# 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 G C C 36.08 8.24 14.79 23.80 116.66 -137.82 85.99 -11.56 99.92 0.05 0.03 99.80 0.09 0.06 0.01 0.00 0.00 0.02 0.01 1 A C C 68.95 5.24 12.64 19.10 104.36 1.34 -79.76 -12.49 81.37 2.12 16.51 72.96 1.75 7.25 13.05 2.83 0.00 1.05 1.13 2 H C C 111.87 5.15 10.93 17.52 105.16 74.00 -83.23 60.32 67.80 4.48 27.72 46.78 9.52 11.44 21.34 6.44 0.02 2.17 2.30 3 L H H 94.53 6.18 11.80 19.26 97.43 93.59 -70.91 -30.74 40.19 3.07 56.74 19.92 8.07 13.05 37.92 18.02 0.09 1.83 1.10 4 A H H 61.01 6.17 11.94 19.45 96.54 64.27 -71.75 -29.66 31.48 2.26 66.26 12.57 6.17 12.55 43.39 23.02 0.11 1.51 0.69 5 R H H 135.66 4.12 12.92 18.26 96.74 62.08 -71.99 -27.46 26.97 3.11 69.92 12.36 5.28 9.27 44.52 25.54 0.08 2.24 0.70 6 R H H 120.42 5.63 12.53 19.62 96.82 70.90 -72.54 -30.87 30.75 4.96 64.29 15.61 5.96 9.61 43.12 20.81 0.13 3.63 1.14 7 Y H H 113.42 7.47 11.32 20.01 99.38 54.63 -80.58 -17.81 36.82 7.98 55.20 17.46 7.56 13.66 38.50 14.54 0.50 5.05 2.74 8 L C T 105.77 4.97 11.74 18.06 101.76 55.56 -80.19 -10.50 61.47 3.06 35.47 11.85 11.24 37.76 27.70 7.98 0.29 1.93 1.25 9 G C T 56.31 2.32 13.22 16.32 101.35 16.40 -73.10 -15.53 83.22 1.12 15.67 13.43 22.18 48.11 11.16 3.93 0.02 0.60 0.57 10 D C C 74.15 5.38 11.08 18.19 111.09 52.52 -112.00 102.43 97.36 1.91 0.72 78.52 17.20 1.42 0.27 0.45 0.00 0.81 1.31 11 A C T 72.54 6.16 10.25 18.39 95.64 -163.24 -66.86 -20.69 71.88 0.69 27.42 7.72 7.84 53.57 1.14 29.05 0.00 0.40 0.27 12 S C T 87.68 1.91 14.53 16.75 94.12 64.96 -81.20 -7.63 72.37 0.71 26.92 6.14 8.33 55.42 1.13 28.29 0.00 0.43 0.27 13 V C C 61.83 9.17 11.76 22.42 109.37 79.03 -95.93 101.07 71.14 3.35 25.51 35.86 20.07 13.70 1.79 25.32 0.00 1.65 1.60 14 E C C 103.91 6.91 15.96 24.45 120.94 165.71 -104.94 137.82 97.80 1.97 0.23 58.57 39.01 0.44 0.09 0.11 0.00 0.77 1.00 15 P C C 34.76 17.30 11.23 28.15 115.84 -107.38 -66.50 149.87 97.17 2.72 0.11 89.56 7.07 0.35 0.04 0.06 0.00 0.89 2.04 16 D C C 73.87 5.03 17.47 23.59 108.08 -121.48 -87.63 113.22 98.90 1.03 0.07 97.09 1.61 0.14 0.02 0.03 0.00 0.26 0.84 17 P C T 67.92 12.09 10.37 23.28 92.60 -158.12 -65.41 -18.29 93.76 0.17 6.07 4.55 6.23 81.48 0.16 7.42 0.00 0.10 0.07 18 L C T 127.91 2.02 14.04 16.63 93.89 61.11 -83.66 -9.03 93.72 0.17 6.11 2.63 8.29 81.48 0.14 7.28 0.00 0.10 0.07 