# 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 T C C 85.61 5.91 16.63 23.98 119.29 -159.01 -107.20 130.62 99.35 0.64 0.01 99.39 0.13 0.04 0.01 0.00 0.00 0.38 0.06 1 I C C 52.38 13.32 11.50 25.75 117.75 -160.45 -108.12 125.39 71.20 28.13 0.67 70.56 1.28 0.35 0.53 0.15 0.00 20.61 6.53 2 N C C 76.71 4.71 17.93 23.73 107.41 -142.67 -91.62 108.90 74.60 24.00 1.39 72.17 1.79 0.71 1.03 0.36 0.00 19.12 4.81 3 L H H 33.62 17.17 11.99 29.52 94.59 -176.25 -69.74 -27.91 22.09 0.60 77.31 10.41 3.41 9.21 62.28 14.02 0.06 0.38 0.24 4 H H H 86.21 10.90 13.02 24.63 91.94 64.17 -63.95 -32.10 11.42 0.14 88.44 1.80 1.40 7.53 71.17 17.93 0.04 0.09 0.05 5 K H H 144.46 1.51 16.78 17.76 92.55 54.98 -69.80 -31.49 8.43 0.11 91.46 1.17 0.99 5.59 73.43 18.68 0.03 0.07 0.03 6 R H H 125.23 5.76 15.04 21.82 95.19 47.82 -81.44 -24.29 12.67 0.14 87.19 1.47 1.52 9.12 74.24 13.45 0.06 0.08 0.06 7 L H H 35.71 16.16 10.13 26.00 99.98 42.51 -99.99 -3.74 39.71 0.93 59.36 5.18 6.17 28.51 50.15 8.36 0.50 0.42 0.70 8 H C T 127.84 5.13 12.33 19.61 109.13 118.97 -64.17 122.38 81.32 0.58 18.10 4.59 4.70 70.62 15.86 3.46 0.02 0.23 0.51 9 G C T 65.98 0.60 15.47 14.17 94.74 11.17 81.48 1.00 95.22 0.13 4.65 7.00 8.44 80.11 2.68 1.62 0.00 0.07 0.08 10 V C C 50.35 10.31 8.45 20.06 121.40 121.17 -92.60 146.38 98.78 0.60 0.62 51.19 46.58 0.96 0.39 0.16 0.00 0.15 0.57 11 S C C 59.86 2.23 17.74 19.23 118.05 -108.06 -70.38 156.26 99.00 0.74 0.26 97.12 1.62 0.26 0.17 0.04 0.00 0.16 0.63 12 F H H 99.31 12.35 11.16 23.97 92.10 -110.46 -57.75 -38.24 6.46 0.02 93.52 0.63 0.95 4.79 86.26 7.32 0.02 0.01 0.01 13 K H H 143.33 2.92 16.47 19.83 91.66 54.02 -64.71 -36.14 4.91 0.01 95.08 0.19 0.31 4.33 85.17 9.98 0.01 0.01 0.00 14 K H H 128.58 2.39 18.59 20.71 93.96 44.31 -76.03 -30.75 4.86 0.01 95.13 0.24 0.30 4.15 83.55 11.75 0.01 0.01 0.00 15 R H H 53.99 14.24 14.86 29.41 94.46 49.44 -78.21 -27.65 7.51 0.02 92.47 0.80 0.78 5.71 89.26 3.41 0.01 0.01 0.01 16 A H H 18.13 17.27 15.30 32.98 91.83 71.11 -59.63 -44.79 1.87 0.00 98.13 0.29 0.13 1.21 97.27 1.10 0.00 0.00 0.00 17 P H H 69.89 4.18 23.16 26.99 91.68 50.11 -63.98 -40.96 0.75 0.00 99.25 0.09 0.04 0.52 98.48 0.88 0.00 0.00 0.00 18 R H H 110.80 4.35 24.52 28.78 91.66 49.49 -65.35 -41.10 0.16 0.00 99.84 0.02 0.01 0.10 99.35 0.52 0.00 0.00 0.00 19 A H H 6.61 19.81 18.32 38.63 91.55 51.08 -63.31 -43.15 0.13 0.00 99.87 0.02 0.00 0.07 99.80 