# 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 R C C 150.73 4.31 12.84 18.63 114.20 -155.42 -94.07 126.09 99.73 0.08 0.19 99.60 0.11 0.10 0.13 0.01 0.00 0.03 0.02 1 H C C 120.57 5.41 9.32 16.25 112.28 -156.08 -93.28 124.63 67.42 1.46 31.12 61.52 1.25 5.05 28.58 2.29 0.00 0.71 0.61 2 R H H 153.75 3.57 9.86 15.01 105.09 -156.31 -83.52 31.99 48.23 1.84 49.94 35.49 6.30 7.18 44.84 4.57 0.01 1.06 0.56 3 M H H 115.28 3.85 10.73 16.10 106.33 71.07 -83.70 56.80 33.76 3.03 63.22 25.07 5.04 5.65 54.70 6.71 0.02 2.16 0.65 4 V H H 78.50 5.97 11.18 18.73 108.35 57.11 -88.90 102.20 27.14 4.04 68.82 20.48 4.07 4.78 59.65 7.06 0.02 3.23 0.71 5 L H H 78.64 8.37 11.60 21.14 105.97 -125.96 -77.30 103.15 26.22 3.15 70.63 18.78 4.19 5.40 60.92 7.60 0.03 2.44 0.64 6 R H H 127.87 7.12 13.17 21.30 99.34 55.42 -74.64 -24.90 29.26 2.09 68.64 17.83 5.09 8.24 58.46 8.34 0.04 1.44 0.56 7 D H H 93.62 4.96 14.24 20.32 99.19 64.61 -78.34 -18.51 37.69 1.10 61.21 15.01 6.85 16.68 50.17 10.12 0.08 0.65 0.44 8 N C H 92.23 6.06 15.15 22.10 101.02 52.66 -88.79 13.18 51.33 1.20 47.48 20.44 8.37 23.12 36.11 10.68 0.05 0.64 0.58 9 I C C 46.60 16.95 10.35 26.25 101.37 108.79 -87.77 9.33 63.95 3.55 32.50 39.25 8.54 16.11 21.30 11.08 0.02 1.94 1.75 10 Q C T 125.26 3.86 15.61 21.15 106.91 121.35 -75.54 111.27 81.89 2.33 15.78 18.17 8.47 55.07 10.36 5.48 0.02 1.38 1.03 11 G C T 52.30 3.62 17.90 22.08 99.51 21.56 83.18 -0.95 91.53 1.39 7.08 16.07 13.06 62.92 2.70 3.88 0.00 0.91 0.46 12 I C C 30.58 19.78 9.33 28.00 115.70 115.36 -91.13 130.35 94.96 4.03 1.01 79.95 13.92 0.79 0.70 0.33 0.00 1.49 2.82 13 T C C 70.26 3.44 21.19 24.10 122.70 -142.76 -88.26 160.42 96.86 2.24 0.90 95.28 1.50 0.26 0.77 0.10 0.00 0.67 1.43 14 K H H 109.49 10.53 14.01 25.17 92.28 -105.73 -58.33 -40.10 2.51 0.01 97.48 0.64 0.43 1.17 97.45 0.29 0.00 0.00 0.00 15 P H H 79.55 2.22 19.42 20.85 91.37 52.32 -63.29 -39.53 1.43 0.01 98.56 0.27 0.13 0.86 98.36 0.38 0.00 0.00 0.00 16 A H H 29.36 7.96 17.22 27.10 91.75 50.72 -64.68 -40.88 0.55 0.01 99.44 0.14 0.05 0.28 99.18 0.34 0.00 0.00 0.00 17 I H H 15.53 19.45 14.18 33.73 91.96 50.19 -64.40 -42.24 0.41 0.01 99.59 0.11 0.05 0.19 99.51 0.14 0.00 0.00 0.00 18 R H H 113.55 6.96 19.68 27.35 91.52 50.83 -63.26 -41.30 0.71 0.01 99.27 0.20 0.08 0.35 99.29 0.08 0.00 0.01 0.00 19 R H H 127.92 2.18 21.50 22.43 91.82 49.78 -64.53 -42.16 0.94 0.02 99.04 0.23 0.11 0.49 99.06 0.10 0.00 0.01 0.00 20 L H H 37.98 10.63 17.08 29.22 92.14 49.67 -64.80 -41.88 1.25 0.04 98.70 0.30 0.17 0.69 98.58 0.22 0.00 0.02 0.01 21 A H