# 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 E C C 132.84 3.03 14.51 18.76 115.86 -116.97 -85.74 139.29 99.95 0.04 0.01 99.49 0.45 0.04 0.00 0.00 0.00 0.02 0.01 1 P C C 96.18 4.38 12.29 18.43 111.42 -102.31 -69.33 144.23 99.12 0.42 0.47 91.15 1.48 6.61 0.09 0.30 0.00 0.22 0.15 2 Y C C 91.65 13.63 8.67 21.93 115.30 -113.04 -85.34 133.89 95.13 3.99 0.88 79.34 8.50 7.09 0.17 0.86 0.00 2.47 1.58 3 T C C 97.73 2.72 18.38 21.75 118.15 -153.39 -104.38 130.36 87.38 12.15 0.47 79.38 7.28 0.70 0.16 0.31 0.00 5.53 6.63 4 V C C 49.36 17.68 11.80 28.86 116.30 -142.98 -94.36 128.55 97.02 2.93 0.05 90.88 6.29 0.14 0.02 0.03 0.00 1.99 0.65 5 P C C 33.26 13.80 13.40 28.30 116.17 -111.27 -66.54 151.17 99.35 0.57 0.08 95.92 3.31 0.24 0.02 0.03 0.00 0.25 0.21 6 H C C 115.16 3.78 20.16 24.02 109.47 -109.70 -78.27 124.33 99.07 0.67 0.26 97.76 1.14 0.23 0.08 0.08 0.00 0.18 0.52 7 A H G 36.70 17.02 9.59 26.12 92.46 -142.02 -63.23 -23.30 48.28 0.51 51.21 10.95 5.50 29.59 3.26 50.20 0.00 0.30 0.19 8 S H G 86.60 2.15 15.56 18.62 90.72 68.66 -69.34 -17.96 48.03 0.45 51.52 5.78 5.84 34.01 3.35 50.56 0.00 0.25 0.19 9 T H G 84.87 3.84 15.50 20.24 96.34 54.82 -86.16 -16.29 44.59 1.32 54.09 9.99 10.30 23.77 3.05 51.70 0.00 0.76 0.41 10 Y C C 56.03 17.00 10.18 26.38 120.10 63.20 -109.16 132.98 82.56 6.05 11.38 58.10 18.72 5.61 2.72 8.99 0.01 3.66 2.20 11 K C C 130.49 3.84 19.48 24.45 118.30 -166.48 -112.22 126.01 85.74 12.73 1.53 81.97 2.78 1.05 0.58 0.80 0.00 8.50 4.31 12 V C C 30.16 18.84 10.17 28.21 111.16 -165.52 -103.97 108.69 82.32 15.90 1.78 78.97 2.08 1.23 0.74 0.90 0.00 11.22 4.88 13 E C T 123.95 3.69 15.22 20.36 113.52 -157.91 -80.45 137.90 93.22 5.56 1.21 37.18 9.63 46.98 0.33 0.76 0.00 4.19 0.93 14 S C T 95.39 1.24 16.48 17.11 95.73 6.72 45.01 24.24 98.00 1.24 0.76 16.90 25.01 56.24 0.11 0.67 0.00 0.80 0.27 15 V C C 27.87 15.63 7.99 23.55 112.06 121.42 -108.08 108.79 99.04 0.46 0.50 79.90 18.63 0.42 0.40 0.11 0.00 0.14 0.40 16 P H H 90.76 2.21 17.28 19.50 93.58 -151.19 -60.78 -37.31 21.52 0.11 78.37 1.84 1.90 16.78 59.25 20.08 0.05 0.05 0.06 17 Q H H 89.40 7.27 17.01 25.18 92.01 52.65 -66.78 -33.27 18.06 0.09 81.85 0.98 1.14 15.26 63.24 19.23 0.06 0.05 0.05 18 L H H 13.90 20.28 12.32 32.38 94.19 48.49 -72.93 -34.35 9.75 0.19 90.06 2.19 0.93 6.09 70.10 20.49 0.02 0.14 0.04 19 V H H 67.13 6.75 18.32 26.08 92.06 57.41 -62.31 -41.85 2.05 0.03 97.92 0.91 0.28 0.83 97.08 0.88 0.00 0.01 0.01 20 E H H 109.71 2.24 22.39 23.34 91.74 49.61 -64.92 -41.33 0.72 