# 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 103.58 7.47 15.10 23.48 115.15 -151.57 -92.81 134.50 99.95 0.04 0.01 99.89 0.05 0.03 0.00 0.00 0.00 0.02 0.00 1 A C C 64.79 7.33 13.91 22.43 115.57 -127.16 -85.05 140.43 95.53 1.89 2.57 92.01 1.52 2.34 1.83 0.46 0.00 0.83 1.02 2 I C C 40.77 17.13 9.16 25.39 115.65 -119.13 -90.91 132.81 95.99 1.35 2.65 78.11 16.05 1.70 2.30 0.46 0.00 0.51 0.87 3 T C C 67.58 3.27 16.64 20.25 119.29 -126.24 -79.43 160.57 96.32 0.56 3.12 92.60 2.94 0.76 2.95 0.25 0.00 0.18 0.31 4 Q H H 121.96 4.66 12.18 18.82 92.27 -111.96 -59.12 -38.70 4.35 0.01 95.63 1.48 0.97 1.77 95.24 0.52 0.00 0.01 0.01 5 E H H 133.86 1.09 16.23 16.05 92.10 52.71 -64.73 -40.31 2.47 0.01 97.53 0.57 0.33 1.36 97.20 0.52 0.00 0.00 0.00 6 R H H 93.38 7.85 15.21 24.32 92.17 48.30 -66.20 -39.70 1.30 0.01 98.70 0.45 0.15 0.64 98.19 0.56 0.00 0.00 0.00 7 K H H 43.80 17.15 13.14 29.96 91.47 52.35 -62.79 -42.24 0.52 0.00 99.48 0.16 0.05 0.24 99.40 0.16 0.00 0.00 0.00 8 N H H 81.40 4.40 19.72 24.60 91.57 50.54 -64.27 -40.22 0.48 0.00 99.52 0.10 0.03 0.25 99.54 0.09 0.00 0.00 0.00 9 Q H H 93.25 2.42 21.64 22.83 91.76 50.32 -64.57 -41.41 0.47 0.00 99.52 0.06 0.03 0.29 99.52 0.10 0.00 0.00 0.00 10 L H H 15.07 16.38 16.54 33.84 92.12 49.79 -63.80 -43.29 0.59 0.00 99.41 0.08 0.04 0.37 99.33 0.18 0.00 0.00 0.00 11 I H H 26.37 17.56 15.80 33.44 91.83 50.02 -63.42 -41.37 0.70 0.00 99.30 0.08 0.05 0.49 98.83 0.57 0.00 0.00 0.00 12 N H H 110.44 2.07 20.69 22.41 91.66 51.40 -65.05 -36.61 2.85 0.00 97.14 0.14 0.11 2.54 93.98 3.22 0.00 0.00 0.00 13 E H H 112.12 4.19 19.84 24.41 92.33 50.93 -69.39 -32.07 10.71 0.00 89.28 0.27 0.40 10.33 85.77 3.22 0.01 0.00 0.00 14 F H H 36.72 17.87 13.45 31.10 99.95 39.82 -101.79 -0.93 29.47 0.09 70.44 3.07 3.97 22.43 66.93 3.43 0.05 0.03 0.09 15 K C C 82.00 13.03 14.39 27.77 109.79 116.79 -71.92 124.04 94.28 0.80 4.93 78.82 8.05 7.30 3.01 1.62 0.00 0.24 0.95 16 T C C 80.29 6.72 15.99 23.91 100.99 175.38 -96.51 -17.52 96.54 0.62 2.85 58.21 30.97 7.27 1.00 1.71 0.00 0.20 0.63 17 H C C 97.02 3.88 15.86 20.62 132.93 28.00 -134.17 159.36 96.33 2.14 1.53 49.69 43.49 2.30 0.53 0.79 0.00 0.40 2.81 18 E C T 151.50 2.64 12.96 17.47 91.86 -104.67 -61.90 -28.04 98.93 0.12 0.95 0.85 7.17 90.98 0.07 0.79 0.00 0.07 0.06 19 S C T 88.52 1.66 15.39 17.19 95.17 53.01 -90.42 1.78 99.37 0.10 0.53 1.92 5.47 91.93 0.04 0.54 0.00 0.06 0.04 20 D C C 36.52 15.63 9.93 25.66 107.86 116.38 -78.43 112.78 97.99 1.73 0.28 90.13 6.86 0.59 0.08 0.17 0.00 0.50 1.68 21 T C C 81.93 6.41 18.67 25.91 100.81 168.58 -99.98 -0.56 99.17 0.46 0.37 68.28 7.75 23.12 0.10 0.22 0.00 0.21 