# 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 S C C 79.60 3.46 11.54 16.79 118.54 -163.62 -106.69 139.03 99.88 0.10 0.02 99.77 0.10 0.05 0.01 0.00 0.00 0.04 0.02 1 T C C 103.43 2.79 8.56 13.20 107.21 -164.33 -95.62 40.47 93.72 2.11 4.17 83.85 2.23 8.17 1.39 2.20 0.00 1.25 0.90 2 G C C 54.14 2.07 9.39 12.84 112.66 -131.12 34.73 167.08 93.09 2.62 4.29 45.71 27.59 20.16 1.14 2.99 0.00 1.39 1.02 3 E C C 152.58 1.40 9.71 12.11 109.71 -70.45 -88.63 115.73 90.62 4.11 5.27 50.14 29.62 11.26 1.88 3.18 0.00 2.11 1.80 4 R C C 127.35 5.45 8.10 15.38 116.87 -130.04 -94.10 134.76 95.21 3.38 1.40 57.36 37.40 0.86 1.10 0.35 0.00 1.50 1.42 5 P C C 73.56 3.32 11.07 16.07 113.67 -107.77 -67.22 152.62 89.02 6.28 4.70 87.09 1.65 0.68 4.47 0.36 0.00 2.19 3.55 6 F H H 149.76 2.25 11.01 14.66 92.67 -112.71 -59.85 -36.37 5.92 0.03 94.05 1.63 0.91 3.25 92.69 1.48 0.01 0.01 0.02 7 S H H 67.47 2.49 12.68 16.00 92.09 54.74 -65.29 -38.06 2.28 0.01 97.71 0.45 0.24 1.42 96.26 1.62 0.00 0.01 0.00 8 D H H 75.83 3.88 13.26 18.46 92.75 51.78 -66.67 -38.50 0.75 0.01 99.24 0.23 0.08 0.38 97.54 1.77 0.00 0.00 0.00 9 I H H 87.93 3.42 13.98 18.49 92.37 51.10 -65.30 -41.62 0.65 0.01 99.34 0.15 0.06 0.37 98.59 0.82 0.00 0.01 0.00 10 I H H 91.07 2.78 15.49 18.64 92.45 48.90 -65.56 -41.44 1.24 0.04 98.72 0.30 0.14 0.73 98.39 0.40 0.00 0.02 0.01 11 T H H 61.52 4.06 14.92 20.21 92.32 49.61 -65.29 -41.43 3.58 0.06 96.36 0.96 0.49 2.01 96.17 0.32 0.00 0.03 0.02 12 S H H 52.07 3.86 15.13 20.18 92.10 51.74 -64.48 -40.94 5.72 0.07 94.21 1.84 0.72 2.84 94.27 0.28 0.00 0.02 0.03 13 V H H 81.20 2.56 16.34 18.97 91.99 49.77 -65.10 -41.50 1.86 0.02 98.12 0.70 0.22 0.80 98.11 0.15 0.00 0.01 0.00 14 R H H 126.68 3.09 16.00 19.64 92.11 50.47 -64.86 -40.93 0.84 0.01 99.14 0.28 0.07 0.43 99.08 0.12 0.00 0.01 0.00 15 Y H H 113.56 4.38 15.11 20.62 92.11 50.43 -64.88 -41.41 0.33 0.01 99.66 0.10 0.02 0.17 99.63 0.06 0.00 0.01 0.00 16 W H H 137.86 2.90 15.69 19.19 92.08 50.41 -64.70 -41.64 0.15 0.00 99.85 0.03 0.01 0.09 99.84 0.04 0.00 0.00 0.00 17 I H H 90.75 2.71 16.01 18.98 92.19 49.02 -64.69 -42.24 0.16 0.00 99.83 0.02 0.01 0.11 99.81 0.04 0.00 0.00 0.00 18 I H H 81.79 4.09 15.15 20.35 92.24 48.19 -65.40 -41.80 0.40 0.01 99.60 0.05 0.02 0.28 99.54 0.10 0.00 0.00 0.00 19 H H H 99.97 4.68 14.36 20.36 92.58 49.31 -66.68 -38.30 1.42 0.00 