# 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 69.25 5.14 13.20 19.80 113.16 -121.44 -76.52 146.18 99.96 0.02 0.02 99.90 0.04 0.03 0.01 0.00 0.00 0.01 0.00 1 R C C 160.77 3.64 11.08 16.50 113.29 -128.98 -89.55 130.71 90.72 3.64 5.64 87.97 1.46 1.94 4.43 0.77 0.00 1.63 1.80 2 V C C 81.26 7.92 8.70 17.87 116.08 -146.06 -94.55 131.27 86.19 3.75 10.05 76.09 6.51 3.12 9.22 1.54 0.00 2.18 1.35 3 K C C 141.00 2.90 13.03 17.41 112.29 -144.07 -88.64 126.97 82.86 3.01 14.13 70.54 7.00 4.19 13.85 1.71 0.00 1.80 0.91 4 R C C 136.62 6.63 11.77 19.63 107.25 -146.36 -84.32 88.55 67.57 1.53 30.90 48.51 9.91 6.97 31.47 1.87 0.00 0.72 0.54 5 G H H 32.98 7.16 12.85 21.16 110.13 56.82 -34.78 -143.69 46.34 0.52 53.15 30.01 8.39 6.70 52.98 1.50 0.00 0.20 0.21 6 V H H 98.81 2.61 14.71 17.73 94.22 -31.66 -66.12 -38.32 11.30 0.17 88.53 5.92 2.26 3.57 86.80 1.30 0.01 0.08 0.06 7 I H H 94.56 3.07 16.67 20.00 93.01 50.60 -66.19 -40.60 5.89 0.13 93.98 2.97 1.00 2.22 92.58 1.13 0.00 0.07 0.03 8 A H H 24.21 11.00 13.28 25.91 92.49 51.08 -64.69 -41.04 4.03 0.07 95.90 2.01 0.59 1.60 94.77 0.97 0.00 0.04 0.02 9 R H H 111.83 6.85 16.97 24.82 92.15 50.69 -64.34 -40.60 3.00 0.03 96.97 1.19 0.38 1.35 96.47 0.57 0.00 0.01 0.01 10 A H H 54.23 2.70 19.19 21.48 91.88 50.49 -64.26 -41.65 1.78 0.01 98.21 0.60 0.19 0.80 98.11 0.29 0.00 0.00 0.00 11 R H H 106.24 6.03 18.93 25.62 92.12 49.52 -65.44 -40.83 1.45 0.01 98.55 0.41 0.13 0.72 98.50 0.23 0.00 0.00 0.00 12 H H H 46.29 15.02 15.30 30.47 92.12 50.70 -64.43 -40.91 1.03 0.00 98.96 0.26 0.08 0.52 98.96 0.17 0.00 0.00 0.00 13 K H H 109.08 4.47 20.03 25.01 91.78 50.92 -64.01 -40.53 0.80 0.00 99.20 0.19 0.07 0.40 99.22 0.13 0.00 0.00 0.00 14 K H H 110.95 2.57 21.11 22.71 91.87 49.98 -64.67 -41.24 0.94 0.00 99.06 0.19 0.07 0.51 99.07 0.15 0.00 0.00 0.00 15 I H H 33.09 12.87 16.60 30.56 92.19 49.54 -64.53 -42.58 0.79 0.00 99.21 0.13 0.07 0.47 99.07 0.25 0.00 0.00 0.00 16 L H H 46.24 13.54 15.72 29.72 91.98 50.83 -63.77 -40.53 1.08 0.00 98.92 0.15 0.08 0.71 98.31 0.75 0.00 0.00 0.00 17 K H H 133.83 1.91 20.77 21.77 91.90 50.97 -64.78 -38.79 4.37 0.00 95.62 0.28 0.23 3.65 94.07 1.76 0.01 0.00 0.00 18 Q H H 102.06 4.24 18.03 22.83 92.48 50.67 -69.84 -28.98 12.77 0.02 87.22 0.57 0.75 11.18 85.21 2.26 0.01 0.01 0.01 19 A H H 18.56 17.59 10.39 27.65 95.55 55.43 -81.67 -10.01 43.88 0.21 55.91 7.89 5.53 30.65 50.21 5.44 0.03 0.07 0.17 20 K C T 140.45 4.15 15.10 21.43 104.18 114.55 -65.76 92.87 78.69 0.35 20.96 7.86 5.19 65.60 11.31 9.56 0.00 0.16 0.31 21 G C T 60.63 1.32 16.19 17.01 98.11 25.55 75.21 -1.33 85.06 0.33 14.61 9.79 7.88 67.46 4.25 10.22 0.00 0.17 0.23 22 Y C C 101.82 11.16 9.46 21.13 113.06 106.38 -87.21 125.55 89.33 1.67 