# 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 92.91 7.30 10.31 19.05 117.20 -143.34 -88.77 148.40 99.85 0.09 0.06 99.65 0.18 0.07 0.03 0.01 0.00 0.03 0.03 1 E C C 105.07 3.22 11.89 16.36 113.74 -112.54 -74.41 151.69 87.83 0.60 11.57 86.24 0.83 1.87 9.41 1.02 0.00 0.17 0.47 2 A H H 69.58 4.28 10.38 16.47 93.67 -112.66 -61.07 -35.20 17.79 0.18 82.04 2.49 1.94 11.43 49.93 34.02 0.03 0.09 0.08 3 Y H H 118.53 6.77 9.65 17.80 92.86 57.18 -68.21 -28.26 12.96 0.13 86.91 1.56 1.19 8.61 51.40 37.11 0.02 0.08 0.04 4 E H H 125.13 2.70 12.51 16.37 92.86 61.23 -71.24 -22.09 12.56 0.18 87.27 1.99 1.46 7.69 52.27 36.41 0.02 0.11 0.05 5 Q H H 118.61 2.69 12.32 15.99 97.92 53.52 -89.08 -7.59 37.38 1.56 61.06 8.32 6.63 21.83 40.26 20.95 0.33 0.83 0.85 6 V C C 69.36 9.40 8.16 18.44 111.74 95.55 -85.06 125.04 75.25 7.75 17.00 54.26 13.95 6.19 14.71 2.90 0.03 3.14 4.81 7 Q C C 124.07 3.22 11.28 16.11 112.44 -150.57 -93.76 130.14 84.81 6.48 8.70 71.23 6.41 6.12 7.59 1.93 0.00 3.72 2.98 8 K C C 152.14 2.60 10.27 14.48 112.03 -137.61 -93.75 121.26 85.70 7.55 6.74 44.41 30.36 11.49 4.12 2.57 0.02 3.93 3.11 9 G C S 42.41 4.15 11.26 16.77 127.27 57.68 -146.43 178.21 90.90 4.56 4.54 30.88 50.22 10.40 1.44 2.66 0.00 2.54 1.85 10 P C C 107.02 2.68 12.63 15.99 102.35 -54.71 -72.24 14.06 83.68 3.56 12.75 32.78 30.62 21.32 3.89 8.06 0.01 1.90 1.42 11 L C C 92.79 8.07 9.37 18.41 111.01 78.24 -86.69 118.19 74.63 9.97 15.41 43.25 17.29 14.17 5.93 9.43 0.03 6.34 3.57 12 K C C 127.85 4.33 13.52 19.36 117.41 -155.60 -95.86 134.46 66.28 15.76 17.96 43.86 13.76 8.51 9.62 8.36 0.06 10.55 5.28 13 L C C 90.49 8.55 10.80 20.36 110.16 -119.11 -76.80 135.51 64.31 16.30 19.39 42.02 12.04 10.01 9.78 9.53 0.08 10.29 6.26 14 K C T 123.55 5.26 12.39 18.96 109.31 -125.03 -77.79 126.57 72.40 8.55 19.05 25.09 13.74 34.35 9.14 9.14 0.11 5.52 2.91 15 G C T 45.95 4.21 13.00 18.34 106.75 18.28 77.63 -3.27 78.48 6.54 14.97 25.90 18.25 35.60 6.47 7.40 0.05 4.36 1.98 16 V C C 82.86 6.26 10.31 17.95 103.96 93.23 -83.63 6.29 75.07 9.77 15.16 48.41 17.24 9.08 9.84 5.51 0.03 5.56 4.33 17 A C C 71.85 3.49 11.29 16.16 100.67 63.23 -72.99 -30.69 66.64 4.73 28.63 30.06 16.31 21.39 15.86 11.58 0.06 2.90 1.84 18 E C T 135.31 2.50 11.42 