19 R C S 144.53 3.04 13.80 18.20 118.09 69.84 -103.67 134.33 95.48 0.94 3.58 29.17 62.14 3.57 0.29 3.68 0.00 0.34 0.82 20 M C C 119.37 5.75 12.98 20.65 116.45 -115.82 -71.69 143.71 99.57 0.35 0.08 91.69 7.60 0.27 0.02 0.05 0.00 0.12 0.24 21 P C C 36.94 16.81 9.18 25.44 114.56 -106.88 -65.49 146.60 99.11 0.61 0.28 97.19 1.34 0.66 0.07 0.14 0.00 0.21 0.39 22 T C S 112.53 1.55 17.55 18.72 96.57 -147.67 -85.68 -13.12 99.13 0.72 0.15 48.06 49.28 1.77 0.03 0.12 0.00 0.22 0.52 23 F C S 75.19 10.64 10.76 22.74 120.41 82.71 -100.75 135.97 98.15 1.77 0.07 19.59 78.16 0.32 0.02 0.03 0.00 0.33 1.54 24 P C C 64.11 6.02 15.27 22.72 112.10 -107.14 -66.73 141.94 99.73 0.17 0.10 97.32 2.17 0.26 0.02 0.06 0.00 0.05 0.12 25 P C T 71.60 10.08 11.48 22.65 93.55 -128.96 -63.53 -20.91 74.81 0.26 24.93 6.15 4.68 59.83 0.99 28.06 0.00 0.13 0.15 26 D C T 96.15 4.75 15.30 21.28 94.89 62.63 -82.57 0.65 69.60 0.44 29.96 3.95 4.65 57.99 1.73 31.18 0.00 0.23 0.25 27 Y C T 105.92 8.94 12.65 22.73 107.85 123.23 -73.72 110.40 71.78 0.57 27.65 3.92 9.35 55.03 1.24 29.81 0.00 0.29 0.36 28 G C T 43.69 5.30 14.94 21.32 100.54 -17.65 89.07 -3.79 93.08 0.34 6.57 9.55 13.46 69.16 0.69 6.73 0.00 0.17 0.23 29 F C C 51.76 13.79 8.06 21.83 108.71 97.69 -99.11 100.27 96.48 2.07 1.45 71.69 22.53 1.66 0.46 0.91 0.00 0.55 2.21 30 P C T 108.90 1.77 13.04 15.64 95.09 -165.87 -65.95 -24.95 92.91 0.56 6.53 15.86 13.76 62.28 0.61 6.86 0.00 0.28 0.34 31 E C T 152.37 1.15 13.78 14.48 97.65 48.77 -89.13 6.24 92.53 0.52 6.94 13.80 15.13 62.69 0.65 7.17 0.00 0.27 0.29 32 R C C 80.87 14.49 6.91 20.37 116.65 120.51 -79.95 139.21 94.88 1.30 3.82 75.48 16.52 2.57 0.95 2.88 0.00 0.45 1.15 33 K C C 137.98 2.29 15.26 18.38 118.70 -137.85 -91.37 145.64 97.15 2.11 0.74 93.36 3.33 0.57 0.28 0.33 0.00 0.78 1.36 34 E C C 130.05 4.87 13.73 20.62 113.36 -102.64 -70.71 138.92 94.96 4.60 0.44 93.71 1.53 0.30 0.17 0.16 0.00 1.54 2.58 35 R C C 97.83 12.58 10.13 22.92 116.33 -124.03 -84.29 139.31 96.95 2.76 0.29 95.46 1.65 0.27 0.11 0.11 0.00 1.05 1.35 36 E C C 129.65 3.69 16.67 21.70 116.84 -144.98 -98.06 138.67 97.18 2.62 0.20 94.66 2.65 0.25 0.08 0.09 0.00 1.26 1.01 37 M C C 74.82 14.50 12.82 27.17 114.38 -119.43 -80.71 134.16 95.69 4.09 0.21 93.50 2.51 0.31 0.08 0.09 0.00 2.36 1.16 38 V C C 76.95 7.99 19.90 28.25 112.14 -163.70 -101.40 111.42 88.73 10.91 0.35 83.75 4.65 0.35 0.23 0.13 0.00 4.66 6.23 39 A C C 12.67 20.89 11.66 31.96 122.64 13.46 -103.90 141.41 96.89 2.90 0.21 91.02 5.98 0.21 0.14 0.06 0.00 1.38 1.22 40 T C C 59.13 4.07 21.81 25.50 124.97 -133.59 -88.33 166.15 98.44 1.23 0.34 97.70 0.97 0.12 0.25 0.04 0.00 0.41 0.51 41 Q H H 100.72 9.76 14.10 24.77 91.35 -104.94 -58.49 -37.90 1.62 0.00 98.37 0.37 0.27 0.76 98.34 0.26 0.00 0.00 0.00 42 Q H H 122.46 1.25 19.35 18.83 91.42 53.51 -63.08 -40.57 0.85 0.00 99.15 0.16 0.09 0.47 99.00 0.28 0.00 0.00 0.00 43 E H H 55.07 9.85 16.34 27.55 92.10 49.16 -65.76 -40.44 0.38 0.00 99.62 0.08 0.03 0.20 99.35 0.35 0.00 0.00 0.00 44 M H H 11.29 20.85 11.45 32.21 91.62 50.68 -63.67 -42.60 0.45 0.00 99.55 0.09 0.03 0.24 99.30 0.33 0.00 0.00 0.00 45 N H H 97.41 3.84 18.16 22.93 91.69 50.04 -64.42 -40.19 1.72 0.00 98.28 0.11 0.07 1.39 97.87 0.56 0.00 0.00 0.00 46 D H H 104.70 2.00 18.63 20.36 91.42 52.46 -66.69 -29.35 8.72 0.00 91.27 0.17 0.22 8.59 90.40 0.61 0.00 0.00 0.00 47 A C T 24.30 15.58 12.93 28.90 94.06 54.69 -83.13 -2.67 80.05 0.02 19.92 0.72 1.93 76.59 19.80 0.92 0.00 0.01 0.03 48 Q C T 136.70 2.33 21.03 23.45 94.34 -125.99 60.03 39.56 99.20 0.01 0.79 2.82 1.11 95.49 0.48 0.09 0.00 0.00 0.00 49 L C C 18.24 21.41 8.90 29.26 117.39 165.39 -85.61 138.73 99.70 0.19 0.10 90.09 9.42 0.13 0.05 0.03 0.00 0.04 0.23 50 V C C 75.94 3.30 21.34 24.01 114.63 -111.41 -70.91 146.40 99.54 0.19 0.27 99.33 0.27 0.10 0.06 0.08 0.00 0.05 0.12 51 L H G 88.17 12.53 12.67 25.36 92.14 -115.72 -57.66 -35.97 9.38 0.07 90.55 1.01 1.03 5.90 1.11 90.90 0.00 0.05 0.01 52 Q H G 133.94 2.29 18.77 21.47 91.09 59.57 -70.10 -16.23 8.87 0.06 91.08 0.47 0.73 6.35 0.84 91.57 0.00 0.04 0.00 53 Q H G 68.01 11.88 16.34 28.76 97.86 56.05 -98.37 0.82 10.62 0.13 89.24 1.78 1.50 5.55 1.07 89.99 0.00 0.09 0.01 54 R C C 43.26 20.29 14.33 33.62 113.71 99.53 -85.62 125.85 94.78 1.48 3.74 80.93 11.38 2.07 1.84 1.50 0.00 0.33 1.94 55 D C T 45.43 13.11 21.88 34.36 116.38 150.91 -104.69 -60.24 87.93 1.21 10.85 28.32 29.94 30.30 5.06 4.68 0.00 0.32 1.38 56 Y C T 95.52 12.11 23.83 35.43 94.76 -55.68 -70.23 -20.97 85.39 0.38 14.23 2.37 14.46 69.31 8.94 4.32 0.03 0.15 0.43 57 C C T 10.42 21.24 20.22 41.09 96.35 60.19 -89.88 -12.85 72.71 0.63 26.67 10.84 6.90 53.76 23.06 4.58 0.03 0.24 0.60 