# 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 111.60 5.86 11.22 18.62 114.03 -154.67 -88.20 132.93 99.96 0.02 0.02 99.89 0.06 0.04 0.01 0.00 0.00 0.01 0.00 1 S C C 69.30 4.40 9.98 16.10 113.24 -135.44 -87.39 139.63 83.97 0.79 15.23 79.10 1.10 5.74 9.86 3.36 0.00 0.34 0.49 2 Q C C 131.94 3.03 9.88 14.46 100.48 -139.50 -79.21 -5.97 68.26 1.00 30.75 37.25 14.33 17.08 19.50 10.79 0.01 0.43 0.63 3 K C C 140.05 3.03 11.12 15.50 102.23 73.31 -83.78 0.16 66.22 1.08 32.70 35.58 14.02 16.87 21.52 10.86 0.01 0.45 0.69 4 N C C 100.59 3.73 12.13 17.26 108.28 77.25 -92.42 88.17 65.51 0.68 33.81 35.02 19.35 11.52 28.56 4.84 0.01 0.23 0.46 5 G H H 34.08 5.91 13.71 20.85 113.40 37.69 48.39 -149.16 37.14 0.30 62.57 14.66 14.08 8.84 60.48 1.66 0.01 0.08 0.19 6 I H H 92.49 6.21 13.85 21.19 93.85 -17.86 -66.39 -37.64 8.66 0.09 91.25 3.58 1.61 3.50 90.14 1.08 0.01 0.03 0.05 7 A H H 58.07 3.16 16.36 19.94 92.01 53.10 -64.34 -40.07 3.75 0.04 96.21 1.79 0.53 1.47 95.33 0.85 0.00 0.02 0.02 8 T H H 54.94 5.30 16.09 22.80 92.21 50.40 -64.93 -40.84 1.47 0.01 98.52 0.64 0.18 0.60 98.12 0.45 0.00 0.00 0.00 9 L H H 58.72 9.95 15.39 26.43 92.19 50.97 -64.58 -41.69 0.64 0.00 99.36 0.21 0.06 0.29 99.27 0.17 0.00 0.00 0.00 10 L H H 81.03 4.61 18.58 23.45 91.86 50.46 -64.25 -41.15 0.43 0.00 99.57 0.11 0.03 0.21 99.57 0.08 0.00 0.00 0.00 11 Q H H 99.64 2.21 20.50 21.57 91.78 49.81 -64.56 -41.28 0.37 0.00 99.63 0.08 0.03 0.19 99.65 0.05 0.00 0.00 0.00 12 A H H 28.76 8.63 15.69 26.26 91.81 50.73 -64.22 -41.34 0.34 0.00 99.66 0.06 0.02 0.18 99.69 0.05 0.00 0.00 0.00 13 E H H 76.69 8.81 17.32 26.91 91.84 51.45 -63.78 -41.32 0.33 0.00 99.67 0.05 0.02 0.18 99.72 0.04 0.00 0.00 0.00 14 K H H 123.18 1.83 20.77 21.07 92.11 49.73 -64.70 -41.65 0.38 0.00 99.62 0.05 0.02 0.21 99.67 0.04 0.00 0.00 0.00 15 E H H 95.50 3.01 19.53 22.23 91.83 48.82 -64.91 -41.23 0.48 0.00 99.52 0.06 0.03 0.27 99.59 0.05 0.00 0.00 0.00 16 A H H 26.24 11.09 14.40 27.09 91.90 51.17 -63.82 -40.95 0.59 0.00 99.41 0.08 0.03 0.33 99.49 0.07 0.00 0.00 0.00 17 H H H 104.31 4.62 18.14 23.27 91.66 51.46 -64.12 -40.36 0.64 0.00 99.36 0.08 0.03 0.39 99.42 0.09 0.00 0.00 0.00 18 E H H 116.86 1.46 20.06 19.58 91.93 50.36 -65.12 -41.53 0.60 0.00 99.40 