# 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 P C C 79.91 6.22 13.95 21.54 112.30 -114.11 -70.89 146.10 99.97 0.01 0.02 99.92 0.04 0.03 0.01 0.00 0.00 0.00 0.00 1 R C C 153.59 4.56 11.45 17.76 111.83 -131.94 -86.52 131.21 88.43 3.23 8.34 83.99 1.72 2.99 6.67 1.24 0.00 1.32 2.06 2 A C C 60.79 7.45 9.22 17.97 113.36 -130.82 -85.02 132.58 81.11 2.64 16.25 66.27 8.62 5.67 13.89 3.01 0.00 1.39 1.17 3 K C C 144.47 2.79 13.43 17.43 103.79 -148.44 -83.00 2.75 73.47 1.72 24.81 50.29 13.24 8.60 23.37 2.97 0.00 0.85 0.69 4 T C C 75.62 6.20 11.98 19.49 105.53 59.85 -88.01 13.08 64.18 0.95 34.87 38.33 15.08 9.46 33.79 2.50 0.01 0.37 0.45 5 G H H 31.33 7.03 12.93 21.32 104.17 47.76 -40.67 -60.47 41.57 0.42 58.01 25.31 9.60 6.11 57.00 1.64 0.00 0.14 0.19 6 V H H 85.04 3.49 14.53 18.87 94.36 8.23 -66.41 -39.32 11.80 0.18 88.01 6.16 2.35 3.69 86.28 1.36 0.01 0.08 0.07 7 V H H 72.41 4.31 15.65 20.96 93.49 51.20 -66.00 -41.04 6.50 0.15 93.35 3.46 1.11 2.30 91.75 1.25 0.01 0.08 0.04 8 R H H 95.94 8.49 15.22 24.69 92.73 50.57 -65.51 -40.32 4.28 0.08 95.64 2.18 0.64 1.66 94.37 1.09 0.00 0.04 0.02 9 R H H 108.99 6.87 16.41 24.29 92.47 50.98 -65.01 -40.71 3.41 0.04 96.55 1.38 0.44 1.54 95.90 0.71 0.00 0.02 0.01 10 R H H 127.14 2.70 19.36 21.60 92.10 50.33 -65.12 -41.22 2.15 0.01 97.84 0.76 0.26 0.97 97.63 0.37 0.00 0.01 0.00 11 K H H 87.63 6.63 18.36 25.85 92.16 49.93 -65.00 -41.02 1.86 0.01 98.13 0.59 0.19 0.90 98.00 0.32 0.00 0.00 0.00 12 H H H 49.85 13.97 15.79 30.12 92.20 50.95 -64.57 -40.94 1.41 0.01 98.58 0.39 0.13 0.70 98.52 0.25 0.00 0.00 0.00 13 K H H 105.86 4.86 20.08 25.28 91.96 50.92 -64.14 -40.35 1.09 0.00 98.91 0.29 0.10 0.53 98.89 0.19 0.00 0.00 0.00 14 K H H 107.53 3.02 21.29 23.67 91.95 49.92 -64.71 -41.12 1.21 0.00 98.79 0.29 0.11 0.64 98.76 0.20 0.00 0.00 0.00 15 I H H 32.17 13.51 17.00 31.40 92.15 49.62 -64.73 -42.52 0.87 0.00 99.13 0.17 0.08 0.52 98.93 0.30 0.00 0.00 0.00 16 L H H 45.69 13.48 16.46 30.41 91.97 51.02 -64.01 -40.35 0.98 0.00 99.02 0.15 0.08 0.65 98.25 0.87 0.00 0.00 0.00 17 K H H 129.41 2.18 21.56 22.87 91.83 50.95 -64.70 -39.30 3.60 0.01 96.39 0.26 0.19 2.99 94.51 2.04 0.01 0.00 0.00 18 L H H 84.35 5.53 18.50 24.68 92.49 50.20 -68.44 -33.19 9.66 0.01 90.33 0.40 0.54 8.53 88.14 2.36 0.01 0.00 0.01 19 A H H 15.96 18.13 