# 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 11.92 23.38 24.54 46.78 121.79 -165.18 -109.68 131.43 70.01 29.99 0.01 69.07 1.43 0.06 0.00 0.01 0.00 29.35 0.09 1 A E E 5.54 22.24 27.44 48.86 125.76 -163.78 -118.70 138.15 0.76 99.24 0.00 0.73 0.01 0.00 0.00 0.00 0.00 99.23 0.03 2 V E E 2.20 26.15 27.08 52.70 121.93 -162.66 -117.26 131.55 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.82 0.01 3 I E E 9.39 23.05 28.18 50.37 114.96 -160.87 -107.71 122.11 1.91 98.09 0.00 1.52 0.14 0.00 0.00 0.00 0.00 98.29 0.05 4 A E E 7.22 20.64 22.33 42.96 145.58 121.77 -164.03 176.14 40.42 59.57 0.01 22.78 17.79 0.15 0.00 0.01 0.00 58.76 0.50 5 D C C 52.46 9.16 23.32 32.96 116.92 -65.03 -72.20 151.66 99.08 0.90 0.02 94.92 4.25 0.05 0.01 0.01 0.00 0.69 0.08 6 P H H 75.34 10.54 16.37 27.47 92.14 -108.82 -58.64 -38.19 8.23 0.01 91.76 0.43 0.81 6.94 87.76 4.03 0.01 0.00 0.00 7 E H H 133.11 1.83 21.89 22.75 91.74 51.99 -65.31 -39.01 6.71 0.01 93.28 0.29 0.45 6.17 89.09 3.98 0.01 0.00 0.00 8 T H H 36.14 13.86 18.48 32.30 93.69 45.18 -68.95 -39.34 4.96 0.02 95.02 0.43 0.38 4.18 90.44 4.54 0.01 0.01 0.01 9 A H H 6.00 22.57 14.39 36.79 92.13 52.96 -64.33 -41.97 1.65 0.01 98.35 0.26 0.15 1.03 97.25 1.30 0.00 0.00 0.00 10 Q H H 95.91 4.01 23.11 27.09 91.68 52.32 -63.16 -41.66 1.78 0.01 98.21 0.19 0.10 1.33 96.50 1.88 0.00 0.00 0.00 11 G H H 31.25 5.05 20.82 26.34 91.78 51.07 -63.45 -42.20 2.35 0.01 97.64 0.13 0.10 1.95 95.69 2.12 0.00 0.00 0.00 12 F H H 19.94 20.21 14.70 34.70 92.32 49.65 -65.58 -40.84 2.27 0.02 97.72 0.22 0.14 1.62 94.45 3.54 0.01 0.01 0.00 13 R H H 119.71 10.16 17.00 27.75 91.37 52.51 -62.28 -40.77 2.16 0.02 97.82 0.17 0.11 1.68 92.95 5.06 0.00 0.01 0.00 14 L H H 129.12 1.58 17.77 19.18 89.89 55.24 -64.94 -26.24 11.26 0.02 88.72 0.22 0.31 11.39 81.43 6.61 0.02 0.01 0.01 15 A C T 54.43 8.53 14.23 24.03 92.50 55.03 -86.47 -0.08 75.01 0.03 24.96 0.17 0.81 77.72 18.13 3.12 0.00 0.01 0.04 16 G C T 52.32 2.32 20.32 22.31 97.32 -100.30 89.93 8.51 99.89 0.00 0.11 0.24 0.51 99.21 0.03 0.02 0.00 0.00 0.00 17 L C C 29.73 20.20 10.54 30.09 119.95 135.01 -91.14 143.10 98.26 1.72 0.01 91.01 7.29 0.13 0.00 0.01 0.00 1.45 0.11 18 E E E 114.46 4.17 24.27 28.67 111.54 -119.33 -80.59 130.54 40.10 59.89 0.02 36.62 2.00 0.08 0.00 0.02 0.00 60.86 0.41 19 G E E 19.02 22.40 13.33 34.22 134.07 -175.92 -133.80 152.41 4.42 95.57 0.00 4.35 0.17 0.01 0.00 0.00 0.00 95.21 0.26 20 Y E E 84.43 10.40 24.63 35.35 127.50 -168.21 -132.42 136.69 0.73 99.27 0.00 