# 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 124.54 3.73 10.63 15.93 114.44 -151.28 -92.79 132.74 99.88 0.08 0.04 99.75 0.13 0.05 0.02 0.00 0.00 0.03 0.01 1 A C C 77.02 3.12 8.57 13.42 110.38 -128.81 -79.26 138.06 83.13 1.19 15.67 76.78 1.35 5.67 13.04 1.96 0.00 0.56 0.63 2 S C C 83.24 2.08 9.06 12.48 107.88 -130.03 -83.45 121.10 71.57 1.38 27.04 48.49 10.56 11.82 23.37 4.38 0.00 0.60 0.77 3 N H H 115.96 2.34 9.45 13.09 103.10 -57.59 -80.96 0.99 47.39 0.97 51.65 22.84 11.88 14.87 42.72 6.72 0.04 0.41 0.52 4 N H H 105.92 2.95 10.11 14.43 100.71 83.72 -77.53 -16.73 38.47 0.77 60.77 17.67 8.94 14.02 52.07 6.51 0.06 0.35 0.40 5 T H H 88.05 2.73 11.52 15.34 97.10 63.96 -72.89 -30.73 29.26 0.67 70.07 14.67 6.68 9.75 63.33 4.92 0.03 0.31 0.30 6 A H H 62.18 2.95 12.24 16.24 95.95 61.00 -69.41 -37.03 27.38 0.54 72.08 15.90 5.44 6.91 68.66 2.64 0.01 0.24 0.21 7 S H H 61.80 2.80 13.35 16.90 95.68 54.06 -69.47 -39.55 20.64 0.38 78.98 13.36 3.64 4.45 76.73 1.51 0.00 0.16 0.15 8 I H H 96.41 2.87 13.45 17.12 93.26 50.79 -65.94 -40.58 5.02 0.06 94.92 2.46 0.87 1.81 94.07 0.73 0.00 0.03 0.02 9 A H H 57.17 2.16 14.74 17.13 91.93 51.30 -63.90 -41.33 2.65 0.03 97.33 1.16 0.35 1.11 96.82 0.54 0.00 0.01 0.01 10 Q H H 102.03 2.00 15.52 17.37 92.12 49.56 -65.46 -40.54 1.99 0.02 97.99 0.80 0.25 0.88 97.65 0.41 0.00 0.01 0.00 11 A H H 52.03 3.38 14.04 18.65 91.97 51.05 -64.02 -41.15 1.30 0.01 98.69 0.47 0.13 0.59 98.55 0.24 0.00 0.00 0.00 12 R H H 138.38 2.13 15.58 17.87 91.74 50.61 -64.18 -40.51 0.85 0.00 99.14 0.26 0.08 0.42 99.10 0.14 0.00 0.00 0.00 13 K H H 121.83 1.67 16.11 17.16 92.02 50.28 -65.14 -41.02 0.70 0.00 99.29 0.18 0.06 0.37 99.29 0.11 0.00 0.00 0.00 14 L H H 87.22 2.32 15.57 18.03 91.96 49.93 -64.51 -41.73 0.56 0.00 99.44 0.12 0.05 0.30 99.44 0.09 0.00 0.00 0.00 15 V H H 74.31 3.01 14.95 18.65 91.87 49.51 -64.14 -41.82 0.43 0.00 99.57 0.09 0.04 0.23 99.58 0.07 0.00 0.00 0.00 16 E H H 102.99 2.01 15.81 17.63 91.67 50.43 -63.88 -41.23 0.45 0.00 99.55 0.08 0.03 0.25 99.55 0.07 0.00 0.00 0.00 17 Q H H 102.87 1.73 15.63 16.88 91.91 50.19 -64.63 -41.06 0.65 0.00 99.35 0.11 0.05 0.39 99.33 0.12 0.00 0.00 0.00 18 L H H 90.55 2.54 14.53 17.57 91.97 50.32 -64.80 -40.63 0.87 0.00 99.13 0.16 0.07 0.52 99.05 0.20 0.00 0.00 0.00 19 K H H 122.09 2.28 14.80 17.50 91.86 50.69 -64.11 -40.34 1.48 0.01 98.51 0.27 0.12 0.92 98.26 