# 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 108.01 6.62 12.09 20.07 116.77 -160.26 -96.61 132.15 99.90 0.09 0.01 99.78 0.11 0.05 0.00 0.00 0.00 0.04 0.01 1 V C C 109.02 2.93 11.86 16.50 115.73 -148.86 -96.28 128.63 96.61 3.04 0.35 94.65 1.52 0.89 0.16 0.11 0.00 1.50 1.16 2 L C C 60.78 11.89 7.00 19.02 118.58 -148.01 -93.85 139.03 97.42 2.23 0.35 88.15 8.96 0.35 0.26 0.09 0.00 0.83 1.36 3 S C C 54.02 2.54 13.08 16.52 119.60 -119.69 -74.45 163.98 99.63 0.17 0.20 99.05 0.59 0.09 0.14 0.01 0.00 0.05 0.06 4 N H H 125.01 1.29 12.08 13.83 91.48 -101.36 -59.17 -38.18 2.59 0.00 97.41 0.62 0.49 1.24 97.35 0.29 0.00 0.00 0.00 5 E H H 126.41 1.42 13.13 14.49 91.97 52.08 -64.85 -40.33 1.25 0.00 98.75 0.21 0.14 0.73 98.64 0.27 0.00 0.00 0.00 6 E H H 77.90 6.37 12.05 20.16 91.93 49.40 -65.77 -39.98 0.47 0.00 99.53 0.12 0.05 0.23 99.39 0.21 0.00 0.00 0.00 7 Q H H 84.02 4.28 13.95 19.73 91.73 51.12 -64.09 -41.02 0.16 0.00 99.84 0.04 0.01 0.07 99.83 0.05 0.00 0.00 0.00 8 E H H 108.55 1.55 17.26 17.64 91.74 49.90 -64.44 -41.17 0.14 0.00 99.86 0.03 0.01 0.07 99.88 0.02 0.00 0.00 0.00 9 F H H 82.45 4.90 15.49 21.81 92.03 49.86 -64.66 -41.68 0.15 0.00 99.85 0.02 0.00 0.08 99.87 0.02 0.00 0.00 0.00 10 I H H 62.00 7.00 15.06 23.75 92.01 50.26 -64.14 -41.79 0.18 0.00 99.82 0.03 0.01 0.10 99.84 0.02 0.00 0.00 0.00 11 K H H 115.86 2.00 18.32 19.57 91.75 50.28 -63.84 -41.38 0.28 0.00 99.71 0.04 0.01 0.16 99.75 0.02 0.00 0.00 0.00 12 R H H 127.67 2.25 17.82 19.63 91.88 49.63 -64.70 -41.13 0.31 0.00 99.69 0.04 0.01 0.19 99.72 0.03 0.00 0.00 0.00 13 K H H 84.06 7.57 15.47 24.22 92.12 50.41 -64.43 -40.81 0.38 0.00 99.62 0.05 0.02 0.23 99.67 0.04 0.00 0.00 0.00 14 H H H 102.80 3.56 17.64 21.69 91.83 50.20 -64.76 -40.33 0.48 0.00 99.52 0.08 0.02 0.28 99.56 0.05 0.00 0.00 0.00 15 E H H 106.05 1.73 19.00 19.32 91.78 50.12 -64.33 -41.63 0.44 0.00 99.56 0.07 0.03 0.26 99.61 0.04 0.00 0.00 0.00 16 A H H 42.95 5.40 16.50 23.29 92.08 49.95 -64.51 -41.42 0.47 0.00 99.53 0.06 0.03 0.28 99.59 0.03 0.00 0.00 0.00 17 T H H 50.44 7.19 15.71 24.42 92.08 50.67 -64.15 -41.32 0.37 0.00 99.62 0.08 0.02 0.19 99.67 0.03 0.00 0.00 0.00 18 L H H 88.61 2.28 18.46 20.12 91.67 50.58 -64.15 -40.84 0.29 0.00 99.71 0.05 