0.01 99.27 0.22 0.07 0.35 99.14 0.22 0.00 0.00 0.00 21 V H H 21.53 15.32 18.10 34.07 91.97 49.08 -64.72 -42.69 0.33 0.00 99.66 0.07 0.03 0.17 99.60 0.13 0.00 0.00 0.00 22 K H H 51.73 16.04 17.64 33.30 91.81 51.64 -62.95 -41.77 0.18 0.00 99.82 0.03 0.01 0.10 99.81 0.06 0.00 0.00 0.00 23 E H H 107.89 2.43 23.07 24.40 91.68 49.90 -64.15 -41.28 0.26 0.00 99.74 0.03 0.01 0.16 99.74 0.06 0.00 0.00 0.00 24 A H H 37.46 5.44 19.55 26.12 91.69 50.22 -64.09 -41.45 0.59 0.00 99.41 0.05 0.03 0.41 99.38 0.12 0.00 0.00 0.00 25 L H H 14.98 15.96 13.06 30.19 91.76 50.66 -64.61 -40.91 1.62 0.01 98.37 0.16 0.13 1.17 97.98 0.57 0.00 0.00 0.00 26 G H H 32.96 7.64 14.50 23.43 92.15 53.08 -63.82 -39.17 4.98 0.02 95.01 0.43 0.25 3.99 91.82 3.49 0.01 0.01 0.00 27 R H H 183.59 0.85 16.36 15.95 91.02 53.75 -66.65 -29.06 16.00 0.05 83.94 0.60 0.78 15.04 80.14 3.34 0.04 0.02 0.03 28 Q C T 105.78 4.72 12.94 19.12 93.66 50.64 -89.69 0.21 73.59 0.09 26.31 0.81 2.87 69.45 23.98 2.73 0.01 0.03 0.11 29 G C T 57.31 1.61 16.72 17.84 96.67 -106.98 83.34 12.05 99.39 0.03 0.58 3.52 2.77 93.29 0.24 0.15 0.00 0.02 0.01 30 L C C 47.57 15.09 9.20 24.05 112.28 137.22 -92.53 122.13 98.68 0.43 0.90 93.94 2.84 2.00 0.29 0.43 0.00 0.17 0.33 31 K C C 140.84 3.95 17.78 22.73 102.23 158.63 -98.44 -1.83 98.93 0.50 0.57 83.71 12.74 2.37 0.20 0.33 0.00 0.17 0.48 32 D C C 42.25 12.30 13.74 27.18 108.93 114.20 -98.08 106.47 99.50 0.31 0.19 85.80 13.31 0.32 0.12 0.06 0.00 0.08 0.32 33 P H H 68.15 8.01 17.19 26.89 92.32 -162.70 -63.16 -28.93 31.48 0.14 68.38 3.51 3.28 22.76 35.42 34.83 0.04 0.07 0.09 34 W H G 99.43 10.53 18.51 29.45 92.31 61.85 -65.83 -37.03 21.39 0.12 78.49 1.19 1.49 17.09 37.31 42.74 0.06 0.06 0.06 35 L H G 28.88 16.86 16.87 33.67 92.84 50.14 -68.18 -36.28 15.05 0.18 84.77 1.54 1.63 10.40 41.04 45.19 0.04 0.10 0.08 36 R H H 73.33 14.28 18.83 32.86 91.87 55.40 -69.03 -30.40 19.82 0.54 79.64 3.92 2.90 11.69 42.30 38.58 0.08 0.28 0.26 37 N C T 54.22 11.95 20.33 32.58 95.92 53.88 -86.79 -10.97 54.03 2.07 43.90 12.34 9.95 30.84 20.31 24.11 0.19 1.03 1.22 38 E C C 45.43 13.56 19.44 33.52 100.27 73.93 -89.65 29.15 66.88 10.32 22.81 44.64 8.40 12.03 11.67 11.05 0.01 3.22 8.97 39 V H G 28.18 17.87 17.15 35.08 93.10 125.44 -62.36 -37.02 17.16 1.08 81.76 6.40 2.74 8.26 14.75 66.85 0.02 0.69 0.29 40 W H G 90.54 12.36 18.91 31.74 90.73 58.69 -68.84 -22.66 15.96 0.74 83.29 2.97 2.24 10.49 14.26 69.34 0.02 0.48 0.20 41 R H G 94.03 10.52 18.95 29.84 94.19 57.66 -80.92 -16.02 17.70 1.10 81.20 4.42 