# 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 100.32 7.32 13.20 21.80 117.37 -155.31 -95.81 134.53 99.88 0.10 0.01 99.66 0.23 0.04 0.01 0.00 0.00 0.05 0.02 1 P C C 86.09 5.72 11.53 18.78 112.42 -106.96 -67.61 148.46 93.69 0.94 5.37 82.59 1.41 10.53 2.66 1.79 0.00 0.53 0.48 2 G C C 47.99 4.90 10.28 16.60 113.29 -126.58 -83.46 166.40 86.86 3.10 10.04 57.16 12.24 17.72 4.95 4.63 0.00 1.56 1.74 3 K C C 143.44 3.06 10.65 15.14 108.19 -103.65 -85.37 94.96 71.82 6.19 21.98 48.00 13.77 9.96 13.43 8.70 0.02 3.47 2.65 4 E C C 121.58 4.91 10.66 17.03 107.37 68.57 -83.69 93.44 63.50 7.13 29.38 42.96 10.95 9.47 19.61 10.08 0.04 4.58 2.32 5 S C C 67.66 6.45 10.66 18.34 105.68 111.66 -84.18 49.05 63.54 5.78 30.68 43.82 9.49 10.05 20.49 10.50 0.02 3.70 1.93 6 T C C 87.27 5.01 12.07 18.38 104.57 97.50 -85.99 11.57 63.87 5.43 30.69 36.74 13.55 14.02 21.16 9.40 0.05 3.29 1.80 7 A C C 69.30 5.04 12.41 18.75 103.49 77.04 -84.06 8.06 66.09 4.65 29.26 35.06 18.72 13.04 21.38 7.47 0.07 2.63 1.62 8 L C C 78.59 9.11 10.64 20.79 113.09 96.07 -90.33 131.38 72.61 3.70 23.69 41.21 25.55 6.43 18.74 4.81 0.03 1.84 1.39 9 P C C 76.68 5.77 13.88 20.94 108.02 -111.14 -69.41 145.62 71.47 3.50 25.02 56.35 6.71 7.95 18.58 6.94 0.00 2.33 1.14 10 R C C 144.73 5.12 12.54 19.11 109.69 -116.65 -85.65 118.59 62.12 8.06 29.82 44.48 8.52 8.58 20.08 10.32 0.03 5.15 2.84 11 L C C 91.26 8.32 10.85 20.16 108.28 -127.28 -82.78 108.60 60.61 8.74 30.64 39.43 9.97 10.99 17.99 13.04 0.05 5.90 2.61 12 H C C 123.42 5.30 12.44 19.10 107.31 60.85 -91.91 80.27 66.61 8.42 24.98 37.29 13.78 16.25 13.52 11.13 0.08 5.44 2.51 13 T C C 94.11 3.75 13.21 18.34 111.33 72.00 -100.61 100.70 75.07 7.15 17.78 41.92 19.48 14.56 8.84 8.38 0.05 4.18 2.59 14 L C C 79.75 9.54 9.73 20.29 116.74 -146.12 -85.23 138.85 93.16 3.63 3.22 61.72 28.92 2.85 1.93 1.20 0.00 1.86 1.52 15 P C C 84.57 5.57 12.43 19.46 108.59 -106.19 -67.33 140.76 88.90 2.61 8.49 70.08 8.87 9.94 3.38 5.02 0.00 1.64 1.07 16 T C C 96.12 4.42 11.70 17.61 109.23 -151.48 -91.01 94.29 83.53 4.84 11.64 49.58 16.35 17.87 3.97 7.50 0.01 2.75 1.97 17 S C C 80.57 3.71 12.85 17.78 108.69 55.59 -91.85 88.08 81.33 6.33 12.35 47.02 20.47 14.36 4.68 7.34 0.01 3.63 2.47 18 L C C 74.68 10.93 10.03 21.52 115.44 -143.88 -91.85 130.60 83.66 5.34 10.99 52.97 26.64 4.33 7.70 3.39 0.01 2.82 2.14 19 P C C 80.30 5.61 14.86 21.62 109.88 -114.39 -70.30 141.58 76.81 4.74 18.45 58.25 