# 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 112.55 5.33 10.59 17.63 117.72 -147.62 -92.27 140.37 99.91 0.08 0.01 99.71 0.20 0.03 0.00 0.00 0.00 0.04 0.02 1 P C C 94.53 3.63 9.84 15.24 113.29 -104.48 -68.15 148.30 93.77 1.20 5.04 86.14 1.24 7.26 1.20 2.97 0.00 0.74 0.44 2 Q C C 144.84 1.49 8.79 11.56 112.59 -120.07 -86.12 134.14 86.57 7.17 6.26 61.91 12.39 11.96 1.58 4.76 0.00 3.72 3.68 3 L C C 108.65 4.96 7.04 13.87 113.76 -119.81 -87.21 134.47 82.06 11.78 6.16 64.21 12.79 4.27 2.51 3.58 0.00 5.22 7.41 4 D C C 87.80 2.82 10.75 14.96 113.57 -136.32 -88.93 132.57 92.91 3.42 3.66 86.52 5.10 1.56 2.75 0.81 0.00 1.79 1.47 5 T H H 96.06 2.93 10.03 14.77 93.43 -138.85 -64.53 -30.28 35.04 0.53 64.42 9.96 7.02 19.57 59.68 3.18 0.07 0.23 0.28 6 S H H 74.53 1.47 12.44 13.96 92.47 58.74 -65.62 -38.36 29.25 0.24 70.50 4.25 4.46 21.17 66.95 2.82 0.10 0.10 0.15 7 T H H 63.96 3.65 11.68 16.88 92.96 50.70 -66.81 -39.64 13.39 0.19 86.42 3.63 1.99 8.36 83.51 2.27 0.06 0.08 0.09 8 W H H 121.06 4.76 11.55 18.00 92.21 52.84 -63.81 -41.73 1.39 0.01 98.60 0.55 0.17 0.61 98.37 0.29 0.00 0.00 0.00 9 F H H 127.26 1.73 14.25 15.91 92.00 50.17 -64.85 -41.35 0.28 0.00 99.72 0.08 0.02 0.13 99.68 0.08 0.00 0.00 0.00 10 I H H 97.93 1.84 14.85 16.50 92.21 49.43 -65.07 -41.78 0.12 0.00 99.88 0.03 0.01 0.06 99.87 0.03 0.00 0.00 0.00 11 T H H 60.46 4.68 13.45 19.56 92.14 49.80 -65.03 -41.83 0.07 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 12 I H H 87.92 3.44 15.06 19.33 91.86 49.45 -64.51 -42.17 0.05 0.00 99.95 0.01 0.00 0.03 99.96 0.01 0.00 0.00 0.00 13 T H H 78.23 1.73 16.11 17.20 91.93 49.51 -64.69 -41.66 0.06 0.00 99.94 0.01 0.00 0.04 99.95 0.01 0.00 0.00 0.00 14 S H H 55.35 2.88 14.96 18.44 91.87 50.24 -64.65 -41.11 0.09 0.00 99.91 0.01 0.00 0.07 99.92 0.01 0.00 0.00 0.00 15 M H H 87.41 4.26 14.31 19.66 91.96 50.63 -64.90 -41.45 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 16 I H H 95.75 2.30 15.59 17.96 92.05 50.02 -64.65 -41.68 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 17 M H H 106.47 1.68 15.74 16.81 91.90 49.85 -64.81 -41.35 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 18 T H H 67.16 3.07 14.35 18.08 91.66 50.40 -64.75 -41.75 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 19 L H H 88.03 2.88 14.69 18.18 91.77 50.01 -64.46 -41.66 0.11 0.00 99.89 0.00 0.00 0.08 99.86 0.05 0.00 0.00 0.00 20 F H H 116.75 2.13 14.75 17.04 91.95 49.67 -64.69 -41.46 0.25 0.00 99.75 0.01 0.01 0.21 99.64 0.13 0.00 0.00 0.00 21 I H H 95.43 2.14 14.60 16.74 91.90 49.86 -64.69 -41.62 0.83 0.00 99.16 0.02 0.03 0.79 98.90 0.26 0.00 0.00 0.00 22 L H H 93.49 2.32 14.60 17.02 91.88 49.78 -64.92 -41.29 2.11 0.00 97.89 0.09 0.11 1.91 97.26 0.64 0.00 0.00 0.00 23 F H H 111.11 2.51 14.12 17.21 92.18 49.06 -65.37 -40.76 3.15 0.01 96.84 0.35 0.28 2.39 95.34 1.62 0.00 0.00 0.00 24 Q H H 94.43 2.86 13.48 17.33 91.77 51.76 -64.60 -39.91 3.66 0.03 96.31 0.59 0.35 2.61 93.85 2.57 0.01 0.02 0.01 25 L H H 94.71 2.06 14.01 16.19 91.97 50.76 -65.56 -39.36 4.99 0.05 94.96 0.76 0.51 3.60 91.57 3.50 0.02 0.03 0.02 26 K H H 116.64 2.18 13.40 16.02 92.74 50.82 -66.96 -37.99 8.43 0.10 91.47 1.24 0.97 6.24 87.70 3.71 0.04 0.06 0.04 27 I H H 93.63 3.36 11.43 16.08 93.97 50.11 -69.72 -34.63 14.55 0.29 85.15 2.65 2.18 10.23 79.73 4.80 0.11 0.16 0.14 28 S H H 74.83 2.35 11.25 14.76 93.20 56.45 -71.43 -23.52 29.35 0.58 70.06 6.74 4.19 19.09 62.08 7.14 0.13 0.31 0.32 29 N C H 124.81 1.13 11.74 12.73 96.42 54.47 -84.53 -7.88 51.36 0.68 47.96 8.43 7.18 35.57 40.02 7.92 0.11 0.33 0.43 30 Y C T 145.66 3.57 8.64 13.93 110.75 70.44 -96.63 111.78 65.09 2.55 32.37 21.98 18.02 26.99 23.48 6.91 0.16 1.06 1.42 31 S C C 88.11 1.66 9.77 12.61 113.74 -147.29 -93.41 123.49 82.36 6.58 11.06 51.18 18.91 11.94 7.42 3.63 0.02 2.95 3.95 32 Y C C 155.37 3.78 7.67 13.55 116.25 -161.87 -97.80 130.30 92.99 4.72 2.29 66.40 22.30 4.15 1.12 1.17 0.00 2.60 2.25 33 P C C 90.85 3.34 8.46 13.73 112.49 -113.14 -71.57 147.53 92.77 3.16 4.07 70.83 11.99 9.75 1.41 2.63 0.00 1.78 1.60 34 A C S 96.14 1.15 9.40 11.15 102.43 -132.36 -78.53 -10.79 94.95 1.77 3.28 38.10 46.30 10.83 1.05 1.93 0.00 0.77 1.02 35 S C C 87.72 1.62 9.39 12.12 111.16 25.18 -108.14 99.76 97.15 1.22 1.62 55.06 38.85 3.36 0.73 0.79 0.00 0.51 0.71 36 P C C 80.18 5.85 7.33 15.02 112.18 -144.79 -69.76 145.30 84.34 1.50 14.17 65.51 9.03 9.72 7.83 6.24 0.00 0.76 0.90 37 E C C 136.80 1.96 10.46 13.65 112.89 -121.43 -81.84 140.24 77.72 2.53 19.74 54.68 12.37 10.44 12.69 7.12 0.00 1.22 1.49 38 S C C 77.51 3.30 9.15 14.15 102.52 -114.46 -72.99 13.37 66.78 2.68 30.54 49.47 9.00 8.18 21.17 9.47 0.00 1.42 1.29 39 I C H 106.94 3.64 9.64 14.83 100.41 66.82 -76.62 -23.65 51.90 2.05 46.06 34.09 9.73 8.91 34.75 10.60 0.02 1.07 0.84 40 E H H 120.45 2.72 11.01 14.91 97.99 57.39 -73.74 -29.74 47.85 2.04 50.11 31.41 7.93 9.37 38.00 11.35 0.02 1.11 0.80 41 L H H 90.84 5.08 9.15 15.93 97.10 59.42 -73.09 -29.75 42.18 1.57 56.25 25.61 7.87 9.86 42.93 12.24 0.03 0.83 0.63 42 K H H 132.94 2.70 10.96 14.88 96.51 60.39 -72.85 -29.77 41.80 1.47 56.72 23.44 8.72 11.30 44.46 10.65 0.04 0.73 0.64 43 T H H 89.00 2.72 10.34 14.27 98.53 57.12 -78.85 -22.28 47.72 1.45 50.83 24.55 10.66 14.21 39.32 9.82 0.05 0.68 0.71 44 Q C H 115.59 3.41 9.77 14.69 100.18 61.55 -81.18 -11.66 57.69 1.64 40.67 29.33 13.00 16.79 30.63 