# 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 F C C 122.16 7.00 12.98 21.19 114.01 -153.30 -94.72 124.82 99.49 0.48 0.03 99.44 0.15 0.08 0.01 0.00 0.00 0.26 0.06 1 I C C 107.86 5.35 10.29 17.20 110.64 -165.55 -93.53 113.91 87.32 7.24 5.43 75.58 3.52 8.10 3.94 1.29 0.00 4.62 2.94 2 G C C 47.24 3.42 10.87 15.67 116.91 9.36 -57.90 153.72 86.14 4.01 9.85 48.03 25.02 13.28 7.61 2.42 0.01 2.04 1.60 3 S C H 74.84 2.75 11.03 14.87 110.89 -40.13 -81.30 141.40 63.45 1.06 35.49 31.81 20.05 11.01 33.56 2.65 0.02 0.41 0.49 4 P H H 93.91 2.67 12.76 16.18 99.11 -25.83 -71.81 -27.84 41.57 0.55 57.88 22.85 8.12 10.23 56.30 2.02 0.01 0.22 0.25 5 T H H 62.39 7.36 12.48 21.06 95.45 61.92 -67.46 -38.37 12.79 0.14 87.07 6.95 2.26 3.74 85.80 1.14 0.00 0.06 0.05 6 N H H 70.79 8.32 13.68 23.01 93.34 54.15 -65.83 -39.15 4.49 0.06 95.45 2.42 0.63 1.47 94.79 0.63 0.00 0.03 0.02 7 L H H 100.17 2.55 17.05 19.60 92.54 51.03 -65.71 -40.78 1.29 0.02 98.69 0.56 0.16 0.54 98.41 0.31 0.00 0.01 0.00 8 I H H 85.96 3.84 17.47 21.82 92.32 49.31 -65.24 -42.16 0.54 0.01 99.45 0.21 0.06 0.23 99.35 0.14 0.00 0.00 0.00 9 M H H 61.28 11.15 15.64 27.59 92.35 49.55 -64.95 -42.00 0.42 0.01 99.57 0.14 0.04 0.20 99.53 0.09 0.00 0.00 0.00 10 V H H 68.12 6.96 17.54 25.45 92.12 49.75 -64.30 -41.79 0.50 0.01 99.49 0.14 0.04 0.26 99.49 0.07 0.00 0.00 0.00 11 T H H 80.02 1.99 20.82 21.36 91.84 48.93 -64.85 -41.28 0.53 0.00 99.47 0.10 0.04 0.29 99.51 0.05 0.00 0.00 0.00 12 S H H 43.37 6.41 18.47 25.75 92.36 49.54 -65.59 -41.24 0.73 0.00 99.27 0.14 0.05 0.42 99.33 0.06 0.00 0.00 0.00 13 T H H 32.80 13.56 16.13 30.30 92.23 50.32 -65.01 -41.76 0.83 0.00 99.17 0.12 0.06 0.53 99.22 0.07 0.00 0.00 0.00 14 S H H 55.31 4.79 19.47 24.72 91.74 51.09 -63.64 -41.52 0.70 0.00 99.29 0.10 0.05 0.44 99.34 0.08 0.00 0.00 0.00 15 L H H 97.10 2.10 20.95 21.80 91.91 49.55 -64.71 -41.63 0.50 0.00 99.50 0.08 0.03 0.30 99.47 0.11 0.00 0.00 0.00 16 M H H 64.58 9.24 17.29 27.39 92.03 49.73 -64.95 -41.77 0.55 0.01 99.44 0.09 0.04 0.37 99.26 0.23 0.00 0.00 0.00 17 L H H 63.56 10.48 16.82 27.96 92.00 50.21 -64.25 -41.51 0.80 0.01 99.19 0.07 0.04 0.62 98.93 0.33 0.00 0.00 0.00 18 F H H 122.22 2.48 19.42 21.34 91.95 49.38 -64.50 -41.60 2.07 0.02 97.91 0.18 0.13 1.64 97.45 0.58 0.01 0.01 0.00 19 A H H 57.38 3.24 18.19 21.58 92.01 50.13 -65.20 -40.24 4.73 0.04 95.23 0.59 0.44 3.54 94.10 1.29 0.02 0.02 0.01 20 G H H 21.02 10.55 