# 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 K C C 139.41 3.48 11.29 16.51 115.78 -142.83 -87.64 138.87 99.92 0.05 0.03 99.81 0.10 0.04 0.02 0.00 0.00 0.02 0.01 1 S C C 69.24 4.18 8.10 14.10 114.42 -124.58 -83.99 146.09 81.55 0.81 17.64 78.04 0.93 4.23 13.99 1.98 0.00 0.32 0.50 2 K C H 162.90 1.30 9.53 11.72 97.58 -130.12 -72.87 -23.36 56.50 0.78 42.72 25.47 12.60 19.61 35.99 5.53 0.02 0.32 0.46 3 N C H 106.69 2.70 9.14 13.35 101.72 56.98 -91.00 10.12 52.43 0.90 46.67 26.44 11.26 16.39 39.13 5.87 0.03 0.36 0.52 4 H H H 110.45 4.63 9.39 15.65 102.84 106.43 -82.06 -4.06 36.04 0.79 63.17 24.92 6.63 6.08 57.60 4.08 0.01 0.33 0.35 5 T H H 81.96 3.28 11.42 15.92 104.59 71.17 -81.13 -18.05 27.67 0.59 71.73 18.13 4.89 6.01 67.33 3.14 0.01 0.27 0.23 6 A H H 66.47 3.28 12.05 16.43 98.57 53.51 -71.57 -30.04 19.72 0.40 79.88 11.38 4.07 5.51 75.84 2.84 0.01 0.19 0.15 7 H H H 107.73 4.00 11.96 17.33 96.66 60.17 -70.27 -35.04 16.74 0.34 82.92 8.87 3.49 5.48 79.29 2.57 0.01 0.16 0.12 8 N H H 87.16 3.82 12.71 17.65 96.18 54.00 -71.18 -34.18 16.74 0.34 82.93 9.37 2.93 5.45 79.60 2.34 0.01 0.17 0.13 9 Q H H 106.50 3.29 13.32 17.46 95.01 56.84 -70.08 -35.70 14.29 0.29 85.42 7.10 2.76 5.12 82.88 1.89 0.02 0.13 0.11 10 T H H 69.29 4.64 12.67 18.61 96.62 51.64 -70.91 -37.18 16.31 0.34 83.35 9.05 2.79 4.99 81.27 1.61 0.01 0.16 0.12 11 K H H 116.31 2.73 13.91 17.25 94.05 55.77 -67.04 -40.34 10.36 0.23 89.42 4.73 1.92 4.15 87.41 1.57 0.03 0.11 0.08 12 K H H 108.35 2.83 14.04 17.54 93.29 52.01 -66.57 -40.17 7.42 0.19 92.40 3.03 1.39 3.55 89.96 1.88 0.04 0.10 0.06 13 A H H 45.83 5.47 11.42 18.81 92.93 52.30 -66.10 -39.51 6.42 0.16 93.42 2.54 1.01 3.25 90.07 2.94 0.03 0.09 0.05 14 H H H 120.67 3.11 12.29 16.44 94.51 49.66 -71.14 -35.12 8.63 0.23 91.14 2.70 1.29 5.14 86.61 3.99 0.06 0.13 0.09 15 R H H 162.90 1.64 12.49 14.32 96.00 49.90 -76.82 -29.23 15.10 0.26 84.63 2.65 2.22 10.73 80.75 3.30 0.10 0.12 0.13 16 N H H 105.47 2.77 11.32 15.02 100.02 34.25 -96.93 0.43 41.91 0.29 57.80 4.66 6.27 30.82 55.93 1.97 0.07 0.10 0.19 17 G C T 49.81 3.20 10.95 15.66 102.51 -113.52 78.77 11.44 93.48 0.66 5.85 30.46 21.21 42.34 2.50 2.81 0.00 0.30 0.37 18 I C C 107.35 4.66 9.02 15.47 110.67 121.95 -89.99 120.86 91.18 3.48 5.34 53.16 