2.86 10.30 12.40 68.99 0.02 0.71 0.31 42 Y C C 70.81 14.23 14.81 29.14 101.68 61.43 -92.08 5.33 67.90 4.23 27.87 36.94 22.18 9.53 11.48 15.05 0.06 1.62 3.13 43 E C C 69.66 10.20 14.12 25.51 110.28 91.57 -100.87 107.22 96.23 1.51 2.25 74.06 19.58 2.33 1.36 0.84 0.00 0.52 1.32 44 P C C 77.52 7.94 12.63 22.03 95.84 -161.74 -65.70 -22.02 64.23 0.91 34.86 28.08 10.32 26.48 15.62 18.37 0.01 0.40 0.71 45 K C T 153.51 1.77 14.66 16.54 94.98 62.08 -71.80 -22.97 56.09 0.60 43.31 11.13 9.78 34.45 17.94 25.88 0.03 0.27 0.51 46 A C T 57.65 7.04 12.30 20.49 100.64 53.76 -79.02 -22.96 53.42 0.95 45.63 12.44 10.73 30.05 18.76 26.83 0.05 0.43 0.71 47 F C T 95.58 9.69 10.68 21.02 105.46 42.33 -99.55 12.90 61.63 1.68 36.69 23.86 14.29 24.84 17.31 17.69 0.06 0.70 1.25 48 G C C 41.76 4.91 13.73 19.92 112.94 -119.32 68.84 -163.64 88.94 1.31 9.76 44.11 29.85 15.42 5.55 3.57 0.00 0.46 1.04 49 T C C 76.86 3.32 14.51 18.53 116.56 -17.76 -100.09 152.62 89.82 1.45 8.73 53.26 30.77 5.59 6.94 1.86 0.00 0.45 1.12 50 H H H 120.40 5.91 12.09 19.57 94.47 -115.92 -63.61 -36.69 18.54 0.33 81.13 6.78 5.85 8.24 75.58 3.17 0.07 0.13 0.18 51 R H H 153.41 2.21 14.96 17.47 93.55 54.27 -67.12 -37.85 12.44 0.16 87.40 3.04 2.10 7.71 83.47 3.45 0.08 0.09 0.07 52 S H H 47.36 5.12 14.29 20.86 94.31 49.86 -67.82 -38.59 9.82 0.25 89.93 3.76 1.61 5.13 85.11 4.10 0.05 0.15 0.09 53 R H H 84.00 9.41 13.51 24.08 92.93 52.27 -65.21 -41.29 6.22 0.18 93.60 2.37 1.10 3.23 90.21 2.87 0.04 0.10 0.06 54 L H H 75.69 5.71 15.65 22.44 92.09 50.71 -64.75 -40.99 5.96 0.17 93.86 1.79 0.95 3.62 90.47 2.94 0.07 0.10 0.06 55 N H H 81.75 3.76 17.12 21.23 92.63 49.53 -66.05 -40.19 7.80 0.18 92.02 1.60 1.08 5.53 88.16 3.33 0.14 0.09 0.07 56 T H H 56.18 7.78 15.50 24.44 93.98 47.86 -68.36 -40.02 12.01 0.14 87.84 1.08 1.31 10.12 83.85 3.24 0.24 0.06 0.08 57 F H H 85.36 9.46 15.69 25.77 97.36 39.55 -77.04 -39.26 28.01 0.24 71.76 1.00 2.56 25.23 67.04 3.40 0.49 0.09 0.19 58 L C T 88.08 5.93 16.82 23.22 97.19 39.40 -78.33 -37.82 51.55 0.44 48.02 1.54 4.50 44.51 44.44 4.06 0.42 0.17 0.37 59 F H H 113.70 4.37 17.46 22.08 97.76 38.35 -83.65 -33.17 46.15 0.80 53.05 3.89 6.35 35.32 45.06 7.74 0.61 0.36 0.66 60 R C T 109.94 7.43 17.29 25.31 96.32 56.05 -70.17 -33.15 55.24 0.48 44.28 2.80 4.52 46.45 38.31 7.07 0.22 0.23 0.41 61 G H H 20.84 13.11 15.87 29.15 97.06 39.66 -71.32 -22.24 44.93 0.22 54.85 3.55 3.60 37.33 49.10 6.03 0.11 0.10 0.18 62 L H H 71.35 10.24 17.36 28.01 92.98 72.75 -63.83 -41.06 8.68 0.05 91.27 2.23 1.59 