# 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 93.80 7.20 12.66 21.00 113.90 -146.03 -84.92 141.08 99.83 0.06 0.11 99.73 0.09 0.07 0.07 0.00 0.00 0.02 0.01 1 A C C 64.97 4.20 11.27 16.91 105.31 -107.03 -71.12 149.33 65.96 0.58 33.46 60.16 0.93 4.41 32.82 1.21 0.00 0.23 0.25 2 K H H 143.40 2.26 10.74 14.16 97.57 -22.79 -68.87 -34.87 34.88 0.52 64.60 23.14 5.25 7.17 61.63 2.35 0.00 0.21 0.23 3 E H H 125.67 2.04 11.88 14.61 95.91 54.20 -69.81 -37.17 21.24 0.31 78.45 12.85 3.49 5.71 75.17 2.52 0.01 0.14 0.12 4 S H H 55.83 3.84 12.29 17.55 95.92 53.29 -68.73 -37.79 17.23 0.25 82.52 11.54 2.33 4.06 79.73 2.12 0.00 0.11 0.10 5 M H H 89.23 5.45 12.97 19.64 93.62 52.56 -65.78 -40.41 5.58 0.06 94.36 3.26 0.85 1.69 93.33 0.82 0.00 0.03 0.02 6 K H H 120.34 2.37 15.86 18.44 92.71 51.69 -65.42 -40.51 2.53 0.02 97.44 1.21 0.34 0.98 97.03 0.41 0.00 0.01 0.01 7 A H H 51.55 3.15 15.91 19.87 92.00 50.59 -64.68 -41.07 1.52 0.01 98.47 0.58 0.17 0.67 98.30 0.27 0.00 0.00 0.00 8 R H H 104.54 6.39 16.43 23.84 92.12 50.28 -65.10 -40.55 0.88 0.00 99.12 0.29 0.09 0.40 99.08 0.15 0.00 0.00 0.00 9 E H H 82.42 6.18 17.04 24.41 91.89 50.97 -64.34 -41.04 0.69 0.00 99.30 0.21 0.06 0.33 99.30 0.10 0.00 0.00 0.00 10 V H H 76.52 2.67 19.52 21.76 91.66 49.91 -63.95 -42.08 0.55 0.00 99.45 0.13 0.04 0.28 99.49 0.06 0.00 0.00 0.00 11 K H H 99.66 4.58 19.69 24.67 91.80 49.67 -64.47 -41.44 0.51 0.00 99.48 0.12 0.03 0.27 99.52 0.06 0.00 0.00 0.00 12 R H H 75.61 12.83 17.20 30.25 91.86 50.68 -63.78 -41.71 0.43 0.00 99.57 0.08 0.02 0.24 99.61 0.05 0.00 0.00 0.00 13 E H H 95.85 5.86 19.96 26.52 91.48 50.81 -63.76 -41.15 0.34 0.00 99.66 0.05 0.02 0.19 99.70 0.04 0.00 0.00 0.00 14 K H H 119.45 2.07 22.65 23.24 91.79 49.48 -64.83 -41.27 0.46 0.00 99.53 0.06 0.02 0.28 99.59 0.05 0.00 0.00 0.00 15 T H H 35.03 9.65 19.28 30.17 91.87 49.40 -64.37 -42.60 0.56 0.00 99.44 0.09 0.03 0.33 99.50 0.05 0.00 0.00 0.00 16 V H H 25.62 15.52 17.15 33.13 91.83 49.63 -64.02 -41.67 0.26 0.00 99.74 0.04 0.02 0.15 99.75 0.04 0.00 0.00 0.00 17 A H H 53.88 3.69 21.57 25.12 91.32 50.68 -63.36 -41.76 0.23 0.00 99.77 0.02 0.01 0.15 99.76 0.05 0.00 0.00 0.00 18 K H H 112.21 2.64 22.86 24.42 91.78 49.39 -64.84 -41.72 0.51 0.00 99.49 0.04 0.02 0.36 99.50 0.08 0.00 0.00 0.00 19 Y H H 39.71 14.14 17.58 32.44 92.05 48.82 -65.52 -41.36 0.56 0.00 99.44 0.05 0.02 0.39 99.47 0.07 0.00 0.00 0.00 20 A H H 29.79 11.04 17.72 29.93 91.70 52.29 -62.75 -41.70 0.25 0.00 99.75 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 21 E H H 114.06 1.81 22.61 22.56 91.57 49.88 -64.55 -41.64 0.25 0.00 99.75 0.02 0.01 0.15 99.77 0.04 0.00 0.00 0.00 22 K H H 98.36 5.94 