# 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 41.19 5.97 12.80 20.04 117.29 -72.29 -98.13 -6.62 99.87 0.06 0.07 99.71 0.12 0.09 0.04 0.00 0.00 0.02 0.01 1 S C C 75.57 3.42 11.25 15.91 108.91 -87.96 -83.68 122.76 67.34 1.87 30.80 59.35 1.68 7.33 24.85 4.93 0.00 1.08 0.79 2 A C H 77.60 3.36 10.02 14.72 100.91 54.31 -75.60 -14.69 52.35 3.75 43.90 30.56 9.98 12.80 33.81 9.26 0.05 2.41 1.12 3 L H H 103.94 5.21 9.46 15.92 102.39 77.15 -80.31 -8.02 42.32 6.39 51.29 27.14 7.59 8.68 39.28 11.06 0.06 4.88 1.31 4 E H H 121.71 3.64 11.77 16.84 100.80 91.67 -79.23 -16.71 36.37 8.69 54.95 25.70 5.98 5.98 43.57 10.09 0.05 7.37 1.25 5 V H H 90.30 5.19 11.32 18.00 105.23 55.24 -84.24 39.09 35.59 11.69 52.73 24.51 5.32 6.59 42.21 9.35 0.05 10.55 1.43 6 L H H 99.72 5.96 11.26 18.49 106.18 57.55 -89.22 56.53 39.18 14.17 46.66 25.18 6.18 8.50 37.34 8.47 0.09 12.34 1.89 7 F C C 127.18 5.96 11.17 18.38 108.37 61.23 -93.30 70.74 50.15 14.98 34.87 29.90 8.83 12.00 28.13 6.61 0.15 11.72 2.66 8 Q C C 125.62 3.22 11.75 16.51 108.66 66.18 -93.20 83.30 68.72 10.08 21.20 33.83 19.16 15.78 17.24 4.45 0.12 7.06 2.35 9 G C C 39.45 5.11 11.47 17.99 122.20 -122.29 -116.09 173.87 90.83 3.87 5.30 47.67 35.70 7.88 3.13 1.98 0.00 2.51 1.12 10 P C T 102.79 3.22 12.23 16.72 105.34 -64.91 -70.32 118.29 79.22 1.68 19.10 32.41 14.25 33.11 10.70 7.83 0.01 0.93 0.75 11 G C T 48.97 4.55 12.07 17.78 104.88 38.58 -36.64 -7.38 73.24 1.72 25.04 29.80 13.37 30.83 14.91 9.30 0.02 0.84 0.92 12 A C H 63.75 6.66 11.40 19.26 102.01 58.25 -83.11 -1.55 55.83 1.67 42.50 29.37 12.64 14.91 30.30 11.09 0.04 0.78 0.87 13 G H H 42.96 4.44 13.87 19.41 106.57 50.92 -1.39 -55.86 45.34 1.51 53.15 22.68 10.21 14.14 41.87 9.61 0.06 0.77 0.66 14 A H H 68.22 3.95 13.52 18.50 100.04 43.08 -74.56 -24.90 29.48 1.59 68.93 17.46 5.84 7.89 56.03 11.26 0.04 0.98 0.49 15 L H H 84.00 6.97 11.94 20.26 101.01 59.15 -76.97 -18.50 20.98 2.45 76.57 13.55 3.62 5.64 62.62 12.13 0.04 1.90 0.50 16 E H H 105.05 5.94 13.06 20.31 100.26 65.92 -74.32 -22.92 16.60 2.72 80.68 10.29 2.97 5.03 66.22 12.62 0.04 2.39 0.43 17 V H H 90.52 4.31 13.19 18.66 100.00 67.25 -76.52 -27.62 15.52 2.64 81.84 8.49 2.89 5.47 66.77 13.54 0.06 2.37 0.41 18 L H H 103.72 4.66 12.77 18.72 101.23 66.24 -79.00 -9.49 23.32 3.18 73.50 10.86 4.09 