# 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 79.48 6.09 14.32 21.40 104.51 -139.57 -80.86 8.75 99.82 0.03 0.16 99.64 0.08 0.13 0.13 0.00 0.00 0.01 0.01 1 G C C 45.81 3.51 14.12 18.34 99.97 5.28 -56.56 -34.23 67.33 0.77 31.90 57.26 1.65 6.47 32.89 1.00 0.00 0.24 0.49 2 K H H 119.05 4.60 12.35 18.11 95.81 61.50 -69.64 -33.80 17.32 0.16 82.53 8.28 3.04 6.53 80.19 1.80 0.01 0.06 0.08 3 A H H 52.39 7.41 12.04 20.82 93.57 56.47 -65.23 -39.76 5.70 0.04 94.26 1.82 0.83 2.99 91.94 2.37 0.00 0.02 0.02 4 W H H 164.86 1.75 16.41 17.69 92.57 50.96 -65.63 -40.16 2.69 0.03 97.28 0.93 0.35 1.39 94.75 2.55 0.00 0.02 0.01 5 C H H 69.11 2.67 16.60 19.37 92.36 50.62 -65.04 -41.52 2.22 0.04 97.74 0.81 0.28 1.15 96.25 1.48 0.00 0.02 0.01 6 C H H 42.54 9.80 14.00 25.07 92.52 50.91 -65.31 -40.77 2.26 0.05 97.68 0.78 0.28 1.21 97.10 0.59 0.00 0.02 0.02 7 T H H 65.13 6.27 16.84 23.90 92.16 51.16 -64.33 -41.47 1.44 0.04 98.53 0.48 0.18 0.75 98.36 0.21 0.00 0.01 0.01 8 V H H 92.32 1.54 20.35 20.00 91.91 49.32 -64.35 -42.37 0.59 0.01 99.40 0.14 0.05 0.32 99.38 0.11 0.00 0.00 0.00 9 L H H 79.82 5.01 18.85 24.52 92.10 48.46 -65.01 -41.62 0.27 0.00 99.72 0.06 0.02 0.14 99.71 0.07 0.00 0.00 0.00 10 S H H 27.49 13.42 15.08 29.27 91.92 50.79 -64.11 -41.58 0.32 0.00 99.68 0.06 0.02 0.18 99.66 0.08 0.00 0.00 0.00 11 A H H 57.90 4.07 20.54 24.34 91.78 50.58 -64.36 -41.93 0.33 0.00 99.67 0.03 0.02 0.22 99.66 0.07 0.00 0.00 0.00 12 F H H 118.51 1.98 21.96 22.35 91.91 49.24 -64.48 -41.63 0.32 0.00 99.68 0.03 0.01 0.20 99.71 0.04 0.00 0.00 0.00 13 G H H 15.93 11.50 16.26 29.13 91.55 52.22 -63.40 -42.22 0.24 0.00 99.76 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 14 V H H 58.33 9.54 18.29 28.22 91.76 50.37 -63.82 -42.15 0.19 0.00 99.81 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 15 V H H 89.28 2.08 21.94 22.52 91.79 49.33 -64.15 -42.41 0.19 0.00 99.81 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 16 I H H 81.79 4.83 20.30 25.48 91.99 48.24 -64.73 -42.21 0.20 0.00 99.80 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 17 L H H 40.66 14.50 16.49 31.39 91.87 50.58 -64.29 -41.46 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 18 S H H 49.82 6.74 19.58 26.62 91.78 51.61 -63.97 -41.34 0.14 0.00 99.86 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 19 V H H 84.79 2.26 22.27 23.20 91.63 49.11 -64.13 -42.45 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 20 I H H 57.36 9.88 19.22 29.89 91.80 49.37 -64.31 -41.82 0.19 0.00 99.81 0.01 0.01 0.12 99.83 0.04 0.00 0.00 0.00 21 A H H 23.29 13.11 16.23 30.43 91.48 51.65 -62.59 -41.68 0.41 0.00 99.59 0.03 0.01 0.26 99.57 0.12 0.00 0.00 0.00 22 H H H 102.99 2.85 21.32 23.50 91.75 50.80 -63.59 -41.50 0.77 0.00 