# 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 115.21 5.90 15.90 22.79 106.77 46.20 -90.78 56.09 99.94 0.06 0.00 99.90 0.06 0.01 0.00 0.00 0.00 0.03 0.00 1 A C C 43.97 10.42 14.87 26.19 119.35 -139.38 -92.61 145.15 78.55 21.41 0.04 77.63 0.58 0.15 0.00 0.02 0.00 21.26 0.35 2 T E E 54.70 10.21 19.28 30.12 123.62 -148.92 -113.62 139.27 16.54 83.44 0.02 14.31 1.31 0.07 0.00 0.02 0.00 84.08 0.20 3 V E E 7.72 23.04 15.97 39.42 122.96 -159.17 -116.28 134.01 0.86 99.14 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.16 0.01 4 K E E 69.09 9.65 26.82 37.04 117.82 -152.38 -104.60 129.59 0.23 99.77 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 5 V E E 2.45 26.67 17.43 45.29 122.13 -164.45 -116.66 130.89 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 6 T E E 36.90 9.57 26.95 37.43 121.71 -166.92 -117.57 132.78 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 7 L E E 21.85 21.51 16.40 37.92 110.59 -122.87 -77.28 125.58 3.62 96.37 0.01 3.44 0.14 0.01 0.00 0.00 0.00 96.34 0.07 8 V E E 62.63 8.69 21.70 31.08 101.46 177.26 -96.78 -27.15 48.60 50.52 0.88 29.94 16.97 1.54 0.25 0.49 0.00 50.24 0.58 9 K C S 89.86 7.12 20.96 28.77 136.38 7.68 -144.10 153.42 70.79 26.96 2.25 30.22 37.78 3.71 0.73 1.25 0.00 25.10 1.20 10 S C C 45.99 11.91 16.25 28.36 117.88 -109.44 -80.55 147.20 87.98 9.21 2.81 78.96 6.39 2.46 0.81 1.90 0.00 8.31 1.18 11 L C C 70.00 13.57 13.68 27.48 96.42 -137.56 -80.74 -8.00 80.73 3.72 15.55 41.42 18.28 21.13 2.79 12.63 0.00 1.80 1.96 12 N C T 110.50 3.91 15.60 21.10 107.59 102.81 -74.62 117.55 85.04 1.31 13.64 11.07 18.60 54.93 2.19 11.68 0.00 0.70 0.83 13 G C T 55.78 2.80 16.31 19.76 98.19 18.30 85.74 0.50 87.18 1.17 11.64 22.98 21.16 42.84 1.68 10.11 0.00 0.57 0.66 14 R C C 72.28 16.37 9.07 24.41 120.58 118.20 -85.19 148.18 94.53 2.44 3.03 65.20 26.58 2.16 1.78 1.04 0.00 0.64 2.59 15 L C C 81.00 5.37 16.21 22.72 115.11 -102.18 -69.20 149.94 98.01 0.55 1.44 91.14 6.27 0.52 1.34 0.15 0.00 0.14 0.43 16 A H H 82.51 2.61 15.53 19.33 91.38 -111.54 -56.83 -39.61 1.93 0.00 98.07 0.27 0.24 1.15 97.70 0.63 0.00 0.00 0.00 17 N H H 94.20 4.31 18.17 23.42 91.57 52.67 -64.15 -37.88 1.47 0.00 98.52 0.18 0.11 1.01 97.91 0.79 0.00 0.00 0.00 18 H H H 25.16 19.40 15.42 34.37 92.30 49.14 -66.07 -41.12 0.63 0.00 99.36 0.16 0.05 0.33 98.90 0.56 