# 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 108.26 6.69 12.69 20.72 115.42 -164.08 -97.74 131.20 99.57 0.37 0.07 99.38 0.22 0.10 0.03 0.01 0.00 0.19 0.07 1 A C C 72.17 5.11 10.46 17.24 113.08 -128.07 -78.94 138.02 90.11 3.42 6.47 82.59 1.87 6.42 1.94 3.61 0.00 2.04 1.53 2 H C C 140.70 3.36 9.72 14.88 112.10 -135.38 -90.59 123.68 84.51 4.83 10.66 47.39 13.96 23.21 2.07 8.61 0.00 2.80 1.96 3 G C C 50.76 3.87 10.54 16.09 110.26 8.39 91.27 17.24 82.78 5.50 11.72 42.13 17.74 23.29 2.08 9.51 0.01 2.95 2.29 4 H C C 128.37 4.72 9.87 16.14 111.58 126.87 -92.99 117.82 81.23 7.29 11.48 42.70 19.03 20.10 2.67 8.43 0.01 3.61 3.45 5 G C C 50.39 3.91 11.50 16.90 108.12 -36.85 84.25 -0.44 86.26 4.78 8.95 41.50 22.93 22.32 1.82 6.92 0.01 2.37 2.14 6 H C C 128.57 4.59 10.25 16.48 109.99 113.96 -90.62 105.22 82.62 4.72 12.67 44.02 18.85 19.84 2.37 10.37 0.00 2.36 2.18 7 E C C 134.48 3.23 10.64 15.57 109.24 -156.86 -91.21 106.46 83.61 4.87 11.52 42.90 20.16 20.83 2.21 9.23 0.00 2.43 2.23 8 H C C 133.25 3.78 10.09 15.62 109.71 99.22 -95.09 101.40 86.45 4.83 8.72 45.85 24.58 16.11 2.00 6.57 0.00 2.21 2.67 9 G C C 40.08 5.20 10.80 17.55 126.44 -61.12 128.61 174.04 93.62 3.35 3.03 52.75 31.21 9.56 0.67 2.45 0.00 1.54 1.82 10 P C C 98.84 3.38 10.63 15.50 107.75 -60.33 -73.53 131.67 90.99 2.33 6.68 50.06 23.61 16.82 1.13 6.07 0.00 1.16 1.15 11 S C C 81.51 3.10 10.28 15.04 108.37 -108.49 -79.78 118.86 89.62 2.37 8.02 50.84 21.77 16.22 1.15 7.74 0.00 1.26 1.01 12 K C C 155.39 2.06 11.62 14.85 106.33 -90.22 -84.50 79.76 88.54 4.65 6.80 60.60 17.22 10.05 1.10 6.47 0.00 2.96 1.59 13 M C C 86.32 9.92 8.26 18.86 116.39 -137.01 -93.01 134.12 83.29 14.51 2.20 73.04 7.65 1.89 0.60 1.70 0.00 10.52 4.60 14 E C C 141.68 2.00 16.77 19.33 116.80 -142.15 -94.21 136.24 74.74 24.50 0.76 69.66 4.16 0.63 0.32 0.48 0.00 13.48 11.27 15 L C C 79.34 13.28 11.38 24.64 115.53 -117.86 -81.42 135.43 94.55 5.38 0.07 91.00 3.75 0.12 0.03 0.04 0.00 4.05 1.01 16 P C C 39.34 13.27 11.32 25.49 115.28 -107.19 -65.57 149.79 98.67 1.23 0.10 95.25 3.39 0.24 0.03 0.04 0.00 0.63 0.42 17 D C C 85.87 3.31 16.95 20.82 108.04 -117.33 -83.72 114.51 98.81 0.87 0.31 97.69 1.02 0.22 0.10 0.10 0.00 0.25 0.61 18 Y H G 103.46 12.69 8.81 21.82 92.51 -160.78 -66.81 -21.07 37.44 0.54 62.02 6.83 4.37 24.89 3.59 59.81 0.00 0.34 0.18 19 K H G 