0.02 0.16 99.75 0.03 0.00 0.00 0.00 19 K H H 116.04 2.14 18.37 19.86 92.00 49.87 -64.66 -41.33 0.27 0.00 99.73 0.03 0.01 0.15 99.77 0.03 0.00 0.00 0.00 20 L H H 63.86 7.52 15.58 24.55 92.11 49.96 -65.15 -40.71 0.30 0.00 99.70 0.04 0.01 0.18 99.73 0.04 0.00 0.00 0.00 21 R H H 118.85 4.72 17.35 23.03 91.84 51.24 -63.55 -40.46 0.36 0.00 99.64 0.04 0.02 0.21 99.68 0.05 0.00 0.00 0.00 22 Q H H 99.78 2.13 18.75 20.10 91.81 50.14 -64.75 -40.66 0.34 0.00 99.66 0.04 0.02 0.21 99.69 0.05 0.00 0.00 0.00 23 E H H 82.62 5.15 17.14 23.35 91.93 50.71 -64.36 -41.04 0.38 0.00 99.62 0.04 0.02 0.24 99.63 0.07 0.00 0.00 0.00 24 F H H 71.34 9.27 15.30 25.89 92.05 50.53 -64.23 -41.60 0.57 0.00 99.43 0.08 0.03 0.36 99.38 0.15 0.00 0.00 0.00 25 L H H 87.87 3.71 18.21 22.33 91.85 50.17 -64.32 -40.44 0.99 0.00 99.01 0.13 0.07 0.66 98.79 0.35 0.00 0.00 0.00 26 K H H 112.21 3.39 18.50 22.21 91.97 50.45 -65.29 -40.12 2.54 0.00 97.45 0.24 0.17 1.90 96.85 0.83 0.01 0.00 0.00 27 Q H H 65.43 10.64 15.68 27.11 92.19 50.44 -66.72 -36.41 5.97 0.02 94.01 0.67 0.48 4.52 92.47 1.82 0.02 0.01 0.01 28 S H H 48.52 10.33 16.30 27.25 92.21 53.65 -70.17 -27.93 17.45 0.05 82.50 1.19 1.22 14.73 80.98 1.81 0.03 0.01 0.03 29 S H H 66.81 4.49 18.49 23.58 97.36 47.20 -96.29 -1.70 45.42 0.18 54.40 3.83 5.66 35.10 52.85 2.29 0.05 0.06 0.16 30 N C C 44.90 11.37 12.10 25.20 109.67 109.69 -81.63 116.93 99.35 0.32 0.33 84.36 14.57 0.40 0.21 0.09 0.00 0.09 0.29 31 P C T 73.14 7.11 15.33 24.18 93.01 -155.28 -66.52 -19.53 79.56 0.28 20.16 10.52 9.06 59.68 9.67 10.69 0.00 0.13 0.24 32 Y C T 118.79 6.49 15.54 23.15 97.82 62.31 -88.02 -0.31 72.14 1.03 26.83 9.96 7.95 53.07 15.85 11.80 0.04 0.48 0.83 33 R H H 86.11 10.53 12.51 24.04 97.86 101.59 -68.65 -32.54 40.11 1.77 58.13 19.44 8.72 12.96 35.01 21.96 0.11 0.80 0.99 34 H H H 106.20 6.25 13.01 20.46 96.44 60.13 -72.18 -30.00 35.51 1.47 63.02 15.83 6.16 13.46 38.14 24.83 0.08 0.76 0.73 35 A H H 75.26 3.37 12.78 17.36 94.64 59.65 -71.62 -26.42 36.43 1.51 62.06 9.65 7.52 18.66 37.37 25.04 0.24 0.75 0.78 36 T C T 88.77 3.59 11.78 16.63 99.67 45.16 -91.95 -2.73 58.94 0.98 40.07 7.76 14.28 36.19 23.19 17.09 0.16 0.43 0.91 37 G C T 55.83 2.76 11.77 15.89 100.73 -104.27 81.08 6.45 91.17 