# 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 S C C 86.09 2.33 13.33 16.53 115.21 -161.65 -92.68 137.72 99.87 0.10 0.03 99.55 0.25 0.12 0.01 0.00 0.00 0.05 0.02 1 L C C 97.81 6.76 7.90 16.07 115.19 -138.40 -91.82 135.01 97.79 1.20 1.01 94.10 2.70 1.01 0.77 0.18 0.00 0.38 0.88 2 S C C 61.23 3.21 10.87 15.50 115.12 -120.07 -79.08 147.05 98.66 0.14 1.20 94.99 3.05 0.62 1.10 0.11 0.00 0.05 0.08 3 P H H 100.04 2.31 10.89 14.54 92.90 -115.46 -60.25 -34.92 28.65 0.14 71.21 6.90 3.33 18.01 63.58 8.01 0.02 0.07 0.08 4 L H H 105.63 2.58 11.71 15.33 93.31 53.96 -67.28 -35.79 24.00 0.19 75.81 4.96 2.90 15.88 67.97 8.06 0.04 0.10 0.10 5 A H H 47.76 5.04 11.47 18.39 93.61 54.12 -66.70 -37.75 17.77 0.44 81.79 9.72 3.31 5.66 72.52 8.39 0.01 0.23 0.16 6 Q H H 101.21 3.45 13.75 18.31 93.49 56.02 -66.21 -38.97 13.90 0.40 85.70 9.83 2.00 2.98 82.17 2.68 0.00 0.21 0.13 7 R H H 136.18 2.66 14.62 17.86 93.11 52.58 -66.26 -39.75 10.92 0.53 88.55 6.85 1.63 3.25 85.63 2.18 0.01 0.31 0.13 8 V H H 73.98 4.44 14.62 20.19 92.88 50.03 -66.24 -41.42 8.11 0.61 91.28 5.15 1.23 2.51 88.87 1.71 0.01 0.40 0.12 9 V H H 72.82 4.44 15.22 20.81 92.63 49.57 -65.65 -41.74 6.91 0.48 92.61 4.58 1.03 1.94 90.64 1.39 0.01 0.31 0.09 10 T H H 69.32 3.59 15.73 20.14 92.71 49.90 -65.75 -41.06 8.30 0.36 91.35 4.93 1.11 2.63 89.53 1.49 0.01 0.22 0.07 11 Q H H 96.48 3.60 15.63 19.98 92.34 50.51 -65.37 -39.97 8.20 0.23 91.58 4.15 1.15 3.36 89.10 2.03 0.01 0.13 0.06 12 L H H 81.79 4.87 15.03 20.99 92.58 50.81 -65.75 -39.68 7.77 0.20 92.03 3.64 1.26 3.38 88.59 2.93 0.01 0.12 0.06 13 S H H 55.20 4.63 14.24 20.21 92.82 52.67 -65.70 -38.64 11.71 0.34 87.95 4.78 1.67 5.87 83.25 4.08 0.03 0.21 0.12 14 V H H 86.60 3.41 13.71 18.13 93.60 50.83 -68.33 -37.41 16.53 0.33 83.14 4.73 2.44 10.08 77.11 5.24 0.06 0.19 0.14 15 M H H 117.02 3.00 13.41 17.19 95.27 51.82 -74.28 -26.47 27.87 0.48 71.65 7.52 4.99 16.96 65.71 4.25 0.08 0.22 0.27 16 S C H 63.84 4.72 11.55 17.63 100.75 56.64 -84.01 -7.22 55.07 0.83 44.10 21.06 11.82 23.94 38.38 3.92 0.05 0.30 0.54 17 A C C 65.91 4.45 9.92 16.10 99.87 86.42 -72.97 -21.98 65.53 0.83 33.65 27.82 17.61 21.07 24.30 8.28 0.02 0.31 0.58 18 S C C 78.72 2.59 10.27 14.21 101.96 65.16 -79.32 -5.18 69.69 0.84 29.47 35.29 14.07 20.43 16.13 13.12 0.01 0.35 0.60 19 R C C 165.85 2.27 9.49 13.17 101.20 66.45 -80.99 -4.49 73.41 1.15 25.43 34.83 18.88 20.16 11.65 13.18 0.01 0.47 0.81 20 K C C 152.30 1.91 9.59 12.85 106.43 73.65 -87.93 80.53 80.16 1.86 17.98 43.06 20.57 16.75 7.95 9.64 0.01 0.79 1.23 21 Q C C 120.73 3.61 8.37 13.98 116.43 118.22 -95.41 131.00 95.48 0.99 3.54 53.54 40.30 1.79 2.52 0.87 0.00 0.31 0.67 22 P C C 90.75 3.60 8.88 14.45 