# 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 P C C 78.61 6.07 12.17 19.83 114.09 -110.13 -71.52 151.89 99.95 0.03 0.02 99.68 0.21 0.08 0.01 0.00 0.00 0.01 0.01 1 S C C 87.06 2.38 10.94 14.84 111.72 -110.56 -79.13 138.06 94.87 1.12 4.01 89.65 1.62 4.26 1.21 2.01 0.00 0.47 0.78 2 R C C 160.34 4.04 9.14 15.03 112.88 -129.94 -87.94 129.51 89.04 2.70 8.26 63.05 17.00 8.57 2.09 6.32 0.00 1.29 1.69 3 K C C 127.52 4.60 11.10 17.42 114.97 -132.53 -87.39 139.09 87.72 3.60 8.68 64.88 15.26 7.21 2.26 6.69 0.00 1.98 1.72 4 A C C 71.12 5.92 13.14 20.50 109.85 -122.15 -79.07 128.98 87.79 5.94 6.27 67.80 14.21 5.69 1.90 4.40 0.00 3.55 2.45 5 K C C 103.66 7.90 15.70 24.68 124.05 -129.61 -107.89 144.82 81.24 16.20 2.56 67.70 10.19 1.81 1.45 1.17 0.00 6.64 11.04 6 V C C 24.59 16.41 12.32 29.31 112.71 -112.71 -77.16 135.05 86.04 12.96 0.99 79.42 5.20 0.63 0.67 0.31 0.00 5.26 8.51 7 K C T 106.92 5.91 18.42 25.67 92.54 -128.74 -61.66 -34.46 55.77 0.70 43.53 3.35 6.76 45.09 17.76 25.96 0.13 0.37 0.57 8 A C T 34.31 13.54 15.09 29.13 92.64 57.45 -69.85 -27.34 57.56 0.36 42.09 1.67 4.78 51.07 14.89 27.01 0.06 0.20 0.33 9 T C T 38.40 13.05 13.46 27.21 100.15 39.69 -100.58 -4.89 56.00 1.64 42.37 3.86 6.43 44.22 15.26 27.97 0.17 0.92 1.18 10 L C T 92.80 7.83 13.42 22.35 104.26 114.84 -64.38 100.77 66.08 2.85 31.06 5.70 8.80 49.42 17.30 14.68 0.31 1.34 2.45 11 G C T 58.79 2.15 15.26 17.82 98.02 -1.74 81.10 -0.30 76.47 0.61 22.91 4.24 8.60 63.09 10.54 12.64 0.02 0.33 0.55 12 E C T 119.50 4.59 15.43 21.10 102.35 92.49 -94.76 8.01 75.04 2.16 22.80 19.82 13.92 41.68 9.15 13.04 0.04 1.04 1.31 13 F C C 48.17 18.40 9.13 25.97 119.51 74.57 -107.57 133.62 71.65 7.75 20.61 47.15 13.15 10.54 10.05 10.74 0.03 3.55 4.77 14 D C C 100.47 3.48 18.49 22.66 110.88 -156.95 -96.40 118.21 76.35 4.41 19.24 48.70 14.71 12.83 7.88 11.44 0.01 2.49 1.94 15 L C C 80.00 11.54 14.34 25.98 110.46 -86.35 -85.26 118.15 72.83 6.32 20.84 39.79 19.05 14.45 8.40 12.03 0.04 3.15 3.07 16 R C C 102.56 11.42 14.59 26.21 106.56 -163.49 -92.75 57.62 80.39 4.28 15.33 54.19 16.69 9.23 7.05 8.31 0.01 2.15 2.38 17 D C C 65.70 8.02 18.19 26.96 109.29 80.50 -97.09 102.44 87.01 2.08 10.91 72.00 7.70 6.99 3.48 7.51 0.00 1.03 1.30 18 Y C T 52.58 19.45 12.52 31.02 95.05 94.99 -74.27 -12.11 81.14 0.57 18.28 12.95 8.52 58.93 3.78 15.14 0.00 0.28 0.39 19 R C T 142.05 5.82 18.28 25.01 94.16 67.09 -80.93 -9.47 80.69 0.53 18.78 9.75 11.24 59.11 3.71 15.54 0.01 0.27 0.36 20 N C C 66.50 7.83 16.29 25.53 106.65 87.03 -97.29 98.72 90.23 2.16 7.61 72.60 14.24 2.92 3.60 4.01 0.00 0.71 1.91 21 V H H 52.88 15.18 13.04 28.36 93.77 -174.63 -64.88 -33.94 5.54 0.03 94.43 1.64 0.98 2.99 90.15 4.20 0.00 0.01 0.01 22 E H H 124.76 2.02 20.04 21.47 91.60 57.81 -63.84 -39.95 2.26 0.01 97.73 0.23 0.20 1.75 92.62 5.18 0.00 0.00 0.00 23 V H H 30.20 11.23 17.50 30.25 92.05 49.93 -65.35 -41.40 1.17 0.01 98.82 0.12 0.09 0.89 93.66 5.23 0.00 