14.16 25.88 92.57 52.27 -64.99 -39.77 10.81 0.09 89.09 1.53 1.09 8.15 84.96 4.13 0.05 0.04 0.05 21 R H H 121.82 6.88 16.19 23.95 92.90 51.19 -67.36 -35.65 13.42 0.14 86.44 1.69 1.38 10.35 80.62 5.71 0.09 0.08 0.07 22 F H H 138.90 2.71 16.51 19.51 94.71 46.56 -75.78 -28.54 19.31 0.33 80.35 2.56 2.39 14.68 72.79 7.02 0.21 0.18 0.18 23 G H H 43.54 5.03 15.10 20.96 98.90 50.23 -81.05 -20.11 39.69 0.70 59.62 5.27 5.09 29.63 53.10 5.93 0.23 0.35 0.39 24 L C H 88.11 7.53 13.27 21.70 101.35 52.06 -93.94 -3.37 58.80 3.24 37.97 16.59 17.81 27.37 29.14 5.45 0.44 1.26 1.94 25 A C C 47.65 8.97 11.47 21.80 116.79 104.67 -82.08 144.01 72.23 2.40 25.37 34.60 25.57 12.85 16.87 7.69 0.05 0.95 1.43 26 P C C 79.90 5.09 13.07 19.57 109.65 -102.80 -67.89 146.11 64.91 1.13 33.95 30.40 12.69 22.40 20.36 12.92 0.01 0.53 0.68 27 S C H 77.93 3.58 11.89 16.88 102.19 -109.81 -75.13 5.30 53.15 2.09 44.76 22.25 11.95 19.83 26.79 16.93 0.10 1.01 1.14 28 A C H 70.81 4.38 11.02 16.91 103.19 66.68 -80.22 -1.30 51.57 3.03 45.40 23.08 13.30 16.41 29.43 14.64 0.18 1.48 1.47 29 N C C 94.85 5.28 11.05 17.72 104.85 65.03 -87.57 53.69 56.98 2.60 40.43 31.38 13.86 12.73 27.35 12.12 0.06 1.21 1.29 30 R C H 149.17 3.99 12.09 17.62 99.32 73.26 -71.52 -15.51 56.73 1.63 41.64 18.82 11.55 26.94 27.55 13.29 0.11 0.84 0.91 31 K C T 128.79 4.07 13.72 18.93 100.40 56.03 -81.93 14.85 58.29 2.23 39.48 21.77 10.82 26.58 25.35 13.03 0.11 1.14 1.21 32 A C C 48.99 10.11 10.52 21.44 101.02 99.39 -74.52 -18.23 59.99 3.25 36.75 31.85 12.00 16.91 23.78 12.16 0.05 1.63 1.62 33 T C C 89.29 5.16 13.44 19.75 101.38 61.44 -89.42 1.93 66.81 3.38 29.82 32.93 13.49 21.25 17.59 11.26 0.05 1.61 1.80 34 A C T 72.23 4.31 12.91 18.75 107.64 102.01 -83.90 96.99 76.73 2.05 21.22 25.21 19.20 33.40 9.65 10.35 0.03 0.95 1.22 35 G C C 46.66 5.19 13.53 20.00 113.58 -13.78 88.85 -2.46 87.11 2.05 10.84 34.60 21.42 31.96 3.16 6.86 0.00 1.00 1.00 36 L C C 87.13 9.85 11.07 21.60 112.48 -38.94 -89.84 127.45 88.27 5.95 5.78 68.69 14.34 5.10 2.10 3.74 0.00 3.44 2.59 37 K C C 138.39 3.43 15.43 20.33 114.66 -150.21 -93.35 128.68 83.86 13.00 3.13 75.10 5.78 2.42 1.47 1.64 0.00 7.59 5.99 38 L C C 85.05 10.99 9.83 21.30 115.78 -154.48 -94.28 131.62 83.63 12.00 4.36 70.95 8.83 3.19 2.02 2.42 0.00 7.46 5.12 39 E C C 122.33 3.63 13.12 18.26 118.54 -151.70 -97.72 140.69 83.19 11.00 5.81 64.89 12.52 5.51 2.24 3.63 0.00 7.27 3.93 40 A C C 76.68 