# 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 G C C 33.77 9.21 16.12 25.87 112.95 150.30 -17.85 -168.19 99.92 0.02 0.06 99.81 0.07 0.07 0.04 0.00 0.00 0.01 0.00 1 G H H 39.39 5.77 16.84 23.15 100.38 45.35 -50.21 -30.63 47.76 0.25 51.99 37.47 1.52 7.48 52.03 1.28 0.00 0.09 0.14 2 W H H 87.81 13.04 15.30 28.17 94.65 56.95 -67.63 -37.91 15.47 0.14 84.39 5.81 2.52 7.48 82.10 1.96 0.01 0.06 0.07 3 I H H 45.49 16.61 15.97 31.94 93.35 53.50 -66.32 -40.24 6.01 0.08 93.90 2.18 0.92 2.99 90.73 3.10 0.01 0.05 0.03 4 R H H 129.90 5.67 20.74 26.85 92.59 52.18 -65.64 -39.33 4.31 0.06 95.63 1.53 0.61 2.17 92.77 2.87 0.01 0.03 0.02 5 N H H 58.17 9.38 21.32 31.06 93.50 50.00 -67.80 -38.22 5.72 0.06 94.22 1.82 0.76 3.11 92.35 1.90 0.01 0.02 0.02 6 I H H 15.21 21.74 20.19 41.28 92.44 52.61 -64.50 -43.06 2.19 0.02 97.79 0.77 0.32 1.01 97.45 0.44 0.00 0.01 0.01 7 G H H 11.61 17.59 21.08 38.33 92.10 52.69 -62.73 -41.69 1.14 0.01 98.85 0.34 0.10 0.55 98.70 0.30 0.00 0.00 0.00 8 R H H 117.81 6.17 26.04 32.68 91.88 50.54 -65.60 -40.60 1.26 0.01 98.73 0.27 0.10 0.74 98.45 0.43 0.00 0.00 0.00 9 Y H H 31.55 18.07 23.69 41.08 91.95 50.34 -64.46 -43.20 1.38 0.01 98.61 0.24 0.11 0.86 98.30 0.48 0.00 0.00 0.00 10 L H H 8.67 24.67 22.62 46.85 91.76 49.92 -64.23 -41.33 1.77 0.01 98.22 0.38 0.18 1.04 97.61 0.78 0.00 0.00 0.00 11 S H H 29.91 13.86 23.46 37.10 91.73 54.02 -63.35 -39.40 3.29 0.03 96.69 0.64 0.28 2.20 93.84 3.01 0.01 0.01 0.01 12 Y H H 77.47 9.76 24.92 35.11 92.13 51.64 -65.85 -40.28 5.37 0.04 94.58 0.64 0.41 4.15 91.57 3.16 0.02 0.02 0.01 13 L H H 14.75 20.65 20.52 40.50 93.35 49.47 -69.54 -35.45 7.96 0.11 91.93 1.55 0.99 5.44 88.91 2.97 0.04 0.05 0.04 14 V H H 18.38 20.04 17.63 37.04 97.24 50.62 -80.19 -21.21 22.41 0.97 76.63 9.26 4.03 10.74 72.37 2.60 0.07 0.45 0.47 15 D H H 70.91 8.75 19.03 28.04 101.79 72.71 -78.17 14.53 35.62 0.80 63.57 12.91 6.30 17.83 59.11 3.00 0.07 0.36 0.41 16 D C H 85.11 6.88 17.06 24.56 99.36 37.75 -82.12 -7.71 50.13 0.48 49.39 10.61 11.18 29.01 45.10 3.56 0.07 0.19 0.29 17 T C H 60.79 8.63 15.56 25.08 103.11 55.10 -94.03 -0.76 61.59 0.81 37.60 20.90 12.55 28.78 33.30 3.64 0.05 0.31 0.47 18 F C C 57.97 16.01 11.33 26.62 100.65 100.76 -79.28 -9.30 63.21 1.67 35.12 30.85 15.06 18.76 26.16 7.45 0.05 0.68 0.99 19 E C H 122.30 4.72 16.26 22.03 96.85 68.28 -66.16 -32.29 52.21 0.91 46.88 16.05 11.88 24.44 26.83 19.73 0.06 0.42 0.60 20 E H H 125.21 3.32 17.32 21.14 97.34 45.52 -73.21 -27.10 48.17 0.93 50.90 12.64 10.67 24.22 28.98 22.39 0.09 0.45 0.57 21 Y C H 75.32 13.68 14.89 