# 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 97.29 7.56 12.74 21.40 116.35 -153.40 -89.30 139.67 99.87 0.06 0.07 99.79 0.08 0.06 0.04 0.00 0.00 0.02 0.01 1 A C C 64.38 5.46 10.83 17.80 109.38 -108.71 -72.23 146.39 79.77 1.10 19.13 74.31 0.99 4.15 18.44 1.16 0.00 0.48 0.47 2 K C C 140.63 2.96 10.63 15.10 103.27 -116.82 -74.94 -8.86 60.19 1.44 38.37 44.71 7.26 7.02 37.47 2.32 0.00 0.65 0.58 3 K H H 136.89 2.65 12.06 15.84 101.48 64.55 -76.25 -26.71 37.15 0.89 61.96 24.29 6.52 7.19 58.63 2.63 0.01 0.42 0.32 4 G H H 32.66 5.64 12.50 19.71 99.18 54.93 -68.23 -40.28 30.38 0.59 69.03 20.84 4.36 5.96 66.01 2.34 0.00 0.27 0.22 5 M H H 85.79 7.18 13.03 21.37 94.75 52.64 -67.14 -37.74 11.61 0.23 88.16 7.47 1.96 2.94 85.94 1.50 0.00 0.11 0.08 6 I H H 90.74 3.41 15.54 19.73 93.04 52.07 -65.52 -41.52 5.60 0.12 94.28 3.11 0.92 1.90 93.10 0.87 0.00 0.06 0.04 7 N H H 84.53 2.80 17.20 20.14 92.38 49.76 -65.38 -40.35 4.26 0.06 95.67 2.24 0.60 1.58 94.86 0.67 0.00 0.03 0.02 8 R H H 92.68 8.22 16.02 25.29 92.17 50.71 -65.48 -40.96 2.36 0.02 97.62 1.10 0.31 0.92 97.27 0.38 0.00 0.01 0.01 9 E H H 74.73 8.52 16.70 26.24 91.84 51.15 -64.12 -41.03 1.54 0.01 98.46 0.62 0.18 0.66 98.28 0.25 0.00 0.00 0.00 10 L H H 86.04 2.70 20.02 22.19 91.71 50.16 -64.10 -41.37 1.23 0.01 98.76 0.42 0.12 0.58 98.67 0.20 0.00 0.00 0.00 11 K H H 98.54 4.78 20.08 25.25 91.92 49.87 -64.72 -41.22 1.15 0.00 98.85 0.36 0.11 0.57 98.78 0.16 0.00 0.00 0.00 12 R H H 62.57 14.93 16.89 31.77 91.82 50.17 -64.15 -41.65 1.02 0.00 98.97 0.28 0.10 0.54 98.93 0.14 0.00 0.00 0.00 13 E H H 94.12 6.52 20.28 27.40 91.60 50.77 -63.77 -40.89 0.94 0.00 99.06 0.24 0.09 0.50 99.05 0.11 0.00 0.00 0.00 14 K H H 121.73 1.97 23.05 23.36 91.89 49.54 -64.89 -41.08 0.96 0.00 99.04 0.19 0.09 0.57 99.04 0.11 0.00 0.00 0.00 15 T H H 31.09 11.18 19.21 31.46 92.04 49.34 -64.80 -42.15 1.01 0.00 98.99 0.18 0.09 0.62 99.00 0.10 0.00 0.00 0.00 16 V H H 26.78 16.37 17.11 33.74 91.90 49.89 -64.00 -41.73 0.48 0.00 99.52 0.09 0.05 0.29 99.48 0.10 0.00 0.00 0.00 17 A H H 58.61 3.31 22.25 25.11 91.47 50.80 -63.85 -41.27 0.47 0.00 99.53 0.07 0.03 0.31 99.46 0.14 0.00 0.00 0.00 18 K H H 116.51 3.02 22.78 25.27 91.97 49.01 -65.42 -40.81 1.34 0.00 98.66 0.11 0.07 1.05 98.55 0.21 0.00 0.00 0.00 19 Y H H 36.02 16.75 16.99 33.85 92.76 48.20 -66.81 -40.44 1.85 0.00 98.15 0.16 0.11 1.38 98.19 0.16 0.00 0.00 0.00 20 A H H 