# 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 M C C 118.36 3.73 10.93 16.23 115.72 -157.91 -93.11 145.73 99.68 0.20 0.11 99.45 0.21 0.11 0.06 0.01 0.00 0.10 0.05 1 S C C 78.15 2.75 8.85 13.07 108.54 -119.76 -82.34 128.93 66.82 1.55 31.63 61.19 1.48 4.05 30.57 1.39 0.00 0.65 0.69 2 T H H 99.77 1.98 8.86 12.02 99.78 56.99 -77.28 -26.21 42.55 1.00 56.45 30.62 6.57 5.89 54.04 2.06 0.01 0.45 0.35 3 D H H 105.45 1.70 10.30 12.73 97.16 57.86 -72.61 -31.27 27.53 0.82 71.65 20.47 4.19 4.45 68.00 2.23 0.00 0.42 0.23 4 V H H 90.39 2.30 10.83 14.11 94.74 55.54 -69.40 -39.49 13.97 0.56 85.48 9.91 2.54 3.05 82.11 1.93 0.01 0.31 0.13 5 A H H 62.01 2.38 12.01 15.26 93.72 51.05 -66.15 -39.83 9.25 0.37 90.38 6.09 1.54 2.54 87.91 1.61 0.01 0.22 0.08 6 A H H 64.53 1.96 12.65 15.06 92.58 51.46 -66.04 -39.43 7.31 0.29 92.40 4.21 1.29 2.56 90.12 1.56 0.01 0.19 0.06 7 A H H 61.54 2.18 12.66 15.46 92.40 51.56 -66.24 -39.52 7.66 0.31 92.03 4.14 1.31 2.90 89.85 1.50 0.02 0.20 0.07 8 Q H H 108.89 1.90 13.45 15.48 92.66 50.64 -67.01 -39.12 9.48 0.40 90.13 5.12 1.70 3.56 87.81 1.46 0.02 0.23 0.11 9 A H H 63.21 2.05 13.17 15.57 92.72 51.85 -66.00 -40.28 12.64 0.47 86.88 7.04 2.24 4.32 84.56 1.42 0.02 0.26 0.14 10 Q H H 110.11 1.82 13.41 15.34 92.97 50.93 -67.43 -38.90 17.07 0.55 82.38 9.65 2.91 5.41 80.06 1.51 0.02 0.29 0.17 11 S H H 62.73 2.44 12.70 15.82 93.61 52.45 -67.30 -38.49 23.05 0.67 76.27 13.71 3.43 6.60 74.02 1.67 0.01 0.35 0.21 12 K H H 126.55 1.78 13.23 15.11 93.38 51.87 -66.79 -38.27 25.04 0.94 74.03 16.03 4.32 5.92 70.90 2.04 0.02 0.48 0.29 13 I H H 100.25 1.97 12.78 15.05 93.47 52.10 -67.09 -40.35 27.41 1.24 71.35 18.45 4.38 5.76 68.24 2.13 0.02 0.68 0.34 14 D H H 85.42 2.19 13.01 15.58 93.48 51.76 -66.80 -38.87 32.23 1.23 66.55 22.85 4.27 6.00 63.59 2.25 0.01 0.68 0.35 15 L H H 95.81 2.37 12.14 15.27 93.02 52.00 -66.75 -39.04 28.79 1.02 70.19 18.99 4.73 6.34 66.35 2.71 0.01 0.56 0.31 16 T H H 84.09 1.90 12.60 14.85 93.59 51.96 -67.75 -38.90 32.00 1.04 66.97 20.41 5.06 7.44 63.30 2.89 0.01 0.56 0.32 17 K H H 125.95 1.88 12.53 14.73 94.95 52.93 -69.78 -35.94 36.60 1.17 62.23 23.21 6.48 7.97 58.27 3.06 0.02 0.60 0.40 18 K H H 121.64 2.31 11.87 14.91 95.60 56.11 -69.49 -36.00 41.25 1.36 57.39 27.82 6.59 7.47 53.88 3.08 0.01 0.69 0.46 19 K H H 123.19 2.58 11.39 14.95 95.05 55.69 -69.45 -35.82 39.81 1.41 58.79 27.26 6.04 7.52 54.29 3.65 0.01 0.75 0.48 20 N H H 102.83 2.44 11.36 14.75 95.68 55.97 -71.60 -30.07 42.48 1.37 56.15 28.73 6.24 8.40 51.02 4.39 0.01 0.74 0.47 21 E H H 125.44 2.21 11.36 14.43 96.37 59.40 -72.42 -30.31 43.17 1.71 55.12 28.37 7.28 8.75 49.25 4.83 0.02 0.93 0.57 22 E C H 124.65 2.39 11.50 