# 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 102.29 7.09 12.02 20.27 112.37 -161.54 -89.89 128.90 99.77 0.09 0.14 99.67 0.10 0.08 0.10 0.01 0.00 0.04 0.02 1 E C C 122.62 3.80 11.18 16.48 107.16 -140.49 -82.08 112.44 67.53 1.86 30.60 61.10 1.24 5.11 29.00 1.89 0.00 0.96 0.69 2 Q C H 118.74 3.44 10.77 15.64 102.59 58.05 -77.40 -15.21 53.06 1.80 45.14 37.98 7.01 7.60 43.20 2.67 0.01 0.94 0.58 3 N H H 92.97 3.89 12.94 17.95 101.52 67.49 -76.95 -17.46 44.14 1.37 54.49 32.81 5.75 5.98 51.86 2.46 0.01 0.69 0.44 4 T H H 56.40 9.38 12.93 23.08 95.62 71.78 -68.67 -37.14 21.00 0.75 78.25 15.24 3.29 3.78 75.14 1.92 0.01 0.42 0.20 5 T H H 61.42 7.97 15.09 23.96 93.30 53.27 -65.97 -39.85 9.98 0.44 89.59 6.40 1.64 2.65 87.57 1.37 0.01 0.27 0.10 6 Q H H 102.14 3.04 18.18 21.32 93.00 51.42 -66.29 -40.28 6.52 0.42 93.06 3.89 1.05 2.19 91.26 1.23 0.01 0.28 0.09 7 V H H 60.74 6.42 17.62 25.09 92.50 50.01 -65.44 -42.69 4.52 0.31 95.18 2.38 0.67 1.74 94.14 0.80 0.01 0.20 0.05 8 F H H 58.11 12.82 16.81 30.01 92.36 49.26 -65.51 -41.49 3.08 0.14 96.78 1.53 0.44 1.25 96.13 0.53 0.00 0.08 0.03 9 S H H 44.66 8.37 18.73 27.85 92.07 51.06 -64.24 -41.23 3.17 0.08 96.75 1.31 0.38 1.44 96.36 0.44 0.00 0.04 0.02 10 D H H 78.57 3.47 21.61 24.79 92.19 49.63 -65.89 -40.30 3.24 0.06 96.70 1.13 0.38 1.70 96.34 0.40 0.00 0.03 0.02 11 L H H 53.69 8.94 19.95 29.70 92.22 50.00 -65.41 -41.48 1.88 0.02 98.09 0.68 0.23 0.94 97.86 0.27 0.00 0.01 0.01 12 A H H 20.81 15.36 17.76 33.56 91.77 51.17 -63.69 -42.01 0.97 0.01 99.02 0.31 0.10 0.50 98.89 0.18 0.00 0.01 0.00 13 Y H H 102.79 8.13 21.06 29.49 91.98 50.30 -64.53 -41.37 1.09 0.02 98.89 0.26 0.10 0.66 98.74 0.22 0.00 0.01 0.00 14 K H H 108.55 3.70 22.75 26.21 92.12 49.16 -65.50 -41.46 1.46 0.03 98.51 0.30 0.14 0.97 98.31 0.25 0.00 0.02 0.01 15 V H H 34.70 11.49 19.61 31.99 92.06 47.64 -65.30 -42.49 2.39 0.08 97.53 0.55 0.26 1.60 97.14 0.38 0.01 0.04 0.02 16 C H H 24.39 15.38 17.86 33.59 92.66 49.63 -65.07 -41.37 3.28 0.18 96.55 0.88 0.37 2.07 95.59 0.90 0.02 0.13 0.03 17 F H H 94.38 6.12 19.99 26.70 92.24 50.46 -65.26 -40.59 4.42 0.38 95.20 1.14 0.53 2.91 93.04 1.94 0.05 0.34 0.06 18 K H H 106.27 3.73 20.62 24.17 92.40 50.02 -66.98 -39.93 7.24 0.65 92.11 1.86 0.89 4.75 89.50 2.25 0.07 0.56 0.11 19 V H H 35.33 11.50 15.83 28.51 93.40 47.55 -68.71 -39.88 12.10 1.06 86.84 3.76 1.78 7.13 84.11 2.14 0.09 0.77 0.24 20 I H H 53.59 11.10 13.93 25.90 94.78 49.51 -70.59 -36.71 23.38 2.16 74.45 10.16 4.28 10.22 71.26 2.08 0.10 1.24 0.66 21 N H H 100.28 3.06 15.12 18.78 96.33 53.56 -74.94 -25.03 41.95 1.39 56.66 17.56 5.84 18.73 54.29 2.28 0.04 0.71 0.55 22 D C H 94.35 3.48 11.97 16.72 100.34 55.73 -83.78 -2.00 58.70 1.32 39.98 24.10 9.60 