# 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 128.87 3.73 9.25 15.06 118.61 -161.78 -104.52 135.66 99.77 0.22 0.01 99.74 0.10 0.03 0.00 0.00 0.00 0.11 0.02 1 A C C 86.81 1.83 8.18 11.73 118.17 -164.34 -108.57 139.76 93.70 5.00 1.30 91.66 0.80 1.97 0.41 0.56 0.00 3.13 1.47 2 Y C C 175.49 2.43 6.31 10.72 116.30 -141.82 -99.62 130.99 89.68 7.53 2.79 70.29 13.63 5.46 0.91 1.87 0.00 4.98 2.86 3 T C C 107.36 1.65 7.74 11.05 117.29 -159.44 -103.43 133.12 90.58 6.18 3.24 73.72 11.78 4.88 0.98 2.22 0.00 4.09 2.33 4 S C C 88.97 2.14 7.24 11.38 115.79 -139.52 -94.40 135.86 92.12 4.06 3.83 68.86 16.71 6.53 1.03 2.74 0.00 2.54 1.59 5 H C C 155.21 1.53 8.43 11.40 117.52 -160.52 -109.49 134.78 94.38 3.71 1.91 66.47 24.02 3.97 0.55 1.31 0.00 2.28 1.39 6 L C C 119.16 3.76 7.29 13.13 115.73 -118.23 -85.48 137.27 93.08 5.53 1.40 84.36 6.93 1.94 0.42 0.87 0.00 3.93 1.53 7 S C C 88.76 1.62 10.58 13.49 119.29 -155.12 -106.14 138.53 86.95 11.94 1.11 79.41 5.78 1.57 0.41 0.65 0.00 8.89 3.28 8 S C C 79.56 4.92 7.49 14.65 120.06 -146.84 -103.78 141.01 79.58 19.36 1.07 71.07 6.70 1.19 0.51 0.59 0.00 14.48 5.45 9 K C C 145.66 2.32 10.61 14.74 120.19 -160.97 -116.03 137.17 78.01 20.92 1.06 68.51 7.66 1.09 0.55 0.55 0.00 17.01 4.62 10 T C C 105.78 2.69 9.39 14.16 115.04 -138.06 -91.89 138.05 79.57 16.65 3.78 66.00 9.81 3.07 1.99 1.84 0.00 13.57 3.71 11 G C C 47.34 4.26 9.17 15.13 119.97 -153.39 -110.42 157.17 88.08 5.07 6.85 72.12 11.48 4.52 3.43 3.29 0.00 3.58 1.58 12 L C C 118.07 3.29 10.28 15.11 111.01 -116.71 -86.77 124.32 78.42 4.32 17.26 49.00 16.60 13.31 6.61 10.29 0.01 2.65 1.53 13 H C C 134.68 3.47 9.27 14.47 110.21 -140.47 -95.24 102.71 76.78 7.18 16.04 49.44 12.73 14.81 5.70 10.13 0.01 4.32 2.84 14 F C C 135.99 4.29 8.19 14.23 109.02 138.43 -95.30 95.87 64.55 12.82 22.64 30.83 14.75 20.41 6.22 14.74 0.27 5.90 6.89 15 G C T 57.42 2.08 11.36 14.24 103.88 3.33 61.92 -59.19 81.09 1.97 16.94 11.72 16.03 53.00 4.06 12.91 0.02 1.09 1.17 16 R C T 185.37 1.28 11.89 13.32 100.30 -2.50 -82.96 19.26 81.69 2.42 15.89 15.55 21.05 45.78 3.48 11.59 0.02 1.38 1.16 17 L C C 78.40 7.74 7.54 16.69 117.20 121.99 -93.84 137.42 77.25 19.50 3.25 54.73 19.39 1.74 2.33 1.03 0.01 5.63 15.14 18 S C C 57.76 2.63 13.00 16.46 120.93 -134.47 -88.32 163.71 94.75 3.08 2.17 