# 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 I C C 87.30 9.64 13.78 24.24 114.81 -164.38 -98.14 124.27 99.79 0.19 0.01 99.73 0.10 0.04 0.00 0.00 0.00 0.10 0.02 1 G C C 42.93 5.72 11.67 18.87 122.97 -135.12 122.77 170.64 94.14 5.25 0.62 92.02 0.97 1.58 0.20 0.22 0.00 4.00 1.02 2 I C C 123.37 2.76 10.79 15.18 116.82 -95.45 -98.54 134.06 85.02 12.88 2.09 72.45 8.50 3.44 0.79 1.28 0.00 10.11 3.43 3 R C C 155.14 4.28 9.42 15.87 113.12 -127.63 -85.26 130.79 82.69 14.09 3.22 66.80 10.51 4.60 1.05 2.25 0.00 10.68 4.11 4 L C C 100.87 5.90 9.46 16.99 114.68 -148.57 -94.69 130.04 90.33 7.29 2.39 68.86 17.08 4.12 0.62 1.89 0.00 5.67 1.74 5 T C C 105.88 1.88 13.62 16.27 113.76 -110.62 -86.38 136.01 94.99 3.69 1.31 79.60 12.64 2.65 0.33 1.06 0.00 2.52 1.19 6 L C C 90.65 9.93 10.12 20.93 116.40 -119.42 -82.45 135.27 98.82 1.10 0.08 87.77 10.98 0.16 0.03 0.04 0.00 0.47 0.54 7 P C C 50.70 10.84 10.44 22.49 117.05 -106.81 -67.25 152.08 99.71 0.26 0.03 97.56 2.14 0.07 0.01 0.01 0.00 0.10 0.12 8 P C C 109.48 1.58 16.77 18.11 114.52 -99.30 -68.04 145.43 99.78 0.17 0.05 97.49 2.18 0.14 0.01 0.02 0.00 0.06 0.09 9 P C C 73.33 11.63 9.42 21.41 114.68 -105.22 -66.43 144.92 99.10 0.52 0.39 94.45 3.93 0.75 0.11 0.21 0.00 0.20 0.34 10 K C C 126.25 4.65 12.71 19.17 116.31 -132.43 -93.65 133.50 95.90 3.55 0.55 91.09 4.51 0.58 0.19 0.29 0.00 1.42 1.93 11 V C C 105.87 4.05 12.74 18.59 112.61 -119.33 -79.61 132.93 93.87 4.79 1.34 90.47 2.98 0.83 0.51 0.64 0.00 2.41 2.15 12 V C C 80.43 8.21 10.08 19.52 115.52 -150.88 -97.96 135.44 94.45 2.24 3.31 76.67 13.04 4.68 1.08 2.08 0.00 1.14 1.30 13 D C C 95.34 4.98 12.85 19.14 106.73 -124.17 -87.73 92.03 94.52 1.68 3.80 61.65 24.32 8.42 0.89 2.95 0.00 0.84 0.94 14 R C C 138.85 5.22 14.62 20.99 104.51 124.67 -87.98 40.56 91.69 2.56 5.75 62.87 17.19 11.26 1.61 4.23 0.00 1.20 1.65 15 W C C 75.06 16.00 8.91 24.04 112.02 89.31 -88.47 119.06 93.12 2.75 4.13 69.71 17.02 5.99 1.81 2.17 0.00 0.98 2.33 16 N C C 76.28 3.10 16.12 19.56 124.80 -150.32 -101.27 165.70 96.30 1.40 2.30 74.65 20.40 1.02 1.95 0.40 0.00 0.35 1.24 17 E H H 136.38 3.63 12.62 18.09 91.42 -102.81 -59.10 -37.00 10.78 0.08 89.14 1.38 1.95 7.55 84.48 4.50 0.06 0.04 0.04 18 K H H 139.29 1.86 15.77 17.62 92.08 52.91 -65.40 -39.32 8.82 0.08 91.11 1.12 1.01 6.56 84.88 6.31 0.06 0.05 0.03 19 R