#	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	102.48	8.21	12.34	21.58	116.91	-148.59	-93.91	135.11	99.69	0.27	0.04	99.55	0.16	0.08	0.02	0.01	0.00	0.14	0.05
1	S	C	C	69.71	5.32	11.32	18.22	114.60	-139.30	-90.79	143.14	91.56	5.12	3.31	84.28	1.85	5.77	1.83	1.00	0.00	2.95	2.31
2	S	C	C	75.19	4.83	11.18	17.52	105.54	-140.45	-85.96	57.00	89.82	4.80	5.38	54.77	25.14	10.05	3.17	2.06	0.01	2.39	2.42
3	D	C	C	74.19	6.27	12.52	20.29	108.88	69.42	-85.39	112.15	90.94	1.49	7.57	70.45	17.67	2.41	7.11	0.98	0.00	0.64	0.74
4	P	C	H	60.51	8.99	13.73	24.10	94.66	-148.73	-65.16	-27.74	53.42	1.52	45.06	30.88	6.04	16.45	39.38	5.73	0.01	0.98	0.53
5	F	H	H	69.40	13.09	12.17	25.45	95.22	55.48	-71.68	-29.56	46.10	3.50	50.40	27.16	6.30	13.70	41.75	7.46	0.06	2.66	0.92
6	K	H	H	116.70	4.75	15.40	21.23	95.46	61.81	-68.06	-35.91	35.89	5.78	58.32	25.42	6.13	6.19	47.81	8.60	0.05	4.68	1.12
7	K	H	H	119.84	3.74	15.89	20.30	96.41	53.59	-72.49	-33.35	34.20	8.62	57.18	24.87	5.43	5.68	48.74	6.38	0.06	7.24	1.61
8	V	H	H	51.47	11.69	12.67	24.96	96.19	53.46	-72.12	-36.95	36.51	9.28	54.21	27.84	4.96	4.94	48.28	4.21	0.03	8.10	1.64
9	E	H	H	92.51	8.76	14.35	23.80	96.62	55.97	-68.28	-35.55	39.56	7.54	52.90	30.09	4.55	5.71	47.44	4.09	0.02	6.76	1.34
10	R	H	H	137.39	4.19	15.51	20.52	96.42	54.36	-71.19	-28.77	42.41	6.20	51.39	28.49	5.83	8.67	45.30	5.07	0.04	5.28	1.32
11	D	C	H	76.52	6.51	14.96	22.47	98.31	54.75	-80.71	-14.58	48.84	5.50	45.66	31.03	6.22	11.50	40.67	4.94	0.03	4.27	1.33
12	Y	C	H	85.90	11.77	12.18	24.31	103.20	66.52	-84.78	-3.08	51.35	7.43	41.21	32.21	7.57	11.74	36.08	5.01	0.09	5.38	1.93
13	H	C	C	102.80	7.09	13.54	21.71	103.76	73.36	-86.04	7.69	57.17	6.32	36.51	33.39	9.66	13.93	33.10	3.88	0.08	4.23	1.74
14	N	C	C	89.73	4.72	13.41	19.28	105.63	71.00	-85.91	61.47	67.55	3.68	28.76	40.39	11.41	14.58	26.59	3.57	0.02	2.38	1.05
15	E	C	H	111.41	6.35	11.87	19.45	99.70	89.53	-76.38	-10.02	55.19	2.60	42.21	27.34	11.79	16.69	36.29	5.43	0.05	1.60	0.81
16	R	C	H	146.07	4.07	13.23	18.32	99.29	63.72	-77.46	-19.04	51.68	2.58	45.74	23.57	11.06	17.68	39.57	5.65	0.06	1.63	0.77
17	S	C	H	58.05	6.07	13.28	20.61	102.04	63.77	-81.63	-9.34	51.98	5.02	43.00	30.26	10.38	12.25	36.91	5.49	0.05	3.48	1.17