160.39 1.27 13.64 15.22 91.26 68.02 -69.92 -19.34 37.11 0.60 62.28 3.10 4.46 28.15 3.26 60.45 0.01 0.37 0.21 20 Q H G 116.96 2.85 13.14 16.90 96.64 58.30 -82.82 -19.25 33.26 1.91 64.83 6.57 7.43 20.16 3.18 60.93 0.01 1.29 0.44 21 W C C 83.33 13.18 9.11 22.36 123.25 58.55 -116.36 137.34 78.80 10.59 10.61 58.04 16.56 4.28 3.07 7.55 0.01 7.12 3.38 22 K C C 137.58 3.02 16.78 21.13 119.40 -162.38 -113.09 130.59 81.40 16.70 1.90 76.22 3.56 1.33 0.80 1.01 0.00 12.37 4.71 23 I C C 53.63 15.49 9.01 23.98 112.74 -160.61 -104.03 110.99 76.45 21.35 2.20 71.15 2.86 1.53 1.03 1.16 0.00 15.52 6.74 24 E C T 140.11 2.13 13.51 17.01 117.57 -162.64 -89.70 138.69 87.70 10.58 1.72 28.26 9.66 50.99 0.50 1.06 0.00 7.86 1.66 25 G C T 65.45 0.65 15.45 14.40 95.07 13.52 76.06 6.04 97.77 1.34 0.89 12.79 22.04 63.04 0.13 0.78 0.00 0.92 0.30 26 T C C 32.87 15.14 7.14 21.65 119.57 132.60 -94.51 140.64 97.38 1.53 1.09 69.64 26.22 1.33 0.55 0.48 0.00 0.53 1.24 27 P C T 90.29 3.52 17.28 21.28 94.82 -122.70 -64.41 -18.75 92.66 0.69 6.65 10.37 12.20 70.36 4.03 2.28 0.00 0.35 0.40 28 L C T 45.09 14.40 11.46 26.12 99.43 54.83 -97.94 25.52 91.47 0.35 8.17 22.79 6.43 62.74 5.53 2.13 0.00 0.16 0.21 29 E H H 91.45 7.37 14.33 23.46 93.48 123.38 -60.69 -39.94 8.09 0.08 91.83 5.33 1.26 1.84 90.58 0.92 0.00 0.03 0.03 30 T H H 87.96 1.71 19.77 20.16 91.86 52.66 -64.42 -39.87 2.76 0.05 97.20 1.31 0.35 1.09 96.57 0.64 0.00 0.03 0.01 31 V H H 31.20 11.52 16.66 29.52 92.12 49.20 -65.76 -41.42 1.32 0.04 98.63 0.59 0.17 0.57 97.98 0.64 0.00 0.03 0.01 32 Q H H 36.56 15.54 14.69 30.53 91.81 52.45 -62.75 -42.03 0.76 0.02 99.22 0.31 0.09 0.32 99.03 0.24 0.00 0.01 0.00 33 E H H 109.52 2.40 21.69 23.13 91.57 50.11 -63.91 -41.07 0.96 0.01 99.02 0.26 0.10 0.53 98.92 0.19 0.00 0.01 0.00 34 K H H 99.82 3.40 19.92 23.25 91.71 50.04 -65.01 -40.86 1.20 0.01 98.79 0.24 0.13 0.75 98.61 0.25 0.00 0.01 0.00 35 L H H 15.00 15.17 12.37 28.88 91.56 50.37 -64.40 -41.24 1.68 0.02 98.30 0.38 0.20 1.01 97.79 0.60 0.00 0.01 0.01 36 A H H 50.41 7.85 14.06 23.23 91.89 51.97 -63.62 -39.56 3.07 0.02 96.90 0.46 0.23 2.23 94.97 2.08 0.01 0.01 0.01 37 A H H 90.37 0.97 15.54 15.60 90.53 54.64 -66.10 -28.08 12.11 0.05 87.84 0.51 0.58 11.49 85.73 1.59 0.04 0.02 0.03 38 R C T 141.58 3.53 13.16 17.97 93.67 50.71 -90.46 2.32 78.62 0.07 21.30 0.51 1.84 75.95 20.21 