14.98 98.97 35.87 -77.54 -18.16 66.14 2.83 31.02 24.17 14.92 28.04 17.61 12.31 0.07 1.65 1.23 19 L C T 100.74 4.67 10.13 16.27 100.70 59.23 -80.67 -8.78 65.50 3.73 30.77 23.10 14.80 28.38 18.48 11.36 0.10 2.35 1.43 20 G C C 45.34 3.91 12.22 17.39 104.45 -59.39 66.18 2.76 67.30 8.04 24.66 34.02 15.41 18.93 16.18 7.77 0.07 5.42 2.20 21 V C C 84.77 5.53 10.00 17.08 108.17 70.05 -87.01 102.92 57.38 11.73 30.89 35.71 13.29 9.63 23.46 7.01 0.14 7.53 3.24 22 T C C 83.18 4.03 11.30 16.75 108.23 67.27 -85.95 122.11 57.39 9.87 32.73 36.91 11.36 9.75 25.59 7.05 0.07 7.10 2.19 23 K C C 130.35 3.81 10.51 15.89 105.05 59.60 -80.45 30.05 56.28 7.23 36.49 35.30 11.25 10.43 28.31 7.75 0.04 5.33 1.59 24 R C C 143.90 3.64 10.15 15.40 106.41 68.39 -84.97 75.51 57.94 5.22 36.84 38.24 10.11 9.96 29.53 7.13 0.03 3.66 1.34 25 K C C 131.35 3.38 10.28 15.21 102.84 63.49 -81.61 -7.55 58.46 3.18 38.36 38.91 9.56 10.24 31.56 6.71 0.01 2.02 0.99 26 K C C 128.92 3.43 10.24 15.16 102.42 62.72 -79.53 -9.86 58.02 1.88 40.10 38.18 10.04 9.95 33.98 6.12 0.01 1.02 0.70 27 K C H 129.09 3.25 10.58 15.23 101.38 58.35 -76.42 -18.48 54.91 1.31 43.79 37.04 9.31 8.76 38.11 5.59 0.01 0.65 0.53 28 K C H 125.97 3.33 10.74 15.46 101.99 56.77 -77.26 -11.63 50.67 1.00 48.33 36.36 6.99 7.52 43.11 5.12 0.00 0.49 0.40 29 K H H 120.43 3.71 11.17 16.21 100.28 62.75 -73.43 -33.11 43.21 0.80 55.98 30.32 6.03 7.17 51.42 4.35 0.00 0.38 0.31 30 D H H 88.85 3.70 11.72 16.71 97.99 58.94 -70.72 -33.91 35.48 0.58 63.93 24.54 4.86 6.51 59.82 3.78 0.00 0.28 0.22 31 K H H 124.31 2.96 12.60 16.50 95.87 58.10 -69.21 -36.02 25.30 0.46 74.24 16.59 3.99 5.51 70.50 3.02 0.00 0.22 0.16 32 D H H 82.83 3.40 13.48 17.81 94.79 54.07 -68.64 -37.99 17.56 0.36 82.08 12.08 2.58 3.88 78.66 2.50 0.00 0.19 0.11 33 K H H 108.34 4.78 13.75 19.63 93.86 53.07 -66.96 -38.94 9.11 0.24 90.65 5.50 1.45 2.78 87.89 2.18 0.00 0.14 0.06 34 A H H 53.37 4.25 13.61 19.33 93.17 53.06 -65.64 -39.80 7.29 0.25 92.46 4.18 1.05 2.51 89.86 2.18 0.01 0.16 0.05 35 K H H 114.79 2.73 15.30 18.40 93.23 51.60 -66.55 -39.53 6.36 0.28 93.35 3.53 0.98 2.38 90.63 2.22 0.01 0.19 0.06 36 L H H 80.93 4.54 14.09 19.90 93.27 51.25 -66.12 -39.79 6.00 0.32 93.68 3.16 0.90 2.39 91.09 2.16 0.01 0.22 