# 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 102.52 7.34 12.78 21.27 115.28 -164.27 -92.98 129.83 99.86 0.13 0.01 99.77 0.10 0.04 0.00 0.00 0.00 0.06 0.02 1 E C C 127.20 4.22 11.22 17.38 115.89 -152.32 -95.03 129.55 94.03 5.43 0.54 92.22 1.47 0.81 0.24 0.18 0.00 2.27 2.81 2 V C C 80.25 6.39 9.21 17.41 118.15 -148.86 -102.05 133.78 96.12 3.28 0.60 80.02 14.31 1.71 0.23 0.37 0.00 1.63 1.74 3 P C T 102.84 2.94 11.87 16.51 111.37 -107.20 -65.83 141.67 95.24 1.57 3.18 30.33 14.46 50.62 0.61 2.50 0.00 0.90 0.58 4 G C T 54.61 2.76 12.37 16.28 104.58 20.16 87.58 -8.42 94.91 1.03 4.06 21.99 19.93 53.02 0.76 3.26 0.00 0.54 0.49 5 S C C 59.95 7.22 10.36 18.80 112.92 108.10 -90.43 134.49 89.37 2.67 7.96 54.50 24.71 9.76 1.89 6.13 0.00 1.10 1.91 6 S C C 78.09 4.76 11.85 18.04 98.72 -153.26 -80.55 -9.73 84.98 2.79 12.23 47.36 24.66 13.19 2.93 9.03 0.00 1.37 1.44 7 K C C 129.38 4.72 13.20 19.42 102.52 79.17 -85.05 3.29 83.75 3.23 13.02 54.21 19.50 10.29 3.26 9.59 0.00 1.86 1.28 8 K C C 122.80 6.41 14.45 22.14 111.92 63.28 -84.98 128.99 85.20 5.71 9.09 70.95 9.80 4.67 2.87 6.03 0.00 3.92 1.75 9 M C C 69.07 13.49 13.66 27.30 115.95 -137.51 -94.58 127.03 82.60 13.32 4.08 72.23 7.61 2.53 1.85 2.14 0.00 10.24 3.39 10 I C C 82.93 9.59 20.32 30.15 118.79 -159.62 -102.64 133.05 70.41 28.06 1.53 63.42 4.55 0.77 1.18 0.55 0.00 16.40 13.12 11 A C C 12.34 21.52 12.49 33.56 116.13 -122.66 -85.02 139.16 92.11 7.19 0.70 87.03 5.14 0.47 0.52 0.20 0.00 4.76 1.88 12 T C C 56.27 4.92 22.58 27.29 125.66 -142.39 -91.96 167.23 96.68 2.46 0.86 93.80 2.90 0.34 0.78 0.12 0.00 1.03 1.04 13 Q H H 99.46 10.35 14.48 25.53 91.06 -102.03 -59.19 -37.78 2.79 0.02 97.19 0.70 0.66 1.30 96.96 0.37 0.00 0.01 0.01 14 E H H 132.84 1.19 19.48 18.85 91.58 52.72 -64.08 -41.19 1.86 0.02 98.13 0.42 0.25 1.06 97.77 0.47 0.00 0.01 0.00 15 E H H 60.84 8.87 16.44 26.76 92.10 48.42 -65.85 -40.41 1.02 0.02 98.96 0.30 0.12 0.54 98.47 0.56 0.00 0.01 0.00 16 M H H 12.62 19.93 11.13 31.05 91.50 50.18 -63.96 -42.36 1.02 0.01 98.96 0.29 0.11 0.54 98.55 0.50 0.00 0.01 0.00 17 S H H 66.01 3.95 17.30 22.12 92.17 49.54 -64.47 -40.34 2.92 0.02 97.06 0.36 0.19 2.17 96.54 0.72 0.00 0.01 0.01 18 A H H 79.81 1.70 17.52 18.74 91.15 52.14 -66.16 -32.25 10.25 0.02 89.73 0.41 0.46 9.40 88.89 0.80 0.01 0.01 0.01 19 A C T 34.99 12.60 12.60 25.94 94.28 53.15 -85.00 -2.93 81.51 0.05 18.44 1.02 2.64 76.82 18.43 1.01 0.00 0.02 0.06 20 K C T 162.80 1.52 19.91 20.89 