5.04 89.40 1.67 0.02 0.02 0.03 63 G H H 39.36 3.92 21.06 24.70 92.81 49.86 -64.72 -41.60 5.62 0.03 94.35 1.06 0.63 3.85 93.24 1.19 0.01 0.01 0.01 64 V H H 69.65 6.17 20.76 27.26 92.49 47.72 -66.92 -41.00 2.72 0.02 97.26 0.47 0.26 1.87 96.58 0.80 0.00 0.01 0.00 65 G H H 11.89 15.94 16.55 33.01 92.08 52.15 -63.81 -42.47 0.70 0.00 99.30 0.12 0.05 0.41 99.27 0.15 0.00 0.00 0.00 66 F H H 94.09 7.68 21.00 28.99 91.90 49.98 -63.74 -42.38 0.10 0.00 99.90 0.01 0.01 0.06 99.90 0.03 0.00 0.00 0.00 67 C H H 68.55 2.84 22.60 24.48 91.47 49.92 -63.94 -42.07 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 68 A H H 35.44 9.61 19.69 30.06 91.80 50.05 -64.43 -42.19 0.02 0.00 99.98 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 69 F H H 57.08 14.80 18.81 33.47 91.81 50.41 -63.62 -42.43 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.01 0.00 0.00 0.00 70 L H H 88.02 4.41 22.22 26.71 91.59 50.05 -63.91 -42.07 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 71 A H H 57.20 3.26 22.37 25.08 91.61 49.79 -64.04 -42.15 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 72 T H H 31.34 12.94 18.55 32.14 91.66 49.56 -64.42 -42.40 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 73 V H H 47.26 11.29 18.61 30.45 91.66 50.01 -63.47 -42.25 0.06 0.00 99.94 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 74 A H H 57.58 2.47 20.79 22.35 91.31 50.25 -63.45 -42.71 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 75 V H H 67.39 4.28 18.90 23.62 91.84 48.87 -64.54 -42.26 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 76 E H H 40.45 12.36 13.44 27.01 91.78 50.06 -64.18 -41.54 0.21 0.00 99.79 0.01 0.01 0.15 99.74 0.08 0.00 0.00 0.00 77 Y H H 128.65 4.92 14.88 21.00 91.76 49.23 -65.19 -39.99 0.78 0.00 99.22 0.03 0.03 0.65 99.03 0.26 0.00 0.00 0.00 78 A H H 83.24 1.32 14.61 15.52 91.65 51.08 -66.67 -31.71 5.14 0.01 94.85 0.12 0.17 4.83 94.47 0.39 0.00 0.00 0.00 79 L H H 104.77 3.33 12.21 16.67 94.84 48.52 -88.52 -6.17 49.53 0.15 50.32 1.26 3.19 43.80 50.42 1.12 0.05 0.04 0.11 80 G C T 53.34 2.95 11.61 15.59 98.59 -114.34 75.87 18.24 94.54 0.42 5.04 16.23 8.36 69.97 4.05 0.97 0.00 0.18 0.22 81 I C C 97.43 5.34 8.44 15.67 107.66 143.39 -88.13 78.44 94.20 1.39 4.41 56.59 17.79 20.19 1.86 2.10 0.00 0.63 0.84 82 G C C 56.05 2.48 11.34 15.11 109.24 -36.39 82.51 80.03 97.81 0.59 1.60 78.19 4.19 15.68 0.54 0.78 0.00 0.33 0.28 83 K C C 143.05 3.62 11.37 16.83 108.83 105.70 -89.20 107.94 99.92 0.06 0.02 99.75 0.14 0.07 0.01 0.00 0.00 0.02 0.01