# 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 56.14 6.43 15.08 22.55 109.83 -124.79 -79.65 136.37 99.84 0.02 0.14 99.75 0.06 0.08 0.09 0.00 0.00 0.00 0.00 1 Q H H 100.00 7.25 11.50 19.83 97.55 62.20 -70.12 -31.44 48.28 0.25 51.47 41.44 1.03 4.93 51.17 1.21 0.00 0.09 0.13 2 R H H 153.27 2.16 12.83 15.84 93.91 61.94 -65.76 -38.53 22.10 0.18 77.73 13.80 3.09 5.03 76.28 1.65 0.00 0.07 0.08 3 K H H 122.36 2.40 15.34 18.09 92.86 52.62 -65.80 -39.84 11.05 0.12 88.83 6.88 1.50 2.93 86.63 1.97 0.00 0.06 0.04 4 L H H 47.25 11.91 13.39 26.22 92.48 50.62 -66.17 -40.08 5.92 0.06 94.02 3.45 0.81 1.73 92.47 1.50 0.00 0.03 0.02 5 Q H H 77.03 8.77 16.16 25.91 92.29 52.18 -64.79 -39.47 3.53 0.02 96.44 1.82 0.45 1.16 95.80 0.76 0.00 0.01 0.01 6 Q H H 97.01 2.44 19.95 21.51 92.29 51.54 -65.01 -41.12 2.54 0.01 97.44 1.03 0.31 0.99 97.24 0.41 0.00 0.00 0.00 7 D H H 57.88 7.39 19.45 27.74 92.17 49.86 -65.29 -40.58 2.04 0.01 97.95 0.77 0.23 0.86 97.85 0.29 0.00 0.00 0.00 8 I H H 21.96 18.29 16.18 34.53 92.26 50.47 -64.30 -42.18 1.14 0.00 98.86 0.39 0.11 0.47 98.87 0.15 0.00 0.00 0.00 9 D H H 69.63 5.96 21.27 27.70 91.38 51.39 -63.59 -40.96 0.76 0.00 99.23 0.23 0.06 0.33 99.27 0.11 0.00 0.00 0.00 10 K H H 110.25 2.63 23.26 24.74 91.71 49.92 -64.83 -41.27 0.67 0.00 99.33 0.12 0.05 0.37 99.35 0.11 0.00 0.00 0.00 11 L H H 23.61 15.44 18.73 34.76 91.89 49.50 -64.70 -42.55 0.69 0.00 99.31 0.10 0.04 0.40 99.34 0.10 0.00 0.00 0.00 12 L H H 36.26 16.07 18.84 34.73 91.64 50.96 -63.73 -41.21 0.62 0.00 99.38 0.11 0.04 0.32 99.44 0.08 0.00 0.00 0.00 13 K H H 115.81 2.45 24.06 25.46 91.34 51.02 -63.99 -41.39 0.57 0.00 99.43 0.09 0.03 0.32 99.47 0.08 0.00 0.00 0.00 14 K H H 91.22 6.70 22.59 29.52 91.66 49.41 -65.13 -40.95 0.67 0.00 99.33 0.09 0.04 0.42 99.35 0.10 0.00 0.00 0.00 15 V H H 11.85 20.76 16.78 37.54 91.99 50.01 -64.60 -42.31 0.60 0.00 99.40 0.12 0.05 0.33 99.41 0.10 0.00 0.00 0.00 16 K H H 100.86 7.13 22.78 30.31 91.40 51.29 -63.05 -41.47 0.68 0.00 99.32 0.12 0.04 0.39 99.34 0.11 0.00 0.00 0.00 17 E H H 99.94 2.38 24.43 25.21 91.70 49.70 -64.54 -41.59 0.82 0.00 99.18 0.09 0.05 0.54 99.21 0.12 0.00 0.00 0.00 18 G H H 9.57 14.46 18.49 33.91 92.09 50.68 -63.96 -42.00 