H 18.96 14.23 13.12 28.33 92.05 51.40 -63.60 -41.09 2.75 0.05 97.19 0.63 0.26 1.71 96.79 0.57 0.01 0.03 0.01 22 R H H 162.28 1.96 16.88 19.14 92.19 50.10 -65.69 -38.60 6.52 0.08 93.40 0.90 0.54 4.84 92.49 1.13 0.03 0.04 0.03 23 R H H 165.75 1.69 15.10 16.90 92.94 51.92 -68.91 -29.88 16.48 0.11 83.41 1.05 1.31 14.22 81.81 1.43 0.07 0.04 0.06 24 G C T 39.74 6.97 11.83 20.14 96.69 48.81 -87.24 -3.73 67.64 0.11 32.24 1.47 3.61 61.00 32.17 1.60 0.02 0.04 0.09 25 G C T 57.69 1.49 16.34 17.28 97.56 -108.99 81.04 11.02 99.03 0.14 0.83 13.26 6.60 79.34 0.35 0.32 0.00 0.09 0.04 26 V C C 46.90 13.78 7.45 21.09 113.74 148.01 -83.83 126.33 95.07 3.88 1.05 92.26 2.28 0.81 0.37 0.49 0.00 2.56 1.22 27 K C C 164.73 1.14 16.45 16.98 100.42 -173.23 -91.12 -21.14 94.25 4.73 1.02 64.18 26.38 3.89 0.21 0.88 0.00 3.77 0.69 28 R C C 156.17 2.59 16.68 20.05 125.25 24.94 -129.86 139.03 72.81 25.69 1.50 56.62 12.28 3.59 0.40 1.27 0.00 22.99 2.86 29 I C C 51.51 17.46 8.74 24.89 119.86 -167.57 -116.24 130.33 56.00 42.84 1.16 51.56 2.72 0.51 0.84 0.49 0.00 30.78 13.09 30 S C C 62.64 3.12 16.37 19.95 124.03 -161.03 -98.80 164.45 86.24 12.18 1.58 82.52 2.83 0.93 1.09 0.45 0.00 10.88 1.30 31 G H H 50.55 2.79 15.15 18.56 101.14 -35.02 4.44 -51.34 32.36 0.43 67.21 4.42 8.72 20.35 61.07 4.85 0.17 0.18 0.23 32 L H H 105.63 2.53 15.11 17.84 93.65 35.61 -67.70 -35.47 19.40 0.22 80.38 3.04 2.98 13.82 74.84 5.00 0.10 0.11 0.11 33 I H H 57.59 8.73 14.09 24.32 92.78 52.79 -65.00 -41.38 9.35 0.23 90.41 3.30 1.54 5.15 85.21 4.55 0.04 0.14 0.08 34 Y H H 71.78 12.07 14.05 26.81 91.96 52.15 -63.47 -41.92 2.96 0.06 96.98 1.24 0.44 1.39 95.41 1.45 0.01 0.04 0.01 35 E H H 118.21 2.46 18.97 21.32 92.05 49.87 -64.72 -40.94 2.14 0.02 97.84 0.56 0.24 1.26 96.82 1.10 0.00 0.01 0.01 36 E H H 105.91 3.21 19.37 22.54 92.51 47.93 -66.21 -41.20 3.82 0.02 96.17 0.43 0.31 2.87 95.32 1.05 0.01 0.01 0.01 37 T H H 26.65 14.53 15.99 31.03 93.02 47.96 -67.53 -40.49 7.27 0.02 92.71 0.77 0.58 5.56 92.32 0.74 0.01 0.01 0.01 38 R H H 91.64 11.58 17.99 29.63 91.82 53.37 -62.63 -41.45 3.08 0.01 96.91 0.56 0.26 1.97 96.84 0.36 0.00 0.00 0.00 39 G H H 35.00 2.94 20.85 23.41 91.66 51.21 -63.62 -41.52 2.76 0.00 97.24 0.32 0.18 2.03 97.04 0.43 0.00 0.00 0.00 40 V H H 62.62 6.00 20.24 27.02 91.82 49.70 -64.72 -41.90 0.53 0.00 99.47 0.09 0.03 0.31 99.39 0.17 0.00 0.00 0.00 41 L H H 32.15 15.34 16.71 32.50 91.83 50.66 -64.15 -42.07 0.12 0.00 99.88 0.02 0.00 0.06 99.86 0.05 0.00 0.00 0.00 42 K H H 99.74 7.29 19.71 27.54 91.80 51.75 -63.58 -41.24 