# 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 K C C 142.20 3.32 15.00 19.55 113.87 -152.70 -92.73 128.20 99.83 0.12 0.05 99.60 0.15 0.14 0.02 0.00 0.00 0.06 0.02 1 G C C 41.10 6.97 10.81 19.00 118.62 -125.75 -87.94 170.05 93.47 2.66 3.88 86.37 1.79 5.93 1.54 1.62 0.00 1.41 1.35 2 L C C 108.87 5.77 10.24 17.34 105.85 -87.50 -84.89 50.52 87.85 4.83 7.32 45.53 17.35 25.67 2.48 4.31 0.01 2.55 2.12 3 G C C 47.45 3.89 11.48 16.87 112.04 11.59 82.87 -148.16 86.74 3.51 9.75 36.39 24.72 26.55 3.40 5.60 0.01 1.65 1.67 4 K C C 155.83 2.04 11.34 14.58 104.97 -42.47 -82.20 57.42 77.67 2.72 19.61 32.03 22.19 24.33 10.31 8.35 0.02 1.18 1.58 5 G C T 53.24 2.60 11.42 15.20 103.87 19.91 45.49 -16.62 75.10 1.50 23.40 23.71 20.62 31.80 13.72 8.52 0.03 0.64 0.96 6 G C C 44.30 4.59 11.65 17.69 105.31 19.75 -28.47 -41.61 63.76 1.34 34.91 29.27 16.72 19.04 23.80 9.77 0.03 0.54 0.83 7 A H H 58.87 6.55 10.54 18.60 107.17 53.34 -77.77 114.67 47.22 1.78 51.00 27.45 10.14 11.16 40.00 9.58 0.04 0.89 0.75 8 K H H 131.00 3.20 13.07 17.46 105.53 -122.64 -78.30 64.40 39.73 2.26 58.01 25.64 7.20 8.64 47.98 8.46 0.03 1.28 0.77 9 R H H 142.14 3.96 13.06 18.31 102.84 52.20 -75.09 -15.59 34.49 2.05 63.46 23.35 5.88 7.14 55.33 6.44 0.02 1.20 0.64 10 H H H 98.14 8.13 12.15 21.33 100.19 58.62 -78.70 -15.50 30.57 1.31 68.13 22.19 4.48 5.62 62.42 4.15 0.01 0.73 0.40 11 R H H 125.22 7.20 13.60 21.89 99.32 55.16 -72.44 -32.70 18.05 0.88 81.07 12.43 2.80 4.14 76.47 3.36 0.01 0.55 0.23 12 K H H 121.75 3.86 15.73 20.42 97.74 52.14 -72.31 -33.58 13.64 1.24 85.12 8.77 2.16 3.89 80.25 3.74 0.02 0.91 0.26 13 V H H 65.40 7.47 14.36 23.13 100.10 53.59 -76.06 -35.53 11.67 1.40 86.93 7.23 1.84 3.62 81.95 3.96 0.02 1.12 0.25 14 L H H 58.74 11.92 13.21 25.66 97.18 51.26 -70.79 -35.04 12.63 1.20 86.17 7.35 2.07 4.32 80.36 4.68 0.03 0.93 0.27 15 R H H 124.60 7.68 15.44 23.93 96.30 52.74 -70.87 -33.15 16.38 0.85 82.78 7.00 2.78 7.63 75.87 5.83 0.06 0.56 0.26 16 D H H 94.95 4.01 16.54 21.34 97.77 51.81 -76.36 -22.60 26.38 0.47 73.16 6.34 4.06 16.52 65.59 6.90 0.11 0.26 0.22 17 N H H 83.26 7.84 16.18 24.64 101.11 43.75 -91.05 10.31 43.12 0.65 56.23 10.90 6.37 26.61 47.66 7.67 0.09 0.33 0.37 18 I C C 40.47 18.49 11.08 28.30 100.46 91.84 -89.22 7.51 59.13 3.16 37.71 29.64 8.98 21.81 26.43 9.74 0.09 1.57 1.73 19 Q C T 123.19 4.10 16.38 22.20 105.75 117.94 -71.75 108.49 81.68 1.86 16.46 13.15 7.47 60.50 11.57 5.28 0.04 1.05 0.94 20 G C T 51.88 3.67 18.59 22.74 98.20 23.96 81.28 -1.45 91.62 0.92 7.47 12.79 11.24 67.99 3.09 3.94 0.00 0.57 0.38 21 I C C 28.53 20.56 9.57 28.97 115.30 115.43 -88.94 128.63 95.30 3.57 1.14 80.80 13.28 0.84 0.79 0.36 0.00 1.31 2.61 22 T C C 70.01 3.66 21.57 24.78 123.83 -147.29 -91.26 160.44 96.76 2.20 1.03 94.80 1.72 0.30 0.90 0.11 0.00 0.63 