0.07 0.03 0.36 99.47 0.07 0.00 0.00 0.00 19 I H H 72.01 5.56 17.78 24.22 92.20 48.11 -65.04 -42.25 0.49 0.00 99.51 0.07 0.03 0.28 99.55 0.06 0.00 0.00 0.00 20 V H H 46.01 10.02 15.20 26.45 92.20 48.97 -64.48 -41.95 0.37 0.00 99.63 0.06 0.02 0.20 99.65 0.06 0.00 0.00 0.00 21 S H H 56.07 2.88 18.68 21.36 91.45 50.83 -63.59 -41.48 0.45 0.00 99.55 0.06 0.02 0.26 99.58 0.08 0.00 0.00 0.00 22 K H H 116.22 1.76 19.81 20.12 91.80 49.19 -65.30 -41.19 0.50 0.00 99.50 0.05 0.03 0.32 99.50 0.10 0.00 0.00 0.00 23 A H H 32.15 7.90 15.10 24.86 92.02 50.77 -64.44 -41.14 0.53 0.00 99.47 0.07 0.03 0.31 99.49 0.10 0.00 0.00 0.00 24 R H H 112.65 6.24 16.90 23.87 92.08 51.28 -64.35 -40.53 0.68 0.00 99.32 0.10 0.04 0.39 99.36 0.11 0.00 0.00 0.00 25 K H H 128.69 1.41 19.20 19.00 91.84 50.29 -64.76 -41.31 0.80 0.00 99.20 0.11 0.05 0.49 99.25 0.11 0.00 0.00 0.00 26 Y H H 120.38 2.80 17.63 20.37 92.29 49.02 -65.23 -41.73 0.80 0.00 99.20 0.14 0.06 0.44 99.24 0.12 0.00 0.00 0.00 27 R H H 93.13 7.87 15.41 24.28 92.21 49.79 -64.95 -40.84 0.60 0.00 99.40 0.11 0.04 0.32 99.44 0.09 0.00 0.00 0.00 28 Q H H 86.14 4.11 16.87 21.61 91.84 50.72 -64.43 -41.04 0.57 0.00 99.43 0.09 0.04 0.32 99.48 0.08 0.00 0.00 0.00 29 D H H 85.34 1.53 18.85 18.76 91.74 49.94 -64.81 -41.17 0.64 0.00 99.36 0.10 0.04 0.35 99.43 0.07 0.00 0.00 0.00 30 K H H 100.00 4.13 17.10 21.82 92.19 49.62 -65.73 -41.07 0.60 0.00 99.40 0.10 0.04 0.33 99.47 0.07 0.00 0.00 0.00 31 L H H 63.59 8.35 14.77 24.26 92.21 50.47 -64.63 -41.47 0.42 0.00 99.58 0.08 0.03 0.21 99.61 0.06 0.00 0.00 0.00 32 K H H 121.42 2.10 18.36 19.86 91.89 50.47 -64.07 -41.46 0.43 0.00 99.57 0.07 0.02 0.23 99.61 0.06 0.00 0.00 0.00 33 Q H H 106.27 1.56 19.27 19.16 91.96 49.10 -65.22 -41.09 0.61 0.00 99.39 0.09 0.04 0.35 99.44 0.08 0.00 0.00 0.00 34 A H H 36.26 7.15 15.10 23.98 92.25 50.45 -64.31 -41.44 0.65 0.00 99.35 0.11 0.04 0.34 99.42 0.08 0.00 0.00 0.00 35 K H H 100.43 6.56 16.83 24.18 92.13 50.90 -63.74 -41.14 0.62 0.00 99.38 0.12 0.04 0.32 99.44 0.08 0.00 0.00 0.00 36 T H H 79.63 1.61 19.62 19.48 91.84 49.37 -64.44 -41.89 0.64 0.00 99.35 0.11 0.05 0.34 99.43 0.08 0.00 0.00 0.00 37 D H H 77.79 2.38 19.02 20.68 91.84 49.20 -65.14 -41.05 0.69 0.00 99.31 0.11 0.05 0.38 99.38 0.08 