# 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 105.11 6.68 11.02 19.07 111.90 -144.11 -89.10 131.40 99.96 0.02 0.02 99.88 0.06 0.03 0.01 0.00 0.00 0.00 0.00 1 A C C 72.97 3.79 10.40 15.79 108.90 -125.92 -76.70 130.70 80.50 0.65 18.85 74.16 1.37 7.51 9.37 6.87 0.00 0.32 0.40 2 S C C 81.02 2.92 9.45 13.97 105.69 -115.32 -77.63 79.80 71.10 0.94 27.96 34.88 12.68 24.09 10.85 16.43 0.00 0.43 0.63 3 N C C 111.64 3.49 9.34 14.36 103.47 66.47 -87.73 29.73 69.05 1.18 29.77 34.79 13.08 21.60 11.33 17.87 0.00 0.52 0.81 4 R C T 158.60 3.16 10.14 15.07 105.38 117.88 -83.51 62.50 72.55 1.01 26.44 26.86 17.87 28.67 12.10 13.28 0.01 0.41 0.80 5 G C C 53.21 3.19 11.47 15.93 104.40 22.23 36.21 2.84 82.42 0.84 16.73 33.70 19.97 29.51 8.09 7.76 0.00 0.33 0.64 6 H C C 120.08 4.52 10.88 17.13 108.88 114.73 -92.84 86.79 83.12 1.25 15.63 53.52 18.41 11.11 11.00 4.50 0.00 0.44 1.02 7 G C C 40.11 4.52 13.13 18.84 116.50 38.95 -100.66 -57.39 75.18 0.79 24.03 44.61 20.15 9.30 22.82 2.32 0.00 0.23 0.55 8 G H H 38.02 5.52 14.53 21.07 103.87 -8.70 0.38 -85.94 19.68 0.16 80.16 7.06 6.63 7.42 76.70 2.02 0.02 0.05 0.10 9 I H H 92.77 6.24 13.86 21.24 93.84 14.03 -66.88 -37.99 6.42 0.07 93.51 2.28 1.08 3.17 91.61 1.78 0.01 0.03 0.03 10 Q H H 105.81 2.99 15.86 19.30 92.03 52.47 -65.19 -39.41 2.89 0.03 97.08 1.27 0.36 1.26 95.57 1.51 0.00 0.02 0.01 11 Q H H 93.45 4.05 16.21 21.12 92.25 50.53 -65.81 -39.80 1.07 0.01 98.93 0.41 0.12 0.46 98.52 0.49 0.00 0.00 0.00 12 L H H 65.79 8.55 15.10 24.79 92.18 50.74 -64.77 -41.85 0.57 0.00 99.43 0.15 0.05 0.28 99.35 0.17 0.00 0.00 0.00 13 L H H 82.15 4.50 18.08 22.93 91.92 50.09 -64.25 -40.79 0.44 0.00 99.56 0.09 0.03 0.23 99.55 0.09 0.00 0.00 0.00 14 A H H 52.91 2.67 19.20 21.37 91.44 50.60 -63.89 -41.33 0.40 0.00 99.60 0.07 0.03 0.21 99.63 0.06 0.00 0.00 0.00 15 A H H 34.68 7.23 16.06 25.02 91.94 50.77 -64.19 -41.65 0.34 0.00 99.66 0.05 0.02 0.19 99.69 0.05 0.00 0.00 0.00 16 E H H 78.95 8.17 17.01 26.00 91.85 51.11 -63.98 -41.20 0.30 0.00 99.70 0.04 0.02 0.16 99.74 0.04 0.00 0.00 0.00 17 Q H H 106.34 2.12 20.24 21.06 92.00 50.08 -64.70 -41.36 0.35 0.00 99.65 0.05 0.02 0.20 99.70 0.04 0.00 0.00 0.00 18 E H H 99.64 2.66 19.35 21.51 91.75 49.35 -64.89 -41.28 0.39 0.00 99.61 0.05 0.02 0.22 99.66 0.04 0.00 0.00 0.00 19 A H H 30.79 9.78 14.67 25.97 91.77 51.14 -64.13 -40.94 0.45 0.00 99.55 0.06 0.02 0.25 99.61 0.05 0.00 0.00 0.00 20 Q H H 94.75 5.12 17.59 23.43 91.61 51.81 -63.92 -40.18 0.39 0.00 99.61 0.04 0.02 0.23 99.67 0.05 0.00 0.00 0.00 21 H H H 127.94 1.36 19.67 19.21 91.93 50.04 -64.99 -41.47 0.29 0.00 99.71 