18	V	H	H	68.39	9.15	13.32	23.46	103.53	81.89	-84.47	-8.21	43.28	10.32	46.40	27.84	8.54	8.31	40.48	4.76	0.08	8.35	1.64
19	H	H	H	88.27	9.76	14.53	25.00	105.84	83.15	-84.51	58.62	38.11	12.71	49.18	25.15	6.76	7.18	42.94	5.19	0.07	11.23	1.48
20	K	H	H	110.50	7.14	17.00	24.80	104.32	80.23	-81.71	11.72	35.21	14.22	50.57	21.95	6.34	7.75	42.88	6.47	0.09	13.15	1.36
21	H	H	H	87.71	10.25	17.09	27.65	107.15	63.39	-89.57	70.07	34.22	17.06	48.72	20.81	6.04	8.05	40.62	6.96	0.13	15.82	1.56
22	F	H	H	71.72	14.24	16.17	30.22	108.83	76.16	-91.67	92.51	34.89	19.33	45.78	21.68	5.89	8.07	38.00	6.98	0.16	17.21	2.02
23	A	C	H	42.89	12.29	17.34	29.85	112.04	60.33	-94.70	124.10	46.70	18.17	35.12	24.56	7.70	14.33	29.79	5.78	0.19	15.55	2.10
24	S	C	C	53.35	10.51	18.58	29.27	111.63	-154.96	-99.82	105.83	59.42	16.50	24.08	26.49	13.08	20.34	18.94	5.32	0.21	13.52	2.09
25	Y	C	C	64.83	14.93	16.10	31.35	119.82	110.46	-106.30	134.42	78.54	13.71	7.75	41.39	32.87	4.66	6.50	1.68	0.05	10.71	2.14
26	P	C	C	58.12	10.32	19.49	30.24	109.66	-115.67	-70.53	139.41	71.85	12.99	15.16	52.19	10.44	7.79	12.76	3.47	0.02	11.65	1.68
27	L	C	C	53.48	16.33	15.47	31.25	110.58	-146.87	-88.65	123.08	52.29	19.91	27.81	33.61	9.91	8.35	22.32	6.04	0.09	17.39	2.29
28	K	C	E	101.62	9.39	19.85	29.27	110.32	-159.77	-92.22	106.95	41.00	27.64	31.36	25.16	8.67	7.20	25.35	6.06	0.15	25.55	1.86
29	F	E	E	63.02	15.03	17.05	31.90	112.60	58.56	-95.18	120.03	28.33	37.38	34.30	18.47	4.95	5.03	28.35	6.22	0.15	34.97	1.85
30	W	E	E	86.30	13.70	18.21	31.85	108.42	-161.61	-93.44	86.92	24.44	37.85	37.71	15.88	3.82	4.69	31.43	6.37	0.16	35.97	1.68
31	W	H	H	89.56	12.55	18.54	31.15	110.99	120.83	-91.77	121.06	29.57	31.31	39.12	14.61	5.63	9.60	30.68	8.41	0.49	28.69	1.89
32	G	C	H	22.85	12.66	18.70	31.32	106.99	41.73	-66.66	-2.69	43.97	18.42	37.61	20.36	8.16	15.59	29.11	8.17	0.33	16.69	1.59
33	L	C	H	52.16	15.43	15.24	30.34	104.65	94.94	-83.46	37.67	43.36	13.40	43.24	19.22	9.55	15.30	32.38	10.12	0.36	11.26	1.81
34	N	C	H	92.79	6.66	18.33	25.57	102.28	62.56	-80.28	-10.98	50.08	10.13	39.79	17.20	10.24	22.57	29.36	10.34	0.35	8.47	1.48
35	K	C	H	99.58	8.90	17.91	27.09	103.43	59.28	-89.91	1.41	49.63	13.95	36.42	19.50	10.48	20.02	25.51	10.53	0.29	11.92	1.75