1.93 0.00 98.07 0.21 0.10 1.33 98.19 0.16 0.00 0.00 0.00 19 I H H 34.50 15.74 18.68 34.44 91.96 49.69 -64.44 -41.26 0.98 0.00 99.02 0.17 0.07 0.56 99.06 0.14 0.00 0.00 0.00 20 E H H 108.47 2.38 23.67 24.76 91.45 50.83 -63.88 -41.69 0.55 0.00 99.45 0.09 0.04 0.31 99.45 0.11 0.00 0.00 0.00 21 D H H 70.57 5.02 22.07 27.24 91.89 49.36 -65.03 -40.95 0.79 0.00 99.21 0.09 0.04 0.53 99.21 0.13 0.00 0.00 0.00 22 F H H 22.47 19.02 16.06 35.10 91.99 50.19 -64.82 -41.31 0.58 0.00 99.42 0.07 0.03 0.35 99.45 0.10 0.00 0.00 0.00 23 D H H 67.36 7.82 20.21 28.67 91.36 52.38 -62.88 -40.44 0.45 0.00 99.55 0.06 0.02 0.26 99.60 0.06 0.00 0.00 0.00 24 D H H 81.91 1.97 22.67 22.75 91.84 50.35 -64.74 -41.02 0.53 0.00 99.47 0.05 0.02 0.35 99.49 0.09 0.00 0.00 0.00 25 I H H 31.45 12.58 18.14 31.82 92.13 49.63 -64.75 -42.67 0.50 0.00 99.50 0.04 0.03 0.34 99.49 0.10 0.00 0.00 0.00 26 Y H H 44.82 16.37 16.11 32.49 91.78 50.81 -63.47 -41.82 0.36 0.00 99.64 0.03 0.02 0.23 99.61 0.11 0.00 0.00 0.00 27 E H H 110.25 2.22 21.29 22.46 91.32 51.18 -63.61 -40.97 0.54 0.00 99.46 0.04 0.02 0.38 99.26 0.29 0.00 0.00 0.00 28 K H H 106.80 3.55 19.78 23.45 91.95 50.01 -65.30 -40.13 1.45 0.00 98.55 0.10 0.07 1.16 98.02 0.64 0.00 0.00 0.00 29 F H H 30.96 17.90 13.18 30.93 92.29 50.11 -66.27 -38.39 2.95 0.00 97.05 0.22 0.21 2.30 96.02 1.25 0.00 0.00 0.00 30 Q H H 100.07 7.86 16.56 25.34 91.91 55.48 -68.67 -25.96 16.80 0.03 83.17 1.12 1.24 14.10 81.99 1.51 0.01 0.01 0.02 31 S C T 87.14 1.25 17.91 17.85 95.59 53.78 -89.02 -5.39 57.19 0.12 42.68 7.06 4.99 43.37 42.19 2.26 0.01 0.04 0.09 32 T C C 41.02 14.18 8.16 22.21 117.61 104.66 -78.32 144.12 90.61 0.46 8.93 55.59 27.49 7.23 7.48 1.58 0.00 0.11 0.52 33 D C C 97.32 2.68 15.63 18.94 109.82 -117.32 -86.95 118.96 98.88 0.25 0.87 90.57 6.91 1.43 0.46 0.30 0.00 0.08 0.25 34 P C T 84.22 8.67 9.73 19.57 96.10 -141.14 -65.06 -21.63 95.75 0.16 4.09 33.56 10.54 51.94 0.97 2.81 0.00 0.08 0.11 35 S C T 93.30 1.25 13.84 14.58 96.38 61.81 -83.43 -6.34 95.41 0.17 4.41 23.47 16.80 55.38 1.19 2.96 0.00 0.08 0.13 36 N C C 73.13 5.66 10.52 18.13 109.17 83.19 -101.72 103.60 92.38 0.46 7.16 64.86 24.78 2.75 5.26 1.74 0.00 0.13 0.48 37 S H H 75.55 3.48 12.07 