# 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 60.27 13.89 18.63 32.15 116.06 -158.45 -103.03 121.15 98.67 1.32 0.01 98.80 0.21 0.04 0.00 0.00 0.00 0.84 0.11 1 I C C 40.41 15.70 14.07 30.20 120.39 -162.57 -108.04 133.02 80.37 19.34 0.29 80.35 0.87 0.23 0.17 0.09 0.00 13.16 5.12 2 D C C 80.78 4.70 20.64 25.68 108.75 -130.50 -85.54 115.62 89.97 9.21 0.82 86.95 2.50 0.75 0.36 0.33 0.00 7.19 1.91 3 Y C G 45.20 21.15 10.96 30.98 94.18 -156.98 -68.53 -21.27 51.54 1.60 46.86 19.68 7.66 24.32 6.27 40.53 0.00 0.97 0.56 4 E C G 130.12 3.96 17.71 23.03 92.00 70.55 -67.34 -19.88 49.76 0.85 49.39 4.51 6.06 38.32 7.17 43.03 0.02 0.52 0.37 5 N H G 102.85 3.92 18.07 22.66 96.42 52.85 -91.20 1.22 45.15 1.63 53.22 8.93 8.32 28.95 8.09 44.08 0.02 1.03 0.59 6 I C C 25.98 21.24 10.79 30.90 113.71 102.62 -86.22 128.90 70.46 8.03 21.51 47.57 15.69 7.07 12.89 8.83 0.04 4.00 3.90 7 G C C 34.27 7.39 20.22 27.93 117.73 -156.12 -87.25 160.79 70.62 13.39 15.99 48.39 12.00 9.98 8.80 7.52 0.04 9.70 3.57 8 Y C C 116.54 10.27 17.61 28.16 119.24 -75.20 -104.35 135.79 54.67 28.78 16.55 35.88 10.25 8.68 9.16 8.05 0.21 20.35 7.44 9 L C C 58.70 15.20 13.45 28.28 114.11 -155.90 -98.66 123.75 57.46 27.99 14.55 29.23 13.22 17.06 7.47 6.93 0.36 18.82 6.92 10 G C T 47.09 6.21 15.28 22.58 108.08 -6.17 80.68 15.88 77.22 13.36 9.42 23.47 20.04 35.25 2.93 5.90 0.05 9.66 2.68 11 G C T 54.30 3.59 14.49 19.32 105.99 -25.21 79.79 -0.88 86.71 5.12 8.17 19.75 26.93 40.64 1.34 6.59 0.01 3.34 1.38 12 S C S 65.96 7.04 12.79 21.09 111.26 76.86 -94.02 124.75 86.41 7.20 6.39 26.26 32.05 28.89 0.84 5.61 0.00 4.81 1.54 13 S C C 75.48 5.47 15.91 22.53 101.54 -140.92 -87.23 9.32 76.78 19.31 3.91 36.66 30.42 10.62 0.56 3.58 0.00 16.17 1.98 14 I C C 81.90 10.25 17.70 28.38 119.72 61.75 -103.68 135.01 55.82 43.04 1.14 43.74 9.62 1.78 0.40 0.87 0.00 38.69 4.90 15 V E E 18.65 20.15 15.54 35.52 121.48 -162.90 -110.17 134.18 33.57 66.26 0.18 29.29 2.60 0.17 0.10 0.10 0.00 53.98 13.75 16 D C C 48.31 9.49 25.19 35.31 108.16 -128.08 -85.79 116.96 50.34 49.60 0.06 50.49 0.78 0.05 0.03 0.03 0.00 42.41 6.21 17 I C T 6.95 25.80 17.10 43.43 92.35 -154.73 -63.88 -28.18 91.98 0.60 7.43 1.78 3.82 86.52 0.32 6.95 