# 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 G C C 46.93 4.85 12.44 18.88 119.58 -154.36 -79.68 173.69 99.86 0.12 0.01 99.66 0.19 0.07 0.00 0.00 0.00 0.06 0.02 1 K C C 158.62 1.89 10.96 14.28 111.40 -90.20 -94.20 124.79 94.27 3.52 2.21 79.63 3.78 10.85 0.85 1.12 0.00 1.95 1.81 2 G C C 49.99 3.65 9.76 15.13 118.70 -72.41 102.23 172.72 93.09 4.04 2.87 45.59 31.58 16.29 0.81 1.94 0.00 1.93 1.85 3 T C C 89.07 3.93 10.00 15.64 117.09 -72.78 -95.64 140.12 90.18 4.87 4.95 62.38 24.13 3.49 2.58 2.22 0.00 1.96 3.24 4 P C C 98.78 3.48 10.92 16.09 105.57 -118.25 -70.75 109.00 71.36 3.15 25.49 44.05 10.68 16.69 8.37 17.10 0.01 1.84 1.26 5 S C C 76.60 3.98 10.64 16.12 106.89 -107.91 -87.86 81.32 64.90 4.31 30.79 33.28 12.22 20.28 11.21 18.79 0.05 2.38 1.80 6 F C C 121.23 6.24 10.26 17.85 107.33 60.09 -93.49 54.74 57.57 5.70 36.72 27.48 13.78 17.78 15.57 19.63 0.21 2.84 2.70 7 G C C 40.14 5.73 11.66 18.83 114.95 -139.64 94.92 -157.30 63.32 4.47 32.21 31.96 14.62 17.82 16.05 15.08 0.09 2.25 2.14 8 K C C 148.18 2.45 12.72 16.24 106.14 -41.66 -83.34 42.02 61.31 5.70 32.99 29.83 15.56 17.22 16.52 15.21 0.16 2.94 2.56 9 R C C 146.15 4.28 10.80 16.79 110.46 73.07 -86.36 122.64 63.55 6.61 29.84 34.14 14.72 15.66 14.91 13.97 0.13 3.43 3.03 10 H C C 118.93 6.03 10.44 17.91 105.86 67.44 -90.79 54.03 74.24 5.30 20.46 41.79 15.12 17.65 10.49 9.54 0.04 2.71 2.66 11 N C C 101.86 4.32 12.17 17.99 110.75 58.94 -98.24 106.74 83.03 3.65 13.32 41.25 20.42 22.20 5.31 7.21 0.01 1.75 1.84 12 K C C 130.45 5.51 11.81 18.89 105.40 -153.29 -86.04 32.88 85.65 4.29 10.06 36.43 27.62 22.63 2.99 6.25 0.01 2.09 1.98 13 S C C 71.13 4.81 14.03 20.10 104.53 99.27 -90.83 -1.22 87.16 6.32 6.52 44.78 25.40 17.51 1.45 4.93 0.00 3.60 2.33 14 H C C 88.10 10.12 13.86 24.77 117.68 80.46 -104.14 131.58 83.69 13.43 2.87 60.46 17.04 6.13 0.61 2.40 0.00 10.82 2.55 15 T C C 49.79 11.00 16.45 28.46 121.55 -157.63 -109.88 136.80 65.59 33.20 1.21 51.69 11.14 2.37 0.31 0.96 0.00 31.34 2.18 16 L E B 73.60 9.01 18.83 28.61 120.69 -145.37 -99.97 137.82 9.73 90.13 0.14 7.57 0.65 0.03 0.15 0.02 0.00 32.90 58.67 17 C C C 13.32 18.25 11.07 30.03 109.69 -114.48 -73.04 125.66 84.48 15.47 0.05 85.61 0.52 0.05 0.01 0.02 0.00 11.12 2.68 18 N C T 104.32 4.35 17.16 22.85 93.56 -151.88 -69.74 -25.87 99.74 0.08 0.18 0.41 2.76 96.61 0.00 0.15 0.00 0.05 0.02 19 R C T 137.10 4.58 16.14 21.89 99.83 45.53 -82.40 -40.29 99.81 0.03 0.16 0.04 1.31 98.52 0.00 0.10 0.00 0.01 0.00 20 C C T 59.21 6.64 14.12 22.38 101.96 20.59 -108.44 -13.49 99.85 0.03 0.12 0.13 1.79 97.97 0.00 0.09 0.00 0.02 0.00 21 G C C 43.30 4.81 15.89 22.00 95.04 -119.54 81.92 6.43 99.19 0.73 0.08 81.54 10.47 7.14 0.02 0.07 0.00 0.37 0.38 22 R C C 96.25 8.07 15.27 24.99 119.81 137.83 -79.17 147.59 91.99 7.98 0.03 85.16 7.01 0.16 0.01 0.02 0.00 5.94 1.70 23 R E E 119.78 9.07 19.21 28.86 116.58 -126.59 -96.46 134.70 12.56 87.40 0.03 11.45 0.73 0.03 0.03 0.01 0.00 47.80 39.95 24 S C E 18.71 15.85 17.68 33.87 134.29 150.67 -135.61 158.10 50.45 49.51 0.04 46.23 3.23 0.08 0.00 0.03 0.00 49.96 0.46 25 F E E 50.62 12.81 18.70 32.68 127.75 -147.33 -124.21 144.56 16.10 83.81 0.09 14.06 2.35 0.15 0.03 0.07 0.00 72.01 11.33 26 H E E 49.38 10.58 17.05 29.39 110.04 -121.58 -81.94 122.00 16.22 83.66 0.13 15.05 0.56 0.07 0.09 0.05 0.00 66.96 17.23 27 V C T 67.97 11.01 14.31 26.29 94.31 -153.14 -68.21 -31.89 92.75 1.75 5.51 2.68 6.05 82.99 0.22 6.35 0.00 1.44 0.27 28 Q C T 129.49 2.17 16.42 18.54 96.38 48.14 -77.30 -34.56 93.26 1.30 5.44 1.81 5.65 85.19 0.62 5.57 0.00 0.90 0.27 29 K C T 110.97 4.43 16.53 21.38 105.78 22.39 -111.27 9.36 94.90 0.37 4.73 3.60 5.85 84.33 0.55 5.30 0.00 0.26 0.11 30 K C T 102.89 10.97 15.27 26.73 96.40 -130.56 52.61 39.87 98.55 1.17 0.27 6.21 6.37 85.97 0.03 0.26 0.00 1.09 0.08 31 T E E 50.05 7.27 21.00 29.50 134.35 110.30 -130.76 156.77 3.35 96.64 0.01 2.70 0.59 0.05 0.01 0.01 0.00 65.60 31.05 32 C E E 12.27 19.62 13.10 33.38 111.51 -109.45 -75.33 131.03 24.51 75.47 0.02 24.88 0.32 0.02 0.01 0.01 0.00 64.68 10.07 33 S C T 54.93 8.35 18.52 28.00 94.02 -147.61 -69.74 -27.77 99.72 0.13 0.15 0.45 2.09 97.23 0.00 0.12 0.00 0.08 0.02 34 S C T 67.54 5.71 18.92 25.40 98.53 46.98 -81.28 -38.20 99.83 0.02 0.14 0.04 0.89 98.96 0.00 0.09 0.00 0.01 0.00 35 C C T 56.54 8.08 16.51 25.81 102.97 19.45 -110.08 -10.78 99.80 0.04 0.16 0.11 1.51 98.25 0.00 0.09 0.00 0.02 0.01 36 G C C 36.50 7.27 17.44 25.82 95.61 -117.20 82.04 6.53 98.27 1.61 0.12 80.45 11.44 6.40 0.04 0.07 0.00 0.66 0.94 37 Y C C 68.63 11.68 14.37 27.43 117.12 142.21 -77.24 141.61 92.17 7.63 0.20 82.20 10.07 0.24 0.15 0.08 0.00 4.71 2.56 38 P E B 64.14 7.24 19.51 27.40 113.59 -103.65 -67.11 150.06 20.16 78.38 1.46 14.75 1.71 0.50 0.97 0.43 0.02 17.90 63.71 39 A C C 41.37 12.67 13.86 26.98 112.90 -105.24 -70.74 145.77 76.20 5.07 18.73 62.07 8.43 5.50 5.48 13.67 0.00 3.53 1.32 40 A C C 54.33 9.80 13.41 24.08 106.98 -123.61 -75.29 132.14 61.13 4.15 34.72 38.14 11.61 11.66 10.95 23.68 0.01 2.49 1.47 41 K C C 143.15 3.02 14.30 18.50 105.38 47.20 -83.89 46.99 54.70 8.25 37.05 28.75 13.23 13.95 13.05 23.17 0.08 5.01 2.76 42 T C C 85.97 5.14 11.70 18.29 108.82 56.15 -90.56 96.04 59.46 12.06 28.48 36.06 12.79 10.69 13.38 15.24 0.09 7.35 4.41 43 R C C 130.46 