# 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 103.71 5.63 12.70 19.67 109.97 -149.07 -90.58 114.17 99.76 0.16 0.08 99.69 0.11 0.06 0.05 0.01 0.00 0.07 0.03 1 V C C 78.34 6.33 9.56 17.42 101.86 136.74 -81.62 -16.95 66.95 1.50 31.56 63.64 0.94 2.88 30.23 1.06 0.00 0.57 0.68 2 A H H 70.43 1.98 10.80 13.69 94.38 79.76 -64.68 -38.66 17.81 0.34 81.85 9.86 2.83 6.12 78.30 2.56 0.01 0.16 0.14 3 Y H H 146.39 1.79 11.51 13.83 93.41 53.85 -67.10 -37.53 9.64 0.20 90.16 3.59 1.66 4.94 85.73 3.87 0.02 0.12 0.07 4 W H H 103.09 6.66 9.28 17.68 94.02 51.71 -68.19 -38.01 4.99 0.15 94.86 1.93 0.84 2.55 89.78 4.74 0.02 0.10 0.04 5 R H H 143.16 3.39 11.36 16.38 93.15 54.69 -65.62 -39.72 4.32 0.10 95.58 1.32 0.59 2.47 90.97 4.55 0.01 0.07 0.03 6 Q H H 143.11 0.93 12.59 13.07 92.65 53.12 -68.62 -29.06 12.40 0.10 87.50 1.35 1.14 9.84 83.41 4.11 0.06 0.05 0.05 7 A C T 66.55 3.75 10.68 16.07 94.73 54.66 -84.01 -8.09 63.09 0.10 36.81 0.99 2.30 59.37 34.59 2.59 0.03 0.03 0.10 8 G C T 56.84 1.48 14.81 16.15 97.80 -109.58 81.98 12.84 99.21 0.04 0.74 5.41 2.85 91.12 0.43 0.15 0.00 0.02 0.01 9 L C C 58.29 11.35 7.91 19.93 117.51 141.60 -87.82 139.72 98.38 0.81 0.80 93.39 4.12 0.84 0.49 0.20 0.00 0.30 0.65 10 S C C 56.15 2.84 16.19 19.24 122.37 -142.17 -90.23 164.54 97.37 1.45 1.18 93.80 2.93 0.55 0.94 0.16 0.00 0.40 1.20 11 Y H H 144.65 5.28 12.35 19.33 92.26 -103.12 -60.21 -37.38 4.30 0.02 95.68 0.76 0.86 2.57 95.29 0.49 0.01 0.00 0.01 12 I H H 114.88 1.79 15.53 16.67 92.17 52.12 -65.38 -40.69 2.40 0.01 97.59 0.21 0.20 1.95 97.02 0.62 0.00 0.00 0.00 13 R H H 115.46 4.26 15.64 20.86 92.24 48.92 -66.36 -39.88 0.78 0.00 99.22 0.09 0.05 0.56 98.78 0.51 0.00 0.00 0.00 14 Y H H 74.66 10.12 13.53 24.89 91.78 51.03 -64.09 -42.24 0.26 0.00 99.74 0.04 0.02 0.15 99.68 0.11 0.00 0.00 0.00 15 S H H 54.31 4.29 16.91 21.83 91.59 50.27 -64.07 -41.10 0.23 0.00 99.77 0.03 0.01 0.13 99.79 0.04 0.00 0.00 0.00 16 Q H H 100.55 2.48 18.81 20.80 91.84 50.26 -64.72 -41.48 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 17 I H H 61.30 7.38 17.10 25.74 92.10 49.64 -64.46 -42.31 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 18 C H H 49.90 7.77 17.05 25.95 91.74 50.19 -63.53 -41.58 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 19 A H H 52.24 3.44 18.66 21.99 91.36 50.40 -63.66 -41.44 0.21 0.00 99.79 0.01 0.01 0.14 99.81 0.02 0.00 0.00 0.00 20 K H H 111.86 2.80 19.91 22.31 91.93 49.85 -65.20 -40.78 0.20 0.00 99.80 0.01 0.01 0.13 99.82 0.02 0.00 0.00 0.00 21 A H H 34.36 8.83 15.30 25.56 91.92 51.25 -64.01 -41.92 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 22 V H H 72.55 5.83 17.30 23.55 91.71 49.59 -63.84 -41.74 0.20 0.00 99.80 0.02 0.01 0.12 99.80 0.06 0.00 0.00 0.00 23 R H H 138.63 2.22 18.29 19.82 92.02 49.84 -64.79 -40.29 0.53 0.00 99.47 0.04 0.02 0.37 99.37 0.19 0.00 0.00 0.00 24 D H H 75.27 4.48 16.33 21.55 92.39 50.05 -67.94 -36.06 2.65 0.00 97.35 0.14 0.11 2.27 96.82 0.66 0.00 0.00 0.00 25 A H H 42.54 9.45 12.06 22.80 91.93 57.49 -70.32 -27.86 17.83 0.03 