26.55 11.45 1.76 3.32 0.00 1.44 2.33 19 K C C 150.58 1.72 11.65 14.43 116.55 -141.94 -93.99 136.31 94.40 2.54 3.07 67.92 21.58 4.68 1.13 1.83 0.00 1.07 1.80 20 K C C 131.84 5.02 9.23 16.27 115.90 -114.74 -80.42 138.38 99.08 0.64 0.28 80.30 18.38 0.47 0.12 0.13 0.00 0.26 0.35 21 P C C 72.33 5.91 8.16 16.04 113.91 -107.33 -64.57 148.10 95.02 0.73 4.25 87.30 4.11 3.57 0.96 3.26 0.00 0.31 0.49 22 K C C 173.35 0.89 10.32 11.41 95.62 -124.54 -70.73 -21.93 81.18 0.87 17.95 40.65 23.31 15.77 2.44 16.78 0.00 0.35 0.70 23 T C S 105.32 1.53 9.62 12.04 101.62 61.97 -88.96 -9.89 75.65 1.07 23.28 24.85 27.45 22.74 2.77 20.96 0.00 0.45 0.76 24 Y C C 149.31 4.24 8.94 14.82 103.28 49.79 -94.09 31.95 78.28 1.16 20.56 45.83 15.88 14.67 2.82 19.53 0.00 0.57 0.69 25 K C C 126.50 4.68 9.57 16.05 108.58 119.29 -86.24 106.91 88.10 1.65 10.24 61.96 16.89 8.46 3.03 7.46 0.00 0.66 1.53 26 Y C C 110.55 6.63 8.73 16.89 112.92 -133.08 -101.03 114.07 93.28 0.91 5.82 68.09 22.62 2.46 2.61 2.93 0.00 0.29 1.00 27 P H G 103.29 2.06 12.40 15.53 94.82 -153.41 -63.21 -29.03 28.88 0.32 70.80 6.95 3.81 15.71 3.55 69.70 0.00 0.19 0.08 28 S H G 79.45 2.48 11.92 15.50 93.58 63.03 -74.55 -13.36 29.31 0.23 70.45 3.96 3.30 19.23 3.56 69.76 0.00 0.14 0.06 29 L H G 59.88 11.40 8.10 19.99 95.67 59.11 -91.73 -2.81 34.05 0.44 65.52 10.69 5.52 14.71 2.22 66.49 0.00 0.25 0.12 30 K C T 143.42 2.82 10.66 16.01 111.47 121.31 -63.34 133.73 97.38 0.32 2.30 4.28 4.12 89.26 0.58 1.34 0.00 0.13 0.29 31 G C T 66.53 0.50 14.00 12.55 94.92 18.03 83.11 0.02 99.12 0.13 0.75 2.40 6.00 90.78 0.10 0.60 0.00 0.08 0.04 32 V C C 55.07 10.35 6.92 18.12 120.26 120.73 -81.60 146.71 97.16 2.61 0.23 66.06 29.96 0.34 0.12 0.08 0.00 0.48 2.96 33 D C C 80.06 2.84 13.26 16.94 114.67 -105.15 -69.16 146.77 99.51 0.44 0.04 99.06 0.52 0.02 0.03 0.00 0.00 0.09 0.29 34 A H H 74.01 3.13 12.08 16.74 91.76 -117.80 -58.96 -36.96 1.68 0.00 98.32 0.11 0.11 1.35 98.06 0.37 0.00 0.00 0.00 35 K H H 132.35 1.98 14.43 16.52 91.59 53.61 -64.62 -40.46 0.84 0.00 99.16 0.04 0.04 0.72 98.79 0.41 0.00 0.00 0.00 36 F H H 94.71 4.35 13.86 19.43 92.00 48.78 -65.82 -40.95 0.20 0.00 99.80 0.02 0.01 0.13 99.55 0.30 0.00 0.00 0.00 37 R H H 104.18 4.88 14.71 20.92 91.95 51.33 -64.15 -42.14 0.10 0.00 99.90 0.01 