92.29 2.23 0.59 1.93 0.27 0.00 1.36 1.32 19 L H H 115.24 3.23 10.94 15.80 92.30 -104.72 -59.80 -36.30 5.28 0.03 94.68 0.85 0.71 3.64 92.06 2.69 0.02 0.02 0.01 20 R H H 165.37 1.09 13.94 14.45 92.19 53.67 -65.37 -38.91 4.39 0.03 95.59 0.45 0.37 3.46 92.38 3.30 0.02 0.01 0.01 21 S H H 49.84 4.36 12.39 18.40 93.29 49.22 -67.03 -38.90 3.79 0.03 96.18 0.60 0.36 2.68 92.31 4.00 0.02 0.02 0.01 22 L H H 71.98 6.87 11.34 19.89 92.42 52.50 -65.20 -39.60 1.96 0.01 98.03 0.43 0.19 1.18 95.69 2.49 0.00 0.01 0.00 23 T H H 84.85 2.33 14.94 17.51 92.59 51.49 -66.20 -37.48 3.16 0.01 96.82 0.24 0.17 2.57 91.08 5.93 0.01 0.01 0.00 24 A H H 67.04 2.40 15.03 17.61 93.23 52.26 -68.67 -33.92 10.60 0.01 89.38 0.25 0.34 10.43 82.93 6.02 0.02 0.01 0.01 25 Y H H 104.24 6.72 13.05 21.21 97.99 44.69 -87.81 -18.25 14.33 0.02 85.66 0.44 0.72 13.61 81.88 3.30 0.03 0.01 0.01 26 A H H 48.52 6.19 13.27 21.24 92.82 77.04 -60.53 -43.13 1.91 0.00 98.09 0.57 0.23 0.85 97.49 0.85 0.00 0.00 0.00 27 P H H 79.80 2.14 16.56 18.36 92.16 49.71 -64.39 -39.93 0.85 0.00 99.15 0.17 0.05 0.51 98.16 1.10 0.00 0.00 0.00 28 N H H 85.45 2.99 16.32 19.67 92.22 50.00 -66.08 -39.98 0.32 0.00 99.67 0.06 0.02 0.19 98.74 0.98 0.00 0.00 0.00 29 L H H 76.83 5.62 14.70 21.61 92.30 50.97 -65.04 -40.38 0.19 0.00 99.81 0.02 0.01 0.12 99.56 0.29 0.00 0.00 0.00 30 M H H 102.63 3.28 16.06 19.89 91.94 51.07 -64.74 -40.42 0.33 0.00 99.67 0.04 0.02 0.23 99.55 0.17 0.00 0.00 0.00 31 L H H 101.52 1.78 17.14 18.14 92.10 50.13 -65.22 -41.47 0.54 0.00 99.46 0.04 0.02 0.42 99.36 0.15 0.00 0.00 0.00 32 W H H 138.91 3.03 16.71 19.87 92.51 48.24 -66.19 -41.02 0.64 0.00 99.36 0.06 0.04 0.46 99.31 0.12 0.00 0.00 0.00 33 G H H 30.95 5.21 15.00 21.48 92.24 51.03 -64.08 -41.73 0.52 0.00 99.48 0.06 0.03 0.33 99.49 0.08 0.00 0.00 0.00 34 G H H 37.97 2.70 17.00 19.64 91.99 50.43 -64.48 -41.61 0.36 0.00 99.64 0.04 0.02 0.23 99.66 0.05 0.00 0.00 0.00 35 A H H 60.42 2.20 17.31 19.03 92.12 50.19 -64.89 -41.18 0.21 0.00 99.79 0.03 0.01 0.13 99.80 0.04 0.00 0.00 0.00 36 S H H 55.46 3.67 16.13 20.53 92.24 50.79 -64.79 -41.52 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 37 M H H 96.57 3.57 16.51 20.64 92.07 50.57 -64.70 -41.52 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 38 L H H 95.54 2.08 17.30 18.85 91.92 