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 22 I H H 82.56 4.41 18.00 22.90 92.14 48.66 -65.36 -42.30 0.25 0.00 99.75 0.03 0.01 0.14 99.77 0.04 0.00 0.00 0.00 23 V H H 49.18 9.51 15.34 25.86 91.97 48.66 -64.51 -42.29 0.23 0.00 99.77 0.03 0.01 0.12 99.79 0.04 0.00 0.00 0.00 24 A H H 55.03 3.17 18.52 21.68 91.47 50.61 -63.35 -41.71 0.25 0.00 99.75 0.03 0.01 0.15 99.78 0.04 0.00 0.00 0.00 25 A H H 59.19 1.97 19.42 20.17 91.70 49.97 -64.38 -41.34 0.32 0.00 99.68 0.03 0.01 0.20 99.70 0.06 0.00 0.00 0.00 26 A H H 38.21 6.65 15.75 23.95 92.08 50.29 -64.60 -41.27 0.42 0.00 99.58 0.04 0.02 0.25 99.60 0.08 0.00 0.00 0.00 27 R H H 114.10 6.50 17.05 24.12 91.90 50.77 -63.90 -41.16 0.59 0.00 99.41 0.07 0.03 0.36 99.45 0.09 0.00 0.00 0.00 28 N H H 102.63 1.52 19.66 19.66 91.93 49.75 -64.84 -40.79 0.73 0.00 99.27 0.09 0.04 0.44 99.33 0.10 0.00 0.00 0.00 29 A H H 56.70 2.90 17.64 20.63 92.15 50.13 -64.85 -41.14 0.70 0.00 99.30 0.10 0.04 0.41 99.33 0.12 0.00 0.00 0.00 30 K H H 88.41 7.45 16.06 24.26 92.00 50.18 -64.80 -41.14 0.66 0.00 99.34 0.11 0.04 0.38 99.34 0.12 0.00 0.00 0.00 31 M H H 89.33 4.11 17.19 21.81 91.81 50.58 -64.20 -40.99 0.70 0.00 99.30 0.13 0.05 0.39 99.31 0.12 0.00 0.00 0.00 32 A H H 57.34 1.85 18.51 19.28 91.46 50.75 -64.03 -41.36 0.73 0.00 99.27 0.13 0.05 0.41 99.31 0.11 0.00 0.00 0.00 33 R H H 117.21 3.79 17.23 21.39 92.21 49.36 -65.23 -40.89 0.81 0.00 99.19 0.14 0.05 0.47 99.22 0.12 0.00 0.00 0.00 34 L H H 67.72 7.49 15.04 23.61 91.86 50.57 -64.38 -41.10 0.54 0.00 99.46 0.13 0.04 0.28 99.45 0.11 0.00 0.00 0.00 35 R H H 141.57 1.89 18.59 19.70 91.78 50.36 -64.31 -41.17 0.49 0.00 99.51 0.09 0.03 0.27 99.52 0.09 0.00 0.00 0.00 36 Q H H 102.94 1.71 19.04 19.34 91.74 49.39 -64.87 -41.28 0.68 0.00 99.32 0.11 0.05 0.40 99.34 0.10 0.00 0.00 0.00 37 A H H 36.61 6.94 15.04 23.58 92.07 50.33 -64.07 -41.20 0.73 0.00 99.27 0.16 0.05 0.38 99.30 0.10 0.00 0.00 0.00 38 K H H 103.15 5.68 17.10 23.42 91.90 50.93 -63.45 -41.35 0.62 0.00 99.38 0.13 0.04 0.32 99.41 0.09 0.00 0.00 0.00 39 E H H 107.85 1.56 19.51 19.28 91.73 49.72 -64.45 -41.57 0.64 0.00 99.36 0.10 0.04 0.36 99.40 0.09 0.00 0.00 0.00 40 E H H 96.33 2.55 18.56 20.64 91.86 49.43 -64.80 -41.17 0.81 0.00 99.19 0.14 0.06 0.47 99.23 0.10 0.00 0.00 0.00 41 A H H 32.59 8.39 14.15 24.20 91.89 50.65 -64.01 -41.06 0.76 0.00 99.24 0.15 0.05 0.40 99.31 0.08 0.00 0.00 0.00 42 E H H 105.95 3.42 17.54 21.30 91.55 51.19 -63.77 -40.73 0.45 0.00 99.55 0.08 0.03 0.23 99.61 0.06 0.00 0.00 0.00 43 R H H 147.20 1.23 18.83 18.17 91.88 49.76 -64.98 -41.20 0.32 0.00 99.68 0.05 0.02 0.17 99.72 