1.53 23 K H H 107.39 10.92 14.38 25.78 92.44 -103.70 -58.50 -40.08 2.69 0.01 97.29 0.66 0.50 1.30 97.22 0.32 0.00 0.00 0.00 24 P H H 78.45 2.35 19.85 21.45 91.41 52.24 -63.36 -39.39 1.51 0.01 98.49 0.28 0.14 0.93 98.24 0.41 0.00 0.00 0.00 25 A H H 27.17 8.73 17.41 28.04 91.97 50.70 -64.70 -40.94 0.58 0.01 99.41 0.15 0.06 0.30 99.12 0.37 0.00 0.00 0.00 26 I H H 14.60 20.07 14.47 34.58 92.00 50.26 -64.43 -42.25 0.44 0.01 99.55 0.12 0.05 0.20 99.46 0.15 0.00 0.01 0.00 27 R H H 113.68 7.04 20.08 27.71 91.69 50.82 -63.51 -41.17 0.79 0.02 99.20 0.22 0.09 0.39 99.18 0.09 0.00 0.01 0.00 28 R H H 125.96 2.41 21.59 23.00 92.02 49.90 -64.55 -42.09 1.02 0.03 98.95 0.25 0.13 0.55 98.92 0.12 0.00 0.02 0.01 29 L H H 34.85 11.55 16.81 29.77 92.20 49.92 -64.80 -41.78 1.47 0.07 98.46 0.40 0.21 0.81 98.25 0.27 0.01 0.03 0.01 30 A H H 21.88 14.19 13.42 28.41 92.27 51.70 -64.11 -40.21 3.15 0.07 96.78 0.72 0.29 2.00 96.23 0.69 0.01 0.04 0.01 31 R H H 164.43 1.92 17.09 19.25 92.46 49.97 -66.40 -36.93 8.53 0.10 91.37 0.94 0.70 6.71 90.43 1.10 0.03 0.05 0.03 32 R H H 160.20 2.07 15.06 17.51 94.57 52.03 -73.56 -24.07 26.18 0.15 73.67 1.43 2.24 22.66 71.79 1.63 0.09 0.06 0.09 33 G C T 40.73 7.21 12.36 20.65 98.77 44.05 -88.44 -4.53 67.16 0.16 32.68 2.37 6.01 57.12 32.50 1.79 0.02 0.06 0.13 34 G C T 53.91 2.33 16.09 18.67 98.92 -112.76 79.88 11.68 98.11 0.40 1.49 29.67 13.44 55.24 0.56 0.73 0.00 0.23 0.14 35 V C C 45.37 14.81 8.09 22.52 113.89 146.22 -85.47 127.29 92.67 5.61 1.72 87.72 3.75 1.38 0.62 0.93 0.00 3.98 1.60 36 K C C 160.99 1.41 17.15 18.34 100.20 -170.35 -90.78 -23.65 91.22 7.25 1.53 60.67 26.68 4.11 0.37 1.23 0.00 6.07 0.86 37 R C C 149.87 3.09 17.53 21.49 125.67 19.62 -130.06 140.40 62.92 34.98 2.10 49.39 9.96 3.57 0.67 1.51 0.01 32.27 2.62 38 I E C 48.48 18.29 9.37 26.34 119.42 -168.75 -116.19 126.74 48.23 50.41 1.36 43.80 2.45 0.55 1.05 0.55 0.00 40.35 11.25 39 S C C 60.86 3.65 16.98 21.24 123.56 -160.56 -102.48 164.19 80.12 18.28 1.59 75.96 2.87 0.89 1.15 0.44 0.00 17.26 1.43 40 G H H 48.84 3.15 15.97 19.68 103.55 -12.80 18.82 -70.54 34.02 0.71 65.26 5.52 10.05 19.95 57.73 5.84 0.24 0.34 0.34 41 L H H 102.21 3.11 15.66 19.25 93.94 37.10 -68.80 -34.60 20.42 0.34 79.24 3.42 3.35 14.24 72.27 6.25 0.14 0.18 0.15 42 I H H 51.80 10.18 14.47 25.95 92.67 53.75 -65.09 -40.87 12.02 0.40 87.57 4.15 2.02 6.72 80.53 6.14 0.06 0.26 0.13 43 Y H H 69.75 12.77 14.55 27.82 91.97 52.37 -63.47 -42.10 4.15 0.14 95.72 1.92 0.68 1.85 93.50 1.92 0.01 0.09 0.03 44 E H H 118.35 2.57 19.44 21.90 92.02 49.78 -64.73 -40.93 2.86 0.06 97.08 0.86 0.37 1.62 95.69 1.40 0.01 0.04 0.01 45 E H H 103.38 3.70 19.65 23.49 92.63 47.50 -66.43 -41.02 4.47 0.04 95.49 0.68 0.43 3.18 94.31 1.37 0.01 0.02 0.01 46 T H H 23.90 15.62 16.16 32.09 93.12 47.64 -67.73 -40.60 