98.57 0.10 0.07 1.19 98.33 0.31 0.00 0.00 0.00 20 S H H 66.05 3.05 15.13 18.79 95.11 47.27 -74.48 -35.85 8.14 0.01 91.86 0.22 0.31 7.83 90.79 0.84 0.01 0.00 0.00 21 I H H 101.68 2.73 15.34 18.38 101.92 36.30 -91.16 -36.51 36.02 0.04 63.94 0.52 1.48 33.93 62.61 1.37 0.04 0.01 0.04 22 T H H 63.66 5.39 14.41 21.11 100.65 38.37 -89.44 -30.74 31.64 0.06 68.30 1.66 2.05 27.14 67.47 1.58 0.03 0.02 0.05 23 I H H 76.41 6.03 14.23 21.70 93.33 61.02 -62.91 -43.42 5.61 0.01 94.38 1.82 1.08 2.57 93.45 1.06 0.00 0.00 0.01 24 P H H 71.97 3.30 16.34 20.32 92.22 49.82 -64.38 -40.19 3.22 0.02 96.76 1.13 0.31 1.68 95.55 1.31 0.00 0.01 0.01 25 S H H 55.87 3.62 16.40 20.73 92.40 50.77 -65.65 -39.85 0.81 0.01 99.19 0.18 0.07 0.48 97.77 1.51 0.00 0.00 0.00 26 L H H 76.72 6.09 15.49 22.73 92.35 50.42 -65.42 -40.94 0.76 0.01 99.23 0.11 0.06 0.51 98.34 0.98 0.00 0.00 0.00 27 F H H 106.17 5.10 16.45 22.36 92.56 49.05 -65.69 -41.31 1.93 0.04 98.03 0.23 0.15 1.50 97.35 0.72 0.01 0.03 0.01 28 V H H 82.18 2.62 17.82 20.32 92.04 49.10 -65.00 -41.71 2.17 0.04 97.79 0.32 0.20 1.54 97.51 0.39 0.01 0.02 0.01 29 S H H 53.35 3.72 17.20 21.66 91.83 50.92 -64.35 -40.74 3.20 0.02 96.77 0.42 0.25 2.40 96.19 0.72 0.01 0.01 0.01 30 G H H 24.64 7.74 14.79 24.16 92.06 51.38 -64.47 -40.37 4.47 0.02 95.51 0.44 0.29 3.56 94.50 1.18 0.01 0.01 0.01 31 W H H 129.10 4.41 16.69 21.95 92.08 51.51 -64.66 -41.18 2.68 0.04 97.28 0.40 0.26 1.99 95.44 1.85 0.02 0.02 0.01 32 L H H 91.25 2.64 17.29 19.96 92.17 50.41 -65.29 -41.01 3.38 0.10 96.51 0.50 0.38 2.60 94.42 1.97 0.05 0.06 0.02 33 F H H 91.84 5.18 15.24 21.74 92.72 48.83 -66.03 -41.04 6.42 0.36 93.22 1.35 0.98 4.59 90.08 2.54 0.15 0.22 0.11 34 I H H 74.32 7.51 13.71 22.47 92.93 50.25 -66.06 -39.95 10.32 0.63 89.05 2.24 1.57 7.29 84.33 3.67 0.28 0.39 0.21 35 S H H 72.76 3.01 14.97 18.63 92.96 52.62 -68.78 -29.74 19.57 0.36 80.07 2.37 2.17 15.59 76.36 2.97 0.17 0.19 0.16 36 T C T 80.53 3.12 14.41 18.10 96.78 50.00 -88.00 -10.41 62.99 0.38 36.62 2.55 6.22 52.59 35.08 3.04 0.08 0.16 0.29 37 G C T 41.29 5.86 13.23 20.62 96.15 -114.57 75.54 4.85 78.57 0.47 20.96 8.41 9.10 59.58 19.75 2.63 0.02 0.20 0.30 38 L H H 86.09 4.17 14.52 19.99 96.20 113.80 -73.24 -29.79 40.86 0.84 58.30 21.99 7.05 12.98 47.62 9.49 0.03 0.42 0.42 39 A H H 40.02 7.55 12.84 22.12 95.40 57.76 -69.90 -34.83 28.12 1.41 70.47 