0.00 0.00 24 L H H 5.13 25.08 13.33 38.61 91.16 51.95 -63.73 -40.46 1.03 0.00 98.96 0.10 0.08 0.75 93.57 5.50 0.00 0.00 0.00 25 K H H 107.73 9.56 19.90 29.88 90.87 55.53 -63.84 -33.38 5.20 0.02 94.78 0.27 0.24 4.29 71.08 24.10 0.01 0.01 0.01 26 R H H 139.57 3.61 23.50 27.27 91.40 56.12 -70.30 -27.74 21.39 0.03 78.57 0.42 0.73 20.24 54.00 24.53 0.03 0.01 0.03 27 F H H 18.63 20.35 16.25 36.99 96.45 47.70 -96.53 -8.61 38.42 0.17 61.41 1.53 2.56 32.56 42.27 20.80 0.06 0.08 0.13 28 L E B 25.47 19.88 13.35 33.10 120.83 90.80 -90.07 140.99 7.59 92.13 0.27 3.80 0.95 0.03 0.23 0.02 0.00 6.18 88.78 29 S C C 32.91 8.85 14.58 25.26 123.10 -130.93 -79.46 171.63 97.46 2.42 0.12 97.57 0.36 0.14 0.04 0.03 0.00 1.24 0.62 30 E C T 164.89 1.24 14.57 16.21 90.22 -90.36 -63.87 -22.81 99.16 0.41 0.43 0.39 3.55 95.38 0.03 0.30 0.00 0.25 0.09 31 T C T 96.34 2.03 16.98 18.71 93.19 54.50 -88.05 -1.80 99.45 0.11 0.44 0.20 3.29 96.03 0.01 0.39 0.00 0.05 0.03 32 G C S 16.01 16.20 12.86 29.19 95.92 -107.25 82.91 9.17 99.53 0.30 0.18 10.31 88.45 0.88 0.02 0.11 0.00 0.11 0.12 33 K C C 98.06 5.31 22.19 28.40 121.44 134.97 -89.68 147.34 95.45 4.48 0.06 75.90 19.69 0.19 0.03 0.03 0.00 2.01 2.15 34 I E B 23.55 21.73 14.78 36.49 113.25 -113.37 -82.03 130.50 10.48 89.43 0.09 6.68 0.93 0.02 0.10 0.01 0.00 9.55 82.72 35 L C C 34.88 13.64 17.92 32.69 114.59 -123.16 -77.74 137.49 95.56 4.36 0.08 94.56 1.64 0.07 0.05 0.02 0.00 3.06 0.59 36 P C C 48.09 8.24 20.33 29.61 113.17 -108.42 -67.01 146.16 95.14 2.37 2.49 92.62 2.04 0.57 2.27 0.26 0.00 1.01 1.23 37 R H H 94.99 15.19 12.42 27.24 92.25 -116.44 -59.33 -33.58 16.76 0.23 83.00 3.09 3.10 10.37 66.86 16.23 0.11 0.10 0.14 38 R H H 176.71 1.53 17.26 18.71 91.41 60.31 -67.02 -28.45 15.29 0.30 84.41 2.31 2.33 10.06 65.85 18.96 0.18 0.17 0.14 39 R H H 133.49 5.44 16.54 22.96 94.90 50.40 -79.43 -27.16 16.02 0.47 83.50 2.72 3.23 10.18 65.95 17.14 0.29 0.24 0.23 40 T H H 27.91 17.23 12.00 28.73 100.29 46.01 -94.96 -10.75 30.68 0.80 68.52 7.26 9.60 16.83 61.13 4.03 0.27 0.29 0.59 41 G C C 49.92 3.28 21.45 24.76 95.57 -119.56 79.23 11.32 98.18 0.92 0.90 47.59 24.52 26.28 0.33 0.46 0.00 0.46 0.36 42 L C C 24.39 19.55 9.42 28.32 122.16 132.43 -86.26 150.09 94.25 5.25 0.50 71.36 21.21 0.76 0.34 0.16 0.00 1.47 4.71 43 S C C 52.20 3.59 19.66 23.15 120.87 -111.48 -75.85 163.36 98.37 1.33 0.30 96.98 1.39 0.19 0.20 0.05 0.00 0.38 0.82 44 G H H 45.46 5.89 14.86 22.33 91.46 -100.78 -57.90 -39.43 3.34 0.01 96.65 0.71 0.77 1.60 96.51 0.40 0.00 0.00 0.00 45 K H H 140.34 1.51 19.90 20.37 91.49 52.11 -64.35 -40.49 1.13 0.00 98.86 0.13 0.10 0.79 98.62 0.36 0.00 0.00 0.00 46 E H H 49.50 12.90 17.13 30.59 92.15 48.15 -66.38 -40.29 0.42 0.00 99.58 0.07 0.03 0.25 99.33 0.31 0.00 0.00 0.00 47 Q H H 31.64 18.23 15.59 33.54 91.53 52.80 -62.34 -42.25 0.10 0.00 99.90 0.01 0.01 0.05 99.87 0.05 0.00 0.00 0.00 48 R H H 132.73 3.07 23.36 26.16 91.50 50.44 -63.70 -41.25 