# 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 36.55 6.62 15.63 23.06 109.69 -74.28 62.34 -147.02 99.68 0.06 0.26 99.38 0.17 0.20 0.21 0.01 0.00 0.02 0.01 1 K H H 132.90 3.11 15.31 19.08 97.81 3.73 -71.19 -33.33 29.44 0.36 70.19 24.62 1.52 4.47 67.12 1.97 0.00 0.17 0.14 2 A H H 48.46 8.20 12.21 21.73 94.26 57.08 -65.47 -39.76 14.35 0.31 85.34 8.25 2.38 4.79 81.20 3.09 0.01 0.17 0.10 3 R H H 123.73 6.47 14.73 22.42 92.94 52.90 -65.71 -38.49 8.80 0.27 90.93 4.99 1.45 3.09 86.41 3.80 0.01 0.18 0.07 4 A H H 54.39 3.95 15.85 20.82 92.62 52.14 -65.38 -39.73 7.46 0.26 92.28 4.09 1.23 2.72 88.21 3.50 0.01 0.17 0.06 5 K H H 112.15 4.22 17.71 22.66 92.72 50.87 -67.20 -37.91 9.84 0.35 89.82 4.89 1.64 3.99 86.37 2.78 0.02 0.21 0.10 6 A H H 30.71 12.62 13.76 27.22 93.26 53.79 -66.49 -37.20 14.88 0.47 84.65 7.49 2.48 5.73 81.35 2.51 0.02 0.26 0.16 7 K H H 118.88 5.60 18.30 24.75 94.71 54.38 -69.90 -33.14 24.00 0.89 75.10 12.79 4.12 8.10 71.61 2.57 0.02 0.48 0.30 8 T H H 72.50 5.07 17.80 23.35 99.36 55.83 -76.19 -25.09 34.12 1.55 64.32 20.27 5.47 9.68 60.15 3.03 0.02 0.85 0.51 9 R H H 103.52 9.98 16.16 26.58 98.54 60.49 -73.20 -29.08 36.63 2.59 60.78 22.53 6.87 9.13 55.21 3.94 0.04 1.47 0.81 10 S H H 38.26 12.89 13.42 26.54 100.46 61.51 -73.54 -31.22 42.62 3.37 54.02 27.61 6.55 10.19 47.66 4.87 0.04 2.02 1.05 11 S H H 69.72 5.30 15.83 22.12 96.02 58.41 -71.28 -28.35 45.78 3.68 50.55 27.18 7.76 12.55 41.92 7.09 0.06 2.22 1.21 12 R H H 148.99 4.24 15.78 21.11 95.19 62.01 -73.10 -21.99 46.98 4.53 48.49 18.49 10.84 20.04 36.77 9.13 0.33 2.62 1.78 13 A C T 46.32 11.73 13.83 25.90 96.72 53.24 -84.76 0.71 69.08 1.51 29.41 10.49 12.34 45.24 20.62 9.47 0.10 0.79 0.94 14 G C T 49.32 4.28 19.40 24.22 97.82 -105.83 81.91 7.25 89.92 1.23 8.85 18.85 16.59 54.92 3.97 4.41 0.00 0.70 0.55 15 L C C 33.66 18.79 12.03 30.30 114.63 129.35 -93.55 128.70 86.22 8.50 5.29 67.34 11.48 6.85 2.53 2.82 0.00 4.97 4.00 16 Q C C 112.62 5.97 21.36 28.01 109.75 -163.37 -98.66 82.27 86.10 10.13 3.76 59.85 21.65 4.57 2.43 1.56 0.00 5.95 4.00 17 F C C 38.39 19.23 14.71 33.34 119.80 142.68 -104.53 133.32 91.65 6.28 2.07 57.78 33.20 1.34 1.96 0.45 0.00 3.52 1.74 18 P C C 52.36 8.57 22.90 31.92 110.61 -107.44 -67.59 138.23 91.75 4.17 4.08 87.46 2.70 1.68 3.68 0.62 0.00 2.39 1.49 19 V H H 41.08 19.48 15.98 34.31 94.32 -124.20 -61.77 -35.95 26.31 0.48 73.22 8.39 4.40 14.42 69.25 2.99 0.06 0.22 0.26 20 G H H 32.24 6.57 21.44 28.63 92.80 56.95 -61.93 -38.49 17.87 0.24 81.89 4.13 2.59 11.50 79.01 2.48 0.06 0.11 0.12 21 R H H 95.93 8.67 22.53 31.27 92.55 52.82 -67.36 -38.56 5.66 0.15 94.18 