# 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 T C C 82.20 5.92 14.85 22.22 121.50 -171.74 -114.83 139.44 99.60 0.35 0.05 99.59 0.10 0.05 0.02 0.00 0.00 0.19 0.04 1 W C C 125.91 9.53 10.02 20.40 115.04 -158.09 -100.39 129.40 75.23 8.88 15.89 67.07 2.03 6.10 12.61 3.10 0.00 6.80 2.29 2 E C C 135.56 2.86 12.96 17.27 114.36 -155.81 -95.77 123.46 68.75 12.58 18.67 47.75 11.86 8.30 15.23 4.40 0.04 10.00 2.41 3 L C C 65.78 11.17 9.78 21.74 116.40 -156.16 -96.47 133.60 70.49 10.12 19.39 53.44 11.18 4.96 16.72 3.81 0.02 8.15 1.73 4 S C C 48.58 5.12 15.83 22.15 118.36 -143.17 -88.12 154.07 74.64 8.22 17.15 65.11 5.31 3.33 15.74 2.56 0.00 5.97 1.98 5 L H H 74.92 10.79 12.32 23.90 94.00 -113.11 -62.22 -34.78 23.28 2.63 74.08 10.05 4.57 9.39 56.65 16.52 0.15 2.15 0.51 6 Y H H 126.68 5.16 14.49 20.85 93.54 56.32 -68.03 -32.99 21.34 3.00 75.66 7.65 3.82 10.01 57.07 18.13 0.18 2.64 0.49 7 E H H 97.63 5.74 15.10 21.96 94.26 54.62 -73.41 -26.15 21.13 3.93 74.95 9.51 3.81 8.21 56.10 18.23 0.12 3.41 0.60 8 L H H 51.05 13.91 11.59 25.60 97.19 69.20 -75.71 -17.10 31.97 4.89 63.14 16.70 6.84 10.73 51.67 9.10 0.15 3.62 1.19 9 Q C H 105.11 6.68 15.27 22.87 101.99 63.99 -86.99 10.35 57.78 6.30 35.92 28.47 10.78 19.24 30.53 5.01 0.10 4.01 1.85 10 R C C 119.05 7.41 13.97 22.58 111.26 104.65 -90.33 120.94 79.47 4.90 15.62 46.55 22.73 9.49 13.84 2.76 0.02 2.68 1.93 11 T C C 64.05 7.41 14.60 23.30 116.54 -122.37 -88.26 139.79 93.32 1.56 5.12 77.22 13.57 2.24 4.51 0.97 0.00 0.84 0.66 12 P C C 65.05 10.43 12.53 23.82 100.10 -112.12 -64.40 -19.18 60.82 1.67 37.51 38.95 7.14 14.06 28.46 9.74 0.01 1.12 0.52 13 Q H H 107.62 6.10 14.99 22.11 98.45 65.38 -74.71 -23.23 48.07 3.79 48.14 24.93 9.04 14.54 35.15 12.63 0.07 2.70 0.93 14 E H H 103.45 5.52 15.76 22.17 100.74 63.32 -77.33 -21.27 39.03 9.57 51.40 23.91 7.75 8.30 37.59 13.15 0.10 7.76 1.45 15 A H H 39.47 10.74 13.74 25.44 101.61 65.76 -76.70 -16.44 34.96 17.32 47.72 23.41 5.58 6.57 37.14 10.02 0.08 15.41 1.79 16 I H H 63.18 12.42 12.19 24.90 106.56 57.30 -89.91 61.21 31.01 27.01 41.98 19.85 5.08 6.38 34.79 6.97 0.13 24.24 2.56 17 T C H 79.60 6.18 13.43 20.82 107.37 81.94 -92.95 49.71 39.22 23.27 37.50 21.79 6.67 10.84 32.01 5.59 0.22 20.24 2.65 18 D C T 105.75 3.16 13.72 17.94 100.50 37.62 -87.83 16.11 71.11 5.72 23.17 18.55 12.76 38.60 19.53 4.94 0.13 4.26 1.24 19 G C T 50.53 4.50 13.13 19.02 101.09 -89.43 82.98 5.01 86.98 3.77 9.24 