# 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 94.81 8.94 15.63 25.34 115.92 -158.72 -100.42 123.85 99.71 0.27 0.01 99.73 0.07 0.02 0.01 0.00 0.00 0.14 0.02 1 L C C 86.76 9.46 11.79 22.10 111.61 -158.52 -90.07 122.53 83.52 9.42 7.06 78.88 1.27 3.79 4.89 1.69 0.00 6.91 2.58 2 R C C 147.53 4.55 12.76 18.90 111.28 -164.86 -94.49 119.35 75.05 13.21 11.73 54.23 11.24 8.90 7.74 4.38 0.02 10.56 2.91 3 S C C 67.60 6.76 11.57 19.51 110.52 61.88 -86.87 108.35 73.04 11.09 15.86 52.93 12.56 6.93 11.29 5.29 0.02 8.53 2.46 4 T C C 72.78 7.73 12.29 21.08 109.21 68.80 -90.66 106.80 69.11 7.69 23.20 51.76 10.98 5.77 18.49 5.60 0.01 5.41 1.98 5 A C C 66.20 6.63 12.94 20.71 104.34 -125.72 -78.06 47.44 51.24 4.99 43.78 31.36 10.19 9.98 29.73 14.05 0.04 3.35 1.30 6 A C C 69.22 5.48 13.25 19.98 105.74 62.83 -82.59 63.72 50.32 5.75 43.93 30.67 8.91 10.85 28.99 15.03 0.04 4.12 1.40 7 C C C 71.39 7.80 11.79 20.67 107.63 57.66 -90.22 85.07 52.96 7.04 40.00 33.33 8.71 10.99 25.86 14.28 0.06 4.85 1.93 8 L C C 92.97 7.56 11.56 20.22 108.42 62.09 -91.66 94.87 63.10 7.63 29.27 35.31 12.57 15.67 21.20 7.89 0.12 4.46 2.79 9 G C C 47.36 4.77 12.54 18.66 110.85 -102.53 -33.41 120.20 81.01 3.36 15.63 37.17 17.18 27.17 10.28 5.01 0.02 1.81 1.36 10 G C C 47.59 4.33 12.17 17.83 109.66 -3.27 -63.27 -25.92 84.42 2.32 13.26 35.45 23.40 26.26 7.18 5.48 0.01 1.11 1.12 11 Q C C 120.56 4.09 11.60 17.12 103.27 46.82 -83.70 23.29 79.66 2.54 17.80 39.30 23.72 17.15 10.61 6.73 0.02 1.19 1.28 12 R C C 133.97 5.56 11.09 18.12 106.14 109.01 -83.16 61.21 72.07 3.28 24.66 45.77 16.29 9.95 15.99 8.84 0.02 1.79 1.35 13 K C C 126.62 4.10 12.90 18.22 104.07 54.60 -83.64 25.66 60.72 5.98 33.31 39.42 9.90 11.18 20.26 13.40 0.04 3.95 1.85 14 W C C 132.12 7.24 11.79 20.04 102.88 66.70 -82.98 -1.34 50.63 9.54 39.82 28.77 9.88 12.73 22.20 17.25 0.11 6.77 2.29 15 W C C 126.29 8.44 10.46 19.80 106.97 60.78 -87.11 79.19 50.18 11.67 38.15 31.13 9.04 10.22 23.26 15.07 0.09 8.44 2.73 16 K C C 134.97 3.75 12.14 17.34 106.88 75.01 -88.42 73.04 61.37 8.89 29.73 38.69 11.01 11.71 20.36 9.49 0.06 6.13 2.55 17 E C C 129.73 3.51 11.10 16.17 106.77 68.75 -86.58 90.18 76.36 4.73 18.90 34.91 19.34 22.65 13.51 5.14 0.04 2.81 1.59 18 G C C 48.81 3.59 11.89 16.90 117.24 -11.51 107.31 163.48 92.37 2.28 5.35 41.32 33.32 18.23 2.75 2.22 0.00 1.19 0.96 19 R C C 160.09 3.05 12.86 17.59 115.53 -65.07 -88.67 135.64 97.16 1.08 1.76 76.36 18.88 2.01 1.15 0.55 0.00 0.48 0.58 20 P C C 66.44 10.06 9.90 20.90 112.93 -107.64 -68.99 146.82 90.18 1.05 8.76 71.73 9.08 9.26 6.46 2.32 0.00 0.49 0.67 21 D C C 86.56 4.39 13.28 19.06 108.55 -123.72 -84.95 109.87 85.27 1.41 13.33 70.80 6.42 7.28 11.82 2.16 0.00 0.55 0.97 22 F H H 121.10 6.12 11.58 19.33 95.59 -165.00 -67.84 -27.22 28.31 0.47 71.22 15.41 5.19 9.50 66.31 3.14 0.02 0.20 0.23 23 G H H 44.18 2.34 14.49 17.18 93.68 56.95 -65.21 -40.62 16.09 0.23 83.68 6.60 2.96 7.59 79.63 2.97 0.03 0.11 0.11 24 R H H 128.34 2.83 15.25 18.55 93.38 49.74 -67.64 -39.07 7.56 0.16 92.28 3.42 1.38 3.33 89.15 2.57 0.01 0.09 0.05 25 A H H 37.84 6.77 12.92 21.63 93.25 51.98 -65.81 -40.69 4.97 0.09 94.95 2.43 0.82 2.02 93.17 1.50 0.00 0.05 0.03 26 A H H 53.62 3.57 15.48 19.98 92.59 51.07 -65.08 -40.42 3.53 0.04 96.43 1.59 0.52 1.44 95.65 0.76 0.00 0.02 0.01 27 A H H 59.35 2.25 16.44 18.56 92.27 50.86 -64.74 -40.78 2.47 0.02 97.51 0.98 0.32 1.08 97.11 0.50 0.00 0.01 0.01 28 R H H 122.05 3.43 16.04 20.14 92.42 50.16 -65.77 -40.45 2.24 0.02 97.74 0.83 0.26 1.03 97.45 0.41 0.00 0.01 0.00 29 R H H 114.41 5.07 15.58 21.75 92.20 50.95 -64.96 -40.45 1.88 0.01 98.10 0.67 0.20 0.85 97.95 0.32 0.00 0.01 0.00 30 M H H 93.61 2.78 16.62 19.67 91.91 50.69 -64.62 -40.96 1.46 0.01 98.53 0.48 0.16 0.65 98.47 0.24 0.00 0.00 0.00 31 Q H H 96.49 2.39 17.35 19.54 91.98 50.45 -64.53 -41.37 1.27 0.01 98.72 0.35 0.13 0.62 98.69 0.22 0.00 0.00 0.00 32 L H H 69.00 4.91 15.34 21.61 92.00 50.10 -65.09 -41.28 1.43 0.01 98.56 0.39 0.14 0.70 98.52 0.24 0.00 0.00 0.00 33 E H H 92.07 4.34 15.92 21.32 92.03 51.15 -64.39 -40.33 1.71 0.01 98.28 0.46 0.16 0.87 98.20 0.30 0.00 0.01 0.00 34 R H H 131.93 2.60 16.55 19.36 92.07 50.91 -64.67 -40.29 2.43 0.01 97.55 0.59 0.24 1.36 97.30 0.49 0.00 0.01 0.00 35 R H H 127.37 2.97 16.23 19.67 92.27 50.61 -65.24 -39.99 4.02 0.03 95.95 1.02 0.43 2.31 95.37 0.84 0.00 0.02 0.01 36 R H H 118.89 5.02 15.39 21.34 92.69 51.04 -66.17 -39.15 6.48 0.06 93.45 2.03 0.87 3.46 92.21 1.36 0.01 0.03 0.02 37 L H H 83.46 4.46 14.70 20.41 93.16 51.28 -66.74 -38.30 10.75 0.13 89.13 3.94 1.57 5.27 87.13 1.97 0.01 0.06 0.05 38 E H H 117.86 2.82 15.58 18.95 93.85 52.37 -68.40 -33.52 19.05 0.19 80.76 7.12 2.85 9.26 78.10 2.47 0.02 0.09 0.09 39 A H H 59.43 5.92 12.84 20.09 95.30 57.79 -73.24 -22.87 32.36 0.35 67.29 11.83 5.54 15.86 62.75 3.64 0.03 0.15 0.19 40 S C H 64.14 6.66 12.01 19.87 101.53 66.70 -82.11 -4.18 56.58 0.63 42.79 22.63 10.08 24.80 37.72 4.12 0.02 0.24 0.38 41 T C C 100.85 2.74 13.26 17.05 100.65 68.64 -87.01 -1.47 77.45 0.98 21.57 34.34 16.26 27.14 17.28 3.96 0.01 0.38 0.63 42 H C C 113.62 5.56 11.37 18.78 117.03 91.68 -100.98 132.53 97.32 1.10 1.58 48.53 46.26 2.56 1.04 0.45 0.00 0.32 0.84 43 P C C 87.69 4.89 12.87 19.46 115.73 -111.60 -69.95 150.40 99.20 0.48 0.32 79.74 18.45 1.02 0.13 0.15 0.00 0.19 0.33 44 P C C 80.91 7.18 12.22 20.83 114.34 -100.44 -68.25 148.98 97.12 0.46 2.43 79.53 11.68 5.75 0.53 1.99 0.00 0.22 0.30 45 P C C 85.32 7.55 12.71 21.51 107.98 -103.41 -70.21 135.74 94.61 0.99 4.40 62.30 17.88 