# 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 S C C 66.11 4.91 14.70 20.64 112.30 -157.21 -87.28 140.50 99.85 0.04 0.11 99.74 0.08 0.07 0.08 0.00 0.00 0.01 0.01 1 N H H 92.64 5.60 11.67 18.54 98.68 55.58 -73.54 -26.78 46.01 0.26 53.72 39.39 1.26 5.13 52.36 1.63 0.00 0.10 0.14 2 A H H 68.59 3.43 11.78 16.68 94.18 63.91 -65.41 -38.15 23.10 0.21 76.69 12.63 3.70 7.38 72.64 3.46 0.01 0.09 0.10 3 S H H 70.12 2.21 14.47 16.94 93.33 52.76 -66.37 -38.62 17.43 0.25 82.32 10.18 2.70 5.42 77.14 4.31 0.01 0.13 0.10 4 K H H 98.79 6.68 14.74 22.46 92.82 51.23 -66.59 -39.10 11.39 0.21 88.39 6.56 1.98 3.75 84.24 3.28 0.01 0.11 0.08 5 M H H 68.64 9.99 14.93 25.84 92.43 51.28 -65.39 -40.33 8.94 0.15 90.91 5.15 1.55 2.78 88.72 1.66 0.00 0.07 0.06 6 S H H 56.90 3.61 19.38 23.05 92.05 51.74 -64.08 -40.83 7.41 0.10 92.49 4.23 1.10 2.33 91.40 0.86 0.00 0.04 0.04 7 D H H 73.79 5.40 20.22 25.76 92.27 50.27 -65.19 -40.40 4.73 0.05 95.22 2.08 0.74 2.01 94.53 0.60 0.00 0.02 0.02 8 V H H 31.42 15.50 17.41 33.23 92.28 49.67 -64.93 -42.50 1.93 0.01 98.06 0.70 0.25 0.90 97.82 0.32 0.00 0.00 0.01 9 K H H 94.18 9.42 21.54 31.15 91.74 51.25 -63.14 -41.75 1.52 0.01 98.46 0.51 0.17 0.76 98.30 0.26 0.00 0.00 0.00 10 C H H 65.20 3.80 23.71 26.81 91.88 49.60 -63.90 -42.33 1.73 0.01 98.27 0.50 0.18 0.92 98.18 0.21 0.00 0.00 0.00 11 T H H 38.14 11.02 21.99 33.33 91.85 49.87 -64.66 -41.47 0.84 0.00 99.16 0.25 0.08 0.41 99.18 0.08 0.00 0.00 0.00 12 S H H 16.48 18.36 18.93 37.41 91.96 51.28 -64.03 -41.75 0.41 0.00 99.59 0.08 0.03 0.21 99.63 0.05 0.00 0.00 0.00 13 V H H 70.19 6.30 23.74 30.49 91.60 50.29 -63.78 -42.36 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 14 V H H 69.70 5.31 24.57 29.65 91.59 49.39 -63.91 -43.05 0.12 0.00 99.88 0.01 0.01 0.07 99.89 0.02 0.00 0.00 0.00 15 L H H 27.87 17.56 20.58 38.07 91.47 49.10 -63.71 -42.95 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 16 L H H 36.45 15.48 19.75 35.17 91.46 50.20 -63.29 -41.34 0.20 0.00 99.80 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 17 S H H 55.77 3.46 23.67 26.72 91.38 51.47 -64.05 -41.42 0.61 0.00 99.39 0.05 0.02 0.44 99.43 0.06 0.00 0.00 0.00 18 V H H 44.32 9.10 20.46 30.41 91.94 49.85 -64.50 -42.46 0.70 0.00 99.30 0.06 0.04 0.51 99.18 0.20 0.00 0.00 0.00 19 L H H 15.30 19.10 14.64 34.37 91.87 50.09 -64.35 -41.23 1.00 0.00 98.99 0.13 0.07 0.68 98.53 0.57 0.00 0.00 0.00 20 Q H H 95.65 6.35 17.94 25.27 91.80 51.75 -63.91 -40.01 3.21 0.01 96.78 0.26 0.18 2.61 95.80 1.13 0.01 0.00 0.00 21 Q H H 125.04 2.09 18.11 19.95 