114.34 -109.66 -67.48 149.55 93.30 0.55 6.15 82.76 6.75 4.18 3.11 2.61 0.00 0.25 0.35 23 K C C 163.80 1.27 10.26 12.43 112.00 -103.78 -75.18 140.90 90.06 0.91 9.03 76.63 9.43 4.39 4.23 4.32 0.00 0.41 0.60 24 L C C 127.86 2.61 8.24 12.92 113.28 -104.93 -74.19 136.55 89.66 1.54 8.80 79.30 7.44 3.47 4.20 3.96 0.00 0.77 0.87 25 L C C 105.52 4.75 7.70 14.42 113.54 -118.43 -81.57 136.51 91.91 2.37 5.72 85.47 4.90 2.24 2.95 2.16 0.00 1.39 0.89 26 K C C 167.57 1.05 11.41 12.91 114.16 -145.67 -96.83 126.35 90.12 5.86 4.02 82.62 5.78 1.80 2.69 1.23 0.00 3.64 2.24 27 L C C 80.06 8.45 6.20 15.54 120.17 -156.15 -98.40 142.81 88.07 8.73 3.20 80.60 6.07 1.07 2.60 0.74 0.00 4.70 4.22 28 A C C 63.33 1.80 12.06 14.29 117.94 -114.84 -73.23 160.42 95.68 1.15 3.18 92.80 2.41 0.74 2.81 0.32 0.00 0.50 0.42 29 R H H 180.54 1.27 10.87 12.90 92.33 -104.07 -58.43 -39.03 6.15 0.03 93.82 2.23 1.30 2.73 92.71 1.01 0.00 0.01 0.01 30 E H H 133.61 1.04 12.74 13.22 92.07 51.59 -65.40 -38.57 4.20 0.02 95.77 1.17 0.61 2.35 94.66 1.18 0.00 0.01 0.01 31 D H H 65.49 4.41 12.20 18.32 92.32 50.18 -66.18 -38.77 2.40 0.02 97.58 0.94 0.31 1.15 96.42 1.16 0.00 0.01 0.01 32 L H H 70.42 5.28 12.77 19.80 92.08 52.61 -64.18 -41.73 1.28 0.01 98.71 0.46 0.15 0.62 98.36 0.40 0.00 0.00 0.00 33 I H H 95.49 1.76 16.40 17.44 91.76 49.69 -64.16 -42.30 0.83 0.00 99.17 0.28 0.09 0.39 99.10 0.12 0.00 0.00 0.00 34 K H H 109.87 2.65 16.62 19.44 91.86 49.87 -64.22 -41.84 0.37 0.00 99.63 0.11 0.03 0.17 99.63 0.05 0.00 0.00 0.00 35 H H H 76.80 6.64 14.96 23.10 92.16 50.35 -64.49 -41.21 0.25 0.00 99.75 0.06 0.02 0.12 99.77 0.03 0.00 0.00 0.00 36 Q H H 93.60 2.98 17.69 20.75 91.85 50.75 -64.16 -41.32 0.19 0.00 99.81 0.04 0.01 0.09 99.84 0.02 0.00 0.00 0.00 37 T H H 67.75 2.59 17.93 20.30 91.84 49.90 -64.37 -42.23 0.18 0.00 99.82 0.04 0.01 0.09 99.84 0.02 0.00 0.00 0.00 38 I H H 68.78 6.00 16.18 23.34 91.93 49.35 -64.33 -42.14 0.10 0.00 99.90 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 39 E H H 91.90 4.63 17.11 22.61 91.75 50.66 -64.03 -41.65 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 40 K H H 119.93 1.74 18.79 19.38 91.69 49.65 -64.47 -41.58 0.11 0.00 99.89 0.01 0.01 0.07 99.90 0.01 0.00 0.00 0.00 41 C H H 57.31 3.85 16.90 21.52 91.82 50.04 -64.22 -41.81 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 42 W H H 102.72 6.56 15.86 23.39 91.88 50.07 -64.32 -41.35 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 43 S H H 56.35 2.87 17.59 20.63 91.50 51.35 -63.83 -41.13 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.03 0.00 0.00 0.00 44 I H H 91.18 2.09 18.12 19.42 91.72 49.98 -64.01 -42.20 0.16 0.00 99.84 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 