28.41 100.13 47.46 -86.29 -5.48 49.82 2.08 48.11 24.51 10.35 15.30 28.96 18.78 0.06 0.96 1.08 22 A C C 26.80 15.96 15.70 31.39 97.09 94.02 -73.59 -20.04 58.15 1.26 40.59 46.65 5.51 5.86 35.90 4.93 0.00 0.58 0.57 23 Y H H 100.02 10.90 18.43 29.34 94.68 77.38 -66.27 -36.36 20.13 0.27 79.60 14.29 2.93 3.24 77.78 1.54 0.00 0.11 0.10 24 D H H 83.59 4.42 23.33 27.82 92.62 54.37 -66.05 -38.99 5.33 0.06 94.61 2.69 0.83 1.93 93.34 1.15 0.00 0.03 0.02 25 V H H 14.58 19.85 18.93 38.33 92.75 50.44 -65.32 -42.99 2.11 0.04 97.85 0.72 0.29 1.10 96.92 0.93 0.00 0.03 0.01 26 V H H 13.57 21.60 19.39 40.34 92.14 49.70 -64.23 -42.70 1.36 0.03 98.61 0.38 0.17 0.75 97.94 0.73 0.00 0.02 0.00 27 D H H 70.99 5.23 24.92 30.23 91.57 50.63 -64.16 -40.50 2.14 0.02 97.84 0.46 0.23 1.36 96.64 1.29 0.01 0.01 0.01 28 G H H 18.38 10.31 22.02 33.26 92.01 50.94 -65.29 -39.75 4.78 0.02 95.20 0.47 0.35 3.77 92.55 2.82 0.01 0.01 0.01 29 I H H 4.60 25.50 16.81 42.36 91.79 51.04 -65.34 -39.17 4.20 0.01 95.79 0.35 0.34 3.36 90.08 5.85 0.01 0.01 0.01 30 A H H 42.68 14.01 20.75 34.39 90.63 58.20 -65.92 -27.17 19.11 0.03 80.86 0.74 1.04 17.36 76.36 4.43 0.03 0.01 0.02 31 K C T 133.46 2.79 23.53 26.34 94.81 51.18 -92.63 -3.49 57.93 0.07 41.99 2.42 2.64 51.65 39.26 3.93 0.01 0.03 0.07 32 A C C 10.84 22.03 9.65 31.26 114.60 118.01 -70.62 136.06 98.47 0.62 0.91 95.19 2.56 0.70 0.70 0.13 0.00 0.15 0.57 33 R C C 156.15 3.57 21.21 25.66 100.49 -173.34 -101.67 -14.02 99.35 0.44 0.21 71.60 27.19 0.54 0.12 0.06 0.00 0.10 0.39 34 T C S 60.92 4.02 23.26 27.08 135.80 28.81 -137.22 161.69 98.17 1.38 0.45 8.26 89.83 0.24 0.36 0.03 0.00 0.16 1.13 35 Q H H 55.26 18.23 14.11 31.78 91.12 -109.21 -59.21 -38.06 2.63 0.00 97.37 0.17 0.41 1.96 96.57 0.89 0.00 0.00 0.00 36 E H H 126.06 2.95 21.94 25.39 91.35 54.75 -62.87 -40.23 1.72 0.00 98.28 0.11 0.12 1.33 97.45 0.98 0.00 0.00 0.00 37 E H H 66.59 8.37 21.00 30.13 91.86 49.16 -66.20 -39.59 0.59 0.00 99.41 0.10 0.05 0.37 98.50 0.98 0.00 0.00 0.00 38 L H H 4.18 25.00 17.08 42.29 91.23 51.65 -63.08 -43.67 0.16 0.00 99.84 0.02 0.01 0.08 99.77 0.11 0.00 0.00 0.00 39 L H H 28.82 17.00 22.98 39.41 91.31 50.30 -63.79 -42.37 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 40 E H H 94.25 3.97 28.17 32.17 91.43 50.35 -63.84 -41.69 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 41 G H H 4.94 17.99 22.56 40.86 91.47 50.54 -63.66 -43.01 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 42 V H H 1.85 26.74 22.45 49.23 91.36 49.42 -63.80 -43.37 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 43 Y H H 