# 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 V C C 59.94 14.01 18.61 32.21 116.61 -160.38 -102.14 124.84 98.84 1.14 0.01 99.01 0.17 0.03 0.00 0.00 0.00 0.68 0.11 1 I C C 39.22 15.90 13.81 30.11 120.54 -161.79 -107.86 133.82 84.54 15.16 0.29 84.81 0.78 0.23 0.18 0.08 0.00 9.80 4.12 2 D C C 80.52 4.54 20.50 25.31 108.92 -127.34 -83.95 118.87 92.28 6.92 0.80 89.53 2.42 0.69 0.37 0.29 0.00 4.90 1.80 3 Y H G 54.23 20.33 10.94 30.08 93.71 -146.91 -65.89 -26.43 45.43 1.39 53.19 14.82 7.21 23.74 8.69 44.19 0.01 0.84 0.49 4 E H G 132.09 3.62 17.84 22.76 91.48 67.36 -67.86 -19.32 44.07 0.81 55.12 4.13 5.26 33.63 9.86 46.27 0.03 0.50 0.32 5 N H G 98.90 4.49 17.97 23.26 96.31 53.86 -90.64 -1.20 39.24 1.66 59.11 8.49 7.27 24.25 11.12 47.23 0.03 1.06 0.56 6 I C C 25.67 21.06 10.97 31.02 114.67 101.19 -84.72 131.75 63.08 9.62 27.31 41.00 14.62 7.48 17.92 9.72 0.09 4.77 4.41 7 G C C 32.84 8.30 19.80 28.40 114.69 -150.85 -85.18 160.56 64.10 14.85 21.05 43.21 10.40 10.23 12.45 8.98 0.06 10.94 3.74 8 Y C C 112.58 10.50 17.23 28.01 119.80 -98.14 -106.52 135.24 51.08 27.77 21.15 32.03 10.16 9.76 12.02 9.52 0.27 19.91 6.33 9 L C C 67.08 13.93 13.45 27.21 114.34 -150.52 -96.21 125.43 55.03 26.74 18.22 23.94 13.29 19.96 10.07 7.83 0.56 17.96 6.38 10 G C T 50.14 5.08 15.25 21.57 106.68 0.38 79.94 9.09 78.56 10.87 10.58 20.86 19.67 39.23 3.92 6.04 0.06 7.84 2.38 11 G C T 53.23 3.79 14.03 19.12 107.29 -24.26 85.58 -8.54 87.33 5.33 7.34 23.08 28.34 36.61 1.51 5.60 0.01 3.43 1.42 12 S C S 67.26 6.56 12.92 20.80 113.73 88.96 -93.95 133.87 85.63 8.99 5.38 29.68 33.40 23.49 0.84 4.60 0.01 6.15 1.83 13 S C C 74.55 5.87 15.60 22.64 101.90 -137.09 -87.00 11.13 76.21 20.11 3.68 36.82 29.48 10.82 0.58 3.26 0.00 17.09 1.93 14 I C C 81.81 10.16 17.59 28.22 119.34 68.89 -102.01 135.62 56.96 41.76 1.28 44.26 10.19 1.94 0.45 0.97 0.00 37.58 4.60 15 V E E 18.12 20.18 15.41 35.50 121.23 -160.16 -108.68 133.99 32.76 67.05 0.19 28.54 2.63 0.18 0.12 0.11 0.00 53.50 14.93 16 D C C 48.15 9.39 25.16 35.18 108.00 -127.21 -85.76 116.99 50.90 49.04 0.06 51.19 0.73 0.05 0.03 0.03 0.00 42.17 5.80 17 I C T 6.99 25.76 17.10 43.37 92.36 -155.53 -64.08 -29.20 90.46 0.67 8.87 1.85 3.93 84.64 0.35 8.56 0.00 0.42 0.24 