0.00 0.00 0.00 38 A H H 30.02 8.76 14.40 25.01 92.03 50.88 -64.29 -40.84 0.77 0.00 99.23 0.13 0.05 0.42 99.32 0.08 0.00 0.00 0.00 39 A H H 53.99 4.78 17.14 22.68 91.53 52.02 -63.46 -40.65 0.60 0.00 99.40 0.10 0.04 0.30 99.49 0.06 0.00 0.00 0.00 40 K H H 130.15 1.21 19.20 18.30 91.94 50.07 -65.09 -41.09 0.49 0.00 99.51 0.08 0.03 0.25 99.58 0.06 0.00 0.00 0.00 41 E H H 96.14 3.55 17.60 21.46 92.08 49.26 -65.15 -41.24 0.52 0.00 99.48 0.09 0.03 0.27 99.53 0.07 0.00 0.00 0.00 42 I H H 60.01 8.34 14.77 24.43 92.21 48.89 -64.99 -41.64 0.39 0.00 99.60 0.07 0.02 0.22 99.62 0.06 0.00 0.00 0.00 43 D H H 81.39 2.53 17.90 20.22 91.71 50.65 -64.01 -41.32 0.34 0.00 99.66 0.04 0.02 0.20 99.67 0.07 0.00 0.00 0.00 44 S H H 60.86 1.68 18.19 18.55 91.72 49.95 -64.21 -41.27 0.61 0.00 99.39 0.05 0.03 0.43 99.39 0.10 0.00 0.00 0.00 45 Y H H 92.51 5.60 15.60 22.53 92.23 49.96 -64.84 -41.56 0.52 0.00 99.48 0.06 0.03 0.33 99.47 0.11 0.00 0.00 0.00 46 K H H 97.97 5.89 15.85 22.68 91.90 51.26 -63.92 -41.05 0.44 0.00 99.56 0.07 0.03 0.24 99.56 0.09 0.00 0.00 0.00 47 I H H 98.52 1.63 17.98 18.35 91.84 49.73 -64.47 -41.29 0.60 0.00 99.40 0.09 0.04 0.35 99.42 0.09 0.00 0.00 0.00 48 Q H H 98.96 2.09 17.84 19.23 91.98 49.69 -64.75 -41.14 0.56 0.00 99.44 0.08 0.04 0.32 99.47 0.09 0.00 0.00 0.00 49 K H H 82.55 6.88 15.09 23.31 91.95 50.06 -65.17 -40.69 0.63 0.00 99.37 0.10 0.04 0.34 99.43 0.08 0.00 0.00 0.00 50 D H H 72.76 4.08 16.31 21.28 91.89 51.14 -64.45 -40.46 0.67 0.00 99.33 0.12 0.04 0.35 99.41 0.09 0.00 0.00 0.00 51 K H H 122.15 1.34 18.47 17.99 91.90 49.91 -65.06 -41.00 0.58 0.00 99.42 0.09 0.04 0.31 99.47 0.09 0.00 0.00 0.00 52 E H H 90.18 3.42 16.75 20.70 91.95 50.00 -65.02 -40.98 0.67 0.00 99.33 0.10 0.04 0.38 99.37 0.11 0.00 0.00 0.00 53 L H H 57.92 8.46 13.71 23.70 92.15 50.65 -64.57 -40.58 0.65 0.00 99.35 0.10 0.04 0.37 99.35 0.13 0.00 0.00 0.00 54 K H H 117.71 2.42 16.82 19.35 91.80 51.83 -63.94 -40.77 0.64 0.00 99.35 0.10 0.04 0.37 99.33 0.16 0.00 0.00 0.00 55 E H H 110.02 1.47 17.65 17.63 92.00 50.38 -64.58 -41.16 1.18 0.00 98.82 0.16 0.08 0.73 98.73 0.29 0.00 0.00 0.00 56 F H H 80.36 5.72 14.39 21.63 92.54 49.57 -65.31 -40.34 2.15 0.01 97.84 0.35 0.18 1.36 97.49 0.60 0.00 0.00 0.00 57 E H H 