25.44 36.20 3.39 0.04 0.58 0.64 23 K C T 128.05 4.55 10.57 16.65 100.11 62.49 -84.37 1.80 78.62 0.71 20.68 15.37 14.31 48.42 17.57 3.57 0.02 0.30 0.43 24 N C T 126.68 1.99 12.57 15.65 99.15 -119.41 -54.21 22.22 92.92 0.79 6.29 26.84 21.30 45.19 3.78 2.13 0.00 0.39 0.37 25 K C C 116.69 4.62 12.14 18.63 118.40 116.90 -103.02 135.26 97.02 2.22 0.76 59.73 36.49 1.17 0.38 0.30 0.00 1.20 0.74 26 P C C 83.03 5.82 13.83 21.11 113.64 -106.97 -67.42 145.46 94.07 3.57 2.36 84.50 6.63 3.10 0.97 1.18 0.00 2.81 0.82 27 F C C 86.26 12.71 11.38 24.40 118.07 -141.43 -98.78 134.87 67.24 27.17 5.59 54.70 7.43 3.53 3.22 2.64 0.01 20.30 8.16 28 V C C 89.13 5.44 16.24 23.05 117.56 -155.95 -107.97 127.60 62.96 28.72 8.32 50.48 7.87 3.70 5.47 3.31 0.03 24.38 4.76 29 L C C 72.94 11.65 11.69 23.98 114.80 -148.28 -93.85 126.67 68.45 19.60 11.95 52.18 9.82 5.76 8.14 4.27 0.04 16.68 3.10 30 H C C 118.59 5.36 13.77 20.45 108.40 -173.73 -93.87 13.35 79.57 8.19 12.24 53.91 18.67 6.94 8.80 3.91 0.02 5.77 1.97 31 D C C 75.93 3.81 15.79 20.14 119.30 22.90 -104.22 151.03 77.59 3.42 18.99 59.80 14.33 2.96 18.32 1.70 0.00 1.70 1.19 32 E H H 111.13 8.11 12.27 21.56 93.31 -115.18 -61.38 -35.73 4.37 0.05 95.58 1.57 0.76 2.05 94.17 1.40 0.01 0.02 0.01 33 Q H H 122.27 1.73 16.76 18.17 92.24 54.37 -65.10 -39.66 2.27 0.04 97.68 0.70 0.31 1.29 96.35 1.31 0.01 0.03 0.01 34 R H H 98.51 6.50 17.00 24.61 92.34 49.42 -66.19 -40.08 1.26 0.03 98.71 0.47 0.17 0.64 97.51 1.17 0.00 0.02 0.00 35 L H H 28.15 16.23 14.71 31.18 92.18 51.20 -64.31 -42.23 0.60 0.01 99.39 0.21 0.07 0.28 99.08 0.34 0.00 0.00 0.00 36 A H H 40.92 7.24 19.15 27.56 91.59 51.18 -63.34 -41.42 0.49 0.01 99.51 0.13 0.04 0.26 99.39 0.17 0.00 0.00 0.00 37 N H H 84.55 2.78 22.74 24.56 91.91 50.00 -65.33 -40.67 0.79 0.01 99.20 0.15 0.06 0.49 99.11 0.19 0.00 0.00 0.00 38 C H H 21.40 12.76 18.50 32.50 91.94 50.84 -64.35 -42.58 0.91 0.01 99.08 0.18 0.07 0.56 99.00 0.18 0.00 0.00 0.00 39 L H H 34.80 16.20 18.13 34.14 92.10 50.67 -64.30 -41.62 0.83 0.01 99.16 0.24 0.09 0.44 99.07 0.15 0.00 0.00 0.00 40 T H H 67.11 5.10 20.92 26.35 91.85 50.64 -64.28 -41.69 0.89 0.02 99.08 0.26 0.08 0.50 98.97 0.18 0.00 0.01 0.00 41 R H H 120.34 3.70 21.29 24.86 92.22 49.41 -65.83 -41.25 1.13 0.03 98.84 0.23 0.09 0.74 98.65 0.26 0.00 0.02 0.00 42 Y H H 49.97 13.37 17.39 31.38 92.72 48.17 -65.99 -41.90 1.53 0.07 98.41 0.35 0.15 0.99 98.03 0.41 0.01 0.04 0.01 43 V H H 32.72 12.49 15.34 28.95 92.30 49.66 -64.78 -42.02 2.47 0.16 97.37 0.65 0.27 1.54 96.59 0.80 0.01 0.13 0.02 44 E H H 117.73 2.49 18.05 20.48 92.40 50.51 -65.44 -39.36 5.51 0.08 94.41 0.76 0.43 4.19 93.32 1.21 0.02 0.05 0.02 45 A H H 58.08 5.33 15.59 22.06 92.65 51.94 -68.08 -31.99 14.27 0.07 85.66 1.09 