# 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 R C C 138.79 5.72 13.20 20.32 111.35 -141.94 -83.79 128.48 99.78 0.04 0.17 99.64 0.11 0.11 0.11 0.01 0.00 0.02 0.01 1 K C C 127.63 4.93 11.34 17.83 106.31 -135.89 -79.03 84.06 54.04 0.56 45.39 45.28 1.56 7.25 42.33 3.04 0.00 0.25 0.29 2 E H H 122.51 3.93 11.89 17.23 103.45 82.73 -78.09 -11.15 40.13 0.47 59.40 23.05 6.23 11.56 54.35 4.35 0.01 0.21 0.23 3 S H H 61.71 4.26 13.40 18.81 102.92 56.00 -76.11 -35.66 29.48 0.38 70.15 17.94 4.22 8.15 64.57 4.76 0.01 0.17 0.18 4 Y H H 104.43 8.34 14.12 23.40 94.32 54.73 -66.62 -36.77 10.56 0.11 89.33 4.45 1.83 4.45 86.52 2.65 0.01 0.05 0.05 5 S H H 39.89 9.66 15.02 25.82 92.84 54.59 -65.14 -39.33 7.93 0.07 92.00 2.76 1.05 4.10 90.62 1.41 0.01 0.03 0.03 6 V H H 67.73 4.84 17.49 23.10 92.42 51.32 -65.13 -41.63 3.50 0.02 96.48 0.79 0.36 2.28 96.02 0.53 0.00 0.01 0.01 7 Y H H 103.84 5.07 18.75 24.46 92.20 50.79 -64.57 -42.40 0.84 0.00 99.15 0.19 0.07 0.47 99.13 0.14 0.00 0.00 0.00 8 V H H 35.77 12.31 16.96 30.20 91.94 49.82 -64.14 -42.69 0.24 0.00 99.76 0.04 0.01 0.14 99.75 0.06 0.00 0.00 0.00 9 Y H H 77.05 11.11 17.50 29.29 91.94 50.53 -64.10 -41.58 0.11 0.00 99.89 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 10 K H H 107.25 3.20 20.78 23.56 91.98 50.42 -64.54 -41.42 0.16 0.00 99.84 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 11 V H H 51.26 6.49 18.43 26.24 91.86 49.22 -64.38 -42.23 0.26 0.00 99.74 0.02 0.01 0.19 99.74 0.04 0.00 0.00 0.00 12 L H H 25.51 14.09 13.85 29.09 91.70 50.46 -64.27 -40.45 0.39 0.00 99.61 0.03 0.02 0.28 99.54 0.12 0.00 0.00 0.00 13 K H H 104.97 6.83 15.30 23.32 92.08 52.98 -64.97 -36.95 1.77 0.00 98.22 0.09 0.07 1.54 97.88 0.41 0.00 0.00 0.00 14 Q H H 129.04 1.43 16.93 17.55 93.19 49.82 -69.34 -36.92 4.67 0.00 95.32 0.14 0.20 4.29 94.98 0.39 0.00 0.00 0.00 15 V H H 79.81 5.40 14.32 20.82 98.40 38.19 -84.88 -33.71 8.43 0.03 91.55 0.36 1.06 6.78 91.54 0.21 0.02 0.00 0.02 16 H C C 68.01 9.06 10.08 20.69 111.70 24.06 -132.39 69.98 99.17 0.21 0.62 61.93 36.22 0.94 0.53 0.10 0.00 0.05 0.23 17 P C T 92.60 4.43 11.00 17.83 94.66 165.83 -63.17 -25.90 85.43 0.23 14.34 14.45 6.56 64.07 2.87 11.77 0.00 0.12 0.15 18 D C T 130.18 0.60 14.11 13.15 95.52 54.08 -83.88 1.84 82.02 0.20 17.77 6.70 9.07 65.73 4.36 13.87 0.00 0.11 0.17 19 T C S 60.34 8.60 10.55 20.41 100.22 86.95 -90.57 -3.26 82.20 0.61 17.18 29.79 31.76 21.12 5.77 10.72 0.00 0.22 0.62 20 G C C 42.37 3.87 16.22 21.01 102.52 -123.62 77.69 4.49 86.70 1.06 12.24 47.72 25.25 13.84 9.19 2.85 0.00 0.37 0.79 21 I C C 64.53 11.22 12.65 24.61 100.16 117.61 -79.86 -6.84 58.27 1.14 40.59 43.52 8.49 5.52 39.42 2.01 0.00 0.37 0.66 22 S H H 55.35 7.12 15.05 23.35 95.05 84.95 -66.38 -43.64 18.93 