2.55 0.92 2.53 91.94 1.91 0.01 0.10 0.04 22 V H H 4.21 24.58 16.88 41.63 91.73 52.58 -63.36 -43.53 1.86 0.08 98.05 0.80 0.27 0.88 97.26 0.71 0.01 0.06 0.01 23 H H H 57.03 14.21 21.01 34.86 91.48 51.13 -62.63 -41.92 1.26 0.05 98.69 0.44 0.16 0.66 98.10 0.58 0.01 0.04 0.01 24 R H H 119.37 2.89 24.18 26.17 91.62 50.41 -63.97 -42.33 1.38 0.06 98.56 0.36 0.17 0.84 98.01 0.56 0.01 0.04 0.01 25 L H H 21.30 13.87 18.02 33.13 91.81 49.73 -64.41 -41.85 1.83 0.07 98.10 0.47 0.24 1.14 97.41 0.68 0.02 0.04 0.01 26 L H H 18.09 20.98 14.05 34.60 92.00 51.04 -65.43 -38.87 3.73 0.09 96.18 0.77 0.40 2.57 94.83 1.32 0.03 0.06 0.02 27 R H H 148.62 4.53 18.15 23.84 91.80 51.89 -67.43 -32.11 11.72 0.09 88.18 0.92 0.90 9.88 86.94 1.23 0.05 0.04 0.04 28 K C T 140.21 1.95 17.88 19.28 95.48 46.15 -88.51 -7.40 53.54 0.20 46.27 1.70 3.74 46.50 46.20 1.59 0.05 0.07 0.14 29 G C T 35.36 9.72 14.24 24.59 108.55 -106.19 93.47 25.42 95.75 0.38 3.87 10.21 15.80 69.94 2.68 0.98 0.00 0.18 0.20 30 N C C 75.86 5.77 17.87 24.60 104.73 132.70 -99.18 83.76 90.98 1.11 7.92 76.44 8.32 6.14 5.77 2.04 0.00 0.47 0.81 31 Y H H 38.20 20.15 11.51 30.99 94.79 154.88 -69.32 -26.85 29.65 1.02 69.34 13.56 5.59 11.43 50.58 17.73 0.09 0.52 0.49 32 S H H 60.19 9.24 15.38 25.53 91.70 68.19 -64.39 -28.84 19.47 0.41 80.13 3.93 2.80 11.56 59.42 21.77 0.12 0.23 0.17 33 E H H 143.70 1.52 18.90 19.52 94.13 52.34 -74.73 -26.95 17.33 0.46 82.21 2.92 2.59 10.78 61.87 21.23 0.17 0.27 0.18 34 R H H 106.00 10.10 16.05 26.42 101.54 44.76 -90.58 -29.21 25.73 0.90 73.37 4.72 5.53 16.42 60.72 11.23 0.45 0.44 0.47 35 V C H 38.17 17.52 12.64 29.14 105.61 33.19 -104.69 -7.82 47.90 4.92 47.18 14.80 19.35 17.37 38.87 3.80 0.67 1.33 3.82 36 G C C 34.03 5.25 18.51 24.73 123.00 -136.73 82.53 -167.04 67.19 1.95 30.85 39.19 10.07 16.84 7.47 24.31 0.00 0.92 1.19 37 A C T 85.15 3.82 17.02 22.00 95.65 -39.53 -67.69 -10.20 64.48 0.37 35.15 2.29 6.62 55.33 5.70 29.50 0.02 0.19 0.35 38 G C T 30.89 10.07 18.71 29.23 94.16 53.62 -76.07 -6.16 60.59 0.25 39.16 5.34 5.18 49.20 10.53 29.39 0.01 0.12 0.22 39 A H H 10.43 19.77 16.94 37.14 92.59 103.77 -61.01 -42.13 6.05 0.03 93.92 3.90 1.11 1.32 92.87 0.78 0.00 0.01 0.01 40 P H H 28.97 18.43 20.95 38.42 91.72 52.96 -63.65 -39.97 1.41 0.01 98.58 0.41 0.14 0.73 98.18 0.53 0.00 0.00 0.00 41 V H H 65.61 8.41 25.94 34.54 91.83 50.18 -65.06 -41.69 0.28 0.00 99.71 0.06 0.02 0.15 99.49 0.28 0.00 0.00 0.00 42 Y H H 61.25 14.46 25.22 39.14 91.86 49.42 -64.79 -42.49 0.14 0.00 99.86 0.03 0.01 0.07 99.81 0.08 0.00 0.00 0.00 43 L H H 7.02 24.32 23.11 46.71 91.55 49.89 -64.28 -42.74 0.13 0.00 99.87 