0.75 0.02 0.00 0.00 0.00 0.00 99.08 0.15 21 G E E 33.25 12.42 22.52 34.37 117.45 -128.80 -83.92 139.74 6.15 93.85 0.00 6.27 0.12 0.01 0.00 0.00 0.00 93.38 0.22 22 A C C 9.96 20.71 12.91 33.70 126.69 -169.28 -122.20 144.29 82.44 17.53 0.04 82.37 0.55 0.06 0.01 0.02 0.00 16.50 0.49 23 S C S 83.34 2.90 21.05 24.56 99.37 -166.73 -97.77 -15.26 99.63 0.34 0.03 31.28 68.09 0.37 0.01 0.02 0.00 0.18 0.06 24 S C S 48.54 3.52 23.86 26.75 139.33 7.80 -149.72 165.26 99.08 0.34 0.58 12.81 85.82 0.53 0.50 0.05 0.00 0.06 0.24 25 A H H 37.24 17.59 13.11 30.16 91.22 -105.62 -59.93 -37.10 2.81 0.00 97.18 0.40 0.52 1.79 96.14 1.13 0.00 0.00 0.00 26 E H H 134.14 1.76 21.52 22.61 91.28 53.59 -63.43 -40.75 1.47 0.00 98.53 0.18 0.14 1.04 97.47 1.16 0.00 0.00 0.00 27 E H H 86.83 5.06 21.00 26.40 91.68 48.62 -65.57 -39.55 0.58 0.00 99.41 0.12 0.05 0.36 98.29 1.18 0.00 0.00 0.00 28 A H H 2.16 25.05 13.88 39.49 91.07 51.59 -63.23 -43.54 0.20 0.00 99.80 0.03 0.01 0.11 99.72 0.13 0.00 0.00 0.00 29 Q H H 62.07 14.41 21.27 34.95 91.36 51.54 -62.14 -42.40 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 30 S H H 62.93 1.98 26.09 26.02 91.35 50.09 -63.50 -42.15 0.11 0.00 99.89 0.00 0.00 0.09 99.87 0.04 0.00 0.00 0.00 31 L H H 37.04 13.02 21.79 35.08 91.73 49.47 -64.71 -42.43 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 32 L H H 1.58 27.75 16.44 45.21 90.73 50.43 -62.92 -43.40 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 33 E H H 86.77 9.03 22.79 31.97 91.13 51.43 -62.12 -41.65 0.03 0.00 99.97 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 34 T H H 68.73 2.60 24.03 25.36 91.40 49.74 -63.86 -41.96 0.08 0.00 99.92 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 35 L H H 10.82 17.84 16.69 35.45 91.66 50.19 -64.06 -42.46 0.23 0.00 99.77 0.01 0.01 0.17 99.69 0.11 0.00 0.00 0.00 36 V H H 28.67 18.35 15.15 32.96 92.01 50.12 -64.57 -40.65 1.40 0.00 98.60 0.09 0.07 1.17 98.20 0.47 0.00 0.00 0.00 37 E H H 143.50 1.68 18.70 20.17 91.62 51.84 -66.54 -32.12 7.29 0.01 92.71 0.21 0.29 6.70 92.31 0.48 0.00 0.00 0.00 38 R C T 147.88 3.01 16.31 19.80 95.52 53.26 -84.72 -4.96 55.49 0.08 44.43 1.47 4.13 47.65 45.52 1.11 0.02 0.02 0.07 39 G C T 45.17 7.20 16.82 24.91 98.88 -108.51 78.39 11.15 96.94 0.09 2.97 6.94 11.58 78.77 1.85 0.76 0.00 0.04 0.06 40 G C C 30.92 9.86 19.50 29.57 101.31 115.65 -73.25 7.47 98.75 0.80 0.45 57.56 24.40 16.73 0.06 0.48 0.00 0.61 0.16 41 Y C C 26.57 21.47 16.44 37.45 129.28 120.35 -119.94 146.49 72.11 27.84 0.05 68.71 