91.15 53.23 -65.91 -31.37 9.96 0.01 90.03 0.33 0.42 9.34 88.83 1.05 0.01 0.00 0.01 22 L C T 59.93 10.82 13.12 25.14 94.34 52.01 -85.60 -2.69 71.23 0.08 28.69 1.35 3.27 65.44 28.16 1.66 0.01 0.03 0.08 23 R C T 172.82 2.22 18.63 21.14 95.39 -118.67 59.42 36.84 91.01 0.15 8.84 8.32 2.78 79.61 7.97 1.17 0.00 0.06 0.08 24 V C C 34.43 16.25 10.24 26.34 102.81 142.45 -89.58 17.82 80.79 1.96 17.25 69.42 5.25 6.71 11.05 5.44 0.00 1.03 1.09 25 E C C 119.60 5.36 15.40 22.10 99.08 100.21 -73.66 -24.09 75.55 1.73 22.73 48.77 11.33 15.48 12.03 10.55 0.01 0.89 0.93 26 S C C 82.67 2.65 15.74 18.97 97.96 57.93 -82.78 -3.99 75.23 1.70 23.07 28.49 23.77 23.85 10.74 11.36 0.03 0.76 1.00 27 S C C 45.24 10.65 10.96 22.39 106.59 83.24 -96.05 61.65 82.14 1.16 16.71 48.06 20.68 13.70 9.21 7.12 0.00 0.47 0.75 28 S H H 73.94 3.59 14.74 19.63 96.18 137.08 -68.06 -36.98 40.82 0.37 58.81 18.55 17.55 4.50 57.87 1.23 0.01 0.10 0.19 29 K H H 142.67 1.66 18.05 19.15 92.90 53.41 -65.64 -39.45 4.65 0.02 95.33 1.15 0.84 2.47 94.76 0.75 0.00 0.01 0.01 30 L H H 32.62 15.28 14.66 30.29 92.54 49.06 -65.60 -41.51 2.02 0.01 97.96 0.56 0.24 1.08 97.48 0.62 0.00 0.01 0.00 31 W H H 76.66 13.49 16.16 29.95 91.87 51.52 -63.18 -41.76 0.61 0.00 99.39 0.18 0.06 0.28 99.13 0.34 0.00 0.00 0.00 32 A H H 58.53 2.35 22.63 23.65 91.54 50.59 -63.68 -41.22 0.29 0.00 99.71 0.06 0.02 0.14 99.68 0.10 0.00 0.00 0.00 33 Q H H 71.24 8.33 21.43 30.22 91.94 49.87 -65.09 -41.18 0.27 0.00 99.73 0.04 0.01 0.16 99.72 0.06 0.00 0.00 0.00 34 C H H 7.41 22.33 15.79 38.37 91.57 50.55 -64.09 -42.60 0.22 0.00 99.78 0.03 0.01 0.13 99.79 0.04 0.00 0.00 0.00 35 V H H 63.80 7.53 22.39 30.32 91.54 50.41 -63.58 -42.24 0.16 0.00 99.84 0.02 0.01 0.08 99.86 0.02 0.00 0.00 0.00 36 Q H H 105.85 2.18 25.25 26.01 91.53 50.06 -64.07 -41.83 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 37 L H H 18.39 16.97 19.06 36.45 91.86 49.55 -64.52 -42.45 0.22 0.00 99.78 0.02 0.01 0.14 99.81 0.03 0.00 0.00 0.00 38 H H H 40.82 18.27 19.04 36.58 91.35 51.77 -62.04 -42.67 0.20 0.00 99.79 0.01 0.01 0.13 99.80 0.04 0.00 0.00 0.00 39 N H H 87.87 2.89 24.03 26.07 91.56 50.15 -64.18 -40.53 0.45 0.00 99.55 0.03 0.02 0.34 99.51 0.10 0.00 0.00 0.00 40 D H H 62.50 6.73 21.85 29.08 91.89 49.52 -65.74 -39.76 0.86 0.00 99.14 0.06 0.04 0.70 98.75 0.46 0.00 0.00 0.00 41 I H H 11.29 22.58 14.26 36.86 91.72 50.92 -64.46 -41.28 1.39 0.00 98.60 0.05 0.06 1.24 96.75 1.90 0.00 0.00 0.00 42 L H H 79.97 10.20 18.82 29.40 91.37 52.59 -67.61 -28.95 9.23 0.00 90.77 0.17 0.28 9.26 88.67 1.62 0.01 