H H 84.57 9.67 14.27 24.90 92.52 47.91 -67.86 -38.05 4.64 0.08 95.28 1.04 0.61 2.94 87.15 8.15 0.02 0.06 0.02 20 A H H 24.85 13.87 13.23 27.81 92.47 53.31 -64.21 -40.69 5.47 0.11 94.42 1.35 0.68 3.35 86.28 8.21 0.02 0.08 0.03 21 M H H 94.12 5.65 19.08 25.18 92.44 50.02 -67.18 -36.73 18.98 0.30 80.71 2.38 1.83 14.86 72.87 7.63 0.12 0.18 0.13 22 F H H 98.75 6.51 19.03 25.75 94.38 50.86 -74.03 -31.04 40.65 0.78 58.57 7.04 7.42 27.39 52.59 4.61 0.17 0.31 0.47 23 G H H 16.95 13.33 17.03 30.71 98.77 51.20 -65.40 -47.81 46.76 1.07 52.17 16.85 7.61 22.68 39.26 12.44 0.07 0.51 0.58 24 V H H 51.65 13.20 18.09 31.21 93.45 44.71 -65.20 -39.52 29.49 1.30 69.21 6.68 5.36 17.34 47.97 20.79 0.53 0.75 0.59 25 Y H H 103.76 9.07 19.75 29.14 92.89 50.90 -67.59 -36.62 26.76 1.39 71.85 6.71 4.70 15.22 49.65 21.88 0.43 0.83 0.57 26 D H H 58.45 9.63 19.28 29.33 93.77 50.97 -70.01 -33.87 31.31 1.72 66.97 10.52 6.63 15.01 48.45 17.41 0.29 0.96 0.74 27 N H H 47.45 13.65 18.49 31.99 98.12 42.21 -84.88 -31.57 39.16 3.39 57.45 9.83 8.41 22.03 43.99 10.96 1.28 1.82 1.68 28 I H H 46.37 13.71 17.40 31.23 97.46 49.69 -78.72 -32.64 37.97 8.82 53.21 8.90 10.53 20.27 40.67 7.55 3.40 3.57 5.11 29 G C H 30.28 8.65 18.33 27.44 97.01 54.34 -61.15 -34.93 49.61 4.09 46.30 18.82 9.05 23.18 29.61 14.79 0.36 2.41 1.77 30 I C T 75.69 10.21 17.45 27.87 95.89 50.54 -75.06 -31.65 52.01 3.48 44.51 8.64 10.03 33.01 26.26 17.34 0.86 2.02 1.84 31 L C T 66.16 11.49 15.06 26.90 98.53 45.07 -90.22 -5.18 58.05 4.39 37.56 8.90 12.90 35.86 22.65 13.85 0.84 2.24 2.76 32 G C S 37.34 7.25 15.34 23.53 113.64 -100.08 92.75 -144.69 91.03 2.96 6.01 26.29 40.65 24.45 2.35 3.24 0.01 1.36 1.66 33 N C C 92.36 4.60 16.61 21.84 108.44 -44.78 -96.21 99.85 93.23 2.61 4.16 67.03 16.74 8.78 1.22 3.27 0.00 1.15 1.81 34 F C T 105.78 13.15 11.07 23.71 95.75 -141.79 -57.78 -3.69 63.63 1.58 34.79 16.13 13.50 34.45 3.65 30.68 0.01 0.77 0.82 35 E C T 146.34 1.76 17.49 19.01 95.82 77.04 -81.56 -18.51 64.66 1.38 33.95 13.05 12.72 38.99 4.17 29.63 0.01 0.72 0.71 36 K C C 80.28 9.77 14.30 25.23 116.16 63.71 -105.01 120.74 63.90 3.75 32.35 31.23 19.27 14.33 5.73 25.54 0.02 1.65 2.23 37 H C C 53.10 11.71 17.02 29.81 121.27 -154.61 -98.15 145.68 94.70 0.85 4.46 81.32 12.26 1.21 3.30 0.96 0.00 0.28 0.67 38 P H G 23.43 19.61 14.53 34.02 93.37 -112.98 -60.29 -30.49 25.16 0.67 74.18 9.34 3.59 11.67 29.93 44.84 0.02 0.40 0.21 39 K H G 100.83 10.28 18.25 28.76 91.84 64.52 -66.03 -26.45 17.87 0.59 81.55 3.81 2.39 10.56 32.80 49.88 0.03 0.41 0.12 40 E H G 106.13 5.86 19.44 25.93 92.78 56.64 -74.35 -19.79 16.11 1.00 82.90 4.87 2.72 8.19 33.24 50.04 0.03 0.74 0.16 41 L H H 40.23 16.47 14.89 30.96 97.32 54.07 -87.99 -11.58 34.10 5.90 60.00 17.02 7.16 11.15 29.69 29.37 0.18 3.80 1.63 42 I C C 52.97 16.37 13.61 29.43 108.31 85.93 -86.29 104.78 65.50 15.91 18.59 48.85 10.06 6.11 13.88 5.49 0.09 9.62 5.90 43 R C C 149.19 4.26 18.59 23.95 111.58 112.70 -100.28 100.07 73.93 15.43 10.64 51.65 14.23 7.48 8.95 2.76 0.05 10.26 4.60 44 G C S 29.95 10.10 16.15 26.71 131.09 33.06 138.89 174.95 91.56 7.35 1.09 38.55 50.25 3.58 0.44 0.60 0.00 5.03 1.55 45 P C C 44.29 12.14 14.33 27.32 111.50 -40.67 -68.69 142.30 94.84 2.08 3.08 80.11 11.49 3.16 1.37 1.71 0.00 1.15 1.01 46 I H G 104.24 5.81 17.03 23.97 93.42 -135.12 -63.24 -30.72 33.25 1.21 65.54 7.57 7.22 20.00 9.33 54.70 0.03 0.71 0.45 47 W H G 107.95 9.57 17.30 27.79 91.52 65.06 -68.24 -22.35 28.63 1.13 70.24 4.10 4.56 20.39 10.49 59.33 0.04 0.74 0.35 48 L H G 16.37 20.47 12.58 32.80 95.08 52.85 -85.12 -12.90 22.22 0.93 76.85 5.11 3.54 14.08 11.10 65.29 0.01 0.64 0.24 49 R C T 117.84 9.91 14.82 25.61 109.34 106.26 -66.53 128.73 77.09 1.30 21.60 2.11 3.11 73.16 6.99 12.93 0.03 0.60 1.07 50 G C T 56.51 2.26 18.26 20.41 95.38 20.11 84.02 -0.97 90.17 0.31 9.52 2.13 3.97 85.12 2.05 6.38 0.00 0.17 0.17 51 W C C 73.79 15.30 8.17 22.91 117.78 117.83 -83.90 140.70 96.55 1.88 1.56 77.71 16.53 1.97 0.74 0.79 0.00 0.70 1.56 52 K C C 162.68 1.19 15.33 16.40 117.86 -149.70 -100.10 141.06 88.78 6.39 4.83 64.92 16.36 5.95 2.63 2.08 0.00 1.79 6.26 53 G C T 50.00 2.31 15.86 18.39 119.22 13.06 82.41 -157.72 87.15 0.90 11.95 5.54 38.79 43.91 7.40 3.35 0.02 0.38 0.60 54 N C T 86.09 6.21 16.75 23.69 104.86 -4.56 -84.39 80.66 79.80 1.10 19.10 31.31 14.04 34.65 14.80 4.01 0.01 0.39 0.79 55 E H H 41.96 16.96 15.01 31.85 93.86 135.30 -63.64 -38.66 2.94 0.02 97.04 1.28 0.50 1.14 96.48 0.59 0.00 0.01 0.01 56 L H H 40.76 16.07 17.81 33.61 91.73 52.45 -63.42 -41.23 0.90 0.01 99.10 0.24 0.09 0.46 98.80 0.40 0.00 0.00 0.00 57 Q H H 87.44 4.23 22.62 26.62 91.45 50.56 -64.66 -41.06 0.38 0.00 99.62 0.10 0.03 0.19 99.36 