#	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	108.57	7.57	12.43	21.09	113.50	-167.43	-93.79	130.39	99.66	0.29	0.04	99.42	0.24	0.09	0.02	0.01	0.00	0.16	0.05
1	G	C	C	46.11	4.79	11.05	17.43	122.59	131.38	108.84	176.51	92.47	6.28	1.24	87.57	1.66	3.48	0.49	0.51	0.00	3.59	2.70
2	N	C	C	125.24	2.15	9.81	13.36	110.28	-81.29	-93.22	106.36	89.28	8.10	2.63	58.71	20.10	10.53	0.81	1.88	0.00	4.62	3.34
3	C	C	C	92.94	3.68	8.29	13.87	115.01	-163.13	-96.51	128.87	86.97	8.07	4.96	54.34	23.75	9.23	1.88	3.07	0.01	4.60	3.12
4	N	C	C	121.46	2.42	9.51	13.59	110.44	-155.32	-92.07	121.70	84.87	6.94	8.19	59.06	15.01	10.70	3.42	4.82	0.01	4.19	2.80
5	G	C	C	49.67	4.25	9.52	15.43	115.70	-154.72	-99.53	158.92	82.65	5.69	11.67	57.65	14.43	10.27	4.86	6.99	0.00	3.29	2.51
6	A	C	C	79.95	3.67	9.70	15.00	112.59	-105.95	-86.44	134.23	79.59	6.19	14.22	54.95	16.18	8.41	6.36	7.90	0.01	3.73	2.46
7	S	C	C	79.88	3.31	10.14	15.17	113.57	-128.90	-88.30	134.27	80.64	6.76	12.60	60.48	12.76	7.17	5.90	6.86	0.01	4.24	2.59
8	K	C	C	142.05	3.87	9.27	14.94	111.72	-148.11	-90.49	122.04	83.23	7.51	9.26	66.20	10.42	6.10	4.92	4.45	0.00	4.51	3.39
9	S	C	C	75.18	4.19	9.16	15.06	114.20	-155.61	-91.61	140.30	88.30	5.82	5.88	70.00	10.56	7.36	2.84	3.10	0.00	3.52	2.63
10	N	C	C	123.68	2.30	10.42	14.09	107.63	-146.38	-90.66	87.80	92.48	4.40	3.12	68.30	18.40	5.51	1.37	1.82	0.00	2.31	2.29
11	Q	C	C	114.32	3.99	8.90	14.82	115.84	129.48	-92.52	134.14	97.00	1.70	1.29	74.35	20.81	1.91	0.69	0.60	0.00	0.86	0.78
12	P	C	C	95.87	3.69	9.55	15.05	110.73	-109.32	-69.69	144.95	93.91	1.14	4.95	74.61	9.83	9.38	1.86	3.09	0.00	0.64	0.58
13	D	C	C	108.15	3.25	9.21	14.18	107.81	-140.55	-88.62	110.90	85.49	2.53	11.97	61.02	11.30	12.67	4.27	8.02	0.00	1.37	1.34
14	S	C	C	78.40	3.57	9.10	14.35	108.88	-164.66	-90.54	91.04	77.00	3.82	19.19	47.02	15.24	14.69	6.09	13.19	0.01	2.15	1.61
15	S	C	C	83.10	2.78	9.68	13.99	107.51	123.53	-88.48	82.88	74.86	5.68	19.46	47.64	15.40	12.00	6.40	13.07	0.01	3.60	1.88
16	R	C	C	150.52	4.14	9.03	14.99	112.07	-159.47	-91.47	123.39	77.30	9.38	13.31	57.35	12.89	6.76	6.21	7.29	0.01	5.86	3.63
17	V	C	C	99.40	4.22	9.59	15.58	114.75	-151.85	-95.67	131.36	86.18	7.86	5.95	72.49	9.75	3.60	3.66	2.39	0.00	5.17	2.94
18	T	C	C	98.66	3.55	10.00	15.45	113.72	-147.38	-93.73	129.80	89.16	6.89	3.95	75.23	10.76	2.79	2.66	1.45	0.00	4.20	2.91
