# 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 127.15 3.39 10.74 15.79 117.21 -165.05 -97.93 138.94 99.92 0.05 0.03 99.82 0.08 0.05 0.01 0.00 0.00 0.02 0.01 1 A C C 78.06 3.74 8.47 14.04 112.83 -115.72 -77.90 143.14 89.72 2.25 8.03 85.77 1.06 3.90 5.79 1.34 0.00 1.25 0.88 2 R C C 169.00 2.23 9.18 13.13 111.96 -132.20 -89.20 126.82 83.01 5.12 11.88 65.32 11.24 5.78 10.09 2.57 0.00 3.06 1.93 3 R C C 156.15 3.42 9.54 14.92 115.34 -142.86 -94.03 133.17 78.63 7.76 13.60 64.86 9.41 3.60 12.47 2.31 0.01 4.38 2.97 4 T C C 63.74 5.91 9.51 17.24 118.21 -147.81 -92.66 157.12 78.33 4.05 17.62 68.27 6.28 2.76 17.74 1.53 0.00 2.14 1.28 5 W H H 180.40 1.93 13.18 15.67 93.37 -115.69 -63.48 -36.38 18.36 0.78 80.85 10.89 4.40 4.79 77.26 1.97 0.03 0.40 0.27 6 L H H 83.75 5.29 12.93 19.54 92.84 51.99 -66.03 -39.61 7.97 0.19 91.84 2.56 1.34 4.62 88.36 2.88 0.06 0.11 0.07 7 G H H 21.75 8.35 11.80 22.10 92.32 52.54 -64.20 -40.12 5.10 0.10 94.79 1.49 0.73 3.10 90.92 3.62 0.03 0.07 0.03 8 D H H 90.65 2.65 15.58 18.65 93.22 51.05 -67.96 -37.05 5.06 0.08 94.85 1.14 0.65 3.36 89.89 4.83 0.04 0.05 0.03 9 I H H 95.03 3.62 15.36 19.60 93.94 48.43 -71.09 -37.23 11.95 0.10 87.96 1.03 1.05 10.09 83.41 4.22 0.10 0.05 0.05 10 L H H 64.61 9.45 13.01 23.51 95.68 48.18 -79.79 -24.71 20.06 0.12 79.82 2.08 2.61 15.88 76.35 2.86 0.09 0.04 0.09 11 R H H 122.78 6.16 14.49 22.14 93.71 74.35 -61.71 -42.93 15.89 0.18 83.92 4.20 2.02 8.45 53.34 31.80 0.02 0.10 0.07 12 P H H 79.07 2.46 16.65 18.94 93.00 49.47 -66.01 -36.09 14.52 0.18 85.30 3.27 1.49 8.06 54.31 32.69 0.02 0.11 0.05 13 L H H 71.59 6.24 14.32 21.97 93.45 51.56 -68.20 -36.37 12.65 0.25 87.10 3.30 1.81 6.64 55.77 32.22 0.03 0.15 0.08 14 N H H 58.68 9.09 12.44 22.92 93.61 54.13 -67.38 -35.60 26.62 1.01 72.37 12.75 4.97 9.84 54.57 16.84 0.06 0.52 0.44 15 S H H 68.28 2.83 14.27 17.84 93.24 57.45 -67.07 -34.59 31.54 0.87 67.59 8.31 4.77 17.35 43.79 24.79 0.13 0.46 0.40 16 E H H 127.82 2.34 13.39 16.40 95.05 54.13 -73.83 -23.77 36.18 1.47 62.35 8.62 5.35 20.68 39.49 24.16 0.21 0.82 0.67 17 Y C T 128.77 5.80 10.40 17.67 99.78 59.66 -83.34 -3.63 55.07 1.74 43.19 8.96 9.87 34.70 25.12 19.06 0.26 0.87 1.15 18 G C T 53.24 3.14 12.72 17.16 101.09 -102.14 70.35 8.97 80.17 1.67 18.15 19.70 12.99 47.87 10.03 7.62 0.02 0.89 0.87 19 K C C 136.21 3.34 12.09 16.96 106.91 101.70 -91.50 45.71 77.32 9.88 12.80 44.04 16.63 17.09 6.36 6.29 0.04 5.98 3.56 20 V C C 89.78 5.67 10.15 17.49 112.14 112.50 -94.13 119.34 74.13 18.63 7.24 44.84 21.56 7.50 4.44 3.09 0.06 9.33 9.18 21 A C C 65.71 4.47 10.86 17.07 116.68 -120.16 -97.05 138.51 86.39 11.00 