14.81 98.01 58.64 -75.11 -27.05 50.31 2.09 47.60 34.91 7.32 8.49 43.21 4.20 0.01 1.13 0.72 23 I C H 95.11 4.59 9.90 16.02 99.79 66.07 -76.35 -25.35 55.14 2.04 42.82 39.57 8.27 7.09 39.81 3.50 0.01 1.05 0.71 24 N C C 93.73 3.34 11.52 15.95 99.97 63.21 -78.21 -16.05 63.74 1.69 34.57 50.26 5.17 7.69 31.04 4.24 0.00 0.90 0.69 25 K H H 129.88 3.42 10.08 15.10 95.51 70.83 -69.35 -26.84 44.97 1.71 53.32 21.80 7.04 16.13 33.69 19.60 0.04 0.98 0.71 26 K H H 150.73 1.73 10.94 13.35 95.44 61.06 -73.14 -19.66 48.73 1.64 49.63 15.45 8.38 24.09 29.06 21.22 0.12 0.88 0.79 27 S C T 81.26 2.11 10.27 13.36 98.10 60.49 -85.67 -1.84 54.40 2.92 42.67 21.96 10.45 22.25 21.40 20.95 0.09 1.54 1.36 28 L C C 104.18 4.51 7.67 14.00 112.19 95.35 -87.72 123.15 71.46 8.17 20.38 44.82 15.68 10.91 12.92 7.44 0.08 4.00 4.16 29 E C C 137.75 2.05 9.74 13.23 115.45 -157.66 -96.16 133.14 80.24 8.32 11.44 60.58 10.39 8.50 7.69 4.13 0.01 5.09 3.61 30 E C C 135.64 3.24 8.71 13.86 113.94 -128.03 -89.04 131.30 81.63 6.44 11.94 58.64 11.86 10.72 7.22 4.88 0.01 3.79 2.87 31 D C C 97.12 3.50 8.05 13.40 114.48 -157.61 -95.69 129.56 83.82 2.85 13.33 52.35 15.84 15.63 6.79 6.42 0.00 1.44 1.53 32 D C C 116.06 2.11 8.55 12.03 104.30 -151.82 -89.37 35.40 77.84 2.24 19.93 39.11 19.99 19.11 8.19 11.28 0.01 1.01 1.30 33 E C C 144.51 1.57 8.68 11.23 103.85 115.07 -88.02 29.37 70.97 2.89 26.14 33.66 17.68 20.28 9.73 15.69 0.03 1.35 1.58 34 F C C 136.40 3.86 6.89 12.48 114.53 88.50 -96.13 122.19 64.79 4.37 30.84 37.81 12.27 15.03 9.08 21.50 0.02 2.31 1.99 35 E C C 139.32 2.10 9.07 12.62 111.10 -150.09 -90.60 133.25 68.11 4.04 27.85 36.03 13.73 18.96 7.91 19.50 0.02 2.24 1.61 36 D C C 114.87 1.96 9.15 12.62 112.20 -118.06 -87.82 128.51 71.95 5.41 22.65 35.53 18.38 19.02 6.31 15.63 0.03 2.98 2.13 37 F C C 121.02 5.29 7.09 14.17 115.85 -135.15 -99.27 128.37 90.50 5.80 3.70 59.15 29.45 2.18 2.18 1.44 0.00 3.06 2.54 38 P C C 97.18 2.31 10.41 14.00 110.85 -123.05 -72.29 141.57 80.83 6.83 12.33 66.58 7.12 6.89 5.88 6.32 0.00 4.23 2.99 39 I C C 118.59 3.90 7.51 13.30 114.20 -139.85 -97.68 129.84 68.95 7.35 23.69 41.37 14.78 13.28 7.68 15.67 0.03 4.07 3.13 40 D C C 108.10 2.43 9.09 13.19 113.69 -156.45 -96.39 130.34 70.98 6.52 22.49 42.10 16.07 13.32 6.57 15.75 0.02 3.95 2.22 41 T C C 105.48 2.00 9.28 12.68 111.17 -151.31 -96.35 113.47 74.57 5.54 19.89 50.76 12.15 11.39 7.03 13.19 0.01 3.26 2.21 42 W C C 152.72 5.01 6.87 13.60 114.60 -129.93 -91.56 130.02 82.69 4.50 12.81 61.85 13.77 6.61 8.22 4.73 0.00 2.28 2.53 43 A C C 77.45 2.10 9.63 12.92 111.30 -127.03 -79.36 142.73 82.52 2.42 15.06 62.82 9.26 9.96 10.10 5.27 0.00 1.28 1.31 44 N C T 126.09 1.83 9.46 12.52 