45 Y H H 99.81 4.73 16.21 21.83 91.79 49.47 -64.25 -42.51 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 46 Q H H 84.79 4.67 16.20 21.73 91.72 49.88 -64.17 -41.15 0.24 0.00 99.76 0.03 0.01 0.14 99.78 0.03 0.00 0.00 0.00 47 Q H H 98.28 1.95 17.27 18.65 91.54 50.38 -64.20 -41.01 0.22 0.00 99.78 0.02 0.01 0.13 99.80 0.03 0.00 0.00 0.00 48 Q H H 96.08 2.18 17.24 18.99 91.78 50.01 -65.04 -40.82 0.23 0.00 99.77 0.03 0.01 0.14 99.79 0.03 0.00 0.00 0.00 49 Q H H 80.24 4.40 15.62 21.05 91.97 50.36 -64.59 -41.10 0.23 0.00 99.77 0.03 0.01 0.13 99.79 0.03 0.00 0.00 0.00 50 R H H 119.78 3.27 16.05 19.86 91.84 50.46 -64.20 -40.81 0.29 0.00 99.71 0.04 0.01 0.16 99.74 0.04 0.00 0.00 0.00 51 E H H 108.68 1.77 17.03 18.03 91.68 50.07 -64.54 -41.14 0.38 0.00 99.62 0.06 0.02 0.22 99.66 0.04 0.00 0.00 0.00 52 R H H 134.02 1.82 17.08 18.20 91.81 49.84 -64.49 -41.21 0.42 0.00 99.58 0.08 0.03 0.24 99.61 0.04 0.00 0.00 0.00 53 R H H 113.72 4.06 15.87 20.71 91.92 49.53 -64.78 -40.87 0.45 0.00 99.55 0.08 0.03 0.26 99.58 0.04 0.00 0.00 0.00 54 N H H 80.12 3.58 16.26 20.51 91.77 50.66 -64.02 -41.15 0.50 0.00 99.50 0.10 0.04 0.28 99.53 0.05 0.00 0.00 0.00 55 L H H 91.91 1.80 17.68 18.47 91.66 49.93 -64.37 -41.13 0.58 0.00 99.42 0.10 0.04 0.35 99.45 0.06 0.00 0.00 0.00 56 Q H H 95.11 2.59 17.43 19.87 91.90 49.99 -64.91 -41.14 0.93 0.00 99.07 0.13 0.06 0.61 99.13 0.08 0.00 0.00 0.00 57 L H H 67.93 5.94 15.32 22.40 91.93 49.98 -65.03 -40.71 0.92 0.00 99.08 0.17 0.07 0.55 99.14 0.07 0.00 0.00 0.00 58 E H H 102.68 2.85 17.46 20.47 91.58 50.98 -63.66 -41.18 0.39 0.00 99.61 0.09 0.03 0.19 99.65 0.04 0.00 0.00 0.00 59 L H H 90.48 2.12 17.98 19.43 91.79 50.04 -64.53 -41.11 0.22 0.00 99.78 0.03 0.01 0.13 99.80 0.03 0.00 0.00 0.00 60 Q H H 85.65 5.03 17.24 22.85 91.95 50.18 -64.59 -41.43 0.28 0.00 99.72 0.03 0.01 0.18 99.74 0.05 0.00 0.00 0.00 61 Y H H 96.62 6.58 16.54 23.95 91.89 49.49 -64.61 -41.48 0.37 0.00 99.63 0.04 0.02 0.24 99.66 0.04 0.00 0.00 0.00 62 K H H 113.72 2.18 19.43 20.83 91.59 50.35 -64.15 -41.11 0.31 0.00 99.69 0.04 0.02 0.18 99.73 0.03 0.00 0.00 0.00 63 S H H 50.26 3.33 18.05 21.76 91.70 50.92 -64.04 -41.24 0.36 0.00 99.64 0.04 0.02 0.22 99.68 0.04 0.00 0.00 0.00 64 I H H 61.12 8.83 16.58 26.18 92.14 50.16 -65.35 -40.94 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 65 E H H 94.47 5.22 18.57 24.37 91.74 51.42 -63.82 -41.69 0.14 0.00 99.86 0.01 0.01 0.09 99.88 0.02 0.00 0.00 0.00 66 R H H 138.87 1.61 21.24 21.03 91.84 49.66 -64.31 -41.63 0.19 0.00 99.81 0.01 0.01 0.12 99.83 0.02 0.00 0.00 0.00 67 S H H 37.66 6.63 17.92 25.69 91.69 50.53 -64.00 -41.76 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 68 