58 A H H 9.12 20.73 19.68 40.40 92.49 84.10 -60.77 -41.37 1.53 0.00 98.47 0.33 0.16 0.83 97.58 1.10 0.00 0.00 0.00 59 H H H 82.31 9.16 25.45 34.91 91.88 52.18 -64.78 -40.27 0.51 0.00 99.49 0.06 0.03 0.35 98.62 0.94 0.00 0.00 0.00 60 Y H H 53.18 14.51 23.95 38.03 92.18 49.63 -65.66 -41.43 0.36 0.00 99.64 0.03 0.02 0.26 98.61 1.07 0.00 0.00 0.00 61 L H H 10.06 21.99 21.11 42.51 92.08 51.17 -64.62 -42.72 0.26 0.00 99.74 0.04 0.02 0.15 99.62 0.17 0.00 0.00 0.00 62 I H H 37.16 13.23 23.00 36.49 91.81 50.36 -63.49 -42.60 0.14 0.00 99.86 0.01 0.01 0.09 99.84 0.05 0.00 0.00 0.00 63 R H H 100.42 7.72 25.06 33.05 91.60 49.94 -63.96 -41.35 0.09 0.00 99.91 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 64 F H H 18.87 19.19 19.88 38.95 91.84 50.03 -64.19 -42.49 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 65 L H H 38.21 13.42 21.40 35.06 91.80 50.41 -63.80 -41.27 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 66 K H H 92.97 4.50 23.42 27.83 91.62 49.95 -64.42 -41.21 0.34 0.00 99.66 0.02 0.01 0.25 99.68 0.04 0.00 0.00 0.00 67 C H H 13.56 12.81 16.53 31.33 91.49 50.59 -63.52 -41.86 0.43 0.00 99.57 0.04 0.02 0.27 99.55 0.11 0.00 0.00 0.00 68 K H H 66.51 13.50 15.87 29.43 92.19 51.26 -64.57 -39.53 0.57 0.00 99.43 0.05 0.03 0.41 99.31 0.21 0.00 0.00 0.00 69 R H H 142.16 3.78 17.65 22.13 93.45 47.93 -68.88 -37.05 1.55 0.00 98.45 0.05 0.06 1.36 98.24 0.29 0.00 0.00 0.00 70 D H H 101.06 2.24 16.92 19.11 99.23 35.43 -90.62 -28.16 7.69 0.00 92.31 0.15 0.36 7.15 91.96 0.38 0.01 0.00 0.00 71 S H H 51.37 7.59 12.76 21.69 105.79 27.97 -112.97 0.09 33.69 0.16 66.16 2.79 6.01 24.46 65.80 0.69 0.06 0.04 0.15 72 F C C 83.53 9.43 10.01 20.62 116.87 132.95 -84.63 143.04 96.24 0.90 2.86 63.30 22.11 10.66 0.88 1.95 0.00 0.33 0.76 73 P C T 97.66 3.41 13.93 18.39 95.90 -29.71 -67.74 -16.19 94.12 0.32 5.55 6.74 28.49 58.56 0.65 5.14 0.00 0.16 0.26 74 N C T 91.67 4.02 13.77 18.98 105.27 50.37 -104.67 76.36 90.17 0.61 9.22 31.84 17.36 40.64 1.64 7.75 0.00 0.24 0.52 75 F H G 92.43 11.93 10.68 23.17 95.01 159.53 -66.07 -26.20 44.19 0.52 55.29 12.53 8.55 22.95 7.32 48.11 0.00 0.26 0.28 76 L H G 111.41 2.99 16.14 19.84 92.84 65.34 -68.38 -24.68 33.20 0.29 66.51 4.98 4.93 21.92 6.98 60.90 0.00 0.16 0.12 77 A H G 52.67 6.22 16.16 23.66 93.02 62.76 -72.77 -18.99 32.92 0.38 66.69 