# 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 Q C C 113.50 5.69 15.32 22.47 114.66 -156.43 -88.32 133.00 99.78 0.09 0.13 99.60 0.15 0.10 0.09 0.01 0.00 0.04 0.02 1 S C C 55.00 7.88 12.38 21.57 118.97 -134.33 -88.29 150.97 72.61 1.96 25.43 67.00 1.56 4.76 22.02 2.75 0.00 0.95 0.97 2 R H H 129.11 6.83 14.08 22.10 95.89 -129.61 -70.49 -27.68 43.53 2.69 53.77 25.13 9.27 11.74 43.12 8.15 0.08 1.53 0.99 3 S H H 36.47 12.78 11.73 24.80 94.91 59.67 -69.93 -33.71 38.77 4.39 56.84 22.61 7.81 10.91 44.51 9.86 0.11 2.90 1.29 4 A H H 63.07 6.26 13.71 21.33 94.33 61.69 -67.26 -32.74 35.22 4.18 60.60 20.60 7.11 9.79 46.92 11.49 0.09 2.84 1.17 5 K H H 139.73 3.01 15.73 19.68 93.87 57.23 -71.76 -22.38 39.85 4.58 55.57 16.74 8.99 16.66 42.31 10.44 0.34 2.93 1.59 6 A C T 38.99 12.57 13.16 26.20 96.12 54.37 -84.81 -3.58 65.38 1.56 33.06 9.61 10.82 43.85 24.35 9.45 0.14 0.84 0.93 7 G C T 48.76 3.78 19.99 24.11 97.37 -109.23 81.69 9.07 93.55 1.29 5.16 19.05 15.64 59.36 2.25 2.45 0.00 0.81 0.44 8 L C C 26.98 19.80 11.27 30.52 116.21 131.79 -93.31 129.41 86.18 11.17 2.65 72.20 9.59 3.90 1.25 1.43 0.00 7.16 4.47 9 T C C 85.30 5.59 21.66 27.93 114.56 -165.74 -107.52 119.45 84.88 13.38 1.74 63.68 18.70 2.58 1.08 0.80 0.00 8.77 4.39 10 F C C 35.78 19.76 14.26 33.42 119.58 102.19 -110.22 131.15 90.53 8.67 0.80 58.80 31.94 0.86 0.70 0.22 0.00 5.72 1.75 11 P C C 55.82 7.44 22.87 30.79 110.06 -112.33 -67.62 136.25 91.74 6.22 2.04 89.20 2.06 0.89 1.75 0.34 0.00 3.82 1.93 12 V H H 39.89 19.47 14.95 33.38 93.84 -135.19 -62.38 -36.25 13.00 0.22 86.78 5.67 2.42 5.66 84.37 1.66 0.02 0.10 0.10 13 G H H 34.16 5.24 20.95 26.82 92.29 55.40 -61.52 -41.78 6.20 0.10 93.70 1.57 0.92 3.85 92.02 1.53 0.02 0.05 0.03 14 R H H 102.34 6.96 21.90 29.08 92.10 50.14 -66.60 -39.66 2.50 0.09 97.41 0.97 0.39 1.27 95.98 1.30 0.01 0.07 0.02 15 V H H 5.15 23.55 16.12 39.87 91.81 51.10 -63.78 -43.67 1.19 0.05 98.76 0.45 0.17 0.59 98.21 0.53 0.00 0.03 0.01 16 H H H 59.89 13.35 19.99 33.30 91.53 51.50 -62.67 -41.99 1.09 0.04 98.87 0.36 0.13 0.58 98.51 0.39 0.00 0.03 0.00 17 R H H 123.53 2.39 23.25 24.36 91.55 50.53 -63.73 -42.30 1.26 0.04 98.70 0.28 0.15 0.79 98.33 0.41 0.01 0.03 0.01 18 L H H 28.18 11.88 17.68 31.11 91.99 49.75 -64.60 -41.69 1.74 0.06 98.20 0.42 0.23 1.09 97.63 0.57 0.01 0.04 0.01 19 L H H 19.52 20.07 13.52 33.21 92.38 50.54 -65.48 -39.91 3.22 0.09 96.70 0.71 0.34 2.19 95.45 1.21 0.02 0.05 0.02 20 R H H 147.69 