# 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 112.58 5.28 11.16 17.92 111.11 -156.89 -88.32 127.45 99.93 0.03 0.04 99.85 0.07 0.04 0.02 0.00 0.00 0.01 0.00 1 T C C 82.21 4.03 9.96 15.53 110.41 -147.51 -85.84 141.79 77.14 0.57 22.29 72.23 0.84 3.93 21.49 1.00 0.00 0.20 0.30 2 D H H 99.64 2.57 10.47 14.21 100.50 -107.79 -74.23 -25.12 43.19 0.57 56.25 30.83 5.33 7.16 53.64 2.55 0.00 0.23 0.26 3 R H H 140.12 4.32 10.28 16.08 94.61 62.66 -67.35 -34.33 19.15 0.30 80.55 9.92 3.44 6.76 76.16 3.44 0.01 0.14 0.12 4 Y H H 142.12 2.33 12.57 15.70 93.85 54.17 -68.27 -36.23 12.74 0.25 87.01 6.86 2.29 4.51 82.93 3.18 0.01 0.13 0.09 5 T H H 76.73 2.42 14.10 16.96 93.97 52.31 -67.97 -39.37 11.02 0.22 88.76 6.89 1.76 3.11 85.98 2.08 0.00 0.11 0.07 6 I H H 69.26 6.46 13.13 21.08 93.19 51.37 -66.07 -41.56 6.09 0.08 93.83 3.04 0.92 2.27 92.55 1.14 0.00 0.04 0.03 7 H H H 94.09 5.52 14.79 21.60 93.06 51.03 -66.16 -39.36 4.75 0.04 95.21 2.23 0.63 1.85 94.47 0.78 0.00 0.01 0.01 8 S H H 57.84 2.34 16.77 18.97 92.10 52.04 -64.86 -40.75 2.70 0.02 97.29 1.07 0.32 1.14 96.99 0.47 0.00 0.01 0.00 9 Q H H 90.76 3.94 16.77 21.42 92.35 50.25 -65.35 -40.25 1.82 0.01 98.16 0.58 0.19 0.90 97.99 0.33 0.00 0.00 0.00 10 L H H 56.18 9.88 14.18 25.23 92.26 50.60 -65.05 -40.60 0.78 0.00 99.22 0.21 0.07 0.40 99.13 0.19 0.00 0.00 0.00 11 E H H 102.21 3.47 17.12 21.26 91.99 51.75 -64.02 -40.34 0.59 0.00 99.40 0.14 0.05 0.31 99.31 0.19 0.00 0.00 0.00 12 H H H 110.68 1.84 17.60 18.59 92.20 50.29 -65.03 -40.69 0.92 0.00 99.07 0.16 0.07 0.58 98.86 0.34 0.00 0.00 0.00 13 L H H 56.29 8.01 14.31 24.00 92.22 50.20 -65.30 -40.88 1.22 0.01 98.77 0.20 0.11 0.79 98.33 0.57 0.00 0.00 0.00 14 Q H H 73.72 10.00 13.00 23.97 92.07 52.92 -64.91 -37.48 2.28 0.01 97.71 0.29 0.18 1.64 96.65 1.21 0.01 0.00 0.00 15 S H H 78.06 2.01 15.83 17.94 92.47 53.04 -68.51 -31.53 8.15 0.01 91.84 0.48 0.45 7.12 89.94 1.98 0.02 0.00 0.01 16 K H H 134.72 2.51 15.60 18.48 96.66 46.01 -83.85 -27.06 16.39 0.04 83.57 0.73 1.15 14.56 81.79 1.69 0.03 0.01 0.02 17 Y H H 97.10 10.63 11.71 22.88 108.86 36.53 -109.90 23.31 45.66 0.63 53.70 6.43 9.45 30.37 50.67 2.28 0.15 0.21 0.45 18 I C T 94.69 6.90 13.53 21.63 112.04 91.23 -89.69 124.68 76.57 3.00 20.44 23.43 16.56 37.29 15.96 3.66 0.09 1.17 1.85 19 G C C 45.88 6.21 14.25 21.55 104.90 -21.79 79.89 23.93 91.94 1.48 6.58 41.56 19.94 30.95 2.59 3.43 0.00 0.66 0.87 20 T C C 83.55 5.92 14.42 21.39 105.60 115.91 -97.73 9.74 92.85 2.56 4.59 55.02 22.88 14.86 1.48 2.99 0.00 1.10 1.66 21 G C C 35.97 9.60 11.51 21.85 