19	Q	C	C	109.43	4.66	10.12	16.62	117.44	-148.57	-97.55	136.36	94.94	3.03	2.03	80.12	13.73	1.17	1.62	0.53	0.00	1.78	1.05
20	P	C	C	86.34	4.11	11.50	17.14	111.99	-108.24	-67.64	148.42	88.40	2.76	8.85	81.68	4.12	3.01	6.09	2.39	0.00	1.70	1.00
21	A	C	C	68.12	6.99	9.73	17.91	100.50	-115.59	-68.79	-23.05	57.35	5.06	37.59	43.80	6.60	7.17	17.60	19.99	0.00	3.50	1.33
22	A	C	C	74.71	3.63	11.33	16.44	100.19	60.69	-77.62	-6.03	49.49	8.94	41.57	34.64	7.89	7.68	17.30	23.94	0.02	7.05	1.46
23	E	C	C	120.42	4.31	12.36	18.01	101.04	62.31	-84.33	7.46	44.33	13.87	41.80	31.82	6.92	6.76	16.53	24.57	0.04	11.50	1.87
24	F	C	C	92.78	10.88	9.63	20.97	108.37	74.33	-87.95	104.45	55.77	18.08	26.15	41.42	8.07	6.02	15.46	11.18	0.08	14.98	2.80
25	R	C	C	145.26	4.45	14.71	20.55	109.85	83.03	-91.39	113.04	64.19	21.10	14.71	50.05	7.75	4.94	11.16	4.46	0.04	18.67	2.94
26	R	C	C	122.37	9.28	12.28	22.30	109.90	-162.21	-92.46	102.06	64.42	24.37	11.21	51.56	7.28	3.97	8.78	3.32	0.03	21.67	3.39
27	V	C	C	91.29	5.36	15.41	22.09	117.93	-161.05	-106.27	130.81	67.82	24.32	7.86	55.65	7.65	2.87	6.58	2.19	0.02	20.65	4.38
28	A	C	C	47.24	13.00	10.89	24.00	114.29	-120.60	-73.06	143.75	77.75	16.12	6.13	67.87	6.19	2.64	4.75	1.83	0.00	13.47	3.24
29	H	C	C	113.28	5.88	14.70	21.79	113.26	-123.36	-86.32	137.14	83.43	8.34	8.23	71.44	7.30	4.22	5.86	2.68	0.00	5.90	2.59
30	S	C	C	76.98	5.46	12.97	19.92	102.17	-118.50	-79.11	5.49	67.08	4.02	28.90	32.84	14.00	21.25	13.52	14.48	0.05	2.25	1.61
31	S	C	T	64.94	5.90	13.86	20.89	106.11	85.45	-92.15	26.30	64.16	3.71	32.13	25.77	13.82	25.78	14.55	16.35	0.12	1.98	1.64
32	L	C	C	90.11	8.39	14.30	23.41	100.07	64.85	-78.72	-8.39	59.00	6.10	34.90	22.42	16.58	21.40	16.59	16.99	0.26	3.33	2.42
33	Y	C	H	98.11	10.87	15.34	26.52	102.50	76.43	-88.70	-1.72	52.83	7.30	39.87	23.46	15.32	16.13	27.07	10.70	0.46	3.81	3.05
34	G	H	H	26.62	11.73	16.29	28.15	101.90	15.54	-36.94	-59.79	37.98	4.18	57.84	13.98	9.16	16.01	37.02	19.36	0.44	2.63	1.41
35	R	H	H	114.29	9.63	17.91	27.68	95.40	28.89	-73.84	-26.67	32.04	4.83	63.13	9.41	6.68	16.18	41.69	20.71	0.66	3.37	1.30
36	Y	H	H	104.67	9.98	18.85	28.89	97.95	59.36	-81.48	-16.92	28.98	9.31	61.70	9.94	6.58	13.82	41.21	18.59	0.96	6.87	2.04