9.49 59.90 12.26 0.13 2.61 0.67 19 F H H 119.29 6.74 11.25 19.26 105.81 69.39 -90.23 49.69 43.33 3.71 52.96 20.23 7.26 17.37 43.06 8.36 0.11 2.39 1.22 20 Q C C 122.13 3.71 11.83 17.02 108.43 139.92 -89.24 99.93 67.58 2.85 29.58 31.76 16.95 18.92 25.94 3.81 0.05 1.32 1.25 21 G C C 40.60 4.52 11.51 17.61 124.62 42.20 121.14 177.27 94.66 1.44 3.89 55.85 34.24 4.63 2.78 1.09 0.00 0.57 0.83 22 P C C 107.08 2.62 11.47 15.30 105.30 -61.14 -69.93 102.73 69.33 1.15 29.52 38.22 10.31 21.25 19.01 10.00 0.01 0.57 0.63 23 G C C 54.72 2.61 11.44 15.33 104.40 35.44 18.07 -10.72 62.21 1.30 36.49 29.06 11.59 22.31 22.64 13.01 0.03 0.63 0.73 24 S C H 74.13 4.17 10.97 16.71 107.86 71.33 -86.11 85.33 51.09 2.03 46.88 30.19 10.00 11.27 31.34 15.26 0.03 1.05 0.86 25 M H H 113.67 5.16 10.53 17.29 109.50 94.16 -90.76 101.61 47.43 2.99 49.57 30.67 9.11 8.99 36.96 11.45 0.04 1.65 1.12 26 A C H 69.15 5.13 11.34 18.05 108.17 -142.11 -83.25 125.81 51.77 3.07 45.16 34.20 8.86 9.86 36.21 7.96 0.03 1.70 1.20 27 S C C 76.58 3.98 11.76 17.21 107.25 -134.71 -89.18 91.59 58.59 2.41 39.00 34.60 11.02 13.84 31.68 6.55 0.03 1.20 1.07 28 N C C 103.18 4.61 11.58 17.71 106.85 105.66 -89.41 60.78 61.64 1.69 36.67 30.82 15.40 16.52 29.87 5.77 0.04 0.72 0.86 29 N C H 97.75 4.64 11.92 18.06 104.76 111.13 -85.99 29.89 58.05 1.43 40.52 29.16 14.69 15.56 33.87 5.36 0.03 0.60 0.73 30 T H H 89.41 3.98 12.67 17.76 99.23 104.62 -76.60 -22.86 42.42 1.21 56.36 21.30 10.77 12.57 49.20 5.02 0.04 0.54 0.56 31 A H H 64.30 3.48 13.57 18.08 98.04 65.04 -71.42 -36.44 36.86 1.08 62.05 20.52 8.08 9.68 57.26 3.52 0.02 0.51 0.41 32 S H H 55.42 4.61 14.49 20.28 97.07 53.59 -70.22 -36.67 29.70 1.09 69.21 20.50 4.98 5.61 65.62 2.36 0.01 0.54 0.36 33 I H H 78.15 6.57 13.84 21.65 93.13 54.08 -65.18 -40.75 7.14 0.20 92.66 4.20 1.26 2.09 91.18 1.10 0.00 0.10 0.06 34 A H H 55.64 2.77 16.65 19.63 92.03 52.11 -63.89 -41.28 3.83 0.12 96.05 2.02 0.55 1.44 94.98 0.90 0.00 0.07 0.04 35 Q H H 98.88 2.51 17.47 19.82 92.28 49.54 -65.56 -40.36 2.88 0.08 97.04 1.43 0.39 1.17 96.24 0.71 0.00 0.04 0.02 36 A H H 38.79 7.04 14.71 23.42 92.15 51.24 -64.19 -41.15 1.93 0.03 98.04 0.91 0.23 0.80 97.62 0.42 0.00 0.02 0.01 37 R H H 127.25 4.15 17.10 21.88 91.79 51.17 -63.78 -40.73 1.26 0.02 98.72 0.53 0.14 0.55 98.52 0.24 0.00 