# 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 A C C 60.42 7.96 11.52 20.57 116.86 -158.55 -91.09 143.60 99.93 0.05 0.02 99.86 0.07 0.03 0.01 0.00 0.00 0.02 0.01 1 D C C 103.98 3.23 10.70 15.51 110.11 -132.06 -87.65 124.02 86.80 2.26 10.93 83.06 1.18 4.72 4.29 4.44 0.00 1.24 1.07 2 Q C C 123.87 4.00 9.34 15.03 106.04 97.93 -85.97 63.30 75.34 3.59 21.07 45.97 13.42 16.24 4.98 15.83 0.00 2.06 1.49 3 E C C 127.94 4.00 10.13 15.75 106.61 106.77 -85.45 81.14 76.80 2.80 20.40 42.49 15.56 19.15 4.12 15.98 0.00 1.55 1.16 4 N C C 117.38 2.94 11.79 16.15 105.84 76.16 -92.00 34.99 82.59 2.19 15.22 46.20 21.84 14.60 3.11 12.04 0.00 1.09 1.12 5 S C C 52.16 8.27 10.32 20.04 119.14 133.81 -102.10 137.38 96.35 2.38 1.28 52.30 42.73 1.67 0.55 0.61 0.00 1.00 1.15 6 P C C 86.53 4.82 16.28 22.04 108.66 -111.97 -70.40 139.87 93.97 3.13 2.90 71.75 16.18 5.93 0.92 2.03 0.00 1.85 1.34 7 L C C 58.16 15.93 11.41 26.79 115.89 -127.49 -92.06 129.11 88.52 7.99 3.49 72.31 11.31 4.28 1.25 2.36 0.00 4.80 3.69 8 H C C 113.79 6.05 18.71 26.04 120.84 -165.92 -113.75 135.80 83.47 13.81 2.72 72.10 8.04 2.27 1.26 1.51 0.00 7.94 6.88 9 T C C 48.82 14.79 12.76 27.35 120.95 -160.96 -108.43 144.07 77.86 19.21 2.92 61.01 12.27 3.22 1.33 1.72 0.00 9.08 11.37 10 V C T 76.25 9.25 15.65 25.61 109.17 -106.47 -74.63 130.66 87.44 7.57 4.99 20.06 22.69 45.12 1.07 3.68 0.02 4.42 2.93 11 G C T 45.47 5.60 17.59 23.95 100.96 -8.74 84.73 -4.53 93.88 2.47 3.65 14.83 27.82 51.28 0.52 3.20 0.00 1.56 0.79 12 F C C 90.94 9.97 13.69 24.63 123.36 70.21 -115.37 144.21 81.47 14.98 3.55 44.53 25.16 11.94 0.78 2.92 0.01 6.26 8.41 13 D C C 52.87 10.38 13.13 24.88 109.78 -129.41 -93.53 118.98 85.22 13.46 1.32 73.53 8.18 2.43 0.51 0.85 0.00 6.34 8.16 14 A C T 67.81 6.64 13.72 21.72 93.75 -156.89 -67.34 -23.51 95.59 1.60 2.80 7.13 25.49 62.99 0.44 2.28 0.00 0.92 0.73 15 R C T 155.76 3.01 15.36 18.93 93.71 63.14 -75.17 -22.90 96.00 1.34 2.66 4.40 32.19 59.64 0.33 2.10 0.00 0.75 0.58 16 F C S 74.31 8.72 10.93 21.27 108.30 30.08 -129.32 66.60 91.53 6.65 1.82 40.22 46.76 4.28 0.55 1.26 0.00 2.46 4.46 17 P C T 73.40 8.41 11.51 21.45 94.98 166.86 -62.23 -26.09 91.44 1.79 6.77 15.86 10.38 65.30 1.66 4.98 0.00 1.01 0.81 18 Q C T 137.66 2.18 15.39 17.96 95.72 49.79 -89.95 3.57 87.44 1.80 10.77 10.69 13.17 63.33 3.30 7.51 0.03 1.00 0.98 19 Q C S 85.46 7.22 14.88 23.47 120.98 86.77 -99.38 143.39 81.22 4.61 14.16 24.98 33.63 23.54 5.68 7.38 0.05 1.98 