37	N	H	H	55.30	13.27	18.60	31.67	104.03	63.87	-90.70	6.92	38.93	16.15	44.92	18.19	9.80	13.97	32.54	9.35	1.14	10.69	4.32
38	C	C	C	27.50	17.40	15.72	32.92	113.66	106.46	-93.56	125.97	55.82	18.30	25.88	31.94	11.14	13.85	19.47	6.06	0.35	12.58	4.61
39	K	C	T	107.41	8.78	21.63	30.33	100.63	-152.32	-82.20	-4.05	60.66	13.16	26.18	20.04	18.36	23.90	17.31	7.50	0.69	9.15	3.05
40	C	C	C	38.75	13.47	18.40	31.99	112.75	70.62	-99.68	122.60	57.26	15.19	27.54	23.09	16.22	19.88	16.70	9.26	0.62	10.94	3.28
41	C	C	C	37.82	14.89	18.20	32.84	103.64	-150.85	-89.17	17.12	47.76	21.05	31.19	21.26	12.38	16.22	17.11	12.69	0.59	16.29	3.46
42	W	C	E	85.98	13.06	18.28	31.30	100.29	91.71	-78.57	-7.21	42.04	26.57	31.38	16.93	10.68	17.05	17.28	13.00	0.86	20.57	3.63
43	F	C	C	76.99	12.33	16.35	28.91	105.86	67.37	-90.69	36.76	44.50	27.95	27.55	22.03	10.89	13.86	16.07	10.60	0.77	21.29	4.49
44	A	C	C	57.85	8.66	16.16	25.45	103.85	68.66	-82.48	4.40	64.35	16.23	19.42	23.80	22.16	19.83	11.58	6.64	0.40	12.63	2.96
45	D	C	C	78.12	8.19	14.51	23.66	112.26	66.64	-100.76	108.08	82.13	10.10	7.77	44.85	24.45	13.69	3.47	3.81	0.05	7.05	2.64
46	T	C	T	86.42	6.64	15.65	23.32	100.51	-151.58	-83.87	-1.43	89.26	5.43	5.31	13.06	25.89	50.95	0.89	4.08	0.01	4.07	1.04
47	N	C	T	83.23	8.43	17.01	25.99	98.92	57.38	-85.48	9.81	84.59	13.11	2.30	17.51	19.86	47.61	0.24	2.20	0.00	11.89	0.69
48	L	E	E	42.84	16.13	14.12	30.29	117.78	118.69	-93.66	135.01	39.84	59.50	0.66	33.47	4.94	1.11	0.14	0.55	0.00	58.65	1.14
49	I	E	E	41.64	13.73	17.21	31.76	122.88	-158.72	-115.55	137.21	4.94	94.98	0.07	4.45	0.50	0.10	0.03	0.04	0.00	94.22	0.67
50	T	E	E	84.10	6.24	19.26	26.68	113.95	-133.90	-93.65	130.85	5.52	94.41	0.07	4.85	0.52	0.11	0.02	0.04	0.00	93.94	0.52
51	C	E	E	29.28	16.50	11.23	27.42	118.90	171.62	-127.24	122.52	49.02	50.84	0.14	44.24	2.66	0.41	0.03	0.10	0.00	51.69	0.86
52	N	C	S	117.46	2.59	17.41	20.48	101.05	-46.93	51.48	-90.39	98.45	1.21	0.34	2.83	48.93	46.91	0.02	0.28	0.00	0.89	0.14
53	D	C	T	102.93	5.77	16.00	22.79	97.57	-24.76	-91.06	9.79	98.80	0.88	0.32	2.05	47.71	49.25	0.02	0.24	0.00	0.63	0.10
54	H	E	E	46.73	14.53	15.87	30.96	132.09	87.82	-123.89	152.16	27.23	72.62	0.15	19.67	7.74	0.70	0.04	0.11	0.00	70.64	1.10
55	Y	E	E	45.82	15.43	20.99	36.90	120.39	-136.49	-106.17	135.14	4.60	95.37	0.03	4.07	0.51	0.05	0.02	0.01	0.00	94.68	0.66