49.99 -64.59 -41.80 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 39 G H H 35.57 2.87 15.93 19.23 91.89 50.61 -63.88 -41.41 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 40 L H H 82.29 3.86 15.13 19.90 91.93 50.60 -64.46 -41.08 0.11 0.00 99.89 0.00 0.00 0.08 99.88 0.03 0.00 0.00 0.00 41 F H H 112.14 3.25 14.58 18.65 92.16 50.31 -65.06 -40.71 0.20 0.00 99.80 0.01 0.01 0.15 99.73 0.10 0.00 0.00 0.00 42 V H H 92.81 2.11 14.53 16.80 92.61 49.69 -66.31 -40.40 0.77 0.00 99.23 0.03 0.02 0.68 98.94 0.32 0.00 0.00 0.00 43 F H H 136.04 2.43 13.72 16.53 93.82 48.87 -71.48 -31.50 4.00 0.00 95.99 0.09 0.12 3.93 95.25 0.61 0.00 0.00 0.00 44 T H H 78.78 4.69 11.39 17.53 98.33 45.10 -89.61 -5.79 24.24 0.09 75.66 1.17 1.66 21.38 74.11 1.53 0.06 0.03 0.07 45 E C T 122.99 3.59 10.52 15.99 106.15 111.14 -72.85 110.44 75.30 0.42 24.28 4.82 5.93 62.01 24.14 2.57 0.02 0.17 0.35 46 G C T 59.42 1.51 14.30 15.57 99.71 19.86 80.34 2.16 91.54 0.25 8.21 9.90 9.52 72.25 6.10 1.94 0.00 0.12 0.15 47 W C C 115.30 7.70 8.43 17.74 117.08 116.13 -90.80 132.67 97.59 1.11 1.30 49.62 46.81 1.21 1.04 0.25 0.00 0.34 0.72 48 P C C 69.75 4.22 12.22 18.08 112.53 -108.26 -66.61 149.22 90.00 3.37 6.63 82.52 4.49 2.42 5.93 1.03 0.00 1.14 2.46 49 K H H 138.31 2.96 11.84 16.36 93.13 -118.85 -61.80 -34.67 29.74 1.34 68.91 8.03 8.38 15.50 56.27 10.03 0.43 0.67 0.68 50 F H H 124.90 2.49 13.08 16.26 92.49 56.61 -66.39 -35.83 21.78 1.57 76.65 6.01 4.53 12.40 62.77 12.21 0.50 1.01 0.57 51 Q H H 71.95 6.66 11.51 19.94 93.10 53.43 -68.92 -35.46 17.92 1.98 80.10 7.29 3.48 8.22 65.28 13.58 0.19 1.39 0.56 52 D H H 70.22 6.27 12.18 19.92 93.67 53.67 -68.32 -37.77 20.90 1.14 77.95 6.64 4.54 11.39 66.55 9.32 0.43 0.62 0.51 53 T H H 81.85 2.07 14.66 16.60 95.60 49.52 -72.18 -40.19 31.37 1.13 67.50 3.72 5.41 22.84 56.51 8.85 1.39 0.52 0.75 54 L C T 95.12 2.99 14.06 17.62 95.75 41.66 -73.94 -39.60 52.90 0.75 46.35 1.69 4.41 44.89 35.59 11.45 0.93 0.36 0.68 55 Y C T 90.24 9.34 11.13 21.52 95.80 42.67 -82.72 -21.08 51.91 1.01 47.08 2.67 4.56 42.20 27.58 20.94 0.63 0.52 0.91 56 K C T 117.19 5.71 12.38 19.70 91.78 72.44 -66.01 -25.75 61.40 1.14 37.46 3.99 5.69 50.07 16.67 21.91 0.19 0.63 0.85 57 K C T 150.76 1.56 14.25 15.70 95.09 54.47 -87.90 -4.46 67.19 1.05 31.76 6.56 6.83 52.86 9.27 