9.00 71.59 9.69 7.90 2.65 6.36 0.00 0.83 0.98 23 Y C C 161.17 3.20 12.98 17.82 115.12 -172.19 -106.22 129.67 88.10 4.67 7.23 62.18 12.01 13.73 3.38 3.56 0.00 2.15 2.98 24 G C S 42.44 4.42 13.51 19.38 125.59 43.42 114.99 -168.15 88.00 2.39 9.61 29.07 35.13 24.69 3.68 5.10 0.01 1.16 1.18 25 A C C 67.82 4.15 13.02 18.45 111.67 -60.69 -78.00 133.87 83.48 1.34 15.18 56.74 15.28 11.32 9.45 5.78 0.00 0.57 0.86 26 R H H 145.80 5.17 11.75 18.57 96.93 -127.11 -65.79 -34.69 31.09 0.59 68.33 15.67 7.28 9.77 56.88 9.83 0.03 0.26 0.29 27 S H H 77.17 2.34 13.90 16.80 94.04 58.44 -66.44 -33.16 20.69 0.24 79.07 6.04 3.61 11.00 68.55 10.53 0.04 0.12 0.11 28 R H H 137.93 2.71 15.10 18.19 94.86 50.52 -74.30 -30.72 15.88 0.29 83.83 6.27 2.54 7.36 73.77 9.75 0.02 0.16 0.11 29 V H H 50.78 9.32 13.16 23.86 93.24 55.11 -65.59 -41.22 7.03 0.12 92.85 3.73 1.16 2.47 90.86 1.67 0.00 0.06 0.04 30 Y H H 101.91 8.28 15.79 24.88 92.52 50.70 -65.27 -41.23 2.64 0.03 97.33 1.05 0.34 1.09 96.98 0.51 0.00 0.01 0.01 31 R H H 139.31 2.36 19.43 21.37 92.48 50.12 -65.44 -41.33 1.30 0.01 98.69 0.41 0.13 0.61 98.55 0.29 0.00 0.00 0.00 32 V H H 64.60 5.25 19.12 25.09 92.48 49.25 -65.38 -42.04 0.56 0.00 99.43 0.14 0.05 0.27 99.40 0.14 0.00 0.00 0.00 33 A H H 22.58 12.82 15.69 29.72 92.06 50.78 -63.96 -42.33 0.36 0.00 99.64 0.07 0.02 0.18 99.65 0.08 0.00 0.00 0.00 34 F H H 93.01 7.01 19.65 27.20 91.88 49.66 -64.13 -41.55 0.25 0.00 99.75 0.04 0.01 0.14 99.77 0.04 0.00 0.00 0.00 35 Q H H 97.90 2.91 21.61 23.91 91.98 49.82 -64.71 -41.19 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 36 A H H 33.97 8.36 18.08 27.82 92.21 50.28 -64.86 -40.87 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 37 V H H 49.03 11.02 17.78 29.35 92.32 49.07 -64.93 -42.01 0.24 0.00 99.76 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 38 I H H 86.46 4.44 20.32 24.87 91.96 48.89 -64.42 -42.10 0.54 0.00 99.45 0.06 0.03 0.34 99.51 0.06 0.00 0.00 0.00 39 K H H 113.71 2.92 20.95 23.51 92.13 48.69 -64.94 -41.39 0.90 0.00 99.10 0.11 0.05 0.56 99.17 0.10 0.00 0.00 0.00 40 A H H 35.26 8.57 17.23 27.01 91.99 50.38 -64.30 -40.88 0.79 0.00 99.21 0.09 0.05 0.49 99.23 0.14 0.00 0.00 0.00 41 G H H 27.23 7.66 17.59 26.21 92.34 50.93 -64.00 -40.92 1.23 0.00 98.77 0.14 0.07 0.81 98.77 0.21 0.00 0.00 0.00 42 Q H H 97.51 3.03 19.75 22.49 92.24 50.42 -65.19 -41.26 1.16 0.00 98.83 0.16 0.08 0.73 98.79 0.24 0.00 0.00 0.00 43 Y H H 112.74 3.79 19.28 23.17 92.26 49.41 -65.15 -41.27 1.05 0.00 98.95 0.17 0.08 0.63 98.85 0.27 0.00 0.00 0.00 44 A H H 35.46 7.95 15.93 25.15 92.19 51.24 -64.19 -41.52 1.38 0.00 98.62 0.23 0.10 0.83 98.56 0.28 0.00 0.00 0.00 45 Y H H 114.15 4.34 17.97 22.71 92.14 49.65 -65.12 -41.52 1.66 0.00 98.34 