# 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 85.11 5.82 11.84 19.19 112.33 -110.48 -68.71 143.41 99.95 0.03 0.02 99.77 0.12 0.08 0.01 0.00 0.00 0.01 0.00 1 T C C 103.52 2.77 9.60 14.21 114.40 -143.56 -93.04 134.08 93.60 4.08 2.32 88.14 2.46 3.23 0.87 1.09 0.00 2.21 2.00 2 I C C 117.59 3.99 8.51 14.48 117.35 -151.76 -100.36 132.34 88.98 7.67 3.35 71.37 13.95 3.55 1.29 2.03 0.00 5.23 2.58 3 R C C 169.53 2.11 10.26 14.08 116.98 -145.41 -97.27 134.53 87.83 8.45 3.72 80.24 5.16 2.57 1.48 2.00 0.00 6.08 2.47 4 L C C 100.41 7.11 7.61 16.00 113.80 -121.94 -81.85 137.74 86.12 5.86 8.03 69.41 9.59 6.89 2.38 5.74 0.00 3.90 2.08 5 Q C C 132.44 2.37 11.38 15.10 116.14 -152.78 -97.89 136.93 88.68 4.03 7.29 60.25 18.62 9.79 2.04 5.29 0.00 2.35 1.67 6 E C C 131.91 4.02 9.61 15.48 113.92 -115.25 -83.97 135.65 91.01 3.03 5.96 57.86 25.10 8.05 1.76 4.14 0.00 1.55 1.54 7 D C C 92.86 4.52 10.18 16.48 111.42 -142.91 -99.15 113.85 98.15 1.12 0.73 77.28 18.91 1.99 0.27 0.42 0.00 0.51 0.62 8 P C C 88.22 5.50 9.11 16.29 104.66 -152.43 -73.66 50.85 97.52 0.56 1.92 60.26 27.48 9.86 0.65 1.15 0.00 0.24 0.36 9 D C C 94.86 3.31 11.08 15.86 111.76 -111.47 -84.35 128.58 95.83 0.75 3.42 52.08 37.47 6.36 1.87 1.40 0.00 0.27 0.55 10 P C C 89.40 4.35 10.09 16.10 102.53 -119.03 -73.76 9.17 73.07 1.05 25.88 46.62 12.30 13.97 14.69 11.24 0.00 0.47 0.71 11 E C C 119.03 4.68 10.49 16.59 102.37 97.33 -79.69 -2.02 60.47 1.42 38.12 34.02 12.07 14.72 23.27 14.44 0.01 0.68 0.80 12 D C C 88.65 5.44 10.76 17.60 104.27 72.12 -83.58 23.33 55.12 1.85 43.04 33.72 10.55 11.02 27.85 15.06 0.02 0.93 0.85 13 E C C 117.20 4.57 11.81 17.82 103.86 102.32 -82.28 22.65 53.84 1.72 44.44 33.34 11.79 9.55 32.88 10.82 0.02 0.82 0.78 14 N C C 79.91 5.92 12.43 19.77 104.67 64.52 -89.51 73.24 63.14 1.38 35.48 46.24 8.56 8.52 26.72 8.57 0.00 0.66 0.73 15 L H H 80.16 8.66 11.66 21.59 96.00 143.45 -70.23 -25.36 43.39 1.80 54.81 22.46 8.81 12.41 35.95 18.59 0.05 0.98 0.74 16 Y H H 127.77 6.81 12.55 20.45 97.90 63.71 -80.25 -15.57 43.75 3.33 52.93 20.30 9.36 14.34 32.49 20.24 0.11 1.97 1.19 17 E C C 121.17 3.86 14.10 19.13 103.12 69.52 -82.58 3.72 51.08 4.06 44.86 28.78 10.05 12.84 26.69 17.69 0.06 2.32 1.56 18 K C C 112.71 6.93 12.79 20.93 107.80 74.90 -85.56 107.24 71.11 4.87 24.01 38.31 23.20 10.63 16.77 6.04 0.06 1.85 3.14 19 N C C 62.75 9.57 11.56 22.38 110.76 -90.67 -108.62 105.86 95.96 2.85 1.19 72.75 20.83 2.27 0.58 0.55 0.00 1.19 1.84 20 P C C 75.07 7.15 12.70 