56	L	E	E	9.46	20.67	20.99	41.84	126.34	-166.19	-118.06	143.47	6.80	93.16	0.05	6.06	0.65	0.05	0.03	0.02	0.00	92.71	0.48
57	C	E	E	12.51	15.70	22.20	38.69	116.76	-119.18	-75.70	146.40	31.60	68.17	0.23	31.02	1.06	0.09	0.18	0.08	0.00	65.59	1.99
58	L	H	H	45.87	15.44	19.86	35.40	92.40	-119.38	-60.44	-37.37	2.82	0.06	97.13	1.03	0.48	1.41	96.29	0.74	0.01	0.03	0.01
59	R	H	H	134.77	3.59	24.92	28.78	91.59	54.29	-63.88	-40.18	0.73	0.02	99.25	0.10	0.09	0.52	98.72	0.55	0.00	0.01	0.00
60	C	H	H	16.89	15.63	20.23	36.29	91.86	49.80	-65.34	-41.90	0.29	0.01	99.70	0.06	0.03	0.19	99.06	0.64	0.00	0.01	0.00
61	H	H	H	10.90	23.51	18.03	41.24	91.51	51.13	-63.90	-42.70	0.19	0.02	99.78	0.03	0.03	0.14	99.50	0.28	0.00	0.02	0.00
62	Q	H	H	73.52	8.68	21.91	30.95	91.55	50.83	-63.72	-41.60	0.47	0.05	99.48	0.08	0.06	0.35	99.20	0.25	0.00	0.04	0.01
63	V	H	H	59.39	5.03	22.44	27.75	91.30	49.89	-64.30	-41.95	0.68	0.03	99.29	0.08	0.06	0.56	99.00	0.26	0.01	0.02	0.01
64	M	H	H	19.64	17.95	17.44	35.63	91.89	49.55	-64.91	-41.27	1.61	0.03	98.36	0.20	0.13	1.30	97.81	0.51	0.01	0.02	0.01
65	L	H	H	35.90	17.66	15.73	33.01	91.65	52.26	-66.95	-32.01	7.52	0.06	92.42	0.53	0.48	6.55	91.04	1.28	0.05	0.03	0.04
66	R	H	H	162.65	2.33	19.68	22.05	93.19	53.40	-73.70	-24.95	24.62	0.15	75.23	1.25	1.54	21.70	73.80	1.48	0.08	0.05	0.10
67	N	H	H	97.39	4.35	17.84	22.73	99.89	38.48	-99.68	-10.76	45.64	1.03	53.33	7.21	7.98	31.22	50.27	2.09	0.17	0.36	0.70
68	S	C	C	22.03	17.71	10.61	27.65	128.91	73.61	-114.47	158.31	88.49	6.68	4.83	58.38	24.44	5.86	2.98	1.81	0.01	3.04	3.48
69	D	C	C	100.91	3.55	20.51	24.47	104.99	-134.09	-88.25	23.12	87.86	10.61	1.53	43.38	40.08	4.99	0.39	1.19	0.00	8.00	1.96
70	L	E	B	71.49	10.42	16.95	27.97	122.82	-93.80	-99.16	144.71	20.67	78.59	0.74	13.95	3.14	0.34	0.54	0.17	0.01	12.75	69.11
71	C	C	C	13.51	18.20	11.21	29.93	111.24	-113.51	-73.70	132.69	88.21	11.50	0.28	86.47	1.81	0.30	0.13	0.12	0.00	6.69	4.47
72	N	C	T	105.28	3.68	18.65	23.07	93.39	-139.37	-68.74	-24.14	99.17	0.40	0.43	0.78	4.83	93.68	0.03	0.33	0.00	0.24	0.11
73	I	C	T	79.18	9.07	15.33	25.21	99.86	44.37	-84.75	-41.17	99.56	0.14	0.31	0.15	2.38	97.18	0.01	0.19	0.00	0.06	0.03
74	C	C	T	52.09	8.27	13.57	23.40	100.30	22.14	-103.16	-8.29	99.63	0.12	0.24	0.47	3.24	96.02	0.01	0.17	0.00	0.07	0.03