76.44 12.09 26.38 38.47 91.50 50.54 -63.31 -42.50 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 44 K H H 88.06 6.11 28.12 35.01 91.57 49.66 -64.10 -41.59 0.26 0.00 99.74 0.01 0.01 0.20 99.73 0.06 0.00 0.00 0.00 45 A H H 2.74 24.08 20.42 44.58 91.32 50.60 -63.92 -42.21 0.51 0.00 99.49 0.02 0.01 0.40 99.35 0.21 0.00 0.00 0.00 46 L H H 22.44 20.58 22.33 41.89 91.26 51.45 -64.41 -38.78 2.24 0.00 97.75 0.07 0.07 1.99 96.64 1.23 0.00 0.00 0.00 47 R H H 127.92 4.43 26.50 31.31 91.77 52.25 -67.72 -34.79 17.19 0.01 82.80 0.22 0.34 17.30 80.73 1.41 0.01 0.00 0.00 48 L H H 44.16 12.45 22.15 34.99 94.72 47.92 -81.53 -23.11 22.30 0.01 77.69 0.42 0.80 21.38 75.99 1.38 0.01 0.00 0.01 49 A H H 4.27 24.70 15.70 40.49 93.33 76.24 -61.03 -44.22 3.30 0.01 96.69 0.87 0.44 1.68 95.57 1.42 0.00 0.00 0.00 50 P H H 60.61 7.32 22.81 30.54 91.49 51.28 -63.30 -40.36 1.92 0.00 98.07 0.62 0.15 0.99 96.83 1.40 0.00 0.00 0.00 51 K H H 108.12 2.94 24.36 26.34 91.88 50.32 -65.18 -40.64 0.80 0.00 99.20 0.21 0.07 0.42 97.90 1.40 0.00 0.00 0.00 52 L H H 16.78 17.16 17.51 35.22 92.30 50.44 -65.03 -41.60 0.59 0.00 99.41 0.14 0.05 0.30 99.15 0.35 0.00 0.00 0.00 53 K H H 63.04 15.56 17.47 32.41 91.60 52.10 -62.77 -42.39 0.69 0.00 99.31 0.15 0.06 0.36 99.31 0.13 0.00 0.00 0.00 54 K H H 126.08 1.68 22.29 22.17 91.91 50.08 -64.46 -41.30 0.89 0.00 99.11 0.16 0.07 0.49 99.14 0.14 0.00 0.00 0.00 55 K H H 99.16 3.55 19.52 23.16 92.04 49.15 -65.52 -40.48 1.24 0.00 98.75 0.18 0.12 0.75 98.73 0.21 0.00 0.00 0.00 56 A H H 10.20 15.42 11.03 27.54 91.82 50.97 -64.40 -40.95 2.35 0.02 97.63 0.57 0.27 1.31 97.37 0.47 0.00 0.00 0.00 57 E H H 115.73 4.56 14.37 20.45 91.90 51.73 -64.21 -39.13 3.38 0.02 96.60 0.74 0.32 2.10 95.70 1.11 0.00 0.01 0.01 58 S H H 94.73 0.75 14.81 14.23 91.29 53.29 -67.51 -26.48 11.18 0.03 88.79 0.88 0.78 9.24 87.85 1.20 0.01 0.01 0.02 59 K C T 128.25 3.33 11.87 16.56 94.85 51.04 -90.35 1.92 70.90 0.03 29.07 1.02 2.25 66.78 28.47 1.43 0.00 0.01 0.04 60 G C T 66.24 0.52 15.53 13.93 94.97 -110.28 76.55 18.81 99.40 0.01 0.58 4.16 2.86 92.57 0.31 0.09 0.00 0.00 0.00 61 C C C 43.17 11.52 8.23 20.60 120.90 139.29 -92.66 146.20 99.79 0.19 0.03 88.39 11.27 0.13 0.01 0.01 0.00 0.05 0.14 62 P C C 91.58 2.51 19.72 21.86 114.41 -102.40 -65.95 148.70 99.88 0.10 0.02 96.74 3.03 0.12 0.00 0.01 0.00 0.03 0.05 63 P C C 63.56 15.26 15.23 29.73 114.74 -105.93 -71.68 141.59 99.76 0.19 0.05 96.82 2.79 0.18 0.01 0.03 0.00 0.07 0.11 64 P C C 23.79 20.09 13.71 33.53 115.50 -109.61 -69.09 149.51 99.20 0.46 0.34 91.19 6.06 1.89 0.05 0.35 