11.33 29.29 94.62 54.36 -80.16 -10.80 34.72 0.13 65.15 4.89 3.87 25.83 59.33 5.90 0.04 0.05 0.11 20 K C T 134.03 5.15 15.77 22.92 101.41 109.62 -63.29 68.49 62.44 0.21 37.35 3.82 3.52 54.53 18.23 19.59 0.01 0.09 0.22 21 G C T 58.05 1.81 16.83 18.50 97.22 32.43 13.08 -2.66 69.59 0.19 30.22 4.72 5.55 58.70 9.74 21.02 0.00 0.09 0.18 22 Y C C 101.14 10.48 11.42 22.62 105.99 96.63 -91.65 47.94 75.69 1.52 22.79 44.88 13.81 16.81 6.27 16.56 0.00 0.69 0.99 23 W C C 140.10 7.73 12.23 21.20 114.53 93.92 -99.01 126.73 85.66 3.77 10.57 55.38 14.09 16.25 4.79 5.40 0.01 1.63 2.45 24 G C C 42.33 5.25 13.36 19.94 119.74 -146.44 -89.74 -159.92 88.96 1.89 9.15 43.59 23.21 22.52 3.10 5.70 0.00 0.87 1.01 25 L C C 109.82 4.48 11.51 17.46 106.24 -88.24 -83.51 72.19 84.77 1.75 13.48 49.53 20.63 14.60 5.95 7.40 0.00 0.73 1.16 26 R C C 159.86 3.19 11.33 16.09 103.41 92.47 -78.40 -7.39 65.80 1.14 33.05 36.20 15.26 14.37 19.70 13.22 0.01 0.45 0.79 27 S C H 76.23 3.49 11.55 16.35 102.44 70.20 -84.91 -8.89 52.37 0.55 47.07 16.41 12.52 23.33 30.08 17.02 0.03 0.23 0.40 28 K H H 135.03 3.40 12.88 17.42 101.51 63.90 -86.20 -1.55 48.80 0.84 50.36 18.65 11.47 19.21 35.01 14.72 0.05 0.36 0.52 29 S H H 47.64 5.89 13.03 20.62 107.20 81.99 -89.65 87.65 43.47 1.02 55.52 30.21 8.01 6.60 49.04 5.23 0.01 0.43 0.48 30 F H H 98.01 9.61 12.85 23.10 94.59 -124.40 -64.90 -38.12 6.54 0.06 93.39 3.17 1.20 2.24 92.23 1.11 0.00 0.02 0.02 31 R H H 150.27 1.92 17.78 19.40 92.16 53.06 -64.91 -40.77 2.84 0.02 97.14 1.04 0.37 1.33 96.39 0.85 0.00 0.01 0.01 32 K H H 102.46 3.34 18.60 22.11 92.00 49.35 -65.69 -40.58 1.76 0.01 98.23 0.61 0.19 0.85 97.65 0.69 0.00 0.01 0.00 33 A H H 16.72 13.85 13.76 28.89 91.90 51.56 -63.86 -42.01 1.14 0.00 98.85 0.38 0.11 0.53 98.67 0.31 0.00 0.00 0.00 34 R H H 108.17 7.71 18.93 27.11 91.88 50.88 -64.23 -40.77 0.75 0.00 99.24 0.22 0.06 0.35 99.25 0.13 0.00 0.00 0.00 35 E H H 106.09 2.38 21.35 22.63 92.06 50.06 -64.74 -41.23 0.34 0.00 99.66 0.07 0.02 0.16 99.67 0.06 0.00 0.00 0.00 36 T H H 55.09 7.12 19.09 27.07 92.34 49.76 -65.35 -40.94 0.26 0.00 99.74 0.05 0.01 0.14 99.74 0.06 0.00 0.00 0.00 37 L H H 44.22 13.37 16.65 30.37 92.30 50.29 -64.42 -41.85 0.26 0.00 99.74 0.04 0.01 0.15 99.73 0.07 0.00 0.00 0.00 38 F H H 108.91 4.80 20.56 25.45 92.00 49.32 -64.41 -41.38 0.47 