# 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 105.84 8.02 12.38 21.42 115.23 -145.18 -90.59 129.74 99.97 0.02 0.01 99.93 0.04 0.02 0.00 0.00 0.00 0.01 0.00 1 A C C 68.46 5.48 11.28 18.42 113.86 -120.59 -77.94 142.88 95.34 1.48 3.18 94.04 0.47 1.95 1.71 0.56 0.00 0.84 0.42 2 R C C 162.89 3.30 11.80 16.90 112.97 -129.94 -88.52 131.46 88.12 6.76 5.12 76.58 7.80 3.71 3.40 1.70 0.00 4.09 2.71 3 V C C 69.74 10.79 9.20 20.56 117.57 -150.70 -101.33 131.54 87.15 6.36 6.49 77.61 6.97 2.58 5.17 1.58 0.00 4.21 1.89 4 K C C 136.18 3.37 14.55 19.35 113.93 -145.69 -92.53 131.60 86.09 4.33 9.58 74.14 7.76 3.67 8.76 1.65 0.00 2.86 1.16 5 R C C 130.37 8.23 12.20 21.39 109.22 -141.54 -88.46 124.30 76.18 1.95 21.87 55.54 11.68 6.70 22.55 1.87 0.00 1.00 0.65 6 G C H 32.51 7.79 13.29 22.09 115.27 24.79 -33.11 -169.39 53.97 0.68 45.34 34.99 10.47 6.83 45.57 1.60 0.00 0.28 0.26 7 V H H 101.15 2.61 15.03 18.08 94.29 -52.17 -65.26 -37.50 12.86 0.22 86.92 6.62 2.71 4.25 84.62 1.60 0.01 0.10 0.08 8 I H H 92.87 3.44 16.95 20.81 93.01 50.96 -66.13 -40.34 7.31 0.18 92.51 3.73 1.29 2.78 90.57 1.47 0.01 0.10 0.05 9 A H H 20.71 12.49 13.27 27.13 92.36 51.22 -64.86 -41.09 4.59 0.09 95.32 2.41 0.71 1.75 93.88 1.17 0.00 0.05 0.03 10 R H H 110.42 7.40 17.33 25.67 92.05 51.16 -64.04 -40.76 3.17 0.04 96.79 1.39 0.42 1.33 96.21 0.62 0.00 0.02 0.01 11 A H H 54.10 2.76 19.65 21.95 91.78 50.52 -64.16 -41.63 1.90 0.01 98.09 0.71 0.21 0.82 97.93 0.33 0.00 0.00 0.00 12 R H H 102.74 6.72 19.23 26.63 92.12 49.65 -65.41 -40.81 1.48 0.01 98.51 0.46 0.14 0.71 98.42 0.26 0.00 0.00 0.00 13 H H H 41.29 16.08 15.42 31.50 92.14 50.75 -64.39 -41.01 1.08 0.00 98.91 0.30 0.09 0.54 98.87 0.19 0.00 0.00 0.00 14 K H H 108.62 4.68 20.36 25.57 91.64 50.96 -63.94 -40.49 0.89 0.00 99.11 0.23 0.08 0.44 99.11 0.15 0.00 0.00 0.00 15 K H H 110.31 2.64 21.47 23.14 91.89 49.95 -64.67 -41.27 1.06 0.00 98.93 0.25 0.09 0.58 98.90 0.17 0.00 0.00 0.00 16 I H H 29.47 13.66 16.76 31.41 92.20 49.48 -64.59 -42.68 0.87 0.00 99.13 0.17 0.08 0.52 98.94 0.29 0.00 0.00 0.00 17 L H H 44.04 14.17 15.86 30.36 91.95 50.78 -63.69 -40.42 1.09 0.00 98.91 0.16 0.09 0.71 98.20 0.83 0.00 0.00 0.00 18 K H H 134.78 1.92 20.92 21.98 91.90 51.03 -64.81 -38.62 4.26 0.01 95.73 0.29 0.23 3.54 94.07 1.85 0.01 0.00 0.00 19 Q H H 101.46 4.53 18.14 23.26 92.42 