# 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 96.27 9.18 12.14 22.29 116.94 -149.55 -92.73 134.92 99.98 0.01 0.00 99.93 0.05 0.01 0.00 0.00 0.00 0.00 0.00 1 P C C 84.05 5.41 12.03 19.12 112.91 -111.86 -67.60 148.18 98.59 0.39 1.01 97.22 0.26 1.60 0.33 0.27 0.00 0.18 0.13 2 R C C 166.10 3.18 11.74 16.81 113.00 -124.49 -88.45 132.65 91.80 5.59 2.61 80.05 7.74 3.89 1.09 1.37 0.00 2.82 3.04 3 V C C 71.92 10.75 9.09 20.40 116.10 -147.70 -97.24 131.11 90.16 6.78 3.06 79.54 8.00 2.68 1.56 1.37 0.00 4.12 2.74 4 K C C 145.55 2.67 14.45 18.28 114.83 -154.41 -93.48 133.52 89.71 5.06 5.23 68.91 12.79 8.02 3.45 1.80 0.00 3.36 1.65 5 G C C 42.51 7.25 12.31 20.53 114.72 -24.24 90.43 164.19 88.52 1.92 9.57 51.23 23.30 13.89 7.33 2.44 0.00 0.94 0.86 6 G C C 34.42 6.56 12.96 20.79 119.80 138.50 93.75 -171.62 66.25 0.91 32.84 36.74 20.28 8.59 31.11 2.50 0.01 0.32 0.47 7 T H H 93.77 2.63 15.18 18.12 95.19 -56.15 -67.21 -34.76 21.24 0.45 78.30 10.10 5.87 7.01 74.24 2.38 0.03 0.20 0.19 8 V H H 70.72 5.39 15.79 22.18 93.38 51.58 -66.68 -40.41 12.51 0.41 87.08 6.51 2.60 4.48 83.94 2.10 0.02 0.22 0.13 9 T H H 33.64 11.74 13.45 26.34 92.89 50.91 -65.59 -41.25 8.32 0.24 91.44 5.11 1.40 2.56 89.09 1.62 0.01 0.13 0.07 10 R H H 116.77 5.56 16.99 23.60 92.23 51.41 -64.51 -40.89 4.09 0.06 95.85 2.05 0.62 1.49 94.98 0.81 0.00 0.03 0.01 11 K H H 116.99 2.23 19.39 20.87 92.23 50.19 -65.21 -41.16 2.39 0.02 97.59 0.97 0.31 1.01 97.22 0.47 0.00 0.01 0.01 12 R H H 91.97 8.61 17.57 26.92 92.07 49.49 -65.33 -40.97 1.74 0.01 98.25 0.62 0.20 0.80 98.02 0.35 0.00 0.01 0.00 13 R H H 73.88 14.30 15.91 30.03 91.93 51.60 -63.20 -41.26 1.15 0.01 98.84 0.35 0.12 0.55 98.73 0.24 0.00 0.00 0.00 14 K H H 112.92 3.46 20.59 24.10 91.96 50.52 -64.46 -40.56 1.00 0.00 99.00 0.27 0.10 0.50 98.93 0.19 0.00 0.00 0.00 15 K H H 105.77 3.36 21.02 23.92 91.90 49.91 -64.86 -41.20 1.35 0.01 98.65 0.32 0.13 0.74 98.59 0.22 0.00 0.00 0.00 16 V H H 24.18 14.97 16.32 31.99 92.09 49.59 -64.62 -42.41 1.05 0.00 98.95 0.22 0.11 0.63 98.73 0.31 0.00 0.00 0.00 17 L H H 51.82 12.26 17.00 29.84 91.88 50.81 -63.55 -40.23 1.11 0.00 98.89 0.20 0.10 0.71 98.04 0.94 0.00 0.00 0.00 18 K H H 131.79 1.85 21.68 22.35 91.97 51.41 -64.69 -39.51 3.53 0.01 96.46 0.30 0.21 2.85 94.51 2.11 0.01 0.00 0.00 19 L H H 78.06 6.63 18.01 25.44 92.40 50.09 -68.55 -33.78 8.78 0.01 91.21 