0.00 0.00 0.00 19 K H H 74.95 13.71 18.86 32.14 91.40 52.06 -62.25 -42.05 0.20 0.00 99.80 0.04 0.01 0.09 99.75 0.11 0.00 0.00 0.00 20 A H H 52.80 3.03 24.49 26.61 91.37 50.69 -63.81 -41.70 0.32 0.00 99.68 0.03 0.01 0.22 99.63 0.10 0.00 0.00 0.00 21 C H H 16.15 15.68 20.74 36.79 91.96 50.31 -64.12 -43.56 0.46 0.00 99.54 0.04 0.02 0.33 99.45 0.17 0.00 0.00 0.00 22 V H H 2.84 25.92 16.98 43.19 91.38 49.49 -63.68 -43.16 0.54 0.01 99.46 0.06 0.03 0.36 98.99 0.54 0.00 0.00 0.00 23 K H H 122.27 5.63 22.73 29.50 91.27 51.15 -62.85 -40.44 1.41 0.00 98.59 0.07 0.04 1.19 96.88 1.81 0.00 0.00 0.00 24 G H H 40.50 5.61 21.89 28.13 90.92 55.85 -66.47 -28.33 8.62 0.00 91.37 0.12 0.18 8.84 89.20 1.64 0.01 0.00 0.00 25 L C T 18.03 20.57 15.89 36.53 92.51 54.48 -83.00 -9.32 69.36 0.05 30.59 0.44 1.50 67.32 28.92 1.76 0.01 0.01 0.04 26 G C T 36.96 4.94 24.59 30.58 97.62 -112.20 83.53 18.59 99.44 0.02 0.54 3.13 1.51 94.96 0.29 0.08 0.00 0.01 0.01 27 L C C 11.53 23.95 9.46 32.73 111.58 158.47 -77.81 123.00 99.00 0.55 0.45 98.30 0.60 0.31 0.19 0.09 0.00 0.15 0.36 28 R C C 163.64 2.18 20.36 22.69 101.12 172.83 -101.24 -19.51 99.32 0.31 0.37 83.76 14.24 1.28 0.13 0.18 0.00 0.10 0.30 29 R C S 130.27 2.36 21.10 23.06 134.39 33.78 -132.35 158.90 91.44 7.74 0.83 19.69 67.73 2.52 0.24 0.45 0.00 0.95 8.42 30 I C T 89.90 10.22 14.02 25.15 111.47 -85.92 -62.78 137.66 98.79 0.69 0.52 0.55 5.87 92.46 0.02 0.49 0.00 0.34 0.27 31 N C T 106.62 4.64 17.86 23.84 92.30 15.16 68.94 15.25 99.59 0.25 0.16 1.04 4.79 93.75 0.00 0.21 0.00 0.19 0.03 32 H C C 76.75 8.31 17.27 26.98 120.18 128.20 -95.36 143.81 82.35 17.55 0.10 69.41 12.67 0.37 0.01 0.12 0.00 15.44 1.96 33 T E E 59.91 14.13 16.46 30.41 125.98 -152.66 -110.81 143.44 17.38 82.61 0.01 17.57 0.20 0.01 0.00 0.00 0.00 81.12 1.09 34 V E E 28.92 15.76 17.88 34.24 127.17 -169.14 -126.20 143.11 2.98 97.02 0.00 2.81 0.06 0.00 0.00 0.00 0.00 97.09 0.04 35 E E E 94.77 10.12 21.09 31.70 118.25 -146.57 -106.48 128.45 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 36 V E E 21.89 18.40 14.98 33.54 127.04 -175.32 -126.89 142.20 2.29 97.71 0.00 2.28 0.03 0.00 0.00 0.00 0.00 97.58 0.11 37 Q E E 103.25 4.05 22.70 26.70 115.26 -110.28 -73.64 141.49 45.38 54.57 0.04 39.06 3.97 0.30 0.00 0.04 0.00 56.32 0.31 38 D C C 52.74 17.35 11.90 28.62 107.30 -111.78 -73.17 