# 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 116.56 4.07 10.94 16.47 110.85 -154.08 -85.40 126.04 99.89 0.03 0.08 99.76 0.09 0.09 0.03 0.01 0.00 0.01 0.01 1 A C C 73.53 3.59 9.04 14.26 103.40 75.71 -76.92 -17.81 70.45 0.61 28.94 58.75 2.11 12.43 12.27 13.77 0.00 0.32 0.36 2 D C C 105.62 2.53 8.90 12.91 101.29 64.11 -79.65 -12.39 66.95 1.18 31.87 37.93 10.33 19.01 11.98 19.44 0.00 0.57 0.75 3 Q C C 125.14 2.82 8.85 13.27 100.39 69.08 -82.47 -7.58 65.42 1.75 32.83 39.80 12.42 13.42 13.92 18.58 0.01 0.85 1.01 4 K C C 144.87 2.27 9.69 13.31 101.89 75.47 -85.08 -5.32 74.11 2.57 23.33 43.83 18.61 12.14 13.59 9.06 0.01 1.06 1.70 5 S C C 69.29 3.76 8.64 14.06 113.97 76.46 -88.93 137.80 84.73 2.34 12.93 60.35 13.99 10.33 7.08 5.61 0.00 1.07 1.55 6 M C C 143.95 1.97 9.19 12.48 98.85 -120.86 -81.70 -3.93 86.49 1.48 12.03 34.70 21.82 31.12 4.87 5.93 0.00 0.64 0.91 7 T C T 97.37 2.45 9.72 13.55 104.23 78.85 -86.51 16.84 89.86 1.21 8.94 22.79 28.56 39.35 3.35 4.64 0.00 0.52 0.80 8 G C S 57.94 1.63 11.82 14.13 101.04 -95.28 83.21 -0.06 94.16 1.50 4.34 30.96 45.84 17.88 1.37 2.45 0.00 0.64 0.86 9 L C C 81.20 6.00 8.06 15.98 117.73 113.99 -89.50 145.21 92.96 3.02 4.01 67.54 22.02 2.96 3.10 1.03 0.00 1.03 2.31 10 T C C 74.66 2.08 13.48 15.84 119.70 -119.86 -78.83 162.43 91.97 1.99 6.03 82.01 7.57 1.80 5.89 0.72 0.00 0.70 1.31 11 E H H 135.46 2.64 11.17 15.48 92.79 -104.90 -59.08 -38.40 7.19 0.04 92.77 2.38 1.73 3.24 91.46 1.14 0.01 0.01 0.02 12 D H H 106.82 0.96 13.91 13.89 92.36 51.28 -65.11 -39.41 4.59 0.03 95.39 1.09 0.65 2.73 94.25 1.25 0.01 0.01 0.01 13 E H H 96.22 2.64 13.28 16.71 92.43 49.12 -66.21 -40.00 2.55 0.02 97.43 0.83 0.33 1.33 96.26 1.23 0.00 0.01 0.00 14 A H H 41.44 5.09 11.27 18.60 92.10 51.89 -64.19 -41.13 1.46 0.01 98.53 0.53 0.18 0.67 98.02 0.59 0.00 0.00 0.00 15 K H H 125.04 1.76 15.08 16.75 91.84 50.20 -64.98 -40.61 1.47 0.01 98.52 0.37 0.16 0.82 98.24 0.41 0.00 0.00 0.00 16 E H H 110.81 1.52 15.39 16.15 91.96 50.32 -64.94 -41.36 1.82 0.01 98.17 0.35 0.16 1.13 97.96 0.39 0.00 0.00 0.00 17 F H H 111.76 2.71 14.67 17.89 92.16 49.44 -64.63 -41.41 1.64 0.01 98.35 0.33 0.16 0.96 98.24 0.31 0.00 0.00 0.00 18 H H H 104.76 2.88 14.61 18.23 91.83 50.40 -64.42 -40.35 1.33 0.00 98.66 0.25 0.11 0.78 98.63 0.23 0.00 0.00 0.00 19 G H H 37.22 2.16 14.98 17.35 91.83 51.21 -64.07 -40.88 1.92 0.00 98.07 0.24 0.12 1.31 98.06 0.27 0.00 0.00 0.00 20 I H H 99.09 1.86 15.00 16.58 92.12 49.67 -64.75 -41.72 0.91 0.00 99.08 0.13 0.07 0.57 99.06 0.17 0.00 0.00 0.00 21 F H H 119.14 2.32 14.54 17.23 92.08 49.23 -64.99 -41.47 0.44 0.00 99.56 0.08 0.03 0.24 99.57 0.08 0.00 0.00 0.00 22 T H H 75.84 2.12 14.85 17.11 91.91 49.70 -64.54 -41.37 0.29 0.00 99.71 0.05 0.02 0.16 99.71 0.06 0.00 0.00 0.00 23 Q H H 104.39 1.65 15.45 