0.06 37 L H H 79.38 5.40 13.06 20.00 93.51 51.93 -66.33 -38.57 7.65 0.38 91.97 3.86 1.13 3.16 89.10 2.37 0.01 0.27 0.08 38 E H H 117.84 2.73 13.75 17.35 93.61 53.25 -67.16 -35.27 11.88 0.41 87.71 5.21 1.73 5.40 84.64 2.62 0.03 0.26 0.12 39 A H H 71.47 2.75 12.56 16.19 95.22 53.11 -72.76 -27.98 21.13 0.46 78.40 7.50 3.05 10.86 75.65 2.47 0.04 0.25 0.18 40 M H H 108.50 4.64 10.95 16.94 101.55 58.40 -81.75 -8.63 41.46 0.69 57.86 13.49 7.54 20.66 55.34 2.28 0.05 0.28 0.35 41 G C C 47.02 3.68 12.10 17.06 106.42 -79.53 55.12 6.68 69.67 0.96 29.37 31.21 11.64 26.70 26.20 3.34 0.01 0.41 0.49 42 T C C 91.07 3.71 10.78 15.91 107.05 86.70 -88.38 43.90 72.04 1.58 26.38 42.79 14.42 14.67 21.08 5.50 0.00 0.71 0.81 43 S C C 73.88 3.83 10.10 15.51 108.39 97.99 -87.63 109.80 73.63 1.72 24.65 47.03 13.53 12.72 19.17 5.84 0.00 0.83 0.87 44 K C C 135.29 3.23 10.28 15.09 109.54 -143.80 -86.63 111.31 71.99 1.53 26.47 50.33 12.13 9.16 21.27 5.60 0.00 0.74 0.78 45 K C C 134.45 3.51 10.13 15.29 110.12 -129.31 -84.89 123.18 70.19 1.35 28.47 49.91 10.75 9.11 23.56 5.34 0.00 0.65 0.68 46 N C C 100.01 4.04 9.86 15.48 109.41 -140.82 -89.36 109.77 69.74 1.15 29.11 51.53 8.88 9.00 23.57 5.87 0.00 0.56 0.59 47 E C C 125.32 3.55 9.82 14.94 106.02 -147.69 -85.34 47.60 63.10 1.20 35.70 45.98 9.09 8.19 28.83 6.74 0.00 0.59 0.58 48 E C C 125.36 3.20 9.82 14.56 106.86 68.38 -85.25 80.34 63.31 1.22 35.48 47.34 8.08 8.02 28.85 6.52 0.00 0.61 0.58 49 E C C 124.32 3.57 9.89 15.06 108.60 63.19 -86.60 100.34 68.75 1.22 30.04 53.76 7.57 7.17 25.01 5.29 0.00 0.62 0.57 50 K C C 135.11 3.42 10.07 15.14 111.31 -138.16 -89.78 120.00 75.89 1.43 22.67 60.70 7.56 7.03 19.17 4.11 0.00 0.73 0.70 51 R C C 143.76 4.46 9.46 15.63 112.73 -147.33 -90.17 124.50 81.21 1.87 16.92 67.33 6.99 6.24 14.24 3.27 0.00 0.94 0.99 52 R C C 155.01 3.18 10.22 15.07 113.23 -154.60 -93.20 130.19 81.31 1.82 16.87 59.78 9.66 11.30 13.07 4.24 0.00 0.93 1.02 53 G C C 46.61 4.13 10.85 16.42 110.54 3.61 -63.80 -22.08 80.56 1.64 17.79 49.08 14.66 16.82 10.45 7.25 0.00 0.81 0.93 54 L C C 109.92 4.58 9.67 15.71 101.59 -18.35 -82.02 -3.88 74.15 2.07 23.78 44.89 13.85 15.28 10.28 13.47 0.00 1.02 1.20 55 D C C 101.87 3.25 10.83 15.62 104.38 76.32 -83.79 33.70 