14.09 0.84 3.82 0.00 0.47 0.61 46 V C C 87.77 7.49 14.43 22.92 111.06 -139.54 -95.67 115.56 91.81 2.69 5.49 52.09 28.89 10.80 1.33 3.94 0.00 1.12 1.82 47 D C C 83.33 8.98 16.83 26.53 113.72 -117.92 -95.59 122.15 97.37 1.41 1.22 62.71 33.24 1.60 0.63 0.47 0.00 0.57 0.77 48 P C C 30.47 18.65 13.41 31.65 114.64 -120.20 -69.94 146.48 95.76 1.32 2.92 85.96 7.34 2.51 2.07 0.74 0.00 0.56 0.83 49 T C C 60.04 5.78 22.81 28.52 121.34 -126.54 -83.41 162.11 90.07 3.06 6.87 82.85 4.98 1.42 6.76 0.63 0.00 0.78 2.58 50 A H H 40.52 16.88 15.68 31.97 91.89 -109.15 -59.33 -38.57 3.04 0.01 96.95 0.91 0.60 1.36 96.68 0.45 0.00 0.00 0.00 51 Q H H 105.57 5.51 21.99 28.19 91.53 53.32 -63.42 -40.61 1.24 0.01 98.75 0.29 0.13 0.67 98.54 0.36 0.00 0.00 0.00 52 Q H H 62.31 11.28 22.20 33.37 92.02 48.99 -66.03 -40.29 0.63 0.00 99.36 0.18 0.05 0.31 99.13 0.32 0.00 0.00 0.00 53 A H H 3.41 23.85 19.30 43.12 91.47 50.97 -63.46 -43.56 0.35 0.00 99.65 0.08 0.02 0.16 99.65 0.08 0.00 0.00 0.00 54 C H H 20.03 16.76 22.86 39.37 91.46 50.39 -63.08 -42.12 0.21 0.00 99.79 0.04 0.01 0.11 99.82 0.03 0.00 0.00 0.00 55 V H H 58.60 6.37 26.74 33.82 91.42 50.69 -63.70 -42.14 0.15 0.00 99.85 0.02 0.00 0.09 99.87 0.02 0.00 0.00 0.00 56 L H H 9.30 20.18 22.99 43.07 91.45 50.37 -63.08 -43.78 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 57 Y H H 8.00 24.58 23.16 47.00 91.35 50.34 -62.95 -42.92 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 58 R H H 82.41 12.53 25.72 37.83 91.44 51.18 -63.45 -41.95 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 59 R H H 92.22 8.73 27.02 36.25 91.67 49.67 -64.67 -41.25 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 60 L H H 4.96 23.61 21.82 45.21 91.33 50.14 -64.09 -43.39 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 61 L H H 17.15 20.55 22.67 42.30 91.44 50.15 -63.34 -42.50 0.42 0.00 99.58 0.04 0.02 0.30 99.55 0.10 0.00 0.00 0.00 62 K H H 96.73 5.61 26.47 32.45 91.88 49.83 -64.84 -41.38 2.69 0.00 97.31 0.21 0.15 2.15 97.12 0.36 0.00 0.00 0.00 63 A H H 20.58 10.96 21.92 34.01 91.82 50.14 -65.43 -39.02 8.79 0.03 91.17 1.16 0.95 6.54 90.15 1.15 0.02 0.01 0.02 64 G H H 4.72 20.21 15.80 36.12 92.91 54.64 -64.21 -39.39 18.42 0.12 81.46 4.89 2.48 11.50 78.08 2.89 0.03 0.05 0.08 65 H H H 87.20 11.58 18.39 29.83 93.15 52.36 -67.86 -35.31 21.08 0.17 78.76 4.80 3.21 13.64 73.15 4.94 0.08 0.07 0.12 66 Q H H 122.57 2.60 19.66 22.14 95.77 46.75 -75.51 -33.39 30.90 0.14 68.96 2.84 4.12 24.04 63.13 5.61 0.10 0.05 0.11 67 Q H H 97.38 6.46 17.20 24.43 101.14 32.15 -94.88 -24.16 45.74 0.26 54.01 6.17 6.76 33.07 48.55 5.08 0.08 0.09 0.20 68 L C C 39.48 17.22 10.50 26.66 106.01 64.28 -94.03 56.85 76.12 1.08 22.81 46.07 15.86 14.52 16.57 5.68 0.00 0.37 0.93 69 L C C 109.49 4.62 16.18 