38.31 10.53 19.00 30.27 91.77 53.78 -62.42 -41.92 0.47 0.00 99.53 0.09 0.03 0.24 99.56 0.07 0.00 0.00 0.00 21 A H H 63.08 2.15 23.51 23.96 91.54 50.09 -64.28 -41.14 0.38 0.00 99.62 0.05 0.02 0.23 99.63 0.07 0.00 0.00 0.00 22 K H H 78.37 10.35 20.93 31.40 91.87 48.99 -65.42 -40.59 0.31 0.00 99.69 0.04 0.01 0.19 99.71 0.05 0.00 0.00 0.00 23 R H H 54.11 17.68 17.73 34.68 91.53 51.75 -62.93 -41.73 0.18 0.00 99.82 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 24 A H H 55.04 3.76 23.45 26.90 91.21 51.07 -63.61 -40.86 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 25 E H H 95.26 4.69 23.59 28.20 91.61 50.13 -64.64 -40.94 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 26 L H H 12.04 20.81 17.01 37.85 91.41 50.19 -63.89 -42.14 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 27 K H H 91.92 10.53 21.95 32.33 91.30 52.18 -62.44 -41.21 0.09 0.00 99.91 0.00 0.00 0.06 99.90 0.02 0.00 0.00 0.00 28 A H H 56.13 2.67 23.27 24.83 91.56 50.97 -63.91 -41.39 0.21 0.00 99.79 0.01 0.01 0.16 99.74 0.08 0.00 0.00 0.00 29 T H H 28.15 12.62 17.93 31.51 92.11 49.76 -65.39 -40.30 0.68 0.00 99.32 0.03 0.03 0.54 99.16 0.23 0.00 0.00 0.00 30 I H H 34.52 17.71 15.00 32.46 91.93 52.22 -66.86 -33.45 4.43 0.00 95.57 0.14 0.18 3.99 95.32 0.37 0.00 0.00 0.00 31 A H H 77.80 3.04 19.22 22.60 92.32 58.42 -79.50 -16.15 23.26 0.03 76.71 0.69 1.71 20.19 76.83 0.52 0.02 0.01 0.02 32 N C C 71.72 6.69 13.09 21.67 107.05 86.34 -94.78 105.18 98.83 0.23 0.94 81.78 15.27 1.63 0.73 0.20 0.00 0.06 0.33 33 V C T 106.79 5.23 11.55 19.19 94.35 -173.09 -69.99 -17.32 99.06 0.15 0.79 4.96 7.56 86.64 0.22 0.46 0.00 0.08 0.07 34 N C T 138.25 0.59 15.46 14.05 94.23 60.56 -88.90 0.22 99.50 0.09 0.41 4.18 8.62 86.75 0.07 0.29 0.00 0.06 0.03 35 A C S 25.72 13.43 6.73 20.32 120.48 107.51 -77.68 151.18 99.61 0.23 0.16 29.68 69.53 0.42 0.06 0.05 0.00 0.05 0.21 36 S C C 62.54 1.90 16.74 17.86 118.41 -102.14 -68.47 158.48 99.87 0.08 0.06 99.29 0.56 0.06 0.03 0.01 0.00 0.02 0.05 37 D H H 107.97 3.48 12.11 17.67 91.28 -105.49 -58.29 -38.34 1.50 0.00 98.50 0.23 0.24 0.78 98.44 0.30 0.00 0.00 0.00 38 E H H 136.35 1.05 16.38 16.12 91.75 52.85 -64.24 -40.61 0.74 0.00 99.26 0.07 0.05 0.50 99.04 0.34 0.00 0.00 0.00 39 E H H 81.01 6.28 15.63 23.31 91.92 48.60 -65.81 -39.96 0.39 0.00 99.61 0.06 0.02 0.22 99.33 0.37 0.00 0.00 0.00 40 R H H 54.97 15.55 13.03 28.60 91.46 52.14 -63.18 -42.02 