17.44 94.48 -168.61 -63.89 -33.64 14.79 0.05 85.16 4.48 2.72 7.57 81.05 4.12 0.01 0.02 0.03 38 S H H 78.33 1.19 15.61 15.67 92.75 55.78 -65.76 -38.05 11.04 0.04 88.92 2.46 1.41 6.85 85.35 3.89 0.01 0.02 0.02 39 H H H 69.88 7.68 13.53 22.87 93.07 49.91 -66.86 -39.23 4.79 0.03 95.19 1.82 0.61 2.24 92.43 2.88 0.00 0.01 0.01 40 R H H 74.91 13.60 13.04 26.81 91.84 53.61 -62.61 -41.47 1.70 0.01 98.29 0.70 0.20 0.67 97.81 0.61 0.00 0.00 0.00 41 E H H 116.36 2.04 19.90 21.07 92.11 50.92 -64.57 -40.92 0.96 0.00 99.04 0.28 0.09 0.45 98.89 0.29 0.00 0.00 0.00 42 K H H 118.00 2.20 20.81 22.02 91.91 49.66 -65.26 -41.22 0.98 0.00 99.02 0.23 0.08 0.52 98.91 0.25 0.00 0.00 0.00 43 L H H 21.67 16.30 15.59 32.45 92.11 48.73 -65.04 -41.92 0.73 0.00 99.27 0.15 0.05 0.39 99.25 0.15 0.00 0.00 0.00 44 E H H 64.57 12.15 18.43 30.85 91.63 52.11 -62.49 -41.97 0.48 0.00 99.52 0.10 0.03 0.24 99.55 0.08 0.00 0.00 0.00 45 S H H 59.04 1.98 22.94 22.99 91.47 50.00 -64.09 -41.61 0.56 0.00 99.44 0.10 0.03 0.31 99.48 0.08 0.00 0.00 0.00 46 D H H 61.06 6.03 21.41 27.99 91.76 49.51 -65.19 -40.93 0.55 0.00 99.45 0.10 0.03 0.30 99.50 0.07 0.00 0.00 0.00 47 L H H 12.85 20.52 14.99 35.70 91.43 50.60 -64.17 -41.50 0.51 0.00 99.49 0.09 0.03 0.28 99.51 0.08 0.00 0.00 0.00 48 K H H 102.35 6.96 21.41 28.98 91.29 52.01 -63.10 -41.07 0.33 0.00 99.67 0.05 0.02 0.18 99.71 0.05 0.00 0.00 0.00 49 R H H 136.31 1.75 24.08 23.75 91.68 49.63 -64.51 -41.85 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 50 E H H 42.86 13.04 19.81 33.31 92.10 49.55 -64.94 -41.42 0.22 0.00 99.78 0.02 0.01 0.13 99.80 0.03 0.00 0.00 0.00 51 I H H 19.24 18.57 17.15 35.84 91.53 50.66 -63.59 -41.97 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 52 K H H 115.07 2.60 24.03 25.74 91.39 51.25 -63.62 -41.06 0.19 0.00 99.81 0.02 0.01 0.11 99.81 0.04 0.00 0.00 0.00 53 K H H 96.18 4.58 23.00 27.59 91.60 50.12 -64.60 -41.27 0.48 0.00 99.52 0.04 0.02 0.34 99.51 0.10 0.00 0.00 0.00 54 L H H 10.12 20.68 15.67 36.75 91.54 50.37 -64.48 -41.49 0.62 0.00 99.38 0.06 0.03 0.42 99.31 0.17 0.00 0.00 0.00 55 Q H H 80.02 8.79 21.30 30.40 91.58 52.84 -63.00 -41.16 1.44 0.00 98.55 0.22 0.10 0.97 98.26 0.44 0.00 0.00 0.00 56 K H H 120.84 