4.36 17.38 22.97 91.85 52.07 -66.59 -33.23 10.23 0.09 89.68 0.77 0.73 8.84 88.36 1.17 0.05 0.05 0.04 21 R C T 160.83 1.74 17.06 18.27 94.94 47.45 -86.47 -7.41 60.11 0.13 39.76 1.13 2.86 54.63 39.61 1.59 0.03 0.04 0.10 22 G C T 38.90 8.46 14.25 23.61 102.13 -105.56 79.82 14.07 94.77 0.19 5.04 5.81 9.12 79.87 3.96 1.04 0.00 0.09 0.12 23 N C C 71.55 6.90 16.71 24.83 103.24 136.75 -92.61 60.07 83.37 0.96 15.67 60.02 13.12 10.17 9.97 5.58 0.00 0.39 0.75 24 Y H H 43.58 17.35 14.09 31.21 95.04 140.44 -71.94 -25.09 36.52 1.31 62.17 15.99 6.73 13.40 34.58 27.94 0.08 0.69 0.58 25 A H H 36.13 14.29 14.11 28.65 91.61 69.01 -64.36 -27.94 20.00 0.72 79.27 4.65 2.99 10.77 43.12 37.71 0.09 0.44 0.23 26 Q H H 134.14 1.99 19.37 21.22 93.14 56.51 -75.45 -19.60 20.71 0.74 78.56 3.98 3.14 11.83 43.87 36.37 0.12 0.43 0.25 27 R H H 125.44 7.45 17.12 25.17 99.23 56.98 -86.73 -21.31 32.53 1.66 65.81 6.96 6.98 18.13 42.50 23.29 0.49 0.85 0.81 28 I C S 47.94 17.03 11.62 27.68 111.43 47.93 -102.98 66.95 60.75 9.00 30.25 22.49 27.92 11.69 24.17 3.88 0.45 2.44 6.95 29 G C C 36.41 4.91 17.61 23.33 124.45 -119.18 84.19 -170.67 76.50 2.22 21.28 45.26 13.97 16.66 5.84 15.87 0.00 1.01 1.38 30 S C T 93.04 2.15 15.83 18.79 95.76 -46.70 -67.00 -17.39 76.31 0.42 23.27 3.00 9.48 63.85 4.33 18.75 0.01 0.21 0.38 31 G C T 34.73 7.87 17.35 26.13 94.27 51.10 -75.15 -9.71 73.25 0.29 26.46 7.15 7.21 58.45 8.48 18.31 0.01 0.14 0.25 32 A H H 12.36 18.32 14.78 33.71 92.94 94.28 -61.70 -41.50 10.40 0.06 89.55 6.75 2.16 2.11 87.63 1.30 0.00 0.02 0.03 33 P H H 40.77 15.27 18.92 33.85 91.85 53.13 -63.51 -39.67 3.22 0.03 96.74 1.20 0.37 1.61 95.58 1.22 0.00 0.02 0.01 34 V H H 81.37 4.37 24.17 28.44 91.84 50.22 -65.25 -41.46 0.83 0.01 99.15 0.23 0.08 0.44 98.38 0.86 0.00 0.01 0.00 35 Y H H 75.49 11.90 22.60 34.38 91.90 49.03 -65.16 -42.19 0.42 0.01 99.58 0.11 0.04 0.21 99.36 0.27 0.00 0.00 0.00 36 L H H 11.41 23.02 19.75 42.22 91.71 49.86 -64.26 -42.58 0.34 0.00 99.66 0.08 0.03 0.18 99.64 0.07 0.00 0.00 0.00 37 T H H 41.66 12.93 22.80 35.60 91.46 50.96 -63.02 -41.81 0.16 0.00 99.84 0.03 0.01 0.08 99.86 0.03 0.00 0.00 0.00 38 A H H 43.40 5.32 24.93 30.61 91.38 50.76 -63.74 -42.12 0.14 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 39 V H H 18.72 17.39 22.05 39.33 91.49 49.68 -64.48 -43.02 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 40 L H H 15.21 21.90 20.37 41.58 91.44 50.87 -63.55 -41.86 