# 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 A C C 69.57 5.74 15.76 22.53 108.38 -142.75 -85.96 60.07 99.96 0.04 0.00 99.85 0.10 0.02 0.00 0.00 0.00 0.02 0.00 1 K C C 103.56 8.84 15.46 25.03 118.16 -140.83 -97.20 137.77 83.41 16.54 0.05 82.13 0.75 0.23 0.01 0.03 0.00 16.45 0.39 2 T E E 49.96 10.78 18.08 29.74 123.12 -152.95 -112.37 139.53 19.35 80.63 0.02 16.79 1.56 0.08 0.00 0.02 0.00 81.27 0.28 3 I E E 10.07 22.24 16.04 38.70 122.13 -158.79 -115.66 132.95 1.07 98.93 0.00 1.00 0.03 0.00 0.00 0.00 0.00 98.94 0.02 4 K E E 73.77 9.39 26.27 36.12 117.98 -152.27 -104.37 128.73 0.32 99.68 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 5 I E E 4.15 25.90 17.10 43.93 120.91 -165.81 -115.41 129.54 0.27 99.73 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.76 0.00 6 T E E 40.46 9.28 26.19 36.18 121.39 -166.84 -116.09 132.39 0.54 99.46 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.47 0.01 7 Q E E 30.17 20.58 15.62 35.92 110.57 -126.66 -80.71 125.25 7.14 92.83 0.03 6.60 0.38 0.04 0.01 0.01 0.00 92.83 0.13 8 T C E 65.76 7.50 21.08 29.18 101.95 177.91 -98.76 -23.53 54.75 44.29 0.97 38.35 14.44 1.65 0.31 0.54 0.00 43.88 0.83 9 R C C 112.91 6.21 19.67 26.74 133.94 19.66 -139.19 151.63 70.86 25.10 4.03 36.88 30.79 4.75 1.59 2.14 0.01 22.00 1.84 10 S C C 54.01 11.18 15.51 27.01 116.65 -112.18 -80.69 145.83 84.59 9.75 5.66 72.57 7.98 4.00 2.01 3.44 0.00 8.55 1.45 11 A C C 46.78 12.88 14.17 27.34 97.63 -142.53 -83.94 -6.27 79.01 5.00 15.99 51.26 14.83 12.96 3.38 12.65 0.00 2.82 2.10 12 I C T 101.95 6.46 14.50 22.60 111.79 106.08 -75.84 128.65 81.53 3.64 14.83 22.17 20.39 39.88 2.93 10.99 0.02 1.91 1.72 13 G C T 56.29 2.68 16.82 19.96 97.59 16.74 82.49 1.80 88.25 1.89 9.86 28.62 22.32 37.55 1.55 8.15 0.00 0.98 0.83 14 R C C 75.95 15.17 9.44 24.04 121.01 120.54 -87.71 147.63 94.79 3.02 2.18 56.39 35.74 2.11 1.06 0.93 0.00 0.76 3.00 15 L C C 79.25 5.41 15.39 22.14 114.25 -101.29 -68.55 146.76 99.45 0.18 0.37 94.20 5.06 0.18 0.34 0.03 0.00 0.05 0.13 16 P H H 101.09 2.73 14.54 18.59 91.44 -112.95 -56.55 -39.73 2.23 0.00 97.76 0.27 0.21 1.46 97.31 0.73 0.00 0.00 0.00 17 K H H 130.67 2.70 17.63 20.86 91.23 52.61 -64.24 -38.28 1.53 0.00 98.46 0.17 0.10 1.08 97.81 0.83 0.00 0.00 0.00 18 H H H 30.33 17.73 14.75 32.27 92.32 48.56 -66.03 -40.98 0.73 0.01 99.26 0.19 0.07 0.38 