0.16 0.00 99.84 0.03 0.01 0.07 99.83 0.06 0.00 0.00 0.00 41 F H H 107.79 3.32 20.57 23.64 91.60 50.13 -63.97 -41.66 0.13 0.00 99.87 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 42 E H H 103.27 2.35 22.55 23.59 91.61 49.68 -64.06 -41.39 0.13 0.00 99.87 0.01 0.00 0.09 99.89 0.02 0.00 0.00 0.00 43 A H H 7.22 17.33 15.57 34.10 91.51 50.37 -63.33 -41.99 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 44 M H H 60.62 13.97 18.70 32.45 91.63 52.47 -62.42 -41.78 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 45 L H H 91.50 2.14 22.88 23.27 91.52 50.09 -63.74 -42.16 0.10 0.00 99.90 0.01 0.00 0.06 99.88 0.05 0.00 0.00 0.00 46 K H H 92.35 6.59 20.94 28.08 91.70 49.40 -64.98 -40.89 0.17 0.00 99.83 0.01 0.00 0.13 99.66 0.20 0.00 0.00 0.00 47 L H H 8.96 23.25 13.30 36.38 91.25 51.02 -64.48 -39.60 0.55 0.00 99.45 0.02 0.01 0.48 98.38 1.11 0.00 0.00 0.00 48 Q H H 108.00 6.59 19.28 26.97 90.57 56.26 -66.17 -26.05 11.05 0.00 88.94 0.12 0.19 11.48 86.85 1.35 0.00 0.00 0.00 49 A C T 80.38 2.03 20.23 21.61 93.15 57.45 -83.51 -9.73 55.43 0.02 44.55 0.73 1.44 52.81 43.37 1.63 0.00 0.00 0.02 50 L C S 26.00 20.46 8.54 27.83 117.82 108.05 -72.10 144.26 99.79 0.10 0.11 19.83 79.73 0.25 0.08 0.01 0.00 0.02 0.07 51 P C C 66.10 5.23 17.58 23.86 113.38 -103.62 -63.74 148.01 98.60 0.93 0.47 97.48 0.77 0.41 0.16 0.16 0.00 0.25 0.76 52 R C T 156.55 6.44 13.75 21.94 93.43 -118.04 -63.42 -28.47 95.42 0.37 4.21 5.11 15.96 74.09 0.52 3.82 0.00 0.18 0.32 53 N C T 113.99 2.80 18.00 21.22 97.47 53.52 -91.95 18.52 95.74 0.39 3.87 10.73 11.28 73.34 0.58 3.61 0.00 0.21 0.25 54 A C C 25.12 17.00 10.87 27.71 115.15 139.07 -75.28 140.89 93.39 1.15 5.45 73.08 16.89 2.91 1.86 3.62 0.00 0.35 1.29 55 S C C 38.64 8.31 18.06 27.56 121.24 -129.25 -88.62 153.98 95.28 0.51 4.22 83.44 10.60 1.08 3.67 0.48 0.00 0.10 0.64 56 P H H 68.72 9.51 16.82 27.07 92.21 -115.09 -59.94 -31.16 34.95 0.14 64.91 3.73 4.02 25.77 51.44 14.80 0.06 0.06 0.11 57 V H H 58.48 10.55 18.11 29.17 92.13 59.53 -66.89 -32.78 29.45 0.15 70.40 2.75 2.96 22.35 55.67 16.01 0.08 0.07 0.11 58 R H H 73.93 14.51 17.27 31.54 92.19 58.12 -65.23 -36.62 17.85 0.37 81.78 5.25 3.11 8.89 61.77 20.59 0.05 0.20 0.16 59 L H H 52.97 15.25 17.80 32.78 92.31 57.22 -67.13 -31.73 19.49 0.59 79.92 5.89 3.16 9.85 59.22 21.23 0.08 0.32 0.25 60 R H H 116.97 9.19 21.60 30.71 93.82 58.72 -72.52 -22.77 39.42 0.83 59.75 6.23 6.13 