7.04 9.91 18.27 110.36 85.34 -92.14 111.44 77.51 9.32 13.16 53.11 14.53 9.30 8.67 4.86 0.02 5.97 3.54 44 S C C 80.37 3.01 12.14 16.50 112.55 -143.15 -97.10 122.64 83.08 6.90 10.02 49.76 20.85 12.41 6.55 3.68 0.01 4.23 2.50 45 Y C C 139.49 5.36 10.50 17.36 111.64 -128.52 -96.73 107.57 78.66 3.56 17.77 29.71 29.12 19.91 14.02 3.77 0.04 1.85 1.57 46 N C C 112.17 3.18 12.89 17.31 101.85 -111.83 -78.96 46.76 71.10 2.47 26.43 31.77 18.48 21.28 22.02 4.18 0.04 1.15 1.09 47 W C H 128.05 7.32 11.14 19.76 98.81 131.99 -82.26 -11.06 49.49 1.62 48.89 23.20 8.97 18.19 43.88 4.21 0.04 0.79 0.71 48 G H H 29.87 6.22 13.31 21.18 101.33 62.42 -64.88 -54.58 31.69 0.97 67.34 18.02 6.30 8.98 62.16 3.67 0.02 0.49 0.36 49 A H H 61.67 2.89 15.44 18.81 93.60 48.31 -65.69 -39.59 10.06 0.53 89.41 4.84 2.14 4.23 84.61 3.67 0.04 0.35 0.12 50 K H H 104.26 3.99 15.59 20.54 92.77 51.70 -66.34 -39.08 7.71 0.66 91.62 3.67 1.40 3.58 86.91 3.76 0.04 0.53 0.11 51 A H H 31.33 8.54 12.30 22.88 92.50 52.52 -64.90 -40.16 7.71 0.66 91.64 3.85 1.34 3.42 86.83 3.87 0.04 0.54 0.11 52 K H H 120.46 2.97 16.21 19.77 92.66 51.68 -65.98 -39.44 10.53 0.74 88.73 4.28 1.76 5.39 84.08 3.73 0.06 0.54 0.16 53 R H H 139.66 2.39 15.64 18.32 93.23 50.91 -67.63 -37.60 16.67 0.80 82.53 5.89 2.75 9.02 78.18 3.35 0.08 0.49 0.25 54 R H H 114.05 6.89 13.23 21.41 94.55 55.34 -69.90 -33.31 26.47 1.29 72.23 13.36 4.66 9.86 67.70 3.19 0.05 0.68 0.49 55 H H H 116.53 5.34 14.18 20.61 96.79 58.26 -73.52 -26.78 36.13 1.52 62.35 18.97 5.84 12.15 58.40 3.24 0.04 0.79 0.57 56 T H H 83.54 3.85 14.49 19.18 99.57 57.33 -83.97 -27.14 45.91 1.72 52.37 18.72 10.42 17.58 48.38 3.26 0.08 0.80 0.75 57 T C H 78.78 4.73 14.13 19.84 101.73 46.88 -88.61 -13.67 59.60 1.57 38.83 19.42 18.10 21.82 36.50 2.70 0.06 0.61 0.80 58 G C C 36.77 6.51 13.51 21.37 107.11 -122.06 72.52 -14.34 77.74 1.21 21.05 36.42 21.33 19.51 18.40 3.19 0.01 0.50 0.63 59 T C H 76.56 4.56 14.76 20.14 98.70 45.81 -76.92 -27.64 51.84 1.30 46.86 26.03 13.13 13.33 42.36 3.96 0.03 0.55 0.60 60 G H H 34.05 4.96 15.09 21.29 96.68 52.87 -56.68 -42.12 35.79 1.09 63.12 16.47 9.01 12.15 55.96 5.37 0.07 0.55 0.43 61 R H H 116.92 5.75 14.66 21.54 93.70 54.38 -66.96 -38.40 21.41 1.02 77.57 12.10 3.82 6.90 69.79 6.39 0.04 0.65 0.31 62 M H H 91.69 5.01 14.72 20.89 93.28 52.87 -67.22 -37.03 13.41 0.85 85.74 7.69 2.23 4.58 77.63 7.04 0.02 0.63 0.19 63 R H H 134.79 2.59 16.25 19.09 92.29 53.82 -65.25 -39.85 10.90 0.65 88.45 4.91 1.81 4.84 81.05 6.73 0.04 0.48 0.14 64 Y H H 112.05 4.66 15.02 20.82 92.52 50.36 -65.54 -39.88 9.93 0.48 89.59 3.92 1.46 4.94 82.67 6.53 0.03 0.36 0.10 65 L H H 