0.05 0.00 0.00 0.00 44 E H H 90.36 3.88 17.05 21.42 92.10 49.10 -64.94 -41.34 0.36 0.00 99.64 0.05 0.02 0.20 99.68 0.06 0.00 0.00 0.00 45 I H H 66.98 6.66 15.38 23.25 92.06 49.61 -64.27 -41.45 0.32 0.00 99.68 0.05 0.02 0.18 99.71 0.05 0.00 0.00 0.00 46 A H H 55.39 2.64 17.22 19.88 91.52 51.03 -63.44 -41.30 0.26 0.00 99.74 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 47 E H H 112.65 1.63 18.31 18.65 91.88 49.76 -64.78 -41.26 0.43 0.00 99.57 0.04 0.02 0.27 99.60 0.07 0.00 0.00 0.00 48 H H H 88.53 4.97 15.93 21.81 92.23 49.56 -64.88 -41.32 0.52 0.00 99.48 0.07 0.03 0.32 99.51 0.08 0.00 0.00 0.00 49 R H H 120.61 4.34 16.38 21.46 91.92 50.55 -64.10 -40.62 0.43 0.00 99.57 0.06 0.03 0.24 99.59 0.08 0.00 0.00 0.00 50 A H H 56.71 2.12 17.06 18.80 91.68 50.86 -63.72 -40.66 0.60 0.00 99.40 0.08 0.03 0.35 99.44 0.09 0.00 0.00 0.00 51 Q H H 97.28 2.18 17.42 19.09 92.10 50.01 -65.36 -40.63 0.71 0.00 99.29 0.10 0.05 0.40 99.35 0.09 0.00 0.00 0.00 52 V H H 62.42 5.16 15.00 21.55 92.21 49.71 -64.85 -41.19 0.78 0.00 99.21 0.14 0.06 0.41 99.28 0.10 0.00 0.00 0.00 53 E H H 97.56 3.29 15.95 19.89 91.99 50.87 -64.32 -40.51 0.84 0.00 99.16 0.16 0.05 0.43 99.25 0.11 0.00 0.00 0.00 54 R H H 136.89 1.45 17.18 17.38 92.02 50.25 -64.78 -40.95 0.63 0.00 99.37 0.10 0.04 0.33 99.41 0.11 0.00 0.00 0.00 55 E H H 97.13 2.69 16.34 19.13 92.03 50.01 -64.86 -40.71 0.70 0.00 99.30 0.10 0.04 0.40 99.32 0.13 0.00 0.00 0.00 56 F H H 87.25 5.80 13.76 21.15 92.48 49.96 -65.03 -40.48 0.91 0.00 99.09 0.15 0.06 0.52 99.10 0.17 0.00 0.00 0.00 57 Q H H 104.18 2.55 15.63 18.58 92.07 51.86 -64.23 -40.38 0.89 0.00 99.11 0.18 0.07 0.48 99.11 0.17 0.00 0.00 0.00 58 R H H 144.91 1.31 16.48 16.55 92.24 50.26 -65.14 -40.51 1.55 0.00 98.45 0.27 0.12 0.93 98.31 0.36 0.00 0.00 0.00 59 K H H 107.61 3.27 14.89 18.82 92.57 49.79 -66.56 -39.61 2.90 0.01 97.09 0.55 0.26 1.79 96.73 0.66 0.00 0.00 0.00 60 L H H 75.73 6.09 12.09 19.82 92.48 51.74 -65.08 -39.01 5.06 0.03 94.91 1.18 0.61 2.96 94.06 1.16 0.01 0.01 0.01 61 A H H 76.15 1.72 14.04 15.87 92.54 53.07 -66.95 -35.05 12.87 0.06 87.07 2.70 1.42 8.23 85.46 2.12 0.02 0.03 0.03 62 E H H 142.31 1.22 13.82 14.49 94.79 50.79 -75.11 -27.23 25.24 0.15 74.61 4.42 3.36 17.35 71.96 2.74 0.03 0.06 0.09 63 S H H 60.58 5.85 9.24 16.58 103.58 55.39 -91.39 5.96 49.15 0.58 50.26 17.09 10.46 22.40 46.43 3.02 0.03 0.20 0.37 64 S C C 84.06 2.21 10.64 14.21 107.54 76.15 -90.34 69.30 73.77 0.90 25.33 33.33 13.86 27.06 20.65 4.15 0.01 0.34 0.60 65 G C S 58.21 1.44 12.28 14.05 109.75 17.55 69.02 -108.74 82.90 0.62 16.48 17.66 33.76 32.29 10.41 5.15 0.01 