25.48 18.99 43.23 5.16 3.58 0.01 2.75 0.80 20 L C C 77.69 9.39 11.34 21.89 115.03 132.21 -91.86 134.18 67.95 20.06 11.99 45.61 13.45 8.33 7.63 4.56 0.03 18.11 2.28 21 E C E 124.77 4.49 15.99 21.93 115.83 -144.89 -96.36 130.08 45.93 38.68 15.39 29.76 9.99 6.97 10.07 5.35 0.10 35.40 2.37 22 I E E 56.16 15.57 11.83 27.12 117.02 -158.28 -102.31 128.06 37.79 46.77 15.44 27.40 6.21 4.35 11.37 4.56 0.05 43.70 2.37 23 V E E 81.06 6.95 17.58 25.59 115.08 -157.14 -101.52 123.51 43.64 44.91 11.45 32.04 6.96 4.17 8.78 3.29 0.03 42.17 2.54 24 V C C 48.38 15.13 12.97 28.05 118.08 -168.92 -107.43 129.31 65.88 28.64 5.47 46.98 15.06 3.36 4.29 1.80 0.03 25.32 3.15 25 S C C 46.53 5.47 18.30 24.58 122.62 -144.97 -96.46 151.69 94.25 3.87 1.88 80.22 12.85 1.23 1.62 0.45 0.00 2.84 0.78 26 P H H 70.64 10.92 12.95 24.56 92.45 -109.85 -58.93 -34.51 36.56 1.00 62.44 8.10 5.17 21.40 40.98 23.26 0.09 0.67 0.34 27 R H H 153.47 3.01 16.86 20.63 92.70 55.38 -67.74 -31.83 33.40 1.22 65.38 6.25 4.70 20.18 41.89 25.53 0.22 0.80 0.44 28 S H H 40.28 8.49 15.58 25.46 94.28 51.41 -75.22 -30.47 29.98 2.91 67.12 12.24 5.81 11.77 40.56 26.78 0.15 1.88 0.80 29 L H H 33.02 17.28 13.97 30.79 94.73 62.05 -69.05 -35.10 35.08 3.43 61.49 19.12 7.48 10.33 47.00 12.69 0.12 2.22 1.04 30 H H H 81.46 12.22 17.49 29.48 95.93 57.22 -71.43 -29.41 38.46 3.28 58.26 20.37 7.06 12.52 43.67 13.11 0.11 2.17 0.99 31 S H H 59.23 7.63 19.03 27.13 95.23 56.71 -71.72 -30.12 32.38 2.25 65.37 11.77 6.47 13.75 42.00 23.71 0.19 1.40 0.71 32 E H H 91.19 10.44 20.40 30.56 97.88 45.29 -81.99 -25.32 37.02 3.04 59.94 9.63 6.92 19.18 38.43 22.50 0.36 2.02 0.96 33 L C H 23.83 20.61 18.66 38.15 99.40 48.76 -95.06 -3.97 45.70 9.17 45.13 15.33 9.34 21.36 26.26 18.46 0.59 6.22 2.45 34 M C C 40.01 18.13 21.10 38.40 117.17 107.00 -85.94 141.86 52.22 36.83 10.94 33.02 14.59 3.78 8.54 2.22 0.24 10.05 27.56 35 C C C 10.06 21.56 17.62 39.07 112.00 -114.93 -75.41 134.72 92.77 4.37 2.86 81.98 9.29 1.25 2.93 0.46 0.00 2.22 1.87 36 P H H 62.49 8.15 22.82 32.05 92.63 -126.57 -61.11 -32.36 46.33 0.59 53.09 2.61 5.50 38.65 47.93 4.43 0.26 0.31 0.30 37 I H H 40.01 15.33 21.46 36.25 92.96 51.74 -69.22 -38.41 45.55 0.76 53.69 1.32 3.44 41.34 47.86 4.72 0.52 0.44 0.36 38 C H H 6.28 22.95 18.20 40.86 98.27 37.54 -88.00 -27.62 35.95 1.93 62.12 4.43 3.36 28.54 54.21 6.93 0.59 1.25 0.68 39 L H H 37.74 16.31 18.66 34.60 92.68 64.65 -61.61 -42.58 5.40 0.59 94.01 