# 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 M C C 123.55 4.07 10.25 15.84 114.23 -160.69 -94.05 128.16 99.88 0.10 0.02 99.79 0.10 0.03 0.01 0.00 0.00 0.04 0.01 1 M C C 124.70 2.86 8.22 12.87 115.64 -137.44 -92.28 137.01 87.94 0.66 11.39 85.10 0.87 3.25 8.79 1.36 0.00 0.29 0.34 2 P C C 97.91 2.65 8.44 12.70 108.61 -116.14 -73.81 136.89 71.03 1.01 27.96 52.25 7.80 10.53 22.65 5.77 0.00 0.47 0.53 3 Q C C 125.14 2.50 9.26 13.19 104.77 -110.91 -79.97 34.09 57.28 1.04 41.68 38.20 9.01 10.36 34.36 7.11 0.00 0.48 0.48 4 Q H H 112.94 3.04 9.79 14.25 103.61 60.78 -80.75 5.31 47.11 1.05 51.83 34.59 5.92 7.41 44.82 6.29 0.00 0.51 0.45 5 L H H 99.73 3.23 9.48 14.27 96.50 82.70 -68.83 -35.78 28.65 0.69 70.67 19.05 4.50 6.87 62.96 5.98 0.01 0.37 0.27 6 Y H H 140.65 2.39 10.64 14.15 93.84 58.48 -66.58 -36.13 19.62 0.62 79.77 10.33 3.21 7.25 72.05 6.55 0.02 0.36 0.22 7 K H H 124.86 1.84 11.44 13.95 93.57 54.63 -66.99 -38.22 13.77 0.57 85.67 6.31 2.34 6.02 77.83 6.92 0.03 0.37 0.18 8 I H H 97.45 2.42 11.15 14.60 93.17 51.22 -66.41 -39.98 6.39 0.22 93.38 2.24 1.06 3.30 84.88 8.27 0.02 0.16 0.05 9 W H H 141.68 3.37 10.47 15.40 93.36 50.96 -68.14 -36.06 5.24 0.13 94.63 1.47 0.69 2.96 83.88 10.86 0.01 0.09 0.03 10 L H H 109.52 2.29 11.28 14.58 93.73 53.52 -70.88 -32.20 11.17 0.14 88.69 1.69 1.13 7.85 77.42 11.75 0.04 0.08 0.05 11 A H H 80.34 1.46 12.27 13.75 95.84 47.74 -76.74 -28.59 23.42 0.19 76.40 2.55 2.65 18.22 69.31 6.98 0.09 0.09 0.11 12 F H H 117.86 4.28 10.37 16.24 110.58 49.89 -101.53 99.93 48.88 1.11 50.01 11.55 21.22 18.15 45.14 2.52 0.21 0.30 0.91 13 D C C 74.16 4.35 11.44 17.58 107.92 -129.90 -89.30 108.50 95.36 0.21 4.43 90.43 3.78 0.94 4.42 0.26 0.00 0.07 0.11 14 P H H 80.87 4.38 11.23 17.69 93.64 -162.85 -62.85 -33.49 13.27 0.08 86.65 4.63 1.52 7.14 81.69 4.92 0.01 0.04 0.04 15 R H H 150.45 1.76 13.75 15.77 92.25 54.65 -65.15 -39.57 6.79 0.06 93.15 1.29 0.71 4.65 88.25 5.03 0.02 0.03 0.02 16 M H H 102.59 2.39 13.95 16.85 92.58 48.90 -66.39 -39.69 4.58 0.07 95.36 1.24 0.53 2.67 89.44 6.06 0.01 0.04 0.02 17 A H H 49.82 3.91 12.55 18.19 92.15 51.20 -64.50 -41.24 4.35 0.06 95.59 1.51 0.56 2.23 93.46 2.18 0.01 0.03 0.02 18 L H H 95.81 2.33 14.45 17.21 92.18 50.04 -65.15 -41.19 1.85 0.01 98.14 0.66 0.20 0.84 97.88 0.41 0.00 0.01 0.00 19 I H H 101.26 1.64 15.25 16.39 91.83 49.45 -64.68 -41.86 0.67 0.00 99.32 0.18 0.05 0.33 99.26 0.18 0.00 0.00 0.00 20 G H H 36.03 2.42 14.44 17.44 91.91 50.10 -63.82 -41.41 0.60 0.00 99.40 0.12 0.04 0.34 99.34 0.17 0.00 0.00 0.00 21 L H H 91.62 2.59 14.55 17.74 91.89 49.64 -65.03 -40.74 0.44 0.00 99.56 0.07 0.02 0.27 99.54 0.11 0.00 0.00 0.00 22 G H H 38.01 