# 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 56.40 7.53 12.81 21.52 106.09 -124.12 -75.47 113.56 99.42 0.03 0.55 99.21 0.11 0.21 0.43 0.02 0.00 0.01 0.01 1 E H H 123.71 3.11 11.89 16.23 99.90 80.62 -73.30 -28.55 46.38 0.23 53.40 38.12 1.20 6.37 52.24 1.87 0.00 0.09 0.11 2 D H H 90.94 2.72 12.22 15.88 99.44 58.65 -74.44 -24.16 32.37 0.32 67.30 21.09 4.15 7.63 63.79 3.05 0.00 0.13 0.15 3 I H H 62.59 9.93 10.41 21.35 94.00 66.48 -67.22 -37.15 14.02 0.23 85.75 7.84 2.42 4.59 80.48 4.45 0.01 0.13 0.09 4 K H H 108.66 5.47 13.43 20.26 92.78 54.93 -65.58 -38.87 10.49 0.22 89.29 5.66 1.79 3.74 83.71 4.89 0.01 0.13 0.07 5 T H H 74.04 2.14 15.42 17.44 93.09 51.99 -66.24 -39.82 10.73 0.25 89.02 4.97 1.94 4.44 82.65 5.74 0.02 0.15 0.08 6 K H H 98.32 5.36 14.66 21.27 93.20 52.01 -66.89 -37.33 13.44 0.28 86.28 5.23 2.14 6.53 78.87 6.92 0.03 0.17 0.11 7 I H H 46.12 14.13 10.78 25.07 93.85 52.33 -68.91 -32.80 17.45 0.40 82.15 5.58 2.67 9.61 71.47 10.19 0.06 0.24 0.18 8 K H H 136.73 3.35 14.99 19.70 92.84 62.67 -66.68 -27.40 39.46 0.32 60.22 4.65 3.76 30.35 51.70 9.07 0.10 0.16 0.21 9 N C T 119.47 1.64 15.87 17.28 96.84 48.75 -92.93 0.76 65.54 0.28 34.18 7.85 5.95 51.04 27.49 7.29 0.02 0.13 0.23 10 Y C C 77.12 14.61 8.73 23.02 114.43 108.07 -83.34 130.62 91.90 1.69 6.41 72.07 14.36 5.10 4.68 1.77 0.00 0.65 1.38 11 K C C 149.16 2.65 17.09 20.54 107.54 -165.26 -100.82 26.91 93.33 4.05 2.63 77.07 11.33 4.48 1.40 1.18 0.00 1.97 2.57 12 T C C 66.60 10.84 13.64 24.89 122.88 74.08 -105.53 145.63 89.64 8.39 1.96 59.09 26.44 3.07 0.95 0.98 0.00 2.95 6.52 13 A C C 38.41 12.53 12.94 26.19 118.27 -105.95 -76.21 150.27 95.71 2.50 1.78 70.94 21.34 3.25 0.45 1.39 0.00 1.26 1.36 14 P C C 76.53 5.96 16.85 23.74 112.67 -100.96 -68.04 147.87 95.59 1.27 3.14 64.15 18.61 12.26 0.49 3.17 0.00 0.66 0.67 15 F C C 123.10 8.93 12.25 22.04 111.38 -114.64 -84.25 128.70 92.54 4.58 2.87 67.75 15.63 7.95 0.61 2.51 0.00 1.52 4.03 16 D C C 58.20 8.47 11.15 21.29 115.63 130.01 -108.01 120.65 95.07 4.13 0.80 82.47 10.21 1.66 0.27 0.50 0.00 1.40 3.48 17 S C T 90.02 2.03 12.33 15.66 92.77 -149.62 -66.31 -22.75 97.60 0.36 2.04 4.62 21.64 71.42 0.24 1.69 0.00 0.18 0.22 18 R C T 169.39 1.62 12.81 14.87 94.42 61.25 -76.19 -21.15 97.42 0.40 2.18 3.15 25.72 68.79 0.23 1.68 0.00 0.20 0.22 19 F C S 70.12 10.21 8.62 19.75 108.24 35.40 -122.90 69.53 93.63 3.96 2.41 42.49 46.50 4.05 0.79 1.50 0.00 1.33 3.34 20 P C T 84.68 4.76 11.68 18.45 95.35 162.08 -63.69 -26.92 92.90 0.90 6.19 24.76 11.60 56.81 2.10 3.75 0.00 