76.75 8.31 12.20 21.90 92.11 52.11 -64.70 -38.78 4.33 0.01 95.66 0.79 0.43 2.77 94.83 1.18 0.00 0.00 0.00 58 Q H H 132.71 1.16 15.04 15.47 92.07 51.68 -66.64 -35.76 12.80 0.03 87.17 1.70 1.11 9.62 84.96 2.57 0.01 0.01 0.02 59 K H H 152.31 1.14 14.37 14.77 94.31 50.80 -73.83 -25.17 26.66 0.09 73.24 2.80 2.83 20.78 70.45 3.00 0.04 0.03 0.06 60 N C H 79.66 6.90 9.07 17.37 101.87 46.01 -101.79 16.80 60.85 0.52 38.62 19.93 8.94 32.14 34.87 3.54 0.02 0.17 0.39 61 A C T 80.36 3.13 10.33 15.41 105.74 133.42 -70.74 106.39 84.23 0.73 15.04 27.50 11.71 45.28 10.36 4.29 0.00 0.31 0.54 62 G C T 62.26 0.99 13.34 13.71 101.26 25.81 72.71 -7.68 88.66 0.43 10.92 12.26 24.99 51.95 5.49 4.77 0.00 0.18 0.35 63 G C C 44.27 3.97 11.18 16.59 112.72 57.27 -83.23 145.67 89.32 0.61 10.07 48.32 24.07 17.19 5.51 4.19 0.00 0.22 0.50 64 V C H 92.49 4.88 10.94 17.29 104.33 -136.11 -82.73 -25.01 56.19 0.49 43.33 31.89 15.94 8.06 41.13 2.52 0.01 0.14 0.31 65 G H H 45.93 2.24 14.58 16.91 99.07 53.95 -56.15 -50.90 28.33 0.18 71.50 11.26 8.40 9.46 68.32 2.40 0.01 0.06 0.10 66 E H H 121.22 1.85 15.38 16.85 94.03 42.09 -67.22 -37.94 9.37 0.07 90.55 4.44 1.66 3.42 88.82 1.59 0.00 0.03 0.03 67 L H H 61.64 6.72 12.59 21.15 92.71 52.73 -65.26 -40.06 3.29 0.03 96.68 1.56 0.48 1.21 95.82 0.91 0.00 0.01 0.01 68 E H H 91.46 5.51 14.63 21.45 92.16 52.03 -64.33 -40.39 1.85 0.01 98.14 0.81 0.23 0.69 97.79 0.47 0.00 0.01 0.00 69 K H H 129.53 1.53 17.59 18.09 92.19 50.07 -65.05 -41.10 1.36 0.01 98.63 0.47 0.16 0.58 98.53 0.26 0.00 0.00 0.00 70 K H H 121.26 2.08 17.57 19.18 92.16 49.22 -65.10 -40.76 1.21 0.00 98.79 0.33 0.13 0.57 98.76 0.20 0.00 0.00 0.00 71 A H H 38.24 7.77 14.15 23.51 92.26 50.28 -64.19 -41.50 1.39 0.01 98.61 0.36 0.13 0.67 98.62 0.21 0.00 0.00 0.00 72 E H H 102.46 4.39 17.15 22.33 91.80 50.24 -64.39 -40.18 1.94 0.01 98.05 0.48 0.18 0.97 98.12 0.24 0.00 0.00 0.00 73 A H H 63.62 1.86 18.68 19.38 92.04 50.59 -64.89 -41.14 2.56 0.00 97.44 0.44 0.23 1.53 97.54 0.25 0.00 0.00 0.00 74 G H H 33.85 3.59 17.47 21.54 92.57 49.85 -65.08 -40.52 4.64 0.01 95.35 1.00 0.41 2.63 95.66 0.30 0.00 0.00 0.00 75 V H H 48.42 9.20 14.81 25.24 92.52 49.85 -64.97 -41.23 2.77 0.01 97.23 0.93 0.30 1.14 97.40 0.22 0.00 0.00 0.00 76 Q H H 