0.40 0.52 7.67 88.92 2.47 0.02 0.00 0.01 20 A H H 16.01 18.32 11.36 29.46 94.37 53.86 -79.62 -14.30 31.20 0.13 68.67 4.19 3.54 23.39 62.05 6.63 0.05 0.05 0.10 21 K C T 136.82 4.61 15.79 22.49 100.58 106.59 -64.04 48.63 59.18 0.19 40.64 3.22 3.25 51.87 19.24 22.14 0.01 0.09 0.19 22 G C T 59.98 1.41 16.76 17.67 97.01 37.18 -2.25 -2.60 67.23 0.21 32.56 4.71 5.11 56.76 9.93 23.20 0.00 0.11 0.18 23 Y C C 102.00 11.08 10.90 22.50 108.72 94.88 -91.41 84.42 75.76 1.80 22.44 48.56 11.83 14.71 5.58 17.42 0.00 0.90 0.99 24 F C C 129.96 5.53 12.60 19.81 117.52 136.75 -102.87 136.08 88.75 5.30 5.95 65.18 11.56 11.76 2.75 2.97 0.00 2.41 3.37 25 G C C 43.17 4.78 13.22 19.58 125.66 106.37 116.86 -171.38 93.18 3.23 3.59 48.44 29.57 15.51 1.10 2.37 0.00 1.70 1.32 26 S C C 68.26 3.62 13.28 18.01 117.12 -68.93 -91.40 148.54 93.91 2.61 3.48 69.45 18.27 6.10 1.55 1.86 0.00 1.17 1.60 27 K C H 140.18 4.32 11.21 17.43 95.71 -124.75 -66.55 -28.27 57.19 0.99 41.81 18.24 18.55 21.52 25.95 14.60 0.05 0.40 0.69 28 H C T 146.53 1.62 13.38 15.19 95.86 57.66 -74.18 -25.09 52.13 0.42 47.45 7.83 11.36 32.36 31.66 16.19 0.07 0.19 0.33 29 T H H 72.23 4.30 13.73 19.21 101.21 46.21 -88.68 -13.14 47.43 0.97 51.60 16.64 7.79 23.28 36.30 14.90 0.05 0.47 0.57 30 L H H 56.14 10.38 12.39 23.98 94.30 76.60 -65.99 -38.74 19.75 0.54 79.72 13.46 3.86 3.74 76.31 2.19 0.01 0.22 0.21 31 Y H H 109.43 7.95 15.74 24.57 92.82 53.29 -65.42 -41.25 4.24 0.07 95.69 1.90 0.68 1.64 94.90 0.83 0.00 0.03 0.02 32 K H H 124.51 2.13 19.85 21.17 92.57 49.41 -65.74 -41.00 2.37 0.03 97.60 0.91 0.29 1.07 97.01 0.68 0.00 0.02 0.01 33 V H H 56.73 5.90 18.82 25.82 92.48 48.87 -65.38 -41.61 1.47 0.01 98.51 0.49 0.17 0.71 98.22 0.40 0.00 0.00 0.00 34 A H H 15.16 14.32 15.06 30.76 91.79 51.17 -63.43 -42.25 0.90 0.00 99.10 0.27 0.08 0.42 99.07 0.16 0.00 0.00 0.00 35 N H H 72.26 6.73 19.94 27.23 91.74 50.61 -64.19 -41.19 0.63 0.00 99.37 0.15 0.05 0.31 99.40 0.09 0.00 0.00 0.00 36 Q H H 97.84 2.64 21.78 23.49 92.01 49.66 -64.79 -41.32 0.28 0.00 99.72 0.04 0.02 0.15 99.73 0.06 0.00 0.00 0.00 37 Q H H 68.67 8.41 19.00 28.24 92.23 49.60 -65.49 -40.90 0.27 0.00 99.73 0.04 0.01 0.15 99.74 0.06 0.00 0.00 0.00 38 V H H 42.69 12.49 16.84 29.92 92.34 49.85 -64.40 -41.93 0.40 0.00 99.60 0.06 0.02 0.24 99.61 0.07 0.00 0.00 0.00 39 M H H 98.28 3.91 20.31 24.18 91.90 49.47 -64.17 -41.45 