8.30 9.87 12.15 6.70 0.01 3.19 1.54 20 L C C 96.97 7.47 12.91 21.44 112.62 -131.33 -87.23 127.81 63.97 11.33 24.70 42.86 10.35 10.44 16.34 8.85 0.07 7.30 3.78 21 A C C 51.46 9.69 11.67 22.31 113.32 -135.34 -89.07 134.67 60.52 12.25 27.23 40.42 11.10 8.81 19.69 8.12 0.08 8.60 3.19 22 T C C 70.29 6.95 13.03 21.15 113.05 -149.21 -92.10 144.70 58.64 10.04 31.32 37.85 12.16 9.08 24.12 7.23 0.08 6.80 2.68 23 Q C H 125.29 3.42 13.85 18.33 97.88 -112.21 -70.73 -29.96 54.13 4.93 40.93 22.43 13.44 19.87 31.36 8.03 0.20 3.17 1.50 24 N C H 94.78 4.82 14.11 19.97 99.98 54.68 -80.38 -2.84 58.12 2.65 39.23 25.31 12.11 22.22 30.35 7.43 0.08 1.48 1.02 25 H H H 76.39 11.95 12.02 24.13 96.92 79.42 -72.85 -22.67 43.83 3.46 52.70 27.55 8.82 9.32 42.29 8.70 0.06 2.04 1.21 26 E H H 100.46 6.35 15.28 22.70 95.73 66.32 -68.56 -34.96 33.05 4.30 62.66 17.92 7.04 10.42 50.18 10.17 0.16 2.98 1.13 27 N H H 84.11 4.90 16.40 21.84 95.79 53.26 -70.50 -33.40 32.75 5.37 61.89 17.86 6.61 10.40 48.89 10.85 0.17 3.96 1.25 28 I H H 59.52 10.32 14.01 25.30 95.72 55.04 -70.28 -37.21 29.47 8.32 62.21 15.00 6.71 10.31 49.39 10.05 0.37 6.49 1.68 29 F H H 79.57 11.05 13.02 24.60 98.59 51.82 -78.62 -26.30 34.99 11.12 53.88 18.49 8.35 11.47 43.40 7.33 0.53 7.59 2.85 30 N C H 100.34 3.93 14.56 19.45 99.35 59.36 -78.93 -20.86 49.80 6.59 43.61 26.09 10.84 14.68 35.86 6.24 0.18 4.31 1.80 31 E C H 125.41 3.69 13.28 18.04 98.38 55.47 -78.60 -17.04 54.38 3.54 42.08 17.04 12.58 26.35 32.76 7.55 0.28 2.02 1.41 32 S C T 63.78 6.59 11.87 19.58 101.66 51.68 -88.72 0.31 65.35 2.04 32.61 16.76 14.36 34.99 24.65 7.05 0.12 1.02 1.05 33 G C T 45.08 5.28 13.63 19.98 104.71 -95.73 65.59 -8.23 71.38 2.71 25.91 22.58 21.87 27.86 17.81 7.23 0.08 1.36 1.21 34 E C C 113.30 5.68 13.89 20.58 106.17 75.13 -85.36 77.03 57.45 7.30 35.24 33.90 12.65 11.96 27.15 7.55 0.11 4.38 2.30 35 L H H 86.11 8.85 12.95 22.65 100.43 80.33 -78.82 -15.45 34.35 9.61 56.04 18.90 7.52 10.46 39.81 13.90 0.32 6.97 2.12 36 G H H 36.30 8.66 15.40 24.66 103.51 66.05 -67.34 -26.25 26.97 10.05 62.98 11.72 5.55 10.99 42.82 18.74 0.42 8.27 1.49 37 H H H 103.93 8.31 16.05 24.83 102.84 55.18 -84.85 5.84 23.71 12.39 63.89 10.52 4.74 9.51 42.63 20.20 0.33 10.65 1.44 38 L H H 74.49 11.52 15.12 26.72 103.33 72.83 -85.21 10.63 27.43 13.77 58.79 12.17 5.60 10.99 39.43 18.07 0.46 11.38 1.90 39 F C H 107.35 9.41 17.10 26.72 107.60 54.79 -93.79 72.10 45.69 13.47 40.84 12.77 