108.08 2.82 18.28 21.30 91.81 51.12 -63.86 -40.87 1.01 0.00 98.98 0.27 0.09 0.44 99.08 0.12 0.00 0.00 0.00 77 G H H 38.10 2.00 18.69 19.74 91.99 49.94 -64.05 -41.71 0.87 0.00 99.13 0.19 0.07 0.42 99.22 0.10 0.00 0.00 0.00 78 E H H 91.45 5.34 17.64 23.60 92.14 49.60 -65.58 -40.98 0.61 0.00 99.39 0.12 0.04 0.29 99.47 0.08 0.00 0.00 0.00 79 L H H 58.45 9.56 15.44 26.06 92.00 50.78 -64.17 -41.17 0.37 0.00 99.63 0.07 0.02 0.18 99.68 0.05 0.00 0.00 0.00 80 A H H 56.53 2.34 18.91 20.70 91.50 50.83 -63.60 -41.31 0.28 0.00 99.72 0.04 0.01 0.14 99.77 0.03 0.00 0.00 0.00 81 E H H 104.33 2.44 19.14 20.90 91.96 49.94 -64.83 -40.96 0.32 0.00 99.68 0.04 0.02 0.18 99.73 0.03 0.00 0.00 0.00 82 I H H 50.21 10.96 14.90 26.96 92.10 50.05 -64.58 -41.53 0.27 0.00 99.73 0.04 0.01 0.15 99.76 0.04 0.00 0.00 0.00 83 K H H 108.32 5.24 17.61 23.67 91.56 51.54 -63.48 -41.15 0.26 0.00 99.74 0.03 0.01 0.13 99.78 0.04 0.00 0.00 0.00 84 K H H 119.67 1.39 19.74 19.06 91.93 49.80 -64.77 -41.42 0.48 0.00 99.52 0.05 0.02 0.29 99.57 0.06 0.00 0.00 0.00 85 I H H 60.58 5.41 16.29 23.15 91.88 49.57 -64.51 -41.29 0.62 0.00 99.38 0.06 0.04 0.39 99.40 0.11 0.00 0.00 0.00 86 A H H 28.13 12.27 11.92 25.26 91.96 51.76 -64.12 -39.50 1.06 0.00 98.94 0.12 0.06 0.69 98.81 0.32 0.00 0.00 0.00 87 E H H 132.94 1.95 16.01 18.15 92.05 51.30 -66.41 -36.17 2.77 0.00 97.23 0.14 0.13 2.35 96.61 0.78 0.00 0.00 0.00 88 K H H 153.02 0.97 16.08 15.57 93.81 48.20 -74.06 -29.14 10.83 0.00 89.17 0.16 0.42 10.48 88.06 0.87 0.00 0.00 0.00 89 K C T 95.01 6.67 12.19 20.31 104.38 30.84 -115.85 21.92 64.58 0.04 35.38 6.19 3.04 52.53 36.80 1.39 0.00 0.01 0.04 90 K H H 92.88 10.67 11.55 23.19 93.27 129.89 -58.74 -42.34 2.49 0.00 97.51 0.49 0.16 1.49 95.88 1.98 0.00 0.00 0.00 91 D H H 104.84 1.92 17.33 19.13 92.40 51.59 -65.12 -38.56 1.53 0.00 98.47 0.10 0.07 1.19 96.97 1.66 0.00 0.00 0.00 92 D H H 80.34 2.93 18.60 21.33 92.24 49.74 -66.70 -39.93 0.64 0.00 99.36 0.08 0.03 0.42 97.99 1.48 0.00 0.00 0.00 93 V H H 30.19 12.65 14.75 28.64 91.96 50.36 -64.24 -43.07 0.25 0.00 99.75 0.03 0.01 0.14 99.69 0.12 0.00 0.00 0.00 94 V H H 49.02 10.06 17.15 28.13 91.77 49.99 -63.55 -42.32 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.03 0.00 0.00 0.00 95 K H H 