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 43 V H H 79.30 2.64 21.24 23.01 91.65 49.91 -64.00 -42.59 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 44 F H H 76.32 8.79 19.51 29.04 91.89 48.92 -64.67 -42.29 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 45 L H H 37.10 14.72 17.10 32.22 92.02 50.08 -64.83 -41.43 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 46 E H H 95.55 5.05 20.51 25.98 91.70 51.06 -64.02 -41.27 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 47 N H H 77.85 3.69 21.40 24.88 92.02 49.34 -65.90 -40.82 0.32 0.00 99.68 0.02 0.01 0.23 99.72 0.02 0.00 0.00 0.00 48 V H H 34.23 12.71 18.47 31.94 92.29 49.39 -64.69 -42.90 0.47 0.00 99.53 0.05 0.02 0.30 99.59 0.04 0.00 0.00 0.00 49 I H H 52.26 12.05 18.85 31.36 91.88 50.35 -63.77 -42.44 0.38 0.00 99.62 0.07 0.03 0.21 99.60 0.09 0.00 0.00 0.00 50 R H H 135.25 2.50 22.92 24.65 91.61 49.96 -63.78 -41.82 0.44 0.00 99.55 0.07 0.03 0.28 99.51 0.11 0.00 0.00 0.00 51 D H H 64.44 5.66 21.40 27.43 91.98 48.67 -65.21 -40.91 0.90 0.00 99.09 0.12 0.06 0.62 99.04 0.16 0.00 0.00 0.00 52 A H H 16.29 15.27 16.48 32.67 91.94 51.15 -63.95 -41.94 1.41 0.01 98.58 0.22 0.11 0.92 98.47 0.26 0.00 0.00 0.00 53 V H H 61.12 7.04 19.87 27.77 91.88 50.02 -64.35 -41.43 2.60 0.04 97.35 0.49 0.29 1.64 97.15 0.39 0.01 0.02 0.01 54 T H H 72.55 2.26 21.67 22.53 91.86 49.73 -64.54 -42.14 4.84 0.12 95.05 1.20 0.63 2.89 94.52 0.65 0.02 0.06 0.03 55 Y H H 75.13 8.40 17.30 26.92 92.29 48.43 -65.96 -40.68 6.32 0.23 93.45 1.82 0.98 3.70 91.80 1.48 0.04 0.13 0.06 56 T H H 28.50 12.43 12.94 26.61 92.19 51.85 -66.70 -38.55 9.07 0.23 90.70 3.05 1.23 4.83 88.44 2.24 0.02 0.13 0.06 57 E H H 128.24 2.08 16.84 18.95 92.47 52.69 -65.91 -37.64 15.49 0.15 84.36 2.47 1.62 11.07 82.43 2.24 0.04 0.08 0.05 58 H H H 138.55 1.65 14.82 16.21 94.29 47.80 -75.68 -22.67 26.64 0.20 73.16 3.33 3.47 19.77 71.34 1.84 0.06 0.08 0.11 59 A C H 44.32 9.98 8.65 19.33 102.14 66.05 -84.07 1.31 67.73 0.67 31.60 19.54 16.96 29.82 30.95 2.05 0.02 0.21 0.44 60 K C T 178.85 0.59 14.66 13.71 96.16 -129.79 4.59 15.16 92.58 0.38 7.04 25.33 18.47 48.87 4.97 1.97 0.00 0.16 0.23 61 R C C 116.51 5.83 10.11 17.86 124.22 102.05 -110.29 146.80 92.89 1.06 6.06 55.49 24.14 13.36 3.16 2.71 0.00 0.45 0.68 62 K C S 159.95 2.32 13.98 17.33 97.15 -147.49 -82.46 -16.87 96.02 1.41 2.57 29.99 59.14 7.24 1.11 1.25 0.00 0.87 0.39 63 T C C 84.82 3.39 17.70 21.94 128.92 41.15 -131.82 145.48 71.75 25.11 3.14 43.82 24.17 4.84 1.54 1.82 0.01 19.85 3.95 64 V C C 30.02 18.78 10.31 28.52 118.87 -154.85 -110.46 