21.56 100.19 -159.45 -69.85 2.44 89.70 2.18 8.12 41.68 17.68 30.60 1.65 6.21 0.00 1.02 1.16 21 D C T 83.55 6.09 12.34 19.78 107.09 82.37 -89.96 76.16 82.84 6.72 10.44 27.44 24.59 31.71 1.84 7.86 0.04 2.99 3.54 22 S C C 71.90 5.33 11.45 18.14 101.32 -121.08 -83.90 6.19 80.68 5.48 13.84 30.68 24.06 26.37 1.80 11.68 0.01 2.64 2.75 23 H C T 125.01 4.24 12.06 17.60 100.08 62.76 -93.93 15.59 84.00 4.74 11.26 19.61 25.49 38.96 1.52 9.48 0.02 2.32 2.60 24 G C T 45.91 4.78 12.61 18.81 102.50 -88.53 83.12 -1.20 89.62 4.01 6.37 19.99 32.84 36.78 0.81 5.71 0.00 2.14 1.73 25 Y C C 142.22 4.76 12.63 18.46 101.68 76.26 -91.68 -4.73 84.46 11.83 3.70 42.86 26.88 14.95 0.83 3.05 0.01 5.02 6.39 26 D C C 58.46 9.16 9.57 20.09 119.02 90.45 -107.98 135.37 90.56 8.01 1.43 69.68 14.75 5.41 0.43 1.07 0.00 3.80 4.85 27 K C S 160.78 1.77 13.81 16.25 96.85 -153.17 -81.67 -14.33 98.56 0.78 0.65 22.70 71.96 4.17 0.22 0.26 0.00 0.37 0.32 28 D C C 77.28 3.87 13.28 18.59 110.01 80.55 -100.07 107.75 98.80 0.78 0.42 63.16 35.02 0.67 0.29 0.11 0.00 0.24 0.51 29 P H H 73.86 7.87 11.69 21.25 93.57 -162.39 -62.57 -33.69 9.78 0.13 90.09 3.68 2.26 4.34 88.52 1.06 0.01 0.06 0.05 30 I H H 101.47 3.24 15.58 19.41 92.51 53.92 -65.16 -40.89 3.79 0.05 96.16 0.83 0.51 2.41 95.46 0.73 0.01 0.03 0.02 31 V H H 68.71 3.66 16.53 20.99 92.30 48.36 -65.74 -41.24 1.29 0.03 98.68 0.43 0.13 0.65 98.28 0.48 0.00 0.02 0.00 32 D H H 31.46 8.97 13.71 24.94 92.36 50.88 -64.12 -41.62 0.56 0.01 99.44 0.21 0.05 0.24 99.29 0.21 0.00 0.00 0.00 33 L H H 66.10 6.92 17.05 25.16 92.01 50.26 -64.02 -42.30 0.23 0.00 99.77 0.04 0.01 0.13 99.74 0.08 0.00 0.00 0.00 34 W H H 122.41 5.02 18.24 23.90 92.19 49.44 -64.38 -42.19 0.18 0.00 99.82 0.03 0.01 0.11 99.80 0.05 0.00 0.00 0.00 35 N H H 73.93 5.31 18.26 24.35 92.06 49.20 -65.36 -41.00 0.23 0.00 99.77 0.02 0.01 0.15 99.76 0.05 0.00 0.00 0.00 36 M H H 77.13 6.28 17.81 25.09 92.14 50.16 -65.14 -41.40 0.14 0.00 99.86 0.01 0.01 0.10 99.85 0.04 0.00 0.00 0.00 37 R H H 99.51 7.08 17.74 25.65 92.08 50.29 -64.94 -41.08 0.19 0.00 99.81 0.01 0.01 0.14 99.79 0.05 0.00 0.00 0.00 38 V H H 63.44 6.50 17.74 25.19 92.32 49.87 -64.98 -41.88 0.19 0.00 99.81 0.01 0.01 0.15 99.79 0.04 0.00 0.00 0.00 39 V H H 72.32 4.21 18.82 23.41 92.15 49.29 -64.73 -42.25 0.16 0.00 99.84 0.01 0.01 0.11 99.84 0.04 0.00 0.00 0.00 40 F H H 95.07 5.36 18.43 24.39 92.17 48.79 -65.05 -41.69 0.24 0.00 99.76 0.02 0.01 0.18 99.73 0.06 0.00 0.00 0.00 41 F H H 81.68 8.21 17.29 26.36 