16.54 91.99 49.95 -64.71 -41.11 0.22 0.00 99.78 0.03 0.01 0.13 99.78 0.05 0.00 0.00 0.00 24 S H H 56.77 2.43 14.42 17.36 91.97 50.48 -64.30 -41.33 0.27 0.00 99.73 0.03 0.01 0.17 99.74 0.05 0.00 0.00 0.00 25 M H H 99.47 2.67 14.43 17.73 92.16 50.07 -64.93 -40.72 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 26 T H H 80.22 1.76 15.24 16.67 91.84 50.48 -64.76 -41.07 0.13 0.00 99.87 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 27 M H H 109.50 1.45 15.43 16.02 91.88 49.52 -64.77 -41.71 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 28 F H H 114.62 2.53 14.23 17.40 92.14 49.40 -65.29 -41.30 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 29 F H H 114.81 2.68 14.66 17.94 92.02 49.97 -64.72 -41.00 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 30 G H H 40.85 1.50 15.86 16.44 91.66 50.39 -64.14 -41.75 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 31 I H H 98.31 1.73 15.97 17.06 92.19 49.02 -65.20 -41.82 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 32 V H H 66.50 4.20 13.71 19.49 92.09 50.24 -64.47 -41.72 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 33 I H H 96.05 2.13 15.86 17.87 91.88 49.97 -63.91 -41.99 0.11 0.00 99.89 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 34 I H H 103.40 1.22 16.84 16.35 91.95 49.37 -64.51 -41.96 0.10 0.00 99.90 0.00 0.00 0.07 99.90 0.03 0.00 0.00 0.00 35 A H H 51.21 3.15 14.33 18.58 91.91 50.32 -64.27 -41.34 0.25 0.00 99.75 0.01 0.01 0.19 99.73 0.06 0.00 0.00 0.00 36 H H H 97.24 3.88 13.92 19.10 92.13 50.24 -64.88 -40.85 0.90 0.00 99.10 0.02 0.02 0.84 99.01 0.11 0.00 0.00 0.00 37 I H H 102.65 1.39 15.39 15.80 91.95 49.55 -64.62 -41.62 0.77 0.00 99.23 0.04 0.03 0.64 99.08 0.21 0.00 0.00 0.00 38 L H H 95.64 1.54 14.58 15.58 92.12 49.49 -64.98 -40.25 1.16 0.00 98.84 0.08 0.06 0.92 97.52 1.43 0.00 0.00 0.00 39 A H H 51.12 3.56 11.52 16.85 92.34 51.85 -64.68 -39.98 1.94 0.00 98.05 0.08 0.08 1.66 94.03 4.14 0.00 0.00 0.00 40 W H H 155.73 2.05 11.89 14.72 92.81 50.35 -66.01 -37.11 3.23 0.00 96.76 0.12 0.12 2.84 89.84 7.09 0.00 0.00 0.00 41 L H H 121.95 1.02 11.84 12.46 92.99 51.24 -70.38 -31.24 14.16 0.01 85.83 0.29 0.40 13.73 79.78 5.78 0.01 0.00 0.01 42 W H H 177.72 1.51 10.14 12.19 97.91 46.70 -86.61 -13.86 34.81 0.07 65.13 1.96 2.57 29.87 59.03 6.43 0.04 0.03 0.07 43 R C G 126.51 4.31 7.31 13.46 108.46 89.20 -86.01 107.29 55.67 0.73 43.61 29.53 11.59 14.47 8.52 35.12 0.01 0.34 0.43 44 P C G 110.03 1.41 8.68 11.24 96.21 -159.88 -68.17 -17.85 57.84 0.42 41.74 14.09 6.94 36.12 5.25 37.16 0.00 0.23 0.21 45 W C T 204.34 1.08 8.46 10.14 98.30 59.61 -83.37 -3.55 61.06 0.50 38.44 24.38 3.30 33.84 4.83 33.16 0.00 0.30 0.20 46 L C C 106.55 4.49 8.96 15.19 106.71 98.62 -83.03 94.77 99.72 0.16 0.12 99.49 0.21 0.12 0.04 0.02 0.00 0.07 0.04