93.93 -124.57 59.14 40.40 98.90 0.02 1.08 4.18 1.52 93.49 0.61 0.16 0.00 0.01 0.01 21 I C C 24.33 20.35 8.54 27.75 118.33 166.39 -86.42 139.23 99.42 0.46 0.12 90.23 8.96 0.16 0.07 0.03 0.00 0.12 0.44 22 A C C 58.98 3.40 20.04 23.17 113.14 -104.30 -65.73 145.01 99.36 0.44 0.20 99.00 0.39 0.11 0.06 0.04 0.00 0.10 0.30 23 L H G 99.39 9.52 12.97 23.58 91.92 -115.16 -57.70 -35.83 13.61 0.11 86.28 1.70 1.56 9.68 5.01 81.95 0.00 0.07 0.02 24 G H G 49.99 2.82 17.85 21.20 90.65 61.37 -66.82 -22.13 13.07 0.06 86.87 0.71 0.97 10.88 4.82 82.57 0.00 0.04 0.01 25 S H G 32.72 13.19 15.03 28.97 96.01 54.93 -93.73 -4.32 13.65 0.18 86.17 2.65 1.97 8.42 5.44 81.37 0.00 0.11 0.04 26 R C C 56.20 19.24 14.25 32.10 97.60 92.47 -65.21 -37.87 58.38 3.51 38.11 37.54 11.22 10.45 23.57 13.05 0.04 1.10 3.02 27 D H H 72.40 9.21 20.57 29.67 96.07 51.62 -69.11 -32.26 44.32 0.74 54.94 11.26 7.74 23.99 28.46 27.57 0.11 0.34 0.53 28 M H H 100.25 6.56 22.64 29.29 96.22 45.71 -76.23 -25.68 42.48 0.52 57.00 4.06 5.82 30.03 31.24 28.06 0.15 0.27 0.38 29 C H H 18.29 18.32 18.68 36.61 99.63 43.09 -95.76 -17.86 37.20 0.68 62.12 8.34 4.59 22.59 36.77 26.82 0.09 0.34 0.46 30 A H H 12.92 20.34 18.17 38.19 92.09 85.78 -62.20 -38.89 6.80 0.08 93.13 1.33 0.80 4.21 76.66 16.91 0.02 0.04 0.03 31 H H H 97.86 8.65 23.94 32.84 91.70 54.85 -65.61 -34.37 4.47 0.03 95.50 0.33 0.27 3.48 77.45 18.43 0.01 0.02 0.01 32 L H H 50.84 13.30 22.89 35.86 94.14 49.47 -72.88 -35.41 6.35 0.03 93.63 0.33 0.34 5.11 74.65 19.52 0.02 0.02 0.01 33 L H H 14.99 20.87 20.26 40.46 93.90 51.11 -70.63 -37.05 5.60 0.02 94.38 0.37 0.54 4.62 89.67 4.76 0.02 0.01 0.01 34 I H H 35.74 13.53 22.20 36.02 91.99 55.05 -62.99 -43.77 1.71 0.00 98.28 0.29 0.16 1.09 96.81 1.65 0.00 0.00 0.00 35 P H H 45.16 7.92 23.44 32.22 91.51 50.12 -63.89 -40.16 1.18 0.00 98.81 0.23 0.07 0.74 97.61 1.35 0.00 0.00 0.00 36 L H H 19.63 17.90 19.39 37.33 92.06 50.54 -64.39 -41.88 0.49 0.00 99.51 0.08 0.04 0.30 98.63 0.96 0.00 0.00 0.00 37 N H H 43.66 12.31 20.74 33.42 91.84 50.92 -64.03 -41.14 0.81 0.00 99.19 0.14 0.07 0.48 98.95 0.36 0.00 0.00 0.00 38 K H H 100.03 3.80 22.90 26.36 91.82 49.43 -64.69 -41.16 1.49 0.00 98.51 0.18 0.11 1.07 98.18 0.46 0.00 0.00 0.00 39 C H H 19.57 10.96 16.15 29.23 91.67 50.38 -64.10 -41.44 2.04 0.01 97.95 0.35 0.20 1.37 97.29 0.78 0.00 0.00 0.00 40 R H H 72.61 12.69 14.33 27.49 92.18 51.54 -64.75 -39.04 3.50 0.02 96.47 0.52 0.34 2.55 95.49 1.07 0.01 0.01 0.01 41 Q H H 