50.97 -70.31 -26.89 12.67 0.02 87.31 0.57 0.75 11.11 85.29 2.24 0.02 0.01 0.01 20 A H H 17.56 18.10 10.48 28.16 95.97 56.09 -82.81 -7.39 45.83 0.22 53.95 8.24 5.87 31.90 48.95 4.73 0.03 0.08 0.19 21 K C T 139.42 4.32 15.14 21.66 106.13 117.83 -65.38 115.32 82.64 0.43 16.93 10.62 5.91 66.29 8.85 7.77 0.00 0.20 0.36 22 G C T 60.58 1.40 16.24 17.24 98.69 23.40 80.30 -1.31 87.56 0.41 12.03 11.76 9.18 66.59 3.21 8.77 0.00 0.22 0.27 23 Y C C 101.47 11.34 9.67 21.47 113.52 107.20 -87.86 125.61 90.21 1.73 8.06 72.95 9.59 7.48 2.23 5.87 0.00 0.88 1.00 24 Y C C 161.06 3.26 13.29 18.19 115.25 -169.00 -105.84 127.50 87.57 4.81 7.62 59.43 12.66 15.40 3.38 3.90 0.00 2.24 3.00 25 G C S 41.97 4.58 13.92 19.90 125.90 38.70 116.36 -167.70 87.56 2.44 10.00 26.96 35.59 26.01 3.70 5.36 0.01 1.20 1.19 26 A C C 65.46 4.60 13.40 19.31 111.91 -57.31 -77.86 136.25 83.56 1.31 15.12 59.96 13.34 10.15 9.63 5.52 0.00 0.56 0.83 27 R H H 139.43 6.19 12.20 19.86 96.69 -132.76 -65.62 -35.73 26.54 0.46 72.99 14.20 6.23 7.98 64.49 6.65 0.02 0.21 0.21 28 S H H 75.51 2.59 14.67 17.81 93.88 56.04 -66.03 -36.10 16.06 0.18 83.76 4.96 2.78 8.51 76.20 7.35 0.03 0.09 0.08 29 R H H 137.08 2.65 16.00 18.84 94.16 50.29 -69.80 -35.16 11.24 0.19 88.57 4.48 1.76 5.36 81.44 6.77 0.02 0.11 0.07 30 V H H 44.88 10.61 13.63 25.43 92.97 51.51 -65.46 -41.48 5.34 0.09 94.56 2.73 0.82 2.00 92.91 1.45 0.00 0.05 0.03 31 Y H H 92.39 9.79 16.18 26.59 92.40 50.75 -64.92 -41.55 2.17 0.03 97.81 0.83 0.27 0.93 97.51 0.43 0.00 0.01 0.01 32 R H H 138.14 2.48 20.28 22.30 92.28 49.97 -65.17 -41.40 1.17 0.01 98.82 0.36 0.12 0.56 98.72 0.24 0.00 0.00 0.00 33 V H H 62.85 5.68 19.84 26.17 92.43 49.11 -65.20 -41.94 0.51 0.00 99.49 0.12 0.04 0.25 99.47 0.12 0.00 0.00 0.00 34 A H H 19.41 14.19 16.01 31.26 92.04 50.78 -63.75 -42.32 0.33 0.00 99.67 0.06 0.02 0.17 99.68 0.07 0.00 0.00 0.00 35 F H H 89.34 7.92 20.06 28.41 91.83 49.75 -64.10 -41.56 0.24 0.00 99.76 0.03 0.01 0.13 99.79 0.04 0.00 0.00 0.00 36 Q H H 97.24 3.03 22.18 24.61 91.94 49.83 -64.67 -41.13 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 37 A H H 31.90 9.13 18.47 28.91 92.17 50.18 -64.81 -40.84 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 38 V H H 45.14 12.14 17.98 30.57 92.29 49.22 -64.85 -42.03 0.24 0.00 99.76 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 