0.24 0.48 66 D C C 106.60 2.54 11.00 14.84 105.76 18.20 -87.90 70.70 82.93 0.72 16.36 44.10 20.17 18.89 10.99 5.01 0.00 0.26 0.56 67 S C H 72.46 3.94 10.92 16.42 101.23 159.86 -77.70 -15.43 56.24 0.46 43.30 22.17 14.84 20.31 37.52 4.65 0.02 0.16 0.33 68 G H H 44.34 3.23 13.79 17.88 98.48 35.34 -18.37 -32.99 41.94 0.25 57.81 13.15 11.03 18.58 53.26 3.70 0.02 0.09 0.17 69 A H H 57.99 2.96 14.16 17.82 94.71 65.14 -67.41 -38.57 15.61 0.13 84.26 7.10 3.31 5.64 81.44 2.38 0.01 0.05 0.06 70 N H H 72.88 4.84 13.84 20.15 93.46 53.54 -66.79 -39.41 7.44 0.08 92.47 3.70 1.32 2.79 90.67 1.44 0.00 0.04 0.03 71 V H H 70.92 4.47 14.39 20.22 92.81 51.14 -65.51 -40.46 3.65 0.05 96.30 1.85 0.57 1.34 95.37 0.83 0.00 0.02 0.01 72 K H H 122.77 1.77 16.66 17.87 92.32 50.88 -65.00 -41.03 2.31 0.02 97.67 1.06 0.33 0.91 97.20 0.48 0.00 0.01 0.01 73 R H H 131.35 2.20 16.39 18.41 92.22 50.23 -64.65 -41.08 1.53 0.01 98.46 0.54 0.18 0.68 98.29 0.30 0.00 0.00 0.00 74 L H H 75.89 4.75 14.61 20.67 92.19 50.44 -64.79 -41.05 1.04 0.00 98.96 0.29 0.10 0.50 98.90 0.21 0.00 0.00 0.00 75 E H H 104.22 3.22 16.05 19.90 91.84 50.71 -64.37 -40.89 1.06 0.00 98.93 0.27 0.09 0.52 98.94 0.17 0.00 0.00 0.00 76 Q H H 107.94 1.65 17.42 18.06 92.09 49.89 -64.91 -41.38 1.02 0.00 98.97 0.20 0.09 0.53 99.05 0.12 0.00 0.00 0.00 77 E H H 99.94 2.68 16.91 19.59 92.13 49.62 -65.16 -40.69 1.07 0.00 98.93 0.24 0.09 0.52 99.04 0.10 0.00 0.00 0.00 78 T H H 50.67 6.12 14.63 22.23 91.98 50.09 -64.69 -41.05 0.87 0.00 99.13 0.21 0.06 0.39 99.25 0.09 0.00 0.00 0.00 79 E H H 104.99 2.74 17.22 20.13 91.88 50.88 -64.20 -40.81 0.57 0.00 99.43 0.11 0.04 0.27 99.53 0.07 0.00 0.00 0.00 80 V H H 79.48 1.96 17.62 18.78 91.77 50.06 -64.31 -41.69 0.45 0.00 99.55 0.08 0.03 0.21 99.63 0.05 0.00 0.00 0.00 81 K H H 104.00 3.80 16.77 21.04 92.05 49.83 -65.12 -40.90 0.40 0.00 99.60 0.07 0.02 0.20 99.66 0.05 0.00 0.00 0.00 82 I H H 73.59 6.23 14.99 22.48 92.11 50.21 -64.60 -41.30 0.39 0.00 99.61 0.06 0.02 0.20 99.65 0.06 0.00 0.00 0.00 83 H H H 121.36 1.81 17.65 18.81 91.92 50.62 -64.05 -40.98 0.44 0.00 99.56 0.06 0.03 0.24 99.61 0.06 0.00 0.00 0.00 84 H H H 119.58 1.85 17.72 18.79 92.05 49.74 -65.09 -40.90 0.72 0.00 99.28 0.11 0.05 0.42 99.33 0.10 0.00 0.00 0.00 85 L H H 72.95 6.24 15.29 22.66 92.09 49.89 -64.67 -41.43 0.76 0.00 99.23 0.14 0.06 0.42 99.26 0.12 0.00 0.00 0.00 86 N H H 84.80 4.37 16.85 21.99 91.94 50.37 -64.06 -40.89 1.04 0.00 98.95 0.20 0.09 0.56 98.99 0.16 0.00 0.00 0.00 87 A H H 57.66 1.98 18.27 19.37 91.86 50.17 -64.06 -41.17 1.54 0.00 98.46 0.24 0.13 0.93 98.44 0.27 0.00 0.00 0.00 88 G