0.20 80.86 12.46 2.85 4.11 78.87 1.53 0.00 0.08 0.09 23 S H H 79.37 1.80 17.60 18.88 93.13 46.26 -66.90 -39.18 4.11 0.03 95.85 1.41 0.65 1.97 94.78 1.16 0.00 0.01 0.01 24 K H H 126.20 2.39 18.08 20.36 92.59 49.09 -66.86 -40.40 2.21 0.02 97.77 0.70 0.28 1.13 96.97 0.90 0.00 0.01 0.01 25 A H H 22.05 12.17 13.92 27.48 92.38 50.44 -64.90 -41.66 1.44 0.01 98.55 0.43 0.15 0.73 98.17 0.51 0.00 0.00 0.00 26 M H H 76.41 8.16 16.70 25.97 91.96 51.58 -63.51 -41.12 0.67 0.00 99.33 0.17 0.06 0.33 99.25 0.19 0.00 0.00 0.00 27 G H H 38.45 2.37 19.25 20.94 91.68 51.19 -63.75 -41.88 0.74 0.00 99.26 0.13 0.04 0.44 99.23 0.15 0.00 0.00 0.00 28 I H H 84.82 4.08 19.02 23.45 92.00 48.90 -65.06 -41.91 0.57 0.00 99.43 0.09 0.04 0.34 99.41 0.12 0.00 0.00 0.00 29 M H H 55.86 11.62 15.99 28.46 92.02 50.14 -64.43 -41.59 0.50 0.00 99.50 0.09 0.03 0.28 99.48 0.11 0.00 0.00 0.00 30 N H H 78.58 5.65 18.14 24.62 91.83 51.02 -63.87 -40.26 0.79 0.00 99.21 0.12 0.05 0.48 99.21 0.14 0.00 0.00 0.00 31 S H H 62.28 2.16 19.50 20.66 91.94 50.68 -65.02 -41.20 1.15 0.00 98.85 0.13 0.06 0.80 98.83 0.18 0.00 0.00 0.00 32 F H H 90.65 6.12 18.23 25.24 92.15 49.40 -65.08 -41.77 1.10 0.00 98.90 0.15 0.07 0.73 98.85 0.19 0.00 0.00 0.00 33 V H H 44.45 10.77 16.02 27.93 91.94 50.16 -64.29 -41.98 0.74 0.00 99.26 0.15 0.06 0.42 99.26 0.11 0.00 0.00 0.00 34 N H H 82.81 3.52 18.85 22.63 91.90 50.83 -64.14 -40.79 0.81 0.00 99.18 0.15 0.05 0.48 99.21 0.11 0.00 0.00 0.00 35 D H H 78.40 2.47 19.45 21.26 92.02 50.14 -65.06 -41.01 0.87 0.00 99.13 0.13 0.05 0.55 99.15 0.11 0.00 0.00 0.00 36 I H H 55.38 8.95 17.14 27.35 91.96 50.08 -64.53 -42.45 0.45 0.00 99.55 0.06 0.03 0.28 99.55 0.09 0.00 0.00 0.00 37 F H H 79.74 9.99 16.72 27.49 91.74 50.51 -63.84 -41.33 0.27 0.00 99.73 0.04 0.01 0.16 99.71 0.08 0.00 0.00 0.00 38 E H H 117.11 2.29 19.75 21.58 91.80 50.34 -64.63 -40.99 0.37 0.00 99.63 0.04 0.02 0.23 99.60 0.11 0.00 0.00 0.00 39 R H H 129.03 3.18 19.65 22.76 92.06 49.21 -65.38 -41.34 0.85 0.00 99.15 0.08 0.05 0.61 99.09 0.18 0.00 0.00 0.00 40 I H H 44.37 12.27 16.61 29.70 92.35 47.94 -65.79 -41.62 1.88 0.01 98.11 0.25 0.15 1.26 98.09 0.24 0.00 0.00 0.00 41 A H H 45.13 7.26 17.81 26.23 91.74 51.12 -63.43 -41.19 3.96 0.02 96.03 0.67 0.34 2.55 95.96 0.46 0.00 0.01 0.01 42 G H H 37.46 2.42 20.52 22.08 92.08 50.44 -64.12 -42.38 8.96 0.04 91.00 1.43 0.83 6.21 90.65 0.84 0.01 0.02 0.02 43 E H H 84.90 5.97 19.85 26.43 92.30 49.10 -65.92 -40.70 5.61 0.03 94.36 1.44 0.71 3.19 93.52 1.11 0.01 0.01 0.01 44 A H H 25.99 12.92 15.32 29.22 92.10 52.20 -63.83 -40.61 3.60 0.03 96.37 1.11 0.41 1.86 94.81 1.78 0.00 0.01 0.01 45 S H H 58.64 4.05 19.34 23.75 91.89 51.61 -64.38 -39.74 4.43 0.04 95.53 1.07 0.44 2.71 92.87 2.87 0.01 0.02 0.01 