92.11 48.90 -64.93 -41.73 0.28 0.00 99.72 0.02 0.01 0.22 99.67 0.08 0.00 0.00 0.00 42 F H H 99.38 5.96 18.39 24.77 92.28 48.64 -65.37 -41.47 0.40 0.00 99.60 0.02 0.02 0.31 99.55 0.10 0.00 0.00 0.00 43 G H H 34.80 3.74 19.01 22.87 91.96 49.85 -65.16 -41.43 0.96 0.00 99.04 0.05 0.04 0.79 98.95 0.16 0.00 0.00 0.00 44 F H H 93.80 5.84 18.93 25.18 92.40 47.55 -66.08 -41.64 1.72 0.01 98.28 0.09 0.10 1.42 98.17 0.20 0.01 0.00 0.00 45 S H H 32.60 10.20 16.40 27.69 92.22 50.26 -65.11 -41.87 2.52 0.03 97.45 0.28 0.24 1.91 97.24 0.29 0.02 0.01 0.01 46 I H H 83.97 4.98 19.24 24.56 92.16 49.17 -64.72 -41.81 1.55 0.03 98.42 0.25 0.17 1.09 98.05 0.41 0.01 0.01 0.01 47 V H H 76.59 3.73 19.06 22.76 92.22 49.31 -65.34 -41.81 1.29 0.05 98.66 0.24 0.12 0.91 97.93 0.75 0.01 0.03 0.01 48 L H H 72.23 7.38 17.59 25.69 92.37 48.29 -66.38 -40.96 1.74 0.08 98.18 0.18 0.14 1.44 97.18 0.97 0.02 0.06 0.01 49 V H H 60.28 7.96 16.81 25.51 92.73 46.46 -66.20 -41.46 3.85 0.18 95.97 0.27 0.32 3.41 94.78 1.00 0.07 0.11 0.04 50 L H H 88.83 3.62 18.31 22.06 92.41 48.12 -65.98 -40.37 9.42 0.16 90.43 0.72 0.87 8.04 88.75 1.39 0.09 0.09 0.06 51 G H H 32.20 4.42 16.44 21.83 92.44 51.64 -65.28 -41.43 14.18 0.15 85.67 1.99 1.83 10.71 82.83 2.41 0.08 0.07 0.08 52 S H H 47.11 5.80 15.72 22.60 92.61 50.17 -66.05 -39.94 13.26 0.19 86.55 1.91 1.93 9.93 81.72 4.19 0.12 0.10 0.09 53 T H H 62.65 5.73 15.26 21.99 92.88 49.79 -66.76 -39.25 8.77 0.17 91.06 1.17 1.20 6.69 85.46 5.19 0.12 0.10 0.06 54 F H H 113.32 4.17 14.53 19.72 93.34 50.09 -67.84 -37.54 7.97 0.18 91.84 1.05 1.14 6.00 84.33 7.16 0.14 0.12 0.07 55 V H H 93.32 3.57 14.21 18.52 94.19 48.57 -71.82 -32.19 12.67 0.19 87.15 1.22 1.51 10.07 79.20 7.60 0.20 0.11 0.09 56 A H H 70.28 3.94 13.52 18.07 95.87 48.22 -78.81 -26.25 27.71 0.40 71.89 2.79 4.52 21.22 64.80 5.89 0.35 0.18 0.26 57 Y C H 124.06 5.64 12.46 19.34 107.42 40.77 -110.02 35.56 58.02 2.02 39.96 15.08 21.74 23.35 33.34 4.11 0.27 0.66 1.45 58 L C C 94.87 5.74 13.60 21.05 115.12 120.63 -75.56 134.25 96.37 1.28 2.36 66.38 26.66 3.31 1.54 0.75 0.00 0.52 0.85 59 P C C 60.44 11.18 10.96 22.83 113.18 -108.19 -68.65 147.20 96.65 1.01 2.35 81.55 11.16 3.93 1.20 0.97 0.00 0.42 0.77 60 D C C 71.95 5.93 13.37 20.67 115.49 -126.79 -85.21 145.40 95.12 1.42 3.46 84.99 7.00 2.94 2.15 1.08 0.00 0.48 1.36 61 Y C T 162.51 3.12 12.99 17.61 94.25 -118.61 -63.26 -29.86 50.45 0.32 49.23 5.83 6.79 35.92 33.93 17.01 0.09 0.14 0.28 62 R H H 158.44 2.35 15.36 17.90 93.53 