0.31 22 G C S 31.36 12.70 17.60 29.94 98.50 56.36 55.27 6.99 99.04 0.56 0.40 28.43 41.64 29.01 0.10 0.28 0.00 0.23 0.30 23 S C C 37.25 8.76 20.94 30.73 116.64 140.79 -76.11 141.52 99.41 0.30 0.29 84.08 15.06 0.14 0.28 0.03 0.00 0.05 0.35 24 P H H 38.91 17.37 17.79 34.97 92.18 -124.99 -59.87 -36.64 1.48 0.00 98.52 0.19 0.19 0.87 98.58 0.17 0.00 0.00 0.00 25 E H H 88.11 11.43 22.57 33.69 91.64 55.53 -63.76 -40.24 0.44 0.00 99.56 0.04 0.03 0.29 99.52 0.12 0.00 0.00 0.00 26 V H H 28.14 14.06 22.18 36.45 92.18 49.30 -65.65 -41.80 0.08 0.00 99.92 0.01 0.00 0.05 99.88 0.07 0.00 0.00 0.00 27 Q H H 35.60 18.11 23.39 40.32 91.79 50.85 -63.83 -42.88 0.04 0.00 99.96 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 28 I H H 15.98 20.46 23.21 42.99 91.50 49.61 -63.71 -43.14 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 29 A H H 25.62 12.03 25.47 38.02 91.61 50.75 -63.78 -42.25 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 30 I H H 37.06 13.85 25.27 39.10 91.76 49.34 -64.62 -42.99 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 31 L H H 14.15 21.40 22.90 43.51 91.95 49.83 -64.21 -42.53 0.13 0.00 99.87 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 32 T H H 29.95 15.68 23.23 38.36 91.95 50.51 -64.01 -42.17 0.19 0.00 99.81 0.02 0.01 0.10 99.86 0.02 0.00 0.00 0.00 33 D H H 61.23 6.84 25.53 32.82 91.73 49.84 -64.63 -41.93 0.18 0.00 99.82 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 34 S H H 25.35 13.51 22.67 36.23 91.95 49.91 -64.57 -42.16 0.33 0.00 99.67 0.03 0.01 0.19 99.73 0.04 0.00 0.00 0.00 35 I H H 12.73 20.99 19.21 39.99 91.74 50.19 -64.27 -42.44 0.40 0.00 99.60 0.04 0.02 0.26 99.62 0.07 0.00 0.00 0.00 36 N H H 73.89 6.95 23.62 30.77 91.62 51.16 -63.79 -40.66 1.04 0.00 98.96 0.08 0.05 0.71 99.06 0.10 0.00 0.00 0.00 37 N H H 72.90 4.97 23.50 28.54 91.82 49.68 -65.51 -40.38 2.37 0.00 97.63 0.16 0.12 1.74 97.83 0.15 0.00 0.00 0.00 38 L H H 14.88 18.63 17.47 36.32 92.14 51.25 -65.07 -40.96 1.27 0.00 98.73 0.11 0.09 0.86 98.76 0.17 0.00 0.00 0.00 39 N H H 49.79 12.11 18.90 31.42 91.61 53.12 -62.97 -41.23 0.70 0.00 99.30 0.09 0.05 0.43 99.25 0.18 0.00 0.00 0.00 40 E H H 105.22 2.00 22.59 22.77 91.82 50.16 -64.45 -41.24 0.82 0.00 99.18 0.09 0.05 0.59 98.90 0.38 0.00 0.00 0.00 41 H H H 54.33 8.57 17.29 27.50 92.05 49.81 -65.57 -40.46 1.05 0.00 98.94 0.08 0.06 0.82 98.32 0.71 0.00 0.00 0.00 42 L H H 28.08 15.80 12.10 28.30 91.95 52.15 -65.89 -35.84 2.17 0.00 97.83 0.16 0.15 1.77 96.65 1.28 0.00 0.00 0.00 43 R H H 156.69 2.34 16.26 19.12 92.65 51.68 -67.85 -33.75 8.74 0.00 91.26 0.33 0.44 7.91 90.24 1.07 0.01 0.00 0.00 44 T H H 98.14 1.48 