2.76 20 N C C 79.68 10.59 16.78 27.72 103.95 -113.00 -74.22 98.19 82.87 5.49 11.65 46.57 13.88 22.81 6.61 4.57 0.01 2.44 3.11 21 Q C C 42.53 14.98 17.43 32.86 100.46 164.29 -98.41 6.81 70.32 4.80 24.88 58.40 5.78 4.99 23.78 2.31 0.00 1.81 2.92 22 T H H 31.14 17.60 17.61 34.68 93.96 108.60 -61.10 -42.75 27.95 0.57 71.48 20.55 3.81 4.15 70.02 1.04 0.00 0.20 0.23 23 K H H 111.75 5.95 23.65 30.11 91.85 51.94 -64.24 -40.54 3.29 0.03 96.68 1.02 0.47 1.65 96.36 0.47 0.00 0.01 0.01 24 H H H 75.04 9.16 23.64 32.98 91.97 50.15 -65.22 -40.96 1.00 0.01 98.99 0.24 0.10 0.54 98.79 0.33 0.00 0.00 0.00 25 C H H 6.63 22.12 19.22 41.18 92.24 50.20 -64.56 -43.14 0.64 0.00 99.35 0.13 0.05 0.36 99.20 0.26 0.00 0.00 0.00 26 W H H 51.78 16.63 23.02 38.93 91.59 49.71 -63.98 -42.39 0.27 0.00 99.73 0.04 0.01 0.15 99.73 0.07 0.00 0.00 0.00 27 Q H H 81.48 6.70 26.70 33.90 91.68 50.59 -63.82 -42.11 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 28 S H H 14.86 16.03 22.78 38.92 91.94 50.17 -64.60 -42.02 0.16 0.00 99.84 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 29 Y H H 21.85 20.66 22.70 42.54 91.77 50.05 -64.47 -42.75 0.18 0.00 99.82 0.01 0.01 0.14 99.82 0.02 0.00 0.00 0.00 30 V H H 37.08 11.45 24.85 36.80 91.53 49.46 -64.44 -42.68 0.12 0.00 99.88 0.00 0.00 0.08 99.90 0.01 0.00 0.00 0.00 31 D H H 48.47 8.86 25.42 35.00 91.71 50.44 -64.00 -42.03 0.17 0.00 99.83 0.01 0.00 0.12 99.85 0.02 0.00 0.00 0.00 32 Y H H 22.20 19.31 21.51 40.36 92.05 49.97 -64.22 -42.78 0.13 0.00 99.87 0.00 0.00 0.10 99.87 0.02 0.00 0.00 0.00 33 H H H 42.01 14.15 22.49 36.57 91.78 50.01 -63.88 -42.19 0.07 0.00 99.93 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 34 K H H 90.93 4.87 24.44 29.42 91.81 50.17 -63.91 -42.02 0.13 0.00 99.87 0.00 0.00 0.09 99.86 0.03 0.00 0.00 0.00 35 C H H 13.90 11.80 17.34 31.30 91.56 49.93 -63.83 -42.40 0.45 0.00 99.55 0.03 0.02 0.32 99.56 0.07 0.00 0.00 0.00 36 V H H 26.31 12.96 14.82 29.08 91.92 49.52 -64.13 -42.60 0.81 0.00 99.18 0.06 0.07 0.59 99.16 0.11 0.00 0.00 0.00 37 N H H 105.64 2.72 16.99 20.32 93.07 46.47 -67.56 -39.76 2.79 0.01 97.21 0.14 0.19 2.40 96.99 0.28 0.01 0.00 0.00 38 M H H 123.98 2.37 15.04 17.95 95.35 41.48 -74.55 -36.66 12.84 0.02 87.14 0.31 0.85 11.90 86.31 0.58 0.03 0.01 0.02 39 K H H 119.78 3.85 12.94 18.00 98.94 28.77 -102.24 -7.01 26.79 0.09 73.12 1.25 4.08 20.97 72.90 0.65 0.05 0.02 0.07 40 G C C 57.85 1.46 14.21 15.99 95.39 -120.71 75.13 17.76 97.78 0.21 