0.42 0.00 0.00 0.00 20 M H H 110.22 1.60 15.36 16.39 92.17 49.77 -65.41 -40.48 3.19 0.01 96.80 0.52 0.27 2.15 96.15 0.90 0.00 0.00 0.00 21 E H H 112.81 1.86 14.98 16.62 92.41 49.96 -66.41 -38.29 7.38 0.03 92.59 1.22 0.75 5.06 91.56 1.38 0.01 0.01 0.01 22 A H H 53.65 3.90 12.79 18.19 93.06 54.30 -67.83 -35.21 23.05 0.14 76.81 4.05 2.77 15.97 75.00 2.05 0.03 0.05 0.09 23 N H H 94.22 2.78 14.50 17.80 95.72 55.48 -71.82 -26.14 43.40 0.31 56.29 11.79 4.37 26.95 53.89 2.67 0.02 0.12 0.19 24 I H H 97.23 2.60 14.14 17.17 94.96 65.96 -68.28 -39.81 27.75 0.35 71.90 12.37 5.98 10.07 69.00 2.27 0.02 0.13 0.17 25 D H H 86.06 2.70 14.43 17.61 95.11 51.65 -68.20 -39.28 19.87 0.23 79.90 11.28 2.74 6.05 77.92 1.82 0.00 0.10 0.09 26 R H H 139.55 2.74 14.12 17.58 93.36 51.86 -65.90 -39.29 8.76 0.11 91.13 4.06 1.38 3.57 89.19 1.71 0.01 0.05 0.04 27 I H H 97.66 2.04 15.18 17.17 92.34 50.89 -65.38 -41.26 5.03 0.09 94.88 2.35 0.78 2.07 93.58 1.14 0.00 0.04 0.03 28 K H H 116.41 2.30 15.98 18.32 92.28 50.16 -65.08 -40.53 4.18 0.08 95.74 2.05 0.62 1.72 94.68 0.86 0.01 0.04 0.02 29 V H H 75.00 3.68 15.05 19.70 92.24 49.87 -64.88 -41.77 2.43 0.03 97.54 1.04 0.35 1.04 97.08 0.46 0.00 0.01 0.01 30 S H H 57.81 2.83 16.27 19.52 91.94 50.79 -64.45 -41.10 1.94 0.02 98.04 0.76 0.23 0.87 97.81 0.32 0.00 0.01 0.01 31 K H H 123.20 1.77 17.84 18.77 92.18 49.68 -65.59 -40.97 1.39 0.01 98.60 0.42 0.17 0.73 98.43 0.24 0.00 0.00 0.00 32 A H H 50.50 3.25 16.33 20.23 91.98 50.36 -64.00 -41.72 1.16 0.01 98.84 0.33 0.12 0.60 98.75 0.19 0.00 0.00 0.00 33 A H H 49.42 4.15 15.72 21.16 91.80 50.64 -63.70 -41.02 0.73 0.00 99.26 0.17 0.06 0.38 99.27 0.12 0.00 0.00 0.00 34 A H H 57.51 2.47 17.04 19.49 91.64 50.80 -63.88 -40.96 0.43 0.00 99.57 0.07 0.03 0.24 99.59 0.07 0.00 0.00 0.00 35 D H H 89.08 1.78 17.61 18.49 92.09 49.77 -65.23 -40.63 0.50 0.00 99.50 0.07 0.03 0.29 99.55 0.06 0.00 0.00 0.00 36 L H H 82.84 4.05 15.71 20.80 91.85 50.33 -64.53 -41.52 0.33 0.00 99.67 0.04 0.02 0.19 99.69 0.05 0.00 0.00 0.00 37 M H H 92.74 4.35 15.70 21.20 91.77 50.67 -63.81 -41.28 0.23 0.00 99.77 0.03 0.01 0.13 99.78 0.05 0.00 0.00 0.00 38 A H H 60.87 1.71 17.37 18.05 91.63 50.41 -63.69 -41.68 0.34 0.00 99.66 0.03 0.01 0.22 99.65 0.08 0.00 0.00 0.00 39 Y H H 125.07 2.14 16.95 18.70 92.03 49.54 -64.47 -41.61 0.56 0.00 99.44 0.05 0.03 0.39 99.39 0.14 0.00 0.00 0.00 40 C H H 43.91 