25.74 43.50 17.28 0.19 0.42 0.50 61 N C T 57.52 12.95 19.84 32.66 99.78 47.62 -98.34 3.94 62.80 1.35 35.85 13.62 9.49 39.53 23.24 12.40 0.14 0.69 0.90 62 R E B 78.79 12.59 20.90 33.64 122.40 95.85 -94.77 145.06 38.99 58.39 2.62 24.64 5.10 0.54 2.12 0.25 0.01 4.74 62.59 63 C C C 9.30 21.07 13.66 35.29 111.10 -110.06 -70.12 136.43 95.72 3.36 0.91 93.12 1.65 0.78 0.70 0.19 0.00 0.89 2.67 64 G C T 42.48 6.42 20.68 28.01 93.27 -140.18 -69.51 -27.14 99.08 0.11 0.81 0.78 6.30 92.25 0.21 0.34 0.00 0.05 0.07 65 L C T 77.90 9.93 18.26 28.45 99.42 41.68 -82.48 -39.89 99.36 0.06 0.58 0.09 3.43 96.14 0.04 0.25 0.00 0.02 0.03 66 T C T 54.65 8.82 16.58 26.54 102.72 20.20 -106.42 -14.63 99.37 0.07 0.55 0.28 4.18 95.15 0.10 0.21 0.00 0.03 0.04 67 G C C 43.01 6.68 16.87 24.65 94.95 -120.41 80.20 8.41 99.45 0.45 0.10 69.42 26.20 3.72 0.02 0.08 0.00 0.15 0.40 68 R C C 98.79 8.08 16.93 26.38 118.45 136.21 -83.72 140.32 97.63 2.32 0.05 70.14 27.36 0.25 0.01 0.03 0.00 0.62 1.59 69 P C C 71.19 8.33 19.88 28.52 111.46 -103.31 -65.80 147.08 61.25 38.07 0.68 39.69 15.69 0.97 0.42 0.28 0.01 7.35 35.59 70 H C C 73.23 14.01 18.76 31.97 119.71 -7.90 -120.27 144.32 96.03 3.47 0.51 76.35 16.24 3.16 0.10 0.51 0.00 1.70 1.95 71 G C S 16.38 14.67 18.78 33.32 127.67 158.47 -126.81 -40.69 92.83 6.54 0.63 44.45 46.54 2.44 0.18 0.45 0.00 3.98 1.96 72 Y C S 83.15 11.38 20.22 31.85 117.96 -73.06 -105.82 128.67 54.81 44.43 0.75 21.58 33.11 1.50 0.45 0.40 0.02 26.60 16.34 73 F E E 43.00 17.62 13.56 30.80 106.21 -156.19 -90.61 83.12 20.23 76.37 3.39 14.57 3.69 1.03 2.52 0.93 0.10 39.46 37.69 74 R H G 159.35 3.53 16.84 21.92 94.25 68.76 -65.93 -35.83 37.12 0.30 62.58 0.98 1.81 32.73 5.58 58.62 0.01 0.21 0.06 75 K H G 136.71 2.97 17.43 21.15 94.53 46.52 -71.60 -37.32 35.27 0.13 64.60 0.24 1.08 33.73 7.09 57.72 0.01 0.08 0.05 76 F H G 60.25 13.45 14.73 28.64 99.28 26.40 -103.54 -10.36 31.90 0.08 68.03 0.20 1.03 31.27 9.91 57.49 0.01 0.04 0.04 77 G C T 32.01 7.12 21.57 29.86 94.81 -119.88 74.51 17.79 98.71 0.76 0.53 7.03 7.43 84.39 0.13 0.34 0.00 0.49 0.20 78 L E E 14.73 19.23 16.48 36.20 127.99 123.34 -113.21 150.59 29.10 70.62 0.28 20.03 8.89 0.30 0.24 0.10 0.00 39.52 30.92 79 S C C 17.31 11.75 22.61 35.48 120.34 -115.67 -76.30 158.71 58.10 41.74 0.17 57.76 1.27 0.09 0.14 0.04 0.00 29.35 11.35 80 R H H 65.13 17.88 18.27 35.60 91.58 -110.77 -58.50 -38.91 8.84 0.01 91.15 0.50 1.16 