# 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 95.49 7.01 11.85 20.15 110.89 -148.67 -88.52 127.61 99.63 0.16 0.22 99.46 0.15 0.12 0.14 0.01 0.00 0.06 0.04 1 L C C 105.29 3.58 11.10 16.07 101.36 -149.71 -77.34 -16.70 52.59 1.31 46.10 46.59 1.38 4.80 44.43 1.66 0.00 0.60 0.54 2 C H H 80.74 3.25 10.11 14.81 96.75 68.69 -68.20 -34.59 32.85 0.76 66.39 22.99 4.41 5.91 63.80 2.26 0.00 0.38 0.25 3 Q H H 109.22 3.23 11.35 15.94 95.05 56.10 -68.34 -35.38 16.31 0.61 83.08 11.44 2.31 3.74 79.00 2.98 0.00 0.38 0.15 4 Q H H 100.11 3.45 11.72 16.53 94.14 55.54 -67.88 -38.31 9.49 0.48 90.03 6.21 1.46 2.70 86.23 2.95 0.00 0.34 0.10 5 M H H 105.95 3.11 12.84 16.98 94.01 52.86 -67.77 -38.71 8.58 0.58 90.84 5.46 1.26 2.64 87.69 2.40 0.01 0.42 0.11 6 I H H 92.75 3.88 13.15 18.23 93.66 52.36 -67.03 -39.88 8.23 0.56 91.21 5.32 1.28 2.39 88.86 1.65 0.01 0.39 0.10 7 R H H 129.69 3.53 14.09 18.65 93.39 51.91 -67.33 -39.42 8.91 0.58 90.52 5.70 1.35 2.50 88.67 1.28 0.01 0.40 0.09 8 T H H 71.82 3.96 14.22 19.19 93.78 51.41 -67.97 -39.43 9.04 0.44 90.52 5.62 1.31 2.72 88.62 1.35 0.01 0.29 0.08 9 T H H 73.01 3.93 14.32 19.30 93.58 51.51 -66.81 -39.19 9.26 0.31 90.42 5.24 1.39 3.16 88.35 1.58 0.01 0.19 0.08 10 A H H 58.28 4.15 13.63 19.10 93.41 52.33 -66.79 -38.71 12.52 0.38 87.09 6.66 1.91 4.61 84.37 2.11 0.01 0.22 0.11 11 K H H 118.54 3.55 13.91 18.55 93.77 52.08 -68.14 -36.47 18.71 0.70 80.58 10.22 3.01 6.52 77.13 2.48 0.02 0.40 0.22 12 R H H 134.84 3.82 13.28 18.28 94.97 52.37 -71.51 -32.54 26.71 0.80 72.49 15.57 4.11 8.02 69.05 2.53 0.01 0.41 0.29 13 S H H 65.17 4.43 12.40 18.23 95.99 56.79 -72.13 -27.53 41.32 0.71 57.97 26.80 5.00 9.48 55.31 2.78 0.00 0.34 0.28 14 S C H 70.63 3.62 11.91 16.80 98.32 57.69 -75.00 -22.38 52.40 0.93 46.66 34.82 5.49 11.50 44.10 3.24 0.00 0.48 0.36 15 N C H 104.80 3.20 11.39 15.90 100.43 55.37 -84.50 -2.56 55.53 1.74 42.73 35.84 7.41 12.29 39.04 3.85 0.01 0.95 0.61 16 I C H 106.71 4.16 10.15 15.88 102.75 69.27 -83.00 -6.51 53.21 3.41 43.38 35.28 8.32 10.21 38.87 4.24 0.03 1.99 1.07 17 M C H 124.31 3.22 11.09 15.57 102.76 62.61 -81.68 13.27 54.99 3.35 41.66 36.33 8.89 10.00 37.36 4.39 0.02 2.06 0.95 18 T C H 89.68 3.62 11.09 16.17 104.13 60.60 -88.69 4.59 51.96 2.67 45.37 34.73 8.52 9.14 40.76 4.45 0.01 1.65 0.72 19 R H H 142.34 3.95 11.07 16.57 109.91 68.55 -91.17 106.89 38.37 1.98 59.65 24.34 8.37 7.22 53.01 5.32 0.02 1.22 0.49 20 P H H 82.03 4.70 11.44 17.64 110.41 -113.84 -73.71 130.09 37.43 2.27 60.29 26.19 5.60 6.86 53.41 5.83 0.01 1.61 0.50 21 I H H 102.03 4.87 11.30 17.64 107.61 -131.82 -83.97 96.11 34.79 3.26 61.96 25.41 5.14 5.95 54.18 6.22 0.02 2.43 0.65 22 I H H 99.64 5.36 11.29 18.15 109.53 62.43 -89.48 111.91 37.47 4.26 58.27 27.93 5.05 6.04 51.42 5.51 0.02 3.16 0.86 23 M H H 114.91 4.89 11.53 17.94 107.70 54.16 -86.27 96.21 42.92 4.93 52.16 30.65 5.83 7.74 45.11 6.02 0.03 3.43 1.19 24 K C H 133.70 4.14 11.85 17.49 108.51 79.68 -91.11 104.07 50.68 4.85 44.47 32.13 7.96 11.40 37.40 6.58 0.05 3.01 1.47 25 R C C 146.20 4.88 11.55 18.01 110.25 94.61 -89.90 116.50 63.83 3.52 32.65 34.10 12.68 17.45 25.15 7.30 0.05 1.94 1.33 26 S C C 71.94 5.46 12.18 19.10 109.87 -127.72 -90.26 101.64 75.60 3.72 20.69 44.02 14.09 17.68 13.76 6.83 0.02 2.15 1.46 27 V C C 79.43 8.05 11.36 20.75 117.93 127.38 -101.24 131.30 77.03 9.64 13.33 52.21 15.51 9.19 8.30 5.26 0.03 5.71 3.79 28 H C C 115.79 5.92 12.82 20.29 117.57 -158.41 -104.70 130.63 77.12 14.59 8.29 58.59 11.38 6.14 4.94 3.79 0.01 8.69 6.45 29 F C C 92.92 9.46 9.21 19.82 117.63 -154.96 -100.63 129.55 82.90 10.70 6.40 68.18 8.75 5.09 3.46 3.12 0.00 6.57 4.83 30 K C T 156.39 1.94 13.04 15.77 99.34 -156.36 -78.46 -23.39 88.78 3.24 7.97 26.53 20.05 43.04 2.84 4.46 0.01 1.83 1.25 31 D C T 110.06 2.08 12.19 15.17 113.55 30.15 -115.92 63.35 90.43 1.45 8.13 16.50 27.87 46.61 2.23 5.27 0.00 0.72 0.79 32 G C S 32.89 5.21 13.67 20.15 126.75 21.37 107.33 -168.18 80.96 4.09 14.95 26.53 43.48 11.68 3.99 9.66 0.02 1.66 2.97 33 V C T 87.24 6.64 13.77 21.47 97.20 -39.40 -69.18 -18.67 65.27 1.93 32.80 6.67 8.95 48.87 3.86 29.48 0.03 1.17 0.97 34 Y C T 91.79 11.85 12.44 24.60 95.61 44.66 -76.67 4.72 64.02 1.65 34.33 7.12 7.13 48.69 4.08 31.19 0.02 1.00 0.77 35 E C T 104.33 6.59 15.59 23.55 94.26 97.28 -67.34 -23.00 64.58 2.26 33.16 14.88 9.00 40.65 4.86 28.24 0.03 1.26 1.08 36 N C T 87.24 6.67 15.69 23.45 97.41 49.58 -99.29 7.25 79.64 2.38 17.97 16.53 15.88 47.31 3.06 14.68 0.01 1.25 1.29 37 I C C 46.74 13.68 10.68 25.29 116.57 109.50 -81.98 133.98 93.20 5.78 1.02 47.95 43.37 1.81 0.43 0.51 0.00 1.92 4.01 38 P C S 77.30 6.29 16.16 23.78 94.91 -127.10 -67.95 -16.57 92.98 2.86 4.16 30.61 36.50 