4.47 10.91 17.24 112.02 -112.30 -76.06 136.92 83.51 8.53 7.96 60.30 14.30 8.79 2.44 5.66 0.00 5.69 2.82 41 R C C 141.21 5.48 8.99 16.17 113.48 -135.88 -89.35 134.83 85.69 6.90 7.41 58.93 15.55 10.84 2.06 5.62 0.00 4.08 2.92 42 D C C 110.68 2.52 10.23 14.29 109.42 -142.82 -92.24 97.07 86.77 6.54 6.69 57.52 16.84 11.85 1.67 5.37 0.00 3.47 3.28 43 S C T 86.54 2.46 9.79 13.61 102.03 -77.96 -85.60 7.57 88.70 2.17 9.12 19.87 22.26 46.61 1.49 7.56 0.00 1.13 1.08 44 G C T 57.53 2.18 11.09 14.33 101.46 -50.38 80.41 1.32 89.53 1.92 8.55 17.01 23.86 48.56 1.18 7.47 0.00 1.08 0.84 45 L C C 100.41 5.36 9.54 16.54 113.94 85.16 -93.96 128.58 78.81 13.57 7.63 43.26 19.59 16.15 1.61 6.37 0.02 7.57 5.44 46 Q C C 118.11 4.41 11.69 17.88 113.41 -156.58 -97.36 125.55 76.97 18.47 4.56 49.50 19.22 7.93 1.53 3.28 0.02 10.65 7.87 47 T C C 81.48 6.71 11.27 19.25 111.64 -154.18 -93.51 128.49 84.44 12.63 2.94 53.76 17.60 13.38 0.69 2.37 0.00 8.50 3.70 48 G C C 56.58 2.92 14.18 18.28 102.60 -113.65 42.90 8.39 92.35 6.54 1.11 43.66 38.40 10.65 0.18 1.11 0.00 3.93 2.07 49 D C C 64.20 8.97 10.00 20.37 115.28 126.37 -93.39 126.48 95.01 4.63 0.36 72.05 21.22 1.56 0.11 0.28 0.00 2.13 2.66 50 P C T 99.03 4.04 13.38 18.87 97.57 -134.90 -67.43 -17.05 95.30 1.49 3.21 22.72 17.50 54.87 0.40 3.08 0.00 0.82 0.59 51 A C T 67.22 5.93 14.71 21.56 99.49 58.32 -84.40 -2.91 94.65 1.70 3.65 13.57 21.31 59.50 0.44 3.50 0.00 0.96 0.72 52 G C C 29.13 9.17 16.68 26.74 120.07 -115.06 89.71 14.97 93.78 4.22 2.00 50.46 35.53 7.71 0.37 1.78 0.00 2.02 2.13 53 F C C 53.85 17.60 13.20 30.19 118.28 -58.86 -92.19 138.14 87.99 11.51 0.50 78.35 7.91 0.57 0.31 0.20 0.00 3.89 8.77 54 T C C 52.58 6.85 21.57 28.64 127.39 -150.64 -99.24 170.99 89.55 9.73 0.72 82.47 6.03 0.26 0.70 0.10 0.00 2.10 8.33 55 L H H 86.77 10.43 16.98 28.01 91.27 -97.78 -59.57 -37.18 0.95 0.00 99.05 0.11 0.12 0.59 99.04 0.14 0.00 0.00 0.00 56 A H H 58.22 4.73 21.21 26.35 91.88 53.26 -64.37 -40.90 0.36 0.00 99.64 0.04 0.02 0.23 99.57 0.13 0.00 0.00 0.00 57 D H H 38.58 13.65 19.65 33.44 91.88 49.94 -65.38 -40.86 0.11 0.00 99.89 0.02 0.01 0.06 99.81 0.10 0.00 0.00 0.00 58 T H H 27.95 17.77 19.49 36.48 92.34 50.28 -64.53 -42.91 0.07 0.00 99.93 0.01 0.00 0.04 99.91 0.04 0.00 0.00 0.00 59 L H H 75.49 8.34 23.84 32.32 91.76 49.26 -64.42 -41.86 0.13 0.00 99.87 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 60 A H H 46.42 6.38 24.58 31.29 91.68 