2.46 14.58 17.59 91.95 51.12 -63.93 -40.82 0.53 0.00 99.47 0.08 0.03 0.33 99.48 0.09 0.00 0.00 0.00 23 A H H 64.36 1.59 15.20 16.21 91.93 50.66 -64.80 -41.01 0.34 0.00 99.66 0.04 0.02 0.22 99.67 0.05 0.00 0.00 0.00 24 F H H 121.95 1.83 14.79 16.46 92.17 49.80 -65.29 -40.82 0.23 0.00 99.77 0.03 0.01 0.14 99.79 0.04 0.00 0.00 0.00 25 L H H 92.48 2.66 14.11 17.52 92.00 50.92 -64.23 -41.36 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 26 F H H 126.04 1.82 14.99 16.70 91.88 50.21 -64.60 -40.93 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 27 A H H 62.56 1.61 15.63 16.54 91.90 50.16 -64.22 -41.72 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 28 L H H 90.24 2.20 15.37 17.61 92.03 49.53 -64.73 -41.41 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 29 A H H 49.93 3.77 13.64 18.95 91.54 51.14 -63.17 -41.40 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 30 L H H 96.49 1.95 15.62 17.34 91.60 50.46 -64.66 -41.04 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 31 F H H 122.15 1.54 15.91 16.61 91.94 50.10 -64.60 -41.48 0.09 0.00 99.91 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 32 I H H 87.69 3.02 14.68 18.42 92.17 49.29 -64.43 -42.30 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 33 H H H 94.72 4.40 13.65 19.40 91.78 50.73 -63.91 -41.06 0.16 0.00 99.84 0.01 0.01 0.12 99.80 0.07 0.00 0.00 0.00 34 Y H H 139.51 1.58 15.16 16.27 91.84 50.20 -64.84 -41.06 0.23 0.00 99.77 0.01 0.01 0.19 99.63 0.17 0.00 0.00 0.00 35 M H H 109.11 1.66 14.80 16.11 92.10 49.62 -65.21 -41.06 0.51 0.00 99.48 0.02 0.02 0.44 99.02 0.50 0.00 0.00 0.00 36 L H H 77.42 5.04 12.00 18.72 92.46 48.97 -66.53 -37.50 2.72 0.00 97.28 0.10 0.11 2.53 95.87 1.38 0.00 0.00 0.00 37 L H H 100.67 3.90 11.73 17.18 92.30 55.34 -70.55 -23.86 20.76 0.04 79.20 0.71 0.87 19.42 77.05 1.88 0.03 0.02 0.03 38 S C T 88.48 1.08 12.95 13.65 95.09 54.70 -87.90 -4.52 64.04 0.28 35.67 4.33 5.25 52.21 35.27 2.58 0.04 0.10 0.21 39 S C S 47.62 6.21 7.47 15.84 117.56 101.56 -82.39 142.73 97.05 1.25 1.70 32.61 62.50 1.87 1.19 0.43 0.00 0.35 1.06 40 P C T 124.01 0.83 12.21 12.61 97.08 -125.49 -68.97 -11.94 80.32 0.51 19.17 10.87 14.06 55.50 4.05 14.86 0.00 0.26 0.39 41 G C T 53.79 2.35 11.47 14.97 98.33 58.76 -80.11 -3.31 79.60 0.75 19.66 13.31 11.43 54.93 4.56 14.88 0.00 0.39 0.49 42 F C C 93.88 8.66 8.34 18.06 107.95 85.02 -88.04 97.37 71.37 3.95 24.68 43.44 14.60 13.35 7.22 17.08 0.02 1.77 2.53 43 D C C 83.83 4.25 12.64 18.33 106.86 136.71 -97.73 76.75 80.78 3.16 16.07 64.71 7.60 8.30 6.96 8.95 0.00 1.62 1.86 44 W C T 154.45 5.04 10.73 17.50 94.73 160.66 -71.32 -20.06 65.76 1.56 32.67 15.28 12.30 38.90 7.20 