2.01 51.24 21.37 25.08 0.44 1.64 0.00 0.09 0.15 41 E C C 86.37 8.60 10.33 20.32 121.19 136.03 -85.79 149.54 96.64 0.56 2.80 51.93 27.52 16.77 0.40 2.75 0.00 0.24 0.39 42 D C C 115.14 1.91 16.99 19.10 107.76 -116.89 -84.40 112.12 97.80 0.29 1.91 76.21 10.17 11.17 0.30 1.82 0.00 0.15 0.18 43 F C C 64.73 14.29 10.19 24.36 109.11 167.83 -95.19 95.35 94.19 0.44 5.37 82.31 10.56 1.15 4.77 0.62 0.00 0.09 0.51 44 A H H 71.06 2.04 19.99 21.12 93.17 -88.80 -60.78 -42.41 4.37 0.01 95.62 0.91 0.72 2.36 95.03 0.96 0.00 0.00 0.00 45 P H H 49.63 8.47 18.12 27.86 91.86 49.32 -65.00 -37.87 2.73 0.00 97.27 0.32 0.22 1.92 96.18 1.36 0.00 0.00 0.00 46 C H H 7.39 20.78 13.65 34.79 91.68 51.37 -64.25 -41.10 0.86 0.00 99.14 0.14 0.07 0.51 98.16 1.12 0.00 0.00 0.00 47 K H H 100.59 6.52 21.92 28.95 91.59 52.26 -63.20 -40.85 0.23 0.00 99.77 0.04 0.01 0.11 99.64 0.18 0.00 0.00 0.00 48 V H H 66.90 4.87 23.13 27.98 91.54 50.51 -63.72 -42.76 0.17 0.00 99.83 0.02 0.01 0.11 99.79 0.07 0.00 0.00 0.00 49 F H H 18.11 19.69 19.19 38.75 91.66 49.66 -63.91 -43.26 0.13 0.00 99.87 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 50 W H H 58.80 17.55 19.99 36.61 91.53 51.05 -62.43 -42.28 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 51 K H H 114.47 3.13 24.77 27.38 91.75 50.39 -64.32 -41.34 0.09 0.00 99.91 0.00 0.00 0.07 99.89 0.03 0.00 0.00 0.00 52 T H H 32.05 11.01 20.97 32.90 91.98 49.32 -64.56 -42.79 0.20 0.00 99.80 0.01 0.01 0.16 99.74 0.08 0.00 0.00 0.00 53 Y H H 11.53 23.41 16.66 39.96 92.36 48.88 -65.56 -42.02 0.45 0.00 99.55 0.02 0.02 0.37 99.32 0.27 0.00 0.00 0.00 54 N H H 71.05 12.00 19.14 31.02 91.37 53.52 -65.98 -31.39 2.75 0.00 97.25 0.10 0.12 2.56 95.76 1.46 0.00 0.00 0.00 55 A H H 71.79 3.41 22.35 25.39 91.88 57.22 -72.45 -22.99 15.00 0.00 84.99 0.19 0.39 15.33 82.58 1.51 0.01 0.00 0.00 56 L H H 47.85 14.59 17.55 32.21 99.73 39.29 -97.19 -19.19 29.36 0.02 70.62 0.55 2.13 26.59 69.42 1.25 0.02 0.01 0.02 57 C C S 11.60 21.44 12.02 33.20 129.84 49.47 -124.87 146.92 99.51 0.40 0.08 9.51 89.95 0.22 0.04 0.01 0.00 0.09 0.18 58 P C C 55.02 5.76 18.68 25.63 112.83 -101.11 -64.18 144.81 98.75 0.98 0.27 98.39 0.45 0.13 0.17 0.03 0.00 0.25 0.59 59 L H H 106.88 5.94 13.75 21.52 91.90 -117.15 -57.92 -37.43 2.49 0.00 97.51 0.33 0.29 1.73 95.84 1.80 0.00 0.00 0.00 60 D H H 102.40 1.47 19.09 19.35 91.30 55.98 -64.28 -37.51 1.13 0.00 98.87 0.07 0.06 0.95 96.76 2.17 0.00 0.00 0.00 61 W H H 46.51 13.14 15.59 