8.59 0.04 0.70 0.92 45 K C C 138.49 2.95 9.97 14.46 101.01 71.81 -81.13 -9.60 68.44 1.87 29.69 34.21 15.53 19.61 21.12 7.60 0.02 0.80 1.11 46 H C C 127.39 3.49 9.28 14.42 107.38 74.00 -92.89 66.61 80.97 1.77 17.26 42.52 20.50 18.30 11.63 5.17 0.01 0.73 1.14 47 S C C 83.87 2.27 10.82 14.36 105.64 55.51 -88.67 41.01 91.80 1.34 6.86 49.68 27.95 14.41 3.54 3.00 0.00 0.56 0.87 48 T C C 68.29 5.66 9.13 16.64 114.86 107.17 -102.61 121.56 96.17 1.48 2.36 61.42 32.19 2.52 1.32 0.96 0.00 0.51 1.09 49 P C C 92.28 3.78 11.05 16.51 95.75 -148.24 -66.70 -20.77 82.96 1.25 15.80 33.71 17.04 33.08 6.37 8.47 0.01 0.58 0.74 50 W C C 152.23 5.01 9.65 16.13 100.30 63.39 -87.14 8.55 78.25 2.71 19.04 36.46 12.92 30.12 8.31 9.39 0.01 1.31 1.48 51 E C C 116.12 4.63 11.01 17.21 105.96 102.34 -83.31 68.29 73.54 4.04 22.42 53.64 11.56 8.14 13.83 8.61 0.01 2.02 2.20 52 M C C 99.87 5.23 10.36 17.21 113.27 109.04 -91.33 135.05 67.55 3.61 28.83 48.44 10.92 8.30 21.14 7.62 0.01 1.88 1.69 53 K C H 126.48 3.55 12.19 16.97 103.63 -134.56 -75.93 1.79 51.05 3.32 45.63 29.38 9.98 12.72 32.27 12.41 0.07 1.94 1.22 54 W H H 142.52 6.15 10.35 17.85 96.50 63.37 -71.24 -23.55 43.65 2.63 53.72 18.98 9.55 15.90 35.39 17.52 0.13 1.57 0.96 55 T H H 75.77 6.02 11.01 18.50 98.16 65.98 -77.51 -15.81 40.25 3.12 56.64 18.87 8.44 13.58 37.32 18.71 0.12 1.92 1.03 56 K H H 133.92 3.10 12.53 16.91 98.07 73.39 -78.07 -12.77 44.61 3.85 51.54 21.52 9.89 14.18 32.91 17.68 0.17 2.26 1.38 57 I C H 101.51 4.82 11.16 17.42 103.36 63.67 -89.20 -5.80 53.45 6.11 40.44 24.39 12.52 17.93 26.01 13.05 0.33 3.49 2.28 58 Y C C 123.98 6.40 9.73 17.54 110.40 71.17 -98.02 88.88 63.65 8.23 28.12 33.78 18.66 12.79 17.99 8.51 0.21 3.51 4.55 59 L C C 89.41 4.37 10.40 16.45 112.50 -134.63 -85.53 126.36 72.43 2.04 25.53 51.98 13.32 7.11 11.73 13.77 0.00 1.02 1.07 60 P H G 95.89 3.32 10.33 15.24 95.07 -124.58 -65.74 -27.32 35.34 0.79 63.86 9.71 5.83 20.31 9.50 53.89 0.01 0.47 0.28 61 L H G 127.14 1.88 10.63 13.36 94.94 56.91 -78.00 -15.51 36.05 0.78 63.16 6.73 5.55 23.62 8.27 55.05 0.01 0.45 0.30 62 L H G 107.84 3.56 9.40 14.58 98.95 58.59 -90.14 -1.28 42.08 2.00 55.92 16.96 10.26 16.53 5.06 49.36 0.01 1.06 0.75 63 L C S 100.06 4.42 7.78 14.18 116.06 94.96 -91.60 133.69 97.04 1.71 1.25 32.69 62.70 1.85 0.50 0.53 0.00 0.59 1.14 64 P C C 97.89 2.55 8.48 12.95 115.05 -109.65 -69.15 147.36 98.53 0.84 0.63 81.72 13.66 3.13 0.19 0.41 0.00 0.38 0.51 65 P C C 112.02 1.95 8.03 11.80 110.45 -103.35 -68.51 140.34 98.27 0.88 0.85 94.72 0.98 2.83 0.28 0.31 0.00 0.34 0.55 66 R C C 175.96 2.20 9.34 13.40 111.26 -132.68 -90.52 128.10 99.83 0.13 0.04 99.60 0.19 0.11 0.01 0.00 0.00 0.06 0.03