21.95 101.58 -144.44 -75.70 5.45 86.23 0.87 12.89 60.01 11.52 14.50 8.03 4.90 0.00 0.40 0.64 70 V C C 78.86 8.14 13.24 22.38 104.62 80.26 -86.38 -4.75 84.14 1.17 14.69 37.71 24.11 23.04 7.17 6.58 0.01 0.42 0.97 71 T C S 79.57 6.78 13.97 21.65 105.95 38.80 -96.07 -15.07 89.69 0.66 9.66 21.15 45.05 24.32 4.44 4.24 0.00 0.25 0.54 72 D C C 73.77 6.03 16.63 23.53 110.65 15.20 -102.63 99.71 90.60 1.19 8.21 64.32 17.11 9.03 5.02 3.01 0.00 0.38 1.13 73 K H H 80.03 15.41 12.97 27.78 94.44 -161.88 -63.77 -35.33 4.79 0.01 95.20 1.81 0.73 2.07 94.70 0.68 0.00 0.00 0.01 74 S H H 69.08 3.40 19.65 23.43 92.31 56.08 -64.68 -39.62 1.87 0.00 98.13 0.26 0.15 1.23 97.79 0.57 0.00 0.00 0.00 75 Y H H 87.53 5.48 20.23 26.47 91.92 50.02 -64.89 -41.92 0.64 0.00 99.36 0.10 0.04 0.40 98.91 0.54 0.00 0.00 0.00 76 Y H H 13.93 19.85 16.58 36.83 91.68 49.94 -63.92 -43.29 0.23 0.00 99.77 0.04 0.01 0.13 99.70 0.12 0.00 0.00 0.00 77 A H H 19.42 16.09 19.31 35.49 91.56 51.06 -62.70 -42.37 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 78 R H H 126.98 2.92 24.97 27.14 91.63 50.30 -64.04 -41.42 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 79 K H H 67.73 9.39 22.81 32.62 91.78 49.70 -64.72 -41.91 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 80 V H H 3.17 24.81 17.48 42.64 91.43 49.04 -63.68 -43.55 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 81 R H H 83.45 13.26 21.90 34.56 91.22 51.05 -62.24 -42.55 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 82 H H H 107.99 2.18 25.46 25.89 91.55 49.47 -64.06 -42.00 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 83 E H H 34.87 12.99 20.38 34.09 91.81 49.59 -64.38 -42.15 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 84 F H H 6.34 24.53 14.76 39.42 91.50 49.88 -64.42 -41.66 0.30 0.00 99.70 0.02 0.01 0.22 99.61 0.14 0.00 0.00 0.00 85 E H H 104.58 5.68 21.18 27.57 91.35 50.95 -63.89 -39.94 1.07 0.00 98.93 0.06 0.05 0.87 98.41 0.61 0.00 0.00 0.00 86 V H H 94.11 2.57 22.11 23.71 91.83 50.13 -67.74 -34.44 6.70 0.00 93.30 0.11 0.21 6.61 92.06 0.99 0.00 0.00 0.00 87 T H H 19.01 17.41 13.50 31.45 98.52 41.97 -101.08 2.05 35.90 0.04 64.06 2.12 1.61 31.31 62.01 2.90 0.01 0.01 0.03 88 A C T 42.43 15.35 13.68 28.96 92.20 104.27 -61.34 -28.98 88.96 0.14 10.91 4.71 3.42 81.47 7.02 3.18 0.00 0.06 0.13 89 R C T 180.64 1.11 20.10 19.65 93.89 54.00 -89.39 -0.64 94.26 0.10 5.64 4.82 4.97 84.80 2.23 3.06 0.00 0.05 0.07 90 Q C C 44.32 15.91 9.17 25.11 110.91 116.24 -73.95 123.16 98.64 0.26 1.10 94.21 3.50 1.08 0.55 0.33 0.00 0.08 0.25 91 T C C 105.85 2.47 16.57 20.10 101.28 174.65 -107.00 -8.30 99.46 0.19 0.36 87.21 11.39 0.82 0.22 0.10 0.00 0.05 0.21 92 S C S 55.65 4.04 15.71 21.12 115.05 97.04 -82.09 133.04 98.55 0.44 1.01 28.57 69.36 0.53 