29.78 92.05 50.06 -66.16 -40.59 0.47 0.00 99.53 0.04 0.03 0.35 97.46 2.12 0.00 0.00 0.00 62 I H H 24.69 16.25 14.25 31.02 91.76 51.60 -63.34 -42.61 0.39 0.00 99.61 0.04 0.02 0.29 98.88 0.76 0.00 0.00 0.00 63 E H H 111.98 1.93 21.53 22.00 91.41 50.73 -63.62 -41.71 1.12 0.00 98.88 0.05 0.04 1.04 98.31 0.56 0.00 0.00 0.00 64 K H H 99.89 4.05 20.38 24.56 91.76 49.75 -64.69 -41.73 1.55 0.00 98.44 0.07 0.08 1.42 98.02 0.41 0.00 0.00 0.00 65 W H H 22.90 18.09 14.58 33.17 91.93 49.72 -64.28 -42.53 0.92 0.00 99.08 0.12 0.07 0.65 98.82 0.34 0.00 0.00 0.00 66 D H H 59.87 6.69 18.38 26.29 91.55 50.85 -63.44 -41.41 0.49 0.00 99.51 0.09 0.03 0.27 99.44 0.17 0.00 0.00 0.00 67 D H H 79.15 1.66 19.45 19.42 91.75 49.85 -64.16 -41.01 0.40 0.00 99.60 0.04 0.02 0.26 99.52 0.16 0.00 0.00 0.00 68 Q H H 46.25 8.22 13.97 24.34 91.99 50.25 -65.10 -40.88 0.45 0.00 99.55 0.05 0.03 0.29 99.33 0.31 0.00 0.00 0.00 69 R H H 86.76 11.25 11.84 23.73 91.98 51.39 -64.12 -41.13 0.73 0.00 99.27 0.07 0.04 0.52 98.73 0.63 0.00 0.00 0.00 70 E H H 150.18 1.02 14.72 15.15 91.18 51.17 -65.32 -32.81 3.97 0.00 96.03 0.10 0.12 3.80 95.37 0.60 0.00 0.00 0.00 71 K C T 141.75 1.42 13.49 14.64 92.91 50.29 -86.18 -3.12 62.02 0.02 37.96 0.31 0.94 60.94 36.93 0.85 0.01 0.00 0.02 72 G C T 51.97 3.66 12.37 17.85 95.32 -113.61 77.02 15.01 99.60 0.03 0.37 1.80 3.29 94.65 0.16 0.08 0.00 0.01 0.01 73 I C C 93.61 5.32 15.05 21.67 100.33 125.79 -94.18 -7.39 97.79 1.59 0.62 53.20 41.84 2.85 0.21 0.37 0.00 0.60 0.93 74 F C C 50.54 17.06 10.24 26.65 117.61 80.17 -108.08 125.62 94.84 4.13 1.03 49.31 41.50 4.02 0.29 0.71 0.00 1.72 2.46 75 A C C 61.99 5.99 18.06 24.91 103.36 -155.41 -76.70 38.36 93.65 3.33 3.03 57.91 20.99 14.37 0.47 3.03 0.00 2.07 1.16 76 G C C 32.94 9.30 14.89 24.80 129.64 37.70 -144.30 172.55 89.59 6.07 4.34 41.11 30.92 17.65 0.52 4.24 0.00 3.73 1.82 77 D C C 97.18 4.37 17.32 22.86 113.88 -97.23 -97.73 125.29 88.87 7.37 3.76 76.05 7.88 4.55 0.73 3.36 0.00 4.85 2.57 78 I C C 67.20 15.53 10.04 24.80 103.27 -162.48 -88.97 10.99 88.57 6.97 4.46 63.88 14.35 9.95 1.07 3.66 0.00 4.65 2.44 79 N C C 113.05 2.97 13.44 17.78 105.44 96.03 -89.43 57.05 91.79 4.50 3.71 63.38 14.87 13.29 0.83 3.09 0.00 3.12 1.41 80 S C C 64.66 6.72 8.56 16.78 112.76 143.43 -94.14 129.72 95.30 2.30 2.40 88.27 2.10 5.35 0.60 1.40 0.00 1.49 0.80 81 D C C 119.15 1.94 13.06 16.03 104.43 -143.80 -88.13 44.01 99.93 0.05 0.02 99.76 0.12 0.08 0.00 0.00 0.00 0.03 0.01