M H H 50.47 11.40 16.01 28.28 91.81 51.00 -63.93 -40.75 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 69 N H H 83.30 2.69 20.20 22.34 91.52 50.55 -63.89 -41.25 0.13 0.00 99.87 0.01 0.01 0.07 99.89 0.02 0.00 0.00 0.00 70 L H H 81.97 2.62 19.03 21.16 91.58 49.60 -64.31 -41.54 0.20 0.00 99.80 0.01 0.01 0.13 99.80 0.05 0.00 0.00 0.00 71 L H H 40.52 10.62 13.21 25.36 91.71 50.87 -64.49 -40.07 0.29 0.00 99.71 0.02 0.01 0.20 99.64 0.13 0.00 0.00 0.00 72 Q H H 90.90 7.29 13.62 22.20 91.56 53.00 -64.98 -35.49 1.46 0.00 98.54 0.05 0.04 1.36 98.17 0.37 0.00 0.00 0.00 73 E H H 150.38 0.80 16.15 15.17 93.01 50.20 -70.53 -33.44 5.14 0.00 94.86 0.08 0.16 5.10 94.30 0.36 0.00 0.00 0.00 74 L H H 105.64 2.87 14.09 17.33 99.64 36.29 -88.87 -34.18 10.37 0.02 89.61 0.27 1.24 8.72 89.49 0.25 0.02 0.00 0.01 75 S C C 39.58 8.10 11.22 21.14 118.82 10.75 -140.77 96.24 99.53 0.09 0.38 96.76 2.54 0.24 0.35 0.03 0.00 0.03 0.07 76 P H H 83.88 4.64 13.25 19.94 93.40 -176.16 -63.17 -32.36 3.96 0.01 96.03 0.54 0.41 2.78 95.07 1.19 0.00 0.00 0.00 77 R H H 148.82 1.99 17.36 19.20 91.72 56.79 -65.03 -39.62 1.31 0.00 98.69 0.10 0.09 1.04 97.83 0.94 0.00 0.00 0.00 78 L H H 48.98 9.97 15.05 26.17 92.06 50.60 -65.02 -41.46 0.39 0.00 99.61 0.06 0.03 0.24 98.98 0.70 0.00 0.00 0.00 79 F H H 59.25 10.96 14.66 26.72 91.76 50.44 -63.14 -42.22 0.21 0.00 99.79 0.03 0.01 0.13 99.48 0.35 0.00 0.00 0.00 80 E H H 113.35 2.27 20.49 21.97 91.75 50.20 -64.34 -41.53 0.44 0.00 99.56 0.03 0.02 0.34 99.08 0.52 0.00 0.00 0.00 81 A H H 44.05 5.32 17.31 23.90 91.86 50.13 -65.19 -39.06 1.37 0.00 98.63 0.06 0.06 1.20 97.88 0.80 0.00 0.00 0.00 82 A H H 27.49 13.80 12.86 27.46 91.98 53.78 -67.87 -29.62 12.42 0.01 87.57 0.35 0.42 11.73 86.57 0.92 0.01 0.00 0.01 83 N C T 90.91 5.72 15.97 22.78 96.17 52.42 -88.91 -5.76 55.65 0.16 44.19 3.06 3.57 46.91 44.58 1.68 0.03 0.05 0.12 84 A C S 58.49 5.25 11.79 18.89 114.91 103.32 -80.23 142.81 87.16 0.96 11.88 27.67 50.67 8.19 10.61 1.80 0.00 0.29 0.77 85 S C C 85.37 2.85 10.82 15.43 109.16 -119.08 -77.74 120.35 82.85 1.60 15.55 56.71 13.07 12.78 7.85 7.81 0.00 0.75 1.03 86 E C C 125.76 3.88 9.16 14.84 112.02 -152.47 -94.94 123.21 81.39 2.54 16.06 55.09 12.75 13.26 7.36 8.68 0.00 1.18 1.67 87 K C C 157.41 2.01 9.95 13.32 111.07 -118.79 -84.13 123.73 85.37 1.66 12.97 36.81 18.88 30.34 4.01 8.23 0.00 0.79 0.94 88 G C C 56.14 2.37 10.69 14.20 108.57 14.47 81.89 6.89 93.09 0.86 6.05 35.86 22.93 34.17 1.12 5.05 0.00 0.41 0.45 89 K C C 141.34 3.49 9.61 14.84 107.82 132.03 -86.28 79.12 94.07 1.93 4.01 53.67 24.35 15.68 0.75 3.64 0.00 0.95 0.95 90 R C C 164.73 2.59 10.74 14.66 103.75 114.52 -88.83 -12.92 92.93 5.16 1.91 54.62 31.62 6.79 