0.89 0.00 99.11 0.12 0.06 0.56 99.14 0.13 0.00 0.00 0.00 40 K H H 115.79 2.66 20.52 22.72 92.18 48.90 -65.35 -41.16 1.84 0.00 98.16 0.23 0.13 1.22 98.22 0.20 0.00 0.00 0.00 41 S H H 35.58 9.05 16.86 27.10 92.25 50.68 -64.84 -40.76 1.95 0.00 98.04 0.30 0.16 1.20 98.05 0.29 0.00 0.00 0.00 42 G H H 28.72 7.79 17.72 26.28 92.55 50.70 -64.29 -40.79 2.33 0.00 97.67 0.34 0.18 1.51 97.56 0.41 0.00 0.00 0.00 43 N H H 87.10 2.93 19.76 22.27 92.36 50.39 -65.48 -41.13 2.02 0.00 97.98 0.36 0.17 1.22 97.82 0.42 0.00 0.00 0.00 44 Y H H 110.19 3.97 19.12 23.36 92.40 49.49 -65.14 -41.43 1.60 0.00 98.39 0.33 0.16 0.92 98.12 0.46 0.00 0.00 0.00 45 A H H 34.48 8.51 15.78 25.54 92.25 51.13 -64.26 -41.39 2.03 0.00 97.96 0.39 0.17 1.21 97.72 0.50 0.00 0.00 0.00 46 F H H 103.56 4.55 17.98 22.89 92.25 49.75 -65.14 -41.21 2.86 0.01 97.14 0.55 0.28 1.80 96.66 0.70 0.00 0.00 0.00 47 R H H 130.51 2.24 18.82 20.45 92.22 49.83 -65.05 -40.90 4.58 0.01 95.41 0.75 0.45 3.04 95.11 0.64 0.00 0.00 0.01 48 D H H 62.20 5.09 16.59 22.65 92.67 49.41 -66.60 -39.14 10.07 0.02 89.91 2.18 0.90 6.19 90.03 0.67 0.00 0.00 0.01 49 R H H 102.98 7.24 15.90 23.80 92.22 52.05 -64.56 -40.76 3.56 0.01 96.43 1.02 0.44 1.78 96.27 0.48 0.00 0.00 0.00 50 R H H 130.83 2.84 17.66 20.67 92.20 50.40 -65.08 -41.01 2.39 0.01 97.61 0.60 0.25 1.27 97.46 0.41 0.00 0.00 0.00 51 Q H H 95.02 2.58 17.89 20.27 92.14 49.57 -65.22 -40.93 2.08 0.00 97.92 0.58 0.22 1.06 97.75 0.38 0.00 0.00 0.00 52 K H H 97.52 5.43 16.83 22.93 92.09 50.18 -64.78 -40.90 1.55 0.00 98.44 0.42 0.15 0.76 98.43 0.24 0.00 0.00 0.00 53 K H H 95.11 6.53 16.77 24.17 91.99 50.59 -64.57 -40.80 1.17 0.00 98.82 0.26 0.10 0.62 98.83 0.19 0.00 0.00 0.00 54 R H H 122.90 3.04 18.43 21.53 92.06 50.30 -64.76 -41.34 0.84 0.00 99.16 0.16 0.07 0.46 99.17 0.14 0.00 0.00 0.00 55 D H H 74.07 3.32 19.00 22.23 91.90 49.56 -65.01 -41.32 0.89 0.00 99.11 0.16 0.06 0.50 99.15 0.13 0.00 0.00 0.00 56 F H H 75.11 8.66 17.33 26.97 92.24 49.92 -64.50 -41.52 0.55 0.00 99.45 0.08 0.03 0.31 99.48 0.09 0.00 0.00 0.00 57 R H H 96.10 10.42 17.77 28.55 91.83 51.54 -63.75 -41.25 0.32 0.00 99.68 0.04 0.02 0.18 99.70 0.06 0.00 0.00 0.00 58 K H H 116.93 3.23 20.72 23.83 91.84 50.10 -64.59 -41.12 0.29 0.00 99.71 0.03 0.01 0.19 99.71 0.06 0.00 0.00 0.00 59 L H H 75.39 4.97 20.99 26.21 91.99 49.74 -64.79 -41.57 0.23 0.00 99.77 