20.60 27.04 91.78 49.04 -65.45 -40.90 0.36 0.00 99.64 0.04 0.01 0.22 99.68 0.05 0.00 0.00 0.00 23 R H H 58.19 15.88 16.09 31.69 91.88 51.19 -64.00 -41.23 0.51 0.00 99.49 0.08 0.03 0.28 99.56 0.06 0.00 0.00 0.00 24 K H H 111.07 3.76 21.10 24.99 91.61 50.96 -63.57 -40.78 0.65 0.00 99.35 0.12 0.04 0.35 99.40 0.09 0.00 0.00 0.00 25 A H H 51.60 2.59 19.76 21.88 91.50 50.66 -63.84 -41.54 1.17 0.01 98.82 0.23 0.10 0.67 98.78 0.22 0.00 0.00 0.00 26 L H H 26.74 11.42 13.62 26.98 91.71 50.09 -64.63 -41.22 1.89 0.02 98.09 0.52 0.20 1.00 97.81 0.45 0.00 0.01 0.00 27 L H H 73.70 9.77 13.84 24.45 91.91 51.23 -63.69 -40.26 3.20 0.04 96.76 0.90 0.29 1.77 96.32 0.69 0.00 0.02 0.01 28 E H H 151.60 0.96 16.06 16.05 91.05 52.35 -65.68 -30.29 9.58 0.05 90.36 0.95 0.65 7.47 90.21 0.67 0.01 0.02 0.02 29 A C T 69.58 3.14 13.18 17.49 92.90 53.77 -84.60 -5.03 70.97 0.06 28.98 1.12 2.22 65.59 30.05 0.95 0.01 0.02 0.05 30 G C T 56.41 2.24 14.43 17.48 95.67 -108.82 81.08 10.30 97.65 0.06 2.29 4.57 4.51 88.56 1.96 0.34 0.00 0.03 0.03 31 D C C 65.76 6.76 12.87 21.46 105.91 129.87 -97.63 85.39 93.26 0.33 6.41 86.88 3.04 3.68 4.95 1.10 0.00 0.12 0.24 32 Y H H 102.41 11.62 12.32 24.66 95.50 169.78 -71.60 -22.14 32.97 0.51 66.52 19.51 5.59 9.57 54.69 10.11 0.02 0.22 0.28 33 E H H 123.75 1.97 19.31 20.74 92.56 64.80 -64.11 -38.35 14.01 0.14 85.85 2.39 1.77 8.91 69.10 17.66 0.04 0.08 0.05 34 G H H 17.90 8.42 15.80 26.32 92.40 52.48 -64.90 -38.47 9.19 0.08 90.72 1.63 1.00 5.54 70.10 21.65 0.01 0.05 0.02 35 L H H 19.72 20.16 11.47 31.16 91.74 55.06 -65.11 -35.57 5.44 0.05 94.51 0.84 0.55 3.33 69.29 25.95 0.00 0.03 0.01 36 Q H H 118.59 4.49 18.15 23.95 90.86 60.58 -67.76 -24.72 22.83 0.11 77.06 1.22 1.49 18.23 54.86 24.02 0.05 0.05 0.07 37 R C T 171.48 1.48 19.35 19.83 94.71 56.30 -88.41 -5.54 54.52 0.14 45.34 2.26 3.40 48.20 26.27 19.64 0.02 0.06 0.15 38 L C S 29.23 20.15 7.91 26.47 117.82 110.23 -73.38 143.89 99.69 0.15 0.16 17.25 82.15 0.31 0.10 0.03 0.00 0.03 0.12 39 P C C 63.99 5.29 15.89 22.64 113.28 -103.04 -63.67 147.40 98.64 0.73 0.63 97.25 0.93 0.53 0.20 0.25 0.00 0.21 0.62 40 K C T 158.73 2.86 13.05 18.02 93.90 -117.81 -63.39 -28.50 94.10 0.30 5.59 5.18 14.04 74.29 0.64 5.45 0.00 0.15 0.26 41 N C T 124.80 1.66 16.07 17.71 97.85 51.51 -93.37 9.58 94.03 0.34 5.63 9.51 10.50 73.18 0.60 5.81 0.00 0.19 0.20 42 A C C 24.58 15.82 9.69 25.59 116.29 130.32 -73.91 143.44 94.13 1.25 4.62 69.71 20.97 2.58 1.19 3.77 0.00 0.35 1.43 43 S C C 40.33 7.33 18.34 26.78 118.62 -125.09 -86.68 147.23 97.91 0.55 1.53 87.11 10.02 0.52 1.33 0.19 0.00 0.10 0.72 44 P H H 60.04 11.47 16.13 28.33 92.12 -119.33 -59.36 -33.22 19.39 0.10 