0.27 0.14 1.05 98.18 0.36 0.00 0.00 0.00 46 R H H 128.52 2.19 18.69 20.18 92.06 49.71 -64.83 -41.52 2.03 0.00 97.97 0.31 0.17 1.30 97.91 0.31 0.00 0.00 0.00 47 D H H 63.94 4.46 16.70 22.02 92.43 49.56 -65.97 -40.20 3.68 0.00 96.32 0.68 0.30 2.24 96.45 0.32 0.00 0.00 0.00 48 R H H 104.46 6.47 16.05 23.21 92.10 50.99 -64.46 -41.00 1.34 0.00 98.66 0.24 0.12 0.75 98.67 0.21 0.00 0.00 0.00 49 R H H 128.22 2.79 17.42 20.31 92.13 49.82 -65.10 -41.09 1.05 0.00 98.94 0.16 0.08 0.63 98.94 0.19 0.00 0.00 0.00 50 Q H H 95.02 2.42 17.64 19.75 92.02 49.57 -64.95 -41.04 1.05 0.00 98.95 0.18 0.08 0.60 98.95 0.18 0.00 0.00 0.00 51 R H H 114.37 4.53 16.70 21.86 92.09 49.95 -64.80 -40.94 0.78 0.00 99.22 0.14 0.06 0.41 99.26 0.12 0.00 0.00 0.00 52 K H H 96.41 5.94 16.36 23.28 92.07 50.37 -64.69 -40.79 0.59 0.00 99.41 0.09 0.03 0.33 99.44 0.11 0.00 0.00 0.00 53 R H H 126.68 2.82 17.83 20.73 92.13 50.35 -64.86 -41.10 0.44 0.00 99.56 0.06 0.03 0.25 99.58 0.09 0.00 0.00 0.00 54 Q H H 96.93 2.66 18.70 20.95 91.88 49.74 -64.90 -41.42 0.40 0.00 99.60 0.05 0.02 0.24 99.62 0.07 0.00 0.00 0.00 55 F H H 82.17 7.39 17.09 25.51 92.19 49.32 -64.66 -41.68 0.29 0.00 99.71 0.04 0.01 0.17 99.73 0.05 0.00 0.00 0.00 56 R H H 96.30 10.11 17.20 27.79 91.93 51.42 -63.74 -40.97 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 57 Q H H 101.71 3.14 20.05 23.02 91.84 50.26 -64.68 -41.06 0.15 0.00 99.85 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 58 L H H 81.02 4.01 20.82 24.80 92.01 49.68 -64.83 -41.55 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 59 W H H 49.44 14.84 17.86 33.01 91.92 49.54 -64.23 -42.36 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 60 I H H 50.50 12.68 19.34 32.34 91.70 50.11 -63.47 -41.82 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 61 A H H 57.95 2.95 23.49 25.53 91.60 50.67 -64.24 -41.48 0.10 0.00 99.90 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 62 R H H 97.90 8.30 22.74 31.15 91.97 49.28 -65.86 -41.25 0.22 0.00 99.78 0.01 0.01 0.17 99.78 0.03 0.00 0.00 0.00 63 I H H 12.44 21.63 18.04 39.65 91.94 49.30 -64.77 -42.77 0.28 0.00 99.72 0.02 0.01 0.19 99.74 0.04 0.00 0.00 0.00 64 N H H 64.89 9.37 22.70 32.28 91.45 50.91 -63.08 -41.45 0.43 0.00 99.57 0.05 0.02 0.24 99.64 0.05 0.00 0.00 0.00 65 A H H 47.99 3.08 24.11 26.50 91.28 50.37 -63.33 -42.22 0.29 0.00 99.71 0.03 0.01 0.17 99.72 0.07 0.00 0.00 0.00 66 A H H 15.64 11.88 18.86 32.40 91.58 50.51 -63.96 -42.14 0.32 0.00 99.68 0.02 0.01 0.21 99.65 0.10 0.00 0.00 0.00 67 A H H 9.76 17.01 13.96 31.94 91.56 51.06 -63.49 -41.69 0.59 0.00 99.41 0.07 0.03 0.37 99.32 0.21 0.00 0.00 0.00 68 R H H 161.28 2.13 18.61 21.05 91.81 50.41 -63.78 -40.79 1.26 0.00 98.74 0.12 0.06 0.95 