# 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 S C C 49.34 10.54 15.67 26.49 112.23 -154.57 -94.68 124.58 99.24 0.21 0.56 98.89 0.23 0.28 0.42 0.04 0.00 0.09 0.06 1 A C H 62.13 6.93 13.95 21.75 99.38 -125.81 -70.94 -32.58 50.21 1.12 48.67 41.41 2.24 7.01 44.73 3.57 0.00 0.56 0.48 2 K H H 124.99 4.31 15.26 20.68 96.96 56.63 -69.48 -35.15 39.28 1.43 59.30 23.71 7.88 9.86 52.13 5.12 0.03 0.75 0.52 3 A H H 43.39 11.75 12.74 24.91 97.67 55.37 -71.02 -34.36 34.95 1.50 63.54 22.98 6.43 7.52 55.82 5.89 0.02 0.86 0.48 4 K H H 115.13 6.30 16.66 23.82 97.63 57.64 -72.66 -31.12 34.18 1.73 64.09 23.64 6.10 6.42 57.52 4.80 0.02 0.98 0.52 5 T H H 64.31 6.85 16.90 24.49 101.69 56.31 -77.66 -35.72 35.36 2.25 62.40 24.85 5.84 6.48 56.79 4.05 0.02 1.32 0.64 6 R H H 93.92 11.06 16.89 28.14 96.97 54.39 -70.71 -31.52 29.12 2.71 68.17 18.46 5.94 7.33 61.25 4.55 0.06 1.67 0.74 7 S H H 30.88 14.55 13.97 28.47 94.43 60.09 -68.58 -35.54 31.14 3.31 65.55 19.70 5.55 8.44 57.78 5.40 0.06 2.18 0.89 8 S H H 69.91 5.33 17.03 23.17 94.02 56.53 -68.78 -34.19 33.49 2.97 63.54 18.72 6.19 11.00 53.78 7.42 0.09 1.93 0.89 9 R H H 140.86 5.19 17.30 23.45 94.00 57.43 -71.46 -24.58 38.31 3.10 58.59 13.03 8.50 19.20 47.45 8.38 0.38 1.84 1.21 10 A C T 32.98 15.04 14.59 29.45 96.19 52.84 -86.05 -1.99 66.14 1.17 32.69 8.09 10.20 46.26 25.84 8.11 0.13 0.60 0.77 11 G C T 46.27 4.77 21.55 26.66 96.83 -110.32 82.30 9.68 93.92 0.99 5.09 18.65 14.18 61.55 2.26 2.37 0.00 0.61 0.38 12 L C C 22.42 21.09 12.14 32.67 115.80 130.46 -93.17 129.97 87.82 8.81 3.37 72.67 9.84 4.79 1.56 1.80 0.00 5.27 4.08 13 Q C C 111.92 5.72 22.74 29.07 108.10 -165.58 -101.84 66.37 86.61 10.61 2.78 62.33 20.54 3.70 1.78 1.19 0.00 6.47 3.99 14 F C C 32.86 20.08 15.33 34.80 120.71 130.66 -105.16 132.99 91.91 6.72 1.37 56.47 35.25 1.07 1.27 0.32 0.00 3.99 1.64 15 P C C 49.34 8.94 23.75 33.12 110.69 -106.51 -67.74 138.51 92.74 4.78 2.49 90.17 1.94 0.98 2.14 0.38 0.00 2.68 1.71 16 V H H 33.85 20.71 16.28 35.92 93.93 -123.84 -60.73 -37.52 17.24 0.26 82.50 5.05 2.63 10.09 78.75 3.16 0.06 0.13 0.14 17 G H H 31.63 6.71 22.10 29.44 92.15 57.15 -62.09 -38.50 11.22 0.14 88.64 2.20 1.46 7.77 85.63 2.76 0.05 0.07 0.06 18 R H H 93.98 8.98 23.10 32.12 92.29 51.18 -67.75 -38.41 3.90 0.12 95.98 1.62 0.61 1.90 93.67 2.07 0.01 0.08 0.03 19 V H H 2.81 25.62 17.25 43.19 91.47 51.90 -63.19 -43.91 1.40 0.06 98.54 0.57 0.20 0.68 97.88 0.61 0.01 0.04 0.01 20 