0.43 0.54 21 N C T 115.46 2.74 13.65 17.23 98.91 47.30 -91.64 10.12 87.19 1.14 11.68 16.57 16.31 54.51 4.95 6.29 0.01 0.47 0.87 22 Q C T 98.08 6.48 14.01 21.73 108.86 110.06 -85.50 129.25 80.36 1.18 18.46 14.25 28.21 38.54 12.00 5.54 0.03 0.43 0.99 23 N C T 78.60 8.41 16.73 25.74 98.95 -22.16 -80.87 32.16 77.97 1.20 20.83 30.60 11.48 36.61 15.79 4.18 0.01 0.44 0.90 24 Q H H 44.19 15.51 16.36 32.01 94.64 137.27 -68.51 -33.49 24.09 0.34 75.57 14.40 3.80 7.08 72.49 1.91 0.01 0.12 0.19 25 T H H 41.67 14.54 18.79 33.01 92.54 57.25 -63.74 -42.03 10.20 0.09 89.71 3.74 1.55 5.03 88.24 1.35 0.01 0.04 0.04 26 K H H 105.60 5.19 24.17 29.44 91.98 49.94 -65.47 -40.66 2.81 0.02 97.18 0.71 0.38 1.58 96.54 0.76 0.00 0.01 0.00 27 N H H 44.32 11.06 22.23 33.72 91.98 50.27 -64.89 -41.13 1.03 0.00 98.96 0.22 0.11 0.57 98.75 0.35 0.00 0.00 0.00 28 C H H 11.14 20.26 19.56 39.68 91.94 50.52 -64.34 -42.48 0.76 0.00 99.24 0.11 0.05 0.48 99.12 0.23 0.00 0.00 0.00 29 W H H 82.86 12.25 23.70 35.71 91.63 50.24 -64.09 -42.10 0.36 0.00 99.64 0.04 0.02 0.22 99.62 0.10 0.00 0.00 0.00 30 Q H H 79.67 6.84 25.88 33.07 91.70 50.17 -64.09 -42.31 0.18 0.00 99.82 0.01 0.01 0.11 99.82 0.05 0.00 0.00 0.00 31 N H H 20.46 17.27 22.01 39.14 91.89 50.19 -64.59 -41.96 0.19 0.00 99.81 0.01 0.01 0.12 99.81 0.05 0.00 0.00 0.00 32 Y H H 37.30 17.84 22.72 39.94 91.43 50.26 -63.88 -42.95 0.14 0.00 99.86 0.01 0.00 0.10 99.85 0.04 0.00 0.00 0.00 33 L H H 56.92 8.00 25.12 33.75 91.47 49.59 -64.00 -42.33 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 34 D H H 39.90 10.88 24.09 35.44 91.69 50.07 -64.21 -42.21 0.14 0.00 99.86 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 35 F H H 19.30 19.24 20.76 39.87 91.90 50.01 -63.95 -42.97 0.13 0.00 99.87 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 36 H H H 60.30 10.02 23.69 34.16 91.70 50.26 -63.78 -41.62 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 37 R H H 105.46 5.05 25.07 30.27 91.73 49.70 -64.14 -41.77 0.10 0.00 99.90 0.00 0.00 0.07 99.89 0.02 0.00 0.00 0.00 38 C H H 13.94 16.20 18.76 35.77 91.81 50.39 -64.20 -42.18 0.15 0.00 99.85 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 39 E H H 61.41 12.59 19.74 32.41 91.87 51.20 -63.62 -41.80 0.15 0.00 99.85 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 40 K H H 114.22 2.30 23.06 24.14 91.81 49.62 -64.36 -41.55 0.42 0.00 99.58 0.03 0.02 0.28 99.62 0.05 0.00 0.00 0.00 41 A H H 33.93 6.09 17.98 25.64 91.68 49.94 -64.61 -41.76 1.22 0.00 98.77 0.09 0.09 0.86 98.84 0.12 0.00 0.00 0.00 42 