18 N C T 49.12 16.67 20.88 36.69 92.13 62.90 -74.83 -16.99 92.94 0.14 6.91 0.22 1.76 92.21 0.14 5.56 0.00 0.07 0.05 19 N C T 91.13 5.35 23.85 29.90 100.59 40.39 -107.70 4.44 89.32 0.56 10.12 2.41 5.83 79.79 0.36 11.07 0.00 0.34 0.20 20 A C C 9.32 22.46 12.63 34.93 118.30 118.57 -75.48 145.92 97.04 2.82 0.13 87.02 9.71 0.21 0.07 0.05 0.00 0.96 1.98 21 N C C 68.02 6.37 25.40 31.80 121.49 -123.63 -85.16 155.20 79.07 20.77 0.17 77.65 0.70 0.04 0.14 0.02 0.00 3.14 18.32 22 I H H 40.74 19.78 15.46 34.65 92.07 -112.02 -59.98 -37.12 4.83 0.03 95.14 0.50 0.46 3.67 78.71 16.62 0.01 0.02 0.01 23 R H H 142.79 3.16 22.73 26.14 91.39 55.37 -63.49 -39.21 2.23 0.01 97.76 0.11 0.11 1.97 76.97 20.82 0.00 0.01 0.00 24 A H H 25.13 11.18 19.67 32.02 91.96 50.09 -65.45 -39.19 1.53 0.01 98.46 0.09 0.08 1.30 75.34 23.18 0.00 0.01 0.00 25 Y H H 3.45 26.59 13.89 41.06 91.49 50.52 -68.17 -34.18 5.01 0.03 94.96 0.32 0.32 4.06 74.72 20.55 0.01 0.01 0.01 26 L C T 70.29 13.01 17.97 31.01 90.59 64.62 -67.77 -21.38 62.18 0.31 37.51 2.95 2.31 58.06 28.77 7.45 0.05 0.13 0.27 27 K C T 141.78 2.78 21.77 24.75 91.84 62.07 -80.20 -10.79 87.48 0.19 12.33 3.67 4.43 80.95 5.52 5.18 0.00 0.10 0.16 28 M C S 20.69 21.42 11.29 32.41 116.45 98.57 -82.19 135.67 99.51 0.38 0.11 7.10 92.04 0.31 0.04 0.02 0.00 0.06 0.44 29 P C T 81.90 5.56 22.49 28.50 110.81 -100.99 -61.89 137.85 99.77 0.04 0.19 0.17 2.07 97.60 0.01 0.12 0.00 0.02 0.02 30 G C T 31.99 9.74 20.43 30.76 95.62 22.48 88.13 -4.60 99.88 0.02 0.10 0.34 1.64 97.91 0.01 0.08 0.00 0.01 0.00 31 M C C 10.94 24.32 12.06 36.28 117.83 116.69 -92.39 134.21 95.10 4.82 0.07 83.25 9.77 0.13 0.04 0.03 0.00 0.92 5.87 32 Y C C 93.07 7.42 24.21 31.50 124.91 -157.16 -95.95 157.73 99.86 0.12 0.02 99.38 0.49 0.02 0.01 0.00 0.00 0.02 0.08 33 P H H 68.45 12.47 17.27 29.78 91.60 -104.72 -58.86 -37.33 2.65 0.00 97.35 0.16 0.18 2.05 97.36 0.26 0.00 0.00 0.00 34 T H H 83.11 3.23 24.19 27.25 91.94 52.92 -64.48 -40.14 1.36 0.00 98.64 0.08 0.06 1.07 98.56 0.23 0.00 0.00 0.00 35 V H H 17.41 17.88 20.79 38.41 91.90 47.79 -65.56 -42.21 0.25 0.00 99.75 0.03 0.01 0.15 99.65 0.15 0.00 0.00 0.00 36 A H H 1.92 25.76 17.36 43.65 91.10 51.81 -62.24 -43.38 0.07 0.00 99.93 0.01 0.00 0.03 99.92 0.04 