# 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 101.25 6.18 11.83 19.33 110.68 -150.56 -88.07 125.56 99.91 0.03 0.07 99.86 0.05 0.04 0.03 0.00 0.00 0.01 0.00 1 A C C 67.15 3.10 11.45 15.71 107.11 -123.44 -73.81 150.73 52.89 0.66 46.45 45.25 1.07 6.98 44.00 2.11 0.00 0.28 0.33 2 L H H 115.02 2.93 10.03 14.33 94.73 -75.43 -66.46 -36.26 28.51 0.43 71.06 13.79 5.30 11.02 65.85 3.60 0.03 0.19 0.21 3 F H H 136.50 2.30 12.09 15.05 93.73 53.63 -67.94 -37.73 16.66 0.32 83.03 8.34 3.08 6.48 76.93 4.85 0.02 0.16 0.13 4 T H H 75.49 2.87 13.36 17.07 93.45 51.76 -67.40 -39.19 13.34 0.28 86.38 7.37 2.30 4.53 81.24 4.29 0.01 0.15 0.11 5 S H H 54.25 5.08 13.59 19.82 94.10 50.90 -67.18 -39.42 12.69 0.34 86.97 6.50 2.13 5.04 82.94 3.07 0.02 0.18 0.13 6 L H H 82.82 5.46 14.90 21.31 92.92 51.49 -66.11 -41.20 7.43 0.23 92.35 3.02 1.30 3.65 90.00 1.82 0.03 0.10 0.09 7 V H H 85.42 3.16 17.05 20.37 92.64 49.93 -65.32 -41.19 5.13 0.09 94.78 1.50 0.76 3.01 93.33 1.30 0.03 0.04 0.04 8 G H H 36.25 3.35 17.30 21.14 92.59 49.79 -64.62 -42.03 6.04 0.04 93.92 1.13 0.65 4.21 92.56 1.40 0.01 0.02 0.02 9 A H H 50.50 5.68 16.77 23.26 92.43 49.79 -65.40 -41.33 5.82 0.02 94.16 0.73 0.51 4.43 93.00 1.30 0.01 0.01 0.01 10 S H H 47.97 6.78 16.80 24.61 92.26 51.33 -64.84 -40.88 6.48 0.01 93.51 0.59 0.46 5.19 92.88 0.86 0.01 0.00 0.01 11 G H H 37.82 3.44 19.11 22.53 92.32 50.52 -64.61 -41.59 3.33 0.00 96.67 0.37 0.27 2.39 96.43 0.53 0.00 0.00 0.00 12 L H H 92.59 2.93 19.58 22.18 92.26 49.58 -64.97 -41.32 0.69 0.00 99.30 0.09 0.05 0.42 99.28 0.16 0.00 0.00 0.00 13 G H H 25.22 7.82 16.58 25.70 92.03 50.90 -63.91 -42.39 0.43 0.00 99.57 0.05 0.02 0.27 99.55 0.10 0.00 0.00 0.00 14 F H H 98.66 5.63 18.53 24.74 92.21 49.61 -64.49 -41.34 0.21 0.00 99.79 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 15 A H H 57.74 2.78 19.27 21.78 91.97 51.07 -63.66 -42.10 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.04 0.00 0.00 0.00 16 T H H 65.10 3.97 18.18 22.58 91.86 49.97 -64.45 -41.88 0.42 0.00 99.58 0.03 0.01 0.30 99.59 0.06 0.00 0.00 0.00 17 K H H 87.21 7.60 16.56 25.06 92.03 50.06 -64.54 -40.91 0.94 0.00 99.06 0.05 0.04 0.77 99.04 0.11 0.00 0.00 0.00 18 F H H 