.60	94.71	56.62	-71.71	-26.98	39.43	0.26	60.31	5.84	4.16	29.27	57.22	3.21	0.05	0.10	0.16
81	S	C	T	88.04	1.21	8.99	10.82	98.61	55.04	-82.12	-7.44	64.66	0.25	35.09	24.51	2.17	36.63	33.74	2.68	0.00	0.10	0.17
82	F	C	C	139.06	3.48	8.80	13.93	103.93	80.28	-84.75	30.95	99.93	0.03	0.05	99.78	0.09	0.09	0.03	0.00	0.00	0.01	0.00