H H H 53.04 14.99 21.48 35.94 91.39 51.05 -62.51 -41.95 1.09 0.04 98.87 0.35 0.14 0.58 98.40 0.48 0.00 0.03 0.01 21 R H H 119.43 2.93 24.75 26.77 91.56 50.55 -64.00 -42.37 1.25 0.04 98.71 0.29 0.15 0.77 98.26 0.48 0.01 0.03 0.01 22 L H H 19.02 14.57 18.40 34.09 91.87 49.68 -64.45 -42.04 1.74 0.06 98.20 0.44 0.23 1.08 97.58 0.61 0.01 0.04 0.01 23 L H H 14.60 21.97 14.57 36.07 92.00 50.35 -65.25 -39.89 3.60 0.09 96.31 0.73 0.38 2.50 95.06 1.24 0.03 0.05 0.02 24 R H H 144.93 5.09 18.59 24.86 91.97 51.92 -66.92 -32.88 11.45 0.10 88.46 0.87 0.87 9.73 87.21 1.17 0.05 0.04 0.04 25 K C T 136.07 2.28 18.38 20.30 94.66 48.06 -87.04 -7.06 56.19 0.19 43.62 1.61 3.69 49.27 43.59 1.59 0.05 0.07 0.14 26 G C T 36.15 10.45 14.59 25.48 102.44 -110.20 83.28 13.23 95.49 0.32 4.19 9.50 13.77 72.40 2.96 1.04 0.00 0.15 0.18 27 N C C 72.05 6.75 18.14 25.92 103.17 138.12 -97.72 67.77 88.87 1.10 10.03 70.07 10.56 7.96 7.70 2.45 0.00 0.46 0.80 28 Y H H 32.73 20.49 12.93 32.85 94.82 150.66 -70.69 -28.70 34.67 1.07 64.26 19.82 6.63 10.55 51.17 10.69 0.06 0.53 0.55 29 S H H 46.34 12.70 15.20 28.17 91.90 67.86 -63.38 -30.58 16.99 0.40 82.61 4.59 2.85 9.58 66.51 15.97 0.10 0.24 0.16 30 E H H 145.14 1.49 19.95 20.48 93.48 52.21 -73.99 -28.51 14.05 0.35 85.60 2.47 2.10 9.13 69.57 16.25 0.14 0.21 0.13 31 R H H 108.39 9.65 17.47 27.37 99.30 41.80 -85.80 -31.79 18.56 0.42 81.02 2.75 3.36 12.94 70.08 10.14 0.29 0.21 0.23 32 V H H 28.80 18.98 13.01 30.99 104.69 32.20 -103.94 -13.32 36.08 2.44 61.48 8.78 14.56 17.29 52.91 3.20 0.58 0.68 2.00 33 G C C 31.85 5.46 19.51 25.85 125.22 -133.08 85.69 -171.59 65.24 1.34 33.42 40.65 7.74 15.31 7.14 27.67 0.00 0.66 0.82 34 A C T 80.75 5.48 17.49 24.16 94.35 -45.69 -66.95 -15.58 59.40 0.29 40.31 1.81 5.09 52.20 6.04 34.42 0.01 0.15 0.27 35 G C T 29.62 10.89 19.72 30.84 93.65 54.69 -75.38 -8.73 53.96 0.18 45.86 3.58 3.97 45.48 11.28 35.40 0.01 0.09 0.17 36 A H H 8.63 20.61 17.83 38.77 92.78 98.66 -61.41 -41.36 6.55 0.03 93.42 4.50 1.19 1.29 92.07 0.92 0.00 0.01 0.01 37 P H H 24.46 19.61 21.90 40.47 91.97 53.38 -63.77 -39.69 1.28 0.00 98.72 0.37 0.12 0.65 98.36 0.49 0.00 0.00 0.00 38 V H H 58.92 10.34 26.71 37.04 91.97 50.39 -64.79 -41.75 0.23 0.00 99.77 0.05 0.02 0.12 99.58 0.24 0.00 0.00 0.00 39 Y H H 53.43 15.77 26.20 41.41 91.99 49.36 -64.91 -42.50 0.11 0.00 99.89 0.02 0.01 0.06 99.85 0.07 0.00 0.00 0.00 40 L H H 4.51 25.17 24.38 48.93 91.63 49.83 -64.48 -42.90 