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 41 E H H 96.23 7.72 24.12 32.23 91.35 51.39 -63.60 -41.18 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 42 Y H H 99.46 7.30 24.69 32.11 91.80 49.24 -64.94 -41.86 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 43 L H H 16.47 19.61 21.22 40.44 91.61 48.94 -65.31 -42.18 0.18 0.00 99.82 0.01 0.00 0.12 99.84 0.02 0.00 0.00 0.00 44 A H H 17.72 17.93 20.75 38.25 91.47 52.19 -62.85 -41.99 0.26 0.00 99.74 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 45 A H H 46.56 5.54 24.18 30.03 91.49 51.53 -63.88 -41.32 0.29 0.00 99.71 0.02 0.01 0.20 99.69 0.08 0.00 0.00 0.00 46 E H H 71.15 9.14 24.00 33.35 91.69 49.80 -65.18 -41.20 0.40 0.00 99.60 0.04 0.02 0.27 99.55 0.11 0.00 0.00 0.00 47 I H H 9.75 22.50 19.43 41.67 91.36 49.93 -63.93 -43.12 0.48 0.00 99.52 0.07 0.03 0.30 99.46 0.14 0.00 0.00 0.00 48 L H H 50.29 14.19 21.39 35.22 91.57 50.54 -63.62 -41.20 0.89 0.01 99.10 0.14 0.06 0.57 98.88 0.33 0.00 0.00 0.00 49 E H H 114.68 2.99 25.08 27.75 91.68 50.59 -64.58 -40.77 3.45 0.02 96.53 0.41 0.23 2.61 96.02 0.72 0.01 0.01 0.01 50 L H H 41.75 13.06 20.79 34.07 92.31 48.65 -67.11 -39.21 8.30 0.06 91.64 1.05 0.74 6.26 90.85 1.02 0.02 0.03 0.02 51 A H H 14.75 18.99 17.09 35.71 92.95 52.16 -67.78 -35.70 21.27 0.32 78.40 4.65 3.10 13.77 76.12 1.99 0.07 0.13 0.17 52 G H H 29.86 9.42 20.02 29.64 97.60 57.82 -57.98 -40.58 40.14 0.81 59.05 10.53 6.16 24.61 52.90 4.90 0.10 0.39 0.41 53 N H H 95.46 4.26 21.11 25.38 96.13 40.57 -75.40 -29.13 41.48 1.68 56.85 14.06 8.61 20.54 46.53 8.45 0.15 1.00 0.67 54 A H H 35.97 10.28 16.32 27.72 95.93 58.88 -70.57 -30.66 39.82 4.58 55.61 18.19 8.00 15.57 43.81 9.86 0.16 3.30 1.11 55 A H H 31.42 13.12 12.83 26.51 98.73 63.55 -74.42 -18.44 44.96 6.89 48.15 25.50 7.87 13.70 37.91 8.34 0.11 4.90 1.67 56 R C H 143.97 4.46 14.84 20.51 100.32 66.26 -79.35 -14.19 51.83 7.33 40.84 25.31 10.98 17.50 32.70 6.44 0.25 4.77 2.06 57 D C C 103.13 3.17 13.55 17.70 102.37 51.45 -86.14 18.61 68.56 3.22 28.22 27.15 16.27 25.56 22.73 5.20 0.07 1.89 1.13 58 N C C 91.09 6.15 11.15 18.67 106.44 70.58 -92.47 69.95 80.87 1.08 18.05 31.79 18.63 30.80 12.01 5.66 0.01 0.48 0.61 59 K C C 147.07 3.46 12.81 17.55 98.06 -161.42 -72.62 -0.96 76.87 1.37 21.76 29.68 20.59 27.07 13.03 8.22 0.01 0.62 0.77 60 K C C 119.75 5.72 13.64 20.60 106.42 85.63 -88.31 70.43 71.61 3.71 24.68 36.60 17.88 17.54 14.84 9.54 0.03 2.14 1.43 61 T C C 69.74 9.67 14.29 