0.00 0.00 0.00 37 G H H 26.87 8.19 24.22 33.06 91.15 51.91 -62.67 -41.43 0.23 0.00 99.76 0.01 0.01 0.17 99.72 0.09 0.00 0.00 0.00 38 K H H 80.19 7.72 24.93 33.03 91.65 50.80 -64.62 -41.93 0.67 0.00 99.33 0.03 0.02 0.57 99.25 0.13 0.00 0.00 0.00 39 I H H 2.60 25.92 17.71 43.99 91.64 48.85 -63.97 -43.13 1.08 0.02 98.91 0.10 0.08 0.84 98.68 0.28 0.00 0.01 0.00 40 V H H 28.47 19.28 18.75 37.05 92.30 48.66 -67.42 -37.82 5.56 0.05 94.39 0.77 0.43 4.16 91.82 2.76 0.02 0.03 0.02 41 S H H 81.70 2.26 22.66 24.54 93.08 48.34 -73.02 -31.60 18.58 0.04 81.38 1.02 1.07 16.09 79.41 2.35 0.02 0.02 0.03 42 H H H 96.21 8.02 18.26 26.92 101.86 31.67 -106.94 -6.04 38.58 0.23 61.19 7.07 8.32 23.52 58.51 2.27 0.05 0.06 0.19 43 G C C 18.71 15.31 17.31 32.09 128.13 -158.25 68.59 174.12 98.14 0.41 1.46 46.55 29.38 21.73 0.19 1.72 0.00 0.17 0.26 44 P C S 57.71 11.04 20.51 31.61 112.24 21.25 -71.54 141.42 98.69 0.41 0.90 36.03 39.40 22.79 0.06 1.32 0.00 0.20 0.20 45 Y C C 27.44 19.70 14.52 34.09 128.31 -168.87 -121.36 148.24 93.12 6.01 0.87 85.96 4.79 1.32 0.26 0.57 0.00 1.75 5.34 46 S C C 75.51 5.12 22.30 28.34 96.36 -146.84 -90.13 -12.43 99.23 0.62 0.16 58.66 39.87 0.76 0.05 0.09 0.00 0.23 0.33 47 G C S 18.58 7.46 24.97 33.47 145.57 0.48 -167.49 168.15 94.24 4.94 0.82 7.75 86.15 0.27 0.57 0.06 0.00 0.47 4.73 48 V H H 15.80 22.94 14.62 37.57 90.83 -92.44 -61.42 -35.07 7.31 0.02 92.67 0.25 0.60 6.39 66.62 26.10 0.02 0.01 0.01 49 S H H 64.24 4.59 22.52 27.73 91.09 60.56 -62.45 -37.46 3.78 0.01 96.21 0.13 0.14 3.26 68.19 28.27 0.00 0.00 0.00 50 D H H 43.85 8.49 20.29 30.13 91.70 54.18 -65.71 -36.10 0.79 0.00 99.21 0.06 0.04 0.62 70.81 28.46 0.00 0.00 0.00 51 L H H 2.63 26.57 13.86 40.89 91.15 53.89 -64.92 -38.63 1.25 0.00 98.74 0.08 0.06 1.02 70.13 28.71 0.00 0.00 0.00 52 Y H H 79.54 14.56 18.13 32.60 90.74 57.34 -70.32 -21.12 20.94 0.02 79.04 0.39 0.52 20.74 41.77 36.55 0.01 0.01 0.02 53 K C T 149.68 1.89 21.66 22.95 92.50 60.35 -83.77 -4.71 65.44 0.03 34.52 1.01 1.55 66.70 11.57 19.12 0.00 0.01 0.05 54 I C S 19.54 21.39 8.94 29.57 112.87 109.32 -78.38 126.58 99.77 0.16 0.08 27.53 71.99 0.20 0.04 0.02 0.00 0.03 0.20 55 P C T 103.84 2.26 19.47 21.81 111.20 -110.89 -62.06 137.22 99.77 0.04 0.18 