0.00 0.00 43 L H H 120.31 1.74 20.65 21.20 93.89 51.63 -86.67 -9.50 42.42 0.04 57.54 1.17 1.94 38.59 56.35 1.89 0.01 0.01 0.04 44 A C C 21.04 17.14 7.71 24.28 117.48 108.49 -73.85 142.95 98.08 0.45 1.47 91.01 5.05 1.83 1.33 0.21 0.00 0.12 0.44 45 K C S 169.92 0.99 17.49 17.53 96.94 -160.38 -91.94 -19.64 99.55 0.20 0.25 37.51 60.99 1.09 0.15 0.07 0.00 0.06 0.13 46 D C S 76.60 3.19 19.79 22.91 130.74 34.86 -130.44 150.49 98.95 0.65 0.40 34.15 64.36 0.46 0.30 0.06 0.00 0.12 0.55 47 T H H 47.88 16.87 12.60 29.04 91.98 -120.90 -61.31 -36.62 3.93 0.01 96.07 0.62 0.89 2.24 95.51 0.73 0.00 0.00 0.00 48 T H H 85.25 3.56 20.12 24.06 91.95 55.26 -63.55 -41.46 2.13 0.00 97.87 0.20 0.19 1.58 97.27 0.76 0.00 0.00 0.00 49 E H H 88.52 4.04 21.58 25.60 91.99 48.42 -65.76 -40.26 0.74 0.00 99.25 0.12 0.06 0.48 98.76 0.60 0.00 0.00 0.00 50 A H H 5.10 20.21 14.71 35.80 91.11 51.49 -62.46 -43.56 0.19 0.00 99.81 0.03 0.01 0.10 99.78 0.09 0.00 0.00 0.00 51 F H H 53.57 15.60 20.44 35.51 91.69 50.35 -63.19 -42.27 0.10 0.00 99.90 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 52 E H H 111.73 2.56 25.50 27.17 91.47 50.10 -63.76 -41.68 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 53 K H H 68.36 11.10 22.45 33.57 91.87 49.25 -65.24 -40.88 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 54 M H H 10.60 23.62 18.70 42.15 91.46 50.51 -63.54 -42.67 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 55 V H H 52.24 10.93 23.12 34.20 91.49 50.17 -63.16 -42.22 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 56 S H H 54.17 3.51 25.46 28.49 91.36 50.68 -63.68 -41.95 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 57 L H H 20.12 18.19 20.52 38.70 91.49 50.03 -64.14 -42.81 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 58 L H H 22.22 20.18 20.12 39.57 91.16 50.46 -63.33 -41.66 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 59 S H H 54.75 4.74 23.63 28.45 91.37 51.84 -63.40 -41.58 0.16 0.00 99.84 0.01 0.00 0.11 99.80 0.08 0.00 0.00 0.00 60 V H H 52.47 7.81 21.65 30.18 91.66 49.87 -64.19 -42.71 0.28 0.00 99.72 0.02 0.01 0.21 99.49 0.28 0.00 0.00 0.00 61 L H H 14.77 21.05 16.48 37.50 91.64 49.39 -64.61 -41.31 0.83 0.00 99.17 0.04 0.04 0.69 98.56 0.68 0.00 0.00 0.00 62 L H H 64.02 12.68 17.68 30.48 91.31 52.98 -66.32 -31.58 9.35 0.01 90.64 0.29 0.36 8.72 89.26 1.37 0.01 0.00 0.00 63 S H H 79.75 2.13 19.46 21.15 93.12 56.33 -79.99 -14.62 42.34 0.12 57.54 2.80 2.81 35.57 56.68 1.99 0.02 0.04 0.08 64 M C H 70.00 12.64 11.82 24.82 105.49 82.76 -81.50 81.37 67.51 1.52 30.97 