77.50 1.99 20.51 41.42 18.21 18.26 8.14 11.93 0.01 0.95 1.09 56 K C C 147.07 2.42 11.98 15.57 102.01 70.88 -88.06 11.64 83.01 2.44 14.55 48.97 20.14 14.17 5.73 8.45 0.00 1.21 1.33 57 R C C 105.44 8.59 8.46 18.28 117.66 116.19 -88.59 143.34 93.98 3.72 2.30 73.01 18.94 1.31 1.67 0.66 0.00 1.19 3.23 58 T C C 63.27 4.19 12.41 18.26 116.89 -110.95 -71.84 155.68 98.46 0.68 0.86 95.93 2.32 0.18 0.87 0.07 0.00 0.22 0.41 59 P H H 104.81 1.98 13.40 16.09 91.99 -107.44 -58.15 -38.05 2.29 0.01 97.70 0.65 0.28 1.17 97.43 0.46 0.00 0.00 0.00 60 A H H 60.68 3.29 13.87 18.01 92.54 52.53 -65.40 -39.90 1.24 0.00 98.75 0.24 0.10 0.74 98.38 0.53 0.00 0.00 0.00 61 Q H H 74.49 5.37 14.01 21.04 92.50 49.65 -65.68 -39.95 0.56 0.00 99.44 0.14 0.05 0.29 99.07 0.45 0.00 0.00 0.00 62 A H H 43.82 4.27 14.62 20.40 91.90 51.29 -63.51 -42.15 0.26 0.00 99.74 0.06 0.02 0.12 99.69 0.12 0.00 0.00 0.00 63 A H H 54.15 2.40 16.50 18.91 91.75 50.47 -63.62 -41.34 0.28 0.00 99.72 0.04 0.01 0.15 99.74 0.05 0.00 0.00 0.00 64 F H H 100.54 3.47 15.74 20.07 92.28 49.94 -64.86 -41.03 0.22 0.00 99.78 0.03 0.01 0.13 99.80 0.04 0.00 0.00 0.00 65 E H H 91.99 4.45 15.82 21.27 91.96 50.75 -64.12 -41.00 0.12 0.00 99.88 0.01 0.01 0.06 99.90 0.02 0.00 0.00 0.00 66 K H H 115.34 2.18 17.00 18.94 92.12 50.46 -64.38 -41.15 0.14 0.00 99.86 0.02 0.01 0.08 99.89 0.01 0.00 0.00 0.00 67 M H H 93.63 2.30 16.65 18.83 91.96 50.10 -64.46 -41.30 0.15 0.00 99.85 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 68 Q H H 82.40 3.89 15.49 20.46 92.01 50.51 -64.67 -41.04 0.18 0.00 99.82 0.02 0.01 0.09 99.85 0.02 0.00 0.00 0.00 69 E H H 93.52 3.45 15.86 20.10 91.70 50.59 -64.25 -40.84 0.25 0.00 99.75 0.03 0.01 0.14 99.79 0.02 0.00 0.00 0.00 70 K H H 117.54 1.84 17.04 18.20 91.89 50.44 -64.72 -40.88 0.24 0.00 99.76 0.03 0.01 0.14 99.79 0.03 0.00 0.00 0.00 71 R H H 121.66 2.42 16.60 19.00 92.04 49.64 -65.19 -40.78 0.26 0.00 99.74 0.03 0.01 0.15 99.77 0.03 0.00 0.00 0.00 72 Q H H 83.17 4.64 15.68 21.44 92.03 50.72 -64.13 -40.75 0.23 0.00 99.77 0.03 0.01 0.14 99.80 0.03 0.00 0.00 0.00 73 M H H 89.35 3.76 15.95 20.65 91.99 50.93 -64.21 -40.74 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 74 E H H 102.84 2.07 17.24 18.76 91.88 50.62 -64.82 -40.90 