0.00 0.22 0.24 65 R C C 130.00 6.59 23.42 30.84 117.83 -131.52 -96.27 137.15 94.26 5.20 0.54 81.64 10.26 1.63 0.12 0.49 0.00 1.71 4.14 66 I C C 59.16 18.42 17.93 35.22 116.83 -137.62 -98.75 128.78 97.25 2.69 0.05 87.06 10.34 0.14 0.02 0.03 0.00 1.39 1.02 67 P C C 13.79 20.88 13.56 34.70 116.58 -111.74 -67.33 149.57 99.26 0.71 0.03 97.51 1.85 0.07 0.01 0.01 0.00 0.36 0.20 68 S C C 51.63 4.08 22.88 26.47 122.41 -121.26 -81.22 164.48 99.84 0.10 0.06 99.42 0.43 0.03 0.03 0.00 0.00 0.03 0.05 69 P H H 75.51 10.76 14.04 25.54 90.69 -102.94 -58.18 -36.23 2.92 0.00 97.08 0.57 0.37 1.66 96.72 0.68 0.00 0.00 0.00 70 E H H 137.14 1.21 19.89 19.44 91.68 54.72 -64.33 -38.94 1.47 0.00 98.53 0.19 0.12 0.98 98.00 0.71 0.00 0.00 0.00 71 D H H 49.10 10.86 17.93 29.45 92.11 49.66 -65.96 -39.70 0.64 0.00 99.35 0.18 0.06 0.34 98.74 0.68 0.00 0.00 0.00 72 I H H 6.90 23.75 13.89 37.57 91.58 50.59 -63.82 -42.80 0.14 0.00 99.86 0.03 0.01 0.07 99.80 0.10 0.00 0.00 0.00 73 E H H 97.31 5.16 22.45 27.85 91.40 51.06 -63.19 -41.07 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.04 0.00 0.00 0.00 74 A H H 49.25 3.47 22.91 25.95 91.27 50.50 -63.91 -41.68 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 75 L H H 8.57 20.80 17.25 38.34 91.67 49.98 -63.84 -42.93 0.11 0.00 99.89 0.01 0.00 0.08 99.88 0.04 0.00 0.00 0.00 76 E H H 49.67 16.28 19.53 35.17 91.43 51.57 -62.51 -41.33 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.05 0.00 0.00 0.00 77 E H H 113.31 1.76 23.95 23.60 91.68 50.39 -64.25 -41.10 0.42 0.00 99.58 0.02 0.01 0.32 99.44 0.20 0.00 0.00 0.00 78 K H H 77.01 8.68 20.50 29.76 92.00 49.61 -65.49 -40.37 1.37 0.00 98.63 0.07 0.05 1.10 98.03 0.74 0.00 0.00 0.00 79 V H H 6.37 24.13 12.78 36.76 91.69 50.91 -64.69 -38.93 2.64 0.00 97.35 0.21 0.15 2.04 94.18 3.41 0.00 0.00 0.00 80 E H H 115.66 6.27 19.18 26.48 91.17 56.95 -68.51 -24.12 20.98 0.02 79.00 0.63 0.73 19.71 75.66 3.23 0.01 0.01 0.01 81 Q C T 129.21 1.70 19.96 20.72 94.47 54.08 -87.20 -8.39 55.57 0.05 44.38 2.45 2.49 49.56 41.88 3.55 0.00 0.02 0.04 82 L C C 27.33 19.57 7.21 25.21 115.10 107.48 -79.59 131.50 95.54 0.23 4.24 81.38 8.26 5.56 3.85 0.62 0.00 0.07 0.25 83 S C C 94.90 1.14 17.79 18.28 99.81 -173.61 -98.11 -16.46 98.76 0.16 1.07 76.99 17.07 4.69 0.68 0.34 0.00 0.05 0.18 84 N C S 80.58 3.99 17.21 22.08 120.11 65.19 -105.83 136.26 99.05 0.20 0.75 44.29 53.99 0.73 0.67 0.10 0.00 0.04 0.19 85 P H H 64.86 12.99 12.55 26.02 92.22 -130.91 -59.84 -35.68 10.49 0.02 89.50 1.23 1.53 7.31 87.75 2.15 0.01 0.00 0.01 86 K H H 131.85 2.70 19.25 22.28 91.67 