H H 30.89 4.01 16.83 21.77 92.15 50.57 -64.42 -40.32 2.86 0.00 97.13 0.42 0.24 1.87 96.90 0.57 0.00 0.00 0.00 89 A H H 36.28 9.38 13.08 23.99 92.17 52.12 -64.52 -38.65 3.29 0.01 96.70 0.50 0.28 2.16 95.33 1.72 0.00 0.00 0.00 90 E H H 123.53 2.48 16.54 19.40 92.04 52.75 -65.66 -36.67 5.41 0.01 94.58 0.52 0.34 4.19 90.63 4.31 0.00 0.00 0.00 91 K H H 145.35 1.23 17.11 17.17 92.66 52.26 -69.53 -32.96 17.93 0.01 82.05 0.53 0.82 16.59 78.26 3.78 0.01 0.00 0.01 92 I H H 70.62 7.92 12.80 22.24 99.54 41.48 -100.03 -4.28 39.43 0.03 60.54 2.05 1.86 34.62 58.23 3.19 0.01 0.01 0.03 93 Q H H 81.17 9.56 13.12 23.80 92.72 91.77 -60.15 -42.21 2.90 0.00 97.10 1.16 0.25 1.15 96.60 0.83 0.00 0.00 0.00 94 Y H H 150.82 2.32 17.27 19.55 92.46 51.12 -64.97 -39.94 1.03 0.00 98.96 0.23 0.08 0.56 98.58 0.55 0.00 0.00 0.00 95 D H H 82.33 2.64 18.44 20.73 92.29 50.09 -65.58 -40.38 0.36 0.00 99.64 0.09 0.03 0.18 99.30 0.41 0.00 0.00 0.00 96 V H H 47.37 9.00 15.64 25.96 92.15 49.75 -64.54 -42.79 0.13 0.00 99.87 0.03 0.01 0.06 99.82 0.08 0.00 0.00 0.00 97 V H H 54.44 8.12 16.27 25.56 91.71 50.06 -63.80 -41.85 0.12 0.00 99.88 0.02 0.00 0.06 99.88 0.04 0.00 0.00 0.00 98 Q H H 100.93 2.57 18.60 20.93 91.65 50.69 -64.00 -40.86 0.17 0.00 99.83 0.01 0.00 0.11 99.81 0.06 0.00 0.00 0.00 99 M H H 86.68 4.23 17.38 22.15 91.91 50.36 -64.76 -40.94 0.34 0.00 99.66 0.03 0.01 0.23 99.56 0.17 0.00 0.00 0.00 100 L H H 60.76 9.53 14.90 25.30 91.90 50.58 -64.26 -41.75 0.72 0.00 99.28 0.07 0.04 0.51 98.96 0.42 0.00 0.00 0.00 101 L H H 81.80 6.16 15.29 22.43 91.83 51.00 -64.47 -39.46 2.83 0.01 97.16 0.29 0.18 2.15 95.93 1.44 0.00 0.00 0.00 102 K H H 133.15 1.87 16.63 18.30 92.37 52.24 -66.12 -36.69 11.76 0.03 88.21 0.78 0.62 10.04 85.73 2.80 0.01 0.01 0.01 103 H H H 101.83 5.56 14.29 20.84 94.16 50.50 -73.46 -32.52 22.74 0.10 77.17 2.66 1.97 17.58 73.94 3.72 0.03 0.04 0.05 104 V H H 69.50 8.95 12.02 21.53 97.30 48.58 -80.36 -26.54 33.96 0.96 65.07 13.02 6.60 15.06 61.09 3.28 0.05 0.47 0.43 105 T C H 83.56 4.66 12.34 18.18 103.22 50.27 -92.97 -1.89 51.90 5.75 42.34 28.68 8.89 14.48 39.51 3.25 0.10 3.28 1.81 106 T C C 87.48 3.18 11.74 16.30 109.06 82.09 -94.17 101.62 69.99 7.31 22.70 45.37 12.08 11.12 21.72 3.02 0.03 4.81 1.85 107 V C C 96.22 5.37 8.05 15.18 109.20 -152.29 -87.24 110.76 80.09 7.10 12.81 58.43 12.10 8.21 12.25 2.19 0.01 5.11 1.71 108 K C C 151.16 2.07 9.45 13.10 110.23 -159.71 -92.46 108.18 91.08 3.92 5.00 84.75 1.56 4.71 4.48 0.67 0.00 2.73 1.10 109 N C C 116.87 3.23 10.70 15.63 107.85 -136.83 -88.17 103.07 99.94 0.04 0.02 99.90 0.04 0.03 0.01 0.00 0.00 0.02 0.00