2.61 56.93 24.34 5.36 1.17 1.53 0.00 7.10 3.57 22 P C C 101.15 3.00 11.75 16.21 109.64 -103.62 -69.58 140.63 90.26 3.55 6.20 34.64 21.95 34.49 1.66 4.05 0.00 2.05 1.15 23 G C C 54.40 2.77 11.81 15.89 109.18 19.94 85.32 3.92 87.36 4.05 8.59 34.44 21.77 32.12 2.41 5.49 0.01 2.09 1.67 24 W C C 164.93 4.09 10.44 16.06 105.42 55.81 -89.79 22.05 77.47 6.60 15.93 31.35 20.75 26.82 5.43 9.19 0.06 3.13 3.26 25 G C C 43.76 4.66 12.73 18.68 109.54 -13.67 69.70 -6.02 78.65 6.45 14.90 33.10 21.98 25.00 6.17 7.68 0.05 3.22 2.82 26 T C C 69.78 6.31 11.69 19.49 103.58 84.41 -87.72 2.54 70.92 4.98 24.10 47.65 14.14 9.14 17.71 6.36 0.04 2.20 2.76 27 T H H 74.79 4.67 12.72 18.90 95.87 91.61 -64.78 -40.54 18.30 0.39 81.31 10.07 5.69 3.61 79.09 1.25 0.01 0.13 0.14 28 P H H 90.46 1.80 14.78 16.32 93.02 51.00 -65.45 -38.16 8.43 0.26 91.31 3.41 1.31 4.11 89.32 1.61 0.02 0.15 0.08 29 L H H 90.86 3.10 14.04 17.96 92.82 49.20 -67.22 -39.98 4.98 0.32 94.70 2.25 0.67 2.31 92.94 1.52 0.01 0.23 0.08 30 M H H 74.90 6.62 12.50 20.81 92.50 51.90 -65.27 -40.45 2.00 0.10 97.89 1.08 0.26 0.73 97.34 0.51 0.00 0.07 0.02 31 A H H 59.72 2.69 14.97 18.24 92.26 51.58 -64.30 -40.95 1.21 0.07 98.72 0.56 0.13 0.50 98.54 0.21 0.00 0.05 0.01 32 V H H 91.18 1.55 15.98 16.66 92.29 49.47 -65.18 -41.27 0.65 0.05 99.30 0.25 0.06 0.30 99.22 0.13 0.00 0.04 0.00 33 F H H 100.83 4.04 14.67 19.82 92.35 49.50 -65.68 -41.02 0.41 0.03 99.56 0.17 0.04 0.18 99.51 0.08 0.00 0.02 0.00 34 M H H 90.07 4.53 14.50 20.21 92.21 50.96 -64.71 -40.53 0.37 0.01 99.62 0.10 0.02 0.19 99.62 0.05 0.00 0.01 0.00 35 G H H 39.44 1.97 15.63 17.40 91.79 50.95 -63.70 -40.95 0.32 0.00 99.68 0.07 0.02 0.17 99.68 0.05 0.00 0.00 0.00 36 L H H 94.97 2.03 15.71 17.51 91.92 50.12 -64.87 -40.85 0.26 0.00 99.74 0.04 0.01 0.16 99.73 0.06 0.00 0.00 0.00 37 F H H 101.23 4.36 14.37 19.88 92.16 50.17 -65.10 -40.75 0.25 0.00 99.75 0.03 0.01 0.17 99.74 0.06 0.00 0.00 0.00 38 L H H 89.52 3.08 14.99 18.67 91.97 50.85 -64.23 -40.75 0.28 0.00 99.72 0.03 0.01 0.19 99.70 0.07 0.00 0.00 0.00 39 V H H 87.74 1.69 15.99 17.01 91.87 50.14 -64.16 -41.68 0.28 0.00 99.72 0.03 0.01 0.19 99.69 0.07 0.00 0.00 0.00 40 F H H 110.49 2.86 15.31 18.67 92.00 49.77 -65.11 -40.93 0.31 0.00 99.69 0.04 0.01 0.20 99.67 0.08 0.00 0.00 0.00 41 L H H 82.07 4.24 14.53 19.79 91.98 50.79 -64.66 -40.80 0.20 0.00 99.80 0.02 0.01 0.13 99.78 0.06 0.00 0.00 0.00 42 L H H 88.98 2.66 15.61 18.61 91.95 50.73 -64.54 -40.94 0.24 0.00 99.75 0.03 0.01 0.16 99.72 0.08 0.00 0.00 0.00 43 I H H 91.67 2.29 16.05 18.23 92.06 49.75 -64.53 -41.85 0.36 0.01 99.64 0.04 0.02 0.24 99.61 0.08 0.00 0.00 