80.51 2.45 2.37 14.10 69.24 11.66 0.07 0.05 0.07 45 V H H 59.15 11.47 18.16 29.89 92.42 57.82 -67.44 -35.47 14.67 0.09 85.24 1.30 1.43 11.28 71.49 14.33 0.07 0.05 0.05 46 R H H 94.39 11.65 18.88 30.51 92.48 54.36 -68.08 -34.02 9.49 0.15 90.35 1.84 1.23 5.89 73.48 17.40 0.03 0.09 0.05 47 L H H 48.51 15.06 17.72 32.53 93.51 54.46 -71.50 -29.06 13.73 0.37 85.90 3.17 2.13 8.36 70.05 15.85 0.09 0.21 0.16 48 H H H 81.11 11.74 20.39 31.84 96.51 57.28 -80.52 -14.94 44.83 0.76 54.41 5.86 6.21 32.49 45.04 9.23 0.26 0.36 0.56 49 N C T 55.21 12.69 19.48 32.24 99.30 52.57 -95.84 6.07 75.43 1.10 23.47 16.11 10.81 48.48 17.13 6.19 0.04 0.55 0.70 50 R E B 89.66 10.04 20.65 31.35 122.94 100.54 -95.42 146.89 37.60 60.99 1.41 23.71 4.00 0.32 1.05 0.15 0.00 4.21 66.55 51 C C C 10.38 19.84 12.57 33.13 110.91 -111.98 -69.78 133.73 96.30 3.50 0.21 95.50 0.84 0.21 0.13 0.04 0.00 0.77 2.52 52 K C T 129.38 4.68 19.50 25.32 92.91 -141.94 -68.06 -29.34 99.61 0.08 0.31 0.38 4.06 95.30 0.05 0.14 0.00 0.03 0.04 53 L C T 78.25 9.50 17.02 27.01 98.85 42.51 -81.83 -40.89 99.66 0.04 0.30 0.04 2.01 97.78 0.01 0.12 0.00 0.01 0.02 54 T C T 59.77 7.14 15.78 24.26 102.09 20.79 -107.26 -15.43 99.69 0.04 0.27 0.17 2.55 97.10 0.02 0.11 0.00 0.02 0.02 55 G C C 43.89 5.90 15.31 22.69 94.91 -120.08 80.66 7.38 99.51 0.40 0.09 70.18 24.51 4.73 0.02 0.07 0.00 0.14 0.35 56 R C C 108.50 6.33 16.26 24.21 118.37 135.14 -84.56 141.63 97.20 2.75 0.05 69.61 27.59 0.24 0.01 0.03 0.00 0.74 1.78 57 P E B 71.97 7.93 17.76 26.41 112.21 -103.38 -66.14 146.85 46.87 52.44 0.69 31.14 9.39 0.74 0.45 0.23 0.00 8.92 49.12 58 R C C 103.91 11.99 17.59 29.26 118.91 -78.57 -103.67 133.96 93.94 4.43 1.64 71.38 17.98 4.18 0.37 1.44 0.00 2.15 2.50 59 G C S 19.16 12.78 17.33 30.43 120.62 150.25 -106.54 -134.07 91.11 5.03 3.86 36.89 48.35 6.33 1.28 2.32 0.00 2.53 2.28 60 Y C S 89.03 10.89 18.84 30.01 99.31 -56.53 -84.84 -17.31 64.24 30.43 5.33 23.37 36.37 5.20 3.43 1.94 0.21 14.97 14.51 61 I E B 34.17 16.88 13.15 29.94 101.26 78.42 -86.08 54.88 23.54 55.35 21.11 15.37 5.88 3.78 16.08 3.29 1.04 19.57 34.99 62 R H G 148.96 4.71 16.52 22.85 94.09 107.72 -65.76 -37.43 22.70 0.39 76.90 1.04 1.54 19.40 26.82 50.77 0.05 0.28 0.09 63 Q H G 121.89 3.20 17.53 21.38 95.60 43.77 -74.07 -37.33 22.21 0.16 77.63 0.33 0.95 20.85 28.32 49.27 0.12 0.09 0.08 64 F H G 68.84 12.27 15.37 28.18 99.26 26.62 -102.06 -10.21 22.51 0.08 77.41 0.35 1.34 20.69 31.93 45.50 0.09 0.04 0.06 65 G C T 31.80 7.65 20.97 29.81 94.63 -119.84 75.66 14.39 98.88 0.73 0.39 15.76 23.74 59.52 0.14 0.19 0.00 0.45 0.19 66 I C C 17.96 18.84 17.08 36.30 128.64 116.74 -118.25 149.66 56.03 43.65 0.32 37.39 