118.73 2.66 16.36 19.44 93.18 47.73 -69.03 -36.47 7.70 0.03 92.27 0.60 0.67 6.37 91.22 1.09 0.03 0.01 0.02 42 A H H 75.58 1.94 15.15 17.01 96.40 41.36 -80.14 -27.36 24.19 0.07 75.74 1.26 2.74 19.97 74.69 1.20 0.06 0.02 0.06 43 E C H 84.75 6.89 10.84 19.26 110.46 27.11 -121.27 71.66 64.04 0.67 35.29 15.02 15.67 32.99 33.46 2.11 0.05 0.19 0.52 44 F C T 141.52 4.03 11.06 17.06 97.56 -161.44 -62.98 -18.02 92.76 0.43 6.81 22.80 15.73 54.57 2.73 3.67 0.00 0.21 0.29 45 Y C T 162.31 2.60 12.36 15.84 99.04 55.09 -84.31 -9.29 93.46 0.54 6.01 21.08 23.78 48.89 1.50 4.12 0.00 0.24 0.39 46 L C C 78.43 5.62 11.18 18.66 109.97 69.47 -107.08 98.67 94.14 0.68 5.18 63.73 26.82 3.57 1.89 3.03 0.00 0.22 0.75 47 P C G 78.23 6.82 11.57 20.18 94.89 -162.25 -63.51 -28.02 51.15 0.34 48.51 10.22 7.82 32.12 6.89 42.55 0.00 0.17 0.22 48 W H G 169.65 3.20 14.99 18.96 94.28 58.35 -72.06 -17.81 42.24 0.41 57.35 7.15 6.09 28.18 9.06 49.08 0.01 0.22 0.21 49 K H G 98.90 6.34 15.94 23.39 94.95 67.76 -72.58 -22.89 42.54 0.69 56.77 14.32 8.14 19.80 10.94 46.10 0.00 0.35 0.35 50 C C C 17.55 17.53 10.56 27.94 99.33 51.36 -94.97 7.39 61.33 0.76 37.91 32.95 8.38 19.84 13.98 23.93 0.00 0.33 0.58 51 E H H 100.38 5.33 16.68 23.39 93.29 107.72 -61.00 -42.35 11.35 0.06 88.59 7.02 2.29 2.62 86.30 1.72 0.00 0.02 0.03 52 D H H 100.00 1.67 19.37 19.84 92.49 49.40 -65.20 -39.56 3.95 0.02 96.03 1.16 0.54 2.17 94.60 1.51 0.00 0.01 0.01 53 E H H 58.53 11.01 16.39 28.29 92.33 49.80 -66.02 -40.37 2.33 0.02 97.65 0.74 0.24 1.26 96.33 1.42 0.00 0.01 0.01 54 R H H 72.38 13.24 15.91 29.42 91.66 51.53 -63.54 -41.46 1.04 0.01 98.96 0.33 0.10 0.49 98.64 0.43 0.00 0.00 0.00 55 H H H 101.04 2.72 20.94 22.92 91.77 49.89 -63.95 -41.73 0.74 0.00 99.26 0.20 0.06 0.37 99.20 0.17 0.00 0.00 0.00 56 V H H 67.23 4.40 20.41 25.04 91.87 50.04 -64.26 -42.39 0.43 0.00 99.57 0.08 0.03 0.25 99.53 0.12 0.00 0.00 0.00 57 Y H H 44.36 14.41 16.63 31.63 91.95 49.71 -64.01 -42.07 0.28 0.00 99.72 0.04 0.02 0.16 99.71 0.08 0.00 0.00 0.00 58 E H H 81.04 7.19 19.65 27.67 91.58 50.74 -63.27 -41.35 0.43 0.00 99.57 0.04 0.02 0.28 99.59 0.07 0.00 0.00 0.00 59 K H H 117.55 2.12 22.11 22.84 91.76 49.87 -64.45 -41.55 0.82 0.00 99.18 0.07 0.04 0.58 99.23 0.08 0.00 0.00 0.00 60 C H H 34.15 8.48 18.06 28.19 91.91 50.12 -64.63 -42.06 0.68 0.00 99.32 0.09 0.04 0.41 99.35 0.10 0.00 0.00 0.00 61 E H H 65.47 11.04 18.19 29.80 91.91 51.38 -64.02 -41.55 0.40 0.00 99.60 0.04 0.01 0.26 99.61 0.07 