0.00 99.53 0.06 0.03 0.29 99.55 0.08 0.00 0.00 0.00 39 A H H 56.73 3.06 20.70 23.31 92.10 49.43 -64.68 -41.49 1.02 0.00 98.98 0.12 0.06 0.66 99.05 0.11 0.00 0.00 0.00 40 A H H 33.08 8.62 17.31 27.32 92.09 50.69 -64.39 -40.86 1.21 0.00 98.79 0.16 0.08 0.75 98.85 0.16 0.00 0.00 0.00 41 G H H 26.10 8.82 17.58 27.18 92.61 50.95 -64.12 -40.67 1.63 0.00 98.37 0.20 0.10 1.06 98.38 0.24 0.00 0.00 0.00 42 N H H 89.65 2.88 20.10 22.52 92.26 50.19 -65.17 -41.24 1.29 0.00 98.71 0.19 0.09 0.79 98.68 0.24 0.00 0.00 0.00 43 Y H H 119.89 3.31 19.68 22.80 92.65 49.07 -65.44 -41.30 0.93 0.00 99.06 0.17 0.08 0.54 98.97 0.24 0.00 0.00 0.00 44 A H H 32.99 8.81 16.05 26.13 92.09 50.88 -64.57 -41.67 1.17 0.00 98.83 0.19 0.08 0.71 98.76 0.26 0.00 0.00 0.00 45 Y H H 108.54 5.30 18.14 23.81 92.22 49.48 -64.87 -41.18 1.49 0.00 98.51 0.22 0.12 0.96 98.36 0.33 0.00 0.00 0.00 46 A H H 54.15 2.69 18.60 21.05 91.74 50.38 -64.13 -41.68 2.17 0.00 97.83 0.32 0.17 1.41 97.78 0.32 0.00 0.00 0.00 47 H H H 88.79 4.17 17.57 22.32 92.26 49.39 -65.68 -40.44 4.50 0.01 95.50 0.74 0.36 2.92 95.61 0.38 0.00 0.00 0.00 48 R H H 93.51 7.95 15.73 24.40 92.18 50.85 -64.32 -41.02 1.82 0.00 98.17 0.40 0.18 0.98 98.16 0.28 0.00 0.00 0.00 49 K H H 112.43 3.15 17.66 21.10 91.97 50.89 -64.89 -41.09 1.42 0.00 98.57 0.28 0.12 0.80 98.54 0.26 0.00 0.00 0.00 50 R H H 132.87 2.07 18.32 19.69 92.11 49.15 -64.94 -40.97 1.31 0.00 98.68 0.28 0.12 0.72 98.65 0.24 0.00 0.00 0.00 51 R H H 111.40 5.16 17.06 22.93 91.99 50.00 -64.83 -41.14 1.08 0.00 98.92 0.23 0.09 0.56 98.95 0.17 0.00 0.00 0.00 52 K H H 89.27 7.79 16.54 25.04 92.01 50.65 -64.33 -40.99 0.85 0.00 99.15 0.16 0.06 0.45 99.18 0.14 0.00 0.00 0.00 53 R H H 120.69 3.23 18.62 21.99 91.80 50.18 -64.37 -41.28 0.62 0.00 99.38 0.10 0.04 0.34 99.40 0.11 0.00 0.00 0.00 54 D H H 74.35 3.21 19.40 22.37 91.74 49.69 -64.97 -41.38 0.63 0.00 99.37 0.09 0.04 0.36 99.41 0.10 0.00 0.00 0.00 55 F H H 70.66 9.29 17.43 27.61 92.40 49.83 -64.38 -41.55 0.43 0.00 99.57 0.05 0.02 0.24 99.60 0.07 0.00 0.00 0.00 56 R H H 92.66 11.13 17.85 29.10 91.75 51.48 -63.29 -41.28 0.30 0.00 99.70 0.03 0.01 0.17 99.73 0.05 0.00 0.00 0.00 57 R H H 132.02 3.44 20.91 24.36 91.67 50.17 -64.35 -41.26 0.25 0.00 99.75 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 58 L H H 72.58 5.48 