103.65 4.42 17.16 22.23 91.99 50.33 -64.26 -41.66 0.85 0.00 99.15 0.07 0.04 0.61 99.05 0.22 0.00 0.00 0.00 19 L H H 93.53 2.14 17.65 19.16 92.00 49.94 -64.28 -41.37 1.28 0.00 98.72 0.13 0.08 0.92 98.07 0.79 0.00 0.00 0.00 20 S H H 48.76 4.59 14.48 20.46 92.00 50.96 -65.47 -39.95 3.88 0.01 96.11 0.31 0.23 3.09 94.80 1.55 0.00 0.00 0.00 21 N H H 65.44 6.37 12.30 20.27 92.82 50.80 -69.25 -34.76 10.47 0.04 89.50 1.24 0.94 8.06 86.76 2.93 0.02 0.01 0.02 22 K H H 129.00 2.58 13.04 16.55 93.35 55.69 -66.91 -34.66 25.29 0.16 74.55 4.18 2.63 18.65 69.55 4.76 0.05 0.07 0.10 23 I H H 125.93 1.60 12.00 13.91 94.74 54.32 -73.57 -25.51 40.62 0.55 58.83 8.13 5.97 27.61 51.79 5.79 0.12 0.24 0.35 24 R C T 148.82 2.90 10.40 14.74 100.79 58.13 -85.61 8.69 65.69 0.97 33.33 17.96 15.32 32.88 27.99 4.81 0.04 0.38 0.62 25 L C C 132.19 2.08 11.52 14.99 102.37 -120.87 -1.88 59.43 89.67 0.54 9.79 40.59 12.12 37.43 6.71 2.59 0.00 0.22 0.34 26 K C C 116.37 5.07 9.38 16.51 118.87 169.09 -92.56 139.83 98.31 0.63 1.05 67.99 28.73 1.63 0.54 0.40 0.00 0.20 0.51 27 P C C 85.66 3.94 10.91 16.48 111.80 -102.54 -66.50 145.08 97.01 0.72 2.26 90.68 3.59 2.86 0.65 1.38 0.00 0.29 0.55 28 A C T 82.96 3.45 9.70 14.87 102.53 -124.97 -70.34 5.93 76.12 0.64 23.24 23.86 13.10 37.50 2.04 22.79 0.00 0.28 0.42 29 G C T 55.89 2.37 11.24 14.23 101.52 43.97 -77.24 -1.98 75.31 0.58 24.11 16.54 14.26 43.18 2.15 23.21 0.00 0.26 0.39 30 Y C C 151.33 3.85 10.65 16.18 104.20 97.60 -88.69 8.48 75.80 0.69 23.51 35.15 22.12 16.69 2.85 22.34 0.00 0.28 0.58 31 Y C C 124.55 4.62 11.21 17.45 109.82 49.30 -105.71 100.47 95.76 0.27 3.98 72.79 20.98 2.02 2.98 0.89 0.00 0.07 0.27 32 P H H 79.55 6.14 11.39 19.40 94.62 -162.79 -62.63 -33.53 35.60 0.16 64.24 17.62 4.46 13.85 59.42 4.46 0.00 0.06 0.12 33 L H H 114.30 1.65 14.90 16.36 92.46 55.81 -65.16 -37.98 16.99 0.05 82.96 3.12 1.76 11.69 79.19 4.17 0.01 0.02 0.03 34 G H H 31.18 3.75 14.48 19.64 92.51 51.81 -64.71 -39.14 7.64 0.03 92.32 1.91 0.87 4.55 88.61 4.03 0.01 0.02 0.01 35 Y H H 81.07 9.56 12.81 23.64 92.52 52.08 -65.47 -40.68 3.55 0.03 96.42 1.27 0.45 1.69 94.44 2.12 0.00 0.01 0.01 36 V H H 76.44 4.46 16.48 21.96 91.90 50.28 -64.30 -41.91 