1.97 0.16 0.01 0.04 0.00 28.65 0.48 42 A C E 25.65 15.00 25.66 40.83 101.35 -169.57 -95.12 -31.78 57.91 42.07 0.01 24.66 32.72 0.23 0.00 0.01 0.00 42.17 0.20 43 L E E 10.92 22.55 26.00 47.97 132.80 17.99 -140.80 139.46 0.34 99.66 0.00 0.30 0.02 0.00 0.00 0.00 0.00 99.67 0.01 44 V E E 3.08 25.89 27.03 52.44 119.50 -163.32 -117.97 125.59 0.02 99.98 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.98 0.00 45 A E E 5.18 23.33 28.42 51.18 116.02 -159.88 -104.12 123.45 0.04 99.96 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 46 V E E 4.65 24.36 22.98 47.24 134.60 177.05 -134.82 153.85 0.34 99.66 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.67 0.01 47 D E E 21.06 15.37 22.32 38.03 119.51 -111.03 -77.34 156.15 20.84 79.15 0.01 20.23 0.39 0.02 0.00 0.01 0.00 79.14 0.22 48 E H G 86.08 11.65 18.03 30.28 91.30 -112.36 -60.08 -32.35 37.94 0.21 61.86 0.80 2.74 35.49 15.55 45.18 0.02 0.12 0.10 49 A H G 70.90 3.66 21.28 25.39 90.45 62.68 -67.96 -22.78 36.56 0.05 63.39 0.54 1.58 35.86 17.52 44.43 0.00 0.03 0.04 50 L H G 26.38 18.07 15.20 33.23 97.20 47.90 -90.89 -13.06 31.49 0.16 68.36 1.84 2.83 25.58 22.91 46.65 0.01 0.08 0.10 51 L H H 33.01 20.02 13.25 32.13 98.80 84.40 -68.79 -32.39 41.79 0.68 57.53 14.77 8.04 18.04 29.95 28.39 0.05 0.29 0.47 52 P H T 91.96 3.52 19.65 23.45 95.52 62.19 -69.53 -23.99 48.76 0.29 50.96 8.55 7.37 31.11 24.80 27.77 0.03 0.13 0.24 53 D H H 82.80 5.93 18.22 24.79 103.22 40.90 -90.68 27.44 48.08 0.41 51.51 11.23 11.98 24.26 28.45 23.54 0.05 0.18 0.32 54 P H H 19.39 21.11 11.84 31.93 98.22 73.19 -83.76 -0.89 49.11 0.35 50.54 36.93 5.54 6.91 45.04 5.24 0.00 0.14 0.20 55 E H H 98.24 8.63 16.96 26.50 93.49 91.36 -61.54 -41.74 5.90 0.03 94.07 3.31 0.84 1.66 93.28 0.90 0.00 0.01 0.01 56 R H H 145.88 1.90 20.39 21.19 92.84 50.25 -65.42 -39.75 1.51 0.01 98.48 0.47 0.19 0.74 98.07 0.52 0.00 0.00 0.00 57 A H H 29.56 9.18 17.25 28.04 92.31 51.14 -65.19 -40.91 0.86 0.01 99.13 0.26 0.09 0.42 98.83 0.40 0.00 0.00 0.00 58 V H H 14.27 19.57 13.90 33.55 91.94 49.91 -64.55 -42.09 0.62 0.00 99.38 0.14 0.06 0.32 99.25 0.22 0.00 0.00 0.00 59 E H H 93.53 5.82 18.72 25.33 91.49 51.72 -63.25 -40.64 0.83 0.00 99.17 0.17 0.06 0.46 99.08 0.22 0.00 0.00 0.00 60 R H H 135.29 1.79 19.70 20.19 91.91 50.12 -64.67 -41.37 1.59 0.01 98.40 0.23 0.12 1.08 97.96 0.61 0.00 0.00 0.00 61 L H H 45.13 11.25 14.69 27.13 92.38 49.49 -66.37 -39.55 3.19 0.02 96.79 0.41 0.27 2.30 96.08 0.93 0.01 0.01 0.00 62 M H H 55.36 14.03 11.92 26.11 