15.38 16.22 97.13 41.16 -83.42 -29.61 18.02 0.02 81.96 0.73 2.07 14.93 81.45 0.78 0.02 0.00 0.02 45 H C C 84.08 8.02 9.88 19.26 109.92 39.97 -113.40 85.96 87.82 0.29 11.88 52.78 19.43 14.51 11.41 1.46 0.00 0.07 0.35 46 K C T 152.85 2.70 13.15 17.38 97.70 -163.15 -62.68 -7.25 95.27 0.16 4.57 15.67 12.62 67.03 1.63 2.85 0.00 0.08 0.12 47 K C T 146.50 2.93 13.66 17.37 97.76 51.61 -83.25 30.12 95.35 0.17 4.48 11.40 18.18 65.88 1.32 3.01 0.00 0.08 0.14 48 D C C 53.66 9.45 10.15 21.12 107.08 100.19 -94.41 101.96 93.64 0.30 6.06 84.42 6.91 2.84 3.58 1.85 0.00 0.09 0.31 49 H H H 126.06 3.28 14.67 19.40 94.71 -171.77 -67.68 -32.47 25.64 0.12 74.24 9.71 4.87 11.59 67.87 5.83 0.01 0.04 0.08 50 H H H 117.88 2.61 17.30 19.83 92.66 54.95 -66.20 -39.24 15.73 0.05 84.22 3.44 2.10 9.85 78.94 5.60 0.01 0.02 0.03 51 S H H 23.49 12.21 13.71 27.24 92.15 51.32 -65.73 -39.82 8.79 0.05 91.16 3.29 1.18 4.11 86.27 5.11 0.00 0.03 0.02 52 R H H 101.71 10.02 17.32 27.73 91.90 52.42 -63.98 -40.58 4.02 0.03 95.96 1.58 0.60 1.78 94.29 1.73 0.00 0.01 0.01 53 R H H 134.52 2.02 22.10 22.69 91.88 50.55 -64.45 -41.75 1.27 0.00 98.72 0.29 0.14 0.66 98.52 0.37 0.00 0.00 0.00 54 G H H 20.27 7.90 18.87 28.27 91.86 50.91 -63.76 -41.98 1.06 0.00 98.93 0.21 0.09 0.60 98.79 0.30 0.00 0.00 0.00 55 L H H 24.68 17.93 16.01 33.89 92.13 50.42 -64.15 -41.72 0.49 0.00 99.50 0.08 0.03 0.28 99.40 0.19 0.00 0.00 0.00 56 L H H 88.29 5.32 21.41 27.14 91.54 50.93 -64.18 -40.85 0.30 0.00 99.70 0.04 0.02 0.18 99.64 0.12 0.00 0.00 0.00 57 K H H 122.55 2.27 22.93 23.97 91.98 49.60 -65.10 -40.97 0.54 0.00 99.46 0.05 0.03 0.37 99.43 0.13 0.00 0.00 0.00 58 M H H 31.54 14.90 18.15 33.50 91.98 49.21 -65.44 -41.96 0.84 0.00 99.16 0.07 0.04 0.61 99.13 0.15 0.00 0.00 0.00 59 V H H 30.94 15.06 18.39 33.73 91.66 50.88 -63.74 -42.46 0.52 0.00 99.48 0.06 0.03 0.33 99.49 0.09 0.00 0.00 0.00 60 G H H 33.80 2.93 22.57 24.82 91.35 51.12 -63.00 -42.58 0.75 0.00 99.25 0.08 0.04 0.49 99.30 0.09 0.00 0.00 0.00 61 K H H 94.32 5.92 22.19 28.38 91.62 49.31 -64.84 -41.08 0.50 0.00 99.50 0.05 0.03 0.32 99.52 0.08 0.00 0.00 0.00 62 R H H 36.12 19.23 17.33 35.90 91.84 50.87 -63.81 -41.58 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 63 R H H 114.01 8.34 21.48 30.23 91.34 51.60 -62.70 -41.24 0.14 0.00 99.86 0.01 0.01 0.08 99.86 0.04 0.00 0.00 0.00 64 N H H 88.83 2.35 24.29 25.18 91.59 49.98 -64.31 -41.54 0.19 0.00 99.81 0.01 0.01 0.13 99.80 0.05 0.00 0.00 0.00 65 L H H 24.29 15.19 20.04 35.65 91.61 49.90 -64.28 -42.85 0.23 0.00 99.77 0.01 0.01 0.16 99.75 0.06 0.00 0.00 0.00 66 L H H 16.00 19.25 17.77 37.08 91.46 50.87 -63.05 -41.68 0.30 0.00 