1.37 0.01 98.62 0.32 0.13 0.78 97.94 0.82 0.00 0.00 0.00 37 F H H 129.12 1.47 19.38 19.10 91.79 48.96 -64.52 -41.91 0.75 0.00 99.25 0.12 0.06 0.48 98.88 0.46 0.00 0.00 0.00 38 S H H 47.87 4.89 17.08 23.11 91.73 49.40 -64.72 -41.42 0.90 0.00 99.10 0.11 0.06 0.63 98.79 0.41 0.00 0.00 0.00 39 G H H 21.11 9.41 14.59 25.67 91.57 50.99 -63.88 -41.69 1.20 0.00 98.79 0.12 0.07 0.91 98.45 0.44 0.00 0.00 0.00 40 V H H 83.91 3.05 18.64 21.70 92.08 49.47 -64.83 -41.33 1.59 0.00 98.41 0.13 0.09 1.29 98.01 0.48 0.00 0.00 0.00 41 A H H 63.75 1.89 19.54 20.05 92.07 49.48 -64.50 -42.23 1.30 0.00 98.70 0.11 0.08 1.00 98.38 0.42 0.00 0.00 0.00 42 W H H 121.23 5.29 17.54 23.58 92.31 48.67 -65.70 -41.07 1.73 0.00 98.27 0.14 0.10 1.39 97.81 0.56 0.00 0.00 0.00 43 A H H 41.74 7.68 15.46 24.67 91.91 50.86 -64.08 -41.47 1.88 0.00 98.12 0.14 0.11 1.51 97.79 0.45 0.00 0.00 0.00 44 G H H 39.93 2.26 18.93 20.45 91.97 50.18 -64.05 -41.63 1.30 0.00 98.70 0.13 0.09 0.95 98.57 0.26 0.00 0.00 0.00 45 L H H 94.55 1.99 19.25 20.10 91.93 49.46 -64.57 -41.61 0.54 0.00 99.46 0.04 0.03 0.37 99.45 0.11 0.00 0.00 0.00 46 G H H 23.12 7.18 14.69 23.78 92.07 51.29 -63.46 -41.67 0.41 0.00 99.59 0.04 0.02 0.26 99.60 0.08 0.00 0.00 0.00 47 L H H 84.61 4.08 16.68 21.55 92.04 50.61 -64.31 -41.42 0.24 0.00 99.76 0.02 0.01 0.15 99.76 0.06 0.00 0.00 0.00 48 V H H 90.43 1.58 17.96 18.26 91.97 49.91 -64.52 -41.71 0.25 0.00 99.75 0.02 0.01 0.17 99.74 0.06 0.00 0.00 0.00 49 L H H 85.41 2.92 16.47 19.78 92.08 49.59 -64.67 -41.25 0.36 0.00 99.64 0.03 0.01 0.25 99.63 0.08 0.00 0.00 0.00 50 H H H 86.54 5.25 14.83 21.43 92.07 50.70 -64.57 -40.92 0.51 0.00 99.49 0.05 0.03 0.35 99.50 0.08 0.00 0.00 0.00 51 N H H 85.68 2.43 16.41 18.87 92.02 50.52 -64.49 -40.79 1.16 0.00 98.84 0.13 0.06 0.81 98.88 0.11 0.00 0.00 0.00 52 V H H 83.34 1.94 16.43 17.90 91.87 50.14 -64.46 -41.91 0.89 0.00 99.11 0.20 0.08 0.51 99.10 0.11 0.00 0.00 0.00 53 H H H 104.76 2.86 15.84 19.17 92.42 49.23 -65.21 -40.98 0.74 0.00 99.26 0.22 0.07 0.37 99.24 0.09 0.00 0.00 0.00 54 Q H H 96.96 2.54 15.99 18.75 92.20 50.00 -64.18 -41.37 0.71 0.00 99.29 0.19 0.06 0.37 99.28 0.09 0.00 0.00 0.00 55 H H H 111.26 1.79 16.40 17.60 