36	F	C	C	48.94	17.88	13.02	30.22	113.22	88.79	-95.60	119.00	44.46	22.44	33.09	27.75	8.80	8.67	24.94	7.96	0.13	19.54	2.21
37	E	C	E	107.72	7.00	19.36	26.88	104.02	71.18	-84.09	-8.58	44.28	26.27	29.44	22.27	9.80	12.55	22.08	7.01	0.20	24.43	1.66
38	T	C	E	61.77	9.75	18.65	28.75	111.18	44.84	-99.92	102.19	39.12	35.16	25.72	18.85	8.59	12.55	18.51	6.76	0.31	32.55	1.88
39	I	E	E	34.46	19.33	14.03	32.76	117.42	-158.63	-101.15	127.56	35.09	44.72	20.19	24.16	6.15	4.89	16.35	4.18	0.12	42.28	1.88
40	Q	E	E	93.98	8.31	20.69	29.33	112.65	-164.42	-97.80	123.11	38.44	45.03	16.53	18.13	7.82	13.02	12.72	4.27	0.30	41.99	1.76
41	G	E	E	26.20	11.56	20.07	31.58	117.84	9.18	121.95	154.01	41.59	43.70	14.70	16.56	10.25	15.90	9.35	4.56	0.24	41.84	1.30
42	I	E	E	43.77	17.85	16.96	34.24	119.44	-116.96	-105.32	130.87	28.07	57.78	14.15	19.93	4.88	3.66	10.26	3.71	0.05	56.23	1.28
43	H	E	E	64.54	12.93	20.20	33.28	122.02	-169.79	-114.05	135.51	22.01	66.76	11.23	15.30	3.91	3.11	8.20	2.97	0.07	65.24	1.19
44	S	E	E	38.86	13.01	18.64	31.99	122.24	-152.58	-111.38	140.17	23.63	67.10	9.26	17.16	3.69	2.92	5.88	2.93	0.06	66.38	0.98
45	I	E	E	53.71	13.44	15.07	29.24	117.60	-154.04	-106.33	127.75	29.05	62.14	8.82	20.26	5.26	4.16	5.91	2.96	0.14	59.60	1.69
46	L	C	E	92.10	7.39	14.87	23.32	113.39	-150.24	-96.37	122.94	53.14	38.52	8.34	25.49	12.50	16.24	4.56	3.42	0.15	35.76	1.87
47	G	C	T	50.74	3.80	14.62	19.39	107.73	-7.54	77.17	-74.89	81.43	7.67	10.89	20.75	21.45	39.53	7.04	3.77	0.04	6.28	1.15
48	N	C	T	108.18	4.62	13.68	19.45	105.19	-7.81	-88.13	49.84	76.95	6.07	16.98	22.62	21.98	32.92	11.57	5.13	0.07	4.40	1.31
49	A	C	C	65.32	7.24	13.93	22.08	102.99	124.85	-81.94	6.84	55.26	21.91	22.83	23.33	16.05	17.33	16.46	6.09	0.26	17.94	2.53
50	A	C	E	47.96	10.75	14.53	25.83	109.48	112.39	-88.58	112.26	42.71	36.24	21.06	25.12	9.90	8.64	17.05	4.77	0.14	32.21	2.16
51	D	E	E	70.71	9.99	18.40	28.53	110.38	-144.76	-91.20	108.11	36.07	44.53	19.40	26.27	5.31	4.22	17.18	3.38	0.04	42.22	1.37
52	L	E	E	48.88	14.70	17.90	32.60	113.84	-153.16	-97.79	125.68	22.50	58.13	19.37	16.82	2.85	1.97	18.85	2.15	0.01	56.36	1.00
53	V	E	E	40.25	14.88	20.45	35.01	112.57	-163.01	-97.75	126.52	12.88	67.50	19.62	9.09	1.98	1.29	20.04	1.76	0.00	65.09	0.77
