# 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 106.41 6.09 11.41 18.87 113.22 -155.03 -89.18 132.98 99.97 0.01 0.02 99.90 0.05 0.03 0.01 0.00 0.00 0.00 0.00 1 T C C 98.24 2.67 10.77 14.88 106.90 -141.99 -85.72 78.21 75.67 0.57 23.76 68.31 1.38 6.64 20.80 2.29 0.00 0.24 0.34 2 M C C 111.62 4.34 9.67 15.63 109.56 55.84 -85.59 121.87 68.95 0.67 30.38 46.18 12.85 8.92 28.10 3.30 0.00 0.26 0.39 3 D C C 88.67 3.07 13.02 17.03 107.60 -118.94 -79.50 130.69 62.45 0.44 37.11 50.10 5.92 4.89 36.51 2.20 0.00 0.16 0.22 4 T H H 68.23 8.97 10.81 20.61 95.05 -123.84 -64.30 -38.43 11.52 0.07 88.41 6.21 2.22 3.34 86.85 1.32 0.00 0.03 0.03 5 A H H 69.83 2.18 14.94 17.34 92.62 52.75 -65.23 -39.45 6.13 0.03 93.83 2.51 0.92 2.61 92.86 1.07 0.00 0.01 0.01 6 Q H H 107.05 1.96 16.38 17.94 92.64 49.83 -66.05 -40.20 4.21 0.03 95.76 1.87 0.61 1.77 94.75 0.98 0.00 0.01 0.01 7 L H H 44.68 10.63 13.62 25.61 92.13 50.47 -64.48 -42.04 2.23 0.01 97.76 0.94 0.29 0.94 97.37 0.45 0.00 0.01 0.01 8 K H H 83.42 9.86 16.00 26.60 91.53 51.39 -63.11 -41.52 1.21 0.00 98.78 0.42 0.13 0.53 98.75 0.17 0.00 0.00 0.00 9 S H H 56.86 2.31 19.27 20.87 91.90 50.56 -63.99 -41.21 1.27 0.01 98.72 0.38 0.12 0.61 98.75 0.14 0.00 0.00 0.00 10 Q H H 89.04 3.71 19.60 23.40 91.90 49.67 -65.10 -41.29 0.70 0.00 99.30 0.18 0.06 0.34 99.35 0.07 0.00 0.00 0.00 11 I H H 29.26 15.11 15.64 31.36 91.97 49.81 -64.37 -43.02 0.24 0.00 99.76 0.05 0.02 0.11 99.80 0.03 0.00 0.00 0.00 12 Q H H 77.77 9.40 18.21 28.24 91.52 50.94 -63.14 -41.37 0.18 0.00 99.82 0.03 0.01 0.08 99.86 0.02 0.00 0.00 0.00 13 Q H H 105.29 1.85 20.92 21.23 92.12 49.94 -64.91 -41.47 0.21 0.00 99.79 0.03 0.01 0.11 99.82 0.03 0.00 0.00 0.00 14 Y H H 93.55 6.03 18.13 25.22 92.14 49.35 -65.05 -41.63 0.29 0.00 99.70 0.03 0.02 0.17 99.73 0.04 0.00 0.00 0.00 15 L H H 25.95 14.67 12.86 28.38 92.24 49.97 -64.78 -41.55 0.78 0.00 99.22 0.12 0.06 0.46 99.23 0.13 0.00 0.00 0.00 16 V H H 81.54 5.41 15.85 22.32 92.77 48.08 -66.15 -40.12 2.63 0.02 97.35 0.36 0.22 1.84 97.18 0.38 0.01 0.01 0.00 17 E H H 142.84 1.20 16.42 16.71 92.79 50.50 -68.43 -33.00 8.61 0.02 91.38 0.46 0.57 7.20 91.36 0.39 0.01 0.00 0.01 18 S C T 59.30 5.22 13.66 20.20 95.68 45.80 -87.92 -11.17 59.20 0.07 40.73 1.51 5.14 49.32 43.15 0.79 0.01 0.02 0.06 19 G C T 44.58 4.63 15.27 21.29 96.74 -114.95 79.95 7.14 96.45 0.10 3.45 10.61 18.83 66.73 3.14 0.58 0.00 0.04 0.07 20 N C C 63.39 8.11 15.48 25.08 98.87 115.02 -87.14 13.07 69.33 0.17 30.50 57.79 4.79 4.25 31.94 1.07 0.00 0.05 0.12 21 Y H H 73.10 15.71 13.13 28.48 93.41 105.32 -61.96 -41.24 3.87 0.01 96.12 1.34 0.54 1.64 95.76 0.71 0.00 0.00 0.00 22 E H H 127.75 1.91 20.24 21.43 92.20 51.97 -64.69 -40.30 1.24 0.00 98.76 0.29 0.11 0.68 98.18 0.75 0.00 0.00 0.00 23 L H H 82.41 3.44 20.29 23.60 91.91 49.69 -65.01 -41.73 0.65 0.00 99.34 0.13 0.05 0.37 98.61 0.82 0.00 