0.00 44 I H H 84.13 3.47 15.30 19.57 92.08 49.43 -64.67 -41.59 0.36 0.00 99.64 0.05 0.02 0.22 99.59 0.11 0.00 0.00 0.00 45 L H H 79.05 4.09 14.50 19.71 92.00 50.60 -64.38 -41.33 0.45 0.00 99.54 0.06 0.02 0.30 99.33 0.28 0.00 0.00 0.00 46 E H H 104.83 2.71 14.90 18.22 92.10 50.70 -64.67 -40.24 1.19 0.01 98.80 0.12 0.06 0.91 98.37 0.53 0.00 0.01 0.00 47 I H H 99.13 2.17 15.00 17.26 92.88 48.74 -65.94 -40.80 2.96 0.02 97.02 0.30 0.20 2.30 96.39 0.78 0.00 0.01 0.00 48 Y H H 131.76 2.93 13.95 17.45 93.31 47.96 -68.47 -37.13 9.37 0.10 90.54 1.37 1.06 6.92 89.44 1.10 0.03 0.04 0.05 49 N H H 84.55 4.32 12.35 18.14 96.43 50.36 -84.76 -13.00 32.72 0.50 66.77 8.69 4.45 20.28 63.66 2.38 0.05 0.21 0.28 50 S H H 64.19 3.62 12.24 17.23 95.69 75.78 -72.57 -25.42 46.73 1.01 52.26 15.98 9.26 22.96 45.00 5.74 0.08 0.47 0.52 51 T H H 79.89 3.25 11.74 16.23 97.31 70.23 -76.26 -24.19 43.74 1.96 54.30 18.21 8.93 18.24 42.96 9.63 0.13 1.07 0.83 52 L H H 107.27 2.82 10.42 14.63 96.41 71.55 -71.90 -28.01 37.09 4.45 58.45 15.26 8.44 14.85 42.23 14.64 0.37 2.87 1.33 53 I H H 119.18 2.28 10.45 13.82 99.40 56.31 -77.22 -25.33 36.42 9.81 53.77 15.71 7.78 14.54 38.06 13.90 0.76 7.01 2.24 54 L H H 113.80 2.86 9.05 13.42 102.79 60.66 -82.06 2.94 41.00 11.24 47.76 16.34 9.77 16.82 32.38 13.04 1.21 7.10 3.34 55 D C T 112.17 1.96 9.52 12.82 103.81 75.67 -84.09 64.99 71.36 2.74 25.90 11.78 10.27 47.76 18.61 8.52 0.14 1.62 1.32 56 G C T 64.32 0.88 11.10 12.03 99.06 -60.49 77.23 8.56 91.31 1.69 7.00 20.37 14.18 57.42 3.08 3.33 0.00 1.06 0.55 57 V C C 85.38 5.16 7.28 14.47 116.15 136.50 -93.58 133.17 88.62 9.45 1.93 75.02 10.80 2.44 1.08 0.90 0.00 6.04 3.72 58 N C C 131.51 1.05 12.61 13.77 112.15 -141.59 -94.35 120.36 88.36 10.30 1.34 82.35 4.04 1.85 0.63 0.60 0.00 7.76 2.78 59 V C C 81.21 8.70 7.23 16.92 118.73 -170.44 -109.03 132.40 89.66 8.34 2.00 81.48 6.41 1.72 1.18 0.76 0.00 5.54 2.90 60 S C C 69.97 2.49 12.08 15.68 116.64 -162.12 -107.22 127.11 93.29 3.55 3.16 87.32 4.16 2.05 2.00 0.93 0.00 1.98 1.57 61 W H G 164.47 5.14 8.72 15.67 95.12 -152.05 -68.27 -27.51 39.63 1.32 59.04 16.63 6.77 16.75 22.62 35.94 0.02 0.75 0.52 62 K H G 160.79 1.02 10.81 12.10 94.47 63.16 -70.52 -25.40 34.76 0.88 64.37 8.15 5.59 20.57 23.24 41.57 0.03 0.50 0.36 63 A H G 79.83 2.23 8.68 12.27 97.61 60.57 -79.00 -13.98 33.34 1.44 65.22 11.14 6.08 16.74 21.40 43.24 0.02 0.86 0.51 64 L C C 112.04 3.82 7.34 12.82 101.71 67.68 -84.55 2.75 56.00 1.97 42.03 38.33 3.96 15.47 19.29 20.80 0.01 1.07 1.06 65 G C C 54.01 2.49 12.19 15.94 107.83 -121.53 78.46 34.88 99.85 0.09 0.06 99.54 0.19 0.17 0.03 0.01 0.00 0.04 0.02