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 60 W H H 45.03 15.83 18.22 34.19 92.03 50.22 -64.32 -42.33 0.25 0.00 99.75 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 61 I H H 49.52 12.87 19.83 32.95 91.75 50.00 -63.66 -42.11 0.23 0.00 99.77 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 62 T H H 73.64 3.07 24.26 26.41 91.91 49.99 -64.63 -41.62 0.19 0.00 99.81 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 63 R H H 89.59 9.75 23.01 32.73 91.98 49.28 -65.20 -41.56 0.31 0.00 99.69 0.02 0.01 0.23 99.68 0.05 0.00 0.00 0.00 64 I H H 9.64 22.68 18.62 41.15 91.75 49.23 -64.54 -43.07 0.24 0.00 99.76 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 65 N H H 63.80 9.80 23.16 33.09 91.41 50.81 -62.97 -41.82 0.25 0.00 99.75 0.03 0.01 0.14 99.79 0.04 0.00 0.00 0.00 66 A H H 46.49 3.38 24.64 27.57 91.22 50.29 -63.45 -42.04 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 67 A H H 13.05 13.20 19.26 33.97 91.74 50.55 -64.17 -42.36 0.15 0.00 99.85 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 68 A H H 8.60 17.48 14.55 33.02 91.45 51.48 -63.34 -41.94 0.29 0.00 99.71 0.02 0.01 0.18 99.69 0.10 0.00 0.00 0.00 69 R H H 161.22 2.12 19.41 21.69 91.91 50.27 -63.70 -40.79 0.72 0.00 99.28 0.05 0.03 0.55 99.02 0.35 0.00 0.00 0.00 70 M H H 124.00 3.04 17.24 21.00 91.45 51.57 -66.41 -31.59 4.95 0.00 95.04 0.10 0.14 4.81 94.47 0.48 0.00 0.00 0.00 71 N C T 67.38 10.06 13.33 24.51 95.25 43.49 -94.89 3.44 66.29 0.01 33.70 0.26 0.86 65.19 33.02 0.65 0.00 0.00 0.01 72 G C T 62.60 0.95 19.33 18.60 94.41 -112.19 74.33 19.92 99.91 0.00 0.09 0.87 0.97 98.12 0.03 0.01 0.00 0.00 0.00 73 L C C 33.99 16.49 9.78 26.19 123.49 135.81 -105.99 145.04 99.67 0.29 0.04 96.44 3.15 0.07 0.02 0.01 0.00 0.07 0.24 74 S C C 58.26 2.85 23.06 24.57 119.84 -123.38 -80.73 156.27 99.72 0.21 0.07 99.46 0.28 0.04 0.04 0.00 0.00 0.05 0.13 75 Y H H 72.38 18.29 13.03 30.53 92.01 -116.06 -59.13 -38.42 1.90 0.00 98.09 0.40 0.26 0.96 97.99 0.38 0.00 0.00 0.00 76 S H H 72.44 2.82 20.83 23.69 91.36 55.79 -63.25 -39.80 0.70 0.00 99.30 0.08 0.05 0.45 98.92 0.50 0.00 0.00 0.00 77 R H H 114.12 5.80 21.55 27.75 91.93 49.60 -65.72 -40.44 0.20 0.00 99.80 0.02 0.01 0.12 99.44 0.41 0.00 0.00 0.00 78 L H H 6.27 23.80 15.60 39.43 91.83 50.18 -64.18 -43.37 0.20 0.00 99.80 0.02 0.01 0.11 99.72 0.14 0.00 0.00 0.00 79 M H H 54.01 13.94 