0.01 0.01 38 K H H 120.12 1.96 18.22 19.43 92.02 50.39 -64.83 -41.28 1.00 0.01 98.99 0.36 0.10 0.48 98.86 0.19 0.00 0.01 0.00 39 L H H 77.83 4.05 17.11 21.86 92.13 49.74 -64.73 -41.70 0.78 0.01 99.21 0.26 0.08 0.39 99.11 0.15 0.00 0.00 0.00 40 V H H 58.47 6.57 15.75 23.46 92.10 49.70 -64.42 -41.87 0.61 0.01 99.39 0.19 0.06 0.30 99.32 0.12 0.00 0.00 0.00 41 E H H 98.72 2.83 17.46 20.34 91.59 50.55 -63.83 -41.17 0.64 0.00 99.35 0.17 0.06 0.35 99.30 0.13 0.00 0.00 0.00 42 Q H H 98.72 2.27 17.13 19.12 91.99 50.35 -64.93 -40.85 0.89 0.01 99.10 0.19 0.07 0.52 99.02 0.18 0.00 0.00 0.00 43 L H H 76.40 5.14 15.20 21.42 92.19 50.56 -65.38 -40.65 1.11 0.01 98.88 0.25 0.09 0.65 98.71 0.29 0.00 0.00 0.00 44 K H H 112.09 4.27 15.78 20.75 91.99 51.55 -64.21 -40.30 1.73 0.01 98.26 0.37 0.14 1.06 97.90 0.53 0.00 0.00 0.00 45 M H H 107.23 2.04 16.37 18.03 92.44 50.24 -65.61 -40.33 3.55 0.03 96.42 0.69 0.33 2.32 95.54 1.10 0.00 0.01 0.01 46 E H H 106.57 2.87 15.51 18.68 92.82 50.47 -67.39 -37.83 8.14 0.07 91.79 1.53 0.87 5.49 90.44 1.60 0.02 0.03 0.03 47 A H H 48.11 6.53 12.51 20.50 94.32 55.89 -68.65 -32.75 25.31 0.26 74.43 5.00 3.10 17.26 72.01 2.34 0.05 0.10 0.15 48 N C H 98.31 3.29 14.43 18.47 97.35 56.21 -75.20 -18.88 49.76 0.66 49.57 14.37 5.88 29.71 46.24 3.14 0.03 0.28 0.35 49 I H H 98.08 3.75 13.08 17.90 99.47 71.28 -74.76 -31.22 48.49 1.24 50.27 20.88 12.47 16.40 45.47 3.63 0.05 0.53 0.58 50 D H H 87.55 3.82 13.06 17.94 99.34 57.18 -73.59 -25.88 44.26 0.98 54.76 26.62 6.66 11.43 50.75 3.67 0.01 0.47 0.38 51 R H H 145.71 3.43 13.29 17.81 94.95 62.00 -68.10 -33.45 30.30 1.04 68.66 15.57 5.77 10.35 62.50 4.84 0.03 0.58 0.36 52 I H H 96.74 3.17 14.49 18.31 95.22 53.63 -70.26 -37.18 26.34 1.51 72.15 15.37 4.85 7.53 67.05 3.83 0.03 0.93 0.42 53 K H H 111.28 3.92 15.76 20.36 95.83 54.87 -69.06 -36.85 24.48 1.55 73.96 16.76 3.56 5.49 70.03 2.78 0.01 0.95 0.42 54 V H H 69.10 6.52 14.25 22.06 94.00 53.58 -66.11 -40.74 14.59 0.70 84.72 9.21 2.29 3.78 82.57 1.54 0.01 0.42 0.18 55 S H H 59.12 3.48 16.73 20.75 93.08 51.35 -65.66 -40.67 10.35 0.45 89.20 6.20 1.48 3.05 87.70 1.18 0.01 0.26 0.13 56 K H H 123.03 2.04 18.52 19.82 92.86 49.57 -66.03 -40.62 5.56 0.19 94.25 2.74 0.85 2.17 93.16 0.91 0.01 0.10 0.07 57 A H H 43.09 5.28 16.40 23.02 92.34 50.40 -64.72 -41.61 3.94 0.08 95.98 1.81 0.53 1.60 95.29 0.69 0.00 0.04 0.03 58 A H H 42.31 6.47 15.94 24.01 92.06 51.07 -63.87 -40.96 2.27 0.03 97.70 0.96 0.27 0.94 97.40 0.40 0.00 0.01 0.01 59 A H H 56.36 2.75 18.16 20.83 91.82 50.94 -63.98 -40.95 1.05 0.01 98.94 0.35 0.12 0.49 98.83 0.20 0.00 0.00 0.00 60 D H H 84.98 2.40 18.63 20.47 92.02 49.91 -65.26 -40.54 0.77 0.00 99.23 0.20 0.08 0.40 99.18 0.14 0.00 0.00 0.00 61 L H H 68.76 7.22 15.92 24.43 91.88 50.63 -64.39 -41.59 0.45 0.00 99.55 0.10 0.04 0.24 99.52 0.09 0.00 0.00 0.00 62 M H H 88.30 5.77 16.66 23.60 91.65 50.86 -63.41 -41.39 0.29 0.00 99.71 0.05 0.02 0.16 99.69 0.07 0.00 0.00 0.00 63 A H H 60.08 1.82 18.35 18.97 91.58 50.27 -63.71 -41.82 0.37 0.00 99.63 0.05 0.02 0.23 99.62 0.08 0.00 0.00 0.00 64 Y H H 113.44 3.27 17.19 20.77 92.03 49.41 -64.54 -41.94 0.54 0.00 99.46 0.07 0.03 0.36 99.42 0.12 0.00 0.00 0.00 65 C H H 36.71 10.28 12.52 24.30 91.93 50.42 -64.51 -40.89 0.64 0.00 99.36 0.07 0.04 0.43 99.29 0.17 0.00 0.00 0.00 66 E H H 118.44 2.93 16.03 19.68 91.70 51.09 -64.61 -38.82 1.40 0.00 98.60 0.08 0.06 1.13 98.33 0.39 0.00 0.00 0.00 67 A H H 74.23 1.28 16.73 16.49 92.41 50.64 -68.18 -34.35 7.59 0.00 92.40 0.14 0.23 7.49 91.40 0.73 0.01 0.00 0.00 68 H H H 92.16 5.46 13.49 20.45 99.68 36.99 -103.01 -5.27 29.09 0.04 70.87 0.93 1.21 26.97 69.04 1.78 0.02 0.01 0.03 69 A H G 35.03 12.13 9.06 22.02 92.36 96.80 -61.09 -34.90 24.50 0.16 75.35 2.89 1.86 18.69 13.40 62.98 0.00 0.09 0.08 70 K H G 157.99 1.35 14.41 15.91 91.50 58.95 -69.65 -24.60 28.99 0.09 70.92 1.05 1.45 25.75 5.86 65.81 0.00 0.05 0.04 71 E H G 148.47 1.11 14.58 14.74 97.40 44.63 -96.49 -5.66 28.41 0.14 71.46 1.78 2.93 21.96 3.35 69.85 0.00 0.07 0.06 72 D C C 49.36 10.38 8.05 19.60 111.51 89.12 -99.34 111.15 99.60 0.30 0.11 75.28 24.03 0.22 0.05 0.05 0.00 0.06 0.33 73 P C T 95.91 3.36 12.94 17.97 92.19 -154.80 -64.71 -22.64 81.52 0.17 18.31 1.86 3.88 74.19 0.94 18.96 0.00 0.08 0.09 74 L C T 100.74 5.39 12.44 19.35 92.72 64.44 -78.15 -12.37 81.28 0.38 18.34 1.75 4.27 74.25 1.11 18.25 0.00 0.21 0.16 75 L C C 79.57 9.06 11.05 21.04 97.71 67.39 -83.71 -9.29 68.38 5.04 26.58 24.70 23.60 20.22 2.38 23.84 0.03 2.28 2.96 76 T C C 83.65 4.05 13.56 19.12 117.13 80.32 -105.28 128.18 92.69 4.10 3.22 41.82 40.07 10.79 0.75 2.54 0.00 1.95 2.08 