98.17 0.70 0.00 0.00 0.00 69 Q H H 130.05 2.07 16.85 19.23 91.55 52.00 -66.45 -30.33 6.72 0.01 93.27 0.17 0.23 6.45 92.38 0.76 0.00 0.00 0.00 70 N C T 71.93 9.20 12.91 23.33 95.28 44.37 -95.48 2.56 64.48 0.01 35.51 0.33 1.07 63.22 34.48 0.88 0.00 0.00 0.01 71 G C T 62.60 0.92 18.81 17.95 95.11 -111.22 76.58 17.79 99.91 0.00 0.09 1.26 1.45 97.25 0.03 0.01 0.00 0.00 0.00 72 I C C 36.34 15.95 9.78 25.83 121.99 133.59 -105.91 141.15 99.63 0.33 0.04 95.33 4.21 0.08 0.02 0.01 0.00 0.09 0.27 73 S C C 58.16 2.90 22.81 24.46 119.01 -126.35 -80.31 154.75 99.74 0.19 0.07 99.52 0.25 0.04 0.03 0.01 0.00 0.05 0.11 74 Y H H 69.78 18.56 12.87 30.62 92.01 -118.46 -59.18 -38.51 2.24 0.00 97.76 0.49 0.32 1.14 97.50 0.53 0.00 0.00 0.00 75 S H H 72.47 2.84 20.43 23.49 91.30 56.69 -63.15 -39.71 0.82 0.00 99.18 0.09 0.06 0.55 98.62 0.69 0.00 0.00 0.00 76 K H H 103.10 5.12 21.38 26.86 91.87 50.03 -65.71 -40.57 0.28 0.00 99.72 0.03 0.02 0.17 99.14 0.64 0.00 0.00 0.00 77 F H H 9.51 23.06 15.79 38.74 92.00 49.50 -64.37 -43.48 0.33 0.00 99.67 0.04 0.02 0.20 99.45 0.29 0.00 0.00 0.00 78 I H H 40.62 14.63 20.01 34.58 91.87 49.17 -63.96 -42.55 0.54 0.00 99.45 0.05 0.03 0.38 99.45 0.10 0.00 0.00 0.00 79 N H H 83.06 2.50 24.36 25.42 91.68 50.45 -63.58 -41.27 0.71 0.00 99.29 0.07 0.04 0.47 99.30 0.12 0.00 0.00 0.00 80 G H H 9.82 12.26 18.71 32.57 91.88 51.34 -63.63 -42.41 1.11 0.00 98.89 0.10 0.06 0.78 98.76 0.29 0.00 0.00 0.00 81 L H H 10.44 21.42 14.44 35.87 92.18 50.50 -64.38 -41.85 1.27 0.00 98.73 0.16 0.10 0.86 98.19 0.69 0.00 0.00 0.00 82 K H H 127.12 4.27 19.01 24.52 91.71 50.83 -63.70 -40.42 2.29 0.01 97.70 0.22 0.15 1.71 96.90 1.02 0.00 0.00 0.00 83 K H H 142.44 2.03 18.50 20.56 91.20 52.12 -65.83 -30.21 9.54 0.01 90.45 0.35 0.44 8.67 89.54 0.97 0.01 0.00 0.01 84 A C T 31.31 13.61 12.83 27.11 94.56 51.97 -87.10 -1.28 81.54 0.04 18.42 0.89 2.60 77.04 18.42 1.00 0.00 0.01 0.05 85 S C T 93.31 1.55 19.88 20.80 94.01 -118.93 61.38 35.71 99.00 0.03 0.97 3.60 2.03 93.61 0.54 0.19 0.00 0.02 0.01 86 V C C 26.39 18.97 10.01 28.38 115.80 147.76 -100.80 126.84 96.70 2.49 0.82 92.90 2.99 1.06 0.32 0.37 0.00 1.69 0.67 87 E C C 142.74 1.88 22.49 23.73 110.15 -139.24 -90.27 116.26 94.51 4.98 0.51 90.85 3.15 0.93 0.22 0.23 0.00 3.69 0.94 88 I C C 23.38 22.47 9.59 30.79 124.82 166.09 -119.44 138.87 94.64 5.15 0.21 88.11 7.15 0.19 0.14 0.06 0.00 2.66 1.70 89 D C C 80.05 3.47 22.44 25.13 117.47 -116.67 -78.46 152.12 99.29 0.52 0.19 98.95 0.49 0.08 0.13 0.02 0.00 0.21 0.13 90 R H H 112.53 13.60 14.24 27.78 91.91 -116.57 -59.65 -37.31 1.53 0.00 98.47 0.21 0.19 0.87 98.46 0.27 0.00 0.00 0.00 91 K H H 124.77 4.32 20.24 25.20 91.83 54.41 -63.74 -40.57 0.75 0.00 99.25 0.06 0.05 0.55 99.00 0.34 