# 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 H C C 127.51 4.05 9.81 15.69 115.22 -164.39 -98.38 132.17 99.74 0.13 0.13 99.64 0.11 0.09 0.07 0.01 0.00 0.05 0.03 1 R C C 170.55 1.94 8.39 11.89 111.25 -153.64 -90.95 124.23 81.18 3.02 15.80 74.10 1.65 6.43 11.36 3.39 0.00 1.78 1.30 2 F C C 142.78 3.23 6.68 11.67 110.67 -144.33 -90.46 117.63 74.42 5.61 19.97 54.27 9.75 9.91 13.97 6.39 0.01 3.33 2.38 3 R C C 167.23 1.98 8.36 11.84 109.29 -155.31 -89.60 117.97 65.96 5.27 28.77 42.97 10.81 11.81 20.53 8.61 0.03 3.18 2.05 4 N C C 115.80 2.32 8.33 12.16 107.17 25.95 -91.02 88.00 63.88 2.73 33.39 34.39 14.03 15.81 24.47 8.64 0.03 1.46 1.18 5 N C C 102.90 3.66 7.89 13.28 105.38 122.97 -90.03 64.26 62.65 1.66 35.69 39.93 11.15 11.49 27.31 8.46 0.01 0.82 0.82 6 K H H 149.04 1.78 9.16 12.18 102.67 123.07 -82.51 1.93 45.10 2.31 52.60 22.66 8.80 13.94 36.18 16.15 0.07 1.36 0.86 7 F H H 145.89 2.52 8.16 12.27 105.45 68.67 -88.10 24.87 39.21 5.10 55.70 19.48 7.23 12.69 35.40 20.17 0.12 3.57 1.34 8 L H H 111.86 3.30 7.94 13.05 108.62 83.65 -90.22 95.55 41.03 6.74 52.23 23.89 7.30 9.94 31.51 20.89 0.08 4.73 1.67 9 R C C 169.37 1.91 9.35 12.70 111.10 -147.72 -91.17 121.33 56.18 6.50 37.32 33.42 9.44 13.46 23.05 14.28 0.05 4.26 2.04 10 L C C 116.75 3.10 7.61 12.62 112.09 -142.57 -89.83 127.44 74.21 4.46 21.32 45.91 17.12 11.12 12.79 8.50 0.02 2.38 2.15 11 E C C 125.14 2.84 8.45 13.06 114.85 -140.60 -92.87 130.24 93.72 0.91 5.38 76.47 15.09 2.23 3.28 1.89 0.00 0.38 0.65 12 P C T 106.19 2.34 8.27 12.41 105.06 -116.99 -67.72 128.79 74.78 0.72 24.51 32.31 7.53 34.60 4.53 20.28 0.00 0.37 0.37 13 D C T 123.78 1.04 9.18 10.87 105.82 54.13 -87.74 61.42 75.14 0.91 23.95 27.02 9.84 38.23 4.41 19.53 0.00 0.47 0.50 14 L C C 106.00 4.20 6.94 13.00 112.47 148.10 -92.11 124.88 77.14 1.75 21.11 47.16 19.99 9.38 6.34 15.15 0.00 0.74 1.24 15 D C C 100.77 2.51 9.50 13.56 111.83 -132.33 -91.45 119.13 93.76 0.71 5.53 76.84 15.09 1.87 4.27 1.13 0.00 0.26 0.54 16 P C C 97.74 3.57 8.61 14.19 100.66 -145.36 -68.50 -7.25 64.40 0.98 34.62 35.06 6.89 21.80 21.03 14.17 0.01 0.54 0.49 17 K C C 152.22 1.63 10.13 12.74 106.50 70.52 -84.80 61.72 59.30 3.40 37.30 27.77 9.70 21.76 23.67 13.69 0.06 2.13 1.22 18 V C C 93.82 3.94 8.84 14.49 106.86 64.17 -91.08 61.55 54.48 7.42 38.10 35.95 9.29 9.53 25.66 12.42 0.04 4.92 2.19 19 Y C C 151.14 3.53 9.34 14.55 108.90 71.27 -87.06 110.59 60.47 7.39 32.14 38.67 8.88 12.90 27.14 5.23 0.05 5.01 2.11 20 G C C 50.75 2.78 11.34 15.30 106.19 37.26 -49.25 -6.19 66.59 4.49 28.91 35.93 13.08 17.33 25.14 4.35 0.04 2.90 1.22 21 Q C C 119.28 2.86 10.65 14.89 104.67 66.13 -82.94 23.94 61.05 3.58 35.37 43.10 10.70 6.50 33.37 3.18 0.01 2.11 1.04 22 T H H 82.51 3.68 10.15 15.32 104.40 76.32 -83.20 -27.29 38.30 1.99 59.71 28.89 6.21 3.72 57.61 1.97 0.00 1.13 0.46 23 E H H 125.91 2.31 11.96 15.09 98.67 60.84 -72.64 -34.73 14.43 1.13 84.44 10.34 2.42 3.19 80.83 2.19 0.01 0.83 0.19 24 T H H 80.51 2.48 12.34 15.53 97.34 55.19 -70.79 -39.16 10.02 1.33 88.65 7.29 1.60 2.62 85.01 2.20 0.01 1.08 0.20 25 L H H 93.96 3.30 11.43 16.10 95.30 51.91 -68.40 -37.58 6.42 0.85 92.73 4.35 1.10 2.00 89.46 2.22 0.01 0.71 0.14 26 Q H H 107.58 2.67 12.52 16.12 94.12 53.04 -67.73 -37.29 7.20 0.87 91.93 4.49 1.17 2.42 89.10 1.95 0.02 0.70 0.16 27 K H H 127.67 2.03 13.38 15.69 95.24 52.70 -69.26 -36.81 10.52 0.85 88.62 5.68 1.71 4.15 85.55 2.04 0.03 0.63 0.20 28 Q H H 108.59 2.34 13.25 16.07 96.11 51.19 -70.70 -36.78 15.29 0.90 83.81 7.81 2.44 6.11 80.82 1.94 0.04 0.59 0.25 29 V H H 82.34 3.33 12.24 16.75 96.59 53.63 -71.56 -38.52 21.49 1.00 77.51 12.03 3.58 6.52 75.42 1.57 0.02 0.55 0.30 30 D H H 89.08 2.63 13.33 16.60 96.77 54.14 -71.26 -37.06 29.71 0.66 69.63 18.12 3.71 7.43 68.70 1.50 0.01 0.32 0.21 31 D H H 90.95 2.57 13.40 16.41 96.18 53.19 -71.13 -34.87 29.27 0.46 70.27 12.93 4.71 11.32 68.62 2.01 0.01 0.22 0.18 32 N H H 96.71 2.67 13.42 16.76 95.30 53.30 -70.83 -32.74 27.72 0.48 71.81 12.69 4.26 10.63 69.88 2.11 0.01 0.23 0.19 33 F H H 118.77 3.17 13.28 17.42 94.66 54.60 -69.20 -35.76 19.22 0.78 80.00 11.86 2.97 4.80 77.87 1.81 0.01 0.48 0.20 34 S H H 61.73 2.92 14.19 17.81 94.40 56.98 -67.15 -39.44 13.61 0.81 85.58 9.86 1.54 2.83 83.70 1.36 0.00 0.58 0.14 35 L H H 95.00 2.29 14.43 16.96 93.82 52.61 -66.72 -39.89 5.85 0.50 93.65 3.73 0.84 1.80 91.90 1.24 0.00 0.41 0.07 36 L H H 91.64 2.37 14.52 17.25 93.05 51.22 -65.62 -41.61 4.33 0.49 95.18 2.60 0.64 1.51 93.65 1.13 0.01 0.41 0.07 37 L H H 90.46 2.44 14.31 17.22 92.79 50.45 -66.06 -40.73 4.58 0.45 94.97 2.56 0.73 1.76 93.45 1.07 0.01 0.35 0.07 38 A H H 57.87 2.39 14.08 17.02 92.43 51.73 -65.34 -40.45 5.23 0.31 94.46 2.67 0.77 2.15 93.19 0.94 0.01 0.21 0.06 39 K H H 124.25 1.72 14.80 16.23 92.97 50.84 -66.56 -39.87 7.13 0.27 92.59 2.93 0.99 3.50 91.33 1.00 0.01 0.17 0.07 40 H H H 109.12 2.26 13.83 16.51 93.78 50.82 -67.14 -39.91 9.83 0.32 89.84 4.67 1.38 4.08 88.57 1.02 0.01 0.18 0.09 41 R H H 137.56 1.93 13.75 15.91 93.80 51.75 -66.20 -40.01 7.25 0.32 92.44 4.11 0.98 2.50 91.12 1.03 0.00 0.18 0.08 42 L H H 99.27 1.71 13.19 14.99 93.78 51.01 -65.88 -40.47 6.10 0.28 93.62 3.27 0.84 2.27 92.26 1.12 0.01 0.17 0.06 43 D H H 90.66 1.58 13.12 14.64 93.83 51.04 -67.27 -39.39 7.59 0.28 92.14 3.94 0.95 2.82 91.06 1.01 0.01 0.16 0.07 44 M H H 110.37 1.78 11.70 13.98 93.29 52.06 -66.80 -39.43 7.46 0.22 92.32 3.66 1.10 3.01 90.73 1.30 0.01 0.12 0.06 45 K H H 134.16 1.34 11.54 13.02 93.10 52.07 -66.57 -38.29 7.68 0.19 92.13 3.41 1.03 3.34 90.51 1.53 0.01 0.11 0.05 46 A H H 77.89 1.22 10.15 11.66 93.94 52.79 -68.07 -35.33 11.43 0.18 88.39 3.99 1.39 5.94 86.52 1.98 0.01 0.09 0.07 47 A H H 87.40 1.00 8.87 10.27 95.60 54.39 -71.91 -27.36 23.03 0.26 76.71 6.45 2.43 13.80 75.16 1.89 0.02 0.11 0.13 48 A H H 89.88 1.07 8.17 9.96 99.60 60.85 -78.89 -11.58 48.76 0.39 50.85 21.40 1.49 23.47 51.93 1.33 0.00 0.14 0.24 49 A C C 81.39 2.52 10.22 14.15 104.51 83.29 -79.80 35.02 99.80 0.03 0.16 99.39 0.13 0.31 0.14 0.01 0.00 0.01 0.01