0.00 0.37 0.23 18 N C T 49.60 16.79 21.03 36.89 92.16 63.45 -73.61 -17.26 94.08 0.12 5.80 0.20 1.59 93.51 0.12 4.49 0.00 0.05 0.04 19 N C T 89.94 5.62 23.87 30.19 100.55 39.78 -106.55 4.13 90.89 0.39 8.72 1.70 4.89 83.58 0.31 9.15 0.00 0.23 0.14 20 A C C 9.28 22.60 12.75 35.18 118.47 117.10 -76.11 146.44 97.92 1.95 0.13 86.30 11.25 0.17 0.07 0.05 0.00 0.55 1.61 21 N C C 66.50 6.68 25.40 32.12 122.28 -125.61 -86.99 156.74 79.67 20.18 0.15 77.94 0.61 0.03 0.13 0.01 0.00 2.08 19.21 22 I H H 43.65 19.33 15.76 34.48 92.16 -110.96 -59.86 -37.42 3.08 0.01 96.90 0.34 0.31 2.35 89.12 7.86 0.01 0.01 0.00 23 R H H 142.00 3.08 23.03 26.26 91.33 54.90 -63.22 -39.66 1.42 0.00 98.58 0.07 0.06 1.28 88.08 10.50 0.00 0.00 0.00 24 A H H 21.87 11.83 19.56 32.60 91.75 50.14 -65.12 -40.26 0.93 0.00 99.07 0.05 0.04 0.80 86.19 12.92 0.00 0.00 0.00 25 Y H H 3.59 26.50 14.07 41.11 91.00 50.88 -66.42 -36.31 2.77 0.01 97.22 0.13 0.14 2.41 84.72 12.58 0.00 0.00 0.00 26 L C T 70.85 12.58 18.37 31.06 90.62 59.59 -68.16 -22.50 55.55 0.11 44.34 1.30 1.28 54.70 37.15 5.39 0.03 0.04 0.10 27 K C T 139.10 3.05 21.80 25.06 91.89 61.81 -79.64 -12.40 85.42 0.09 14.49 1.74 2.92 82.87 8.72 3.62 0.00 0.04 0.10 28 M C S 20.85 21.37 11.28 32.37 116.54 97.85 -81.56 135.89 99.63 0.28 0.09 6.16 93.17 0.26 0.03 0.01 0.00 0.04 0.32 29 P C T 82.88 5.44 22.39 28.27 110.56 -100.49 -62.03 137.85 99.80 0.03 0.17 0.13 1.88 97.85 0.01 0.10 0.00 0.01 0.02 30 G C T 33.33 9.21 20.34 30.22 95.77 22.67 87.89 -4.66 99.89 0.02 0.10 0.28 1.48 98.15 0.00 0.07 0.00 0.01 0.00 31 M C C 11.06 24.36 11.73 35.94 117.41 116.57 -92.39 135.32 95.65 4.28 0.07 83.91 9.79 0.13 0.04 0.02 0.00 0.79 5.33 32 Y C C 94.90 7.13 23.94 30.95 123.70 -151.19 -91.78 157.89 99.87 0.10 0.03 99.39 0.48 0.02 0.01 0.00 0.00 0.02 0.07 33 P H H 70.55 11.95 17.03 29.18 91.56 -105.38 -58.82 -37.35 2.48 0.00 97.51 0.13 0.15 1.97 97.46 0.29 0.00 0.00 0.00 34 T H H 84.73 2.97 23.96 26.62 91.87 52.72 -64.53 -40.00 1.24 0.00 98.76 0.07 0.06 1.00 98.62 0.26 0.00 0.00 0.00 35 V H H 17.71 17.72 20.49 38.01 91.92 47.58 -65.70 -42.16 0.27 0.00 99.73 0.03 0.01 0.17 99.62 0.17 0.00 0.00 0.00 36 A H H 2.03 25.65 17.09 43.26 91.03 51.79 -62.20 -43.40 