0.00 0.00 24 I H H 17.48 17.61 15.59 33.77 92.09 49.77 -64.45 -42.84 0.48 0.00 99.51 0.09 0.04 0.29 99.22 0.37 0.00 0.00 0.00 25 S H H 32.42 12.48 17.92 30.97 91.68 51.54 -62.55 -41.73 0.61 0.00 99.39 0.07 0.03 0.40 99.26 0.25 0.00 0.00 0.00 26 N H H 95.34 2.00 22.35 22.86 91.94 50.19 -64.69 -41.12 1.11 0.00 98.89 0.05 0.04 0.93 98.73 0.24 0.00 0.00 0.00 27 E H H 84.44 5.96 20.82 27.25 92.03 49.17 -65.40 -41.74 0.71 0.00 99.29 0.05 0.03 0.52 99.25 0.14 0.00 0.00 0.00 28 L H H 19.92 18.75 16.42 35.20 92.01 49.25 -64.64 -42.22 0.60 0.00 99.40 0.08 0.03 0.38 99.41 0.09 0.00 0.00 0.00 29 K H H 86.84 10.40 19.36 30.02 91.43 52.00 -62.94 -41.34 0.24 0.00 99.76 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 30 A H H 54.70 2.33 21.86 22.97 91.41 50.56 -63.67 -41.90 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 31 R H H 84.88 7.80 19.44 28.15 92.01 50.02 -64.94 -41.18 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.05 0.00 0.00 0.00 32 L H H 14.23 18.34 13.07 31.95 92.00 50.10 -64.18 -41.82 0.18 0.00 99.82 0.01 0.01 0.13 99.72 0.13 0.00 0.00 0.00 33 L H H 94.72 5.23 17.03 23.31 92.08 50.00 -64.19 -40.78 0.63 0.00 99.37 0.03 0.02 0.52 99.14 0.28 0.00 0.00 0.00 34 Q H H 138.39 1.05 17.89 17.55 91.45 52.42 -66.11 -31.23 4.92 0.00 95.08 0.06 0.12 5.07 94.51 0.25 0.00 0.00 0.00 35 E C T 83.91 8.17 13.68 23.27 94.06 49.94 -89.63 -0.56 80.62 0.01 19.37 0.19 1.31 78.05 20.09 0.35 0.00 0.00 0.01 36 G C T 40.77 3.95 19.01 23.64 95.99 -107.85 81.08 10.17 99.52 0.01 0.48 1.01 1.83 96.77 0.34 0.04 0.00 0.00 0.00 37 W H H 35.19 16.12 14.24 31.23 94.73 122.04 -69.98 -31.67 7.89 0.01 92.10 5.82 0.58 1.40 91.76 0.43 0.00 0.00 0.00 38 V H H 44.98 15.36 15.77 30.83 92.17 59.70 -62.90 -42.63 0.91 0.00 99.09 0.13 0.06 0.55 99.03 0.23 0.00 0.00 0.00 39 D H H 91.74 1.82 22.20 22.33 92.00 50.60 -64.54 -40.98 0.27 0.00 99.73 0.03 0.02 0.17 99.60 0.19 0.00 0.00 0.00 40 K H H 105.38 3.82 21.38 25.14 91.92 49.52 -65.68 -41.14 0.15 0.00 99.85 0.01 0.01 0.09 99.78 0.11 0.00 0.00 0.00 41 V H H 11.99 19.66 15.12 35.00 91.94 49.98 -64.42 -43.03 0.14 0.00 99.86 0.01 0.01 0.09 99.84 0.05 0.00 0.00 0.00 42 K H H 85.64 10.94 19.53 30.55 91.55 51.37 -62.15 -41.91 0.22 0.00 99.78 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 43 D H H 87.19 1.72 23.63 23.03 91.84 49.71 -64.63 -41.43 0.52 0.00 99.48 0.04 0.02 0.37 99.50 0.07 0.00 0.00 0.00 44 L H H 57.50 7.93 20.41 29.27 92.07 49.29 -65.19 -41.50 0.67 0.00 99.33 0.07 0.04 0.44 99.35 0.10 0.00 0.00 0.00 45 T H H 10.90 19.36 14.60 34.30 92.00 50.34 -64.27 -42.07 0.73 0.00 99.27 0.11 0.05 0.44 99.26 0.14 0.00 0.00 0.00 46 K H H 106.47 5.84 20.17 26.77 91.55 51.42 -63.15 -41.21 0.73 0.00 99.27 0.10 0.05 0.46 99.08 0.31 0.00 0.00 0.00 47 S H H 59.88 1.95 21.22 21.49 91.87 49.97 -64.73 -41.40 1.73 0.00 98.26 0.16 0.11 1.33 97.88 0.51 0.00 0.00 0.00 