# 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 89.86 6.15 12.57 19.76 103.37 136.81 -80.10 21.87 99.58 0.06 0.36 99.47 0.09 0.09 0.31 0.01 0.00 0.02 0.01 1 A H H 66.64 2.40 11.32 14.63 96.52 75.89 -67.26 -41.25 33.06 0.18 66.76 29.63 0.66 3.12 65.53 0.93 0.00 0.07 0.07 2 Q H H 127.23 1.21 11.00 12.33 94.29 52.11 -66.66 -38.18 10.78 0.07 89.15 5.32 1.39 3.94 88.03 1.27 0.00 0.03 0.03 3 A H H 65.98 1.84 10.99 13.56 93.15 52.05 -65.85 -39.60 5.02 0.04 94.94 2.53 0.62 1.86 93.74 1.21 0.00 0.02 0.01 4 R H H 143.83 1.57 12.23 14.10 92.37 51.22 -65.24 -39.84 2.04 0.01 97.95 1.04 0.27 0.74 97.32 0.62 0.00 0.01 0.00 5 K H H 121.03 1.54 13.27 14.72 92.08 50.50 -64.87 -40.40 1.37 0.01 98.62 0.60 0.15 0.56 98.40 0.28 0.00 0.00 0.00 6 L H H 92.47 1.72 13.79 15.47 92.01 50.13 -64.46 -41.51 0.95 0.00 99.05 0.35 0.10 0.42 98.94 0.18 0.00 0.00 0.00 7 V H H 81.65 1.90 14.05 16.04 91.91 49.74 -64.46 -41.74 0.70 0.00 99.30 0.23 0.07 0.32 99.27 0.11 0.00 0.00 0.00 8 E H H 105.18 1.77 14.58 16.20 91.72 50.29 -64.12 -40.98 0.60 0.00 99.39 0.16 0.05 0.30 99.40 0.09 0.00 0.00 0.00 9 Q H H 104.00 1.62 14.62 15.91 91.73 50.23 -64.64 -40.91 0.66 0.00 99.33 0.14 0.05 0.36 99.35 0.10 0.00 0.00 0.00 10 L H H 96.06 1.76 14.34 16.02 91.91 50.30 -64.64 -40.69 0.68 0.00 99.32 0.14 0.05 0.37 99.31 0.13 0.00 0.00 0.00 11 K H H 125.54 1.64 14.69 16.15 91.77 50.43 -64.41 -40.72 0.87 0.00 99.12 0.17 0.07 0.50 99.07 0.19 0.00 0.00 0.00 12 M H H 105.54 1.65 15.01 16.25 91.89 49.57 -64.79 -41.21 1.50 0.00 98.49 0.27 0.13 0.92 98.33 0.35 0.00 0.00 0.00 13 E H H 110.19 1.69 15.19 16.47 92.01 50.31 -64.75 -40.20 3.28 0.01 96.71 0.52 0.29 2.14 96.43 0.61 0.00 0.00 0.00 14 A H H 55.17 2.52 14.00 17.28 91.82 50.82 -64.77 -39.99 11.38 0.02 88.59 1.35 0.95 8.49 88.09 1.08 0.01 0.01 0.02 15 N H H 91.08 2.02 14.87 16.84 92.73 51.10 -66.36 -38.65 27.87 0.07 72.06 4.95 2.21 19.70 71.63 1.43 0.01 0.03 0.05 16 I H H 96.63 1.95 14.70 16.57 92.66 52.29 -65.35 -41.31 15.17 0.10 84.73 5.83 2.76 6.62 83.19 1.50 0.01 0.04 0.05 17 D H H 86.64 2.00 14.65 16.72 92.39 50.48 -66.04 -40.54 10.48 0.07 89.45 5.24 1.36 3.80 88.31 1.23 0.00 0.03 0.03 18 R H H 143.54 1.75 14.57 16.24 92.38 50.95 -65.32 -40.02 5.31 0.03 94.65 2.06 0.74 2.48 93.55 1.14 0.00 0.01 0.01 19 I H H 98.55 1.78 14.92 16.44 92.13 49.62 -65.07 -41.37 3.33 0.03 96.64 1.32 0.46 1.50 95.96 0.74 0.00 0.01 0.01 20 K H H 119.74 1.88 15.29 17.06 92.14 50.15 -64.92 -40.85 3.14 0.03 96.83 1.30 0.40 1.42 96.30 0.55 0.00 0.01 0.01 21 V H H 83.31 2.29 14.92 17.47 92.03 49.61 -64.49 -41.61 1.93 0.01 98.06 0.70 0.24 0.88 97.85 0.31 0.00 0.00 0.00 22 S H H 62.29 2.00 15.73 17.54 91.87 50.37 -64.37 -40.96 1.54 0.01 98.45 0.50 0.15 0.74 98.38 0.23 0.00 0.00 0.00 23 K H H 124.93 1.61 16.59 17.42 92.28 49.77 -65.16 -40.85 1.24 0.00 98.75 0.27 0.12 0.73 98.69 0.19 0.00 0.00 0.00 24 A H H 54.74 2.46 15.48 18.29 91.92 49.99 -64.40 -41.50 0.99 0.00 99.00 0.22 0.08 0.55 99.01 0.14 0.00 0.00 0.00 25 A H H 55.67 2.61 15.35 18.50 91.82 50.59 -63.52 -40.87 0.55 0.00 99.45 0.10 0.03 0.29 99.50 0.08 0.00 0.00 0.00 26 A H H 58.90 2.12 15.95 17.96 91.73 50.82 -63.75 -40.85 0.29 0.00 