54.41 -69.18 -24.89 48.28 0.22 51.50 4.98 5.13 36.25 38.86 14.45 0.07 0.10 0.18 63 M H H 60.66 11.85 13.42 25.67 96.51 52.58 -80.13 -20.17 25.11 0.29 74.60 11.04 4.00 10.34 60.30 14.01 0.02 0.15 0.14 64 Q H H 64.54 12.82 15.44 28.38 92.83 69.30 -63.07 -42.04 5.39 0.03 94.59 2.09 0.72 2.38 92.76 2.04 0.00 0.01 0.01 65 E H H 98.48 4.29 21.46 25.65 92.27 51.27 -65.32 -40.99 2.30 0.01 97.69 0.62 0.24 1.26 96.47 1.39 0.00 0.00 0.00 66 W H H 94.51 6.84 21.26 28.48 91.98 50.44 -64.37 -41.95 1.34 0.00 98.65 0.30 0.12 0.80 97.67 1.10 0.00 0.00 0.00 67 A H H 14.66 16.35 17.90 34.93 91.65 51.17 -63.77 -42.70 0.67 0.00 99.33 0.20 0.06 0.33 99.17 0.24 0.00 0.00 0.00 68 R H H 87.42 11.79 22.36 33.80 91.81 50.50 -63.80 -41.86 0.22 0.00 99.77 0.04 0.01 0.12 99.76 0.06 0.00 0.00 0.00 69 R H H 99.52 5.17 24.63 29.88 91.56 50.38 -64.07 -42.47 0.14 0.00 99.86 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 70 E H H 52.07 10.22 22.95 33.44 91.75 49.46 -64.63 -42.01 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.03 0.00 0.00 0.00 71 A H H 12.67 17.24 18.91 36.72 91.25 51.47 -63.35 -42.30 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 72 E H H 76.36 8.36 22.76 31.57 91.46 50.84 -63.72 -41.70 0.16 0.00 99.84 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 73 R H H 103.18 4.63 23.31 27.69 91.44 50.34 -64.54 -41.62 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 74 L H H 42.15 12.00 19.85 32.40 91.89 50.09 -64.47 -41.76 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 75 V H H 29.54 14.08 17.35 32.11 91.68 50.08 -64.09 -42.15 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 76 K H H 110.23 2.88 21.09 23.51 91.53 50.24 -63.86 -41.80 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 77 Y H H 101.47 3.93 18.53 22.82 91.83 49.28 -64.68 -41.85 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 78 R H H 49.80 11.18 13.05 25.71 92.07 49.62 -65.05 -41.10 0.30 0.00 99.70 0.03 0.01 0.20 99.68 0.08 0.00 0.00 0.00 79 E H H 94.41 6.15 13.49 21.10 91.81 50.23 -64.20 -40.63 0.83 0.00 99.17 0.05 0.03 0.65 98.90 0.37 0.00 0.00 0.00 80 A H H 88.57 1.14 14.47 15.14 90.84 52.59 -66.34 -28.34 6.93 0.01 93.06 0.13 0.18 6.94 92.12 0.61 0.00 0.00 0.00 81 N C T 103.18 3.03 12.44 16.58 93.59 49.48 -90.54 1.43 84.05 0.01 15.94 0.21 0.74 83.47 15.07 0.50 0.00 0.00 0.01 82 G C T 58.77 1.46 14.67 16.07 95.72 -109.63 79.19 12.98 99.88 0.00 0.12 0.81 0.76 98.37 0.03 0.02 0.00 0.00 0.00 83 L C C 55.50 10.88 8.75 20.77 