0.67 2.89 96.26 0.01 0.13 0.00 0.02 0.03 56 G C T 55.11 2.61 18.33 21.37 95.18 20.91 85.23 -2.01 99.89 0.02 0.10 0.89 2.19 96.83 0.01 0.08 0.00 0.01 0.00 57 L C C 14.21 23.86 7.15 29.00 116.67 131.23 -82.63 136.39 99.26 0.66 0.08 86.96 11.74 0.14 0.04 0.03 0.00 0.12 0.97 58 S C C 53.45 3.21 20.01 22.89 123.10 -136.45 -82.58 166.18 99.84 0.11 0.06 99.60 0.26 0.03 0.03 0.00 0.00 0.02 0.06 59 S H H 85.33 2.81 15.48 19.78 91.23 -98.75 -58.73 -38.03 1.45 0.00 98.55 0.27 0.20 0.72 98.60 0.21 0.00 0.00 0.00 60 A H H 70.15 2.30 18.77 20.68 91.64 52.07 -64.26 -40.62 0.57 0.00 99.43 0.08 0.04 0.34 99.36 0.18 0.00 0.00 0.00 61 E H H 36.73 16.71 15.92 32.49 91.98 49.09 -65.44 -41.25 0.18 0.00 99.82 0.03 0.01 0.09 99.71 0.15 0.00 0.00 0.00 62 A H H 16.89 16.17 15.96 32.67 91.29 51.81 -62.68 -42.25 0.06 0.00 99.94 0.01 0.00 0.03 99.92 0.04 0.00 0.00 0.00 63 D H H 82.72 2.02 23.65 23.77 91.32 50.51 -64.16 -40.96 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 64 V H H 31.75 10.07 19.96 31.53 91.54 49.99 -63.74 -43.10 0.15 0.00 99.85 0.01 0.00 0.12 99.79 0.07 0.00 0.00 0.00 65 I H H 3.24 25.80 13.94 40.15 91.43 49.99 -64.13 -41.35 0.41 0.00 99.59 0.01 0.01 0.37 99.34 0.27 0.00 0.00 0.00 66 K H H 111.18 7.70 19.23 27.91 91.16 53.52 -63.13 -38.52 2.67 0.00 97.33 0.06 0.06 2.73 93.26 3.89 0.00 0.00 0.00 67 K H H 141.82 1.67 20.86 21.47 91.10 54.30 -68.40 -27.12 20.97 0.01 79.03 0.12 0.23 23.47 71.87 4.29 0.01 0.00 0.00 68 Y C T 39.74 16.50 13.36 30.44 99.85 39.20 -108.93 7.84 58.79 0.06 41.15 1.68 1.51 55.56 34.54 6.63 0.00 0.02 0.05 69 E H G 70.64 17.40 12.77 29.31 92.04 109.27 -58.86 -36.60 26.26 0.18 73.56 0.98 1.22 23.05 1.89 72.72 0.00 0.10 0.04 70 S H G 95.09 0.97 20.10 19.51 90.23 57.55 -72.06 -15.34 30.00 0.09 69.91 0.26 0.91 28.31 1.08 69.38 0.00 0.05 0.01 71 R H G 102.20 10.14 17.55 28.30 97.29 50.90 -99.87 -4.14 30.38 0.33 69.29 1.01 2.08 25.46 1.12 70.04 0.00 0.25 0.04 72 L E E 11.09 24.49 11.57 35.52 125.98 79.43 -113.41 144.36 27.01 72.80 0.19 19.56 9.60 0.37 0.07 0.12 0.00 67.55 2.73 73 T E E 60.25 7.36 25.35 33.02 125.41 -166.40 -121.52 139.57 8.30 91.66 0.04 7.91 0.41 0.04 0.02 0.02 0.00 89.01 2.59 74 A E E 31.11 21.17 14.35 34.18 120.22 -151.85 -104.81 131.75 20.00 