99.69 0.03 0.01 0.19 99.66 0.11 0.00 0.00 0.00 67 T H H 67.92 3.43 23.28 26.09 91.43 50.93 -63.42 -41.70 0.74 0.00 99.26 0.06 0.03 0.54 99.04 0.32 0.00 0.00 0.00 68 Y H H 85.43 5.35 20.93 27.07 91.63 50.08 -63.86 -42.03 1.34 0.00 98.66 0.09 0.08 1.04 98.10 0.68 0.00 0.00 0.00 69 L H H 10.82 18.77 14.03 33.46 92.01 50.23 -65.32 -41.35 2.62 0.00 97.37 0.28 0.22 1.90 96.18 1.41 0.00 0.00 0.00 70 R H H 101.73 11.24 15.47 27.10 91.64 54.60 -64.07 -35.94 10.29 0.02 89.70 0.71 0.60 8.69 88.00 1.97 0.01 0.01 0.01 71 N H H 123.99 1.17 17.96 17.83 92.80 50.61 -74.50 -22.31 26.10 0.03 73.87 1.09 1.57 22.81 72.95 1.53 0.02 0.01 0.02 72 K C H 118.19 4.78 14.92 20.76 101.52 40.73 -93.14 -22.55 56.93 0.14 42.93 3.81 17.25 33.33 44.19 1.24 0.02 0.03 0.14 73 D C C 69.63 6.71 15.15 23.08 111.83 4.92 -134.75 93.98 97.62 0.23 2.15 91.80 2.63 3.14 1.94 0.24 0.00 0.07 0.19 74 V H H 64.71 11.60 11.89 24.49 93.90 -165.78 -63.37 -35.77 2.28 0.00 97.71 0.71 0.26 1.00 97.71 0.32 0.00 0.00 0.00 75 T H H 93.27 1.44 19.54 19.51 91.68 54.30 -63.71 -41.40 0.86 0.00 99.14 0.08 0.06 0.61 98.94 0.31 0.00 0.00 0.00 76 R H H 93.99 6.52 18.38 25.91 91.85 49.02 -65.38 -40.74 0.30 0.00 99.70 0.04 0.02 0.19 99.49 0.27 0.00 0.00 0.00 77 Y H H 14.47 21.31 13.42 34.71 91.67 51.10 -63.00 -43.16 0.10 0.00 99.90 0.01 0.00 0.06 99.86 0.07 0.00 0.00 0.00 78 R H H 110.98 7.05 20.38 28.15 91.23 51.21 -62.92 -41.38 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 79 E H H 100.75 2.16 22.70 23.19 91.55 49.95 -63.91 -42.16 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 80 L H H 15.49 16.02 17.43 34.49 91.81 49.25 -64.12 -43.14 0.18 0.00 99.82 0.01 0.01 0.11 99.82 0.05 0.00 0.00 0.00 81 I H H 16.35 18.65 15.00 33.98 91.81 49.56 -63.45 -43.07 0.40 0.00 99.60 0.04 0.02 0.25 99.53 0.15 0.00 0.00 0.00 82 N H H 110.29 1.97 19.23 20.91 91.72 48.86 -64.29 -40.27 1.19 0.00 98.81 0.09 0.05 0.91 98.48 0.46 0.00 0.00 0.00 83 K H H 129.06 3.10 17.91 21.54 91.62 51.11 -66.19 -34.29 5.35 0.00 94.65 0.16 0.20 4.98 94.06 0.59 0.00 0.00 0.00 84 L H H 32.56 16.72 12.42 29.28 93.93 47.90 -86.78 -7.97 45.20 0.04 54.76 0.76 1.97 41.64 54.35 1.22 0.01 0.01 0.04 85 G C T 49.06 2.79 20.62 23.19 96.83 -114.84 75.47 21.19 97.97 0.07 1.97 7.83 3.72 86.67 1.35 0.37 0.00 0.03 0.03 86 L C C 35.25 18.55 9.10 26.47 110.15 143.54 -89.20 116.97 95.09 0.83 4.08 79.98 7.82 7.56 1.94 1.79 0.00 0.38 0.52 87 R C C 148.60 3.92 15.01 20.46 116.81 -165.96 -99.16 140.14 95.05 1.85 3.10 88.43 1.81 5.46 1.42 1.03 0.00 0.86 1.00 88 R C C 153.30 5.78 14.10 21.61 109.60 -114.21 -75.89 129.48 99.96 0.03 0.01 99.91 0.06 0.02 0.00 0.00 0.00 0.01 0.00