0.53 8.30 14.29 26.07 51.19 2.30 5.51 0.00 0.23 0.40 38 E C T 132.69 2.85 11.12 15.57 107.47 119.56 -93.06 79.96 90.71 1.82 7.47 30.22 29.05 31.27 1.26 6.27 0.00 0.77 1.16 39 G C C 52.63 3.09 12.51 17.02 107.30 -51.63 87.25 3.03 93.43 2.02 4.55 42.98 25.44 24.68 0.65 4.28 0.00 0.94 1.03 40 G C C 40.57 6.24 12.44 20.10 115.84 -146.11 97.48 -165.20 94.10 3.55 2.34 62.99 24.16 6.66 0.45 2.16 0.00 1.91 1.66 41 T C C 79.70 7.13 13.74 22.17 117.73 -69.87 -101.99 133.46 86.39 11.97 1.64 68.37 14.34 2.96 0.59 1.18 0.00 6.19 6.37 42 V C C 71.39 10.15 13.79 24.83 112.33 -157.26 -97.29 119.30 88.95 9.70 1.35 66.64 19.28 3.00 0.55 0.85 0.00 5.73 3.95 43 F C C 116.02 8.10 15.39 24.56 114.64 -159.58 -99.95 124.15 93.33 5.62 1.05 75.21 16.08 1.86 0.55 0.49 0.00 2.29 3.51 44 D C C 46.70 13.02 12.99 26.57 113.67 -172.71 -104.27 116.91 98.92 0.38 0.70 94.15 4.41 0.35 0.66 0.08 0.00 0.12 0.23 45 A H H 64.47 4.55 18.79 24.27 92.84 -140.39 -62.38 -33.16 7.04 0.01 92.95 0.81 0.80 5.04 92.21 1.12 0.01 0.00 0.01 46 G H H 18.81 12.25 16.25 29.43 92.24 54.74 -64.53 -40.05 5.47 0.01 94.52 0.45 0.42 4.42 93.45 1.26 0.01 0.01 0.01 47 L H H 45.79 12.48 16.76 29.87 92.32 49.59 -65.92 -40.66 1.84 0.01 98.15 0.38 0.18 1.11 97.30 1.02 0.00 0.00 0.00 48 A H H 49.46 5.34 19.66 25.69 91.72 51.16 -63.87 -41.63 0.53 0.00 99.47 0.13 0.05 0.25 99.34 0.22 0.00 0.00 0.00 49 R H H 102.05 7.12 19.38 27.15 92.02 50.28 -64.35 -41.52 0.29 0.00 99.71 0.05 0.02 0.15 99.70 0.08 0.00 0.00 0.00 50 F H H 52.84 13.76 16.60 30.81 92.17 50.55 -64.43 -41.46 0.17 0.00 99.83 0.02 0.01 0.09 99.81 0.06 0.00 0.00 0.00 51 Q H H 79.04 6.47 19.16 26.47 91.84 50.89 -63.65 -41.47 0.22 0.00 99.78 0.02 0.01 0.14 99.74 0.09 0.00 0.00 0.00 52 A H H 50.20 3.88 18.41 22.89 91.74 50.61 -64.31 -40.89 0.61 0.00 99.39 0.05 0.03 0.44 99.27 0.21 0.00 0.00 0.00 53 M H H 50.19 11.22 14.34 26.77 92.31 51.06 -65.66 -38.75 2.19 0.00 97.81 0.17 0.13 1.68 97.41 0.61 0.00 0.00 0.00 54 R H H 111.62 9.01 15.43 25.06 92.85 50.27 -67.47 -36.07 7.17 0.01 92.82 0.42 0.44 6.06 92.23 0.83 0.01 0.00 0.00 55 V H H 100.95 2.19 16.40 18.36 97.45 42.06 -81.22 -30.56 18.58 0.05 81.37 1.16 1.91 15.12 80.81 0.93 0.03 0.01 0.03 56 S C H 57.12 4.66 13.97 19.81 103.18 40.10 -96.97 -9.23 61.01 0.55 38.44 13.79 19.21 27.43 37.07 1.90 0.03 0.15 0.42 57 N C C 74.22 9.53 12.16 22.59 96.47 -130.61 -62.56 -7.27 67.87 0.65 31.48 41.07 6.69 20.82 19.37 11.27 0.00 0.29 0.48 58 Y H G 113.88 8.18 12.23 21.78 94.98 92.29 -65.87 -29.26 40.61 0.53 58.86 11.02 6.54 22.38 22.53 36.91 0.03 0.25 0.34 59 E H G 122.10 4.02 15.41 20.37 93.97 59.79 -72.06 -23.56 42.29 0.30 57.41 5.47 5.52 29.27 23.31 36.01 0.03 0.14 0.24 60 H H T 106.42 6.31 14.30 21.62 100.50 41.38 -96.72 -10.36 47.22 0.72 52.07 6.94 8.24 30.70 23.27 29.80 0.14 0.34 0.57 61 F C C 74.68 12.23 11.42 24.20 117.10 57.95 -112.48 124.47 73.48 14.75 11.77 43.99 22.51 6.30 6.87 4.32 0.10 5.05 10.87 62 K C C 123.73 4.33 18.04 23.63 120.27 -160.44 -111.13 130.40 91.50 8.31 0.19 74.34 17.20 0.40 0.10 0.10 0.00 6.29 1.58 63 P C C 53.48 14.70 11.08 25.67 113.47 -111.45 -67.37 141.70 90.51 9.22 0.27 88.85 2.12 0.27 0.15 0.10 0.00 5.11 3.40 64 T C C 58.17 5.50 15.38 22.17 126.00 -152.44 -101.99 168.83 97.54 2.09 0.36 94.85 2.49 0.18 0.28 0.06 0.00 0.54 1.59 65 G H H 52.02 2.67 14.33 17.82 91.62 -99.30 -60.11 -37.08 8.57 0.02 91.40 0.83 1.62 6.16 90.08 1.26 0.03 0.01 0.02 66 K H H 129.69 1.99 15.75 17.68 92.17 52.33 -65.29 -40.05 5.52 0.01 94.46 0.36 0.52 4.61 93.09 1.39 0.02 0.00 0.01 67 S H H 23.75 11.41 12.22 25.09 92.04 50.14 -65.74 -39.40 3.28 0.02 96.70 0.51 0.33 2.30 95.13 1.71 0.01 0.01 0.00 68 F H H 89.89 7.94 14.67 23.88 91.77 51.96 -63.72 -41.29 1.13 0.00 98.86 0.24 0.11 0.64 98.44 0.55 0.00 0.00 0.00 69 R H H 140.35 1.91 18.07 19.26 91.72 50.26 -65.00 -41.11 0.72 0.00 99.28 0.11 0.06 0.45 99.06 0.32 0.00 0.00 0.00 70 T H H 67.44 3.96 17.48 22.02 91.98 49.18 -65.11 -41.04 0.73 0.00 99.27 0.08 0.04 0.51 99.08 0.28 0.00 0.00 0.00 71 G H H 18.61 10.24 14.04 25.86 91.96 50.55 -64.17 -41.28 1.39 0.00 98.61 0.14 0.07 1.03 98.35 0.40 0.00 0.00 0.00 72 L H H 83.65 4.61 16.56 21.90 91.78 50.57 -64.24 -41.42 0.89 0.00 99.11 0.08 0.04 0.66 98.55 0.66 0.00 0.00 0.00 73 F H H 124.23 2.02 17.36 18.84 92.32 50.09 -65.26 -40.84 0.75 0.00 99.25 0.04 0.03 0.63 97.91 1.39 0.00 0.00 0.00 74 A H H 52.74 5.08 15.73 21.91 92.49 49.58 -65.95 -40.35 3.00 0.00 97.00 0.05 0.06 3.20 94.69 2.01 0.00 0.00 0.00 75 V H H 67.00 6.94 