79.95 0.06 18.27 1.13 0.10 0.02 0.04 0.00 76.20 4.23 75 K C C 91.96 7.15 19.57 27.48 127.62 -163.33 -113.03 156.61 72.07 27.89 0.05 59.40 11.50 0.29 0.01 0.05 0.00 27.09 1.66 76 T C C 99.07 3.29 19.55 23.88 114.85 -91.17 -70.65 142.79 96.32 3.66 0.03 81.02 15.19 0.21 0.01 0.02 0.00 3.18 0.37 77 P C C 43.06 18.55 9.96 27.48 115.33 -105.84 -65.30 145.98 98.31 1.54 0.15 94.20 3.92 0.35 0.05 0.07 0.00 0.73 0.68 78 S C C 47.01 6.46 15.24 23.23 117.77 -118.37 -80.02 148.94 97.76 0.73 1.51 94.41 2.96 0.53 0.94 0.34 0.00 0.25 0.58 79 P H G 109.19 2.61 13.67 17.82 91.22 -113.82 -61.02 -27.94 39.80 0.45 59.75 7.09 5.79 25.78 18.96 41.90 0.01 0.25 0.22 80 D H G 96.17 3.86 15.40 20.17 92.46 62.98 -71.68 -19.39 37.04 0.71 62.26 5.99 4.70 24.58 22.31 41.68 0.02 0.43 0.29 81 Y H G 44.44 17.53 11.82 28.86 97.50 62.35 -80.89 -10.98 31.74 4.50 63.76 15.70 6.79 10.30 24.45 38.53 0.03 3.30 0.90 82 V C C 55.74 11.39 16.43 28.36 106.25 76.35 -82.16 45.74 47.73 13.44 38.84 33.59 8.13 6.86 30.39 8.14 0.08 9.75 3.06 83 I C C 73.25 9.17 16.30 26.11 100.53 66.42 -80.91 -26.52 47.57 15.11 37.32 34.62 7.05 6.41 31.92 5.15 0.09 12.09 2.67 84 D C C 71.47 7.88 16.34 24.97 103.86 55.88 -85.92 28.51 55.93 11.45 32.62 39.94 7.26 8.12 28.39 4.80 0.05 9.77 1.68 85 R C C 104.16 10.16 14.31 24.94 100.22 67.15 -79.72 -16.07 54.42 12.88 32.71 34.67 9.47 10.60 26.72 5.81 0.12 10.32 2.30 86 I C C 78.95 9.68 13.46 23.89 99.20 78.83 -82.81 -26.45 53.31 16.21 30.48 26.76 13.14 14.85 23.19 6.09 0.69 11.08 4.20 87 N C C 86.99 6.37 13.00 20.66 101.85 45.05 -91.68 29.33 68.43 8.92 22.65 27.55 16.14 25.87 15.35 6.56 0.22 5.53 2.79 88 N C T 106.68 4.07 13.92 19.05 98.46 -37.98 -32.80 12.91 83.76 2.08 14.16 20.21 17.56 46.65 7.13 6.38 0.01 1.21 0.86 89 G C T 40.69 7.24 11.97 20.50 99.22 -93.28 81.43 4.90 80.94 9.04 10.01 27.12 20.70 34.83 3.23 5.81 0.03 6.38 1.91 90 L C C 86.49 6.11 12.18 20.00 114.26 128.97 -91.84 129.88 63.05 29.20 7.76 39.48 13.49 10.03 3.57 4.47 0.08 21.44 7.44 91 Y C C 105.46 10.37 10.02 21.09 115.55 -154.37 -98.48 130.90 70.09 25.10 4.81 59.32 3.58 5.81 2.44 2.24 0.00 19.81 6.80 92 R C C 150.43 4.76 15.13 21.51 112.72 -152.46 -95.22 128.59 99.36 0.60 0.04 99.35 0.11 0.06 0.02 0.00 0.00 0.42 0.04