7.81 12.64 22.33 92.09 50.18 -64.63 -40.65 0.78 0.00 99.22 0.08 0.04 0.54 99.12 0.22 0.00 0.00 0.00 41 E H H 115.18 2.86 15.63 19.22 91.67 51.39 -64.42 -39.23 1.65 0.00 98.35 0.10 0.08 1.27 97.98 0.56 0.00 0.00 0.00 42 A H H 71.08 1.28 16.60 16.36 92.15 50.97 -66.73 -36.08 7.68 0.00 92.32 0.17 0.26 7.36 91.20 1.00 0.01 0.00 0.00 43 H H H 98.15 4.30 13.76 19.36 97.94 39.25 -94.95 -9.99 23.44 0.03 76.53 0.90 1.10 21.55 74.40 1.99 0.02 0.01 0.02 44 A H G 36.55 11.06 9.12 21.29 92.53 87.47 -62.17 -34.22 21.39 0.12 78.49 2.56 1.65 15.77 25.18 54.69 0.00 0.07 0.06 45 K H G 157.66 1.29 14.19 15.53 91.74 58.09 -69.46 -25.03 28.99 0.07 70.94 1.01 1.38 26.38 12.08 59.06 0.00 0.04 0.05 46 E H G 150.25 0.95 14.14 14.01 97.08 45.65 -94.70 -6.84 30.83 0.11 69.05 1.67 3.02 25.15 7.01 63.02 0.00 0.05 0.07 47 D C C 52.62 9.35 7.65 18.36 111.41 89.91 -97.14 111.21 99.66 0.24 0.10 76.08 23.34 0.19 0.04 0.04 0.00 0.05 0.26 48 P C T 101.91 2.45 12.12 16.04 92.18 -154.31 -64.61 -22.86 77.26 0.13 22.60 1.77 3.58 69.77 0.97 23.77 0.00 0.06 0.07 49 L C T 110.10 3.58 11.76 16.85 92.86 65.23 -76.33 -11.61 77.36 0.33 22.30 1.61 3.90 70.40 1.17 22.59 0.00 0.18 0.15 50 L C G 82.10 8.27 9.79 19.13 97.63 66.95 -84.70 -3.81 64.09 4.42 31.49 22.56 20.01 21.76 2.39 28.80 0.03 2.01 2.44 51 T C C 88.14 3.26 12.96 17.74 117.39 92.58 -100.89 132.66 92.36 3.94 3.70 39.93 37.72 14.63 0.73 3.14 0.00 1.91 1.93 52 P C C 98.03 3.71 12.62 17.92 112.70 -107.55 -70.51 138.46 98.01 1.14 0.85 48.52 37.55 11.75 0.11 0.96 0.00 0.58 0.53 53 V C C 59.49 9.27 8.50 19.19 118.53 -141.31 -102.90 134.67 97.77 2.06 0.16 61.18 36.35 0.39 0.07 0.08 0.00 0.72 1.22 54 P C C 77.54 2.10 15.13 17.15 113.09 -107.50 -65.16 145.05 97.88 1.85 0.27 96.54 1.22 0.26 0.09 0.11 0.00 0.64 1.14 55 A H G 68.30 7.76 8.46 17.61 92.48 -121.68 -59.47 -32.63 39.50 0.30 60.20 3.31 4.18 28.28 1.38 62.60 0.00 0.16 0.10 56 S H G 96.44 0.76 12.68 12.74 92.01 60.85 -72.00 -16.49 38.66 0.12 61.22 1.18 2.43 31.24 1.24 63.80 0.00 0.07 0.04 57 E H G 131.03 2.10 12.54 15.24 97.86 50.42 -90.71 -8.56 33.70 0.31 66.00 2.70 4.99 22.94 1.43 67.68 0.00 0.16 0.09 58 N C C 43.28 10.82 8.23 20.25 112.23 75.49 -110.20 106.15 99.22 0.41 0.37 70.03 28.64 0.44 0.22 0.13 0.00 0.09 0.46 59 P C T 82.35 4.03 13.79 19.50 92.64 -159.20 -63.18 -26.28 66.07 0.21 33.72 5.66 5.62 53.61 16.62 18.18 0.01 0.10 0.21 60 F C T 