24.49 0.03 0.77 1.01 45 L C T 117.04 2.75 11.37 15.35 96.31 58.88 -85.92 -8.80 66.53 3.09 30.38 15.81 13.14 38.44 6.69 22.57 0.07 1.62 1.66 46 L C C 115.83 2.92 10.56 15.08 104.69 81.40 -87.62 21.46 72.21 4.22 23.57 32.51 21.75 18.60 5.00 17.70 0.02 1.85 2.57 47 G C C 37.64 4.59 10.12 16.41 126.62 -128.42 91.11 174.58 96.10 1.87 2.03 58.55 32.73 4.67 0.60 1.44 0.00 0.78 1.23 48 P C C 112.35 2.08 10.79 13.89 101.56 -66.67 -69.68 -7.77 88.45 1.37 10.17 43.10 17.58 27.35 1.56 9.05 0.00 0.67 0.68 49 D C C 120.71 1.50 10.42 12.84 104.42 53.18 -88.51 60.88 87.54 2.37 10.09 43.76 16.98 26.58 1.61 8.80 0.00 1.23 1.04 50 H C C 121.03 5.29 8.47 15.58 113.97 154.37 -95.18 132.28 87.05 4.06 8.89 60.85 18.68 7.15 2.43 6.54 0.00 1.98 2.36 51 A C C 72.39 3.19 10.19 15.15 117.87 -137.69 -91.11 142.63 94.49 2.73 2.78 77.26 16.04 1.39 1.89 0.85 0.00 1.43 1.12 52 P C C 97.71 3.35 10.43 15.63 112.54 -106.82 -67.84 144.85 85.46 3.87 10.68 79.51 3.40 2.99 8.03 2.34 0.00 2.22 1.51 53 V C C 102.74 3.94 8.35 14.18 112.00 -124.32 -84.22 138.82 65.59 3.16 31.25 54.11 6.09 5.55 24.42 6.77 0.00 1.87 1.19 54 A C C 82.27 2.13 9.78 13.31 111.65 -118.79 -80.60 139.87 54.68 4.28 41.04 43.28 5.96 5.84 31.14 9.67 0.01 2.88 1.22 55 L H H 122.03 2.84 8.75 13.35 108.01 -128.87 -82.27 116.69 47.49 3.92 48.59 34.70 6.67 6.74 36.87 11.33 0.02 2.54 1.13 56 S H H 81.50 2.66 9.21 13.33 108.91 54.67 -89.62 98.12 48.46 2.55 48.99 33.63 7.43 8.29 38.49 9.74 0.02 1.50 0.90 57 A C H 82.58 2.59 9.02 13.30 108.89 60.80 -84.16 109.64 50.57 2.00 47.42 28.28 10.16 13.48 37.03 9.08 0.05 1.04 0.88 58 G C C 56.07 2.39 10.17 13.91 106.90 11.96 -60.81 39.61 59.38 2.03 38.59 32.25 11.92 16.28 29.04 8.53 0.03 1.02 0.93 59 M C C 137.85 2.37 8.71 12.70 109.41 -141.25 -90.64 106.20 64.04 3.77 32.19 41.85 11.61 10.84 24.58 7.46 0.02 2.01 1.63 60 S C C 82.92 2.29 8.87 12.88 115.73 95.00 -94.83 138.69 72.89 4.66 22.45 49.20 13.18 10.21 16.85 5.98 0.01 2.67 1.88 61 A C C 88.91 1.84 9.26 12.58 112.02 -109.29 -79.94 138.77 79.92 4.70 15.39 55.47 15.02 9.01 10.95 4.75 0.01 2.55 2.24 62 L C C 120.25 3.11 7.37 12.65 115.03 -116.06 -83.71 138.50 94.55 2.16 3.29 65.27 26.90 2.37 2.27 1.00 0.00 0.95 1.23 63 P C C 100.99 2.24 8.10 12.06 113.34 -103.21 -69.69 148.90 93.36 1.29 5.36 78.02 8.20 7.39 2.35 2.64 0.00 0.69 0.71 64 A C C 95.69 1.18 7.92 10.31 109.87 -104.24 -74.36 136.27 92.65 1.67 5.69 51.54 15.62 25.83 1.60 3.74 0.00 0.85 0.81 65 G C C 62.69 1.23 8.36 10.60 111.10 -87.83 -79.22 132.48 95.98 0.99 3.03 72.38 3.78 20.37 0.74 1.72 0.00 0.58 0.43 66 R C C 177.66 2.07 9.15 12.86 110.42 -119.41 -88.78 119.48 99.84 0.12 0.04 99.58 0.21 0.10 0.02 0.01 0.00 0.06 0.02