2.20 0.88 2.83 89.02 4.43 0.05 0.48 0.11 40 D H H 81.69 3.83 23.42 26.95 92.07 50.98 -65.65 -38.60 4.32 0.63 95.05 1.33 0.64 2.73 89.64 4.93 0.06 0.58 0.09 41 M H H 33.81 14.26 18.17 32.97 92.44 50.96 -66.33 -39.27 4.19 0.55 95.26 1.25 0.61 2.65 89.74 5.12 0.05 0.50 0.07 42 L H H 18.72 21.11 14.65 35.16 92.92 53.05 -67.87 -33.19 8.68 0.71 90.61 2.71 1.29 5.25 85.97 4.03 0.06 0.54 0.16 43 K H H 121.14 6.10 19.09 26.03 93.53 54.98 -71.19 -27.07 27.37 0.60 72.04 4.13 2.99 20.52 68.91 2.77 0.10 0.32 0.24 44 N C H 93.89 4.87 17.96 23.41 101.49 48.00 -90.92 0.58 57.58 0.77 41.65 9.47 9.92 37.53 39.68 2.60 0.07 0.32 0.40 45 T C T 61.60 12.13 15.90 27.82 102.60 52.60 -85.84 0.05 77.40 3.40 19.20 27.83 18.63 31.45 15.36 3.62 0.07 1.69 1.35 46 M C C 76.10 12.51 16.87 29.23 102.08 84.16 -83.83 16.66 79.84 9.28 10.88 47.43 18.19 14.39 7.63 3.41 0.05 5.60 3.29 47 T C C 45.62 14.71 16.05 30.43 108.02 98.70 -93.80 70.23 80.79 11.01 8.20 56.91 16.19 7.19 5.98 2.76 0.01 6.78 4.18 48 T C C 49.75 9.96 19.25 29.54 113.73 76.50 -84.02 160.38 84.08 6.50 9.42 63.12 17.99 2.54 9.21 1.26 0.00 3.09 2.79 49 K H H 103.08 11.42 17.22 28.65 93.69 -107.34 -61.87 -37.65 7.95 0.11 91.94 2.29 2.12 3.79 90.77 0.93 0.01 0.04 0.04 50 E H H 102.04 4.75 22.30 27.20 92.58 52.39 -65.22 -40.47 4.59 0.06 95.35 1.11 0.67 2.78 94.45 0.93 0.01 0.03 0.02 51 C H H 15.53 15.76 19.01 35.43 91.98 49.49 -65.35 -41.68 2.75 0.06 97.19 0.91 0.37 1.51 96.13 1.03 0.01 0.03 0.02 52 L H H 10.96 22.04 18.84 40.50 91.58 51.53 -63.23 -43.22 1.12 0.02 98.85 0.39 0.13 0.54 98.49 0.42 0.00 0.01 0.00 53 H H H 68.12 13.08 23.02 35.57 91.68 50.78 -63.99 -41.72 1.10 0.03 98.87 0.29 0.11 0.64 98.64 0.30 0.00 0.02 0.01 54 R H H 101.84 7.68 25.96 33.88 92.01 48.57 -65.34 -41.42 1.49 0.04 98.47 0.28 0.14 0.99 98.25 0.29 0.00 0.02 0.01 55 F H H 16.23 19.87 22.82 42.17 92.32 47.19 -66.59 -43.19 2.72 0.11 97.17 0.50 0.32 1.78 97.00 0.30 0.01 0.05 0.03 56 C H H 3.80 24.49 21.84 45.82 91.72 49.20 -64.90 -42.97 4.86 0.10 95.04 1.08 0.56 3.04 94.75 0.47 0.01 0.05 0.04 57 A H H 30.56 14.03 24.62 38.21 91.83 50.17 -64.60 -42.55 5.15 0.06 94.79 0.64 0.54 3.84 94.36 0.56 0.02 0.03 0.02 58 D H H 67.32 8.04 27.21 35.76 93.48 43.25 -69.19 -40.43 9.51 0.07 90.42 0.69 0.83 8.14 89.58 0.67 0.04 0.03 0.03 59 C H H 7.72 20.57 23.00 43.06 95.81 43.49 -73.57 -43.66 14.93 0.17 84.91 1.30 1.58 12.24 83.82 0.82 0.09 0.07 0.09 60 L H H 4.91 24.41 22.96 