1.36 0.01 0.03 0.08 39 G C T 57.44 1.56 16.54 17.72 96.67 -106.67 81.75 12.42 99.51 0.03 0.46 1.89 2.09 95.70 0.18 0.12 0.00 0.02 0.01 40 L C C 48.34 14.55 9.31 23.80 112.60 138.41 -91.14 122.62 98.43 0.58 0.99 93.98 2.93 1.64 0.31 0.49 0.00 0.24 0.40 41 R C C 159.41 3.82 17.89 22.46 103.15 160.25 -99.68 -3.27 98.08 1.02 0.91 80.53 14.74 2.55 0.31 0.56 0.00 0.38 0.93 42 D C C 41.42 12.37 13.13 26.71 108.84 114.45 -93.22 112.14 98.98 0.72 0.30 74.61 23.67 0.54 0.17 0.10 0.00 0.18 0.73 43 P H T 75.64 6.46 17.51 25.56 92.04 -157.57 -62.91 -29.06 45.37 0.28 54.36 3.64 5.15 34.32 30.21 26.17 0.10 0.13 0.28 44 W H H 116.64 8.37 18.56 27.42 92.17 57.79 -66.45 -37.03 37.99 0.23 61.78 1.55 2.89 31.18 33.13 30.76 0.15 0.11 0.22 45 G H H 10.30 16.76 15.69 32.68 93.19 49.89 -67.84 -37.32 24.87 0.38 74.75 2.94 2.91 16.66 39.81 37.17 0.12 0.20 0.19 46 R H H 90.08 12.41 18.86 31.14 92.33 53.37 -68.09 -34.75 23.89 0.57 75.54 4.87 3.45 13.96 42.69 34.33 0.12 0.30 0.29 47 N H G 66.70 9.07 20.94 30.44 95.43 50.23 -81.88 -18.70 45.36 1.04 53.60 8.20 6.76 28.18 27.09 28.36 0.17 0.53 0.69 48 E C C 50.59 12.78 19.22 32.42 97.06 58.64 -82.19 -4.50 53.04 5.39 41.56 27.10 9.35 16.78 23.30 17.46 0.11 1.77 4.12 49 A H G 21.10 15.88 16.84 33.24 92.69 94.45 -59.63 -41.09 11.02 0.25 88.73 1.91 1.31 7.07 34.71 54.75 0.01 0.18 0.05 50 W H G 100.49 9.51 18.83 29.05 91.68 52.57 -66.56 -31.57 8.58 0.16 91.26 1.00 0.83 6.20 34.69 57.12 0.01 0.12 0.03 51 R H G 101.58 8.60 17.95 27.27 92.95 55.55 -70.75 -29.70 9.44 0.26 90.30 1.79 1.25 5.88 34.86 55.97 0.01 0.19 0.04 52 Y H H 83.39 12.28 14.66 27.26 96.37 55.43 -80.39 -22.51 37.02 3.67 59.31 12.75 9.64 15.86 30.96 26.72 0.49 1.87 1.72 53 M C T 94.80 7.87 14.27 23.09 100.65 58.57 -88.47 9.70 68.26 3.91 27.83 17.18 23.19 28.73 18.27 8.25 0.30 1.63 2.45 54 G C T 51.43 3.48 14.89 19.37 102.00 -77.72 73.30 1.20 83.83 0.94 15.23 15.80 21.48 47.02 6.33 8.24 0.01 0.44 0.69 55 G C T 43.53 5.40 13.93 20.49 104.63 -20.06 75.25 -36.31 81.99 1.59 16.42 25.65 21.27 35.82 5.01 10.54 0.01 0.71 1.00 56 F C C 109.77 8.53 11.98 21.26 99.43 57.58 -83.98 -5.25 76.20 3.48 20.33 36.07 18.03 23.19 7.42 11.64 0.03 1.59 2.03 57 A C C 59.29 7.61 12.13 20.93 105.42 79.24 -84.04 14.83 79.08 2.25 18.67 41.54 19.66 18.49 9.20 8.73 0.01 1.00 1.36 58 N C C 95.93 4.58 13.43 19.30 110.60 86.69 -91.98 117.68 77.35 1.60 21.04 37.64 25.63 14.78 14.73 5.55 0.02 0.60 1.06 59 N C H 108.50 4.46 13.03 18.80 98.76 -129.56 -72.18 -4.81 52.89 1.18 45.94 26.69 14.59 13.57 39.47 4.57 0.05 0.47 0.61 60 V H H 84.72 5.13 13.25 19.55 100.05 79.37 -78.94 -24.53 34.09 1.20 64.71 19.60 6.64 9.86 58.80 3.98 0.04 0.62 0.45 61 S H H 51.23 6.79 13.22 21.40 96.93 64.28 -69.31 -38.65 20.93 1.38 77.69 12.45 4.03 6.80 70.76 4.60 0.06 0.89 0.41 62 F H H 110.53 4.91 14.69 20.64 93.81 52.31 -66.94 -39.43 11.07 0.79 88.15 4.63 2.28 5.58 81.34 5.26 0.13 0.56 0.22 63 V H H 74.27 4.67 15.26 21.00 93.29 50.80 -66.56 -40.35 9.33 0.53 90.15 2.68 1.69 5.81 83.40 5.71 0.18 0.36 0.17 64 G H H 28.86 7.10 14.07 22.72 93.90 50.93 -66.19 -38.66 13.02 0.32 86.66 2.00 1.85 9.66 79.65 6.25 0.26 0.19 0.14 65 A H H 56.04 6.12 14.47 21.77 94.02 49.80 -69.99 -35.72 25.06 0.28 74.65 1.52 2.64 21.11 68.14 5.83 0.43 0.13 0.19 66 L H H 100.72 3.93 15.73 20.23 96.00 43.35 -75.61 -32.13 43.43 0.66 55.90 2.45 5.51 35.07 50.98 4.55 0.65 0.28 0.51 67 L C H 84.83 6.38 14.38 21.79 99.84 45.86 -90.70 -15.91 56.14 3.36 40.50 15.79 16.63 25.58 32.49 5.33 0.74 1.30 2.14 68 K C T 108.17 6.71 15.17 23.06 108.75 97.33 -67.98 126.79 68.87 1.13 30.00 6.68 6.50 53.63 27.14 4.62 0.16 0.55 0.72 69 G C T 31.98 9.02 16.01 25.71 97.99 24.26 79.01 -6.41 60.37 0.42 39.21 6.39 5.54 46.80 36.19 4.51 0.08 0.19 0.30 70 F H H 87.50 10.23 14.88 25.89 94.45 96.14 -64.29 -39.87 11.46 0.12 88.42 5.61 2.11 4.56 85.61 1.98 0.01 0.05 0.06 71 K H H 123.84 3.60 19.06 22.83 92.48 51.46 -64.99 -40.70 4.25 0.04 95.71 1.14 0.55 2.53 94.76 0.99 0.01 0.02 0.01 72 W H H 130.43 4.49 19.64 24.37 92.29 49.14 -66.32 -40.89 1.70 0.01 98.28 0.38 0.18 1.05 97.83 0.55 0.00 0.01 0.00 73 G H H 14.69 13.11 16.10 30.26 91.98 51.72 -63.96 -42.31 0.50 0.00 99.50 0.11 0.04 0.26 99.47 0.11 0.00 0.00 0.00 74 F H H 90.42 7.77 20.05 28.08 91.85 50.58 -63.82 -42.30 0.09 0.00 99.91 0.01 0.01 0.05 99.91 0.02 0.00 0.00 0.00 75 A H H 54.00 3.44 21.52 24.54 91.30 50.06 -63.83 -42.22 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 76 A H H 40.16 7.80 19.82 28.46 91.77 50.35 -64.69 -42.01 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 77 F H H 66.39 12.36 19.32 31.75 92.07 50.24 -64.26 -42.25 0.02 0.00 99.98 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 78 V H H 74.34 