0.00 0.06 99.85 0.08 0.00 0.00 0.00 38 R H H 120.69 3.06 16.94 20.32 91.66 49.62 -63.91 -41.78 0.19 0.00 99.81 0.01 0.01 0.14 99.79 0.05 0.00 0.00 0.00 39 N H H 73.39 4.67 16.42 21.99 91.76 49.58 -64.45 -41.14 0.45 0.00 99.55 0.04 0.02 0.33 99.53 0.08 0.00 0.00 0.00 40 H H H 89.55 5.14 16.76 22.86 92.10 50.75 -64.51 -41.02 0.36 0.00 99.64 0.04 0.02 0.24 99.50 0.21 0.00 0.00 0.00 41 R H H 116.28 3.59 17.82 21.81 92.06 50.66 -64.62 -41.81 0.48 0.00 99.52 0.05 0.02 0.33 99.23 0.36 0.00 0.00 0.00 42 F H H 87.42 4.67 15.74 21.73 91.97 49.84 -64.86 -41.30 0.89 0.00 99.11 0.10 0.06 0.61 98.64 0.59 0.00 0.00 0.00 43 A H H 48.64 5.88 13.96 21.40 92.14 51.76 -64.76 -39.27 2.59 0.01 97.40 0.30 0.17 1.87 96.68 0.97 0.00 0.00 0.00 44 L H H 108.07 3.20 15.48 19.33 92.68 50.59 -68.55 -34.35 9.92 0.04 90.05 0.53 0.60 8.58 89.13 1.10 0.02 0.01 0.01 45 H H H 127.98 2.39 15.04 17.51 96.03 44.71 -87.69 -11.36 37.33 0.15 62.52 1.92 3.57 30.80 62.45 1.08 0.04 0.05 0.10 46 G C T 41.35 5.67 12.61 19.73 104.60 -117.00 79.70 15.07 89.68 0.86 9.46 25.55 16.85 46.93 8.52 1.35 0.00 0.31 0.47 47 T C C 64.84 3.88 14.17 19.07 124.87 2.43 -104.31 162.51 79.86 1.81 18.33 65.08 10.74 2.43 19.10 1.01 0.00 0.52 1.12 48 A H H 73.71 4.18 13.19 18.95 92.90 -110.26 -61.65 -36.67 5.74 0.05 94.22 2.02 1.23 2.43 93.47 0.81 0.00 0.01 0.02 49 K H H 142.52 1.22 16.12 16.47 92.02 52.53 -64.24 -40.94 3.02 0.03 96.95 0.87 0.41 1.61 96.26 0.83 0.01 0.01 0.01 50 A H H 35.71 4.66 13.33 20.18 91.96 50.16 -63.72 -41.46 1.92 0.03 98.05 0.71 0.25 0.92 97.26 0.84 0.00 0.02 0.01 51 L H H 59.34 5.88 12.68 20.58 91.87 50.19 -64.30 -41.48 1.20 0.02 98.78 0.42 0.14 0.56 98.42 0.45 0.00 0.01 0.00 52 A H H 55.25 2.59 13.67 17.16 91.81 50.81 -63.73 -40.77 1.35 0.01 98.63 0.35 0.13 0.73 98.27 0.51 0.00 0.01 0.00 53 A H H 70.63 1.73 13.08 15.01 92.06 50.94 -64.99 -38.78 3.18 0.01 96.80 0.45 0.22 2.17 96.12 1.03 0.00 0.00 0.00 54 K H H 139.29 2.32 11.26 14.73 92.49 51.35 -68.74 -32.58 11.94 0.02 88.04 0.94 0.68 9.64 87.53 1.18 0.01 0.01 0.01 55 R H H 164.51 1.98 10.45 13.59 95.71 52.80 -77.72 -18.40 37.37 0.12 62.51 9.65 1.07 24.91 63.17 1.07 0.01 0.03 0.09 56 A C C 75.52 3.23 11.17 15.89 100.75 82.81 -73.16 -7.14 99.73 0.03 0.23 98.88 0.31 0.51 0.25 0.01 0.00 0.02 0.01