102.92 6.89 12.53 20.88 93.40 61.60 -74.41 -17.38 61.34 0.49 38.17 5.10 5.87 48.27 21.22 18.83 0.06 0.24 0.41 61 R H H 114.91 6.64 12.91 21.04 93.62 77.82 -65.31 -34.94 44.76 1.37 53.87 21.81 9.60 13.87 30.09 23.22 0.03 0.66 0.72 62 E H H 108.49 4.13 14.42 19.65 93.75 58.91 -69.30 -34.29 48.03 1.60 50.37 29.68 7.95 10.56 35.42 14.83 0.02 0.82 0.73 63 K H H 111.13 5.87 13.96 21.09 95.93 57.38 -71.41 -31.81 47.76 1.54 50.69 28.99 8.94 10.40 39.54 10.65 0.02 0.80 0.65 64 K H H 113.57 5.67 14.67 21.53 94.40 66.64 -67.93 -35.00 48.47 1.50 50.03 31.07 7.75 10.08 41.79 7.90 0.01 0.82 0.59 65 F H H 101.95 6.00 15.14 22.26 95.43 53.70 -69.72 -35.59 41.97 1.78 56.26 27.85 6.91 8.38 47.70 7.54 0.02 1.01 0.59 66 F H H 94.20 7.48 15.01 23.64 94.53 55.03 -68.09 -38.58 34.43 2.19 63.38 21.86 5.86 8.23 54.27 7.76 0.03 1.37 0.62 67 C H H 57.18 7.30 14.20 22.88 94.46 54.53 -68.40 -37.23 26.76 3.11 70.13 16.91 4.61 7.06 59.19 9.23 0.05 2.30 0.64 68 A H H 57.06 4.54 15.84 21.50 93.42 59.16 -65.61 -39.30 19.61 4.95 75.44 11.48 3.59 6.18 63.55 10.01 0.09 4.44 0.67 69 I H H 82.67 6.22 15.12 22.46 93.69 50.91 -67.50 -38.15 19.66 7.43 72.90 10.71 3.72 6.91 61.62 9.05 0.18 6.87 0.95 70 L H H 79.81 7.64 13.39 22.32 93.85 53.77 -70.60 -32.74 27.63 6.92 65.45 14.47 5.65 9.86 55.24 7.73 0.25 5.46 1.35 71 G C H 45.73 4.75 13.64 19.64 96.10 56.55 -68.96 -25.93 49.46 4.00 46.54 23.15 8.26 19.06 39.95 5.72 0.11 2.63 1.12 72 S C C 74.13 3.88 12.64 17.85 99.53 60.83 -82.34 -9.19 63.99 3.58 32.43 27.38 13.42 23.91 26.13 5.82 0.07 1.96 1.32 73 A C T 73.65 4.78 10.66 17.04 104.60 74.97 -81.60 16.84 75.82 3.29 20.88 27.36 21.29 28.18 14.99 5.09 0.05 1.61 1.44 74 G C C 54.71 2.58 11.66 15.57 106.22 -22.99 74.98 4.64 87.80 3.39 8.81 39.79 24.45 24.49 3.89 4.23 0.01 1.80 1.34 75 S C C 80.35 3.28 10.06 15.03 108.52 77.05 -84.52 112.33 85.80 5.46 8.74 60.18 14.29 11.35 3.57 5.01 0.00 3.19 2.39 76 A C C 84.58 2.90 8.78 13.53 108.38 -126.57 -88.02 93.59 82.67 6.81 10.52 44.92 17.47 21.26 3.76 6.12 0.01 4.02 2.45 77 G C C 56.33 2.35 9.11 13.17 111.90 -106.38 -38.79 155.48 84.07 7.66 8.27 43.65 18.27 23.34 2.40 5.21 0.01 4.89 2.24 78 S C C 90.68 1.82 8.91 12.28 112.54 -109.62 -93.47 129.90 89.53 5.60 4.86 80.03 2.41 8.06 1.58 2.17 0.00 3.82 1.93 79 A C C 85.88 2.88 10.23 14.86 106.18 -126.37 -82.85 78.08 99.81 0.18 0.02 99.73 0.11 0.04 0.01 0.00 0.00 0.09 0.02