7.74 24.82 29.23 11.59 0.61 10.80 2.44 40 G C T 31.44 10.50 18.33 28.79 113.58 -42.66 113.47 146.43 67.68 12.07 20.25 22.35 13.33 32.84 13.57 6.41 0.13 9.30 2.07 41 I C C 49.31 15.97 14.46 30.39 118.67 -97.76 -101.63 138.20 75.37 18.32 6.31 55.29 16.56 2.90 5.51 1.43 0.02 11.12 7.16 42 S C C 38.93 8.86 17.15 27.06 119.30 -125.38 -81.56 160.10 88.16 8.29 3.55 83.88 3.41 0.86 3.63 0.42 0.00 5.18 2.61 43 E H H 119.61 4.71 16.23 22.15 92.62 -111.61 -60.87 -36.27 3.70 0.06 96.24 1.05 0.76 1.97 95.12 1.05 0.01 0.03 0.02 44 E H H 114.05 3.01 18.74 21.84 92.35 52.70 -65.11 -39.93 2.20 0.06 97.75 0.53 0.32 1.39 96.55 1.16 0.01 0.04 0.01 45 V H H 30.59 14.45 15.24 30.32 92.47 48.68 -66.06 -41.60 1.25 0.04 98.70 0.39 0.17 0.69 97.49 1.21 0.00 0.03 0.00 46 L H H 49.78 12.35 16.55 29.47 91.95 50.69 -63.95 -41.53 1.23 0.03 98.73 0.37 0.16 0.66 98.07 0.70 0.00 0.02 0.00 47 K H H 119.97 2.44 21.78 23.44 92.06 50.07 -64.59 -41.29 3.33 0.07 96.61 0.76 0.36 2.18 95.87 0.77 0.01 0.05 0.01 48 L H H 67.32 6.91 19.52 27.16 92.30 49.11 -66.09 -39.80 5.01 0.07 94.92 0.98 0.58 3.35 94.14 0.86 0.01 0.04 0.02 49 G H H 11.69 15.39 15.03 31.18 92.67 53.46 -64.53 -40.50 7.37 0.14 92.48 2.76 1.16 3.75 90.47 1.72 0.02 0.08 0.05 50 V H H 68.68 6.95 18.97 26.58 92.52 50.89 -65.27 -40.57 8.85 0.29 90.85 3.09 1.32 4.97 87.25 3.06 0.03 0.20 0.08 51 H H H 116.40 2.74 20.40 22.64 93.09 48.96 -67.31 -38.91 10.98 0.42 88.60 3.64 1.65 6.26 84.74 3.26 0.05 0.27 0.13 52 F H H 81.01 9.65 16.72 27.04 94.52 49.33 -69.84 -37.35 17.67 0.64 81.69 5.87 3.00 9.90 76.97 3.58 0.08 0.37 0.24 53 M H H 70.96 11.17 14.85 26.46 95.11 55.17 -72.42 -29.47 29.33 1.07 69.60 12.09 5.04 14.05 63.90 3.85 0.07 0.56 0.45 54 A H H 56.73 4.96 16.15 22.03 96.09 65.36 -67.38 -36.92 40.41 1.63 57.96 18.76 8.96 14.92 51.20 4.60 0.08 0.81 0.67 55 K C H 115.85 4.14 16.25 20.98 97.13 51.38 -72.87 -27.83 50.37 2.24 47.39 28.16 7.50 15.95 41.27 5.00 0.04 1.16 0.92 56 A C H 46.48 9.83 11.13 21.94 97.48 68.08 -72.39 -26.22 54.06 2.38 43.56 33.16 9.44 12.56 36.42 6.17 0.03 1.18 1.03 57 D C C 96.80 4.08 13.14 18.40 97.19 67.07 -74.87 -19.40 61.61 2.49 35.90 35.50 11.19 15.48 28.65 6.80 0.03 1.25 1.10 58 T C C 97.19 2.62 12.38 15.85 99.98 58.17 -86.26 -4.99 67.75 2.58 29.67 32.94 17.29 18.45 21.56 7.29 0.05 1.17 1.27 59 T C C 77.97 5.67 9.72 16.93 107.97 72.13 -92.54 77.61 75.00 2.99 22.02 43.66 17.64 13.98 14.79 6.87 0.02 1.30 1.73 60 A