99.23 0.03 0.03 0.62 98.87 0.44 0.00 0.00 0.00 23 L H H 66.94 4.66 18.49 24.09 91.88 50.19 -64.39 -40.90 1.48 0.00 98.52 0.07 0.07 1.25 97.57 1.03 0.00 0.00 0.00 24 F H H 47.72 13.74 13.42 27.92 92.16 51.02 -65.21 -40.12 4.50 0.01 95.49 0.30 0.27 3.84 93.51 2.07 0.01 0.00 0.00 25 N H H 90.64 6.76 16.05 23.77 91.43 54.24 -67.81 -30.48 14.17 0.03 85.81 0.62 0.84 12.68 84.17 1.64 0.03 0.01 0.02 26 T C T 90.27 2.20 16.28 18.32 95.73 50.26 -90.24 -0.17 73.36 0.12 26.52 1.42 5.30 65.10 25.97 2.03 0.01 0.04 0.11 27 N C T 111.98 4.38 14.82 20.72 95.61 -109.29 62.48 36.13 96.22 0.08 3.70 11.90 4.67 79.62 3.24 0.49 0.00 0.03 0.05 28 H C C 74.89 8.47 11.24 21.68 108.73 164.19 -86.21 110.55 85.78 0.70 13.52 80.80 3.31 3.05 8.83 3.20 0.00 0.24 0.56 29 E H G 108.31 6.78 13.30 21.70 95.07 -162.16 -66.53 -27.14 36.16 0.55 63.29 10.78 6.13 18.43 29.24 34.78 0.04 0.26 0.36 30 S H G 70.75 3.62 14.97 19.70 92.81 65.48 -67.19 -31.00 29.15 0.66 70.19 4.58 4.14 18.09 33.18 39.18 0.14 0.35 0.34 31 F H G 100.53 7.78 13.37 22.32 94.54 53.14 -73.83 -28.01 29.16 0.95 69.89 4.01 4.69 18.30 34.08 37.61 0.30 0.51 0.49 32 V H H 58.82 10.48 11.68 23.00 100.33 47.08 -93.07 -4.46 47.34 3.41 49.25 7.61 13.06 27.03 28.53 18.63 1.27 1.49 2.39 33 G C T 49.66 3.41 14.60 18.98 102.31 -118.73 78.12 0.08 88.77 1.11 10.12 19.71 18.89 50.54 4.34 5.28 0.00 0.52 0.72 34 S C C 72.03 4.29 12.41 18.08 106.91 54.18 -96.26 34.29 89.24 1.74 9.02 32.27 28.33 28.93 2.17 6.48 0.00 0.73 1.07 35 I C S 111.22 5.20 10.87 17.55 103.71 89.74 -89.27 -10.24 90.48 2.72 6.80 35.66 35.77 19.20 1.78 4.60 0.00 1.03 1.94 36 N C C 122.58 1.84 13.19 15.78 106.67 62.42 -91.62 56.65 96.29 1.19 2.53 43.23 38.18 14.79 0.47 2.09 0.00 0.50 0.73 37 D C C 82.48 6.07 11.00 18.75 110.85 39.45 -99.71 105.27 98.46 0.92 0.63 75.46 20.96 1.93 0.22 0.40 0.00 0.36 0.67 38 P C C 80.80 7.01 10.64 19.20 99.56 -159.45 -70.51 -10.31 83.05 0.50 16.45 44.25 12.05 26.14 2.70 14.30 0.00 0.23 0.32 39 E C T 131.77 3.32 13.74 18.32 104.84 76.94 -82.72 46.63 81.16 0.60 18.24 25.24 24.27 32.10 3.65 14.04 0.00 0.24 0.46 40 D C C 87.58 4.34 15.57 20.74 106.42 -43.37 -91.39 93.22 81.71 0.54 17.75 58.03 11.96 11.69 6.98 10.65 0.00 0.20 0.49 41 G H H 20.63 15.01 11.87 26.95 95.35 -162.65 -63.75 -35.23 24.29 0.08 75.63 15.77 4.10 4.37 74.11 1.59 0.00 0.02 0.05 42 P H H 77.65 5.08 18.62 24.38 92.32 53.78 -64.21 -40.12 7.88 0.03 92.09 2.87 1.04 3.69 90.90 1.47 0.00 0.01 0.01 43 A H H 54.54 3.13 20.93 23.68 92.16 50.81 -65.15 -40.81 2.79 0.02 97.19 1.14 0.32 1.22 96.03 1.28 0.00 0.01 0.00 44 V H H 29.30 12.98 16.95 30.96 92.19 50.23 -64.36 -42.49 0.78 0.00 99.21 0.29 0.09 0.33 98.85 0.44 0.00 0.00 0.00 45 A H H 25.06 13.31 17.44 31.59 91.55 51.67 -63.04 -41.63 0.48 