48 E H H 54.96 9.40 16.11 26.98 92.52 48.94 -66.50 -39.94 3.42 0.01 96.57 0.35 0.29 2.59 95.91 0.85 0.00 0.00 0.00 49 M H H 45.05 14.18 11.67 26.23 92.72 52.26 -67.82 -34.47 11.09 0.04 88.87 1.94 1.28 7.58 87.27 1.88 0.01 0.02 0.02 50 N H H 118.23 1.88 15.25 17.52 93.17 56.34 -70.44 -26.15 31.38 0.06 68.56 3.72 2.59 24.13 67.69 1.81 0.01 0.02 0.04 51 I C H 128.20 1.47 13.80 15.05 99.01 45.29 -88.99 -17.97 54.05 0.17 45.78 8.83 11.71 31.97 45.40 1.89 0.02 0.05 0.14 52 N C C 85.40 6.51 9.98 17.98 114.46 49.25 -112.00 105.43 87.73 0.31 11.96 53.20 15.51 18.99 9.09 2.79 0.00 0.11 0.31 53 E C C 150.79 2.16 12.71 16.02 99.47 -147.85 -72.67 -13.47 96.17 0.33 3.50 40.28 33.79 22.22 0.92 2.43 0.00 0.14 0.23 54 S C C 77.54 3.42 13.38 17.98 111.26 44.70 -102.04 100.31 97.07 0.65 2.28 60.30 20.38 16.34 0.51 1.81 0.00 0.35 0.30 55 T C C 49.42 12.99 9.67 22.96 113.72 163.37 -94.84 124.06 97.01 2.05 0.93 86.76 9.34 0.91 0.53 0.35 0.00 0.89 1.23 56 N C C 79.68 3.37 18.78 22.07 120.94 -154.49 -96.56 157.15 94.04 4.98 0.98 89.45 3.97 0.32 0.88 0.13 0.00 1.11 4.15 57 F H H 88.22 13.47 12.18 25.72 92.75 -112.89 -59.78 -38.29 1.68 0.00 98.31 0.33 0.27 0.86 98.25 0.28 0.00 0.00 0.00 58 T H H 90.99 2.31 17.05 19.64 92.33 53.19 -64.42 -40.40 0.63 0.00 99.37 0.08 0.05 0.39 99.21 0.27 0.00 0.00 0.00 59 Q H H 91.23 3.52 17.76 21.67 92.15 48.68 -66.18 -40.06 0.24 0.00 99.76 0.04 0.02 0.14 99.49 0.32 0.00 0.00 0.00 60 I H H 20.40 16.55 13.50 30.69 91.94 50.55 -63.94 -43.12 0.18 0.00 99.82 0.02 0.01 0.11 99.68 0.19 0.00 0.00 0.00 61 L H H 54.24 12.52 15.88 28.95 91.76 50.71 -63.56 -40.25 0.24 0.00 99.76 0.02 0.01 0.16 99.61 0.20 0.00 0.00 0.00 62 S H H 69.73 2.22 19.90 21.34 92.61 51.03 -66.84 -37.50 1.25 0.00 98.75 0.03 0.02 1.22 98.21 0.52 0.00 0.00 0.00 63 T H H 68.12 5.93 19.02 25.51 94.81 46.35 -75.03 -36.32 7.74 0.00 92.26 0.07 0.13 8.29 90.80 0.70 0.00 0.00 0.00 64 V H H 17.31 18.93 13.98 32.80 97.69 40.03 -88.34 -26.00 12.19 0.01 87.80 0.26 0.72 11.19 87.18 0.63 0.01 0.00 0.00 65 E H H 72.12 12.83 15.85 28.94 92.69 72.78 -59.37 -44.30 3.77 0.01 96.23 1.21 0.44 1.71 94.42 2.21 0.00 0.00 0.00 66 P H H 78.58 2.29 20.76 21.91 92.17 50.19 -64.02 -39.92 1.80 0.00 98.19 0.36 0.14 1.08 95.78 2.63 0.00 0.00 0.00 67 K H H 98.00 4.88 20.02 25.32 92.09 49.31 -66.11 -40.22 0.62 0.00 99.38 0.08 0.05 0.38 97.53 1.95 0.00 0.00 0.00 68 A H H 10.05 18.88 13.27 32.38 91.83 50.98 -63.92 -40.90 0.70 0.00 99.29 0.09 0.05 0.45 97.80 1.60 0.00 0.00 0.00 69 L H H 79.26 10.44 17.02 27.91 91.63 52.29 -64.43 -35.65 2.19 0.00 97.81 0.13 0.12 1.82 93.79 4.14 0.00 0.00 0.00 70 E H H 143.70 1.27 20.42 20.19 92.15 54.36 -70.51 -25.88 14.79 0.00 85.21 0.25 0.38 14.78 81.65 2.94 0.00 0.00 0.00 71 M H H 89.54 8.29 16.71 25.72 96.56 51.00 -88.41 -16.05 39.32 0.03 60.66 1.01 1.95 36.18 58.18 2.63 0.01 0.01 0.03 72 V C S 19.44 21.89 