14.96 22.91 93.34 46.68 -66.83 -40.29 16.10 0.00 83.90 0.16 0.32 16.90 80.87 1.74 0.01 0.00 0.00 76 V H H 81.57 3.25 16.63 20.07 92.84 49.72 -65.85 -40.91 7.80 0.01 92.19 0.20 0.44 7.23 91.50 0.61 0.01 0.00 0.00 77 L H H 89.28 2.38 17.01 19.22 92.13 51.02 -64.15 -42.55 1.50 0.00 98.49 0.23 0.13 0.90 98.26 0.48 0.00 0.00 0.00 78 P H H 58.45 4.98 15.38 21.79 91.93 49.74 -64.41 -40.92 0.74 0.00 99.25 0.14 0.04 0.44 98.84 0.53 0.00 0.00 0.00 79 I H H 85.59 4.39 15.98 21.14 91.92 49.44 -64.64 -41.26 0.15 0.00 99.85 0.02 0.01 0.09 99.63 0.26 0.00 0.00 0.00 80 A H H 60.19 2.43 16.56 18.97 91.92 50.12 -64.30 -41.73 0.08 0.00 99.92 0.01 0.00 0.04 99.88 0.06 0.00 0.00 0.00 81 L H H 91.30 2.34 16.76 18.96 91.91 49.62 -65.00 -41.82 0.10 0.00 99.90 0.01 0.00 0.07 99.86 0.06 0.00 0.00 0.00 82 Y H H 115.32 3.95 15.78 20.49 91.98 49.43 -65.05 -41.02 0.15 0.00 99.85 0.01 0.00 0.12 99.80 0.07 0.00 0.00 0.00 83 A H H 51.21 4.08 14.98 20.21 91.66 51.17 -63.59 -41.69 0.34 0.00 99.66 0.02 0.01 0.27 99.58 0.11 0.00 0.00 0.00 84 W H H 146.97 1.89 16.57 18.00 91.93 49.83 -65.30 -40.90 0.67 0.00 99.33 0.04 0.04 0.56 99.15 0.21 0.00 0.00 0.00 85 A H H 55.02 2.86 15.52 18.97 91.81 50.37 -64.41 -41.48 1.17 0.00 98.82 0.13 0.11 0.86 98.43 0.46 0.00 0.00 0.00 86 L H H 79.17 4.60 14.19 20.01 92.24 49.79 -65.18 -40.61 2.60 0.01 97.39 0.33 0.25 1.88 96.63 0.90 0.00 0.01 0.00 87 K H H 118.16 3.13 15.20 19.01 92.47 49.85 -66.32 -38.60 5.34 0.02 94.64 0.64 0.52 3.90 93.84 1.07 0.01 0.01 0.01 88 A H H 65.53 2.18 15.99 17.96 93.42 49.66 -69.02 -37.53 14.04 0.06 85.90 2.09 2.09 9.60 84.84 1.29 0.02 0.02 0.04 89 E H H 103.16 3.82 15.47 19.95 96.57 46.41 -82.81 -27.53 37.74 0.27 61.99 13.96 5.71 17.62 60.83 1.61 0.01 0.09 0.17 90 R H H 93.84 9.38 12.95 23.37 93.89 66.56 -65.06 -38.33 27.08 0.17 72.75 13.92 3.83 9.25 70.63 2.21 0.00 0.06 0.10 91 D H H 87.80 3.26 16.87 20.59 92.66 54.11 -65.03 -40.08 14.05 0.06 85.89 5.85 2.01 5.87 84.49 1.71 0.00 0.02 0.03 92 G H H 37.25 2.42 18.00 20.03 92.28 50.34 -64.36 -41.75 7.14 0.03 92.83 2.37 1.05 3.47 91.74 1.34 0.01 0.01 0.01 93 R H H 93.73 7.65 17.04 25.71 92.17 49.00 -65.74 -41.09 2.77 0.01 97.22 0.84 0.37 1.40 96.70 0.67 0.00 0.01 0.00 94 E H H 53.94 10.49 15.55 27.28 