7.53 5.87 18.78 5.94 61.51 0.00 0.21 0.16 78 C C C 14.15 18.70 10.27 28.80 100.14 53.45 -98.61 24.27 61.77 0.79 37.44 36.39 8.89 15.98 8.34 29.40 0.00 0.32 0.68 79 K H H 114.85 4.65 17.43 23.65 92.81 120.58 -60.99 -41.14 5.83 0.02 94.15 3.31 0.95 1.73 92.90 1.09 0.00 0.00 0.01 80 H H H 120.85 2.29 19.83 21.49 91.96 50.37 -64.80 -40.01 1.64 0.00 98.36 0.20 0.12 1.17 97.41 1.10 0.00 0.00 0.00 81 E H H 40.73 14.19 16.16 30.84 91.89 49.86 -65.90 -40.66 0.87 0.00 99.13 0.14 0.06 0.56 98.01 1.22 0.00 0.00 0.00 82 R H H 77.72 13.06 17.11 30.28 91.53 51.38 -63.36 -41.97 0.38 0.00 99.61 0.09 0.03 0.20 99.38 0.31 0.00 0.00 0.00 83 H H H 100.21 2.58 21.85 23.34 91.67 49.65 -64.08 -41.70 0.31 0.00 99.69 0.05 0.02 0.17 99.67 0.09 0.00 0.00 0.00 84 D H H 62.56 6.30 20.73 27.62 91.86 50.12 -64.47 -41.39 0.18 0.00 99.82 0.02 0.00 0.11 99.80 0.06 0.00 0.00 0.00 85 W H H 35.53 16.96 16.56 33.80 91.41 50.14 -63.69 -42.27 0.11 0.00 99.89 0.01 0.00 0.07 99.87 0.05 0.00 0.00 0.00 86 D H H 68.35 6.09 21.54 28.08 91.47 50.80 -63.58 -41.21 0.18 0.00 99.82 0.01 0.00 0.12 99.82 0.04 0.00 0.00 0.00 87 Y H H 122.57 2.87 22.85 24.82 91.84 49.63 -64.89 -41.74 0.26 0.00 99.74 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 88 C H H 19.98 12.86 17.90 32.21 91.61 50.63 -64.00 -42.27 0.24 0.00 99.76 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 89 E H H 63.78 11.76 19.51 31.53 91.78 50.86 -64.06 -41.35 0.22 0.00 99.78 0.01 0.01 0.15 99.79 0.04 0.00 0.00 0.00 90 H H H 99.07 3.67 21.98 25.29 91.99 49.81 -64.29 -42.25 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 91 L H H 73.59 5.17 21.05 26.59 91.88 49.62 -64.52 -41.61 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 92 D H H 26.53 13.36 16.94 31.39 91.73 50.35 -64.60 -41.21 0.26 0.00 99.74 0.02 0.01 0.18 99.75 0.04 0.00 0.00 0.00 93 Y H H 91.13 7.70 19.56 27.99 91.98 50.32 -64.48 -41.68 0.30 0.00 99.70 0.03 0.01 0.20 99.72 0.04 0.00 0.00 0.00 94 V H H 73.67 3.30 20.74 23.68 91.79 49.60 -64.35 -42.47 0.45 0.00 99.55 0.09 0.04 0.27 99.55 0.04 0.00 0.00 0.00 95 K H H 87.07 6.37 19.33 26.47 91.97 49.25 -65.18 -40.90 0.77 0.00 99.22 0.25 0.08 0.40 99.20 0.08 0.00 0.00 0.00 96 R H H 79.63 10.59 17.36 28.57 91.97 50.11 -64.74 -40.98 1.15 0.01 98.84 0.39 0.12 0.59 98.78 0.11 0.00 0.00 0.01 97 M H H 86.34 4.74 19.24 24.33 