0.08 0.00 99.92 0.01 0.00 0.04 99.90 0.04 0.00 0.00 0.00 37 G H H 27.80 7.94 24.14 32.71 91.19 51.88 -62.68 -41.35 0.32 0.00 99.68 0.02 0.01 0.25 99.61 0.11 0.00 0.00 0.00 38 K H H 81.64 7.56 24.87 32.80 91.66 50.58 -64.76 -41.92 0.88 0.00 99.12 0.04 0.02 0.77 99.00 0.16 0.00 0.00 0.00 39 I H H 2.64 25.87 17.76 43.97 91.66 49.04 -63.74 -43.27 1.26 0.03 98.71 0.12 0.10 0.98 98.39 0.38 0.01 0.01 0.01 40 V H H 28.51 19.34 18.85 37.18 92.25 48.65 -67.30 -37.61 5.60 0.07 94.33 0.85 0.46 4.14 91.13 3.35 0.02 0.04 0.02 41 S H H 80.99 2.36 22.77 24.79 93.36 48.45 -72.89 -30.96 18.59 0.05 81.36 1.14 1.12 15.86 79.06 2.75 0.02 0.02 0.03 42 H H H 96.37 8.19 18.56 27.31 101.69 33.10 -105.30 -7.29 37.74 0.23 62.03 6.38 7.60 24.11 59.08 2.53 0.05 0.06 0.19 43 G C C 17.65 16.05 17.21 32.57 128.38 -138.62 1.66 175.35 98.55 0.47 0.98 45.14 36.74 16.43 0.16 1.04 0.00 0.20 0.30 44 P C C 58.75 10.76 20.95 31.75 112.97 18.49 -71.33 141.29 99.01 0.46 0.53 41.58 40.34 16.82 0.04 0.77 0.00 0.23 0.22 45 Y C C 27.33 19.83 14.46 34.13 128.61 -168.58 -122.88 149.18 90.67 8.76 0.57 84.67 4.03 0.83 0.20 0.34 0.00 2.38 7.55 46 S C C 76.41 4.82 22.37 28.08 95.73 -144.06 -87.21 -12.20 99.12 0.75 0.13 59.24 39.37 0.62 0.05 0.07 0.00 0.29 0.36 47 G C S 17.76 7.72 24.95 33.76 145.78 -1.94 -166.60 167.89 93.64 5.40 0.96 8.38 84.95 0.34 0.68 0.07 0.00 0.53 5.05 48 V H H 14.13 23.27 14.67 38.04 90.78 -92.94 -61.58 -34.96 7.35 0.02 92.63 0.26 0.60 6.40 62.38 30.32 0.02 0.01 0.01 49 S H H 63.09 4.86 22.57 28.09 91.03 60.63 -62.29 -37.39 3.68 0.00 96.31 0.14 0.15 3.17 64.27 32.26 0.00 0.00 0.00 50 D H H 45.22 8.31 20.54 30.16 91.71 54.00 -65.94 -35.54 0.81 0.00 99.18 0.07 0.05 0.62 66.99 32.26 0.00 0.00 0.00 51 L H H 2.56 26.61 13.91 41.00 90.99 54.19 -64.97 -38.57 1.32 0.00 98.67 0.09 0.07 1.07 66.58 32.19 0.00 0.00 0.00 52 Y H G 78.81 14.65 18.12 32.66 90.85 57.48 -70.33 -21.58 20.18 0.02 79.80 0.41 0.55 19.64 38.49 40.87 0.01 0.01 0.02 53 K C T 150.29 1.85 21.67 22.87 92.73 60.07 -84.03 -3.84 63.75 0.04 36.21 1.09 1.67 64.14 10.79 22.24 0.00 0.02 0.05 54 I C S 20.13 21.26 8.92 29.42 112.75 109.71 -78.07 126.62 99.77 0.16 0.08 28.31 71.22 0.19 0.04 0.02 0.00 0.03 0.21 55 P C T 