77 P C C 94.71 4.47 13.29 19.34 112.28 -116.07 -70.35 140.48 97.85 1.41 0.74 52.91 36.63 8.18 0.12 0.77 0.00 0.69 0.70 78 V C C 58.02 10.09 8.65 19.97 119.23 -138.27 -97.88 135.74 97.64 2.16 0.20 62.83 34.52 0.42 0.09 0.10 0.00 0.75 1.29 79 P C C 77.15 2.30 15.13 17.53 113.06 -106.66 -64.77 143.94 97.74 1.79 0.48 95.76 1.62 0.43 0.17 0.21 0.00 0.65 1.16 80 A H G 70.31 7.58 8.65 17.60 92.63 -121.67 -60.53 -32.80 41.52 0.47 58.00 4.88 5.50 28.13 1.71 59.37 0.00 0.26 0.15 81 S H G 95.91 0.82 12.56 12.74 92.66 61.34 -73.50 -16.47 41.53 0.22 58.25 2.11 3.66 32.03 1.56 60.45 0.00 0.13 0.07 82 E H G 126.61 2.56 12.25 15.73 98.91 51.69 -89.79 -9.99 36.19 0.54 63.28 4.74 6.91 22.54 1.75 63.59 0.00 0.29 0.18 83 N C C 46.75 10.41 8.50 20.16 111.53 61.69 -112.40 105.00 98.86 0.58 0.56 70.56 27.51 0.64 0.31 0.21 0.00 0.14 0.62 84 P C T 81.70 4.42 13.17 19.48 92.98 -161.00 -65.75 -20.84 74.92 0.24 24.84 6.25 6.19 62.05 11.15 14.00 0.01 0.11 0.24 85 F C T 104.22 7.46 11.54 20.41 94.38 61.96 -83.17 -4.73 70.46 0.44 29.10 5.66 6.37 57.17 15.45 14.70 0.02 0.22 0.40 86 R C C 132.04 5.99 11.41 18.99 98.93 82.56 -71.28 -20.76 53.54 1.62 44.84 27.72 12.06 13.77 23.71 21.05 0.02 0.74 0.93 87 E C C 130.64 2.86 12.88 16.63 101.55 68.69 -81.97 6.65 56.73 1.71 41.56 37.06 8.75 10.76 26.91 14.85 0.01 0.86 0.80 88 K C C 123.02 5.26 10.68 17.70 110.76 86.98 -86.67 123.51 56.66 2.05 41.28 38.22 9.32 9.38 28.44 12.69 0.02 1.10 0.84 89 K C C 129.61 4.60 11.64 17.96 114.78 -152.62 -92.87 128.91 61.07 2.73 36.20 43.88 8.22 9.04 26.12 10.15 0.01 1.61 0.96 90 F C C 126.95 5.39 10.61 17.67 113.16 -133.01 -93.79 127.25 62.88 3.95 33.17 45.46 8.62 8.67 23.67 9.85 0.01 2.50 1.22 91 F C C 130.99 4.72 10.84 17.13 110.35 -157.24 -98.81 105.24 59.79 6.00 34.21 38.49 10.14 11.05 23.85 10.76 0.03 4.18 1.50 92 S C C 69.71 5.21 9.61 16.39 111.60 53.44 -94.78 113.19 57.72 9.69 32.59 35.59 10.23 11.87 21.49 11.39 0.07 7.46 1.89 93 A C C 74.70 3.86 9.81 15.39 111.56 -158.24 -94.52 119.44 50.94 19.31 29.75 33.22 8.11 9.75 19.70 10.19 0.11 16.38 2.53 94 I C C 117.79 3.73 9.58 15.07 111.31 -156.51 -94.25 117.05 57.64 19.80 22.55 47.60 2.20 7.60 16.86 5.32 0.05 16.56 3.82 95 L C C 103.48 5.73 11.13 18.40 110.96 -159.88 -93.07 114.48 98.85 1.03 0.12 98.67 0.17 0.13 0.08 0.01 0.00 0.87 0.06