24.63 107.40 106.97 -92.43 58.08 70.19 6.85 22.96 46.32 13.49 10.11 14.64 8.78 0.02 4.78 1.87 62 R C C 114.59 8.92 19.47 28.60 115.87 108.06 -98.06 134.46 66.95 12.54 20.51 41.99 17.19 7.96 14.13 6.79 0.05 8.86 3.03 63 I C C 27.01 20.55 14.53 34.63 112.71 -127.11 -91.78 123.23 67.36 17.39 15.26 48.84 13.96 3.73 12.05 3.95 0.03 8.90 8.53 64 I C C 55.79 9.60 21.74 31.86 118.74 -158.71 -92.36 147.27 81.20 1.60 17.20 71.72 6.59 1.27 18.59 0.60 0.00 0.80 0.43 65 P H H 51.85 14.02 16.30 30.44 92.50 -114.24 -57.89 -38.21 7.98 0.14 91.88 3.05 1.12 3.97 89.75 1.98 0.01 0.08 0.04 66 R H H 138.22 3.54 22.13 25.86 91.74 53.48 -63.99 -38.45 4.03 0.06 95.92 1.03 0.45 2.49 93.78 2.19 0.01 0.03 0.01 67 H H H 47.69 14.29 19.76 33.99 92.25 49.73 -66.47 -40.23 1.90 0.04 98.07 0.64 0.23 1.01 95.76 2.32 0.00 0.03 0.01 68 L H H 8.75 22.98 17.41 40.33 91.72 51.09 -64.11 -42.40 1.29 0.02 98.69 0.47 0.15 0.65 97.80 0.91 0.00 0.01 0.00 69 Q H H 75.89 9.79 22.83 32.68 91.27 51.59 -63.15 -41.52 1.48 0.02 98.50 0.36 0.14 0.93 97.87 0.68 0.00 0.01 0.00 70 L H H 55.10 6.16 23.26 30.15 91.51 50.70 -63.96 -42.20 1.61 0.02 98.36 0.32 0.17 1.08 97.50 0.89 0.00 0.01 0.00 71 A H H 8.79 16.84 17.64 35.56 91.56 50.80 -63.94 -41.90 2.15 0.04 97.80 0.54 0.23 1.31 96.54 1.33 0.01 0.02 0.01 72 I H H 30.36 17.51 17.20 34.41 92.72 48.09 -66.79 -38.77 4.35 0.06 95.59 0.65 0.42 3.18 93.44 2.23 0.02 0.04 0.02 73 R H H 141.70 4.31 20.04 25.02 92.63 51.55 -69.33 -30.73 13.24 0.06 86.70 0.75 0.95 11.46 85.24 1.51 0.04 0.02 0.03 74 N C T 92.54 5.13 17.14 22.83 100.67 32.38 -102.95 5.87 58.60 0.23 41.18 8.42 6.64 41.79 41.16 1.74 0.02 0.08 0.15 75 D C C 47.49 15.32 10.47 25.14 108.13 110.68 -88.72 102.87 72.70 0.35 26.95 65.71 3.80 2.26 26.82 1.08 0.00 0.10 0.23 76 D H H 110.04 1.78 17.76 19.54 93.74 58.42 -65.77 -34.91 8.64 0.05 91.31 1.48 1.26 5.83 87.21 4.15 0.02 0.02 0.02 77 E H H 95.28 5.05 18.21 24.00 92.39 52.29 -65.97 -40.42 4.74 0.05 95.22 0.90 0.48 3.30 91.44 3.82 0.01 0.03 0.01 78 L H H 9.17 21.66 12.26 33.95 92.04 50.42 -64.78 -41.85 2.10 0.04 97.87 0.54 0.24 1.25 94.58 3.35 0.00 0.03 0.01 79 N H H 63.95 11.40 16.37 28.29 91.29 53.77 -63.37 -37.58 1.94 0.03 98.03 0.44 0.19 1.21 95.26 2.87 0.00 0.02 0.00 80 K H H 144.86 1.36 21.30 21.16 92.10 52.70 -65.93 -38.44 3.45 0.03 96.52 0.27 0.22 2.96 92.54 3.96 0.01 0.02 0.01 81 L H H 50.80 13.02 17.41 30.63 94.23 46.30 -72.55 -37.16 5.61 0.04 94.35 0.25 0.38 5.22 91.83 