5.25 21.78 27.04 91.54 50.62 -63.93 -42.55 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 79 V H H 78.65 3.56 22.23 25.35 91.72 48.62 -64.31 -42.34 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 80 A H H 31.38 9.93 18.95 29.91 91.86 49.93 -64.42 -42.57 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 81 I H H 62.43 8.86 19.66 29.01 91.82 49.48 -64.10 -42.30 0.12 0.00 99.88 0.00 0.00 0.09 99.89 0.01 0.00 0.00 0.00 82 G H H 33.19 3.52 20.08 23.51 91.38 50.52 -63.32 -42.52 0.24 0.00 99.76 0.02 0.01 0.18 99.76 0.04 0.00 0.00 0.00 83 A H H 48.53 4.31 18.90 23.66 91.48 50.39 -64.20 -42.10 0.39 0.00 99.61 0.03 0.02 0.28 99.54 0.13 0.00 0.00 0.00 84 E H H 64.49 8.55 16.24 25.95 91.91 50.26 -64.75 -41.06 0.72 0.00 99.28 0.07 0.04 0.54 99.06 0.31 0.00 0.00 0.00 85 Y H H 113.08 5.02 16.43 22.33 92.04 50.83 -64.93 -40.68 1.74 0.01 98.26 0.17 0.10 1.35 97.71 0.66 0.00 0.00 0.00 86 Y H H 136.00 2.36 16.19 18.35 92.13 50.12 -65.84 -40.16 4.66 0.01 95.33 0.46 0.33 3.66 94.49 1.03 0.01 0.01 0.00 87 L H H 91.92 3.74 14.62 19.12 93.48 48.51 -70.06 -36.19 12.99 0.08 86.93 1.75 1.50 9.75 85.06 1.82 0.03 0.03 0.04 88 E H H 95.99 5.56 12.47 19.36 95.78 51.77 -75.94 -27.03 29.25 0.42 70.33 8.52 5.75 16.25 65.81 3.19 0.07 0.17 0.24 89 S H H 63.22 3.82 12.08 17.30 97.24 62.40 -70.87 -31.20 44.07 0.89 55.04 21.10 7.88 16.73 46.19 7.17 0.04 0.41 0.46 90 Q C H 117.79 2.76 12.31 16.01 97.98 61.20 -77.56 -15.86 54.48 1.24 44.28 27.03 9.21 19.44 34.35 8.72 0.03 0.58 0.65 91 K C C 113.46 4.86 9.71 16.16 103.15 70.75 -86.61 19.10 65.57 1.31 33.12 40.59 10.64 14.30 24.74 8.37 0.01 0.58 0.76 92 K C C 130.24 3.48 10.02 15.03 102.56 108.87 -78.13 -3.08 66.45 1.28 32.27 34.15 10.63 22.21 20.29 11.32 0.02 0.59 0.78 93 D C C 105.63 2.43 9.63 13.26 101.44 63.42 -83.95 8.59 68.23 1.07 30.70 29.01 12.50 27.56 15.98 13.77 0.02 0.47 0.69 94 K C C 134.41 3.16 8.74 13.50 101.97 94.83 -83.04 4.83 67.98 1.36 30.67 31.29 16.08 21.31 12.83 17.00 0.02 0.60 0.86 95 K C C 144.50 2.39 8.83 12.68 103.51 78.93 -84.35 18.61 74.79 1.91 23.30 37.77 15.78 21.93 8.45 14.12 0.01 0.90 1.04 96 H C C 134.12 3.16 7.98 12.81 105.39 82.82 -89.90 45.81 83.68 1.62 14.70 64.86 4.61 15.38 5.32 8.04 0.00 0.91 0.89 97 H C C 123.61 4.73 10.06 16.37 106.70 112.53 -90.64 64.74 99.50 0.19 0.31 98.80 0.38 0.48 0.10 0.10 0.00 0.10 0.05