18.50 0.34 0.27 0.11 0.00 21.04 22.35 67 S C C 18.10 12.72 22.00 35.64 120.49 -114.73 -75.89 159.17 73.75 26.05 0.19 74.62 0.81 0.07 0.17 0.03 0.00 15.50 8.80 68 R H H 76.68 15.93 18.81 34.52 91.66 -111.47 -59.13 -37.73 3.36 0.01 96.63 0.53 0.66 1.69 96.95 0.16 0.00 0.00 0.00 69 V H H 69.49 5.78 24.12 30.03 91.92 53.70 -64.06 -41.86 0.95 0.00 99.05 0.10 0.08 0.67 99.02 0.13 0.00 0.00 0.00 70 T H H 28.35 12.50 21.72 34.82 91.97 48.20 -65.10 -42.08 0.32 0.00 99.68 0.04 0.02 0.21 99.64 0.10 0.00 0.00 0.00 71 F H H 5.76 25.04 16.82 42.04 91.60 50.21 -63.23 -43.37 0.07 0.00 99.93 0.01 0.00 0.04 99.92 0.03 0.00 0.00 0.00 72 R H H 95.08 10.76 21.80 32.42 91.61 50.75 -62.93 -42.08 0.07 0.00 99.92 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 73 E H H 95.29 3.40 23.29 26.00 91.71 49.25 -64.52 -42.28 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 74 M H H 26.43 13.19 17.65 32.13 91.87 48.65 -64.90 -41.88 0.26 0.00 99.74 0.02 0.01 0.17 99.74 0.06 0.00 0.00 0.00 75 A H H 17.42 17.03 13.74 30.93 91.97 51.19 -63.49 -41.53 0.67 0.00 99.33 0.05 0.02 0.50 99.16 0.27 0.00 0.00 0.00 76 N H H 113.03 2.79 17.77 21.35 90.97 51.50 -66.81 -28.32 4.25 0.00 95.74 0.07 0.10 4.26 95.25 0.31 0.00 0.00 0.00 77 N C T 104.77 2.58 16.26 19.12 92.82 52.56 -85.90 -2.87 76.75 0.01 23.24 0.17 1.00 75.34 22.97 0.49 0.00 0.00 0.02 78 G C T 46.92 5.78 14.94 22.22 94.91 -113.34 79.91 11.53 99.63 0.01 0.36 0.56 2.76 96.44 0.18 0.04 0.00 0.00 0.00 79 L C S 72.44 8.82 16.63 26.68 94.08 124.58 -74.78 -27.09 99.65 0.28 0.06 16.54 82.20 0.96 0.02 0.03 0.00 0.08 0.18 80 I C S 15.62 21.72 12.05 33.52 114.94 30.79 -127.01 104.07 98.94 0.94 0.12 22.58 75.62 0.76 0.03 0.07 0.00 0.31 0.64 81 P C T 75.59 6.03 20.53 27.29 111.46 -139.72 -66.88 137.81 98.79 0.80 0.40 12.31 14.88 71.50 0.04 0.43 0.00 0.52 0.31 82 G C T 41.67 6.13 19.83 26.67 96.41 20.38 85.36 -2.10 96.74 2.72 0.54 11.44 12.69 72.54 0.06 0.59 0.00 2.24 0.42 83 V C C 26.15 21.47 10.41 30.90 115.57 129.43 -85.66 131.51 84.81 14.87 0.32 79.10 5.30 0.52 0.12 0.21 0.00 9.36 5.39 84 K C C 122.00 3.75 20.33 25.06 127.00 -171.52 -124.95 147.88 69.29 30.15 0.56 65.35 2.61 0.59 0.24 0.32 0.00 24.65 6.24 85 K C C 114.74 9.53 14.03 24.53 114.62 -106.93 -72.86 140.50 68.65 27.18 4.17 56.91 7.21 3.47 1.16 3.25 0.00 23.90 4.10 86 A C C 52.80 10.24 9.86 20.84 110.66 -125.47 -82.42 134.59 88.40 5.40 6.20 59.71 15.94 11.76 0.72 6.63 0.00 4.46 0.79 87 S C C 89.88 1.86 11.73 14.62 109.22 -136.15 -94.56 89.22 92.26 3.16 4.58 79.88 3.00 9.65 0.75 3.64 0.00 2.34 0.73 88 W C C 160.62 5.86 11.44 18.64 105.19 72.82 -86.50 27.69 99.82 0.14 0.04 99.70 0.12 0.07 0.01 0.01 0.00 0.08 0.02