39 I H H 85.15 4.87 20.72 25.71 91.93 48.91 -64.33 -42.04 0.57 0.00 99.43 0.06 0.03 0.37 99.48 0.06 0.00 0.00 0.00 40 K H H 112.46 3.11 21.37 24.17 92.12 48.68 -64.92 -41.33 0.93 0.00 99.06 0.11 0.06 0.58 99.14 0.10 0.00 0.00 0.00 41 A H H 33.02 9.46 17.46 28.07 92.00 50.51 -64.30 -40.84 0.87 0.00 99.12 0.10 0.05 0.55 99.14 0.15 0.00 0.00 0.00 42 G H H 26.18 8.40 17.86 27.11 92.43 50.90 -63.96 -40.85 1.34 0.00 98.65 0.15 0.07 0.89 98.65 0.23 0.00 0.00 0.00 43 Q H H 96.62 3.16 20.17 23.08 92.19 50.46 -65.22 -41.25 1.18 0.00 98.82 0.16 0.08 0.73 98.77 0.25 0.00 0.00 0.00 44 Y H H 109.74 4.15 19.57 23.93 92.10 49.29 -65.30 -41.34 1.02 0.00 98.98 0.17 0.08 0.61 98.86 0.27 0.00 0.00 0.00 45 A H H 33.72 8.78 16.04 26.02 92.16 51.09 -64.04 -41.46 1.37 0.00 98.63 0.23 0.10 0.83 98.55 0.29 0.00 0.00 0.00 46 Y H H 113.13 4.66 18.29 23.34 92.12 49.71 -65.18 -41.40 1.75 0.00 98.25 0.29 0.15 1.12 98.07 0.38 0.00 0.00 0.00 47 R H H 128.09 2.28 19.06 20.67 92.15 49.68 -64.91 -41.51 2.30 0.00 97.70 0.37 0.20 1.48 97.63 0.32 0.00 0.00 0.00 48 D H H 61.29 5.05 16.81 22.82 92.50 49.50 -66.13 -40.02 4.13 0.00 95.86 0.83 0.34 2.49 96.01 0.32 0.00 0.00 0.00 49 R H H 101.13 7.36 16.15 24.14 92.18 50.88 -64.40 -41.04 1.27 0.00 98.73 0.24 0.12 0.69 98.75 0.19 0.00 0.00 0.00 50 R H H 128.68 2.85 17.87 20.81 92.16 49.84 -65.25 -41.15 0.94 0.00 99.06 0.15 0.07 0.55 99.05 0.17 0.00 0.00 0.00 51 Q H H 94.38 2.51 18.12 20.30 92.02 49.43 -65.01 -41.11 0.95 0.00 99.04 0.17 0.07 0.55 99.05 0.16 0.00 0.00 0.00 52 R H H 108.30 5.59 16.81 23.08 92.08 50.04 -64.59 -41.10 0.74 0.00 99.26 0.14 0.05 0.39 99.31 0.11 0.00 0.00 0.00 53 K H H 92.67 6.94 16.69 24.53 91.98 50.43 -64.64 -40.95 0.55 0.00 99.45 0.08 0.03 0.30 99.48 0.10 0.00 0.00 0.00 54 R H H 126.63 2.87 18.46 21.34 92.16 50.29 -64.91 -41.23 0.38 0.00 99.62 0.05 0.02 0.22 99.64 0.07 0.00 0.00 0.00 55 Q H H 95.20 2.99 19.25 21.95 91.95 49.62 -65.00 -41.42 0.34 0.00 99.66 0.04 0.02 0.20 99.68 0.06 0.00 0.00 0.00 56 F H H 73.07 9.03 17.22 27.19 92.21 49.33 -64.66 -41.81 0.26 0.00 99.74 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 57 R H H 94.71 10.77 17.78 28.84 91.86 51.53 -63.59 -41.05 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 58 Q H H 101.10 3.28 20.74 23.81 91.92 50.22 -64.90 -41.07 0.16 0.00 99.84 