98.65 0.69 0.00 0.01 0.00 19 K H H 73.46 14.06 17.43 31.15 91.37 52.28 -61.97 -42.20 0.33 0.00 99.67 0.08 0.03 0.15 99.59 0.15 0.00 0.00 0.00 20 A H H 57.36 2.58 23.68 24.88 91.47 50.41 -63.96 -41.41 0.52 0.00 99.48 0.06 0.02 0.34 99.39 0.17 0.00 0.00 0.00 21 T H H 27.18 12.68 20.55 33.88 92.02 49.91 -64.65 -43.14 0.67 0.00 99.32 0.08 0.04 0.46 99.15 0.27 0.00 0.00 0.00 22 L H H 3.26 25.78 15.92 42.02 91.48 49.62 -63.68 -43.36 0.77 0.01 99.22 0.13 0.06 0.48 98.48 0.84 0.00 0.01 0.00 23 L H H 91.31 7.97 21.37 29.92 91.48 50.82 -63.24 -40.62 1.73 0.01 98.26 0.12 0.08 1.40 96.45 1.94 0.00 0.01 0.00 24 G H H 45.49 3.88 21.65 25.87 90.58 56.23 -65.41 -28.04 10.18 0.01 89.81 0.20 0.27 10.18 87.73 1.60 0.01 0.00 0.00 25 L C T 26.04 18.40 15.86 34.56 92.29 54.58 -84.32 -5.95 74.42 0.06 25.53 0.51 1.70 72.23 23.82 1.65 0.01 0.02 0.06 26 G C T 37.15 4.97 24.13 30.09 97.89 -110.13 87.27 15.76 99.28 0.02 0.70 2.30 1.70 95.46 0.40 0.12 0.00 0.01 0.01 27 L C C 11.74 23.64 10.09 33.23 110.04 151.92 -81.92 118.54 98.96 0.48 0.56 98.03 0.73 0.43 0.24 0.11 0.00 0.14 0.33 28 R C C 155.78 3.08 20.17 24.00 100.98 164.73 -102.55 -15.18 99.30 0.34 0.36 88.10 9.92 1.27 0.14 0.17 0.00 0.12 0.30 29 R C S 132.73 2.46 21.24 23.56 131.00 43.94 -127.95 158.08 91.07 8.36 0.57 24.18 63.99 1.36 0.22 0.25 0.00 1.02 8.99 30 I C T 95.85 9.98 14.03 24.99 111.08 -88.19 -61.56 135.28 98.56 0.98 0.46 0.52 4.41 93.81 0.02 0.39 0.00 0.45 0.39 31 G C T 46.72 4.52 17.84 23.55 94.31 21.96 82.73 -3.79 99.67 0.22 0.12 0.77 3.74 95.16 0.00 0.14 0.00 0.16 0.02 32 H C C 79.97 7.84 17.11 26.43 118.08 128.65 -84.06 143.39 86.18 13.73 0.08 76.86 9.01 0.24 0.01 0.09 0.00 12.37 1.42 33 T E E 61.92 13.91 15.60 29.52 125.47 -150.97 -110.73 141.50 15.21 84.78 0.01 15.36 0.20 0.01 0.00 0.01 0.00 83.20 1.22 34 V E E 37.37 13.70 17.58 32.23 128.46 -171.90 -129.97 143.51 3.11 96.89 0.00 2.84 0.09 0.00 0.00 0.00 0.00 97.02 0.04 35 E E E 99.22 10.43 18.66 29.81 120.34 -147.98 -110.05 130.69 0.57 99.43 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.44 0.02 36 R E E 70.37 13.64 15.45 29.65 129.89 -177.80 -130.72 145.37 4.21 95.79 0.01 4.10 0.08 0.00 0.00 0.00 0.00 95.61 0.20 37 E C E 112.79 4.18 20.34 24.90 115.30 -104.82 -72.10 145.35 53.38 46.50 0.12 42.77 7.58 0.96 0.01 0.13 0.00 48.21 0.35 38 D C C 61.10 15.66 11.63 26.84 107.01 -107.34 -71.10 117.61 97.89 1.94 0.18 67.03 29.15 1.90 0.03 0.18 0.00 1.48 0.23 39 T C C 53.99 5.16 15.92 22.67 130.38 159.65 -130.02 161.41 99.42 0.21 0.37 86.89 12.34 0.18 0.36 0.04 0.00 0.05 0.14 40 P H H 110.39 1.53 15.01 16.68 91.12 -103.81 -59.54 -36.06 2.79 0.00 97.21 0.22 0.36 2.04 96.90 0.47 0.00 0.00 0.00 41 A H H 65.92 2.91 16.71 20.07 91.90 53.77 -64.58 -39.89 1.44 0.00 98.56 0.11 0.11 1.13 98.14 0.50 0.00 0.00 0.00 42 I H H 16.67 19.43 12.48 31.71 92.33 47.76 -65.82 -41.68 0.33 0.00 99.67 0.04 0.03 0.21 99.44 0.28 0.00 0.00 0.00 43 R H H 101.43 10.73 17.46 28.57 91.41 52.66 -61.99 -41.70 0.08 0.00 99.92 0.01 0.00 0.04 99.90 0.04 0.00 0.00 0.00 44 G H H 37.31 2.17 21.80 22.56 91.44 50.49 -63.41 -41.66 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 45 M H H 49.36 12.71 19.40 32.46 91.92 50.22 -65.13 -41.02 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.04 0.00 0.00 0.00 46 I H H 11.39 23.18 15.53 38.36 91.44 51.52 -63.17 -42.33 0.14 0.00 99.86 0.01 0.00 0.09 99.79 0.10 0.00 0.00 0.00 47 N H H 95.70 4.20 21.96 26.69 91.26 52.24 -63.58 -36.85 1.38 0.00 98.62 0.04 0.03 1.33 98.23 0.38 0.00 0.00 0.00 48 A H H 54.16 5.53 20.53 26.58 91.82 52.26 -67.27 -32.89 6.18 0.00 93.81 0.07 0.13 6.51 92.62 0.67 0.00 0.00 0.00 49 V H H 9.06 22.58 14.25 36.87 96.98 46.33 -94.39 -10.90 16.82 0.10 83.08 1.19 1.45 14.27 78.68 4.24 0.06 0.05 0.05 50 S H G 48.31 14.22 15.72 29.86 91.91 96.82 -59.43 -31.88 23.33 0.23 76.44 1.39 1.22 19.92 13.85 63.39 0.01 0.16 0.06 51 F H G 150.95 2.20 20.94 22.74 90.49 60.53 -72.08 -16.31 34.30 0.15 65.55 0.61 1.51 32.76 5.36 59.59 0.00 0.09 0.07 52 M H G 55.99 13.92 16.38 30.62 97.99 49.46 -100.14 -7.43 36.65 0.93 62.42 1.41 2.72 32.91 3.50 58.51 0.01 0.80 0.14 53 V E E 13.59 23.72 11.20 34.27 124.56 79.40 -111.26 141.57 9.13 90.73 0.14 7.53 1.78 0.16 0.05 0.07 0.00 89.47 0.94 54 K E E 113.12 4.41 23.35 28.34 123.04 -163.72 -114.94 137.23 2.30 97.68 0.02 2.05 0.12 0.02 0.01 0.00 0.00 97.71 0.09 55 V E E 53.93 17.68 11.28 28.02 120.06 -153.17 -110.02 130.00 5.42 94.55 0.03 5.01 0.31 0.05 0.01 0.01 0.00 94.22 0.39 56 E E E 108.36 4.36 14.27 20.34 122.57 -168.85 -113.95 142.00 28.68 71.27 0.05 28.36 0.32 0.07 0.01 0.02 0.00 70.73 0.49 57 E C C 141.85 3.17 14.03 19.06 110.85 -110.26 -75.00 133.29 99.04 0.96 0.00 99.12 0.05 0.01 0.00 0.00 0.00 0.81 0.01