0.00 99.52 0.12 0.03 0.24 99.42 0.18 0.00 0.00 0.00 46 H H H 111.95 2.67 23.92 25.60 91.83 49.94 -64.71 -41.01 0.43 0.00 99.56 0.08 0.03 0.25 99.53 0.12 0.00 0.00 0.00 47 T H H 56.84 6.09 21.75 28.35 91.83 49.86 -65.04 -41.58 0.31 0.00 99.69 0.05 0.02 0.18 99.68 0.07 0.00 0.00 0.00 48 V H H 25.27 17.52 17.17 34.71 91.60 50.59 -63.81 -42.69 0.13 0.00 99.87 0.02 0.01 0.07 99.87 0.03 0.00 0.00 0.00 49 Y H H 108.57 7.43 21.70 29.35 91.57 49.62 -63.26 -42.23 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 50 L H H 93.20 2.28 24.16 24.87 91.69 49.20 -64.10 -42.10 0.08 0.00 99.92 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 51 A H H 22.76 11.57 18.34 31.27 91.37 50.23 -63.78 -41.80 0.19 0.00 99.81 0.01 0.01 0.14 99.81 0.03 0.00 0.00 0.00 52 A H H 24.74 13.73 17.69 32.16 91.43 51.41 -63.13 -41.64 0.24 0.00 99.76 0.01 0.01 0.18 99.77 0.02 0.00 0.00 0.00 53 L H H 94.73 2.44 23.11 24.36 91.40 50.23 -63.90 -41.98 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 54 V H H 70.05 4.78 21.07 26.20 91.64 49.56 -64.13 -42.49 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 55 Y H H 52.71 14.95 16.88 32.03 91.83 50.66 -64.44 -41.72 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 56 L H H 78.54 5.69 20.24 26.34 91.62 50.04 -63.66 -41.59 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 57 V H H 82.27 2.47 21.06 22.48 91.75 49.24 -64.10 -41.97 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 58 F H H 66.60 10.29 17.36 28.59 92.02 49.27 -64.85 -41.99 0.07 0.00 99.93 0.00 0.00 0.06 99.91 0.03 0.00 0.00 0.00 59 F H H 79.57 9.90 17.49 28.04 91.97 50.19 -63.86 -41.86 0.11 0.00 99.89 0.00 0.00 0.08 99.87 0.04 0.00 0.00 0.00 60 V H H 86.52 2.06 20.37 21.19 91.86 48.83 -64.26 -42.42 0.21 0.00 99.79 0.01 0.00 0.17 99.74 0.08 0.00 0.00 0.00 61 F H H 98.30 4.09 18.02 22.65 92.05 48.56 -64.93 -41.99 0.45 0.00 99.55 0.02 0.02 0.34 99.40 0.22 0.00 0.00 0.00 62 C H H 36.18 9.60 14.31 25.58 91.89 51.10 -63.94 -41.21 1.62 0.00 98.38 0.08 0.07 1.35 97.49 1.01 0.00 0.00 0.00 63 G H H 35.55 3.35 16.14 20.24 91.62 50.82 -64.29 -39.40 4.41 0.00 95.59 0.25 0.20 3.77 93.29 2.47 0.00 0.00 0.00 64 F H H 118.14 2.06 15.01 17.03 92.75 51.28 -67.01 -37.08 4.68 0.02 95.30 0.60 0.39 3.36 89.35 6.28 0.01 0.01 0.01 65 Q H H 88.70 6.09 11.07 18.72 93.25 56.13 -66.59 -35.24 8.84 0.04 91.13 0.99 0.62 6.59 80.94 10.81 0.01 0.02 0.01 66 V H H 102.40 2.89 11.21 15.37 93.40 54.13 -69.96 -28.65 25.93 0.10 73.97 1.97 1.55 21.82 65.78 8.75 0.03 0.05 0.06 67 Y H H 176.83 1.17 11.00 12.31 97.07 49.14 -83.20 -10.85 47.28 0.26 52.45 12.94 1.06 32.17 48.81 4.72 0.00 0.10 0.19 68 L C C 102.48 5.07 10.45 17.13 101.36 85.88 -77.86 7.05 99.91 0.04 0.05 99.80 0.08 0.06 0.03 0.00 0.00 0.02 0.01