129.72 65.86 33.01 1.13 60.16 5.33 0.32 1.08 0.29 0.00 24.95 7.87 65 T C C 62.27 4.32 21.84 25.89 124.28 -146.17 -91.43 163.16 80.45 18.78 0.77 80.82 1.19 0.15 0.76 0.10 0.00 14.80 2.19 66 A H H 51.54 12.13 14.14 26.83 91.09 -104.88 -58.27 -39.14 1.95 0.01 98.04 0.33 0.27 1.17 97.85 0.38 0.00 0.00 0.00 67 M H H 110.79 2.99 20.44 23.24 91.44 54.41 -63.94 -40.16 0.61 0.00 99.39 0.07 0.04 0.41 99.19 0.27 0.00 0.00 0.00 68 D H H 43.61 10.39 18.74 30.10 91.90 50.38 -65.37 -40.38 0.21 0.00 99.79 0.03 0.01 0.13 99.56 0.26 0.00 0.00 0.00 69 V H H 14.05 19.74 16.47 36.21 91.86 49.74 -64.12 -43.41 0.10 0.00 99.90 0.01 0.00 0.06 99.84 0.08 0.00 0.00 0.00 70 V H H 55.14 7.81 20.59 29.29 91.31 49.91 -63.36 -42.77 0.13 0.00 99.87 0.01 0.00 0.09 99.84 0.05 0.00 0.00 0.00 71 Y H H 105.71 3.24 22.56 25.23 91.49 48.98 -63.99 -42.13 0.26 0.00 99.74 0.02 0.01 0.18 99.70 0.08 0.00 0.00 0.00 72 A H H 13.37 12.39 16.57 30.94 91.37 50.96 -63.05 -42.73 0.60 0.00 99.40 0.06 0.03 0.41 99.30 0.19 0.00 0.00 0.00 73 L H H 32.28 13.77 15.04 29.75 92.05 49.87 -64.29 -41.13 1.67 0.01 98.32 0.25 0.14 1.12 97.94 0.54 0.00 0.00 0.00 74 K H H 134.55 2.64 17.03 20.31 91.96 50.27 -65.26 -39.35 4.16 0.02 95.82 0.52 0.30 3.03 95.02 1.11 0.01 0.01 0.01 75 R H H 153.38 2.54 15.33 18.54 92.91 50.37 -69.12 -32.82 12.32 0.05 87.63 0.93 0.90 10.17 86.69 1.24 0.02 0.02 0.02 76 Q C H 95.11 6.94 12.47 20.63 96.88 48.12 -87.49 -6.25 50.17 0.22 49.61 2.87 4.46 41.11 49.79 1.51 0.04 0.07 0.14 77 G C T 55.50 2.67 14.39 17.89 99.04 -113.23 77.59 12.69 95.30 0.38 4.32 22.38 10.24 63.09 2.89 1.07 0.00 0.19 0.15 78 R C C 119.29 6.94 11.76 20.36 120.10 131.35 -100.19 141.68 92.76 2.91 4.33 78.93 10.47 3.22 2.69 1.61 0.00 1.44 1.65 79 T C C 80.05 5.73 13.48 20.75 117.91 -140.38 -98.30 140.08 90.43 5.29 4.28 82.80 4.78 2.77 2.23 1.79 0.00 2.96 2.69 80 L C C 90.27 9.40 11.04 21.23 105.14 -135.03 -84.03 24.01 82.61 6.64 10.75 38.54 23.98 21.08 3.25 6.71 0.04 3.19 3.21 81 Y C T 151.47 4.66 12.04 18.00 108.74 39.29 -90.67 96.61 85.13 4.63 10.24 18.46 25.30 41.82 2.79 6.91 0.03 2.48 2.20 82 G C C 55.94 2.78 11.94 15.94 103.65 -21.12 80.41 3.61 89.68 3.14 7.18 34.21 24.07 31.75 1.41 5.59 0.00 1.58 1.39 83 F C C 132.39 5.19 8.72 15.48 106.89 104.89 -92.23 43.77 90.61 4.94 4.46 59.19 15.09 16.26 1.29 2.95 0.00 2.38 2.84 84 G C C 55.52 2.64 11.17 15.34 108.84 -74.27 89.51 11.99 96.53 2.03 1.44 80.03 4.51 12.18 0.35 0.87 0.00 1.25 0.81 85 G C C 50.93 3.88 12.77 18.28 112.44 -47.98 89.00 15.06 99.86 0.11 0.02 99.35 0.41 0.15 0.01 0.00 0.00 0.06 0.02