26.50 19.03 22.32 27.26 3.40 0.04 0.55 0.90 65 Q C C 116.16 6.06 13.54 21.08 107.49 -147.02 -81.15 97.96 78.17 2.43 19.40 44.68 10.30 22.88 14.99 4.60 0.01 1.12 1.43 66 G C T 44.40 5.55 12.82 19.87 118.79 121.72 -102.22 167.18 85.75 1.28 12.97 29.00 22.13 35.50 6.75 5.31 0.01 0.58 0.71 67 A C C 87.43 2.54 14.21 17.63 99.91 -74.43 -83.71 -2.93 85.16 2.66 12.18 38.65 23.95 23.17 6.46 5.26 0.01 1.37 1.13 68 V C C 60.15 11.13 10.77 22.74 119.14 93.85 -98.84 139.12 80.20 8.73 11.07 39.33 34.65 6.92 8.33 2.84 0.06 3.80 4.07 69 D C C 84.67 4.49 18.19 23.30 103.49 -123.61 -80.63 88.27 88.82 3.11 8.07 80.38 3.59 4.57 6.98 1.46 0.00 1.75 1.26 70 I H H 40.02 17.69 11.96 29.57 94.81 171.62 -69.60 -30.39 16.70 0.15 83.15 13.28 1.62 2.60 81.04 1.33 0.00 0.06 0.06 71 N H H 89.36 5.96 17.25 24.31 91.96 61.78 -62.57 -40.55 2.82 0.02 97.16 0.82 0.32 1.53 95.88 1.44 0.00 0.01 0.00 72 K H H 120.34 2.03 20.15 21.19 92.15 50.22 -65.78 -40.39 1.46 0.01 98.53 0.35 0.14 0.88 97.15 1.47 0.00 0.01 0.00 73 L H H 40.28 11.00 16.30 28.61 91.89 50.27 -64.67 -42.50 0.90 0.00 99.09 0.22 0.09 0.51 98.13 1.06 0.00 0.00 0.00 74 C H H 27.34 13.64 15.08 29.69 92.00 50.45 -63.77 -42.18 0.75 0.01 99.24 0.19 0.07 0.40 98.92 0.43 0.00 0.00 0.00 75 E H H 101.06 3.05 18.86 21.94 91.84 51.00 -63.76 -41.06 0.99 0.01 99.00 0.18 0.08 0.61 98.53 0.59 0.00 0.00 0.00 76 E H H 98.09 3.16 18.46 21.63 92.04 50.19 -65.29 -41.02 1.76 0.01 98.23 0.24 0.13 1.24 97.55 0.83 0.00 0.00 0.00 77 M H H 52.20 12.08 14.34 27.21 92.33 49.70 -65.84 -40.67 3.98 0.02 96.00 0.51 0.34 2.88 95.24 1.01 0.00 0.01 0.00 78 L H H 70.18 8.59 14.27 23.96 93.04 49.73 -67.63 -35.17 15.98 0.11 83.90 3.10 1.90 10.85 82.49 1.52 0.02 0.05 0.06 79 D H H 102.73 1.86 15.59 17.39 94.78 53.91 -72.92 -28.58 40.73 0.30 58.97 8.34 6.30 25.64 57.56 1.83 0.03 0.11 0.17 80 N C H 86.56 5.22 11.70 18.34 100.14 56.80 -84.36 2.15 62.14 0.67 37.19 26.51 12.27 22.85 34.89 2.84 0.01 0.26 0.36 81 R C H 129.44 6.29 10.92 18.64 98.04 91.77 -72.31 -24.81 52.32 1.47 46.21 30.01 9.04 13.94 33.84 11.70 0.02 0.75 0.70 82 A C H 72.92 3.39 10.64 15.55 98.86 70.12 -75.32 -20.39 54.15 2.17 43.68 26.90 9.84 17.69 27.73 15.66 0.04 1.29 0.84 83 T C C 96.39 2.83 9.66 13.97 102.83 66.46 -83.96 3.23 55.39 4.62 39.99 28.77 9.99 17.61 23.64 15.42 0.09 2.89 1.58 84 L C C 110.13 4.47 7.72 13.81 105.78 80.77 -85.08 48.08 70.37 3.39 26.25 56.39 2.59 12.68 17.76 6.97 0.00 2.15 1.46 85 Q C C 133.74 2.62 11.48 15.67 106.54 -154.87 -86.94 85.47 99.94 0.04 0.02 99.87 0.05 0.04 0.01 0.00 0.00 0.02 0.00