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 49 I H H 70.50 6.68 23.10 30.08 91.56 49.02 -64.57 -42.57 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 50 L H H 9.35 22.88 18.29 41.16 91.99 49.67 -64.36 -42.50 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 51 A H H 26.26 13.50 21.56 35.28 91.58 51.20 -63.00 -42.40 0.10 0.00 99.90 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 52 K H H 110.38 2.69 26.00 27.67 91.69 49.58 -64.21 -42.08 0.11 0.00 99.89 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 53 T H H 22.94 13.43 21.48 35.65 91.85 49.13 -64.43 -42.67 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 54 I H H 10.70 22.70 18.71 41.08 91.86 49.87 -63.83 -43.05 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 55 K H H 97.65 6.95 23.56 30.86 91.44 50.65 -62.99 -41.96 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 56 R H H 111.87 3.92 23.51 27.18 91.66 49.34 -64.37 -41.79 0.18 0.00 99.82 0.01 0.01 0.12 99.82 0.04 0.00 0.00 0.00 57 A H H 8.66 16.36 15.52 33.25 91.52 50.82 -63.75 -42.23 0.25 0.00 99.75 0.03 0.01 0.15 99.72 0.09 0.00 0.00 0.00 58 R H H 87.98 12.01 16.66 28.84 91.95 51.16 -64.14 -41.02 0.50 0.00 99.50 0.04 0.02 0.37 99.37 0.20 0.00 0.00 0.00 59 I H H 114.13 2.48 17.70 20.38 91.71 49.81 -66.41 -36.02 1.53 0.00 98.47 0.06 0.06 1.37 98.26 0.24 0.00 0.00 0.00 60 L H H 92.03 5.09 14.81 21.20 93.45 51.50 -83.59 -7.31 28.50 0.03 71.46 0.25 0.60 29.10 69.19 0.80 0.02 0.01 0.03 61 G C T 48.55 4.85 15.69 21.61 95.84 -102.00 81.06 9.16 85.74 0.02 14.24 0.41 1.40 83.24 14.45 0.47 0.00 0.01 0.02 62 L C T 75.87 8.45 14.78 24.40 97.25 112.92 -87.04 -17.75 90.29 0.52 9.19 8.00 28.72 52.61 8.84 1.18 0.00 0.18 0.48 63 L C S 46.92 14.26 10.86 25.21 119.08 56.99 -110.28 130.20 87.61 1.63 10.76 35.15 45.56 7.28 5.66 4.51 0.00 0.58 1.27 64 P C C 82.57 4.49 15.01 20.70 102.37 -144.51 -69.19 22.65 83.15 0.92 15.93 47.42 16.67 19.00 6.88 9.06 0.00 0.44 0.52 65 F C C 130.98 5.35 12.41 19.27 105.32 58.41 -87.87 35.80 73.64 3.70 22.67 44.69 13.25 15.73 11.88 10.70 0.01 1.84 1.91 66 T C C 75.47 7.16 10.27 18.88 113.50 117.74 -98.68 127.73 68.02 3.79 28.19 50.97 9.49 7.41 18.81 9.67 0.01 2.17 1.46 67 E C C 130.11 3.52 10.82 16.16 112.68 -154.46 -97.18 123.72 60.72 3.05 36.23 37.72 12.25 10.86 24.35 12.00 0.02 1.82 0.98 68 K C C 139.88 3.17 10.40 15.41 115.90 -143.42 -96.12 131.67 59.23 3.46 37.31 38.22 9.80 11.24 25.55 11.97 0.03 2.20 0.98 69 L C C 104.96 5.15 8.35 15.38 115.00 -149.73 -95.86 129.54 60.67 5.30 34.03 43.00 9.10 8.61 24.70 9.63 0.03 3.60 1.34 70 V C C 103.72 3.58 7.93 13.46 115.00 -157.93 -100.53 126.58 65.78 7.79 26.44 49.56 7.63 8.08 21.42 5.74 0.03 5.65 1.91 71 R C C 166.23 2.47 7.95 12.38 115.13 -155.66 -99.52 129.96 80.22 4.22 15.56 71.74 1.83 6.86 12.85 2.54 0.00 2.98 1.21 72 K C C 156.19 2.16 10.75 14.54 111.61 -134.24 -87.78 125.28 99.77 0.12 0.11 99.51 0.15 0.17 0.07 0.01 0.00 0.07 0.01