0.23 0.00 99.77 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 75 R H H 117.25 3.02 16.59 19.93 92.16 49.77 -65.12 -41.55 0.36 0.00 99.64 0.03 0.02 0.24 99.64 0.07 0.00 0.00 0.00 76 I H H 69.91 5.74 14.31 21.60 92.20 49.93 -64.75 -41.66 0.46 0.00 99.54 0.06 0.03 0.29 99.46 0.17 0.00 0.00 0.00 77 L H H 86.88 3.62 15.17 19.81 92.02 51.06 -64.09 -40.33 0.88 0.00 99.12 0.10 0.05 0.58 98.84 0.42 0.00 0.00 0.00 78 K H H 134.10 1.56 16.90 17.69 92.48 50.24 -65.78 -38.68 3.22 0.01 96.78 0.28 0.19 2.51 96.12 0.90 0.00 0.00 0.00 79 K H H 109.45 4.34 14.81 20.06 92.94 49.98 -69.71 -32.92 8.01 0.02 91.96 0.80 0.66 6.17 90.94 1.39 0.01 0.01 0.01 80 A H H 49.04 8.43 10.88 20.72 94.04 62.25 -71.98 -20.44 28.29 0.30 71.40 6.93 3.85 17.57 68.61 2.71 0.04 0.12 0.17 81 S C H 84.74 1.85 14.69 16.73 95.18 64.66 -83.12 -6.77 58.89 0.94 40.17 19.41 8.17 31.70 35.78 4.00 0.03 0.40 0.50 82 K C S 98.75 5.48 10.72 18.21 120.50 93.01 -91.32 152.36 75.84 1.70 22.46 27.54 32.99 14.47 20.55 2.84 0.03 0.63 0.95 83 T C C 73.74 2.55 14.55 17.45 119.12 -107.09 -74.93 160.32 80.78 2.80 16.42 64.14 10.21 4.87 16.28 1.85 0.00 1.07 1.58 84 H H H 118.21 5.49 11.00 18.25 92.31 -109.73 -59.04 -39.02 10.92 0.15 88.93 6.28 2.53 2.91 87.01 1.15 0.00 0.06 0.07 85 K H H 140.45 1.44 14.26 15.60 91.83 53.50 -64.25 -39.88 4.55 0.05 95.40 1.33 0.67 2.55 93.95 1.46 0.01 0.03 0.01 86 Q H H 94.63 2.46 14.90 17.70 91.95 49.30 -65.95 -39.88 3.57 0.05 96.38 1.24 0.49 1.93 94.65 1.65 0.01 0.03 0.02 87 R H H 91.32 6.92 13.60 22.07 92.05 51.19 -64.38 -41.59 1.91 0.03 98.06 0.79 0.27 0.86 97.26 0.80 0.00 0.01 0.01 88 V H H 65.80 4.95 15.15 21.52 91.83 49.56 -64.20 -41.64 1.10 0.01 98.88 0.38 0.12 0.54 98.47 0.49 0.00 0.01 0.00 89 E H H 99.39 2.16 17.06 18.79 91.76 50.37 -64.00 -41.15 1.15 0.01 98.84 0.28 0.11 0.65 98.44 0.50 0.00 0.00 0.00 90 D H H 67.76 3.62 16.26 20.75 91.99 49.97 -64.76 -40.89 2.07 0.01 97.92 0.39 0.19 1.35 97.34 0.73 0.01 0.00 0.00 91 F H H 76.40 7.70 13.79 23.11 92.06 51.19 -64.52 -40.75 2.64 0.01 97.35 0.46 0.24 1.74 96.30 1.24 0.00 0.01 0.00 92 N H H 83.29 4.28 15.05 20.52 92.08 51.14 -66.26 -35.55 3.81 0.01 96.18 0.49 0.28 2.81 94.07 2.33 0.01 0.01 0.00 93 R H H 149.97 1.47 16.24 16.81 92.93 52.23 -68.65 -34.63 7.85 0.02 92.12 0.51 0.52 6.55 86.98 5.38 0.02 0.01 0.01 94 H H H 94.20 4.73 13.90 19.97 96.89 47.92 -81.11 -25.96 13.42 0.06 86.52 1.28 1.01 10.62 79.01 7.98 0.03 0.03 0.03 95 L H H 64.35 10.85 10.59 22.29 92.45 71.96 -63.92 -35.04 12.54 0.12 87.33 1.85 1.18 8.07 57.25 31.50 0.03 0.07 0.05 96 D H H 107.74 2.43 14.33 17.57 91.77 60.88 -69.84 -19.09 34.46 0.09 65.45 1.13 1.59 30.47 37.33 29.30 0.04 0.04 0.09 97 T C T 104.12 1.43 14.70 15.80 96.47 50.38 -96.76 -2.67 51.94 0.16 47.89 2.20 3.29 45.12 21.15 27.95 0.03 0.08 0.18 98 L C C 56.12 11.60 7.17 19.37 118.81 105.03 -79.66 144.30 96.58 1.63 1.79 57.14 37.92 1.24 1.19 0.45 0.00 0.38 1.67 99 T C C 69.68 2.91 14.28 17.95 123.80 -141.13 -96.13 164.31 96.12 2.72 1.16 91.70 3.27 0.69 0.58 0.38 0.00 0.72 2.65 100 E H G 130.51 4.59 11.19 17.65 91.85 -104.75 -61.26 -31.99 36.93 0.62 62.46 4.58 6.58 25.62 5.62 56.93 0.01 0.34 0.31 101 H H G 136.31 2.72 12.74 16.56 92.85 60.29 -70.32 -22.82 37.80 0.37 61.83 3.12 4.72 29.06 5.85 56.86 0.00 0.21 0.17 102 Y H G 133.61 4.93 12.28 18.61 99.20 47.67 -92.82 -3.10 36.82 1.40 61.78 8.32 7.82 22.09 6.42 53.95 0.02 0.82 0.56 103 D C C 75.67 7.16 11.58 20.16 105.26 79.40 -88.36 61.47 76.31 4.58 19.12 47.21 19.21 9.73 6.80 11.63 0.01 1.85 3.55 104 I C C 83.11 8.24 10.06 19.71 116.49 117.87 -91.72 133.11 90.70 4.13 5.17 60.50 26.46 3.57 3.07 2.04 0.00 1.89 2.47 105 P C C 84.33 4.45 12.00 18.06 111.07 -113.61 -68.54 146.97 88.76 3.07 8.18 67.59 12.00 9.44 3.55 4.30 0.00 1.98 1.15 106 K C C 146.88 2.98 10.96 15.76 114.70 -123.10 -89.53 134.00 76.30 13.80 9.90 54.64 12.15 8.80 4.83 5.12 0.02 8.23 6.21 107 V C C 100.30 4.74 8.44 15.10 116.55 -155.67 -102.34 129.56 73.84 16.73 9.43 53.57 12.33 7.14 4.95 4.79 0.02 11.28 5.91 108 S C C 74.89 3.12 9.11 13.97 122.21 -158.06 -115.69 148.22 77.56 12.81 9.63 53.09 14.79 9.71 3.92 5.70 0.01 9.46 3.32 109 W C C 193.03 2.55 7.92 12.15 104.43 -134.42 -84.89 21.27 82.63 7.97 9.40 38.65 23.06 22.32 2.85 5.80 0.03 5.25 2.04 110 T C C 101.43 2.38 7.45 11.55 109.94 92.12 -90.69 116.68 89.87 4.83 5.31 72.70 3.82 13.86 1.90 2.69 0.00 3.31 1.73 111 K C C 155.84 2.18 9.83 13.62 108.54 -142.12 -87.67 109.44 99.79 0.17 0.04 99.58 0.18 0.10 0.02 0.01 0.00 0.09 0.02