104.34 2.23 19.26 21.61 110.94 -110.61 -61.80 136.75 99.76 0.04 0.20 0.55 2.60 96.67 0.01 0.14 0.00 0.01 0.02 56 G C T 55.89 2.44 18.20 20.99 95.26 20.95 85.22 -1.88 99.88 0.02 0.10 0.74 1.99 97.17 0.01 0.08 0.00 0.01 0.00 57 L C C 14.44 23.82 7.03 28.77 116.83 130.09 -82.90 136.31 99.31 0.60 0.10 86.08 12.65 0.17 0.05 0.04 0.00 0.11 0.90 58 S C C 54.05 3.09 20.01 22.68 123.28 -136.48 -82.88 166.00 99.83 0.10 0.07 99.57 0.27 0.03 0.04 0.00 0.00 0.02 0.06 59 S H H 85.42 2.82 15.45 19.77 91.25 -99.60 -58.60 -38.22 1.72 0.00 98.28 0.33 0.25 0.86 98.31 0.26 0.00 0.00 0.00 60 A H H 69.92 2.39 18.68 20.79 91.61 52.29 -64.34 -40.60 0.70 0.00 99.30 0.10 0.05 0.42 99.19 0.24 0.00 0.00 0.00 61 E H H 36.93 16.82 15.97 32.60 91.96 49.30 -65.38 -41.28 0.23 0.00 99.77 0.05 0.01 0.12 99.60 0.22 0.00 0.00 0.00 62 A H H 16.55 16.25 16.08 32.86 91.26 51.66 -62.79 -42.14 0.08 0.00 99.92 0.01 0.00 0.04 99.89 0.05 0.00 0.00 0.00 63 D H H 82.57 2.08 23.75 24.00 91.35 50.45 -64.29 -40.91 0.10 0.00 99.90 0.01 0.00 0.06 99.87 0.05 0.00 0.00 0.00 64 V H H 29.64 10.43 19.99 31.93 91.49 50.04 -63.77 -43.28 0.18 0.00 99.82 0.01 0.01 0.15 99.74 0.10 0.00 0.00 0.00 65 I H H 3.06 25.95 14.12 40.52 91.28 49.87 -64.20 -41.20 0.45 0.00 99.55 0.02 0.01 0.41 99.23 0.33 0.00 0.00 0.00 66 K H H 109.79 7.97 19.28 28.16 91.14 53.63 -63.03 -38.36 2.76 0.00 97.24 0.07 0.06 2.83 92.43 4.61 0.00 0.00 0.00 67 K H H 141.09 1.76 20.89 21.71 90.99 54.78 -68.45 -26.62 21.72 0.01 78.28 0.12 0.24 24.38 70.12 5.12 0.01 0.00 0.00 68 Y C T 39.30 16.72 13.43 30.68 99.99 39.66 -109.15 8.50 58.70 0.06 41.24 1.75 1.53 55.48 33.83 7.33 0.00 0.02 0.05 69 E H G 71.02 17.42 13.06 29.60 92.05 109.22 -58.83 -36.94 22.49 0.18 77.33 1.03 1.22 19.04 2.12 76.44 0.00 0.11 0.04 70 S H G 94.61 1.00 20.27 19.77 90.15 58.38 -71.90 -15.00 25.63 0.11 74.26 0.29 0.92 23.73 1.21 73.77 0.00 0.07 0.01 71 R H G 95.22 11.05 17.33 28.91 97.27 52.08 -99.32 -3.85 25.94 0.39 73.67 1.01 1.92 21.31 1.20 74.22 0.00 0.30 0.03 72 L E E 11.62 24.46 12.01 35.96 124.47 83.47 -108.74 141.10 28.04 71.73 0.24 20.41 9.54 0.40 0.09 0.15 0.00 66.81 2.61 73 T E E 59.29 7.77 25.22 33.24 125.97 -170.88 -121.26 140.32 9.80 90.14 0.05 9.38 