0.10 0.00 0.00 0.00 20 V H H 31.57 16.00 21.14 36.85 91.49 50.33 -62.97 -42.46 0.08 0.00 99.92 0.00 0.00 0.05 99.91 0.02 0.00 0.00 0.00 21 K H H 115.48 2.64 25.88 27.55 91.60 50.08 -63.77 -41.89 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 22 E H H 57.46 9.09 22.79 32.55 91.82 49.32 -64.45 -42.23 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 23 I H H 9.16 22.57 18.18 40.57 91.55 49.87 -63.85 -43.16 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 24 K H H 78.82 12.35 21.16 33.12 91.42 51.03 -62.59 -42.04 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 25 K H H 116.62 2.14 24.51 25.13 91.54 49.42 -64.09 -42.33 0.09 0.00 99.91 0.00 0.00 0.07 99.92 0.01 0.00 0.00 0.00 26 F H H 48.08 9.57 19.95 30.92 91.95 48.35 -64.47 -42.51 0.16 0.00 99.84 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 27 A H H 7.75 17.61 13.64 32.23 91.59 50.60 -63.38 -42.51 0.26 0.00 99.74 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 28 K H H 108.33 5.23 16.75 23.07 92.12 48.78 -64.85 -41.26 0.38 0.00 99.62 0.02 0.02 0.30 99.60 0.06 0.00 0.00 0.00 29 L H H 121.62 1.36 17.47 17.86 94.23 45.01 -69.33 -39.86 1.35 0.00 98.65 0.03 0.06 1.28 98.50 0.13 0.00 0.00 0.00 30 H H H 107.72 5.63 15.34 22.06 99.44 35.80 -84.89 -37.43 7.78 0.01 92.21 0.08 0.34 7.76 91.53 0.26 0.01 0.00 0.00 31 M H H 73.91 9.32 12.38 22.87 101.00 24.88 -104.59 -10.76 20.21 0.09 79.70 1.03 4.49 14.38 79.60 0.36 0.05 0.02 0.07 32 G C C 59.00 1.29 16.33 17.10 95.65 -122.47 75.05 15.74 99.60 0.20 0.21 71.96 17.19 10.45 0.06 0.14 0.00 0.09 0.10 33 T C C 44.60 9.86 9.33 20.72 125.42 132.49 -114.76 150.99 98.40 1.24 0.37 87.98 9.29 0.94 0.10 0.26 0.00 0.45 0.97 34 D C S 127.97 1.17 15.41 16.58 95.73 -150.93 -84.60 -10.98 98.87 0.77 0.36 9.01 71.59 18.32 0.03 0.37 0.00 0.51 0.18 35 D C S 101.43 2.97 17.10 20.77 102.18 63.38 -94.12 23.13 94.30 5.33 0.37 29.20 40.02 25.12 0.03 0.50 0.00 4.71 0.42 36 V C C 30.87 19.69 9.25 27.79 119.39 128.35 -97.92 134.27 66.69 33.17 0.14 62.94 3.16 0.21 0.05 0.10 0.00 31.23 2.31 37 R E E 138.70 3.57 22.93 27.02 121.08 -164.53 -116.18 134.70 41.14 58.80 0.07 41.01 0.87 0.07 0.03 0.03 0.00 54.07 3.91 38 L E C 46.10 20.22 11.80 30.81 118.14 -148.06 -98.07 133.75 44.99 54.94 0.07 44.44 1.16 0.05 0.04 0.03 0.00 43.15 11.12 39 A C C 35.52 8.87 15.01 25.76 111.23 -111.75 -69.02 138.25 99.60 0.36 0.04 99.40 0.30 0.02 0.02 0.00 0.00 