121.50 130.20 -87.56 167.06 94.96 3.57 1.47 53.35 34.76 6.73 0.34 1.19 0.00 1.53 2.10 22 H C C 106.01 4.73 13.36 19.50 120.31 -126.28 -100.28 149.98 96.05 2.70 1.25 80.89 11.92 2.66 0.35 0.95 0.00 1.09 2.13 23 A C T 89.66 2.66 11.38 15.75 93.43 -118.16 -64.46 -23.72 97.12 0.49 2.39 8.96 14.72 73.15 0.34 2.27 0.00 0.30 0.25 24 D C T 125.52 0.80 13.83 13.64 96.47 57.27 -90.95 4.11 97.67 0.34 1.99 12.74 12.36 72.38 0.30 1.87 0.00 0.20 0.15 25 T C C 40.14 12.88 7.13 20.12 117.18 111.23 -80.20 142.65 97.18 1.83 0.99 73.36 22.58 0.85 0.46 0.44 0.00 0.52 1.79 26 T C C 72.53 2.35 16.22 18.38 122.12 -129.25 -85.37 166.33 97.61 1.94 0.45 94.85 2.46 0.15 0.36 0.05 0.00 0.41 1.72 27 K H H 137.88 4.15 12.83 18.80 91.22 -103.10 -58.70 -37.68 2.29 0.00 97.71 0.27 0.31 1.57 97.43 0.40 0.00 0.00 0.00 28 W H H 156.94 3.19 15.89 19.73 91.87 53.26 -64.92 -40.11 1.31 0.00 98.69 0.10 0.08 1.09 98.25 0.49 0.00 0.00 0.00 29 E H H 72.18 7.53 15.72 24.68 91.93 49.05 -65.76 -40.37 0.31 0.00 99.69 0.04 0.02 0.21 99.33 0.40 0.00 0.00 0.00 30 W H H 72.29 10.58 15.39 27.26 91.90 50.82 -63.96 -42.46 0.12 0.00 99.88 0.02 0.00 0.07 99.81 0.10 0.00 0.00 0.00 31 L H H 67.21 6.51 19.16 26.49 91.72 49.71 -64.41 -41.47 0.19 0.00 99.81 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 32 V H H 53.68 7.07 19.42 27.49 91.75 50.09 -64.33 -42.68 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 33 N H H 43.82 9.77 18.76 29.76 92.07 49.66 -64.35 -41.47 0.30 0.00 99.70 0.04 0.01 0.19 99.72 0.03 0.00 0.00 0.00 34 Q H H 72.31 7.88 20.66 29.11 92.08 50.03 -64.53 -41.46 0.32 0.00 99.68 0.03 0.02 0.20 99.71 0.03 0.00 0.00 0.00 35 H H H 79.68 8.52 20.16 29.01 92.15 50.08 -64.85 -41.62 0.34 0.00 99.66 0.05 0.02 0.21 99.67 0.06 0.00 0.00 0.00 36 R H H 95.66 8.97 20.06 29.49 92.04 49.19 -65.20 -41.39 0.31 0.00 99.69 0.03 0.01 0.20 99.66 0.09 0.00 0.00 0.00 37 D H H 66.59 6.63 20.82 27.86 92.25 49.49 -65.14 -41.17 0.50 0.00 99.49 0.05 0.02 0.35 99.44 0.14 0.00 0.00 0.00 38 S H H 43.88 7.40 19.86 27.72 92.07 49.10 -65.17 -41.18 1.54 0.00 98.46 0.08 0.07 1.26 98.30 0.29 0.00 0.00 0.00 39 Y H H 80.85 10.64 18.55 29.68 92.17 49.89 -64.76 -41.49 2.24 0.00 97.75 0.15 0.14 1.76 97.24 0.70 0.00 0.00 0.00 40 C H H 51.19 7.34 18.70 27.08 91.98 51.07 -64.40 -39.96 3.30 0.01 96.69 0.30 0.24 2.54 94.32 2.59 0.01 0.00 0.00 41 S H H 55.12 4.80 19.42 24.51 92.05 51.81 -65.78 -36.90 6.53 0.02 93.45 0.38 0.38 5.62 89.16 4.44 0.01 0.01 0.01 42 Y H H 84.92 10.15 16.04 26.89 93.67 50.54 -72.45 -30.83 9.79 0.04 90.16 0.58 0.65 8.62 84.62 5.45 0.03 