21.28 27.08 91.88 49.77 -64.72 -41.64 0.14 0.00 99.86 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 59 W H H 41.53 16.61 18.60 35.23 91.97 50.27 -64.34 -42.20 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 60 I H H 47.53 13.43 20.24 33.76 91.77 50.29 -63.95 -42.06 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 61 V H H 78.45 3.54 24.57 27.47 91.81 49.77 -64.77 -42.20 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 62 R H H 82.21 10.72 23.19 33.83 92.01 49.19 -65.10 -41.85 0.14 0.00 99.86 0.01 0.01 0.11 99.86 0.03 0.00 0.00 0.00 63 I H H 8.40 23.08 19.12 42.15 91.72 49.00 -64.48 -43.01 0.17 0.00 99.83 0.01 0.00 0.12 99.84 0.03 0.00 0.00 0.00 64 N H H 60.31 10.10 23.51 33.75 91.51 50.85 -63.06 -41.64 0.25 0.00 99.75 0.02 0.01 0.15 99.78 0.03 0.00 0.00 0.00 65 A H H 43.04 3.87 24.65 28.48 91.26 50.54 -63.39 -42.03 0.19 0.00 99.81 0.01 0.01 0.12 99.81 0.05 0.00 0.00 0.00 66 A H H 11.96 13.80 19.27 34.51 91.74 50.47 -64.16 -42.08 0.23 0.00 99.77 0.01 0.01 0.15 99.75 0.08 0.00 0.00 0.00 67 C H H 10.02 17.73 14.67 33.28 91.56 50.59 -63.57 -41.93 0.42 0.00 99.58 0.04 0.02 0.27 99.43 0.23 0.00 0.00 0.00 68 R H H 159.95 2.25 19.22 21.78 91.86 50.32 -63.64 -40.52 0.87 0.00 99.13 0.06 0.03 0.66 98.50 0.74 0.00 0.00 0.00 69 Q H H 121.91 2.98 17.17 20.90 91.39 51.79 -66.18 -31.66 5.68 0.00 94.32 0.12 0.17 5.52 93.12 1.07 0.00 0.00 0.00 70 H C T 82.93 9.95 13.24 24.34 95.85 42.10 -96.52 4.15 63.11 0.01 36.88 0.31 1.01 62.38 35.23 1.06 0.00 0.00 0.01 71 G C T 62.94 0.90 19.27 18.35 94.49 -112.09 74.56 20.17 99.92 0.00 0.08 1.13 1.08 97.76 0.03 0.01 0.00 0.00 0.00 72 L C C 35.94 16.34 9.76 25.96 123.61 135.11 -106.64 144.89 99.70 0.26 0.03 96.96 2.67 0.06 0.02 0.01 0.00 0.06 0.22 73 N C C 87.66 2.71 23.38 24.82 119.99 -124.47 -84.95 157.88 99.76 0.19 0.05 99.53 0.25 0.03 0.03 0.00 0.00 0.04 0.11 74 Y H H 66.82 19.04 13.19 31.38 92.14 -114.70 -58.93 -38.62 2.19 0.00 97.81 0.41 0.32 1.15 97.78 0.34 0.00 0.00 0.00 75 S H H 68.13 3.42 21.04 24.69 91.52 56.08 -63.22 -39.71 0.81 0.00 99.19 0.08 0.05 0.54 98.89 0.43 0.00 0.00 0.00 76 T H H 61.33 6.26 21.63 28.31 91.84 49.67 -65.51 -40.87 0.22 0.00 99.78 0.02 0.01 0.13 99.49 0.34 0.00 0.00 0.00 77 F H H 6.99 23.95 16.20 40.13 91.82 49.57 -63.99 -43.66 0.18 0.00 99.82 0.02 0.01 0.11 99.73 0.13 