M H H 28.71 12.76 12.09 26.31 92.01 49.70 -64.68 -41.47 2.99 0.03 96.98 0.49 0.39 1.93 96.84 0.31 0.01 0.01 0.01 43 T H H 90.76 2.69 14.90 18.50 92.26 49.13 -64.56 -40.07 4.52 0.03 95.46 0.77 0.44 3.08 94.72 0.94 0.01 0.01 0.01 44 A H H 91.51 0.91 13.74 14.00 91.43 52.83 -67.17 -28.53 12.56 0.04 87.40 0.73 1.00 10.88 86.13 1.19 0.03 0.02 0.02 45 K C T 134.53 2.61 11.46 15.25 95.00 45.99 -92.67 2.52 71.12 0.05 28.83 0.80 2.89 66.67 28.00 1.57 0.00 0.02 0.06 46 G C T 64.92 0.57 14.69 13.41 95.23 -107.42 78.30 14.79 99.52 0.02 0.46 4.52 3.18 91.95 0.22 0.10 0.00 0.01 0.01 47 G C C 29.62 8.92 9.07 19.39 125.22 133.68 -92.21 167.46 99.46 0.32 0.21 91.47 7.14 0.84 0.08 0.10 0.00 0.11 0.26 48 D C C 102.16 2.72 18.39 21.33 107.90 -104.74 -85.93 116.57 99.32 0.44 0.24 96.16 2.70 0.52 0.10 0.07 0.00 0.14 0.31 49 V C C 46.47 16.67 10.95 27.40 98.56 -176.88 -91.82 -2.85 89.04 0.70 10.26 84.12 3.34 1.24 10.00 0.58 0.00 0.17 0.55 50 S H H 66.65 2.69 20.07 22.81 91.96 99.54 -60.83 -41.37 7.40 0.03 92.57 3.49 1.24 2.51 91.80 0.94 0.00 0.01 0.02 51 V H H 53.05 8.53 19.39 28.91 91.99 49.77 -65.15 -39.77 1.91 0.01 98.08 0.52 0.19 1.02 97.34 0.93 0.00 0.00 0.00 52 C H H 7.25 21.03 14.42 35.80 91.60 51.53 -64.48 -41.12 0.44 0.00 99.56 0.09 0.03 0.24 98.82 0.82 0.00 0.00 0.00 53 E H H 90.86 6.60 22.58 29.65 91.48 52.15 -63.22 -40.90 0.26 0.00 99.74 0.03 0.02 0.17 99.47 0.32 0.00 0.00 0.00 54 W H H 105.58 6.05 22.97 29.08 91.58 51.10 -63.66 -42.75 0.45 0.00 99.55 0.03 0.02 0.36 99.47 0.13 0.00 0.00 0.00 55 Y H H 23.71 19.61 19.23 38.72 91.88 49.74 -64.01 -42.42 0.43 0.00 99.57 0.03 0.02 0.31 99.60 0.05 0.00 0.00 0.00 56 R H H 67.11 16.49 20.32 35.75 91.42 51.74 -62.32 -41.96 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 57 R H H 119.87 4.20 24.59 28.59 91.69 50.76 -64.05 -41.88 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.03 0.00 0.00 0.00 58 V H H 29.52 12.84 21.12 34.57 92.05 48.93 -64.32 -43.29 0.14 0.00 99.86 0.00 0.00 0.10 99.83 0.06 0.00 0.00 0.00 59 Y H H 12.81 23.03 17.28 40.20 92.16 48.72 -65.62 -41.05 0.35 0.00 99.65 0.01 0.01 0.29 99.40 0.29 0.00 0.00 0.00 60 K H H 95.07 11.08 19.97 31.00 91.48 54.19 -65.43 -32.74 2.15 0.00 97.85 0.07 0.08 2.07 95.40 2.38 0.00 0.00 0.00 61 S H H 65.03 5.34 21.86 27.11 92.58 55.37 -73.63 -23.39 12.56 0.00 87.44 0.12 0.26 13.39 84.18 2.04 0.01 0.00 0.00 62 L H H 45.67 15.11 17.80 33.02 100.90 35.80 -100.50 -19.89 27.05 0.02 72.93 0.34 1.45 25.76 71.05 1.37 0.02 0.00 0.02 63 C C S 12.95 21.26 12.46 33.52 128.65 50.25 -123.23 