99.71 0.04 0.01 0.16 99.74 0.04 0.00 0.00 0.00 27 D H H 90.06 1.55 16.28 16.98 92.12 49.96 -64.96 -40.74 0.27 0.00 99.73 0.03 0.01 0.15 99.77 0.03 0.00 0.00 0.00 28 L H H 94.31 2.26 15.14 17.65 91.97 50.25 -64.51 -41.26 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 29 M H H 102.56 2.61 14.99 18.17 91.78 50.46 -64.32 -41.00 0.14 0.00 99.86 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 30 A H H 61.69 1.65 15.91 16.85 91.72 50.46 -63.92 -41.48 0.25 0.00 99.75 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 31 Y H H 132.09 1.63 15.80 16.74 92.07 49.41 -64.33 -41.46 0.41 0.00 99.59 0.03 0.02 0.28 99.59 0.08 0.00 0.00 0.00 32 C H H 58.99 4.14 12.92 18.75 92.14 50.32 -64.57 -41.17 0.57 0.00 99.43 0.06 0.03 0.38 99.39 0.14 0.00 0.00 0.00 33 E H H 116.82 2.12 14.81 17.24 91.74 50.51 -64.61 -39.91 1.28 0.00 98.72 0.08 0.06 0.97 98.52 0.37 0.00 0.00 0.00 34 A H H 68.42 1.30 15.44 15.55 92.08 50.42 -65.77 -38.26 6.12 0.00 93.88 0.14 0.22 5.72 93.17 0.74 0.00 0.00 0.00 35 H H H 105.67 2.97 13.43 17.25 95.85 44.00 -83.32 -18.32 18.75 0.02 81.23 0.79 0.97 16.93 79.64 1.63 0.01 0.00 0.02 36 A H G 43.78 7.82 9.26 18.91 92.40 73.71 -62.61 -34.87 19.38 0.08 80.54 1.93 1.39 14.05 38.28 44.25 0.01 0.04 0.05 37 K H G 156.33 1.18 13.24 14.37 92.06 56.86 -69.34 -27.94 28.94 0.06 71.00 1.04 1.36 25.58 23.41 48.52 0.01 0.03 0.05 38 E H G 152.85 0.78 13.12 12.70 97.06 45.60 -92.97 -7.28 33.94 0.12 65.95 1.86 3.52 27.45 15.38 51.63 0.01 0.05 0.09 39 D C C 60.81 6.86 7.39 16.15 111.93 88.98 -97.76 114.45 99.63 0.28 0.10 76.00 23.35 0.22 0.05 0.04 0.00 0.06 0.29 40 P C T 107.27 1.87 10.14 13.53 92.48 -155.98 -64.03 -23.43 82.82 0.12 17.06 1.95 4.49 74.47 1.03 17.93 0.00 0.06 0.08 41 L C T 128.73 1.50 10.21 12.45 93.14 63.34 -74.56 -13.82 82.51 0.30 17.20 1.63 5.02 74.64 1.26 17.11 0.00 0.15 0.18 42 L C T 106.05 3.96 8.80 14.35 98.89 60.60 -87.50 -5.15 71.01 4.18 24.82 21.91 22.20 26.93 2.33 21.98 0.03 1.70 2.92 43 T C C 89.96 3.04 9.82 14.56 117.31 87.84 -96.96 129.43 92.40 2.66 4.94 36.00 32.92 23.33 0.90 4.14 0.00 1.16 1.56 44 P C C 109.80 1.87 11.60 14.42 109.83 -111.57 -72.47 134.06 98.22 0.61 1.16 42.29 34.78 20.88 0.14 1.28 0.00 0.28 0.35 45 V C C 73.26 6.95 7.22 15.86 117.96 -150.51 -97.10 132.93 98.96 0.90 0.14 61.15 37.45 0.38 0.05 0.07 0.00 0.27 0.63 46 P C C 82.77 1.88 12.25 14.62 113.18 -110.57 -65.27 145.57 98.92 0.76 0.32 97.46 1.22 0.32 0.09 0.12 0.00 0.23 0.56 47 A H G 80.96 3.91 8.04 14.02 93.87 -119.16 -61.06 -31.76 38.96 0.21 60.83 3.68 4.93 27.09 1.71 62.40 0.00 0.10 0.08 48 S H G 97.27 0.63 10.23 10.49 94.38 60.91 -72.53 -16.17 38.88 0.12 61.00 2.14 3.71 29.34 1.61 63.09 0.00 0.06 0.04 49 E H G 139.32 1.72 10.23 12.73 98.52 55.10 -89.23 -6.97 35.22 0.36 64.42 6.02 7.23 19.97 1.86 64.62 0.00 0.18 0.13 50 N C S 74.76 7.06 6.78 15.30 110.84 81.16 -101.95 106.54 98.93 0.51 0.57 44.23 53.84 0.88 0.21 0.25 0.00 0.13 0.45 51 P C C 101.65 2.50 9.39 13.63 101.99 -160.50 -70.96 -1.63 98.80 0.66 0.54 91.88 3.43 3.49 0.14 0.30 0.00 0.23 0.53 52 F C C 140.48 4.60 10.61 16.74 105.55 89.95 -86.33 47.56 99.79 0.20 0.01 99.59 0.20 0.07 0.00 0.00 0.00 0.07 0.07