116.74 97.18 2.74 0.08 69.35 26.97 1.08 0.01 0.08 0.00 2.27 0.23 39 T C C 52.79 4.73 17.57 23.50 132.53 155.72 -131.25 166.69 99.50 0.19 0.30 78.99 20.31 0.23 0.27 0.03 0.00 0.05 0.13 40 P H H 108.69 1.81 14.98 17.31 90.73 -99.88 -59.26 -37.03 4.79 0.00 95.20 0.31 0.62 3.77 94.26 1.03 0.01 0.00 0.00 41 E H H 128.88 1.94 17.45 19.33 91.92 52.58 -64.51 -40.06 3.47 0.00 96.53 0.23 0.30 2.87 95.39 1.20 0.01 0.00 0.00 42 N H H 16.49 19.30 12.69 31.75 92.51 47.45 -66.69 -40.55 1.21 0.01 98.78 0.20 0.13 0.76 97.89 1.02 0.00 0.00 0.00 43 R H H 94.18 12.25 17.53 29.81 91.49 53.68 -62.25 -41.71 0.21 0.00 99.79 0.03 0.02 0.11 99.75 0.10 0.00 0.00 0.00 44 G H H 35.45 2.36 22.61 23.69 91.22 50.49 -63.00 -41.82 0.16 0.00 99.84 0.02 0.00 0.09 99.84 0.05 0.00 0.00 0.00 45 M H H 42.90 12.82 20.03 33.31 91.92 50.12 -64.85 -41.75 0.12 0.00 99.88 0.01 0.00 0.07 99.85 0.07 0.00 0.00 0.00 46 I H H 6.13 24.70 15.75 40.51 91.32 51.01 -63.24 -42.40 0.17 0.00 99.83 0.01 0.00 0.11 99.74 0.13 0.00 0.00 0.00 47 N H H 87.92 5.18 22.60 28.30 91.19 52.46 -63.66 -37.95 1.78 0.00 98.21 0.05 0.04 1.71 97.65 0.56 0.00 0.00 0.00 48 K H H 107.15 4.92 22.16 27.28 91.72 51.37 -67.18 -34.45 8.34 0.00 91.65 0.09 0.18 8.86 89.78 1.07 0.01 0.00 0.00 49 A H H 4.33 23.92 14.46 38.63 95.38 48.26 -88.20 -14.35 16.88 0.09 83.03 1.25 1.37 14.16 76.75 6.33 0.04 0.05 0.04 50 Y H G 100.07 15.04 17.14 31.63 91.82 88.99 -59.35 -35.40 13.86 0.14 86.00 0.82 0.81 11.76 14.95 71.51 0.01 0.11 0.03 51 Y H G 156.61 2.71 22.20 24.89 90.60 59.25 -71.44 -18.42 24.15 0.11 75.74 0.43 1.07 23.34 7.01 68.04 0.00 0.07 0.05 52 L H G 41.01 15.61 17.28 32.99 97.09 49.23 -98.86 -7.00 28.38 0.93 70.69 1.17 2.16 25.73 5.53 64.36 0.01 0.92 0.12 53 L E E 11.87 24.63 12.07 36.24 122.81 86.06 -102.45 140.32 10.20 89.61 0.18 8.43 1.89 0.16 0.06 0.10 0.00 88.78 0.57 54 R E E 122.48 5.32 24.26 30.27 124.00 -166.38 -120.21 138.24 1.86 98.11 0.02 1.55 0.14 0.03 0.01 0.01 0.00 98.20 0.06 55 V E E 47.11 18.98 12.22 30.20 119.04 -148.97 -106.52 128.19 3.18 96.80 0.02 2.76 0.27 0.05 0.01 0.01 0.00 96.64 0.26 56 E E E 110.19 4.78 15.83 22.11 121.37 -171.43 -114.32 137.21 21.06 78.90 0.04 20.44 0.34 0.07 0.01 0.02 0.00 78.66 0.46 57 G C C 52.65 3.17 15.93 20.01 113.93 -20.78 80.12 -119.41 98.88 1.12 0.00 98.82 0.18 0.02 0.00 0.00 0.00 0.95 0.03