82.15 0.69 0.79 16.47 80.80 1.20 0.02 0.01 0.02 26 L C T 108.33 3.87 14.06 18.60 95.12 55.48 -83.47 -10.64 59.97 0.33 39.69 5.58 6.34 46.53 38.67 2.49 0.03 0.11 0.26 27 K C C 101.65 4.48 11.00 17.49 112.64 103.43 -77.15 134.09 89.61 0.89 9.50 50.28 36.21 2.58 9.02 0.97 0.00 0.20 0.75 28 T H H 104.70 1.76 11.71 14.41 93.93 -132.78 -62.03 -35.80 17.80 0.17 82.03 3.55 2.79 10.70 67.45 15.28 0.05 0.09 0.08 29 E H H 140.73 1.03 13.51 13.94 92.45 54.86 -66.15 -35.84 14.96 0.10 84.94 2.10 1.60 10.24 71.62 14.29 0.04 0.06 0.04 30 F H H 82.30 7.08 10.76 19.51 96.20 47.33 -77.66 -30.38 11.94 0.20 87.86 3.47 1.63 6.40 73.82 14.46 0.03 0.13 0.07 31 K H H 100.80 6.17 12.33 20.12 92.59 62.82 -62.47 -41.32 7.97 0.23 91.79 4.26 1.35 2.97 87.41 3.79 0.01 0.14 0.07 32 A H H 63.17 1.64 15.36 16.43 92.14 51.15 -64.68 -40.92 7.22 0.19 92.59 2.53 1.05 3.86 87.66 4.69 0.02 0.13 0.05 33 N H H 92.56 2.42 14.98 17.64 93.10 49.89 -67.53 -37.91 8.58 0.16 91.26 2.45 1.17 5.02 86.12 5.07 0.02 0.10 0.05 34 A H H 38.91 9.16 10.19 20.75 93.45 54.47 -66.57 -36.05 12.37 0.23 87.39 4.42 1.97 6.28 81.66 5.43 0.02 0.14 0.08 35 E H H 132.26 2.34 13.68 16.94 93.11 55.42 -69.73 -27.43 26.32 0.61 73.08 8.85 4.00 14.43 67.48 4.59 0.05 0.35 0.24 36 K H H 155.92 1.15 12.57 13.55 97.48 57.71 -80.42 -12.37 42.91 1.39 55.70 16.11 7.88 20.59 49.87 4.18 0.08 0.67 0.62 37 T C C 86.74 4.13 9.10 14.89 105.76 70.64 -93.90 25.80 62.05 2.62 35.33 31.28 13.16 18.35 31.04 3.74 0.06 1.13 1.26 38 S C C 82.68 2.78 9.26 13.71 110.53 124.95 -90.30 114.72 79.56 2.33 18.11 38.12 15.57 26.27 12.50 5.26 0.02 1.14 1.13 39 G C C 58.20 1.80 9.97 12.98 108.28 3.94 73.86 4.87 85.73 1.74 12.54 34.19 23.11 29.29 4.39 7.31 0.00 0.86 0.85 40 S C C 88.72 2.05 8.91 12.34 106.07 90.14 -91.90 33.85 84.74 2.74 12.51 40.65 25.07 19.81 3.42 8.44 0.01 1.48 1.11 41 N C C 125.98 1.52 9.00 11.71 108.21 93.98 -99.13 72.56 82.62 7.29 10.09 47.84 21.60 13.92 2.75 7.11 0.01 4.93 1.83 42 V C C 106.30 3.64 6.70 12.41 118.13 131.10 -102.76 131.47 81.08 14.21 4.72 67.85 9.70 3.12 2.13 2.53 0.00 12.38 2.30 43 K C C 159.39 1.19 9.01 11.37 118.01 -158.29 -106.08 133.03 75.47 20.71 3.82 65.74 6.73 2.13 1.99 1.64 0.00 19.84 1.93 44 I C C 134.87 2.22 6.97 11.42 119.43 -154.67 -110.07 132.83 66.06 30.60 3.35 55.95 7.39 1.81 2.07 1.39 0.01 28.30 3.09 45 V C C 111.68 1.83 7.86 11.61 121.82 -166.97 -117.47 137.46 66.95 31.43 1.62 58.65 6.59 0.86 1.12 0.64 0.00 29.14 2.99 46 K C C 160.68 1.41 8.34 11.36 115.34 -129.19 -87.79 132.84 80.72 18.38 0.90 75.95 3.47 0.60 0.42 0.36 0.00 18.14 1.05 47 V C C 110.24 2.93 5.98 10.95 111.49 -127.56 -81.99 134.22 80.56 13.67 5.77 70.75 5.80 3.91 2.29 3.19 0.00 11.98 2.07 48 K C C 164.55 1.04 7.11 9.29 114.00 -134.21 -92.52 134.05 86.26 8.27 5.47 59.99 17.98 8.51 1.83 3.58 0.00 6.31 1.79 49 K C C 166.72 1.17 6.88 9.45 110.78 -125.54 -89.95 123.96 89.63 6.05 4.32 80.54 2.99 6.58 1.26 2.52 0.00 4.68 1.42 50 E C C 147.35 1.92 9.09 12.60 112.26 -142.96 -88.26 127.09 99.82 0.15 0.03 99.72 0.10 0.06 0.01 0.00 0.00 0.09 0.01