92.00 49.43 -64.45 -40.88 0.70 0.00 99.30 0.18 0.05 0.36 99.30 0.10 0.00 0.00 0.00 56 S H H 55.53 2.82 15.43 18.87 91.85 50.36 -64.26 -40.35 0.58 0.00 99.42 0.12 0.04 0.33 99.42 0.10 0.00 0.00 0.00 57 L H H 87.83 2.51 15.57 18.40 91.96 50.60 -64.72 -40.51 0.39 0.00 99.61 0.06 0.03 0.24 99.60 0.08 0.00 0.00 0.00 58 E H H 102.80 1.87 16.20 17.57 91.87 50.80 -64.32 -41.53 0.30 0.00 99.70 0.05 0.02 0.16 99.72 0.05 0.00 0.00 0.00 59 V H H 78.20 2.14 15.57 17.73 91.86 49.56 -63.95 -41.90 0.30 0.00 99.70 0.04 0.02 0.17 99.72 0.05 0.00 0.00 0.00 60 L H H 86.14 2.46 14.79 17.72 91.78 49.66 -64.52 -40.90 0.26 0.00 99.74 0.04 0.01 0.14 99.76 0.05 0.00 0.00 0.00 61 E H H 107.44 1.80 15.47 16.98 91.64 50.80 -64.23 -40.78 0.31 0.00 99.69 0.04 0.01 0.18 99.73 0.04 0.00 0.00 0.00 62 K H H 123.22 1.48 15.58 16.36 91.62 49.85 -65.07 -40.55 0.44 0.00 99.56 0.06 0.02 0.25 99.63 0.04 0.00 0.00 0.00 63 K H H 115.89 2.12 14.94 17.22 91.85 49.91 -64.64 -40.92 0.40 0.00 99.60 0.07 0.02 0.21 99.66 0.04 0.00 0.00 0.00 64 K H H 117.88 2.00 15.11 17.12 91.86 50.04 -64.61 -40.89 0.41 0.00 99.59 0.08 0.02 0.20 99.65 0.05 0.00 0.00 0.00 65 T H H 77.60 1.56 15.44 16.31 91.68 49.79 -64.45 -41.03 0.52 0.00 99.48 0.10 0.03 0.25 99.56 0.06 0.00 0.00 0.00 66 A H H 55.35 2.05 14.50 16.77 91.71 50.31 -63.99 -41.27 0.74 0.00 99.26 0.14 0.05 0.37 99.36 0.08 0.00 0.00 0.00 67 L H H 87.07 2.00 13.69 15.98 91.88 49.86 -64.57 -40.88 0.97 0.00 99.03 0.21 0.08 0.47 99.12 0.12 0.00 0.00 0.00 68 S H H 59.12 1.74 12.89 14.90 91.80 50.56 -64.29 -40.54 1.72 0.00 98.27 0.42 0.14 0.90 98.29 0.25 0.00 0.00 0.00 69 E H H 113.00 1.38 11.93 13.35 91.88 51.06 -65.04 -39.01 3.18 0.01 96.81 0.62 0.29 1.91 96.64 0.54 0.00 0.00 0.00 70 Q H H 123.70 1.25 10.66 12.20 92.88 51.07 -67.42 -35.77 7.61 0.01 92.38 1.28 0.68 5.03 91.91 1.08 0.00 0.01 0.01 71 R H H 169.22 1.11 9.13 10.74 93.76 53.91 -69.71 -30.57 21.24 0.05 78.71 4.25 1.86 14.27 78.19 1.38 0.01 0.01 0.03 72 T C H 109.42 1.02 8.79 10.30 96.43 56.28 -79.37 -11.59 54.28 0.11 45.61 22.87 1.14 26.84 48.00 1.04 0.00 0.03 0.09 73 E C C 140.96 2.06 10.28 13.68 103.49 80.85 -76.93 64.73 99.93 0.00 0.07 99.67 0.08 0.17 0.07 0.00 0.00 0.00 0.00