54	V	E	E	37.26	16.64	20.21	36.13	111.50	-151.57	-95.63	127.25	14.50	62.36	23.14	9.50	2.56	2.04	22.19	2.72	0.00	60.32	0.66
55	S	E	E	35.21	14.13	21.02	34.72	111.08	-145.28	-94.64	123.13	24.90	50.62	24.49	15.80	4.31	4.29	22.26	3.66	0.01	48.92	0.75
56	T	E	E	44.58	14.59	20.20	34.09	107.18	-140.58	-94.41	34.14	32.96	38.60	28.44	20.59	6.11	6.66	23.76	5.40	0.06	36.14	1.27
57	L	C	E	53.80	15.40	19.03	33.63	107.61	121.30	-89.60	74.82	38.18	32.43	29.39	22.65	7.84	8.88	20.58	8.72	0.19	28.99	2.15
58	S	C	E	45.85	12.11	20.59	32.41	107.53	114.03	-90.80	60.05	48.56	28.56	22.88	23.17	11.38	15.70	13.48	8.85	0.25	24.88	2.29
59	F	C	C	67.66	15.14	18.09	32.78	110.72	58.36	-95.48	107.22	54.94	26.71	18.35	26.73	14.31	16.19	9.93	7.86	0.34	21.01	3.64
60	I	C	C	47.79	14.84	17.05	32.10	115.33	-156.38	-99.94	125.28	79.48	15.97	4.55	49.38	25.66	4.85	2.84	1.88	0.02	11.90	3.47
61	P	C	T	68.88	9.58	17.93	28.09	109.71	-110.95	-65.64	138.27	80.93	8.94	10.13	25.07	12.17	44.68	4.19	5.29	0.04	6.97	1.59
62	G	C	T	45.22	6.67	18.38	25.45	99.49	20.98	82.77	-3.16	79.42	8.74	11.83	21.72	13.72	45.17	4.77	6.16	0.08	6.62	1.76
63	V	C	C	43.41	16.10	12.51	28.33	110.75	111.25	-91.08	105.76	67.53	19.14	13.34	41.75	13.71	12.81	5.79	7.29	0.11	13.88	4.68
64	Q	C	C	105.47	7.24	17.39	25.28	111.51	-163.85	-94.34	120.65	70.34	19.59	10.06	33.87	15.00	23.26	5.11	4.58	0.12	14.30	3.76
65	G	C	C	38.18	8.92	16.78	26.01	111.91	29.85	103.78	-9.06	76.90	14.38	8.73	30.12	22.34	26.21	3.72	4.39	0.08	10.77	2.37
66	R	C	C	114.75	10.13	16.06	26.47	111.39	-25.44	-93.32	115.59	71.17	17.50	11.33	37.12	19.65	15.85	5.84	5.05	0.11	12.87	3.50
67	N	C	C	79.80	10.22	16.19	26.68	108.89	56.97	-94.13	96.65	68.63	18.90	12.47	34.84	19.48	15.71	6.86	5.21	0.11	14.93	2.87
68	N	C	C	76.16	10.24	16.80	27.42	108.74	98.90	-96.57	73.01	59.31	24.14	16.54	35.82	14.04	10.41	10.32	6.04	0.13	20.35	2.89
69	A	C	E	41.90	12.65	15.64	28.60	111.57	165.35	-92.73	119.55	44.47	33.58	21.95	28.91	9.13	7.33	14.44	7.25	0.15	30.40	2.39
70	S	E	E	51.26	9.48	17.21	27.40	113.53	-158.41	-97.93	128.24	34.51	44.62	20.88	22.32	6.80	6.41	14.22	6.40	0.15	41.76	1.94
71	Y	E	E	97.21	11.48	14.84	26.81	111.08	-160.24	-96.83	108.68	29.23	49.81	20.97	19.12	5.80	5.56	15.76	5.65	0.20	45.61	2.29