0.00 0.00 0.00 78 I H H 39.23 15.05 20.51 35.36 91.83 49.33 -63.85 -42.64 0.21 0.00 99.79 0.02 0.01 0.14 99.80 0.04 0.00 0.00 0.00 79 H H H 102.60 2.58 24.99 26.19 91.65 50.12 -63.81 -41.88 0.19 0.00 99.81 0.01 0.01 0.12 99.82 0.04 0.00 0.00 0.00 80 G H H 8.73 13.06 19.08 33.62 91.84 51.18 -63.25 -42.53 0.28 0.00 99.72 0.02 0.01 0.19 99.71 0.06 0.00 0.00 0.00 81 L H H 7.98 22.12 14.69 36.95 91.90 50.06 -63.98 -42.18 0.33 0.00 99.67 0.02 0.02 0.23 99.56 0.16 0.00 0.00 0.00 82 K H H 126.24 4.67 19.09 25.08 91.31 50.80 -62.82 -40.76 0.64 0.00 99.36 0.03 0.02 0.49 99.02 0.43 0.00 0.00 0.00 83 K H H 142.61 2.27 18.65 21.19 90.63 52.94 -65.03 -29.93 5.98 0.00 94.01 0.09 0.14 6.00 93.17 0.60 0.00 0.00 0.00 84 A C T 33.47 13.45 13.43 27.66 93.17 51.81 -87.46 -0.35 77.14 0.01 22.85 0.19 0.66 76.74 21.78 0.61 0.00 0.00 0.01 85 G C T 57.71 1.60 21.09 21.69 94.13 -111.79 76.52 20.57 99.86 0.00 0.14 0.68 0.58 98.68 0.05 0.02 0.00 0.00 0.00 86 I C C 25.72 19.85 10.23 29.53 114.65 141.98 -97.88 122.81 97.40 2.46 0.14 96.22 1.34 0.18 0.05 0.05 0.00 1.63 0.53 87 E C C 135.95 2.43 22.96 25.16 110.38 -146.46 -93.73 114.64 93.95 5.91 0.14 91.75 2.27 0.33 0.05 0.06 0.00 4.65 0.89 88 V C C 20.34 22.39 10.25 31.55 125.44 167.68 -119.73 141.48 92.86 7.02 0.12 86.99 6.77 0.14 0.07 0.04 0.00 3.88 2.10 89 D C C 78.68 3.68 23.00 25.83 118.78 -120.32 -81.95 155.50 99.24 0.62 0.14 98.78 0.62 0.08 0.09 0.01 0.00 0.27 0.15 90 R H H 108.34 14.46 14.27 28.36 91.73 -114.59 -59.59 -37.47 1.71 0.00 98.29 0.26 0.23 0.95 98.31 0.24 0.00 0.00 0.00 91 K H H 130.95 3.31 20.41 24.34 91.74 53.95 -63.98 -40.59 0.89 0.00 99.11 0.07 0.06 0.64 98.91 0.31 0.00 0.00 0.00 92 N H H 50.94 9.52 20.48 30.73 92.07 48.85 -65.64 -41.29 0.58 0.00 99.42 0.06 0.04 0.39 99.16 0.36 0.00 0.00 0.00 93 L H H 8.65 22.60 17.46 39.87 91.51 50.14 -63.63 -42.82 0.20 0.00 99.80 0.02 0.01 0.11 99.79 0.07 0.00 0.00 0.00 94 A H H 18.31 14.70 20.29 35.60 91.50 51.12 -63.05 -41.97 0.27 0.00 99.73 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 95 D H H 69.80 4.53 25.39 29.94 91.57 50.38 -64.42 -41.20 0.53 0.00 99.47 0.03 0.02 0.38 99.49 0.08 0.00 0.00 0.00 96 L H H 19.61 15.20 20.36 36.26 91.76 50.72 -64.43 -41.73 0.51 0.00 99.49 0.03 0.03 0.37 99.39 0.18 0.00 0.00 0.00 97 A H H 8.92 20.78 16.39 37.22 91.72 