7.92 0.04 92.04 1.13 0.77 5.72 91.41 0.93 0.01 0.01 0.02 47 R H H 91.20 11.80 18.35 30.15 91.87 52.94 -62.97 -41.30 4.30 0.02 95.69 0.89 0.41 2.73 95.53 0.43 0.00 0.01 0.00 48 G H H 34.32 3.10 21.08 23.89 91.67 50.99 -63.67 -41.48 3.67 0.01 96.32 0.48 0.27 2.72 96.00 0.52 0.00 0.00 0.00 49 V H H 59.08 6.79 20.29 27.97 91.90 49.35 -64.89 -41.84 0.75 0.00 99.25 0.15 0.06 0.45 99.13 0.22 0.00 0.00 0.00 50 L H H 30.49 16.23 16.92 33.45 91.87 50.63 -64.33 -42.03 0.16 0.00 99.84 0.03 0.01 0.08 99.82 0.06 0.00 0.00 0.00 51 K H H 99.82 7.52 19.97 28.01 91.78 51.84 -63.55 -41.27 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 52 V H H 78.79 2.79 21.51 23.51 91.70 49.78 -64.04 -42.63 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 53 F H H 71.19 9.77 19.67 30.04 92.02 48.92 -64.88 -42.37 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 54 L H H 34.34 15.54 17.39 33.29 91.87 49.76 -64.74 -41.54 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 55 E H H 94.35 5.39 20.96 26.75 91.69 51.32 -64.01 -41.11 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 56 N H H 75.88 4.08 21.78 25.75 92.05 49.31 -66.01 -40.86 0.28 0.00 99.72 0.02 0.01 0.20 99.76 0.02 0.00 0.00 0.00 57 V H H 31.24 13.71 18.79 33.17 92.13 49.42 -64.61 -43.03 0.39 0.00 99.61 0.04 0.02 0.25 99.66 0.03 0.00 0.00 0.00 58 I H H 48.69 12.91 19.23 32.46 91.93 50.20 -63.72 -42.53 0.31 0.00 99.68 0.06 0.02 0.17 99.67 0.07 0.00 0.00 0.00 59 R H H 133.79 2.67 23.31 25.33 91.59 49.95 -63.73 -41.86 0.37 0.00 99.62 0.06 0.02 0.23 99.60 0.08 0.00 0.00 0.00 60 D H H 61.98 6.24 21.78 28.36 91.97 48.50 -65.35 -40.83 0.80 0.00 99.20 0.11 0.05 0.54 99.18 0.12 0.00 0.00 0.00 61 A H H 14.54 16.24 16.77 33.83 92.01 51.12 -64.00 -41.96 1.28 0.01 98.71 0.20 0.10 0.83 98.65 0.21 0.00 0.00 0.00 62 V H H 59.59 7.60 20.26 28.64 91.79 49.95 -64.14 -41.81 2.39 0.05 97.57 0.48 0.28 1.46 97.42 0.32 0.01 0.02 0.01 63 T H H 71.84 2.36 22.17 23.15 91.71 49.63 -64.37 -42.42 4.11 0.11 95.78 1.05 0.54 2.41 95.38 0.53 0.01 0.06 0.03 64 Y H H 70.05 9.18 17.64 27.95 92.50 48.74 -65.70 -41.05 5.19 0.18 94.62 1.44 0.80 3.07 93.34 1.18 0.03 0.10 0.05 65 T H H 26.38 13.05 13.28 27.49 92.09 51.16 -65.81 -38.81 7.65 0.17 92.18 2.41 1.01 4.17 90.50 1.75 0.02 0.10 0.05 66 E H H 126.44 2.23 17.27 19.56 92.43 52.34 -65.46 -38.42 13.80 0.11 86.08 2.06 1.38 9.98 84.59 1.86 0.03 0.06 0.04 67 H H H 135.80 1.87 15.27 16.92 93.82 47.62 -75.03 -25.11 25.13 0.17 74.69 3.01 3.11 18.80 73.23 1.63 0.05 0.07 0.09 68 A C T 42.95 10.44 9.12 20.20 100.46 62.66 -83.18 -3.46 67.45 0.60 31.95 16.60 15.86 33.29 31.65 1.99 0.02 0.20 0.40 69 K C T 177.55 0.67 15.12 14.42 96.11 -130.19 38.58 19.60 92.91 0.37 6.72 25.59 15.40 52.05 4.88 1.71 0.00 0.16 0.22 70 R C C 111.42 6.48 10.32 18.66 124.96 108.57 -111.09 