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 59 L H H 76.88 4.81 21.22 26.20 92.05 49.62 -64.82 -41.57 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 60 W H H 42.45 16.16 18.20 34.48 91.92 49.51 -64.17 -42.34 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 61 I H H 48.38 13.21 19.88 33.29 91.70 50.07 -63.50 -41.94 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 62 A H H 56.88 3.24 23.91 26.38 91.66 50.33 -64.35 -41.58 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 63 R H H 92.87 9.26 23.10 32.36 91.93 49.28 -65.75 -41.33 0.28 0.00 99.72 0.02 0.01 0.21 99.71 0.05 0.00 0.00 0.00 64 I H H 10.02 22.52 18.36 40.81 91.72 49.31 -64.71 -42.77 0.34 0.00 99.66 0.02 0.02 0.24 99.68 0.04 0.00 0.00 0.00 65 N H H 64.13 9.70 23.05 32.91 91.45 50.95 -63.17 -41.42 0.47 0.00 99.53 0.06 0.02 0.27 99.59 0.06 0.00 0.00 0.00 66 A H H 46.53 3.31 24.31 27.15 91.33 50.49 -63.50 -42.16 0.32 0.00 99.68 0.03 0.01 0.19 99.68 0.09 0.00 0.00 0.00 67 A H H 14.37 12.50 19.02 33.11 91.64 50.48 -64.08 -42.13 0.36 0.00 99.64 0.03 0.02 0.24 99.59 0.13 0.00 0.00 0.00 68 A H H 9.16 17.53 14.12 32.52 91.52 51.22 -63.46 -41.59 0.68 0.00 99.32 0.08 0.04 0.43 99.20 0.24 0.00 0.00 0.00 69 R H H 161.00 2.21 18.86 21.40 91.84 50.48 -63.79 -40.72 1.40 0.00 98.59 0.14 0.07 1.06 97.95 0.79 0.00 0.00 0.00 70 Q H H 129.00 2.17 17.07 19.63 91.60 52.11 -66.48 -30.46 7.09 0.01 92.91 0.19 0.26 6.73 91.98 0.82 0.01 0.00 0.00 71 N C T 70.43 9.60 13.03 23.78 95.36 44.23 -95.94 2.64 63.83 0.01 36.15 0.38 1.20 62.24 35.22 0.94 0.00 0.00 0.01 72 G C T 62.09 0.99 19.10 18.44 95.02 -111.40 76.45 17.86 99.90 0.00 0.09 1.48 1.66 96.81 0.04 0.01 0.00 0.00 0.00 73 I C C 33.69 16.61 9.82 26.43 121.14 135.33 -105.16 140.31 99.60 0.35 0.05 95.27 4.23 0.08 0.03 0.01 0.00 0.09 0.29 74 S C C 58.05 2.97 23.12 24.86 119.13 -126.82 -80.73 154.02 99.75 0.18 0.08 99.52 0.26 0.04 0.04 0.00 0.00 0.04 0.10 75 Y H H 66.46 18.97 12.97 31.11 92.08 -118.96 -59.22 -38.49 2.35 0.01 97.65 0.53 0.33 1.21 97.34 0.59 0.00 0.00 0.00 76 S H H 72.77 2.91 20.64 23.82 91.26 56.30 -63.25 -39.66 0.92 0.00 99.08 0.10 0.07 0.61 98.44 0.78 0.00 0.00 0.00 77 K H H 100.56 5.57 21.48 27.42 91.88 50.13 -65.69 -40.55 0.33 0.00 99.67 0.04 0.02 0.20 99.01 0.73 0.00 0.00 0.00 78 F H H 8.43 23.49 16.01 39.42 91.90 49.37 -64.38 -43.66 0.42 0.00 99.58 