52.35 -65.11 -36.58 1.47 0.00 98.53 0.09 0.06 1.23 97.94 0.67 0.00 0.00 0.00 98 V H H 73.71 9.06 19.99 29.23 94.38 47.95 -73.19 -34.85 7.64 0.00 92.35 0.08 0.16 7.87 91.06 0.81 0.00 0.00 0.00 99 R H H 143.29 3.35 19.53 23.20 100.00 34.00 -92.91 -27.29 12.12 0.01 87.87 0.19 0.89 11.09 87.34 0.46 0.01 0.00 0.01 100 E C C 73.76 9.19 15.79 26.12 113.52 19.43 -136.36 83.82 99.85 0.04 0.11 94.34 5.39 0.11 0.10 0.01 0.00 0.01 0.04 101 P H H 59.00 13.96 13.92 28.28 93.48 173.13 -61.22 -35.29 3.35 0.00 96.65 0.23 0.16 2.78 93.59 3.23 0.00 0.00 0.00 102 Q H H 120.41 2.52 22.53 24.97 91.53 56.56 -64.19 -37.92 1.39 0.00 98.61 0.05 0.05 1.25 95.83 2.81 0.00 0.00 0.00 103 V H H 26.88 12.02 19.81 33.01 91.58 51.74 -64.89 -41.97 0.34 0.00 99.66 0.03 0.02 0.24 97.71 2.00 0.00 0.00 0.00 104 F H H 7.27 24.39 17.03 41.37 91.66 50.38 -63.86 -42.48 0.29 0.00 99.71 0.03 0.01 0.19 99.11 0.65 0.00 0.00 0.00 105 A H H 34.89 9.54 22.76 32.91 91.40 51.50 -62.99 -41.77 0.19 0.00 99.81 0.02 0.01 0.13 99.74 0.11 0.00 0.00 0.00 106 E H H 93.96 3.54 25.90 28.87 91.57 50.84 -64.02 -41.92 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 107 L H H 10.62 19.67 20.57 40.30 91.51 49.94 -64.03 -43.45 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 108 V H H 14.85 20.54 19.59 39.82 91.61 50.08 -63.43 -42.74 0.06 0.00 99.94 0.01 0.00 0.03 99.94 0.02 0.00 0.00 0.00 109 E H H 108.98 3.26 25.12 27.98 91.41 50.52 -63.53 -42.08 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 110 R H H 112.83 5.09 23.85 28.98 91.79 48.79 -64.89 -41.04 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 111 A H H 5.79 20.89 14.80 36.15 91.45 50.39 -64.05 -42.09 0.28 0.00 99.72 0.03 0.01 0.18 99.70 0.08 0.00 0.00 0.00 112 K H H 95.94 9.79 18.89 29.01 91.66 51.97 -62.90 -41.19 0.76 0.00 99.24 0.07 0.04 0.53 99.10 0.25 0.00 0.00 0.00 113 A H H 77.23 1.46 20.09 19.97 92.04 50.65 -65.33 -38.48 2.78 0.00 97.22 0.18 0.14 2.21 96.78 0.70 0.00 0.00 0.00 114 A H H 52.41 8.41 14.61 24.14 92.94 51.53 -69.45 -30.73 11.02 0.01 88.97 0.68 0.57 9.05 88.85 0.85 0.00 0.00 0.01 115 Q H H 77.52 12.09 11.56 23.71 96.65 53.24 -80.19 -14.14 37.80 0.11 62.09 11.66 1.27 22.59 63.39 0.96 0.00 0.03 0.09 116 G C C 52.80 3.10 16.81 20.63 102.69 50.98 43.07 14.52 99.95 0.01 0.04 99.64 0.09 0.24 0.03 0.00 0.00 0.00 0.00