92.82 50.86 -70.07 -31.27 13.02 0.09 86.89 2.22 1.21 9.24 85.50 1.72 0.02 0.04 0.05 63 R H H 175.65 1.72 14.62 16.89 94.64 65.17 -68.31 -21.42 42.66 0.15 57.19 2.77 2.51 36.08 56.18 2.27 0.03 0.06 0.10 64 G C T 62.11 0.96 13.95 14.18 97.44 41.53 -84.99 -3.64 69.91 0.17 29.92 5.91 6.07 55.62 29.79 2.42 0.01 0.06 0.12 65 R C C 97.19 10.23 8.26 19.22 122.92 92.78 -105.24 147.09 95.98 0.67 3.35 56.09 31.88 8.09 2.19 0.93 0.00 0.22 0.59 66 D C S 128.46 1.00 14.87 15.35 97.44 -138.89 -81.73 -7.96 99.26 0.47 0.27 41.54 52.70 5.08 0.06 0.20 0.00 0.21 0.22 67 L C S 86.07 7.49 13.06 22.08 122.48 62.48 -112.59 139.22 99.41 0.55 0.04 23.15 75.82 0.60 0.00 0.02 0.00 0.26 0.14 68 P C C 55.96 12.12 14.18 26.89 114.18 -98.56 -68.81 150.25 98.72 1.25 0.03 63.58 34.55 0.74 0.00 0.03 0.00 0.99 0.11 69 V E E 68.66 9.83 18.42 29.05 115.39 -131.22 -95.39 128.85 10.79 89.16 0.05 9.59 1.10 0.12 0.01 0.04 0.00 87.87 1.27 70 L E E 57.70 16.55 15.86 32.08 118.79 -160.33 -110.15 125.49 1.25 98.75 0.00 1.21 0.05 0.00 0.00 0.00 0.00 98.50 0.23 71 L E E 57.33 11.30 19.75 31.88 116.66 -166.87 -113.84 120.54 1.88 98.12 0.00 1.81 0.04 0.00 0.00 0.00 0.00 98.08 0.06 72 P E E 69.61 10.05 20.08 30.55 114.37 -131.96 -73.37 135.87 5.99 93.99 0.02 5.80 0.21 0.02 0.01 0.01 0.00 93.60 0.37 73 I C C 37.14 18.83 13.43 31.85 117.65 -155.99 -106.93 124.52 52.52 47.14 0.33 49.07 2.34 0.32 0.13 0.20 0.00 45.64 2.31 74 A C C 51.72 7.85 18.20 26.74 112.29 -121.04 -73.51 149.17 85.80 12.65 1.56 72.27 10.31 2.70 0.57 0.94 0.00 11.55 1.65 75 G C C 31.61 8.88 16.23 25.88 115.94 -114.56 -82.94 155.31 88.48 3.41 8.10 71.56 11.68 5.11 4.94 3.15 0.00 1.88 1.67 76 L C C 75.55 11.03 13.66 25.07 97.23 -106.69 -69.96 -26.48 59.48 2.12 38.39 34.40 12.69 13.54 25.33 11.78 0.04 0.97 1.25 77 K H H 121.31 4.73 15.16 21.13 95.04 66.49 -65.98 -37.24 44.33 1.48 54.19 20.31 10.32 14.82 37.05 15.94 0.07 0.71 0.77 78 E H H 100.73 4.45 15.06 20.59 93.47 54.65 -68.65 -35.25 40.10 1.45 58.45 20.66 8.06 11.72 39.30 18.85 0.04 0.76 0.62 79 A H H 43.83 9.06 12.71 23.14 93.97 56.65 -69.44 -30.80 41.29 2.10 56.61 22.53 7.64 12.01 39.76 16.04 0.05 1.16 0.82 80 F C H 90.42 9.75 11.00 21.63 98.28 51.98 -84.28 -9.16 49.16 3.24 47.60 24.63 10.97 15.52 33.59 12.03 0.13 1.64 1.50 81 Q C T 130.16 2.59 13.11 16.90 102.72 73.67 -77.06 23.23 72.45 1.37 26.19 18.20 13.57 40.79 19.95 6.02 0.04 0.65 0.77 82 G C T 58.89 1.84 13.79 15.89 102.00 8.80 81.50 -0.12 86.28 0.70 13.03 21.16 19.75 45.97 8.10 4.27 0.00 0.30 0.45 83 H