46 R H H 135.70 2.18 19.85 21.23 92.31 50.25 -65.98 -39.92 5.84 0.07 94.09 1.13 0.64 3.96 90.79 3.39 0.02 0.04 0.02 47 L H H 52.62 8.49 15.27 25.40 92.79 50.03 -66.69 -38.89 7.69 0.15 92.15 1.83 1.00 4.81 87.79 4.40 0.03 0.10 0.04 48 A H H 39.60 8.62 12.92 23.16 92.97 55.16 -65.75 -35.29 18.11 0.36 81.54 3.85 1.93 12.17 75.65 6.00 0.05 0.22 0.13 49 H H H 132.20 2.05 14.89 17.10 95.30 53.40 -72.74 -25.35 31.79 0.56 67.66 5.77 3.43 22.57 61.62 5.96 0.09 0.31 0.25 50 Y H H 150.14 2.77 12.60 16.33 99.55 53.32 -80.95 -24.84 43.90 1.16 54.95 11.28 9.50 24.74 48.24 4.93 0.16 0.52 0.63 51 N C T 88.83 5.45 10.35 17.31 106.52 44.92 -97.99 63.96 66.32 1.06 32.63 21.97 13.03 31.44 28.35 4.14 0.03 0.43 0.61 52 K C T 161.58 1.90 11.62 14.82 98.16 -135.97 -36.74 6.63 77.35 0.73 21.91 20.53 18.49 38.88 14.88 6.39 0.01 0.29 0.52 53 R C C 156.39 3.08 11.42 15.93 107.96 89.20 -92.20 91.61 79.97 1.19 18.84 30.69 20.36 29.65 9.84 8.15 0.01 0.51 0.80 54 S C C 71.11 5.61 11.38 18.54 109.07 -155.35 -90.11 81.42 85.11 2.54 12.36 42.73 24.22 18.81 4.69 7.12 0.00 1.34 1.08 55 T C C 91.00 4.32 15.00 20.61 115.34 74.96 -102.09 126.66 83.39 8.96 7.66 54.99 18.22 10.48 3.53 4.17 0.01 6.07 2.54 56 I C C 41.02 16.65 9.88 26.13 118.39 89.27 -102.66 131.26 87.73 10.76 1.51 74.02 12.78 0.77 1.30 0.44 0.00 6.01 4.69 57 T C C 65.59 3.47 20.36 23.48 122.97 -139.47 -87.84 162.97 94.35 4.56 1.10 93.43 1.29 0.28 0.93 0.14 0.00 2.69 1.23 58 S H H 58.72 10.95 13.07 24.66 91.82 -106.22 -59.08 -38.78 2.36 0.01 97.63 0.62 0.39 1.12 97.47 0.39 0.00 0.00 0.00 59 R H H 156.17 1.96 18.34 20.21 91.77 53.57 -64.08 -39.76 0.80 0.00 99.19 0.12 0.07 0.49 99.02 0.30 0.00 0.00 0.00 60 E H H 81.30 7.85 18.46 27.06 91.79 49.38 -66.02 -40.62 0.31 0.00 99.68 0.06 0.03 0.17 99.44 0.30 0.00 0.00 0.00 61 I H H 17.66 19.78 15.47 35.21 91.94 50.03 -64.03 -43.09 0.14 0.00 99.86 0.03 0.01 0.07 99.81 0.08 0.00 0.00 0.00 62 Q H H 68.80 11.20 20.12 31.46 91.27 50.72 -62.82 -41.54 0.18 0.00 99.82 0.02 0.01 0.11 99.80 0.06 0.00 0.00 0.00 63 T H H 62.92 3.91 23.14 26.76 91.75 49.58 -64.65 -41.75 0.37 0.00 99.63 0.03 0.01 0.27 99.58 0.10 0.00 0.00 0.00 64 A H H 19.11 13.41 19.62 33.90 91.78 50.92 -64.13 -41.93 0.56 0.00 99.44 0.05 0.02 0.42 99.21 0.30 0.00 0.00 0.00 65 V H H 15.54 20.16 17.87 37.70 91.80 50.09 -64.26 -41.16 0.87 0.00 99.13 0.06 0.05 0.69 98.02 1.18 0.00 0.00 0.00 66 R H H 114.08 9.30 20.35 29.91 91.29 53.76 -64.31 -34.51 2.93 0.01 97.07 0.16 0.14 2.52 94.39 2.77 0.00 0.00 0.00 67 L H H 91.23 6.04 20.91 27.20 92.13 53.95 -70.37 -29.56 13.04 0.01 86.94 0.34 0.47 12.48 84.41 2.27 0.01 0.00 0.01 68 L H H 51.97 14.22 17.42 31.46 96.26 46.56 -87.57 -22.49 27.01 0.08 72.91 1.32 2.82 22.76 71.51 1.45 0.05 0.02 0.06 69 L C