11.03 5.44 13.12 56.66 12.13 0.19 0.89 0.55 40 Y H H 106.80 6.12 12.76 20.37 96.09 55.95 -70.73 -36.07 17.10 1.78 81.12 6.80 3.74 8.18 66.20 12.99 0.30 1.19 0.58 41 D H H 93.50 3.34 12.81 17.31 96.30 57.86 -71.80 -34.15 17.12 1.27 81.60 6.29 3.29 8.71 67.37 12.83 0.26 0.86 0.40 42 V H H 108.17 2.37 12.04 15.28 96.43 49.90 -73.78 -32.86 23.04 0.90 76.06 3.72 3.91 15.74 64.24 10.78 0.64 0.52 0.44 43 F H H 145.03 2.34 10.85 14.15 100.26 38.28 -95.63 -1.01 37.27 0.85 61.88 3.89 7.16 27.11 54.60 5.74 0.54 0.36 0.60 44 G C S 53.62 2.27 12.15 15.45 106.11 -106.65 82.71 9.82 97.53 0.96 1.51 29.12 34.66 33.97 0.57 0.77 0.00 0.47 0.43 45 T C C 81.85 4.33 10.72 16.89 120.99 90.06 -106.65 140.70 98.19 1.72 0.09 63.16 34.89 0.47 0.02 0.05 0.00 0.76 0.65 46 P C C 78.40 5.98 11.18 18.81 114.29 -105.11 -67.78 148.40 97.12 2.74 0.14 84.74 11.74 0.42 0.06 0.07 0.00 0.90 2.07 47 R C C 121.19 6.09 11.20 19.03 114.06 -116.33 -85.21 130.20 99.25 0.59 0.15 95.71 3.36 0.19 0.07 0.05 0.00 0.18 0.44 48 P H G 84.13 6.06 10.75 18.48 97.37 -128.57 -63.23 -25.32 40.33 0.58 59.09 15.93 5.18 18.70 11.09 48.53 0.00 0.32 0.24 49 N H G 116.13 3.00 11.55 15.80 97.53 59.58 -81.89 -0.73 35.30 0.47 64.23 7.33 4.92 21.87 13.76 51.66 0.00 0.27 0.19 50 E H G 122.49 3.41 11.93 16.78 100.71 86.98 -81.98 -3.94 32.86 0.93 66.21 10.40 6.82 16.01 13.28 52.58 0.01 0.54 0.35 51 Y C C 119.31 6.75 10.58 18.69 107.22 57.92 -98.45 46.83 55.67 4.76 39.57 25.73 14.60 17.03 13.22 24.39 0.11 2.32 2.60 52 F C C 90.97 8.38 8.39 18.18 117.91 77.80 -105.13 132.04 88.03 7.86 4.10 63.29 21.31 2.43 2.76 1.45 0.00 2.88 5.87 53 T C C 72.82 3.37 11.07 15.95 119.99 -153.58 -98.52 160.92 93.31 3.04 3.65 80.44 10.16 2.44 2.61 1.15 0.00 1.51 1.69 54 Q C T 140.47 1.73 10.14 12.99 95.64 -105.56 -62.45 -33.43 56.18 0.83 42.99 9.56 13.66 32.47 21.91 21.26 0.08 0.38 0.68 55 D C T 117.63 1.11 10.60 11.81 95.92 53.97 -76.57 -14.17 56.54 0.61 42.85 9.46 10.78 35.27 21.56 22.07 0.05 0.29 0.51 56 R C G 126.26 5.69 8.55 15.68 99.75 59.48 -85.48 0.10 50.11 2.13 47.75 20.54 10.70 19.33 22.71 24.44 0.07 1.01 1.19 57 Q C C 115.11 4.27 9.87 15.80 99.05 92.17 -77.84 -12.26 64.95 2.29 32.75 34.96 12.63 17.60 21.01 11.48 0.02 1.17 1.12 58 Q C C 136.36 1.70 12.27 14.53 103.87 67.19 -88.20 19.39 74.55 4.10 21.35 39.43 16.07 19.67 12.16 8.66 0.02 2.58 1.42 59 V C C 84.21 5.74 9.16 