0.02 0.02 43 M H H 90.65 10.02 15.46 26.03 93.62 64.01 -66.37 -27.58 33.32 0.05 66.63 0.58 1.10 32.34 61.94 3.94 0.04 0.02 0.04 44 G C T 52.61 2.96 17.24 20.78 95.09 44.77 -81.13 -7.12 68.19 0.06 31.75 1.33 2.59 63.48 30.00 2.50 0.01 0.02 0.06 45 H C C 86.29 7.40 12.91 21.90 106.96 85.19 -101.25 88.68 97.42 0.57 2.02 88.78 7.52 0.84 1.86 0.28 0.00 0.13 0.60 46 F H H 124.37 6.78 12.95 21.50 94.32 172.04 -63.82 -37.02 9.16 0.03 90.81 1.58 1.18 6.03 88.31 2.87 0.01 0.01 0.02 47 D H H 105.80 1.58 17.83 18.64 92.49 53.70 -65.79 -38.54 7.57 0.01 92.42 0.67 0.62 6.01 90.05 2.63 0.01 0.00 0.01 48 L H H 59.45 7.86 16.99 26.02 92.22 49.84 -66.24 -40.75 3.00 0.01 96.99 0.40 0.22 2.07 94.61 2.69 0.00 0.00 0.00 49 L H H 22.73 16.31 14.13 30.95 91.48 50.76 -63.62 -41.93 0.40 0.00 99.60 0.08 0.03 0.21 99.39 0.29 0.00 0.00 0.00 50 N H H 77.33 5.95 19.80 26.38 91.57 51.65 -63.82 -41.57 0.24 0.00 99.76 0.02 0.01 0.16 99.73 0.09 0.00 0.00 0.00 51 Y H H 117.37 3.43 21.43 24.15 91.85 50.14 -64.40 -42.41 0.18 0.00 99.82 0.01 0.00 0.13 99.79 0.06 0.00 0.00 0.00 52 F H H 48.15 10.89 17.66 29.75 92.10 49.18 -64.86 -42.13 0.15 0.00 99.85 0.01 0.01 0.10 99.83 0.05 0.00 0.00 0.00 53 A H H 13.46 11.94 13.56 27.70 91.39 51.48 -62.73 -42.29 0.31 0.00 99.68 0.03 0.02 0.20 99.67 0.08 0.00 0.00 0.00 54 I H H 104.44 2.72 17.17 19.87 92.22 49.39 -64.93 -41.51 0.67 0.00 99.33 0.04 0.03 0.51 99.17 0.24 0.00 0.00 0.00 55 A H H 67.03 4.07 15.12 20.14 91.50 50.48 -66.49 -34.04 3.51 0.01 96.48 0.11 0.17 3.15 96.29 0.27 0.00 0.00 0.00 56 E C T 92.07 6.42 12.55 20.62 95.53 41.84 -94.04 0.94 56.60 0.03 43.37 0.56 1.79 52.65 44.36 0.59 0.01 0.01 0.03 57 N C T 141.39 0.72 15.70 15.13 93.37 -122.65 58.77 38.40 99.81 0.00 0.18 4.00 1.95 93.94 0.08 0.03 0.00 0.00 0.00 58 E C C 67.07 9.16 9.67 20.45 129.55 136.10 -118.58 156.89 99.68 0.19 0.13 82.66 16.72 0.28 0.08 0.03 0.00 0.06 0.17 59 S C C 62.51 2.38 18.12 19.76 116.36 -99.35 -68.67 153.30 99.44 0.41 0.15 98.97 0.49 0.06 0.09 0.01 0.00 0.10 0.28 60 K H H 104.29 11.02 12.19 23.83 92.16 -117.38 -59.34 -37.70 1.26 0.00 98.73 0.25 0.21 0.63 98.67 0.25 0.00 0.00 0.00 61 A H H 64.62 2.63 17.91 20.27 91.41 54.55 -63.54 -40.25 0.66 0.00 99.34 0.08 0.05 0.41 99.17 0.29 0.00 0.00 0.00 62 R H H 117.51 3.45 19.10 22.71 91.82 48.68 -66.19 -40.16 0.24 0.00 99.75 0.04 0.02 0.12 99.60 0.21 0.00 0.00 0.00 63 V H H 16.80 15.35 13.60 30.08 91.65 50.65 -63.63 -42.95 0.09 0.00 99.91 0.01 0.01 0.04 99.91 0.04 0.00 0.00 0.00 64 R H H 105.91 7.64 18.48 26.93 91.64 50.92 -62.60 -41.84 0.10 0.00 99.90 