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 44 A H H 19.46 16.36 24.25 40.30 91.31 51.36 -62.88 -41.92 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 45 A H H 35.47 8.09 26.59 35.58 91.40 50.72 -63.80 -42.00 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 46 V H H 13.50 19.76 23.85 43.13 91.53 49.85 -64.25 -42.92 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 47 L H H 9.05 23.64 22.17 45.09 91.30 50.86 -63.56 -42.11 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 48 E H H 85.36 10.07 25.49 35.54 91.46 51.34 -63.28 -41.35 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 49 Y H H 85.26 9.54 25.55 35.28 91.87 49.12 -64.90 -41.65 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 50 L H H 9.81 21.87 21.91 43.30 91.39 49.37 -64.93 -42.45 0.19 0.00 99.81 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 51 T H H 22.27 18.94 22.24 40.23 91.64 51.36 -63.45 -41.77 0.34 0.00 99.66 0.03 0.01 0.22 99.68 0.04 0.00 0.00 0.00 52 A H H 42.98 6.53 24.78 31.76 91.47 51.75 -63.88 -41.66 0.29 0.00 99.71 0.03 0.01 0.19 99.69 0.07 0.00 0.00 0.00 53 E H H 63.55 10.54 24.40 35.07 91.77 49.46 -65.44 -41.15 0.42 0.00 99.58 0.05 0.02 0.29 99.53 0.12 0.00 0.00 0.00 54 I H H 6.40 23.88 19.78 43.50 91.30 50.02 -63.87 -43.27 0.50 0.00 99.50 0.07 0.03 0.32 99.43 0.15 0.00 0.00 0.00 55 L H H 48.23 14.86 22.10 36.38 91.53 50.59 -63.35 -41.70 0.91 0.01 99.08 0.15 0.07 0.58 98.85 0.34 0.00 0.01 0.00 56 E H H 111.98 3.35 25.74 28.84 91.62 50.19 -64.46 -40.85 3.38 0.03 96.60 0.42 0.23 2.53 96.04 0.74 0.01 0.02 0.01 57 L H H 34.49 14.43 21.09 35.58 92.15 48.65 -66.99 -39.03 8.01 0.07 91.92 1.01 0.70 6.08 91.11 1.03 0.02 0.03 0.02 58 A H H 12.79 19.95 17.54 36.99 92.88 51.54 -68.21 -34.46 20.06 0.34 79.61 4.18 2.86 13.31 77.21 2.05 0.08 0.15 0.17 59 G H H 30.33 9.67 20.55 30.23 98.16 56.64 -56.87 -42.36 38.31 0.83 60.86 9.30 5.80 24.28 54.61 5.08 0.11 0.42 0.40 60 N H H 95.39 4.63 21.34 25.98 96.96 38.15 -77.71 -20.92 40.55 1.80 57.66 12.40 8.03 21.63 47.35 8.59 0.17 1.16 0.66 61 A H H 34.19 11.22 16.11 28.26 97.20 64.74 -74.00 -26.13 39.81 5.08 55.11 17.54 8.11 16.17 43.50 9.59 0.18 3.70 1.21 62 A H H 32.96 13.10 12.93 26.52 101.12 62.04 -78.75 -7.73 45.99 7.65 46.35 25.69 8.29 14.21 36.41 7.99 0.14 5.40 1.87 63 R C H 143.51 4.51 14.57 20.31 102.99 84.88 -81.80 -1.60 54.19 7.67 38.14 25.79 11.37 18.70 30.30 6.38 0.31 4.90 2.25 64 D C T 105.55 2.97 13.57 17.47 102.20 46.08 -84.16 15.52 70.79 2.78 26.43 24.18 16.25 30.92 20.28 5.68 0.07 1.56 1.07 65 N C T 95.21 5.88 11.40 18.62 104.40 63.55 -87.75 54.11 81.11 1.09 17.80 28.78 