0.00 0.00 0.00 92 I H H 46.79 11.18 20.29 32.16 92.08 48.88 -65.43 -42.05 0.53 0.00 99.47 0.04 0.03 0.40 99.14 0.39 0.00 0.00 0.00 93 L H H 9.39 22.45 18.19 40.37 91.40 50.15 -63.14 -42.86 0.16 0.00 99.84 0.01 0.01 0.09 99.82 0.06 0.00 0.00 0.00 94 A H H 18.79 14.71 20.69 35.98 91.27 51.50 -63.10 -41.68 0.26 0.00 99.74 0.02 0.01 0.15 99.76 0.05 0.00 0.00 0.00 95 D H H 64.37 6.11 25.36 31.88 91.56 50.60 -64.60 -41.13 0.51 0.00 99.49 0.03 0.02 0.37 99.49 0.09 0.00 0.00 0.00 96 I H H 17.63 16.54 20.91 37.84 91.77 50.39 -64.38 -41.63 0.46 0.00 99.54 0.03 0.03 0.33 99.42 0.19 0.00 0.00 0.00 97 A H H 9.09 20.65 17.42 38.07 91.67 51.77 -65.27 -36.38 1.27 0.00 98.73 0.10 0.07 1.00 98.25 0.58 0.00 0.00 0.00 98 V H H 68.24 10.00 20.54 30.56 95.25 48.30 -75.17 -34.73 6.86 0.00 93.14 0.12 0.20 6.77 92.31 0.59 0.00 0.00 0.00 99 F H H 115.57 5.44 19.91 25.85 101.27 32.49 -94.25 -28.70 14.11 0.02 85.87 0.31 1.36 12.13 85.78 0.38 0.01 0.00 0.01 100 D C C 57.42 10.24 16.45 27.39 115.85 17.15 -137.28 92.86 98.63 0.16 1.21 91.79 5.61 1.10 1.22 0.11 0.00 0.04 0.13 101 K H H 96.39 13.06 15.00 28.24 93.70 -170.45 -62.62 -36.50 2.09 0.00 97.91 0.27 0.18 1.39 97.48 0.68 0.00 0.00 0.00 102 V H H 94.13 2.91 23.10 25.70 91.68 54.91 -64.10 -40.50 0.78 0.00 99.22 0.05 0.04 0.60 98.73 0.59 0.00 0.00 0.00 103 A H H 18.48 12.91 19.61 33.59 91.55 50.30 -64.49 -42.07 0.23 0.00 99.77 0.02 0.01 0.15 99.31 0.50 0.00 0.00 0.00 104 F H H 8.76 23.82 17.39 41.13 91.63 50.17 -63.58 -42.82 0.15 0.00 99.85 0.01 0.01 0.09 99.74 0.15 0.00 0.00 0.00 105 T H H 53.19 8.54 23.95 32.73 91.45 50.73 -63.44 -41.82 0.15 0.00 99.85 0.01 0.00 0.10 99.84 0.04 0.00 0.00 0.00 106 A H H 41.26 4.87 24.52 29.70 91.29 51.04 -63.30 -42.56 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 107 L H H 11.55 19.80 20.14 39.92 91.57 49.55 -64.27 -43.25 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 108 V H H 19.73 18.47 19.22 37.67 91.56 49.76 -63.44 -42.69 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 109 E H H 110.56 2.69 24.05 25.86 91.44 50.01 -63.57 -41.86 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 110 K H H 97.99 5.47 21.02 26.85 91.82 49.18 -65.09 -40.23 0.60 0.00 99.40 0.05 0.03 0.41 99.39 0.12 0.00 0.00 0.00 111 A H H 13.07 18.58 12.81 31.47 91.81 50.82 -65.24 -39.59 2.32 0.00 97.68 0.19 0.13 1.67 97.66 0.34 0.00 0.00 0.00 112 K H H 122.60 6.22 16.26 23.64 92.06 52.86 -65.57 -33.22 13.94 0.01 86.05 1.06 0.82 11.05 86.42 0.64 0.00 0.00 0.01 113 A H H 87.20 1.28 15.66 16.27 94.28 54.73 -76.03 -18.39 42.37 0.06 57.56 10.86 1.05 26.71 60.64 0.68 0.00 0.01 0.05 114 A C C 56.17 9.29 12.21 22.26 100.55 75.39 -76.50 -10.20 99.85 0.01 0.14 99.41 0.14 0.30 0.14 0.00 0.00 0.00 0.00