55.13 -63.98 -39.08 8.18 0.01 91.81 0.78 0.73 6.22 89.96 2.28 0.01 0.00 0.01 87 D H H 55.98 7.40 19.07 27.55 92.24 49.59 -66.25 -38.94 4.86 0.03 95.12 1.43 0.57 2.65 92.82 2.49 0.01 0.01 0.01 88 L H H 8.60 22.85 15.24 38.09 91.23 52.82 -63.07 -43.07 1.02 0.00 98.97 0.32 0.11 0.47 98.74 0.36 0.00 0.00 0.00 89 R H H 88.69 13.93 22.52 35.43 91.33 51.45 -62.93 -41.63 0.26 0.00 99.74 0.06 0.02 0.13 99.72 0.08 0.00 0.00 0.00 90 K H H 102.90 5.22 27.10 32.79 91.56 50.30 -64.38 -41.50 0.16 0.00 99.84 0.02 0.01 0.09 99.82 0.06 0.00 0.00 0.00 91 L H H 14.60 19.24 23.75 42.55 91.44 49.30 -64.85 -42.80 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 92 A H H 3.02 24.95 23.28 47.75 91.27 51.91 -62.86 -43.13 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.02 0.00 0.00 0.00 93 V H H 39.39 14.91 27.23 41.76 91.85 50.52 -64.48 -42.36 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 94 S H H 29.00 12.03 28.66 41.57 91.77 50.22 -64.12 -42.25 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 95 L H H 3.38 25.21 26.06 50.67 91.53 49.88 -64.46 -43.02 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 96 A H H 4.03 24.26 25.43 48.94 91.63 51.10 -63.74 -42.50 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 97 L H H 48.99 12.17 28.26 40.96 91.86 50.62 -64.53 -41.83 0.21 0.00 99.79 0.01 0.01 0.15 99.75 0.08 0.00 0.00 0.00 98 W H H 58.25 14.63 27.48 42.10 92.00 49.17 -64.86 -41.82 0.44 0.00 99.56 0.04 0.02 0.31 99.39 0.25 0.00 0.00 0.00 99 A H H 2.65 24.95 22.09 46.85 91.41 50.90 -64.61 -41.29 1.99 0.00 98.01 0.14 0.09 1.57 97.32 0.88 0.00 0.00 0.00 100 F H H 39.96 18.68 23.64 41.29 92.08 49.72 -68.79 -32.39 7.32 0.02 92.66 0.61 0.45 5.99 90.41 2.51 0.01 0.01 0.01 101 A H H 38.44 10.18 22.52 33.23 92.56 60.78 -67.06 -31.82 17.84 0.13 82.03 2.43 1.88 13.58 77.78 4.17 0.04 0.06 0.07 102 S H H 31.52 13.98 19.26 33.17 97.19 51.25 -80.99 -16.71 33.21 0.47 66.31 7.28 4.34 22.05 58.75 6.99 0.08 0.23 0.28 103 W H H 59.25 19.12 14.13 32.08 96.10 73.85 -69.73 -29.56 35.56 1.12 63.33 10.73 6.64 18.43 44.00 18.90 0.16 0.58 0.57 104 N H H 109.85 4.19 17.80 23.11 96.00 62.27 -73.86 -17.08 49.38 1.04 49.58 12.03 8.62 28.97 33.05 16.06 0.13 0.52 0.62 105 N C T 101.57 4.64 15.51 21.19 100.76 48.17 -96.00 8.74 63.31 1.26 35.43 24.63 11.78 29.03 19.53 13.57 0.03 0.51 0.90 106 C C C 34.00 17.01 8.16 24.09 115.89 108.85 -88.27 134.44 99.50 0.37 0.12 96.52 2.66 0.37 0.06 0.03 0.00 0.15 0.20 107 P C C 87.19 4.37 17.18 22.34 107.58 -107.45 -67.87 139.30 99.98 0.02 0.00 99.90 0.06 0.02 0.00 0.00 0.00 0.01 0.00