46.70 91.81 48.13 -64.50 -44.00 4.34 0.23 95.43 1.05 0.67 2.82 94.49 0.73 0.04 0.12 0.08 61 I H H 39.60 12.60 24.98 37.91 91.60 48.95 -63.88 -43.28 2.17 0.20 97.62 0.85 0.33 1.11 96.85 0.66 0.01 0.14 0.03 62 T H H 39.59 7.71 24.81 33.37 91.56 48.91 -64.04 -42.32 1.84 0.16 98.00 0.68 0.26 0.98 97.18 0.75 0.01 0.12 0.02 63 A H H 6.27 18.19 17.97 37.13 91.28 50.38 -63.86 -42.60 1.89 0.10 98.01 0.56 0.24 1.10 97.18 0.84 0.01 0.07 0.02 64 L H H 41.00 16.58 18.02 34.01 92.51 49.73 -65.18 -40.84 3.16 0.08 96.76 0.67 0.33 2.15 95.82 0.96 0.01 0.05 0.02 65 R H H 149.19 3.93 19.80 24.60 92.25 49.75 -67.62 -33.96 9.23 0.08 90.69 0.82 0.81 7.56 89.85 0.86 0.03 0.03 0.04 66 S H H 61.81 5.37 16.85 23.09 95.06 46.24 -86.15 -9.34 49.07 0.22 50.71 2.71 5.20 39.32 51.28 1.22 0.06 0.07 0.14 67 G C T 44.51 6.93 15.61 23.81 97.23 -114.08 79.56 11.64 96.86 0.21 2.93 23.27 9.30 64.65 1.59 0.98 0.00 0.10 0.10 68 N C C 59.01 11.67 13.40 25.87 108.80 149.94 -84.81 107.89 94.48 0.91 4.61 83.02 6.04 5.08 1.20 3.56 0.00 0.38 0.72 69 K C T 127.97 7.66 16.75 25.68 97.36 -165.40 -87.82 -9.28 93.94 0.54 5.52 23.49 28.93 41.34 1.02 4.65 0.00 0.27 0.29 70 E C T 119.26 4.69 20.82 26.10 106.66 73.24 -93.55 78.48 90.86 1.95 7.19 25.93 26.21 39.01 1.57 5.34 0.00 0.86 1.08 71 C C C 14.43 20.80 11.08 31.17 110.01 108.79 -91.84 113.21 95.47 1.19 3.34 70.91 22.80 1.62 2.32 0.92 0.00 0.35 1.07 72 P C T 71.09 5.64 20.08 26.61 93.84 -151.80 -64.03 -28.42 54.74 0.36 44.89 13.37 8.78 32.07 31.30 14.03 0.02 0.17 0.26 73 T H H 49.87 9.53 19.16 29.43 93.80 53.35 -69.32 -33.41 46.74 1.72 51.54 8.00 7.56 29.64 35.68 17.02 0.33 0.96 0.80 74 C H H 12.27 20.90 14.19 34.67 94.54 56.06 -69.10 -31.83 39.57 3.08 57.35 17.62 7.95 14.36 37.40 19.56 0.14 1.85 1.13 75 R H H 106.09 12.12 18.22 29.97 94.33 59.86 -68.18 -27.93 37.50 3.08 59.42 21.51 6.78 10.12 42.95 15.63 0.06 1.97 0.97 76 K H H 118.23 5.54 19.04 25.32 95.50 61.74 -71.32 -32.45 35.53 2.90 61.57 15.05 7.78 13.62 45.24 15.30 0.19 1.94 0.89 77 K H H 106.89 8.21 19.56 28.03 99.00 47.72 -77.29 -27.21 37.05 3.43 59.53 15.73 7.40 14.88 44.16 14.27 0.21 2.30 1.06 78 L H H 31.99 18.83 15.70 33.45 99.44 54.50 -82.73 -24.17 44.78 5.19 50.02 21.58 10.11 15.06 37.86 10.20 0.25 3.04 1.89 79 V C C 40.60 15.39 15.46 30.78 106.30 61.34 -94.05 11.43 61.85 6.54 31.61 33.27 16.98 12.59 25.92 5.13 0.15 3.08 2.89 80 S C C 49.06 5.99 19.02 25.57 119.06 87.36 -104.98 161.06 81.10 4.19 