C C 105.19 6.88 10.47 18.82 116.51 104.13 -94.29 137.95 84.91 2.07 13.02 46.27 29.35 9.34 9.69 3.31 0.00 0.81 1.22 84 D C C 94.27 3.70 15.55 20.09 107.34 -117.55 -81.36 109.03 81.04 2.31 16.65 62.59 9.70 7.67 14.29 3.48 0.00 1.18 1.08 85 V H H 51.08 14.66 11.97 26.42 95.66 -147.12 -69.16 -28.09 44.30 1.81 53.89 26.36 8.57 11.06 47.29 5.07 0.03 0.95 0.67 86 E H H 99.57 7.74 16.48 25.07 94.13 62.73 -66.34 -37.80 33.80 0.91 65.30 16.58 6.49 11.74 60.16 4.18 0.03 0.49 0.33 87 G H H 32.08 4.35 17.79 22.94 93.64 52.02 -64.64 -41.28 27.58 0.48 71.94 17.25 4.50 6.51 68.32 3.01 0.00 0.23 0.18 88 Y H H 88.10 7.92 17.78 26.72 93.27 50.74 -66.37 -41.03 8.85 0.24 90.90 5.48 1.29 2.43 89.59 1.02 0.00 0.13 0.07 89 M H H 37.60 15.96 16.16 32.08 92.28 50.75 -64.97 -42.00 1.63 0.05 98.32 0.80 0.19 0.60 98.08 0.29 0.00 0.03 0.01 90 R H H 102.26 8.94 18.30 27.85 91.74 51.66 -63.42 -41.43 0.49 0.01 99.50 0.19 0.04 0.19 99.45 0.12 0.00 0.00 0.00 91 E H H 100.15 2.75 20.55 22.71 92.03 49.94 -64.57 -42.00 0.29 0.01 99.70 0.08 0.02 0.14 99.68 0.08 0.00 0.00 0.00 92 L H H 48.82 8.31 17.56 27.44 91.87 49.56 -64.25 -42.57 0.36 0.02 99.61 0.09 0.03 0.19 99.60 0.08 0.00 0.01 0.00 93 V H H 23.94 14.53 13.62 29.08 92.02 49.62 -64.62 -42.22 0.54 0.22 99.24 0.14 0.05 0.29 99.29 0.10 0.00 0.11 0.01 94 R H H 119.35 5.61 15.32 22.00 92.36 50.46 -65.18 -40.52 0.76 0.10 99.14 0.19 0.05 0.43 99.08 0.17 0.00 0.06 0.01 95 K H H 145.54 1.45 16.44 17.35 93.33 48.06 -68.98 -38.19 1.52 0.01 98.47 0.10 0.07 1.24 98.38 0.20 0.00 0.00 0.00 96 T H H 68.20 6.67 14.03 21.89 99.51 38.80 -85.13 -37.26 4.19 0.01 95.80 0.13 0.19 3.83 95.62 0.21 0.01 0.00 0.00 97 I H H 74.66 7.94 12.37 21.68 101.45 24.26 -104.12 -13.51 10.49 0.06 89.45 0.53 1.45 8.28 89.47 0.20 0.03 0.01 0.03 98 G C S 56.09 1.88 14.43 16.66 95.58 -119.91 77.61 10.39 98.18 1.13 0.69 37.79 53.16 7.46 0.29 0.34 0.00 0.67 0.29 99 F C C 94.35 7.11 10.39 19.44 126.37 111.81 -119.29 148.72 91.43 7.73 0.84 56.05 31.36 4.21 0.21 0.66 0.00 6.53 0.99 100 D C C 105.77 2.91 14.58 18.79 111.79 -130.09 -94.00 122.25 85.69 13.46 0.85 79.99 3.49 1.73 0.18 0.65 0.00 12.67 1.29 101 I C C 62.07 14.20 8.92 23.02 119.24 -166.83 -108.54 129.93 78.59 20.81 0.61 75.77 2.03 0.83 0.20 0.32 0.00 19.70 1.15 102 K C C 142.83 2.38 14.96 18.58 117.40 -159.07 -104.07 131.95 69.38 30.11 0.51 69.00 0.48 0.87 0.20 0.20 0.00 26.40 2.85 103 L C C 80.22 12.28 11.57 24.01 113.40 -150.25 -91.53 125.73 99.32 0.68 0.00 99.41 0.05 0.01 0.00 0.00 0.00 0.51 0.01