0.45 0.05 0.03 0.03 0.00 87.09 2.97 74 A E E 31.79 20.87 14.65 34.19 119.66 -154.09 -103.27 131.53 22.12 77.78 0.10 19.84 1.50 0.15 0.04 0.06 0.00 73.61 4.81 75 K C C 90.39 7.64 19.13 27.56 127.07 -164.14 -110.67 155.92 73.68 26.26 0.07 59.03 13.59 0.39 0.02 0.06 0.00 25.22 1.69 76 T C C 99.01 3.22 19.33 23.55 115.18 -91.32 -70.97 142.72 96.42 3.54 0.04 78.11 18.19 0.28 0.01 0.03 0.00 3.00 0.39 77 P C C 46.67 17.55 10.10 26.76 115.02 -105.37 -65.56 145.58 98.36 1.44 0.19 92.36 5.60 0.50 0.06 0.10 0.00 0.70 0.67 78 S C C 47.69 6.65 14.40 22.63 116.50 -114.72 -77.01 147.28 97.65 0.82 1.53 93.52 3.58 0.66 0.86 0.43 0.00 0.28 0.68 79 P H G 110.09 2.39 13.45 17.15 91.49 -118.13 -60.99 -28.05 46.54 0.52 52.94 9.49 7.22 29.03 17.25 36.46 0.01 0.28 0.27 80 D H G 98.19 3.58 14.74 19.15 92.73 62.86 -72.72 -18.97 42.87 1.07 56.06 8.56 5.94 27.13 20.78 36.47 0.04 0.63 0.44 81 Y H G 52.48 16.44 11.15 27.12 98.37 62.46 -83.93 -13.51 38.05 4.99 56.95 21.23 7.96 9.78 23.66 32.79 0.03 3.35 1.20 82 V C C 63.49 9.85 16.00 26.60 101.44 76.17 -78.03 -26.46 52.03 10.55 37.42 37.15 8.73 6.82 30.13 7.18 0.06 7.24 2.69 83 I C C 76.98 8.37 15.79 25.04 100.92 64.69 -78.13 -24.58 51.62 9.62 38.76 38.36 7.33 6.44 33.22 5.48 0.05 6.83 2.29 84 D C C 64.77 8.56 14.58 24.16 101.70 56.16 -78.92 -16.31 58.42 6.81 34.78 42.67 7.32 8.10 30.10 5.18 0.03 5.17 1.43 85 R C C 117.66 8.05 13.78 22.74 98.98 65.68 -78.31 -21.06 55.56 7.94 36.50 34.58 9.69 12.02 29.84 6.21 0.08 5.55 2.03 86 I C C 88.33 7.76 12.93 21.77 99.42 59.11 -80.62 -26.44 57.36 9.04 33.60 28.43 14.17 16.32 26.60 5.81 0.34 5.27 3.06 87 N C C 86.13 6.27 11.46 19.09 102.06 41.36 -93.09 27.81 72.58 5.15 22.28 33.06 17.36 22.91 15.65 6.10 0.08 2.76 2.08 88 N C T 113.32 3.35 12.53 17.18 99.33 -105.54 -47.72 25.49 84.19 1.87 13.94 23.43 18.58 43.04 6.56 6.50 0.01 1.02 0.86 89 G C T 44.88 5.61 11.01 18.14 102.51 -92.61 81.53 7.05 83.06 7.70 9.25 32.13 18.03 34.61 2.89 5.33 0.02 5.16 1.82 90 L C C 96.17 5.73 11.22 18.64 111.93 129.94 -93.55 120.45 79.65 15.83 4.52 69.09 3.65 6.71 1.74 2.18 0.00 11.16 5.47 91 Y C C 106.91 10.88 13.23 24.59 119.34 -168.72 -108.20 135.47 99.13 0.84 0.03 99.13 0.17 0.06 0.01 0.00 0.00 0.57 0.07