0.31 0.00 0.00 0.00 58 R H H 69.49 9.83 20.86 31.33 91.73 50.29 -64.65 -42.10 0.19 0.00 99.81 0.05 0.01 0.09 99.78 0.07 0.00 0.00 0.00 59 C H H 7.60 20.27 17.31 38.00 91.69 50.09 -63.35 -42.86 0.17 0.00 99.83 0.03 0.01 0.09 99.84 0.03 0.00 0.00 0.00 60 I H H 55.31 9.30 20.96 31.07 91.65 50.26 -63.57 -42.04 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 61 R H H 109.64 4.03 22.29 26.06 91.70 50.57 -64.06 -41.84 0.16 0.00 99.84 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 62 K H H 47.16 13.85 17.86 32.12 92.11 50.02 -65.46 -40.67 0.30 0.00 99.70 0.02 0.01 0.21 99.69 0.06 0.00 0.00 0.00 63 R H H 72.47 15.19 15.84 30.60 91.86 51.98 -63.67 -40.28 0.50 0.00 99.50 0.04 0.02 0.35 99.41 0.17 0.00 0.00 0.00 64 K H H 140.29 2.13 19.41 21.44 92.14 50.32 -66.34 -35.97 2.23 0.00 97.77 0.09 0.09 1.97 97.37 0.49 0.00 0.00 0.00 65 M H H 99.23 4.48 17.50 22.41 94.91 47.95 -73.32 -36.26 6.66 0.02 93.32 0.24 0.35 6.04 92.74 0.62 0.01 0.01 0.01 66 V H H 42.91 12.25 12.53 25.54 99.74 38.70 -95.42 -15.71 25.16 0.33 74.51 3.25 4.45 18.24 72.33 1.27 0.13 0.10 0.23 67 G C T 28.02 8.90 13.44 23.63 112.13 111.02 50.95 -148.11 59.72 0.83 39.45 24.62 6.67 28.55 15.53 23.64 0.01 0.42 0.54 68 S C T 91.80 1.97 14.41 16.98 95.49 -7.62 -79.42 -13.39 59.92 0.37 39.71 6.38 8.89 43.49 12.15 28.56 0.02 0.18 0.34 69 R C T 154.69 2.76 14.57 18.28 102.71 68.70 -85.48 -5.37 58.16 0.79 41.05 11.99 11.57 34.31 12.71 28.42 0.03 0.37 0.60 70 M C C 78.47 11.78 11.00 23.01 106.95 71.91 -85.21 73.00 73.63 4.45 21.92 44.08 18.21 11.20 12.20 9.44 0.02 1.83 3.00 71 F C C 94.02 8.19 12.75 22.14 116.29 -139.02 -95.13 136.72 82.45 3.71 13.84 65.29 11.26 5.41 10.36 3.77 0.00 2.09 1.82 72 A C H 69.86 5.23 13.25 19.90 96.76 -125.79 -65.55 -29.50 51.60 2.00 46.40 29.70 9.48 12.47 31.52 14.95 0.02 1.12 0.76 73 D H H 102.55 2.72 14.41 17.79 96.67 58.30 -76.49 -24.99 47.29 0.99 51.71 16.03 11.35 19.99 36.42 15.14 0.08 0.51 0.49 74 D H H 67.72 7.92 14.72 23.65 100.05 37.79 -90.41 7.06 43.70 0.78 55.51 25.00 4.69 14.16 40.66 14.70 0.01 0.41 0.38 75 L H H 48.63 14.69 12.68 27.51 93.53 101.62 -62.73 -39.93 4.89 0.03 95.08 2.80 0.59 1.43 94.05 1.12 0.00 0.01 0.01 76 H H H 118.27 2.57 19.62 21.94 92.09 52.68 -64.34 -40.87 1.07 0.00 98.93 0.31 0.11 0.54 98.51 0.54 0.00 0.00 0.00 77 N H H 77.21 4.53 20.67 25.47 91.98 