72	I	E	E	77.19	9.88	14.27	25.01	111.49	80.73	-98.57	119.89	35.74	43.14	21.12	22.79	6.70	6.88	16.50	4.81	0.28	39.61	2.44
73	E	C	T	116.91	6.06	15.17	22.04	104.49	-39.98	-79.80	63.84	55.65	21.07	23.28	18.83	10.69	26.29	17.73	5.45	0.28	18.89	1.84
74	N	C	T	100.31	6.68	15.25	22.63	101.30	2.90	-65.80	28.18	69.04	10.90	20.06	18.97	14.27	35.88	14.73	5.23	0.17	9.46	1.28
75	S	C	E	47.80	9.93	15.05	25.84	117.82	112.37	-106.38	141.51	55.87	30.45	13.67	27.13	13.01	16.38	9.36	4.13	0.19	27.94	1.86
76	I	E	E	63.68	13.70	14.25	28.32	117.31	-154.91	-104.83	129.85	34.34	55.76	9.90	24.15	6.50	3.99	8.01	2.46	0.09	52.79	2.01
77	R	E	E	112.60	9.15	18.90	28.51	117.86	-159.12	-104.38	130.00	27.51	62.91	9.58	20.77	3.68	2.45	7.95	2.10	0.04	61.59	1.42
78	V	E	E	46.59	15.48	15.35	30.98	118.17	-161.46	-105.85	130.45	25.84	62.95	11.21	19.38	3.54	2.41	9.09	2.39	0.05	61.90	1.23
79	T	E	E	52.94	11.23	17.85	29.76	118.57	-168.16	-109.49	136.15	30.32	58.64	11.04	22.17	4.74	3.22	8.21	2.72	0.07	57.60	1.26
80	R	E	E	103.43	10.63	18.33	29.35	118.92	-148.43	-107.31	133.13	36.10	52.91	11.00	24.84	6.84	4.78	7.64	3.14	0.09	51.15	1.53
81	F	E	E	64.34	15.24	14.02	29.47	117.65	-153.91	-101.29	131.38	43.74	46.46	9.80	32.27	6.38	5.01	6.90	3.13	0.06	43.84	2.41
82	R	C	E	125.05	7.67	17.73	26.24	116.70	-162.57	-106.02	131.82	55.99	36.30	7.71	30.09	11.44	15.91	4.57	3.05	0.10	32.52	2.33
83	G	C	C	38.70	7.64	16.55	24.87	109.40	15.55	88.73	25.47	72.29	21.03	6.68	30.97	20.36	22.70	3.04	3.14	0.07	17.84	1.89
84	F	C	C	84.13	12.57	12.09	24.95	115.57	-149.51	-93.91	134.21	68.10	20.45	11.45	45.17	13.61	9.64	6.85	4.57	0.08	16.31	3.77
85	D	C	C	80.28	6.45	13.71	21.45	112.98	-150.57	-95.08	129.52	72.05	13.03	14.91	49.53	12.05	10.60	9.02	5.97	0.02	10.28	2.54
86	D	C	C	88.09	6.49	10.98	18.88	105.95	-157.26	-88.35	57.93	66.25	6.58	27.16	35.21	13.53	18.92	11.29	14.84	0.06	4.48	1.67
87	K	C	C	139.46	3.40	10.44	15.38	103.66	79.34	-83.66	18.75	66.43	5.26	28.31	27.71	14.47	26.02	11.66	15.07	0.15	3.21	1.71
88	T	C	C	93.72	3.73	8.84	14.25	105.80	84.37	-89.30	53.71	72.25	3.62	24.13	50.35	3.89	19.77	11.48	10.81	0.01	2.41	1.28
89	Q	C	C	122.68	4.09	10.76	16.48	109.68	133.61	-88.61	105.37	99.73	0.11	0.15	99.36	0.22	0.23	0.10	0.02	0.00	0.06	0.02