S 35.05 17.43 12.22 29.38 114.66 68.40 -106.17 119.13 97.97 0.32 1.71 19.62 76.40 1.79 1.67 0.17 0.00 0.08 0.27 70 P C C 81.19 4.83 16.29 22.20 113.27 -130.16 -68.47 144.98 88.85 0.39 10.75 61.53 12.00 14.87 8.48 2.64 0.00 0.16 0.31 71 G H H 44.16 3.10 16.83 20.41 119.83 20.94 78.58 -154.86 44.33 0.53 55.14 12.01 16.15 17.79 46.57 6.86 0.07 0.19 0.37 72 E H H 129.84 2.99 16.87 20.38 94.02 -23.85 -66.45 -34.95 15.20 0.24 84.56 4.35 2.92 8.21 74.17 10.06 0.06 0.13 0.10 73 L H H 55.75 10.95 14.72 26.69 92.10 54.78 -64.78 -39.08 8.23 0.25 91.52 3.20 1.26 3.89 81.04 10.36 0.02 0.18 0.06 74 A H H 23.44 14.10 13.68 28.54 92.14 53.71 -64.48 -39.14 5.96 0.20 93.83 2.51 0.85 2.60 83.60 10.23 0.01 0.16 0.04 75 K H H 126.89 3.35 19.98 23.72 92.57 51.89 -66.61 -37.15 10.29 0.39 89.32 3.01 1.47 5.85 79.48 9.77 0.03 0.30 0.09 76 H H H 91.68 5.83 18.65 25.15 95.19 50.33 -73.56 -30.47 17.63 0.87 81.50 5.68 2.80 9.73 72.58 8.28 0.08 0.62 0.24 77 A H H 26.79 14.53 14.24 29.13 95.43 65.97 -66.87 -39.22 24.58 2.88 72.54 13.84 4.71 7.95 65.31 5.47 0.08 1.94 0.71 78 V H H 71.02 9.38 16.80 26.60 95.14 50.50 -69.36 -36.19 29.00 4.56 66.44 16.35 5.10 9.32 59.12 5.66 0.11 3.33 1.02 79 S H H 66.81 3.92 17.32 21.62 97.08 56.10 -73.68 -31.70 38.32 3.36 58.32 17.63 7.59 14.75 50.70 5.99 0.14 2.17 1.01 80 E C T 111.83 5.68 16.23 22.69 98.17 44.59 -76.22 -21.68 60.24 0.87 38.90 9.96 10.76 38.37 34.55 5.43 0.07 0.41 0.45 81 G C T 32.65 10.26 15.10 25.66 100.15 32.10 -17.67 -28.30 70.65 0.71 28.64 17.22 13.37 39.77 24.14 4.80 0.02 0.32 0.36 82 T C H 61.55 9.89 15.12 25.62 97.51 65.42 -73.72 -29.77 53.86 2.33 43.82 37.42 8.76 7.65 39.51 4.63 0.01 1.31 0.70 83 K H H 115.69 4.83 18.50 23.93 95.97 68.64 -68.43 -32.70 39.11 4.73 56.15 27.72 6.41 6.51 49.95 5.05 0.03 3.37 0.96 84 A H H 40.08 9.39 15.48 26.05 94.65 59.97 -66.94 -36.90 27.94 5.81 66.25 20.75 4.27 4.89 58.74 5.63 0.03 4.91 0.79 85 V H H 56.34 11.42 14.47 26.41 94.32 54.47 -69.36 -36.73 21.41 6.07 72.53 16.01 3.30 4.06 64.63 5.74 0.03 5.54 0.68 86 T H H 73.17 5.55 15.51 22.10 94.78 56.60 -70.79 -35.96 22.31 4.80 72.88 15.89 3.43 4.81 64.97 5.93 0.03 4.32 0.62 87 K H H 126.17 3.46 15.25 19.50 95.56 54.71 -71.76 -30.08 26.84 3.57 69.59 16.49 4.62 7.55 61.99 5.82 0.05 2.82 0.65 88 Y H H 115.21 8.09 11.04 20.14 99.76 57.06 -82.46 -18.96 33.81 2.59 63.60 19.17 6.13 10.26 57.45 4.59 0.05 1.64 0.70 89 T H H 85.91 5.13 10.65 17.31 103.62 58.76 -87.80 -0.47 45.62 2.17 52.21 25.02 7.73 13.60 48.71 3.01 0.04 1.15 0.74 90 S C C 84.23 2.45 10.12 13.98 103.93 65.31 -84.23 22.40 69.27 1.04 29.68 47.23 2.53 17.71 29.69 1.84 0.00 0.50 0.50 91 A C C 79.78 3.55 11.45 16.56 103.92 83.59 -84.11 15.56 99.88 0.04 0.09 99.66 0.11 0.15 0.06 0.00 0.00 0.02 0.01