8.58 28.95 118.39 89.98 -90.21 136.68 99.44 0.18 0.38 11.49 87.55 0.40 0.37 0.03 0.00 0.03 0.14 73 S C C 50.49 4.51 17.38 22.73 114.31 -107.35 -65.40 150.18 99.69 0.08 0.23 99.46 0.23 0.08 0.16 0.01 0.00 0.02 0.05 74 D H H 110.12 2.99 13.98 18.76 91.87 -112.93 -58.76 -36.91 3.23 0.00 96.77 0.54 0.48 1.88 96.51 0.58 0.00 0.00 0.00 75 S H H 75.07 1.59 17.98 18.59 91.91 54.53 -64.47 -39.26 1.73 0.00 98.27 0.14 0.12 1.33 97.67 0.74 0.00 0.00 0.00 76 T H H 24.93 13.31 14.50 28.95 92.37 48.68 -65.59 -41.47 0.67 0.00 99.33 0.08 0.04 0.44 98.72 0.71 0.00 0.00 0.00 77 R H H 75.97 13.71 15.78 29.52 91.51 51.91 -62.16 -42.14 0.24 0.00 99.76 0.04 0.01 0.13 99.67 0.15 0.00 0.00 0.00 78 E H H 108.90 2.44 21.02 22.66 91.65 50.23 -64.16 -41.64 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.04 0.00 0.00 0.00 79 T H H 59.94 4.62 20.21 25.26 91.73 49.49 -64.39 -42.05 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 80 V H H 22.31 16.23 17.08 33.79 91.95 49.56 -64.05 -43.05 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.04 0.00 0.00 0.00 81 L H H 54.92 10.54 19.10 30.30 91.43 50.34 -63.30 -41.10 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 82 K H H 114.55 2.23 22.03 23.01 91.81 50.44 -64.67 -41.56 0.15 0.00 99.85 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 83 Q H H 69.80 7.45 19.58 27.84 91.74 50.10 -65.03 -41.83 0.14 0.00 99.86 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 84 I H H 32.00 16.12 16.79 33.23 91.90 49.47 -64.06 -42.53 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 85 R H H 110.72 6.81 19.36 26.69 91.52 51.38 -62.96 -41.45 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 86 E H H 102.91 2.21 20.78 21.85 91.92 50.09 -64.53 -41.73 0.16 0.00 99.84 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 87 F H H 59.69 8.99 17.69 28.00 91.98 49.60 -64.38 -42.67 0.24 0.00 99.76 0.02 0.01 0.15 99.78 0.05 0.00 0.00 0.00 88 L H H 43.59 12.47 15.46 28.68 92.08 49.74 -64.39 -41.37 0.34 0.00 99.66 0.04 0.02 0.21 99.66 0.08 0.00 0.00 0.00 89 E H H 101.02 3.25 17.28 20.93 91.70 51.34 -64.24 -40.17 0.91 0.00 99.09 0.11 0.05 0.60 99.01 0.23 0.00 0.00 0.00 90 E H H 108.06 2.11 17.13 18.79 92.40 50.53 -66.06 -39.64 2.93 0.00 97.07 0.30 0.17 2.19 96.86 0.47 0.00 0.00 0.00 91 I H H 59.41 8.26 13.14 22.89 93.57 49.01 -67.53 -39.84 6.26 0.02 93.72 1.00 0.63 4.24 93.30 0.80 0.00 0.01 0.01 92 V H H 67.92 7.13 11.27 19.72 94.34 49.85 -71.96 -35.12 14.79 0.14 85.06 4.43 2.29 7.88 83.82 1.44 0.02 0.06 0.07 93 D H H 109.79 1.50 11.61 13.59 96.39 55.72 -74.67 -21.77 37.40 0.34 62.26 12.38 4.48 20.13 60.89 1.80 0.02 0.13 0.18 94 T C H 100.24 2.18 9.44 12.79 101.03 59.72 -85.09 -2.49 63.57 0.26 36.16 35.20 1.54 24.06 37.61 1.33 0.00 0.10 0.16 95 Q C C 123.67 3.68 9.95 15.40 104.69 91.23 -81.67 54.05 99.96 0.01 0.03 99.86 0.05 0.06 0.02 0.00 0.00 0.00 0.00