0.95 0.09 0.00 0.07 0.43 93 A H H 61.96 8.65 12.61 22.71 92.11 -135.88 -59.51 -37.40 4.91 0.01 95.08 0.52 0.92 3.38 93.92 1.24 0.00 0.00 0.01 94 R H H 161.82 1.64 18.38 19.65 91.50 54.52 -64.14 -39.91 3.51 0.01 96.48 0.37 0.38 2.64 95.22 1.38 0.00 0.00 0.00 95 V H H 53.81 8.19 17.25 26.74 92.36 47.37 -66.27 -40.01 1.62 0.01 98.37 0.39 0.17 0.97 97.27 1.18 0.00 0.01 0.00 96 R H H 37.74 18.44 15.30 33.49 91.46 52.34 -61.99 -43.11 0.31 0.00 99.69 0.06 0.02 0.17 99.57 0.18 0.00 0.00 0.00 97 G H H 23.21 8.17 21.21 30.32 91.60 51.40 -62.67 -42.13 0.29 0.00 99.71 0.03 0.01 0.19 99.65 0.12 0.00 0.00 0.00 98 I H H 73.89 4.09 24.39 28.30 91.56 50.36 -63.92 -42.25 0.15 0.00 99.85 0.01 0.01 0.10 99.78 0.09 0.00 0.00 0.00 99 M H H 18.94 17.98 20.51 38.48 91.65 50.08 -63.35 -43.39 0.10 0.00 99.90 0.01 0.00 0.07 99.85 0.06 0.00 0.00 0.00 100 Y H H 24.05 20.85 20.79 40.86 91.41 49.69 -63.56 -42.19 0.19 0.00 99.81 0.02 0.01 0.13 99.80 0.05 0.00 0.00 0.00 101 E H H 99.70 4.61 26.05 30.72 91.67 50.31 -63.93 -42.14 0.16 0.00 99.84 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 102 R H H 96.48 6.93 25.56 32.88 91.49 49.21 -64.46 -41.67 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 103 G H H 1.83 23.63 17.81 42.00 91.05 51.06 -62.90 -43.05 0.15 0.00 99.85 0.01 0.00 0.10 99.85 0.04 0.00 0.00 0.00 104 Q H H 55.63 14.65 22.66 36.51 91.40 51.34 -62.65 -42.44 0.14 0.00 99.86 0.01 0.00 0.09 99.84 0.05 0.00 0.00 0.00 105 W H H 130.48 2.99 25.60 27.67 91.64 49.81 -64.02 -42.66 0.18 0.00 99.82 0.01 0.01 0.13 99.78 0.07 0.00 0.00 0.00 106 L H H 28.64 12.71 20.62 34.28 91.64 49.41 -64.12 -42.75 0.69 0.00 99.31 0.06 0.03 0.52 99.20 0.19 0.00 0.00 0.00 107 V H H 6.03 23.36 15.90 39.48 91.56 48.84 -64.09 -42.59 2.79 0.02 97.19 0.36 0.24 2.07 96.62 0.69 0.01 0.01 0.01 108 E H H 91.03 8.94 19.21 28.48 92.58 49.17 -65.52 -39.70 7.84 0.07 92.10 0.92 0.70 6.18 91.00 1.11 0.03 0.03 0.03 109 N H H 102.09 2.70 19.98 22.43 95.28 44.77 -75.03 -34.54 21.23 0.17 78.60 1.80 2.10 17.70 76.22 1.92 0.09 0.07 0.10 110 K H H 85.43 11.25 16.87 28.18 98.41 41.60 -85.94 -23.77 45.28 0.58 54.14 4.15 6.09 34.78 50.79 3.39 0.18 0.25 0.37 111 L C T 40.25 17.40 13.70 30.33 98.73 40.49 -91.79 3.34 67.49 1.85 30.65 7.50 11.76 46.52 24.93 6.93 0.19 0.84 1.32 112 G C T 45.00 5.89 17.37 24.16 98.38 -95.37 76.16 10.64 82.14 1.27 16.59 12.15 12.24 57.47 9.30 7.41 0.02 0.68 0.73 113 G C T 38.43 9.78 15.41 25.52 101.46 -73.44 73.77 8.02 85.26 3.16 11.57 30.93 15.79 39.73 4.93 5.67 0.01 1.87 1.08 114 I C C 73.02 10.72 13.89 25.54 108.86 131.79 -89.58 104.24 79.92 14.45 5.63 68.45 3.57 7.02 3.64 1.81 0.00 8.81 6.70 115 V C C 68.03 12.13 15.73 27.92 112.79 -154.21 -95.92 118.47 99.31 0.68 0.01 99.38 0.10 0.02 0.01 0.00 0.00 0.45 0.04