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 65 F H H 112.01 2.46 20.07 21.59 91.63 49.56 -63.84 -41.84 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 66 N H H 65.95 5.88 18.54 25.42 92.04 49.45 -64.92 -40.92 0.26 0.00 99.74 0.01 0.00 0.20 99.74 0.04 0.00 0.00 0.00 67 L H H 37.15 12.62 15.26 28.97 92.01 50.35 -64.14 -41.14 0.56 0.00 99.44 0.03 0.02 0.44 99.36 0.16 0.00 0.00 0.00 68 M H H 85.62 5.07 17.45 23.29 91.81 50.41 -64.03 -40.72 0.50 0.00 99.50 0.04 0.02 0.34 99.19 0.40 0.00 0.00 0.00 69 E H H 109.11 2.58 17.67 20.20 92.10 50.82 -65.02 -40.29 0.65 0.00 99.35 0.04 0.03 0.52 98.37 1.05 0.00 0.00 0.00 70 K H H 98.98 6.99 15.34 23.38 92.36 50.38 -67.20 -36.80 2.50 0.00 97.50 0.07 0.08 2.32 95.44 2.09 0.00 0.00 0.00 71 M H H 84.05 8.59 13.72 23.40 92.90 52.08 -70.79 -28.70 10.17 0.01 89.82 0.39 0.51 9.14 88.05 1.89 0.01 0.00 0.01 72 L H H 106.35 3.78 14.33 18.86 95.71 51.98 -83.83 -11.80 39.74 0.44 59.81 4.72 7.17 28.73 55.99 2.73 0.15 0.14 0.37 73 Q C S 103.35 5.04 11.86 18.72 112.85 97.09 -82.83 130.04 86.77 1.32 11.91 35.82 39.78 11.82 5.91 5.14 0.01 0.49 1.03 74 P C C 95.00 4.26 11.66 17.77 109.08 -127.84 -68.00 134.51 87.04 1.47 11.49 47.53 14.77 24.74 3.11 8.25 0.00 0.69 0.91 75 C C C 85.93 5.55 10.10 17.19 108.31 -140.58 -93.42 62.04 87.47 3.13 9.39 44.24 21.15 22.28 2.37 6.57 0.00 1.25 2.14 76 G C S 40.06 3.34 12.68 17.46 130.57 23.95 141.11 -175.64 97.52 1.82 0.67 41.48 52.93 3.16 0.17 0.46 0.00 0.73 1.07 77 P C C 105.04 1.85 12.79 15.41 116.08 -45.65 -69.50 148.25 99.12 0.57 0.30 70.39 27.00 1.75 0.07 0.23 0.00 0.24 0.31 78 P C C 91.05 4.94 9.35 16.42 114.23 -101.32 -65.96 146.34 97.92 0.67 1.41 86.45 7.67 3.71 0.34 1.06 0.00 0.31 0.45 79 A C C 74.03 3.73 9.00 14.66 113.66 -105.64 -71.06 149.20 96.22 0.91 2.86 80.04 9.41 6.50 0.61 2.42 0.00 0.42 0.61 80 D C C 125.43 1.14 9.93 11.99 111.53 -110.22 -82.64 128.57 96.84 1.14 2.03 76.01 15.43 5.07 0.49 1.68 0.00 0.51 0.81 81 K C C 127.78 4.05 6.88 12.94 117.70 -147.22 -96.03 139.19 98.55 0.58 0.87 81.84 15.90 0.83 0.35 0.42 0.00 0.22 0.44 82 P C C 105.37 1.73 8.72 11.75 108.40 -109.53 -68.05 145.97 78.90 0.63 20.47 57.62 5.82 13.26 2.73 19.93 0.00 0.35 0.28 83 E C C 150.53 1.58 7.12 10.12 106.56 -113.45 -81.09 103.63 74.79 0.92 24.28 38.67 11.40 23.11 2.77 23.12 0.00 0.45 0.48 84 E C C 145.93 1.93 6.97 10.46 106.51 69.62 -86.56 64.98 74.86 0.95 24.19 54.08 5.05 14.48 3.29 22.14 0.00 0.50 0.45 85 N C C 122.71 2.02 9.61 12.98 105.03 73.98 -89.27 60.96 99.68 0.04 0.28 98.86 0.41 0.53 0.08 0.10 0.00 0.02 0.02