26.31 1.10 2.81 0.00 1.43 1.23 39 F C S 88.72 9.71 12.71 23.43 120.20 56.84 -108.06 135.89 84.65 9.32 6.03 29.89 34.60 20.85 1.74 3.78 0.04 3.98 5.13 40 K C C 144.12 3.09 16.02 20.22 109.34 -134.40 -85.90 105.54 89.68 4.93 5.40 74.26 10.61 4.54 2.17 3.21 0.00 2.75 2.47 41 V C C 60.59 12.34 8.88 21.47 111.65 -162.99 -95.90 115.84 86.15 5.69 8.16 72.28 7.33 5.98 3.69 4.34 0.00 2.99 3.38 42 K C C 150.89 2.16 12.67 15.98 111.23 -144.07 -89.01 128.53 87.97 3.22 8.80 47.60 18.69 22.13 3.21 5.09 0.00 1.53 1.75 43 G C C 49.71 3.27 12.08 16.69 112.80 20.55 103.01 157.49 88.17 2.00 9.83 34.59 27.65 26.60 3.35 5.75 0.00 0.84 1.21 44 R C C 148.87 4.36 10.18 16.18 107.43 111.41 -88.07 49.88 84.09 2.13 13.79 40.39 26.97 17.25 7.50 5.58 0.01 0.83 1.47 45 K C C 129.34 3.59 11.07 16.25 106.70 63.33 -82.25 44.99 76.48 1.88 21.65 41.15 23.52 12.03 16.98 4.29 0.01 0.65 1.36 46 T H H 83.87 3.33 12.25 16.68 97.97 51.29 -67.10 -39.49 41.59 0.66 57.75 20.07 10.32 13.04 50.82 5.11 0.03 0.28 0.34 47 P H H 83.79 2.53 13.88 16.93 94.11 50.56 -66.39 -33.28 33.20 0.52 66.28 12.89 4.94 16.49 59.88 5.24 0.04 0.28 0.24 48 Y H H 105.91 5.98 12.57 19.94 95.03 52.08 -70.10 -35.73 21.05 0.56 78.39 8.50 3.43 10.43 71.38 5.63 0.06 0.31 0.26 49 A H H 44.58 6.67 13.03 21.37 92.20 58.07 -63.15 -41.18 7.61 0.13 92.26 3.72 1.18 3.05 90.05 1.88 0.01 0.07 0.05 50 L H H 99.70 2.08 16.70 18.46 92.17 50.39 -64.77 -40.84 1.90 0.02 98.08 0.59 0.23 1.00 97.14 1.02 0.00 0.01 0.00 51 S H H 55.30 3.88 16.44 21.15 92.39 49.96 -65.56 -40.56 1.42 0.02 98.56 0.32 0.13 0.89 97.73 0.91 0.00 0.01 0.00 52 H H H 73.28 8.71 15.08 24.84 92.17 50.20 -65.28 -41.13 1.43 0.02 98.56 0.25 0.13 1.00 97.78 0.83 0.01 0.01 0.00 53 F H H 104.14 4.96 17.11 22.77 92.11 50.53 -64.58 -41.69 1.09 0.01 98.91 0.16 0.09 0.76 98.45 0.52 0.00 0.00 0.00 54 G H H 35.17 2.93 17.80 20.87 91.81 50.81 -64.17 -41.66 1.59 0.01 98.39 0.17 0.11 1.25 97.71 0.75 0.01 0.00 0.00 55 F H H 95.13 5.76 17.32 23.85 92.53 49.27 -65.53 -41.60 2.02 0.01 97.97 0.13 0.13 1.76 96.98 0.99 0.01 0.00 0.00 56 F H H 84.46 8.96 16.42 25.89 92.30 49.21 -65.30 -41.33 4.28 0.02 95.70 0.21 0.25 3.86 94.22 1.40 0.03 0.01 0.01 57 A H H 56.83 4.13 17.96 22.45 92.28 50.28 -65.27 -41.11 7.06 0.02 92.92 0.31 0.40 6.37 91.09 1.79 0.03 0.01 0.01 58 I H H 96.52 2.80 19.13 21.56 93.09 47.46 -68.06 -39.51 6.72 0.03 93.26 0.39 0.49 5.67 87.58 5.82 0.03 0.01 0.01 59 G H H 24.56 9.47 15.89 26.34 93.12 51.15 -66.59 -36.83 12.98 0.02 87.00 0.44 0.52 11.75 76.92 10.31 0.03 0.01 0.01 60 F H H 90.20 9.62 16.68 26.59 94.26 45.37 -75.83 -27.17 31.01 0.05 68.94 0.68 1.23 28.54 57.85 11.60 0.04 0.02 0.04 61 A H H 55.30 4.80 18.29 23.71 93.24 59.29 -66.22 -37.39 12.05 0.04 87.91 0.70 0.93 10.14 83.45 4.70 0.04 0.01 0.03 62 V H H 76.12 3.90 19.16 23.37 92.39 53.25 -64.39 -43.24 1.17 0.00 98.83 0.16 0.10 0.68 98.72 0.33 0.00 0.00 0.00 63 P H H 45.85 10.08 16.70 27.56 92.27 49.34 -64.67 -40.19 0.56 0.00 99.44 0.07 0.03 0.35 99.27 0.28 0.00 0.00 0.00 64 F H H 92.91 7.59 18.09 25.94 92.15 50.29 -64.77 -41.79 0.13 0.00 99.87 0.01 0.00 0.08 99.76 0.15 0.00 0.00 0.00 65 V H H 84.23 2.34 20.30 21.78 91.83 49.47 -64.31 -42.35 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.03 0.00 0.00 0.00 66 A H H 45.20 5.12 18.17 24.11 91.67 50.06 -63.89 -41.65 0.08 0.00 99.92 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 67 C H H 39.17 9.80 16.00 26.68 91.87 50.65 -64.11 -41.59 0.17 0.00 99.83 0.01 0.00 0.13 99.83 0.03 0.00 0.00 0.00 68 Y H H 113.47 4.52 18.03 22.92 91.66 50.43 -63.38 -41.95 0.17 0.00 99.83 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 69 V H H 78.70 2.32 18.15 20.00 91.65 49.46 -64.10 -42.18 0.25 0.00 99.75 0.02 0.01 0.18 99.73 0.06 0.00 0.00 0.00 70 Q H H 75.88 6.07 15.40 22.34 92.17 49.78 -65.08 -40.66 0.72 0.00 99.28 0.06 0.04 0.55 99.22 0.13 0.00 0.00 0.00 71 L H H 72.11 6.79 13.55 21.23 91.96 50.02 -65.61 -40.28 2.38 0.00 97.61 0.22 0.19 1.80 97.45 0.34 0.00 0.00 0.00 72 K H H 134.00 1.81 14.31 16.31 92.27 49.99 -67.21 -37.92 7.08 0.03 92.89 0.88 0.69 5.27 92.43 0.70 0.01 0.01 0.01 73 K H H 134.23 2.03 12.52 15.15 94.77 52.25 -70.49 -31.46 18.75 0.14 81.11 2.97 2.43 13.40 79.64 1.39 0.04 0.05 0.08 74 S H H 67.12 4.53 10.40 16.23 97.42 53.92 -80.27 -9.34 44.40 0.32 55.28 5.86 5.81 32.82 52.63 2.49 0.06 0.12 0.21 75 G C T 56.23 2.28 11.19 14.67 99.47 -71.89 67.59 6.85 70.67 0.73 28.61 15.30 8.92 46.15 25.30 3.59 0.02 0.30 0.42 76 A C C 73.65 3.64 9.12 14.46 103.33 115.48 -80.37 12.71 89.66 0.83 9.51 70.72 2.16 17.49 6.88 1.84 0.00 0.42 0.48 77 F C C 132.78 5.33 11.50 18.12 104.95 97.38 -84.59 32.11 99.88 0.09 0.02 99.77 0.11 0.06 0.01 0.00 0.00 0.04 0.01