18.59 34.18 11.53 5.80 0.01 0.49 0.62 66 K C C 141.63 4.00 12.80 18.17 98.33 137.58 -74.68 4.12 77.00 1.85 21.15 31.54 20.79 25.14 12.80 7.90 0.02 0.88 0.93 67 K C C 119.70 5.80 14.07 21.08 107.18 90.59 -89.33 82.24 70.58 5.21 24.21 37.40 17.69 15.81 15.30 8.80 0.04 3.13 1.82 68 T C C 63.76 10.91 14.42 25.82 108.61 103.90 -93.11 80.00 68.05 9.11 22.84 45.47 12.72 9.55 15.23 8.16 0.03 6.66 2.18 69 R C C 111.14 9.41 19.91 29.40 112.89 90.93 -97.19 129.02 64.01 14.92 21.07 40.19 16.00 7.96 14.85 6.74 0.06 11.13 3.07 70 I C C 25.43 20.99 15.15 35.48 112.32 -133.35 -92.25 118.23 63.48 20.16 16.36 46.06 12.82 4.01 13.08 4.11 0.05 11.40 8.48 71 I C C 53.30 10.46 21.80 32.67 118.44 -155.54 -93.45 145.91 80.54 2.16 17.29 71.25 6.54 1.36 18.45 0.69 0.00 1.18 0.53 72 P H H 51.24 14.31 16.82 31.06 93.43 -113.83 -58.37 -38.20 9.13 0.22 90.64 4.18 1.30 3.96 88.58 1.78 0.01 0.14 0.05 73 R H H 136.50 3.83 22.46 26.46 91.95 53.55 -64.09 -38.63 4.12 0.08 95.80 1.20 0.49 2.43 93.94 1.87 0.01 0.05 0.02 74 H H H 45.79 14.86 20.06 34.74 92.26 49.89 -66.34 -40.46 1.87 0.05 98.08 0.67 0.23 0.97 96.11 1.98 0.00 0.03 0.01 75 L H H 7.90 23.44 17.72 41.06 91.67 50.92 -64.22 -42.38 1.21 0.03 98.76 0.44 0.14 0.60 97.90 0.88 0.00 0.02 0.00 76 Q H H 75.54 9.71 23.20 32.96 91.36 51.73 -63.26 -41.60 1.41 0.04 98.54 0.38 0.14 0.84 97.94 0.67 0.00 0.03 0.00 77 L H H 53.91 6.34 23.57 30.58 91.56 50.72 -63.96 -42.35 1.62 0.06 98.32 0.36 0.18 1.04 97.53 0.84 0.00 0.04 0.01 78 A H H 7.52 17.76 17.64 36.36 91.71 50.71 -64.04 -42.03 2.33 0.08 97.59 0.59 0.25 1.42 96.48 1.18 0.01 0.05 0.01 79 I H H 30.07 17.70 17.49 34.83 92.65 48.10 -67.10 -38.59 4.94 0.09 94.97 0.73 0.47 3.64 93.15 1.91 0.02 0.05 0.03 80 R H H 143.49 4.08 20.43 25.03 92.62 51.39 -69.16 -29.55 15.32 0.08 84.60 0.90 1.15 13.16 83.34 1.33 0.05 0.03 0.04 81 N C T 88.81 5.62 17.27 23.50 101.66 33.79 -104.22 12.32 64.62 0.30 35.09 12.44 7.39 43.14 35.00 1.72 0.02 0.10 0.19 82 D C H 50.58 15.74 10.96 25.77 102.47 144.11 -75.49 64.98 51.21 0.45 48.34 42.93 4.95 3.22 46.55 1.96 0.00 0.14 0.24 83 E H H 134.47 1.94 18.24 20.06 93.80 72.42 -65.23 -38.26 6.39 0.06 93.55 1.42 0.88 4.01 89.72 3.91 0.02 0.03 0.02 84 E H H 89.43 5.59 18.36 24.76 92.47 50.81 -65.86 -40.01 3.57 0.06 96.36 0.94 0.39 2.26 92.72 3.62 0.01 0.05 0.01 85 L H H 8.45 21.84 12.14 34.03 91.91 50.78 -64.25 -41.67 2.00 0.05 97.94 0.60 0.25 1.13 94.90 3.06 0.00 0.04 0.01 86 N H H 66.51 10.82 16.69 28.07 91.42 53.37 -63.74 -37.84 2.69 0.05 97.26 0.64 0.28 1.71 94.61 2.72 0.01 0.04 0.01 87 K H H 144.26 1.42 20.88 20.97 92.24 51.54 -66.29 -38.44 4.79 0.05 95.16 0.44 