6.92 90.91 0.47 0.02 0.00 0.01 81 N H H 83.42 5.19 24.33 29.65 91.79 52.99 -64.55 -41.44 7.34 0.01 92.66 0.18 0.42 6.89 91.89 0.59 0.02 0.00 0.00 82 K H H 76.83 9.56 23.48 33.14 92.09 47.15 -66.22 -40.67 2.21 0.01 97.78 0.21 0.18 1.82 97.02 0.74 0.02 0.00 0.01 83 L H H 2.83 26.06 16.01 42.59 91.24 50.73 -63.35 -43.29 0.57 0.00 99.42 0.10 0.04 0.32 99.37 0.17 0.00 0.00 0.00 84 R H H 88.50 12.34 21.77 33.69 91.52 51.35 -63.10 -41.85 0.42 0.00 99.57 0.08 0.02 0.20 99.63 0.06 0.00 0.00 0.00 85 D H H 75.99 2.98 23.88 25.90 91.95 49.59 -64.75 -41.92 0.33 0.00 99.67 0.04 0.02 0.19 99.69 0.06 0.00 0.00 0.00 86 T H H 19.78 11.98 17.84 31.48 91.71 49.06 -64.29 -42.24 0.39 0.00 99.60 0.05 0.03 0.23 99.54 0.14 0.00 0.00 0.00 87 V H H 23.08 17.98 14.16 32.03 92.17 50.82 -63.74 -42.39 0.60 0.00 99.39 0.06 0.03 0.41 98.98 0.51 0.00 0.00 0.00 88 M H H 115.99 4.93 17.58 23.60 91.07 51.54 -65.89 -29.77 3.08 0.00 96.92 0.08 0.10 2.96 96.32 0.53 0.00 0.00 0.00 89 Q C T 118.96 2.28 17.02 19.21 92.71 52.13 -86.28 -2.80 61.07 0.02 38.91 0.19 0.98 60.53 37.52 0.75 0.00 0.00 0.02 90 G C T 45.08 7.59 13.88 22.76 94.48 -111.90 78.82 11.80 99.25 0.02 0.73 1.07 3.60 94.71 0.52 0.08 0.00 0.01 0.01 91 D C S 83.51 5.58 17.94 24.76 94.95 126.27 -79.63 -15.54 99.60 0.30 0.10 31.49 66.65 1.48 0.03 0.05 0.00 0.10 0.21 92 V C S 15.95 21.09 11.52 32.08 115.24 41.66 -124.56 105.19 99.20 0.70 0.10 37.02 61.59 0.59 0.03 0.05 0.00 0.20 0.52 93 P C T 78.14 5.80 21.52 27.85 111.65 -132.15 -66.67 138.19 99.10 0.49 0.40 9.91 13.07 76.02 0.04 0.43 0.00 0.31 0.20 94 G C T 37.36 7.75 20.09 28.62 95.57 21.72 85.25 -2.81 97.04 2.46 0.50 9.09 11.68 76.16 0.05 0.56 0.00 2.13 0.33 95 V C C 22.34 22.10 11.73 33.13 115.46 124.47 -84.62 130.76 81.78 17.93 0.29 75.03 6.03 0.53 0.09 0.22 0.00 13.93 4.17 96 V C C 78.96 5.72 21.20 27.70 127.23 -173.03 -125.11 144.63 56.39 43.32 0.29 53.38 2.13 0.35 0.13 0.16 0.00 37.86 5.98 97 K C C 108.08 10.52 15.18 26.32 113.38 -109.00 -72.20 139.00 55.20 43.08 1.71 48.64 4.20 1.51 0.63 1.13 0.00 40.14 3.76 98 A C C 49.90 11.54 10.51 22.48 109.58 -135.25 -84.37 123.84 87.57 7.68 4.75 57.24 17.74 12.01 0.70 4.74 0.00 6.72 0.86 99 S C C 87.61 2.30 12.52 15.87 105.33 -97.26 -93.46 15.29 92.62 3.98 3.40 78.85 3.11 10.95 0.62 2.51 0.00 3.19 0.78 100 W C C 152.03 6.91 11.94 20.00 103.40 71.28 -85.55 11.00 99.85 0.13 0.02 99.76 0.09 0.05 0.01 0.00 0.00 0.07 0.01