23.17 0.05 0.60 0.65 58 I C S 74.79 7.29 7.98 17.21 113.97 100.73 -86.29 127.83 94.75 2.72 2.53 45.46 46.99 2.14 1.45 0.88 0.00 0.74 2.34 59 P C T 95.12 2.66 11.35 15.27 110.07 -113.47 -65.85 141.04 84.68 1.72 13.61 20.00 15.00 49.34 3.46 10.27 0.01 0.82 1.10 60 L C T 125.16 2.76 11.21 15.12 100.75 12.10 -54.26 -8.76 85.16 1.67 13.17 7.12 17.68 59.88 3.27 10.01 0.03 0.85 1.17 61 L C T 102.98 4.45 10.21 16.04 101.36 48.80 -91.97 5.34 77.34 4.88 17.78 20.20 18.89 38.34 3.74 13.31 0.07 2.04 3.41 62 G C G 35.21 5.98 10.52 18.12 109.10 121.65 -10.71 -132.92 57.92 2.55 39.53 30.14 13.77 14.01 4.73 34.68 0.00 1.18 1.47 63 P H G 109.50 1.99 13.29 15.66 94.59 7.48 -72.13 -15.92 45.76 0.53 53.72 5.15 7.37 32.06 4.52 50.33 0.01 0.28 0.29 64 T H G 86.35 4.00 12.05 17.38 96.25 63.31 -84.42 -9.65 44.43 1.02 54.55 7.24 7.14 29.83 5.33 49.42 0.01 0.57 0.45 65 L C C 71.45 10.03 8.52 19.42 112.22 84.69 -88.11 121.47 62.34 9.49 28.17 43.04 11.16 8.05 7.03 21.19 0.03 4.91 4.58 66 E C C 115.49 4.22 12.27 18.21 116.63 -157.94 -100.01 131.67 83.77 9.84 6.39 68.01 10.63 3.93 3.36 3.15 0.00 5.11 5.80 67 D C C 105.39 4.48 11.05 17.45 105.01 -150.44 -88.91 72.55 92.17 5.38 2.46 77.57 10.93 3.50 1.12 1.30 0.00 3.37 2.20 68 H C C 133.21 2.87 12.95 17.33 116.01 112.49 -102.54 129.39 97.59 2.00 0.41 85.30 11.13 1.19 0.16 0.23 0.00 1.02 0.96 69 T C C 68.90 7.96 8.80 18.23 117.27 -134.43 -90.19 136.73 99.31 0.66 0.04 90.96 8.30 0.09 0.02 0.01 0.00 0.23 0.39 70 P C C 60.14 4.61 10.73 17.49 115.22 -107.38 -64.79 148.73 99.88 0.08 0.04 99.30 0.57 0.05 0.01 0.01 0.00 0.02 0.04 71 P H G 112.05 1.81 10.13 13.38 91.36 -111.25 -58.04 -31.77 12.16 0.08 87.76 1.59 1.07 6.75 0.67 89.85 0.00 0.06 0.00 72 E H G 150.62 1.19 10.87 12.46 91.93 61.02 -72.52 -16.82 10.85 0.08 89.07 0.67 0.82 7.01 0.52 90.93 0.00 0.05 0.00 73 D H G 80.17 5.97 8.92 16.60 97.14 57.95 -91.22 0.84 11.64 0.16 88.20 2.09 1.67 5.12 0.67 90.33 0.00 0.10 0.01 74 K C S 113.35 5.34 9.05 16.43 113.84 101.35 -89.71 124.24 99.39 0.42 0.19 43.43 55.55 0.42 0.06 0.08 0.00 0.10 0.36 75 P C C 88.74 4.69 8.83 15.46 111.67 -116.49 -67.22 146.27 99.16 0.59 0.26 96.20 1.28 1.67 0.07 0.10 0.00 0.18 0.48 76 N C C 127.23 1.93 11.38 14.55 108.46 -121.86 -84.58 114.66 99.73 0.25 0.02 99.56 0.18 0.07 0.01 0.00 0.00 0.08 0.09