49.90 -65.24 -40.35 0.56 0.00 99.43 0.16 0.05 0.29 99.06 0.44 0.00 0.00 0.00 78 L H H 12.07 18.93 15.64 35.12 91.47 51.31 -63.70 -42.41 0.24 0.00 99.76 0.06 0.02 0.11 99.68 0.13 0.00 0.00 0.00 79 N H H 59.45 10.77 20.70 31.70 91.41 51.35 -63.12 -41.61 0.17 0.00 99.83 0.03 0.01 0.09 99.83 0.04 0.00 0.00 0.00 80 K H H 101.95 3.19 23.74 26.17 91.52 50.44 -63.83 -42.09 0.14 0.00 99.86 0.02 0.01 0.08 99.86 0.02 0.00 0.00 0.00 81 R H H 55.86 14.07 21.03 34.96 92.01 49.79 -64.74 -41.70 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 82 I H H 13.94 20.50 19.03 39.36 91.64 50.25 -63.69 -42.13 0.19 0.00 99.81 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 83 R H H 116.19 5.61 24.19 30.03 91.54 51.18 -63.39 -41.26 0.21 0.00 99.79 0.02 0.01 0.13 99.80 0.03 0.00 0.00 0.00 84 Y H H 77.02 7.17 22.88 30.83 91.56 50.79 -63.67 -42.93 0.25 0.00 99.75 0.02 0.01 0.17 99.73 0.07 0.00 0.00 0.00 85 L H H 8.84 20.65 18.68 39.56 91.69 50.25 -63.54 -42.97 0.33 0.00 99.67 0.03 0.02 0.22 99.61 0.11 0.00 0.00 0.00 86 Y H H 58.35 13.71 19.98 33.86 91.59 50.21 -63.89 -41.52 0.51 0.00 99.49 0.07 0.04 0.34 99.35 0.20 0.00 0.00 0.00 87 K H H 108.28 3.30 22.41 25.30 91.89 50.85 -64.52 -42.00 1.09 0.00 98.91 0.11 0.07 0.83 98.42 0.57 0.00 0.00 0.00 88 H H H 55.99 10.25 18.71 29.98 92.48 48.39 -65.89 -41.53 2.93 0.01 97.06 0.23 0.17 2.44 96.26 0.90 0.00 0.00 0.00 89 F H H 37.21 16.85 15.59 32.33 93.40 47.17 -68.96 -37.44 8.20 0.04 91.75 1.06 0.85 6.14 90.67 1.23 0.01 0.01 0.02 90 N H H 72.33 7.29 16.30 24.72 94.37 50.46 -75.31 -22.64 28.82 0.43 70.75 8.52 4.34 16.69 67.93 2.05 0.05 0.17 0.24 91 R H H 133.60 4.15 15.05 20.18 97.22 61.43 -75.83 -22.97 41.61 0.72 57.67 11.91 7.40 23.53 53.36 3.01 0.08 0.30 0.41 92 H C H 105.89 6.33 12.60 20.18 101.58 60.27 -87.47 -7.08 52.40 1.12 46.48 18.35 11.87 23.72 41.53 3.38 0.08 0.43 0.65 93 G C C 37.93 6.71 11.42 19.51 108.26 41.82 59.50 -39.98 68.60 1.18 30.21 26.81 17.37 25.59 21.73 7.27 0.03 0.50 0.70 94 K C C 142.20 2.99 10.65 15.15 101.90 56.40 -80.74 -6.97 74.39 1.64 23.96 33.66 17.18 24.61 14.01 8.87 0.01 0.78 0.87 95 F C C 145.81 3.08 8.84 13.66 105.55 71.43 -88.97 45.56 82.78 1.54 15.68 64.23 3.40 16.30 9.83 4.55 0.00 0.86 0.83 96 R C C 156.36 3.65 10.36 15.88 107.90 131.17 -88.26 93.47 99.87 0.06 0.07 99.67 0.12 0.12 0.04 0.01 0.00 0.03 0.01