145.83 99.45 0.47 0.08 8.03 91.39 0.21 0.05 0.01 0.00 0.11 0.20 64 P C C 57.54 5.95 18.70 25.71 112.65 -101.44 -64.31 143.90 97.67 1.94 0.39 97.16 0.60 0.20 0.27 0.04 0.00 0.46 1.27 65 V H H 98.04 6.10 13.70 21.63 92.21 -118.62 -58.04 -36.57 3.91 0.01 96.08 0.56 0.54 2.59 94.85 1.43 0.00 0.00 0.00 66 S H H 77.55 1.57 19.04 19.54 91.28 57.06 -64.03 -36.72 1.58 0.00 98.42 0.09 0.10 1.31 96.65 1.85 0.00 0.00 0.00 67 W H H 57.86 13.28 16.08 30.03 92.74 49.03 -67.43 -39.84 0.54 0.00 99.46 0.06 0.03 0.39 97.70 1.81 0.00 0.00 0.00 68 V H H 19.71 17.14 14.47 32.07 91.51 51.53 -63.20 -43.10 0.39 0.00 99.61 0.03 0.02 0.30 98.89 0.76 0.00 0.00 0.00 69 S H H 62.80 2.21 22.04 22.88 91.59 50.62 -63.46 -41.23 1.35 0.00 98.65 0.05 0.04 1.28 98.12 0.51 0.00 0.00 0.00 70 A H H 44.31 4.98 19.90 25.71 91.61 50.33 -64.24 -41.74 2.08 0.00 97.92 0.06 0.08 1.95 97.50 0.41 0.00 0.00 0.00 71 W H H 22.00 19.18 14.67 34.15 92.00 50.57 -64.14 -42.57 0.93 0.00 99.07 0.10 0.06 0.66 98.89 0.29 0.00 0.00 0.00 72 D H H 66.79 7.11 18.95 26.92 91.61 51.01 -63.45 -41.07 0.37 0.00 99.63 0.05 0.02 0.20 99.63 0.09 0.00 0.00 0.00 73 D H H 88.61 1.42 20.29 19.48 92.09 49.60 -64.71 -40.75 0.23 0.00 99.77 0.02 0.01 0.14 99.75 0.07 0.00 0.00 0.00 74 R H H 68.16 8.80 14.90 25.33 92.41 49.54 -65.41 -41.19 0.23 0.00 99.77 0.02 0.01 0.15 99.72 0.10 0.00 0.00 0.00 75 I H H 53.69 13.05 12.01 25.48 92.03 50.59 -64.02 -42.20 0.38 0.00 99.62 0.03 0.02 0.26 99.45 0.24 0.00 0.00 0.00 76 A H H 87.78 1.28 15.50 16.43 91.11 52.20 -65.16 -31.28 2.73 0.00 97.27 0.05 0.07 2.63 96.95 0.29 0.00 0.00 0.00 77 E C T 129.80 1.77 14.23 16.01 93.09 51.27 -84.62 -5.17 56.82 0.01 43.16 0.22 0.80 56.09 42.27 0.59 0.01 0.00 0.01 78 G C T 48.96 4.56 13.47 19.68 95.03 -112.05 78.68 13.36 99.71 0.02 0.27 1.67 4.24 93.91 0.11 0.06 0.00 0.01 0.01 79 T C C 63.01 7.30 15.19 23.95 99.25 125.93 -92.06 -6.29 98.78 0.94 0.27 57.76 39.02 1.99 0.10 0.16 0.00 0.31 0.67 80 F C C 44.93 17.63 10.80 27.85 115.28 89.56 -98.87 127.29 97.55 1.84 0.61 51.56 43.53 2.33 0.17 0.39 0.00 0.62 1.40 81 P C T 71.56 7.19 16.87 25.15 105.29 -133.16 -69.27 120.71 95.37 1.09 3.54 29.04 20.46 45.38 0.37 3.69 0.00 0.59 0.47 82 G C T 42.63 6.46 14.54 22.06 114.98 2.97 104.95 12.14 93.40 2.30 4.30 24.32 23.95 44.83 0.38 4.38 0.00 1.35 0.79 83 K C C 138.90 4.10 14.22 20.02 113.40 -78.22 -91.14 123.21 95.30 2.74 1.96 87.32 3.45 4.57 0.33 1.52 0.00 1.42 1.40 84 I C C 76.35 12.92 11.85 24.80 110.74 -159.84 -97.36 113.44 99.84 0.15 0.01 99.78 0.11 0.02 0.00 0.00 0.00 0.07 0.02