0.50 1.51 0.00 2.67 2.30 91 F C C 108.75 6.89 8.17 16.54 119.09 58.47 -107.46 133.19 92.70 6.80 0.50 52.86 39.78 1.03 0.21 0.26 0.00 3.75 2.12 92 P C C 82.72 3.87 10.55 16.13 111.66 -105.77 -68.41 143.42 91.86 5.12 3.02 81.17 7.38 3.32 0.86 2.13 0.00 3.58 1.57 93 M C C 138.82 2.94 8.90 13.68 102.18 -146.79 -81.51 -17.40 75.90 8.47 15.63 42.27 19.50 14.83 2.78 12.83 0.02 5.44 2.33 94 E C C 149.02 1.53 9.93 12.30 112.39 57.50 -97.64 117.00 67.41 14.82 17.77 44.60 11.08 12.40 3.47 14.12 0.02 11.50 2.80 95 M C C 118.02 5.14 7.18 14.04 116.93 -160.90 -101.93 134.69 76.33 14.63 9.04 61.60 10.57 3.99 2.96 6.34 0.01 10.80 3.73 96 K C C 155.20 1.64 10.33 13.34 117.84 -155.32 -107.56 133.66 88.51 9.30 2.19 71.92 14.56 1.96 1.07 1.13 0.00 6.43 2.93 97 V C C 102.78 4.11 8.57 14.57 116.59 -121.22 -87.21 139.65 93.64 3.44 2.91 72.29 18.94 2.70 1.30 1.43 0.00 2.29 1.05 98 P C C 97.45 3.60 9.66 15.00 111.20 -100.96 -70.00 139.89 91.45 2.54 6.01 74.30 9.03 8.34 1.93 3.80 0.00 1.54 1.07 99 T C C 86.63 4.38 8.09 14.39 119.24 -166.49 -111.33 145.35 87.29 6.01 6.71 60.60 14.98 11.34 2.10 4.45 0.00 2.72 3.82 100 D C S 120.23 1.84 10.07 12.72 100.12 -142.15 -86.64 -9.33 93.45 3.45 3.11 42.08 42.90 8.78 0.83 2.04 0.00 1.66 1.70 101 F C S 145.21 2.51 9.65 13.60 118.58 58.18 -114.60 128.03 97.65 2.12 0.23 39.48 57.57 0.91 0.07 0.12 0.00 0.83 1.01 102 P C C 86.68 4.26 9.00 15.16 116.94 -106.63 -71.12 150.72 99.39 0.42 0.19 88.84 9.52 1.05 0.04 0.13 0.00 0.21 0.20 103 P C C 82.12 4.76 8.63 15.36 114.30 -103.76 -65.78 147.90 97.96 0.87 1.17 89.10 5.31 3.54 0.29 0.75 0.00 0.36 0.64 104 N C C 133.14 1.55 9.62 11.99 98.73 -135.12 -79.87 -10.22 97.23 1.10 1.67 46.04 44.81 6.40 0.38 1.20 0.00 0.44 0.75 105 T C S 104.44 1.46 10.04 12.40 119.71 66.15 -107.81 137.77 96.53 1.24 2.23 31.07 58.14 7.44 0.48 1.57 0.00 0.53 0.78 106 L C C 123.54 2.63 8.58 12.88 110.25 -115.38 -79.65 130.30 94.56 1.54 3.91 53.82 27.32 13.19 0.77 3.32 0.00 0.76 0.81 107 W C C 155.74 5.49 7.16 14.23 112.88 -115.26 -90.32 129.23 90.19 5.65 4.16 70.23 12.40 6.92 1.08 3.30 0.00 3.02 3.04 108 H C C 134.95 2.48 9.91 13.93 113.28 -156.44 -100.91 115.74 89.06 6.25 4.69 76.76 7.09 5.10 1.28 3.36 0.00 3.62 2.80 109 Y C C 148.08 4.91 7.38 13.99 107.25 -174.94 -96.17 57.30 86.62 4.24 9.14 43.13 16.88 27.07 1.75 7.29 0.00 2.45 1.43 110 N C C 126.23 1.30 9.48 11.52 108.12 124.37 -94.04 88.06 87.55 4.69 7.76 43.92 14.29 29.95 1.34 6.24 0.00 3.16 1.11 111 F C C 140.75 4.09 6.24 12.09 111.70 119.93 -90.88 122.55 88.08 6.47 5.46 81.37 2.10 5.46 1.43 3.17 0.00 4.39 2.09 112 R C C 173.91 1.83 10.78 13.96 112.91 -169.00 -101.46 130.36 99.69 0.27 0.03 99.66 0.10 0.05 0.01 0.00 0.00 0.16 0.02