2.26 0.03 0.02 0.01 82 L H H 19.53 20.87 13.48 33.83 99.01 37.32 -93.55 -12.54 25.78 0.58 73.63 2.71 3.74 20.14 70.23 2.36 0.23 0.24 0.34 83 G C T 38.30 5.70 18.59 25.45 109.65 -155.88 64.89 -133.52 85.67 2.14 12.19 15.16 10.69 59.55 8.66 3.76 0.02 1.32 0.83 84 N C T 122.26 2.47 19.17 21.87 101.63 1.17 -90.55 32.35 85.41 4.23 10.36 15.53 15.23 55.21 5.34 4.51 0.03 3.29 0.87 85 V C C 33.84 18.91 11.34 29.58 116.91 157.73 -92.44 132.89 78.74 14.07 7.20 67.65 7.91 2.69 4.99 2.47 0.01 12.03 2.25 86 T C C 75.03 5.56 21.72 27.92 119.55 -160.94 -108.29 132.11 51.02 42.11 6.87 44.16 3.28 1.77 5.75 1.92 0.01 35.28 7.82 87 I E E 47.06 18.37 13.08 30.65 111.42 -159.60 -94.97 119.20 39.84 42.02 18.14 29.22 5.80 4.60 12.66 6.74 0.14 35.53 5.31 88 A C C 56.87 8.08 15.44 24.24 104.00 -115.38 -74.35 -25.22 42.09 25.61 32.30 23.00 8.74 13.42 11.46 18.88 0.23 21.41 2.86 89 Q C T 134.93 2.72 16.48 19.81 101.61 24.70 -80.39 28.49 51.71 12.27 36.02 11.93 10.88 31.26 9.09 24.49 0.39 9.28 2.70 90 G C T 42.64 7.26 15.77 23.67 104.46 -36.82 88.28 1.36 66.41 4.16 29.43 11.71 13.93 41.75 5.89 22.35 0.07 2.75 1.53 91 G C T 28.00 11.33 16.33 27.84 119.08 -11.83 97.27 20.59 75.16 16.70 8.14 26.24 21.46 29.50 2.44 5.13 0.05 12.40 2.79 92 V C C 54.48 13.69 17.08 30.80 120.90 -89.38 -106.97 136.14 52.90 41.97 5.14 33.99 13.51 4.17 3.44 2.26 0.18 21.45 21.00 93 L C C 40.24 15.99 15.15 31.41 112.89 -128.33 -86.27 123.98 80.29 12.81 6.91 68.00 8.99 2.60 5.57 1.92 0.01 10.20 2.73 94 P C T 66.63 8.19 17.15 26.29 106.79 -117.25 -66.29 143.44 63.56 5.86 30.59 21.58 9.95 31.41 22.41 8.71 0.13 4.57 1.24 95 N C T 94.92 5.52 18.18 24.23 97.48 16.32 4.23 27.29 61.68 3.84 34.48 23.26 7.89 29.92 25.77 9.24 0.09 2.72 1.11 96 I H H 35.09 16.20 12.64 28.94 95.80 127.86 -70.47 -33.32 39.51 4.69 55.80 21.47 6.85 12.15 39.05 15.71 0.08 3.57 1.11 97 H H H 74.47 12.31 13.28 25.77 95.05 57.65 -70.44 -28.85 30.79 3.73 65.48 16.67 4.68 10.21 43.20 21.45 0.06 3.00 0.71 98 Q H H 122.48 2.80 14.43 18.29 94.26 62.22 -68.01 -32.07 22.45 2.27 75.29 7.96 3.76 9.95 44.06 31.96 0.08 1.81 0.42 99 N H H 107.62 3.32 13.16 17.67 95.55 54.93 -76.48 -18.52 30.61 2.04 67.34 8.37 4.23 16.06 39.69 29.48 0.12 1.48 0.57 100 L H H 68.06 11.93 9.80 21.77 98.66 58.30 -84.22 -14.21 45.66 2.65 51.69 21.78 3.52 20.30 32.70 18.79 0.06 1.60 1.23 101 L C C 86.97 9.66 12.60 22.79 105.19 86.19 -83.57 56.92 99.46 0.37 0.17 99.19 0.25 0.16 0.12 0.01 0.00 0.19 0.07