0.36 4.01 91.84 3.28 0.02 0.04 0.01 88 L H H 50.98 13.17 16.92 30.29 94.72 45.31 -72.96 -38.58 7.48 0.09 92.43 0.48 0.63 6.56 90.17 2.03 0.06 0.05 0.03 89 L H H 24.54 19.90 13.97 33.12 98.45 37.29 -91.53 -14.86 26.05 1.31 72.64 4.74 4.84 18.13 68.45 2.32 0.29 0.61 0.61 90 G C T 40.35 4.65 19.00 24.58 108.12 -146.66 69.93 -118.15 75.42 5.47 19.11 21.79 16.87 36.65 13.88 5.48 0.09 4.01 1.24 91 R C T 156.00 3.65 19.09 23.49 115.35 1.75 -99.70 127.57 64.07 18.34 17.59 23.45 15.31 26.47 10.62 6.50 0.17 15.76 1.73 92 V C C 38.77 19.15 11.33 29.51 119.95 -164.43 -108.35 132.64 57.08 30.78 12.14 47.24 5.74 2.77 9.32 3.28 0.03 29.64 1.99 93 T E E 76.68 5.51 21.25 27.46 119.25 -163.63 -110.08 132.60 38.70 51.18 10.13 32.83 2.78 1.81 8.53 2.34 0.02 48.50 3.20 94 I E E 56.89 16.74 13.28 29.39 115.05 -157.00 -98.59 121.81 33.91 51.63 14.46 26.71 4.00 2.98 11.20 4.14 0.05 47.96 2.97 95 A C E 53.92 8.65 15.02 24.52 110.80 -144.51 -89.46 139.62 44.31 34.30 21.39 28.62 7.92 9.19 9.44 11.03 0.09 31.70 2.01 96 Q C T 132.66 3.28 16.02 20.16 107.53 -11.91 -84.82 92.11 52.42 24.09 23.48 17.61 12.86 25.35 7.19 14.28 0.29 19.74 2.67 97 G C T 46.48 5.94 15.70 22.42 108.51 -8.93 83.49 4.71 73.96 7.60 18.44 17.07 17.89 40.40 4.16 13.06 0.06 5.61 1.74 98 G C C 32.27 10.67 15.65 26.55 117.75 -32.45 107.06 5.49 78.46 15.24 6.31 28.91 25.18 25.97 1.39 4.42 0.02 12.11 2.01 99 V C C 61.17 12.24 16.38 29.04 121.31 -85.01 -107.97 135.34 59.76 36.48 3.76 39.40 15.58 3.94 2.29 2.02 0.10 22.09 14.59 100 L C C 46.52 14.88 14.08 29.44 113.11 -129.81 -89.23 126.92 79.92 16.15 3.93 66.62 9.97 2.72 2.42 1.74 0.00 13.59 2.93 101 P C T 73.24 7.72 16.15 24.88 105.07 -126.73 -66.26 139.26 73.62 7.81 18.57 24.36 11.47 38.19 10.41 7.78 0.07 6.36 1.38 102 N C T 109.12 4.16 17.55 22.32 99.10 25.92 -76.27 37.24 70.73 6.91 22.36 22.25 11.33 37.61 13.26 8.73 0.09 5.31 1.41 103 I C C 46.07 17.34 10.25 26.64 110.12 142.36 -90.12 113.97 54.13 14.77 31.10 39.04 7.94 6.99 20.64 11.21 0.05 11.67 2.47 104 Q C C 112.39 4.93 15.90 22.02 110.18 108.43 -86.50 111.97 42.00 21.08 36.92 29.18 6.29 6.59 25.11 11.90 0.07 18.95 1.91 105 A H E 55.59 8.49 13.00 22.57 109.22 60.75 -83.98 121.89 34.80 25.75 39.46 22.77 6.08 6.68 24.07 14.44 0.09 24.29 1.58 106 V H E 72.07 9.50 12.09 22.56 107.80 -140.72 -88.89 91.64 32.71 29.15 38.15 22.18 4.92 6.11 23.93 13.21 0.07 27.85 1.73 107 L C C 88.42 8.45 11.99 21.54 106.44 57.82 -86.54 67.61 42.95 24.54 32.51 33.70 2.29 6.69 22.57 9.09 0.05 22.53 3.09 108 L C C 92.68 8.31 14.27 23.32 106.34 -141.87 -87.42 67.14 97.93 1.32 0.75 97.39 0.28 0.41 0.65 0.06 0.00 1.12 0.10