75	W	C	C	176.10	4.27	14.67	20.76	94.31	-125.19	65.39	22.03	98.43	1.30	0.27	62.12	14.93	21.42	0.07	0.20	0.00	0.69	0.57
76	K	C	C	95.45	5.29	15.37	22.32	125.97	128.35	-97.55	154.05	91.96	7.97	0.07	58.88	33.38	0.55	0.02	0.05	0.00	5.88	1.25
77	P	E	B	87.34	5.10	19.13	25.12	115.04	-97.29	-64.80	145.54	9.73	90.19	0.08	7.45	0.53	0.02	0.08	0.01	0.00	12.21	79.70
78	L	C	C	19.62	22.55	10.78	32.68	115.91	-113.28	-79.56	142.87	94.50	5.43	0.07	92.07	2.74	0.14	0.02	0.05	0.00	4.28	0.71
79	P	C	C	52.61	8.79	18.55	28.52	112.44	-104.41	-66.09	145.76	94.19	5.51	0.29	83.41	9.48	1.22	0.05	0.29	0.00	4.66	0.88
80	T	C	C	82.39	9.12	15.55	25.46	101.47	-157.19	-91.78	-14.76	73.19	26.25	0.56	38.40	33.68	2.39	0.08	0.57	0.00	23.14	1.75
81	T	E	E	84.40	3.91	18.49	23.18	120.25	47.36	-116.24	129.23	38.09	61.12	0.79	31.30	5.16	1.59	0.15	0.77	0.00	57.82	3.21
82	I	E	E	39.06	19.46	10.34	28.83	120.29	-163.11	-111.13	131.19	34.19	65.51	0.30	32.12	1.84	0.28	0.11	0.20	0.00	63.07	2.38
83	T	E	E	92.05	2.92	20.88	24.17	116.80	-158.89	-109.97	124.40	42.23	57.62	0.15	40.25	1.61	0.19	0.06	0.10	0.00	54.77	3.01
84	V	C	C	49.93	16.95	10.30	26.59	116.91	-150.02	-92.95	131.91	77.57	22.30	0.13	73.69	2.75	0.28	0.03	0.10	0.00	22.14	1.00
85	P	C	C	69.72	6.42	14.46	22.36	113.54	-117.37	-71.40	151.44	89.46	10.21	0.32	79.35	8.53	1.28	0.07	0.30	0.00	9.33	1.14
86	V	C	C	110.43	3.90	14.14	19.53	104.67	-124.48	-87.51	-1.74	89.83	9.77	0.40	66.75	22.28	1.24	0.11	0.34	0.00	5.92	3.36
87	E	C	C	128.38	3.73	15.16	20.38	117.94	1.03	-100.18	131.10	95.11	4.80	0.09	84.42	10.81	0.27	0.03	0.06	0.00	3.39	1.02
88	P	C	C	54.21	14.62	9.77	24.04	114.91	-115.62	-67.71	148.94	94.58	5.04	0.38	88.02	4.83	1.73	0.09	0.29	0.00	3.55	1.49
89	T	C	C	91.82	3.86	16.33	21.33	116.13	-147.12	-99.03	137.63	84.67	14.72	0.61	69.86	11.66	2.11	0.25	0.41	0.00	5.36	10.36
90	A	C	C	59.41	8.86	10.97	21.09	119.95	-104.87	-94.87	142.34	92.80	7.03	0.17	66.29	26.45	0.68	0.06	0.12	0.00	3.37	3.01
91	P	C	C	71.84	7.35	10.36	19.36	116.54	-103.49	-68.57	152.40	98.96	0.99	0.05	87.86	10.88	0.30	0.02	0.03	0.00	0.49	0.41
92	P	C	C	101.30	2.39	12.41	16.16	114.45	-95.42	-65.69	150.42	99.62	0.34	0.05	98.99	0.57	0.14	0.02	0.01	0.00	0.13	0.15
93	P	C	C	104.39	3.54	12.35	17.76	110.32	-97.16	-66.22	145.51	99.82	0.13	0.05	99.29	0.38	0.20	0.02	0.01	0.00	0.06	0.04