91.80 50.48 -64.10 -41.23 0.88 0.00 99.12 0.32 0.10 0.42 99.04 0.10 0.00 0.00 0.00 98 K H H 104.88 2.85 19.82 22.24 91.63 49.99 -64.71 -40.96 0.92 0.01 99.07 0.36 0.11 0.43 98.98 0.11 0.00 0.00 0.01 99 E H H 63.08 7.55 17.25 26.20 91.63 50.30 -64.29 -41.20 1.01 0.01 98.98 0.37 0.11 0.49 98.91 0.11 0.00 0.00 0.00 100 F H H 75.40 6.80 17.32 25.28 91.79 49.95 -64.27 -41.61 1.13 0.01 98.87 0.45 0.13 0.52 98.77 0.13 0.00 0.00 0.01 101 E H H 91.18 2.96 18.91 21.77 91.47 50.59 -63.53 -41.78 0.90 0.00 99.10 0.35 0.10 0.41 99.04 0.09 0.00 0.00 0.00 102 R H H 113.54 3.69 18.20 22.22 91.75 49.73 -64.78 -40.91 0.92 0.00 99.07 0.26 0.10 0.50 99.04 0.09 0.00 0.00 0.00 103 E H H 68.82 7.02 16.15 24.53 91.70 50.49 -64.37 -41.12 0.97 0.00 99.03 0.30 0.11 0.50 99.01 0.07 0.00 0.00 0.00 104 R H H 122.56 3.45 18.04 21.59 91.60 50.26 -64.07 -41.01 0.82 0.00 99.18 0.22 0.09 0.41 99.22 0.05 0.00 0.00 0.00 105 R H H 123.39 2.21 18.32 19.98 91.64 49.88 -64.62 -41.16 0.61 0.00 99.38 0.18 0.05 0.29 99.43 0.05 0.00 0.00 0.00 106 L H H 62.42 5.04 16.13 22.67 91.70 50.21 -64.21 -41.29 0.43 0.00 99.57 0.10 0.03 0.22 99.61 0.04 0.00 0.00 0.00 107 L H H 71.34 4.30 16.15 21.56 91.62 50.20 -64.11 -40.78 0.42 0.00 99.58 0.08 0.03 0.22 99.63 0.04 0.00 0.00 0.00 108 Q H H 91.34 2.38 16.84 19.11 91.60 50.25 -63.97 -41.10 0.42 0.00 99.58 0.07 0.03 0.23 99.64 0.04 0.00 0.00 0.00 109 R H H 115.61 2.55 15.59 18.53 91.74 50.46 -64.54 -40.73 0.55 0.00 99.45 0.10 0.04 0.29 99.52 0.06 0.00 0.00 0.00 110 K H H 99.10 3.18 14.47 18.58 91.68 50.62 -64.59 -40.45 0.73 0.00 99.27 0.14 0.05 0.38 99.34 0.09 0.00 0.00 0.00 111 K H H 109.05 2.05 13.91 16.17 91.63 50.45 -64.44 -40.08 1.17 0.00 98.83 0.24 0.09 0.63 98.86 0.18 0.00 0.00 0.00 112 R H H 130.77 1.74 12.74 14.79 91.88 50.87 -64.95 -40.06 2.09 0.01 97.90 0.48 0.18 1.15 97.80 0.38 0.00 0.00 0.00 113 R H H 141.12 2.05 11.26 14.26 92.19 51.02 -66.38 -38.49 4.37 0.01 95.61 0.80 0.39 2.76 95.29 0.74 0.00 0.00 0.00 114 E H H 139.25 1.27 10.38 12.17 92.79 51.69 -68.57 -31.68 14.81 0.02 85.16 1.68 0.98 11.28 85.20 0.83 0.00 0.00 0.01 115 Q H H 137.23 1.23 9.56 11.31 95.53 53.40 -78.68 -14.32 49.49 0.07 50.44 14.14 0.97 31.16 52.79 0.85 0.00 0.02 0.05 116 R C C 165.86 2.51 10.84 14.88 101.55 88.35 -71.84 29.26 99.87 0.01 0.12 99.22 0.22 0.45 0.10 0.01 0.00 0.01 0.00