20.69 34.34 91.78 49.99 -63.77 -42.36 0.24 0.00 99.76 0.02 0.01 0.15 99.77 0.04 0.00 0.00 0.00 80 H H H 101.24 2.72 24.74 26.24 91.77 50.69 -63.93 -41.93 0.23 0.00 99.77 0.02 0.01 0.16 99.77 0.05 0.00 0.00 0.00 81 G H H 9.31 13.50 19.02 33.85 91.86 51.09 -63.38 -42.64 0.34 0.00 99.66 0.03 0.01 0.23 99.65 0.08 0.00 0.00 0.00 82 L H H 10.35 21.07 15.12 36.31 92.00 50.33 -64.27 -41.83 0.37 0.00 99.63 0.03 0.02 0.26 99.50 0.19 0.00 0.00 0.00 83 K H H 129.73 3.98 19.62 24.76 91.52 50.70 -63.17 -40.40 0.65 0.00 99.35 0.04 0.02 0.50 99.02 0.41 0.00 0.00 0.00 84 L H H 105.86 4.14 18.18 23.07 90.89 53.73 -65.54 -30.14 5.39 0.00 94.60 0.10 0.14 5.33 93.89 0.55 0.00 0.00 0.00 85 S C T 34.17 13.76 13.81 28.20 93.42 50.82 -87.82 -0.10 72.30 0.01 27.69 0.22 0.74 71.51 26.90 0.61 0.00 0.00 0.01 86 G C T 56.59 1.83 21.02 22.14 94.77 -113.65 77.03 18.69 99.84 0.00 0.16 1.00 0.67 98.24 0.06 0.02 0.00 0.00 0.00 87 I C C 28.53 19.33 10.49 29.35 114.39 141.85 -97.89 123.98 97.75 2.06 0.19 96.31 1.54 0.22 0.08 0.06 0.00 1.26 0.53 88 E C C 136.46 2.50 22.81 25.15 110.53 -146.12 -94.34 115.19 96.25 3.54 0.21 93.59 2.64 0.43 0.09 0.08 0.00 2.40 0.77 89 V C C 20.23 22.20 10.61 31.83 126.17 167.14 -120.26 140.56 95.47 4.36 0.17 88.85 7.21 0.17 0.11 0.05 0.00 2.05 1.56 90 N C C 79.71 4.01 23.13 26.35 120.52 -128.62 -85.63 160.24 99.21 0.57 0.22 98.59 0.72 0.10 0.16 0.02 0.00 0.22 0.18 91 R H H 106.98 14.61 14.61 28.80 91.77 -108.95 -59.55 -37.44 1.35 0.00 98.65 0.19 0.17 0.75 98.63 0.25 0.00 0.00 0.00 92 K H H 127.38 3.85 20.53 25.12 91.75 53.75 -63.92 -40.68 0.66 0.00 99.34 0.05 0.05 0.46 99.11 0.32 0.00 0.00 0.00 93 M H H 59.31 9.94 20.76 31.26 92.13 48.78 -65.53 -41.60 0.35 0.00 99.65 0.04 0.02 0.23 99.35 0.36 0.00 0.00 0.00 94 L H H 8.61 22.59 17.88 40.28 91.42 50.39 -63.56 -42.88 0.16 0.00 99.84 0.01 0.01 0.09 99.82 0.07 0.00 0.00 0.00 95 A H H 17.90 15.25 20.48 36.16 91.55 51.36 -63.27 -41.75 0.30 0.00 99.70 0.03 0.01 0.18 99.72 0.06 0.00 0.00 0.00 96 D H H 70.28 4.89 25.59 30.62 91.63 50.31 -64.40 -41.13 0.69 0.00 99.31 0.04 0.03 0.50 99.33 0.09 0.00 0.00 0.00 97 L H H 19.91 15.32 20.66 36.62 91.82 50.49 -64.33 -41.84 0.64 0.00 99.36 0.04 0.04 0.44 99.25 0.22 0.00 0.00 0.00 98 A H H 9.12 20.94 17.17 38.01 91.88 51.68 -65.60 -36.27 1.47 0.00 98.52 0.14 0.09 1.10 98.13 0.54 0.00 0.00 0.00 99 V H H 70.49 10.02 20.33 30.36 