91.85 50.81 -64.02 -41.30 1.61 0.01 98.38 0.47 0.19 0.80 98.15 0.37 0.00 0.00 0.00 95 E H H 97.28 2.58 18.81 21.03 91.53 50.82 -63.56 -41.32 1.26 0.01 98.73 0.35 0.16 0.68 98.45 0.35 0.01 0.01 0.00 96 K H H 89.89 4.00 17.53 22.27 91.79 50.06 -64.59 -41.39 1.26 0.02 98.72 0.31 0.16 0.75 98.27 0.50 0.01 0.01 0.00 97 Y H H 60.80 12.01 13.56 26.52 92.49 48.90 -65.55 -41.24 1.59 0.02 98.39 0.29 0.16 1.09 97.68 0.76 0.01 0.01 0.00 98 R H H 132.68 5.84 15.51 22.42 91.82 50.88 -67.02 -33.21 5.33 0.01 94.66 0.27 0.30 4.77 94.02 0.62 0.01 0.00 0.01 99 T C T 89.15 1.96 16.30 17.76 92.90 47.38 -86.43 -8.09 62.82 0.04 37.13 0.55 2.18 58.88 37.36 0.96 0.01 0.01 0.05 100 G C T 46.54 5.75 11.42 19.00 94.45 -113.96 79.69 10.09 99.61 0.02 0.37 2.12 7.40 90.22 0.15 0.10 0.00 0.01 0.01 101 Q C S 122.59 2.11 15.36 17.93 94.54 125.14 -78.42 -25.33 99.76 0.14 0.10 11.12 87.95 0.76 0.04 0.03 0.00 0.04 0.07 102 V C S 36.75 11.83 10.38 23.65 129.28 34.19 -128.98 144.68 99.41 0.46 0.13 9.84 89.25 0.44 0.07 0.02 0.00 0.11 0.26 103 A C C 51.43 3.32 18.14 21.65 118.18 -115.69 -73.35 156.22 99.47 0.27 0.26 98.70 0.78 0.11 0.13 0.04 0.00 0.07 0.17 104 Y H G 103.32 12.64 10.89 23.96 90.92 -113.74 -58.33 -35.97 15.42 0.11 84.47 2.31 2.01 10.59 10.05 74.93 0.00 0.07 0.04 105 K H G 151.68 1.57 15.96 17.67 90.26 60.71 -65.18 -26.36 13.87 0.05 86.08 0.89 1.14 11.18 10.03 76.72 0.00 0.03 0.01 106 D H G 84.18 4.24 13.84 19.45 95.42 51.95 -89.16 -5.58 13.31 0.09 86.60 2.00 1.59 8.85 9.68 77.79 0.00 0.05 0.03 107 R C C 57.06 16.25 8.03 23.10 100.90 90.33 -75.41 7.51 60.18 0.70 39.12 41.57 10.09 8.62 14.33 24.56 0.00 0.26 0.57 108 Q C T 124.75 2.86 15.12 18.91 94.96 117.19 -71.05 -22.07 57.95 0.56 41.49 14.97 9.20 33.33 10.32 31.49 0.01 0.26 0.42 109 F C T 107.59 6.88 11.39 19.63 100.02 55.42 -93.48 13.40 57.93 0.56 41.50 15.45 8.23 34.13 7.91 33.64 0.00 0.27 0.37 110 K C C 105.06 9.21 11.12 21.17 99.13 118.78 -69.72 -16.97 66.58 2.25 31.18 36.38 11.47 18.17 6.17 25.56 0.01 1.15 1.10 111 F C C 124.65 6.35 12.46 19.94 97.78 59.14 -84.40 -0.81 81.73 2.91 15.36 62.05 3.80 17.42 4.64 8.92 0.00 1.62 1.56 112 I C C 77.82 10.35 13.34 24.28 108.28 85.08 -92.68 89.06 99.93 0.06 0.01 99.88 0.05 0.03 0.00 0.00 0.00 0.03 0.01