0.05 0.03 0.25 99.33 0.34 0.00 0.00 0.00 79 I H H 38.68 14.96 20.24 35.09 91.86 49.29 -64.00 -42.57 0.66 0.00 99.34 0.07 0.04 0.44 99.34 0.11 0.00 0.00 0.00 80 N H H 82.70 2.59 24.63 25.87 91.65 50.53 -63.57 -41.52 0.74 0.00 99.26 0.08 0.04 0.49 99.25 0.14 0.00 0.00 0.00 81 G H H 9.26 12.86 18.89 33.23 91.91 51.32 -63.73 -42.32 1.16 0.00 98.84 0.10 0.07 0.83 98.68 0.32 0.00 0.00 0.00 82 L H H 9.68 21.83 14.71 36.53 92.15 50.49 -64.33 -41.90 1.41 0.00 98.59 0.18 0.12 0.96 98.00 0.74 0.00 0.00 0.00 83 K H H 126.48 4.41 19.37 24.99 91.61 50.89 -63.65 -40.15 2.68 0.01 97.31 0.28 0.18 2.00 96.37 1.16 0.00 0.00 0.00 84 K H H 139.73 2.30 18.78 21.25 91.14 52.29 -65.81 -30.56 10.25 0.01 89.73 0.39 0.49 9.32 88.64 1.13 0.01 0.00 0.01 85 A C T 29.07 14.35 13.02 27.93 94.37 51.99 -87.15 -1.35 80.53 0.05 19.42 0.99 2.69 75.83 19.28 1.14 0.00 0.02 0.06 86 S C T 92.35 1.68 20.34 21.43 94.01 -118.84 62.13 36.34 98.79 0.03 1.18 4.17 2.12 92.73 0.70 0.24 0.00 0.02 0.01 87 V C C 23.44 19.79 10.21 29.33 115.74 149.27 -99.63 126.31 96.66 2.45 0.89 92.94 2.90 1.10 0.36 0.38 0.00 1.68 0.64 88 E C C 141.25 2.01 22.86 24.29 109.95 -139.41 -91.21 115.96 93.99 5.45 0.56 90.13 3.25 1.02 0.24 0.24 0.00 4.09 1.03 89 I C C 21.81 22.77 9.80 31.39 124.76 164.51 -119.69 139.24 94.28 5.50 0.23 85.98 8.90 0.21 0.15 0.07 0.00 2.89 1.79 90 D C C 79.24 3.68 22.65 25.59 117.16 -115.89 -78.28 151.18 99.24 0.55 0.21 98.84 0.55 0.09 0.15 0.02 0.00 0.23 0.13 91 R H H 110.01 14.12 14.47 28.38 92.02 -116.98 -59.93 -37.04 1.69 0.00 98.31 0.25 0.21 0.96 98.27 0.30 0.00 0.00 0.00 92 K H H 123.66 4.58 20.54 25.78 91.83 54.54 -63.76 -40.55 0.87 0.00 99.13 0.08 0.06 0.63 98.83 0.39 0.00 0.00 0.00 93 I H H 44.20 11.75 20.45 32.81 92.04 48.95 -65.43 -42.03 0.61 0.00 99.39 0.06 0.03 0.45 99.01 0.44 0.00 0.00 0.00 94 L H H 8.55 22.79 18.49 41.00 91.45 50.18 -63.16 -42.95 0.19 0.00 99.81 0.02 0.01 0.11 99.79 0.07 0.00 0.00 0.00 95 A H H 17.84 15.22 20.98 36.67 91.27 51.41 -63.17 -41.62 0.30 0.00 99.70 0.03 0.01 0.17 99.72 0.06 0.00 0.00 0.00 96 D H H 62.37 6.73 25.53 32.73 91.67 50.60 -64.66 -40.94 0.59 0.00 99.41 0.04 0.03 0.44 99.39 0.11 0.00 0.00 0.00 97 I H H 16.05 17.11 21.17 38.60 91.74 50.56 -64.38 -41.58 0.50 0.00 99.50 0.03 0.03 0.36 99.34 0.23 0.00 0.00 0.00 98 A H H 8.71 20.93 17.86 38.75 91.68 51.93 -65.30 -35.98 1.38 0.00 98.61 0.11 0.07 1.11 98.03 0.68 0.00 0.00 0.00 99 V H H 65.49 10.64 20.82 31.35 95.46 48.68 -74.78 -33.92 7.54 0.00 92.45 0.12 0.22 7.48 91.52 0.65 0.00 0.00 0.00 100 F H H 111.94 6.13 20.12 26.73 101.47 32.09 -95.38 -28.07 15.14 0.03 84.83 0.35 1.47 12.99 84.74 0.41 0.02 0.01 0.02 101 D C C 57.30 10.27 16.88 27.80 116.89 17.54 -138.18 98.02 98.85 0.16 0.99 93.18 4.76 0.84 0.95 0.09 0.00 0.04 0.13 102 K H H 95.23 13.51 15.06 28.58 93.78 -176.06 -62.82 -36.05 2.32 0.00 97.68 0.31 0.21 1.53 97.21 0.75 0.00 0.00 0.00 103 V H H 93.34 3.06 23.11 25.93 91.79 54.84 -64.13 -40.52 0.91 0.00 99.09 0.06 0.05 0.70 98.52 0.67 0.00 0.00 0.00 104 A H H 18.80 12.83 19.70 33.60 91.64 50.31 -64.65 -42.02 0.27 0.00 99.73 0.03 0.01 0.17 99.23 0.56 0.00 0.00 0.00 105 F H H 7.74 24.17 17.33 41.46 91.58 50.23 -63.58 -42.90 0.19 0.00 99.81 0.02 0.01 0.12 99.67 0.18 0.00 0.00 0.00 106 T H H 52.09 9.09 23.91 33.21 91.50 50.89 -63.57 -41.88 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.05 0.00 0.00 0.00 107 A H H 41.35 4.88 24.82 30.02 91.33 51.11 -63.38 -42.56 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 108 L H H 11.22 20.00 20.79 40.68 91.50 49.52 -64.28 -43.35 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 109 V H H 16.33 20.11 19.76 39.56 91.53 49.90 -63.46 -42.77 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 110 E H H 109.09 3.20 25.10 27.88 91.40 50.29 -63.57 -41.76 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 111 K H H 98.31 5.46 23.54 29.07 91.82 48.81 -65.20 -40.95 0.20 0.00 99.80 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 112 A H H 6.49 20.65 14.96 36.02 91.64 50.32 -64.44 -41.63 0.37 0.00 99.63 0.04 0.02 0.23 99.63 0.08 0.00 0.00 0.00 113 K H H 96.60 9.92 18.75 28.95 91.65 52.22 -62.91 -41.27 0.86 0.00 99.14 0.09 0.05 0.59 98.97 0.31 0.00 0.00 0.00 114 A H H 73.06 1.64 19.92 20.09 92.12 50.71 -65.24 -38.22 3.06 0.00 96.94 0.20 0.16 2.43 96.41 0.81 0.00 0.00 0.00 115 A H H 51.64 8.24 14.83 24.27 92.63 51.93 -69.88 -32.17 11.89 0.01 88.10 0.67 0.59 9.98 87.79 0.96 0.00 0.00 0.01 116 L H H 60.20 13.45 10.79 24.15 96.66 51.21 -82.01 -15.24 38.19 0.14 61.67 12.21 1.31 22.82 62.42 1.09 0.00 0.04 0.12 117 A C C 79.46 3.38 15.49 20.05 102.47 100.20 -66.90 48.66 99.91 0.01 0.07 99.73 0.08 0.13 0.05 0.00 0.00 0.00 0.00