16.69 116.14 96.13 -96.70 131.03 91.82 4.10 4.08 56.84 33.74 1.51 3.38 0.84 0.00 2.58 1.11 60 P C C 80.53 5.05 11.43 18.22 112.38 -112.42 -68.00 145.48 83.02 11.12 5.86 79.21 2.46 1.51 4.82 1.20 0.00 6.99 3.81 61 L C C 113.64 3.97 10.80 16.48 112.05 -137.59 -87.83 129.26 67.51 17.55 14.94 50.63 11.74 4.68 12.32 3.61 0.07 10.16 6.81 62 V C C 89.03 5.79 8.92 16.32 113.54 -142.76 -94.42 125.26 54.93 18.02 27.05 40.64 8.80 5.66 21.82 5.76 0.11 13.03 4.16 63 N C C 108.20 2.98 11.29 15.72 111.12 -164.52 -94.66 115.86 54.66 6.86 38.48 33.00 11.64 10.82 30.80 7.25 0.09 4.88 1.52 64 D C H 94.21 3.06 12.52 16.51 107.72 -20.64 -83.10 100.36 52.39 2.56 45.05 30.14 9.76 13.31 36.90 7.49 0.04 1.52 0.84 65 R H H 132.58 5.86 10.97 18.27 95.16 65.59 -68.16 -32.11 30.35 0.97 68.68 13.05 6.45 12.05 59.38 8.08 0.07 0.55 0.38 66 F H H 125.38 2.81 13.37 16.89 94.79 55.50 -70.75 -34.51 28.15 0.90 70.95 11.21 6.13 12.10 63.22 6.42 0.07 0.49 0.37 67 S H H 55.42 2.99 14.80 18.40 94.96 53.76 -68.61 -35.16 31.85 0.60 67.55 20.44 4.85 7.08 63.74 3.37 0.01 0.28 0.23 68 A H H 38.63 7.03 11.75 20.82 93.01 61.36 -63.52 -40.81 6.38 0.08 93.55 3.37 1.06 2.12 92.20 1.19 0.00 0.03 0.02 69 K H H 116.30 3.28 15.12 19.24 92.65 51.28 -65.12 -40.54 2.28 0.03 97.69 0.88 0.31 1.05 96.92 0.82 0.00 0.01 0.00 70 Q H H 103.94 1.62 16.12 16.91 92.25 50.03 -65.40 -40.52 1.66 0.03 98.31 0.64 0.20 0.79 97.57 0.77 0.00 0.02 0.00 71 E H H 92.37 3.24 14.59 18.79 92.18 50.85 -64.95 -40.87 1.26 0.02 98.71 0.49 0.14 0.58 98.28 0.48 0.00 0.01 0.00 72 L H H 73.69 4.63 12.69 19.01 91.98 50.36 -64.47 -41.03 1.03 0.02 98.96 0.37 0.10 0.49 98.63 0.39 0.00 0.01 0.00 73 E H H 111.04 1.79 13.83 15.74 91.80 50.87 -64.55 -40.28 1.36 0.01 98.63 0.37 0.12 0.74 98.30 0.46 0.00 0.01 0.00 74 D H H 93.66 1.44 13.09 14.40 92.26 50.66 -65.78 -38.58 3.20 0.02 96.78 0.62 0.28 2.08 96.20 0.81 0.00 0.01 0.00 75 L H H 100.88 2.83 10.65 14.81 93.44 51.25 -67.91 -35.74 7.05 0.03 92.92 1.17 0.67 4.77 92.40 0.96 0.01 0.01 0.01 76 T H H 97.16 2.16 9.87 13.21 95.99 51.90 -77.29 -20.24 22.59 0.18 77.23 4.75 2.77 14.33 76.99 0.97 0.02 0.06 0.11 77 K C H 154.46 1.33 9.38 11.56 99.87 62.87 -81.39 -6.72 56.93 0.33 42.74 25.86 2.69 25.71 44.44 0.98 0.00 0.10 0.21 78 G C C 53.52 2.54 11.38 15.34 109.61 -98.22 65.52 146.77 99.94 0.02 0.04 99.49 0.18 0.29 0.02 0.00 0.00 0.01 0.00