14.71 52.79 20.20 7.78 11.66 3.43 0.01 1.74 2.38 81 K C T 116.49 9.62 14.13 24.28 95.34 -101.38 -65.26 -28.64 54.63 1.15 44.22 9.12 11.60 33.05 20.94 23.78 0.14 0.55 0.83 82 R C T 154.37 3.58 16.75 21.31 94.43 59.69 -71.64 -24.29 56.12 0.77 43.11 6.88 9.01 38.40 18.20 26.43 0.08 0.40 0.59 83 S C T 48.75 10.01 15.69 26.38 98.23 53.39 -86.47 -8.69 57.21 2.15 40.64 15.28 11.58 30.68 15.01 25.00 0.09 1.09 1.26 84 L C C 35.89 19.83 11.72 30.37 109.15 90.33 -87.64 112.02 77.36 7.98 14.66 47.51 21.03 8.38 7.53 6.83 0.04 3.06 5.63 85 R C C 134.78 4.86 20.50 26.38 119.07 -173.15 -102.91 134.76 93.07 6.01 0.92 67.17 24.46 1.36 0.41 0.53 0.00 2.89 3.18 86 P C C 69.84 12.15 15.10 27.44 114.33 -106.43 -66.46 145.48 94.35 5.04 0.62 84.35 8.13 1.03 0.25 0.34 0.00 1.81 4.10 87 D C C 47.26 13.73 12.95 27.18 109.91 -123.51 -91.37 116.22 99.49 0.32 0.19 97.24 2.02 0.23 0.09 0.04 0.00 0.08 0.29 88 P C T 96.21 4.42 15.39 21.47 93.00 -151.80 -64.87 -21.27 97.03 0.07 2.90 2.44 4.27 90.73 1.66 0.81 0.00 0.03 0.06 89 N C T 90.09 5.40 17.29 23.59 97.46 53.62 -91.64 11.37 95.90 0.07 4.03 5.01 3.32 87.97 2.61 1.01 0.00 0.03 0.05 90 F H H 20.11 22.18 11.57 33.01 92.94 116.85 -60.96 -41.39 2.22 0.00 97.77 0.84 0.29 0.98 97.11 0.77 0.00 0.00 0.00 91 D H H 85.65 7.30 18.33 26.68 91.61 55.29 -62.99 -39.76 0.52 0.00 99.48 0.08 0.03 0.31 99.10 0.47 0.00 0.00 0.00 92 A H H 56.93 2.60 20.31 22.19 91.87 51.65 -65.00 -40.76 0.18 0.00 99.82 0.02 0.01 0.12 99.40 0.45 0.00 0.00 0.00 93 L H H 20.39 15.89 16.58 33.11 91.89 50.24 -64.90 -42.81 0.15 0.00 99.85 0.01 0.01 0.10 99.61 0.27 0.00 0.00 0.00 94 I H H 15.59 20.98 14.59 35.29 92.00 49.59 -64.58 -41.58 0.28 0.00 99.72 0.02 0.01 0.21 99.49 0.26 0.00 0.00 0.00 95 S H H 64.67 4.47 18.19 23.50 91.46 54.41 -64.99 -32.89 2.20 0.00 97.80 0.08 0.07 2.06 97.11 0.68 0.00 0.00 0.00 96 K H H 129.69 3.06 19.19 22.51 93.63 52.22 -71.80 -32.47 10.34 0.00 89.65 0.17 0.29 10.40 88.37 0.76 0.01 0.00 0.00 97 I H H 33.10 17.57 14.80 31.86 99.26 39.05 -87.03 -34.52 19.09 0.04 80.87 0.56 1.54 16.93 80.31 0.59 0.03 0.01 0.03 98 Y C S 58.65 15.78 12.11 27.60 112.06 37.19 -120.02 88.81 96.32 1.44 2.24 21.64 72.17 2.17 2.35 0.25 0.00 0.38 1.03 99 P C C 81.40 5.55 13.21 20.52 109.91 -160.10 -69.89 140.47 97.37 1.69 0.94 93.29 1.05 3.38 0.35 0.31 0.00 0.75 0.87 100 S C C 83.95 3.80 13.76 19.26 107.20 -119.64 -81.31 57.65 99.83 0.14 0.03 99.53 0.22 0.13 0.01 0.00 0.00 0.07 0.03