1.73 23.88 23.51 91.81 50.32 -64.45 -41.16 6.64 0.00 93.36 0.28 0.24 5.82 93.01 0.64 0.00 0.00 0.00 57 H H H 40.89 13.94 19.04 33.33 92.34 48.62 -66.70 -39.84 5.68 0.00 94.31 0.41 0.27 4.57 94.28 0.47 0.00 0.00 0.00 58 R H H 54.41 17.56 17.12 33.96 91.66 55.49 -61.49 -42.37 0.46 0.00 99.54 0.09 0.03 0.24 99.52 0.12 0.00 0.00 0.00 59 D H H 86.35 2.15 23.86 24.48 91.40 50.40 -64.22 -40.40 0.28 0.00 99.72 0.03 0.01 0.18 99.66 0.12 0.00 0.00 0.00 60 Q H H 83.09 5.33 22.12 27.74 91.79 50.17 -64.96 -41.02 0.41 0.00 99.59 0.03 0.01 0.31 99.50 0.15 0.00 0.00 0.00 61 I H H 8.41 21.87 14.91 37.04 91.80 50.07 -64.45 -42.33 0.30 0.00 99.70 0.02 0.01 0.19 99.68 0.09 0.00 0.00 0.00 62 K H H 94.33 9.13 20.40 29.89 91.54 52.24 -62.48 -41.02 0.67 0.00 99.33 0.05 0.02 0.50 99.07 0.36 0.00 0.00 0.00 63 T H H 78.75 1.77 22.64 22.21 92.01 50.07 -64.50 -41.03 2.25 0.00 97.75 0.11 0.10 1.90 96.39 1.50 0.00 0.00 0.00 64 W H H 51.10 12.76 17.00 30.75 92.28 49.77 -66.08 -40.30 2.47 0.00 97.52 0.16 0.14 2.01 94.82 2.87 0.00 0.00 0.00 65 L H H 34.17 17.23 13.32 30.43 91.83 53.12 -68.07 -30.09 14.17 0.01 85.81 0.64 0.64 12.75 83.63 2.32 0.01 0.00 0.01 66 S C T 82.46 2.14 17.69 19.84 92.91 58.16 -79.79 -11.62 57.03 0.06 42.91 2.57 3.02 49.87 41.96 2.50 0.01 0.02 0.05 67 K C S 93.48 6.72 11.20 19.86 112.46 95.72 -79.49 135.38 87.70 0.50 11.80 35.01 40.68 11.48 9.76 2.43 0.00 0.14 0.51 68 E C T 149.61 2.25 13.07 16.73 95.13 -134.99 -68.60 -19.67 61.28 0.41 38.31 13.48 15.10 32.59 16.14 22.14 0.02 0.17 0.37 69 D C T 99.76 3.05 13.87 17.99 95.44 67.78 -79.34 -9.65 61.17 0.54 38.29 19.18 12.37 29.81 15.69 22.28 0.01 0.23 0.43 70 V C C 30.26 15.83 8.31 23.48 103.46 66.62 -93.63 47.67 55.48 1.03 43.49 33.34 9.98 12.20 21.16 22.18 0.01 0.45 0.68 71 K H G 138.99 2.97 14.35 18.68 94.51 126.78 -63.14 -37.43 38.57 0.52 60.92 15.98 6.47 15.39 29.36 32.27 0.01 0.24 0.28 72 D H G 119.47 1.10 16.07 16.18 93.41 49.30 -72.36 -17.71 41.60 0.31 58.09 10.61 6.85 22.59 27.27 32.31 0.02 0.14 0.21 73 K H H 74.20 11.99 12.39 24.84 98.50 52.36 -95.31 -1.22 45.70 0.37 53.93 24.61 5.58 15.25 27.54 26.63 0.00 0.17 0.23 74 Q H H 71.57 12.97 13.06 26.36 92.61 97.78 -60.20 -41.96 15.29 0.08 84.64 10.88 1.89 