0.98 11.90 84.65 1.28 0.03 0.03 0.03 46 F C H 80.75 10.42 12.94 24.31 97.90 45.15 -94.10 0.69 50.98 0.93 48.10 6.99 7.06 36.04 46.91 2.06 0.10 0.39 0.44 47 N C T 117.36 3.05 16.50 20.50 96.96 -123.45 53.44 40.97 78.74 2.18 19.08 29.02 7.37 40.81 18.81 2.08 0.01 1.24 0.66 48 V C C 55.40 11.36 10.48 22.67 112.28 149.77 -95.46 119.97 71.06 5.81 23.13 48.41 10.64 11.01 21.33 3.24 0.01 3.72 1.63 49 T C C 83.25 5.46 14.49 21.06 107.29 130.97 -93.85 21.09 64.84 6.45 28.71 43.95 10.49 9.65 25.71 4.15 0.02 4.66 1.37 50 S H H 63.14 7.27 13.92 22.10 108.05 57.95 -96.30 65.33 42.90 8.52 48.58 20.95 11.87 11.54 39.14 8.10 0.16 6.99 1.24 51 E H H 105.24 7.04 14.85 22.74 107.63 59.07 -91.33 59.18 31.81 17.12 51.07 14.94 8.12 10.23 41.03 8.33 0.33 15.56 1.45 52 Y H H 93.38 10.19 14.94 25.98 117.47 50.90 -103.90 131.42 21.48 31.88 46.64 12.32 4.36 5.75 39.29 6.68 0.15 30.02 1.43 53 F E E 68.45 11.77 14.37 27.06 119.25 -161.89 -107.78 135.75 15.81 46.39 37.80 9.56 2.66 3.19 36.04 3.40 0.05 43.93 1.17 54 F E E 81.86 10.01 13.84 25.06 118.94 -152.83 -107.33 134.16 13.77 55.16 31.08 8.44 2.01 2.46 31.49 2.45 0.03 52.08 1.04 55 R E E 113.89 6.88 13.07 21.43 117.51 -154.54 -103.60 137.22 15.84 54.52 29.63 9.71 2.26 2.81 29.52 2.54 0.03 52.10 1.02 56 E E E 115.49 4.94 11.22 17.83 113.56 -139.55 -91.27 133.78 23.58 45.71 30.71 13.85 3.76 4.93 28.38 3.52 0.09 44.14 1.32 57 R C E 145.94 3.57 9.51 14.84 114.61 -144.77 -99.29 130.71 35.63 32.34 32.02 17.19 6.59 11.75 27.66 4.82 0.38 29.35 2.27 58 A C T 91.91 1.74 9.22 12.08 103.57 -66.21 -56.32 83.18 78.10 3.42 18.47 12.20 9.77 54.90 15.56 4.09 0.04 2.60 0.84 59 G C T 63.17 1.02 10.33 11.59 101.69 -21.60 82.82 0.55 88.60 2.17 9.23 14.69 14.77 59.38 6.14 2.87 0.01 1.64 0.50 60 E C C 126.40 2.82 9.24 13.89 116.24 107.58 -97.75 135.58 68.11 23.92 7.97 38.88 17.24 12.33 5.02 2.98 0.04 21.42 2.09 61 T C C 85.80 5.19 9.27 16.35 117.43 -151.97 -101.20 135.50 55.54 37.73 6.73 40.23 10.12 4.68 4.80 2.20 0.02 35.89 2.07 62 K C E 126.69 4.13 11.93 17.92 119.08 -157.75 -105.99 136.23 46.86 45.51 7.63 37.03 5.92 2.92 5.98 2.10 0.02 43.64 2.39 63 V C E 83.59 7.19 9.70 18.56 116.78 -144.64 -101.05 132.14 45.90 43.19 10.91 35.64 5.74 3.80 8.34 2.89 0.04 41.31 2.25 64 T C C 80.45 4.71 10.29 16.86 118.17 -159.33 -103.13 140.94 53.65 34.49 11.86 39.94 7.81 5.57 8.03 3.71 0.03 32.92 1.98 65 E C C 135.81 3.08 9.08 14.09 113.31 -133.17 -92.22 131.35 61.82 25.42 12.75 42.37 11.35 8.40 7.51 4.77 0.05 23.43 2.12 66 K C C 144.99 2.88 8.42 13.23 113.19 -145.91 -91.21 128.02 80.44 11.78 7.78 71.13 2.37 7.03 4.87 2.23 0.00 10.82 1.55 67 Q C C 132.41 2.89 10.36 15.08 111.77 -139.62 -89.03 125.50 99.81 0.15 0.04 99.67 0.11 0.10 0.02 0.00 0.00 0.09 0.01