49.85 -63.82 -42.20 0.55 0.00 99.45 0.04 0.02 0.41 99.44 0.10 0.00 0.00 0.00 61 C H H 30.79 14.82 22.54 37.00 91.62 49.18 -64.96 -41.58 1.77 0.00 98.23 0.08 0.07 1.45 98.16 0.23 0.00 0.00 0.00 62 G H H 15.12 16.67 21.31 37.35 92.10 51.60 -63.64 -42.00 4.93 0.00 95.06 0.26 0.24 4.04 95.08 0.37 0.00 0.00 0.00 63 V H H 67.48 7.14 24.94 32.31 91.89 49.33 -64.63 -42.21 4.66 0.02 95.33 0.55 0.46 3.43 95.15 0.38 0.01 0.00 0.01 64 V H H 67.77 6.15 25.80 31.84 91.74 49.14 -64.41 -42.63 1.29 0.01 98.70 0.26 0.16 0.80 98.61 0.18 0.00 0.00 0.00 65 G H H 12.67 15.65 20.13 35.95 91.50 50.98 -63.61 -42.17 0.96 0.00 99.03 0.23 0.09 0.58 98.92 0.17 0.00 0.00 0.00 66 H H H 63.83 14.12 21.19 34.73 91.90 50.80 -64.02 -41.84 0.81 0.01 99.18 0.18 0.07 0.53 99.03 0.17 0.00 0.00 0.00 67 I H H 92.54 4.24 24.28 28.39 91.66 49.33 -64.10 -42.77 0.41 0.00 99.58 0.08 0.03 0.26 99.53 0.10 0.00 0.00 0.00 68 I H H 81.29 5.60 23.80 29.28 91.94 47.73 -64.76 -42.33 0.39 0.00 99.61 0.06 0.02 0.25 99.60 0.07 0.00 0.00 0.00 69 G H H 12.84 15.12 18.39 34.05 92.00 50.68 -64.02 -42.17 0.50 0.00 99.50 0.06 0.02 0.34 99.51 0.07 0.00 0.00 0.00 70 V H H 57.95 9.73 20.38 30.53 91.71 50.02 -63.28 -42.65 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 71 G H H 37.29 3.20 21.78 24.39 91.80 50.32 -64.10 -42.26 0.19 0.00 99.81 0.02 0.01 0.13 99.81 0.05 0.00 0.00 0.00 72 V H H 63.44 6.38 19.62 26.55 91.96 48.89 -64.95 -42.45 0.28 0.00 99.72 0.02 0.01 0.19 99.70 0.07 0.00 0.00 0.00 73 V H H 44.05 11.30 16.78 28.99 92.16 48.80 -64.51 -42.61 0.44 0.00 99.56 0.04 0.02 0.30 99.52 0.11 0.00 0.00 0.00 74 L H H 80.07 4.44 17.43 22.63 91.69 49.50 -63.34 -41.13 1.34 0.00 98.66 0.13 0.08 0.97 98.44 0.38 0.00 0.00 0.00 75 G H H 39.72 2.47 15.79 18.49 92.07 50.90 -64.29 -40.07 6.38 0.01 93.61 0.53 0.40 5.18 92.82 1.05 0.01 0.00 0.00 76 L H H 87.97 5.27 13.51 19.95 93.22 50.06 -69.24 -35.86 11.66 0.05 88.29 1.54 1.23 8.72 86.59 1.86 0.02 0.02 0.02 77 K H H 125.68 4.46 12.63 18.11 94.80 52.76 -71.22 -30.06 23.02 0.28 76.71 5.00 3.73 14.95 72.82 3.18 0.06 0.12 0.15 78 N H H 120.90 1.73 10.92 13.58 99.87 54.63 -80.93 -5.33 44.17 0.67 55.16 13.52 5.06 26.24 51.28 3.20 0.04 0.29 0.36 79 I C C 123.43 2.63 9.40 13.57 102.04 74.65 -85.43 0.58 61.90 0.62 37.48 38.55 2.18 20.02 36.76 1.87 0.00 0.25 0.37 80 G C C 53.31 2.73 13.05 17.00 110.29 -81.88 83.54 2.47 99.96 0.02 0.02 99.83 0.07 0.07 0.01 0.00 0.00 0.01 0.00