2.48 83.24 1.45 0.00 0.02 0.03 75 S H H 75.67 1.54 20.61 20.47 92.42 51.58 -64.47 -40.10 4.60 0.02 95.37 2.42 0.53 1.47 94.56 1.01 0.00 0.01 0.01 76 V H H 64.68 6.11 19.65 26.44 92.20 49.27 -65.73 -41.21 2.35 0.02 97.63 1.07 0.26 0.91 96.84 0.91 0.00 0.01 0.00 77 L H H 12.66 20.15 14.35 34.69 91.95 50.35 -64.47 -42.21 1.49 0.01 98.50 0.65 0.16 0.58 98.03 0.58 0.00 0.01 0.00 78 M H H 73.28 8.00 20.57 29.19 91.62 50.88 -63.50 -41.60 0.84 0.00 99.15 0.35 0.09 0.32 99.07 0.16 0.00 0.00 0.00 79 T H H 73.49 2.30 23.35 24.05 91.72 49.53 -64.06 -42.20 0.72 0.00 99.27 0.21 0.06 0.33 99.30 0.09 0.00 0.00 0.00 80 N H H 35.73 13.96 19.26 33.46 91.97 49.64 -65.31 -41.09 0.69 0.00 99.31 0.15 0.04 0.37 99.36 0.08 0.00 0.00 0.00 81 R H H 57.96 16.68 18.53 34.60 91.72 52.01 -63.16 -41.41 0.26 0.00 99.74 0.05 0.01 0.13 99.77 0.04 0.00 0.00 0.00 82 R H H 134.89 2.55 24.31 26.08 91.41 50.84 -63.77 -41.63 0.19 0.00 99.81 0.03 0.01 0.10 99.84 0.03 0.00 0.00 0.00 83 L H H 64.11 7.18 22.46 30.12 91.75 50.18 -64.38 -42.23 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 84 I H H 12.76 20.91 17.41 38.40 92.02 49.06 -64.49 -42.94 0.13 0.00 99.87 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 85 E H H 80.93 8.86 22.16 31.19 91.60 50.49 -63.42 -41.60 0.17 0.00 99.83 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 86 N H H 82.31 2.55 24.35 25.44 92.02 49.05 -64.84 -41.58 0.32 0.00 99.68 0.03 0.01 0.20 99.72 0.04 0.00 0.00 0.00 87 G H H 11.84 13.37 19.26 33.58 92.11 50.23 -64.39 -41.35 0.74 0.00 99.26 0.05 0.03 0.52 99.32 0.08 0.00 0.00 0.00 88 M H H 28.63 17.54 17.74 35.35 91.86 51.36 -64.28 -41.51 1.23 0.00 98.76 0.12 0.06 0.89 98.64 0.29 0.00 0.00 0.00 89 E H H 106.27 2.91 23.83 26.02 91.70 51.42 -63.86 -41.23 1.73 0.00 98.26 0.17 0.09 1.28 98.05 0.41 0.00 0.00 0.00 90 R H H 117.72 4.69 22.69 27.43 91.79 49.65 -65.05 -41.08 1.36 0.00 98.64 0.13 0.08 0.96 98.58 0.25 0.00 0.00 0.00 91 F H H 24.43 18.63 16.85 35.52 91.96 50.64 -64.30 -41.97 0.48 0.00 99.52 0.08 0.03 0.26 99.53 0.11 0.00 0.00 0.00 92 K H H 91.61 8.49 21.21 30.01 91.68 51.92 -63.46 -41.37 0.29 0.00 99.71 0.04 0.02 0.15 99.72 0.06 0.00 0.00 0.00 93 S H H 56.33 2.68 22.87 24.44 91.82 50.15 -64.67 -41.47 0.34 0.00 99.66 0.04 0.02 0.19 99.68 0.07 0.00 0.00 0.00 94 V H H 31.68 11.40 19.01 31.59 92.04 49.47 -65.15 -42.13 0.35 0.00 99.65 0.05 0.02 0.19 99.67 0.07 0.00 0.00 0.00 95 E H H 41.19 13.91 17.28 31.76 92.18 51.04 -63.58 -41.84 0.44 0.00 99.56 0.07 0.03 0.23 99.58 0.09 0.00 0.00 0.00 96 K H H 114.22 3.16 21.28 24.16 91.87 50.38 -64.06 -41.05 0.82 0.00 99.18 0.12 0.05 0.49 99.15 0.19 0.00 0.00 0.00 97 L H H 81.34 4.33 19.79 24.49 92.26 49.74 -65.48 -40.53 1.77 0.00 98.23 0.25 0.13 1.11 98.13 0.37 0.00 0.00 0.00 98 M H H 46.62 12.20 15.82 28.92 92.69 50.12 -66.86 -39.65 5.90 0.02 94.08 1.16 0.61 3.72 93.59 0.90 0.01 0.01 0.01 99 K H H 100.01 6.65 17.64 25.06 92.44 52.65 -65.42 -36.47 15.91 0.09 84.01 3.79 1.85 9.91 82.33 2.02 0.01 0.03 0.05 100 T H H 76.12 3.08 17.04 20.25 93.69 51.27 -70.21 -36.81 20.91 0.16 78.93 7.13 3.28 10.67 75.91 2.85 0.02 0.06 0.09 101 K H H 108.83 5.20 15.58 21.68 95.23 54.42 -68.80 -37.44 19.44 0.20 80.36 7.45 3.50 8.90 73.10 6.82 0.02 0.09 0.10 102 Q H H 96.85 5.34 15.70 22.04 94.76 53.69 -68.47 -35.66 25.94 0.22 73.84 6.89 3.85 15.26 66.45 7.28 0.03 0.10 0.12 103 F H H 103.15 5.92 14.17 21.28 97.96 44.36 -84.39 -16.97 35.86 0.40 63.75 12.22 5.31 18.98 56.27 6.77 0.03 0.17 0.24 104 S H H 48.16 6.07 13.48 21.20 100.82 83.20 -69.27 -41.84 22.94 0.25 76.82 14.18 3.77 5.90 71.65 4.29 0.00 0.10 0.11 105 K H H 126.60 3.35 14.82 19.03 94.27 49.88 -66.89 -37.53 12.01 0.11 87.88 4.01 2.14 6.28 80.73 6.72 0.02 0.06 0.05 106 E H H 111.89 2.22 15.40 17.68 92.54 52.59 -66.01 -38.65 9.47 0.08 90.46 2.47 1.40 5.49 82.55 8.01 0.02 0.04 0.03 107 A H H 43.26 6.96 12.06 20.88 92.63 53.32 -66.29 -34.84 13.17 0.09 86.73 3.18 1.82 7.81 77.65 9.42 0.02 0.05 0.04 108 L H H 87.87 7.04 11.48 19.90 93.95 55.09 -74.08 -22.10 30.42 0.26 69.33 5.51 4.51 20.71 61.73 7.19 0.08 0.11 0.17 109 T C H 102.44 1.88 12.64 15.10 96.81 56.38 -84.80 -8.89 57.68 0.56 41.77 15.36 10.19 33.88 35.00 4.90 0.04 0.20 0.44 110 N C C 104.20 3.25 9.79 15.01 112.88 90.00 -90.98 122.35 99.77 0.13 0.10 89.67 9.68 0.43 0.06 0.02 0.00 0.05 0.09 111 P C C 100.33 3.37 12.14 17.36 110.31 -117.34 -65.94 142.20 99.98 0.01 0.01 99.90 0.07 0.03 0.00 0.00 0.00 0.00 0.00