116.21 2.79 20.39 22.87 91.71 50.43 -63.58 -41.41 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 96 I H H 72.77 6.19 18.77 25.79 91.98 49.77 -64.93 -41.54 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 97 L H H 45.44 13.53 16.61 30.55 91.86 50.18 -64.09 -42.75 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 98 I H H 67.04 8.37 17.67 26.72 91.68 49.67 -64.26 -41.17 0.26 0.00 99.74 0.02 0.01 0.18 99.69 0.10 0.00 0.00 0.00 99 E H H 108.30 2.73 19.24 21.73 91.95 51.11 -65.69 -39.59 0.94 0.00 99.05 0.05 0.04 0.80 98.66 0.46 0.00 0.00 0.00 100 T H H 46.60 9.26 15.46 25.93 92.92 50.86 -67.74 -36.96 4.39 0.00 95.60 0.16 0.17 3.99 94.30 1.37 0.00 0.00 0.00 101 V H H 53.60 12.60 14.24 26.96 94.76 45.60 -73.42 -34.61 12.04 0.02 87.94 0.61 0.79 10.50 86.81 1.26 0.01 0.00 0.01 102 I H H 99.52 5.59 15.16 21.44 98.84 41.79 -90.58 -19.98 32.90 0.38 66.71 6.01 6.86 21.07 64.14 1.43 0.09 0.11 0.29 103 K C S 132.74 2.82 15.20 18.82 108.36 63.43 -99.85 90.73 92.75 0.82 6.43 38.22 48.19 5.74 6.29 0.76 0.00 0.26 0.53 104 P C C 77.09 9.40 9.10 19.42 107.70 -165.83 -70.09 122.92 94.53 1.02 4.44 73.24 14.53 6.68 2.89 1.65 0.00 0.53 0.49 105 S C C 84.52 2.36 14.36 17.33 110.19 134.69 -102.44 99.26 93.68 3.08 3.24 78.02 11.56 4.02 1.95 1.37 0.00 1.75 1.32 106 A C C 59.96 9.59 8.82 19.24 113.62 -145.11 -77.61 139.41 92.58 4.51 2.91 84.87 5.92 2.13 1.49 1.23 0.00 3.01 1.35 107 E C C 140.43 2.13 13.89 17.04 117.53 -153.04 -103.47 134.21 89.43 8.30 2.27 82.15 6.03 1.34 1.48 0.79 0.00 4.80 3.41 108 V C C 88.15 8.01 8.66 18.04 114.69 -130.20 -85.13 134.56 91.80 5.93 2.27 86.44 4.71 1.05 1.48 0.69 0.00 3.75 1.88 109 H C C 102.96 5.42 9.10 16.39 111.68 -114.81 -75.13 137.54 94.20 2.28 3.52 91.10 2.49 1.36 1.68 1.25 0.00 1.20 0.93 110 I C G 139.34 1.61 9.72 12.51 96.10 -132.91 -66.23 -27.61 59.82 1.06 39.12 18.71 9.65 31.69 5.61 33.25 0.01 0.58 0.50 111 N C T 123.29 1.82 8.89 11.67 98.57 59.90 -81.02 -5.01 63.76 0.79 35.45 16.19 8.84 38.20 5.12 30.81 0.00 0.43 0.40 112 A C C 65.94 5.70 7.07 14.24 101.70 77.52 -85.81 1.16 67.34 1.35 31.31 48.85 3.95 15.61 4.40 25.85 0.00 0.78 0.56 113 L C C 108.49 5.14 10.76 17.37 109.16 85.62 -85.65 107.24 99.89 0.07 0.04 99.70 0.14 0.10 0.02 0.00 0.00 0.03 0.01