147.87 93.49 1.14 5.37 63.01 20.03 10.44 2.95 2.31 0.00 0.48 0.76 71 K C S 159.56 2.33 14.36 17.80 97.13 -148.36 -83.89 -16.50 96.50 1.36 2.14 29.38 60.84 6.57 1.03 0.96 0.00 0.86 0.36 72 T C C 83.61 3.59 18.20 22.65 128.59 43.10 -131.59 144.45 72.88 24.44 2.67 42.19 27.53 4.63 1.42 1.47 0.01 18.83 3.92 73 V C C 26.61 19.74 10.77 29.95 118.67 -155.62 -110.51 129.75 66.87 32.05 1.08 61.35 5.40 0.30 1.04 0.26 0.00 24.20 7.46 74 T C C 59.31 4.85 22.79 27.41 125.37 -152.00 -94.52 163.78 80.42 18.78 0.80 80.68 1.20 0.15 0.78 0.10 0.00 14.75 2.34 75 A H H 46.82 13.53 14.75 28.57 91.04 -103.13 -58.33 -38.99 1.87 0.01 98.12 0.29 0.24 1.17 97.90 0.39 0.00 0.00 0.00 76 M H H 106.38 3.72 21.21 24.90 91.44 54.37 -63.71 -40.05 0.63 0.00 99.37 0.07 0.04 0.43 99.15 0.30 0.00 0.00 0.00 77 D H H 41.02 11.23 19.42 31.41 91.92 50.22 -65.26 -40.53 0.21 0.00 99.79 0.04 0.01 0.13 99.54 0.28 0.00 0.00 0.00 78 V H H 11.07 20.89 17.06 37.90 91.75 49.66 -64.14 -43.42 0.10 0.00 99.90 0.01 0.00 0.06 99.84 0.09 0.00 0.00 0.00 79 V H H 50.98 8.91 21.08 30.82 91.43 49.89 -63.48 -42.97 0.13 0.00 99.87 0.01 0.01 0.09 99.84 0.05 0.00 0.00 0.00 80 Y H H 103.04 3.55 23.09 26.20 91.42 48.90 -63.90 -42.27 0.26 0.00 99.74 0.03 0.01 0.18 99.69 0.09 0.00 0.00 0.00 81 A H H 12.35 13.18 17.00 32.01 91.56 50.82 -62.98 -42.73 0.64 0.00 99.36 0.07 0.04 0.44 99.25 0.21 0.00 0.00 0.00 82 L H H 29.01 14.61 15.28 30.69 92.12 49.87 -64.35 -41.10 1.97 0.01 98.01 0.32 0.16 1.31 97.59 0.61 0.00 0.00 0.00 83 K H H 132.80 2.88 17.23 20.85 91.92 50.47 -64.95 -39.47 4.89 0.02 95.08 0.67 0.37 3.50 94.14 1.30 0.00 0.01 0.01 84 R H H 151.66 2.80 15.44 18.97 92.79 50.40 -68.91 -32.37 13.50 0.06 86.44 1.12 0.99 11.05 85.41 1.36 0.02 0.02 0.03 85 Q C H 92.52 7.35 12.30 20.85 96.20 48.12 -87.91 -6.48 53.38 0.22 46.40 3.05 4.56 43.94 46.53 1.66 0.04 0.07 0.14 86 G C T 56.54 2.45 14.26 17.45 98.54 -114.18 77.82 12.61 95.95 0.31 3.74 20.17 9.61 66.57 2.44 0.93 0.00 0.16 0.12 87 R C C 123.47 6.37 11.64 19.75 120.05 127.62 -101.57 140.49 94.07 2.53 3.40 81.19 9.88 2.95 1.90 1.39 0.00 1.26 1.42 88 T C C 82.14 5.66 13.28 20.56 117.05 -140.51 -97.28 138.64 91.97 4.47 3.56 85.88 3.88 2.36 1.57 1.58 0.00 2.46 2.26 89 L C C 90.13 9.57 11.27 21.60 100.03 -145.15 -79.86 -21.16 85.13 4.92 9.95 39.40 24.16 22.36 2.28 7.14 0.01 2.43 2.21 90 Y C T 146.90 4.96 12.03 18.34 111.11 47.34 -93.81 110.50 86.17 4.83 9.00 19.90 27.08 39.83 1.89 6.70 0.02 2.71 1.87 91 G C C 52.92 3.47 11.37 16.30 109.95 -40.82 85.31 17.91 90.61 3.54 5.85 44.96 19.27 26.45 0.94 5.04 0.00 1.97 1.36 92 F C C 139.37 4.79 9.38 15.83 109.35 110.18 -94.87 96.38 94.99 3.09 1.92 86.18 2.99 6.08 0.62 0.89 0.00 1.63 1.61 93 G C C 52.11 3.37 13.46 18.25 109.53 -40.90 86.59 1.37 99.88 0.10 0.02 99.64 0.20 0.09 0.01 0.00 0.00 0.06 0.01