94.75 48.82 -75.42 -32.87 6.56 0.00 93.43 0.12 0.23 6.31 92.75 0.58 0.00 0.00 0.00 100 N H H 100.05 3.79 20.06 24.24 100.85 31.87 -97.18 -23.43 15.37 0.03 84.60 0.38 1.59 13.07 84.51 0.41 0.02 0.01 0.02 101 D C C 60.07 9.07 16.95 26.94 116.02 15.94 -138.14 94.03 99.00 0.15 0.85 94.37 3.99 0.62 0.78 0.08 0.00 0.04 0.12 102 L H H 68.24 14.78 14.46 29.23 93.88 172.49 -63.44 -35.51 1.96 0.00 98.04 0.21 0.15 1.35 97.46 0.83 0.00 0.00 0.00 103 T H H 89.09 2.42 23.44 25.31 91.68 55.30 -63.87 -40.11 0.93 0.00 99.07 0.05 0.04 0.75 98.33 0.83 0.00 0.00 0.00 104 A H H 16.67 11.67 19.33 32.64 91.44 51.25 -64.10 -41.61 0.25 0.00 99.75 0.02 0.01 0.17 99.15 0.65 0.00 0.00 0.00 105 F H H 8.28 24.00 16.51 40.44 91.63 50.73 -63.69 -42.78 0.14 0.00 99.86 0.02 0.00 0.08 99.77 0.13 0.00 0.00 0.00 106 N H H 66.03 8.66 23.50 32.35 91.45 51.26 -63.52 -41.84 0.14 0.00 99.86 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 107 Q H H 97.55 3.19 26.08 28.57 91.65 50.44 -64.36 -42.10 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 108 L H H 13.94 19.01 20.89 39.81 91.59 49.10 -64.72 -42.89 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 109 A H H 11.01 19.39 19.58 38.95 91.31 50.74 -62.56 -42.86 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 110 D H H 87.56 2.71 25.95 27.88 91.54 49.94 -63.96 -41.28 0.22 0.00 99.78 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 111 A H H 40.35 6.42 23.10 30.13 91.70 49.54 -64.45 -41.83 0.22 0.00 99.78 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 112 A H H 6.25 20.05 15.75 36.47 91.64 50.87 -64.12 -42.32 0.34 0.00 99.66 0.04 0.02 0.20 99.68 0.07 0.00 0.00 0.00 113 K H H 92.01 9.00 19.81 29.19 91.70 51.41 -63.26 -41.23 0.75 0.00 99.25 0.08 0.04 0.48 99.19 0.20 0.00 0.00 0.00 114 A H H 61.53 1.95 20.32 20.82 91.94 50.79 -64.45 -40.55 2.16 0.00 97.84 0.20 0.12 1.56 97.66 0.44 0.00 0.00 0.00 115 Q H H 79.68 7.58 15.77 24.53 92.49 50.46 -67.09 -37.44 6.89 0.01 93.10 0.64 0.46 5.25 92.79 0.85 0.00 0.00 0.00 116 L H H 54.25 14.01 11.13 25.13 93.06 53.37 -69.69 -29.54 21.89 0.07 78.04 2.62 2.05 16.50 77.51 1.23 0.02 0.02 0.05 117 N C H 121.31 1.89 13.53 16.12 96.67 55.31 -81.01 -7.52 55.98 0.18 43.84 18.88 1.50 32.21 46.03 1.19 0.00 0.06 0.13 118 K C C 141.61 2.85 12.34 16.69 103.01 84.09 -81.15 27.54 99.94 0.01 0.05 99.77 0.07 0.11 0.04 0.00 0.00 0.00 0.00