105.56 -101.49 -77.57 106.73 66.14 1.69 32.17 21.54 15.93 29.40 20.78 10.54 0.07 0.81 0.93 45 G C H 52.64 2.94 9.71 14.00 104.46 17.27 68.31 3.22 59.58 2.38 38.05 21.46 14.29 25.02 25.10 11.71 0.12 1.24 1.08 46 E C H 124.46 3.37 9.61 14.56 107.87 96.80 -87.62 81.82 48.33 4.98 46.69 29.09 10.42 10.01 34.54 11.29 0.07 3.14 1.43 47 T H H 84.08 3.96 9.72 15.32 113.49 129.81 -94.40 128.10 42.34 11.42 46.24 28.06 7.65 8.28 36.29 8.69 0.13 8.53 2.37 48 I H H 104.93 4.51 9.24 15.49 109.86 -134.39 -85.64 125.81 40.11 13.75 46.14 26.71 7.66 7.86 37.66 6.89 0.18 10.23 2.83 49 K C H 136.24 2.94 9.87 14.41 111.08 -131.30 -90.14 122.20 49.94 8.36 41.70 32.11 8.81 10.16 34.74 6.25 0.10 5.84 1.99 50 S C C 78.18 3.14 9.12 13.88 107.29 -119.25 -77.51 110.51 62.22 3.90 33.88 30.91 10.14 21.86 26.43 6.92 0.07 2.30 1.37 51 N C T 122.33 1.97 9.48 12.62 103.66 38.57 -86.98 36.32 71.53 2.40 26.07 28.29 14.47 29.77 17.68 7.42 0.05 1.19 1.13 52 A C C 76.95 2.99 8.01 12.70 107.41 134.55 -83.38 79.48 77.01 2.52 20.47 34.94 19.31 23.46 11.99 7.80 0.02 1.18 1.30 53 V C C 115.22 1.86 8.45 11.64 106.68 85.51 -89.59 64.85 77.73 4.36 17.91 39.78 19.48 19.03 9.88 7.64 0.03 2.22 1.95 54 T C C 96.82 2.69 8.61 12.91 111.16 73.94 -94.01 110.56 77.94 5.41 16.65 44.67 17.26 16.30 8.61 7.91 0.02 3.10 2.13 55 Q C C 130.31 2.90 9.02 13.63 109.18 -147.35 -93.26 99.14 75.81 6.38 17.81 48.01 15.71 12.09 8.92 9.04 0.02 3.97 2.25 56 T C C 93.22 3.31 9.72 14.80 115.50 143.81 -99.45 130.61 72.15 8.66 19.19 45.59 15.32 11.47 9.03 10.20 0.03 5.81 2.55 57 N C C 101.96 4.57 9.86 16.10 110.46 -142.92 -94.52 112.02 70.78 10.67 18.55 50.26 10.61 9.74 8.44 10.23 0.02 7.52 3.17 58 I C C 107.50 4.65 10.27 16.61 110.39 -166.25 -95.75 97.35 68.81 11.67 19.52 47.46 11.81 9.10 10.54 9.41 0.04 7.70 3.93 59 W C C 149.65 5.45 8.86 15.98 115.81 85.61 -94.99 130.39 68.89 10.92 20.19 46.22 12.72 9.51 10.57 10.01 0.04 6.77 4.16 60 E C C 115.33 3.78 10.06 15.60 115.52 -138.50 -88.22 141.07 71.37 6.10 22.53 53.59 9.32 7.95 10.37 12.54 0.01 3.77 2.45 61 E C T 143.41 2.51 10.26 14.29 99.47 -131.94 -72.12 -19.05 71.56 3.31 25.13 20.10 14.47 37.55 9.53 14.85 0.07 1.83 1.60 62 N C T 109.64 2.48 10.95 14.54 106.69 45.51 -97.62 66.07 76.66 2.21 21.13 28.17 11.47 37.60 6.96 13.46 0.02 1.16 1.15 63 W C C 141.29 6.34 8.14 16.01 104.61 154.98 -82.31 24.77 78.55 3.13 18.32 43.00 11.65 24.44 6.20 11.41 0.01 1.55 1.73 64 D C C 101.06 2.95 10.35 14.72 104.52 96.73 -89.84 43.96 82.53 3.68 13.79 41.99 15.82 25.39 4.87 8.22 0.01 1.77 1.93 65 D C C 96.49 3.77 8.90 14.47 106.82 116.86 -88.36 68.61 80.51 3.74 15.75 49.27 18.39 12.91 6.96 8.57 0.01 1.77 2.12 66 V C C 105.79 2.89 9.03 13.52 105.61 