117.43 146.09 -91.07 139.58 99.66 0.30 0.03 94.28 5.29 0.07 0.01 0.01 0.00 0.08 0.25 84 P C C 73.95 4.05 16.89 21.64 113.60 -105.70 -66.86 148.39 99.42 0.30 0.27 95.85 2.57 1.02 0.05 0.19 0.00 0.14 0.18 85 L C S 84.09 12.30 12.08 24.46 95.12 -114.10 -64.98 -23.94 95.97 1.65 2.38 30.52 35.83 29.22 0.28 2.43 0.00 0.69 1.04 86 M C C 109.67 6.98 13.33 21.14 100.82 55.15 -89.90 14.02 94.20 3.31 2.48 41.55 25.12 27.00 0.30 2.54 0.00 1.26 2.23 87 E C C 84.18 7.45 11.73 20.76 120.24 122.96 -86.65 145.03 95.09 2.35 2.56 69.65 22.57 2.38 0.65 1.96 0.00 0.82 1.96 88 S C T 88.82 2.52 14.04 17.80 93.17 -112.77 -64.74 -21.56 82.25 0.58 17.17 5.70 10.17 64.65 1.28 17.50 0.00 0.35 0.35 89 N C T 86.12 7.46 13.20 21.70 97.52 60.32 -88.19 11.08 82.23 0.42 17.35 9.79 6.83 64.72 1.97 16.19 0.00 0.25 0.24 90 C C S 45.81 12.98 12.82 26.15 99.48 114.33 -80.02 -10.63 84.20 3.17 12.64 28.94 32.09 23.03 1.87 10.51 0.01 1.32 2.24 91 F C S 63.81 12.93 12.43 26.01 123.82 42.06 -113.82 138.51 90.13 8.67 1.20 28.16 57.35 3.35 0.50 0.57 0.00 2.33 7.74 92 D C C 76.41 4.18 18.38 23.18 108.07 -117.37 -81.23 119.74 99.70 0.26 0.03 98.65 1.08 0.06 0.01 0.01 0.00 0.10 0.09 93 P H G 59.98 14.00 9.35 23.46 92.09 -148.65 -61.40 -26.62 12.54 0.11 87.35 1.26 1.01 7.96 0.78 88.91 0.00 0.08 0.01 94 N H G 130.97 1.16 15.12 16.18 89.99 64.23 -69.92 -16.40 12.42 0.08 87.50 0.51 0.80 9.16 0.65 88.84 0.00 0.05 0.00 95 K H G 135.71 2.73 14.22 17.81 94.74 55.56 -93.39 -5.74 12.88 0.22 86.89 1.70 1.72 7.36 0.71 88.35 0.00 0.15 0.02 96 I C C 41.94 16.60 7.33 23.19 118.45 93.24 -94.25 132.04 87.78 10.17 2.06 55.39 31.47 1.30 0.68 1.26 0.00 4.90 4.99 97 Q C C 134.55 1.78 18.23 19.90 114.25 -149.20 -102.10 124.02 84.86 14.85 0.29 83.61 2.09 0.30 0.12 0.13 0.00 7.66 6.08 98 L C C 67.06 14.62 9.09 23.34 119.35 -149.35 -91.84 141.96 97.89 2.03 0.08 93.83 4.17 0.17 0.03 0.04 0.00 1.19 0.58 99 P C C 63.88 7.00 10.94 19.79 115.40 -105.41 -67.25 153.22 98.87 0.67 0.46 93.37 4.44 1.12 0.11 0.29 0.00 0.31 0.36 100 E C C 134.66 2.21 11.68 15.06 113.97 -104.50 -74.68 153.27 95.95 1.15 2.90 85.02 6.73 4.00 0.71 2.15 0.00 0.46 0.93 101 D C C 120.55 2.08 9.14 12.68 100.63 -100.88 -70.87 -13.00 91.69 0.97 7.34 36.83 22.79 31.82 1.11 6.45 0.00 0.45 0.55 102 E C C 144.83 1.86 7.91 11.18 104.16 81.32 -81.35 29.09 93.17 0.75 6.08 65.50 3.64 24.70 1.30 4.07 0.00 0.42 0.38 103 D C C 106.94 2.96 9.56 14.11 105.27 83.08 -80.77 56.40 99.69 0.09 0.22 99.27 0.27 0.27 0.07 0.05 0.00 0.05 0.03