77.38 6.28 13.80 21.54 92.95 52.62 -64.84 -38.36 8.60 0.31 91.09 3.37 1.23 4.14 85.02 5.94 0.02 0.21 0.07 66 K H H 120.24 2.87 15.88 19.24 92.56 52.56 -66.76 -36.83 14.28 0.36 85.37 3.53 1.66 9.00 80.86 4.57 0.04 0.23 0.10 67 H H H 104.81 3.11 15.83 19.38 94.15 49.72 -71.31 -35.22 17.09 0.48 82.43 4.13 2.49 10.84 78.53 3.48 0.08 0.28 0.16 68 V H H 62.78 5.72 13.58 21.02 93.09 53.77 -64.67 -42.29 13.36 0.61 86.03 7.67 2.73 3.76 82.66 2.67 0.02 0.34 0.15 69 S H H 53.28 4.19 14.20 19.69 92.19 51.86 -64.24 -39.20 10.78 0.58 88.64 6.73 1.23 3.39 83.82 4.26 0.01 0.45 0.11 70 R H H 131.95 2.34 14.73 17.38 92.57 52.00 -65.94 -38.96 7.27 0.43 92.31 2.67 1.09 3.76 84.75 7.26 0.03 0.35 0.08 71 R H H 127.21 3.54 13.42 18.12 92.97 51.33 -67.56 -38.13 8.35 0.47 91.18 2.73 1.23 4.61 84.02 6.92 0.04 0.36 0.10 72 F H H 114.55 4.76 11.64 17.75 95.87 48.28 -77.14 -30.47 16.75 0.81 82.44 5.71 2.53 8.99 75.59 6.33 0.08 0.52 0.26 73 K H H 140.09 2.32 12.65 15.68 96.83 61.93 -71.84 -30.13 30.59 1.23 68.18 8.19 5.37 18.15 62.35 4.56 0.17 0.63 0.59 74 N C H 106.84 2.47 12.44 15.57 99.35 38.47 -91.22 4.54 54.47 1.06 44.46 10.27 9.91 34.45 39.43 4.72 0.12 0.46 0.63 75 G C T 44.43 4.54 11.56 17.63 100.60 -108.38 76.35 2.58 68.77 1.36 29.87 20.25 12.57 36.22 20.49 9.02 0.04 0.66 0.75 76 F C C 128.84 4.88 11.27 17.57 103.40 80.26 -83.56 6.85 63.27 5.70 31.03 29.58 12.99 21.66 19.04 11.00 0.11 3.28 2.34 77 Q C C 112.16 4.38 10.21 16.24 110.60 115.65 -91.73 118.60 63.60 8.59 27.81 33.72 13.65 17.17 18.08 9.03 0.17 5.07 3.12 78 T C T 102.19 2.50 10.74 14.84 110.55 -147.71 -93.76 126.79 72.39 4.21 23.39 23.30 16.73 32.71 16.12 6.85 0.10 2.49 1.70 79 G C T 57.26 1.81 11.57 14.17 107.56 10.59 84.63 -24.89 81.25 1.75 17.00 21.97 23.58 36.28 10.53 5.83 0.03 0.86 0.92 80 S C C 75.33 3.33 10.27 15.15 112.84 86.96 -92.90 135.06 72.98 3.81 23.21 41.32 21.09 11.19 16.45 6.14 0.03 1.95 1.83 81 A C C 74.56 3.92 9.49 15.12 111.41 -120.59 -81.35 133.42 64.07 5.84 30.09 37.74 14.69 12.29 20.39 9.08 0.05 3.49 2.27 82 S C C 78.61 3.35 9.12 14.27 110.75 -117.93 -81.62 131.92 64.80 5.06 30.14 39.48 13.53 12.24 19.93 9.82 0.04 3.11 1.87 83 K C C 156.41 1.86 9.46 12.76 110.26 -114.87 -86.65 122.96 67.97 4.31 27.72 43.79 14.14 10.34 17.95 9.58 0.02 2.51 1.67 84 A C C 82.96 2.86 7.56 12.29 111.70 -124.19 -81.74 134.02 71.61 5.01 23.37 47.92 12.39 11.55 15.05 8.15 0.02 3.03 1.89 85 S C C 92.89 1.48 8.29 11.20 111.95 -134.72 -90.65 123.68 81.55 4.13 14.31 70.81 1.96 9.56 10.06 3.26 0.00 2.50 1.85 86 A C C 82.83 3.45 9.19 14.40 109.60 -125.90 -85.28 128.92 99.85 0.11 0.04 99.78 0.08 0.05 0.02 0.00 0.00 0.05 0.01