126.16 -89.94 45.30 79.25 3.50 17.25 44.89 19.05 15.65 9.29 7.59 0.02 1.66 1.87 67 E C C 129.25 2.76 9.33 13.70 108.64 126.71 -89.34 100.40 79.21 3.55 17.24 52.29 13.15 13.63 9.51 7.67 0.01 1.76 1.97 68 V C C 100.92 3.80 9.10 14.67 105.18 145.62 -88.20 17.79 74.45 2.09 23.46 31.58 13.46 30.39 13.25 9.09 0.04 1.01 1.17 69 D C T 111.90 2.04 11.23 14.18 104.40 60.50 -88.98 38.01 75.16 1.81 23.03 29.30 14.89 32.09 13.08 8.72 0.04 0.82 1.07 70 D C C 72.88 6.33 9.38 17.45 108.58 137.99 -87.60 112.44 71.20 1.93 26.88 45.26 18.03 8.14 21.93 4.73 0.01 0.73 1.15 71 D H H 100.00 2.24 13.78 16.47 95.92 -161.01 -69.47 -28.72 29.58 0.70 69.72 17.22 6.70 6.87 66.76 1.85 0.02 0.28 0.31 72 F H H 92.28 5.79 13.00 20.23 93.38 57.53 -66.30 -39.43 8.02 0.15 91.83 3.86 1.19 3.07 90.73 1.01 0.01 0.07 0.06 73 T H H 51.82 6.41 13.05 21.25 92.31 52.83 -64.56 -41.06 2.59 0.05 97.36 1.35 0.34 0.97 96.72 0.58 0.00 0.03 0.01 74 N H H 89.40 2.02 16.63 18.21 92.07 50.73 -64.96 -40.39 0.98 0.02 99.00 0.44 0.13 0.42 98.72 0.28 0.00 0.01 0.00 75 E H H 104.49 2.37 16.81 19.05 91.91 50.31 -65.15 -41.22 0.55 0.01 99.44 0.21 0.06 0.26 99.34 0.13 0.00 0.00 0.00 76 L H H 63.10 7.20 14.58 23.13 91.97 50.21 -64.55 -41.97 0.37 0.00 99.63 0.13 0.03 0.17 99.60 0.07 0.00 0.00 0.00 77 K H H 105.03 3.83 16.45 21.13 91.74 51.41 -63.53 -41.21 0.28 0.00 99.72 0.07 0.02 0.15 99.71 0.04 0.00 0.00 0.00 78 A H H 55.93 1.87 17.42 18.47 91.30 50.36 -63.66 -41.66 0.28 0.00 99.72 0.04 0.02 0.18 99.72 0.04 0.00 0.00 0.00 79 E H H 87.77 3.49 16.52 20.66 91.58 49.66 -64.79 -41.48 0.36 0.00 99.64 0.04 0.02 0.24 99.64 0.04 0.00 0.00 0.00 80 L H H 63.99 5.94 13.87 21.51 91.70 50.30 -64.39 -41.08 0.50 0.00 99.50 0.08 0.04 0.31 99.50 0.07 0.00 0.00 0.00 81 D H H 82.12 1.97 16.01 17.68 91.38 50.73 -63.99 -40.95 0.99 0.00 99.01 0.15 0.07 0.65 99.02 0.12 0.00 0.00 0.00 82 R H H 133.98 1.49 15.35 16.08 91.87 50.25 -65.16 -40.93 1.72 0.01 98.27 0.22 0.12 1.24 98.19 0.22 0.00 0.00 0.00 83 Y H H 106.32 3.43 12.49 17.30 92.06 49.61 -65.67 -40.58 2.46 0.01 97.53 0.52 0.24 1.51 97.36 0.34 0.00 0.00 0.00 84 K H H 114.06 2.47 11.82 15.36 92.11 51.52 -64.88 -39.68 5.36 0.03 94.61 1.25 0.54 3.32 94.03 0.82 0.01 0.01 0.02 85 R H H 158.04 1.12 11.63 12.60 92.49 51.04 -66.71 -37.33 10.72 0.06 89.22 1.93 1.09 7.31 88.01 1.59 0.02 0.02 0.03 86 E H H 138.41 1.24 10.23 11.82 93.61 52.04 -70.84 -29.24 24.05 0.17 75.78 4.47 2.88 16.59 74.16 1.70 0.04 0.06 0.10 87 N C H 115.31 1.95 8.23 11.53 99.07 53.51 -85.20 -2.91 57.70 0.39 41.91 24.98 2.36 28.73 41.88 1.65 0.01 0.16 0.23 88 Q C C 132.77 2.25 10.14 13.79 103.76 113.12 -79.37 47.42 99.62 0.12 0.26 98.53 0.46 0.67 0.20 0.04 0.00 0.07 0.04