0.00 0.00 0.00 62 Y H H 110.45 4.57 19.72 24.55 91.88 49.64 -64.24 -41.61 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.05 0.00 0.00 0.00 63 E H H 97.90 2.89 20.67 22.94 91.75 49.56 -64.64 -41.55 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 64 L H H 47.36 8.74 16.94 27.27 91.90 50.15 -64.49 -41.96 0.24 0.00 99.76 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 65 V H H 50.27 8.71 16.99 27.01 92.06 49.81 -63.78 -42.01 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 66 M H H 96.24 2.99 19.09 21.83 91.60 49.91 -64.02 -41.18 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 67 E H H 101.85 3.20 19.13 22.22 91.85 49.68 -65.31 -40.91 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 68 R H H 94.01 8.01 16.79 25.78 92.04 49.53 -65.02 -41.04 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 69 M H H 77.36 5.77 17.24 23.93 91.95 50.28 -64.21 -41.40 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 70 L H H 84.90 2.19 18.91 20.33 91.43 50.00 -63.78 -42.03 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 71 A H H 46.29 4.10 17.26 22.37 91.53 50.13 -64.24 -40.81 0.17 0.00 99.83 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 72 M H H 64.87 7.27 15.27 24.00 91.85 50.66 -64.30 -40.65 0.18 0.00 99.82 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 73 K H H 113.68 2.45 17.89 20.13 91.69 50.95 -64.07 -40.90 0.17 0.00 99.83 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 74 K H H 114.47 1.84 17.90 18.87 91.82 50.15 -64.81 -40.92 0.26 0.00 99.74 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 75 I H H 70.81 4.92 15.55 21.81 92.13 49.99 -64.16 -41.81 0.27 0.00 99.73 0.04 0.01 0.15 99.75 0.04 0.00 0.00 0.00 76 R H H 120.26 3.82 16.09 20.61 91.94 50.35 -63.60 -41.22 0.36 0.00 99.63 0.07 0.02 0.20 99.66 0.05 0.00 0.00 0.00 77 E H H 109.50 1.75 16.89 17.92 91.91 49.84 -64.50 -41.47 0.57 0.00 99.42 0.08 0.04 0.34 99.45 0.08 0.00 0.00 0.00 78 E H H 104.53 2.21 16.64 18.64 92.08 49.25 -65.09 -40.70 0.82 0.00 99.18 0.12 0.05 0.49 99.23 0.11 0.00 0.00 0.00 79 E H H 95.74 3.56 15.48 19.81 92.08 49.81 -65.06 -39.93 1.13 0.00 98.86 0.19 0.08 0.63 98.92 0.17 0.00 0.00 0.00 80 A H H 50.68 2.83 14.89 18.56 91.65 51.29 -63.95 -40.59 1.65 0.00 98.34 0.34 0.12 0.92 98.32 0.30 0.00 0.00 0.00 81 L H H 92.78 1.96 15.65 17.36 92.24 50.31 -64.99 -40.85 2.06 0.01 97.94 0.47 0.18 1.13 97.72 0.48 0.00 0.00 0.00 82 A H H 54.65 2.92 14.08 17.92 91.95 50.85 -64.64 -40.41 2.91 0.02 97.07 0.76 0.30 1.58 96.61 0.74 0.00 0.01 0.00 83 K H H 118.52 2.39 13.91 16.80 92.73 50.70 -66.50 -38.46 5.42 0.04 94.54 1.52 0.63 3.06 93.39 1.35 0.01 0.02 0.01 84 Q H H 109.48 2.06 13.14 15.63 93.15 51.84 -67.13 -38.36 8.61 0.07 91.32 2.34 1.19 5.06 88.82 2.51 0.01 0.03 0.03 85 N H H 102.23 1.96 12.33 14.80 94.10 52.15 -68.67 -34.52 15.57 0.13 84.29 3.85 2.09 9.74 80.17 4.00 0.03 0.07 0.06 86 K H H 137.50 1.96 11.34 14.10 96.19 53.92 -72.66 -27.19 26.71 0.32 72.97 8.50 3.76 15.20 67.16 5.03 0.04 0.15 0.16 87 L H H 107.47 3.12 9.79 14.32 99.09 59.84 -77.24 -21.90 40.16 0.91 58.93 17.90 7.25 17.35 51.76 4.80 0.05 0.40 0.49 88 Q C T 137.31 1.65 9.85 12.58 103.65 58.29 -80.55 16.80 63.69 0.88 35.43 20.22 11.03 32.94 30.46 4.43 0.04 0.35 0.54 89 G C T 58.75 1.60 10.45 12.90 105.25 6.89 73.54 -3.54 83.05 0.56 16.39 25.93 17.73 40.09 10.14 5.48 0.00 0.23 0.41 90 N C C 124.75 1.80 9.61 12.61 105.10 69.66 -86.33 52.29 85.89 1.07 13.04 42.87 20.52 22.92 4.55 7.93 0.00 0.46 0.74 91 A C C 78.44 3.02 8.78 13.56 110.62 122.93 -86.75 126.75 88.84 1.42 9.74 48.49 21.27 19.12 2.51 7.15 0.00 0.69 0.78 92 A C C 83.98 2.52 10.49 14.59 111.47 -126.40 -85.03 130.19 91.40 2.84 5.76 60.86 18.27 12.09 1.35 4.63 0.00 1.67 1.12 93 V C C 92.13 5.53 8.59 15.93 116.36 -131.70 -97.78 128.25 93.16 6.14 0.70 66.33 26.36 1.09 0.32 0.37 0.00 3.47 2.06 94 P C C 93.70 3.38 11.11 16.19 112.91 -113.07 -68.81 144.25 91.80 7.09 1.10 83.39 6.13 2.19 0.40 0.66 0.00 4.80 2.43 95 L C C 126.68 2.93 9.79 14.51 109.22 -136.54 -88.55 114.02 90.46 7.72 1.82 61.66 25.89 2.97 0.78 0.98 0.00 3.57 4.15 96 I C C 108.39 4.59 8.28 14.75 116.67 -138.47 -94.93 134.51 92.17 4.92 2.91 59.91 31.01 1.70 2.06 0.86 0.00 2.38 2.08 97 P C C 88.01 3.35 9.90 15.11 114.15 -107.83 -67.00 149.53 89.29 1.92 8.79 78.68 6.40 4.76 4.51 3.69 0.00 1.08 0.89 98 K C C 157.05 2.05 9.56 13.18 104.54 -115.79 -75.54 76.69 71.17 2.04 26.79 41.66 13.84 16.07 10.99 15.30 0.01 0.97 1.16 99 T C C 98.39 2.64 8.82 13.00 107.36 -111.41 -85.38 84.17 67.24 2.96 29.80 36.61 12.65 18.91 11.66 17.14 0.03 1.51 1.49 100 A C C 79.92 3.27 7.31 12.32 103.99 -117.94 -79.77 18.97 67.87 2.57 29.55 33.76 14.15 21.13 10.86 17.42 0.02 1.27 1.39 101 N C C 127.13 1.58 8.60 11.51 105.55 65.74 -88.55 61.48 82.78 1.21 16.00 60.82 3.32 20.63 6.88 6.98 0.00 0.67 0.71 102 A C C 76.59 4.09 9.30 15.16 107.61 -159.84 -83.58 108.89 99.87 0.06 0.07 99.63 0.16 0.13 0.03 0.01 0.00 0.03 0.01