0.22 0.03 40 P H H 93.90 3.26 15.79 20.20 91.75 -126.09 -59.24 -35.71 4.48 0.01 95.51 0.60 0.45 3.11 94.17 1.65 0.00 0.01 0.00 41 E H H 124.15 1.96 18.04 19.61 91.86 53.70 -64.52 -39.28 1.88 0.01 98.12 0.18 0.15 1.41 96.70 1.55 0.00 0.00 0.00 42 L H H 27.94 15.44 14.56 30.48 92.21 49.37 -65.90 -41.19 0.54 0.00 99.46 0.08 0.05 0.34 98.27 1.26 0.00 0.00 0.00 43 N H H 42.68 13.82 15.70 29.95 91.56 52.06 -63.11 -41.83 0.45 0.00 99.55 0.07 0.03 0.26 99.25 0.38 0.00 0.00 0.00 44 Q H H 100.14 2.32 21.28 22.42 91.84 49.99 -64.45 -41.20 0.49 0.00 99.51 0.05 0.03 0.33 99.35 0.24 0.00 0.00 0.00 45 A H H 34.58 5.92 18.51 25.92 91.64 50.28 -64.15 -41.97 0.76 0.00 99.24 0.06 0.05 0.56 99.01 0.32 0.00 0.00 0.00 46 I H H 18.19 17.98 13.57 31.97 92.04 49.93 -64.30 -42.38 1.76 0.01 98.23 0.20 0.14 1.29 97.70 0.67 0.00 0.00 0.00 47 W H H 120.41 8.60 15.96 25.33 92.29 49.63 -65.42 -38.88 4.94 0.04 95.02 0.66 0.42 3.75 92.78 2.33 0.02 0.02 0.01 48 K H H 151.05 1.22 17.86 17.88 93.20 50.93 -69.44 -34.90 15.22 0.08 84.70 1.04 1.18 13.10 82.19 2.37 0.05 0.04 0.04 49 R H H 129.89 4.34 15.00 20.20 99.18 38.17 -94.42 -14.19 39.02 0.43 60.54 3.51 6.35 29.45 57.11 2.97 0.16 0.16 0.31 50 G C T 24.97 7.40 15.45 24.46 121.89 -123.58 85.94 -163.31 71.69 1.41 26.91 17.94 12.15 41.53 18.76 8.14 0.05 0.63 0.81 51 V C T 57.17 14.94 11.27 25.89 96.47 -53.11 -71.26 -17.86 61.31 4.87 33.82 18.90 14.61 29.37 12.74 18.95 0.33 2.14 2.95 52 K C T 154.38 2.16 15.67 18.51 98.90 72.97 -69.76 -3.56 68.32 1.81 29.88 8.79 12.50 46.55 9.36 20.48 0.12 0.96 1.24 53 G C T 52.04 3.02 15.18 18.97 97.72 39.01 -85.74 -0.07 76.29 1.28 22.43 16.11 16.92 43.88 4.72 16.95 0.01 0.66 0.75 54 V C C 48.50 15.16 7.98 22.54 115.77 110.80 -88.06 131.58 88.08 5.36 6.56 67.28 16.86 3.82 3.24 3.26 0.00 2.42 3.10 55 E C C 128.29 2.94 14.38 18.40 111.69 -135.36 -82.13 130.09 86.80 7.43 5.77 75.71 7.01 4.11 2.30 3.30 0.00 5.37 2.20 56 Y C C 139.76 7.13 10.03 18.55 117.51 -146.21 -108.48 132.16 82.59 11.12 6.29 61.72 14.28 6.56 1.99 4.33 0.00 8.88 2.24 57 R C C 162.23 2.76 11.09 15.74 118.93 -156.96 -110.77 133.19 74.07 21.51 4.43 64.33 5.29 3.70 1.77 2.53 0.00 17.35 5.04 58 L C C 106.38 6.41 8.00 16.09 114.43 -147.79 -95.15 127.85 85.90 12.34 1.76 84.62 0.82 1.65 0.68 0.71 0.00 9.15 2.38 59 R C C 168.75 2.53 12.23 16.31 112.86 -154.06 -93.64 120.94 99.84 0.16 0.01 99.79 0.07 0.03 0.00 0.00 0.00 0.10 0.01