C T 79.20 3.48 10.37 15.54 102.98 157.79 -74.97 5.65 85.79 1.63 12.58 29.55 15.94 41.17 6.28 5.43 0.01 0.79 0.83 61 D C T 120.28 1.80 12.27 14.75 102.19 37.64 -86.67 27.22 92.02 1.27 6.71 33.32 18.52 40.85 2.10 4.00 0.00 0.63 0.58 62 L C C 78.46 7.64 9.24 18.51 117.65 135.30 -91.47 137.12 96.63 2.00 1.37 61.84 33.77 1.27 0.72 0.53 0.00 0.75 1.12 63 P C C 88.16 3.97 13.21 18.48 112.36 -106.46 -67.60 147.30 90.59 3.48 5.93 78.64 7.17 4.78 2.91 2.79 0.00 1.87 1.85 64 V C C 87.66 7.74 10.89 19.89 111.94 -126.63 -84.20 131.85 78.89 7.62 13.49 59.49 11.28 7.62 6.25 7.32 0.01 4.15 3.89 65 A C C 58.42 7.65 10.39 19.38 110.32 -111.91 -79.00 134.21 77.27 7.39 15.34 56.49 10.69 9.64 6.52 8.98 0.01 4.52 3.14 66 K C C 152.04 2.48 12.10 15.93 105.63 -154.31 -89.64 42.11 79.34 5.81 14.85 48.06 18.25 13.28 6.55 8.02 0.01 3.21 2.61 67 S C C 64.19 5.00 9.79 16.53 114.31 69.89 -97.98 130.81 86.38 3.64 9.98 54.19 20.58 11.77 4.51 5.22 0.00 1.82 1.91 68 T C C 106.14 2.95 10.13 14.85 98.68 -150.47 -81.48 -9.16 90.10 2.03 7.88 56.61 15.34 18.33 2.61 5.04 0.00 1.10 0.97 69 T C C 107.23 1.82 11.01 13.44 99.98 65.35 -89.03 -3.13 91.00 2.35 6.65 53.91 17.23 19.95 1.70 4.88 0.00 1.27 1.06 70 A C C 59.01 6.01 9.49 17.29 114.32 91.05 -87.44 144.53 89.61 4.38 6.01 57.78 24.14 7.79 1.54 4.27 0.00 2.15 2.34 71 K C C 145.12 2.84 14.24 18.56 116.67 -122.43 -94.78 133.54 96.26 3.21 0.53 66.89 28.93 0.73 0.28 0.21 0.00 1.35 1.62 72 P C C 50.77 13.33 10.00 23.56 115.32 -107.70 -67.80 148.74 98.49 0.96 0.55 92.22 5.66 0.73 0.34 0.16 0.00 0.44 0.45 73 P C C 63.81 5.97 14.50 22.06 111.32 -103.58 -66.06 148.22 93.97 2.20 3.83 86.83 4.91 1.88 3.21 0.69 0.00 0.74 1.74 74 Y H H 141.92 5.16 13.01 19.68 95.38 -116.58 -63.73 -36.49 26.63 0.60 72.77 15.49 7.28 5.93 69.05 1.73 0.02 0.22 0.28 75 T H H 82.59 3.01 15.66 19.04 93.17 55.21 -65.82 -39.23 11.37 0.32 88.30 5.05 1.97 4.90 86.15 1.63 0.01 0.17 0.12 76 F H H 81.33 7.93 14.47 23.66 93.28 50.30 -66.65 -40.03 5.24 0.21 94.56 2.58 0.76 2.16 92.94 1.37 0.01 0.12 0.07 77 R H H 87.10 10.35 15.14 26.29 92.63 51.84 -65.04 -41.13 2.03 0.05 97.91 1.03 0.26 0.77 97.36 0.54 0.00 0.03 0.02 78 T H H 67.27 4.37 17.71 22.51 92.48 50.38 -65.17 -41.34 1.10 0.02 98.88 0.45 0.13 0.50 98.66 0.25 0.00 0.01 0.00 79 A H H 51.39 4.42 18.60 23.51 92.26 50.37 -64.73 -42.26 0.62 0.01 99.37 0.20 0.06 0.31 99.30 0.13 0.00 0.00 0.00 80 W H H 88.03 9.64 17.53 27.94 92.36 49.44 -65.11 -41.92 0.29 0.00 99.70 0.08 0.02 0.15 99.68 0.06 0.00 0.00 0.00 81 A H H 38.33 8.79 17.31 27.39 91.74 51.50 -63.43 -41.67 0.19 0.00 99.81 0.04 0.01 0.10 99.81 0.03 0.00 0.00 0.00 82 L H H 89.68 3.53 20.02 23.27 92.02 50.25 -64.76 -41.71 0.12 0.00 99.88 0.02 0.01 0.07 99.89 0.02 0.00 0.00 0.00 83 L H H 74.28 6.21 19.33 25.86 91.98 49.61 -64.79 -42.02 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.01 0.00 0.00 0.00 84 L H H 54.64 11.02 17.82 29.41 92.03 49.96 -64.76 -41.77 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 85 L H H 75.95 6.52 19.45 26.64 91.95 50.29 -64.41 -41.55 0.25 0.00 99.74 0.02 0.01 0.18 99.76 0.02 0.00 0.00 0.00 86 A H H 53.29 3.94 20.28 24.08 91.93 50.27 -64.65 -41.49 0.47 0.00 99.53 0.04 0.02 0.35 99.55 0.04 0.00 0.00 0.00 87 I H H 61.61 8.22 19.16 28.03 92.17 49.20 -64.93 -42.01 0.73 0.00 99.27 0.08 0.04 0.52 99.31 0.06 0.00 0.00 0.00 88 N H H 53.24 11.17 18.04 29.67 92.15 50.99 -64.53 -41.06 1.04 0.00 98.95 0.17 0.06 0.69 99.00 0.07 0.00 0.00 0.00 89 F H H 107.54 4.86 19.92 25.10 92.34 50.23 -64.97 -41.94 0.43 0.00 99.57 0.06 0.03 0.29 99.56 0.07 0.00 0.00 0.00 90 I H H 83.20 4.67 20.40 25.04 92.15 49.05 -64.62 -42.69 0.25 0.00 99.75 0.04 0.01 0.16 99.71 0.07 0.00 0.00 0.00 91 V H H 49.11 8.98 18.47 28.34 92.13 48.74 -64.65 -42.66 0.33 0.00 99.67 0.04 0.02 0.23 99.59 0.12 0.00 0.00 0.00 92 A H H 38.38 7.95 17.14 26.43 91.78 51.23 -63.80 -41.34 0.71 0.00 99.29 0.07 0.04 0.53 99.07 0.29 0.00 0.00 0.00 93 A H H 52.41 3.72 17.91 22.10 91.85 51.13 -64.52 -40.36 2.53 0.01 97.46 0.18 0.14 2.10 96.86 0.71 0.00 0.00 0.00 94 Y H H 109.31 4.70 17.08 22.43 92.50 50.16 -65.95 -40.21 5.86 0.03 94.11 0.48 0.39 4.80 93.06 1.22 0.01 0.01 0.01 95 Y H H 91.14 7.58 14.36 23.04 93.35 49.67 -70.17 -35.32 12.49 0.19 87.32 2.10 1.32 9.06 84.71 2.59 0.04 0.10 0.08 96 F H H 107.86 4.60 13.14 19.17 92.81 56.61 -66.88 -35.12 23.62 0.77 75.61 5.57 2.89 15.28 68.62 6.75 0.12 0.47 0.30 97 H H H 126.69 2.28 13.07 15.92 94.11 55.21 -71.09 -27.85 36.84 1.10 62.06 7.39 3.77 25.11 55.21 7.26 0.13 0.72 0.40 98 I H H 103.28 3.86 11.20 16.26 96.75 53.10 -76.84 -28.92 43.32 3.63 53.05 14.41 6.25 23.74 46.26 5.69 0.21 2.29 1.14 99 I C C 101.05 4.81 8.71 15.08 101.81 56.46 -86.31 -4.54 56.63 5.88 37.49 38.95 2.79 14.75 34.79 2.90 0.05 3.31 2.47 100 E C C 139.93 2.53 12.22 16.07 104.03 -149.54 -78.10 78.71 99.67 0.24 0.09 99.43 0.16 0.16 0.06 0.01 0.00 0.16 0.03