0.11 0.00 99.89 0.02 0.01 0.06 99.90 0.02 0.00 0.00 0.00 41 A H H 16.04 17.94 25.28 42.78 91.28 51.63 -63.00 -42.04 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 42 A H H 30.68 9.74 27.42 38.17 91.50 50.66 -63.75 -41.94 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 43 V H H 10.12 21.06 24.75 45.23 91.51 49.70 -64.74 -42.79 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 44 L H H 6.37 24.54 23.36 47.27 91.36 50.86 -63.59 -42.18 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 45 E H H 75.73 11.84 26.25 37.87 91.49 51.43 -63.64 -41.42 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 46 Y H H 74.94 11.26 26.25 37.68 91.79 49.30 -65.15 -41.68 0.14 0.00 99.85 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 47 L H H 7.94 22.60 22.81 44.87 91.54 49.40 -65.06 -42.48 0.25 0.00 99.75 0.03 0.01 0.16 99.77 0.03 0.00 0.00 0.00 48 T H H 19.10 19.97 23.09 42.03 91.58 51.36 -63.52 -41.85 0.35 0.00 99.65 0.04 0.02 0.22 99.67 0.05 0.00 0.00 0.00 49 A H H 38.46 8.00 25.20 33.79 91.51 51.54 -63.95 -41.59 0.25 0.00 99.75 0.02 0.01 0.17 99.73 0.07 0.00 0.00 0.00 50 E H H 59.92 11.33 25.04 36.48 91.77 49.60 -65.45 -41.19 0.35 0.00 99.65 0.03 0.02 0.24 99.61 0.10 0.00 0.00 0.00 51 I H H 5.19 24.43 20.64 44.88 91.41 49.99 -64.35 -43.25 0.42 0.00 99.58 0.06 0.02 0.27 99.53 0.12 0.00 0.00 0.00 52 L H H 41.59 16.09 22.66 37.99 91.53 50.59 -63.26 -41.87 0.76 0.01 99.23 0.12 0.05 0.49 99.05 0.28 0.00 0.00 0.00 53 E H H 107.28 4.14 26.28 30.55 91.70 50.17 -64.47 -40.88 2.85 0.02 97.12 0.35 0.19 2.13 96.66 0.64 0.00 0.01 0.00 54 L H H 32.31 14.98 21.84 36.76 92.15 48.83 -66.56 -39.43 7.09 0.06 92.86 0.88 0.61 5.39 92.08 0.98 0.02 0.03 0.02 55 A H H 11.36 20.53 18.23 38.26 92.79 51.88 -67.69 -35.36 18.77 0.30 80.93 3.55 2.49 12.93 78.76 1.92 0.07 0.13 0.15 56 G H H 28.40 10.72 20.93 31.47 97.11 54.97 -61.46 -39.25 39.60 1.00 59.40 9.71 5.83 25.16 53.73 4.47 0.12 0.52 0.46 57 N H H 90.66 5.46 21.97 27.42 97.81 43.65 -77.99 -20.43 42.86 2.67 54.48 14.84 8.81 21.02 44.55 7.95 0.18 1.81 0.85 58 A H H 32.17 11.86 16.40 29.06 96.83 65.59 -74.80 -25.42 41.33 7.08 51.58 19.28 8.41 15.81 40.27 9.31 0.23 5.19 1.51 59 A C H 32.37 13.23 13.09 26.82 100.31 68.81 -79.64 -12.39 45.58 10.90 43.52 25.91 8.05 13.58 34.09 7.93 0.19 7.96 2.29 60 R C H 142.36 4.70 14.53 20.45 103.73 76.90 -81.86 2.15 52.64 11.16 36.21 25.22 11.04 17.89 28.70 6.37 0.54 7.42 2.82 61 D C T 105.87 2.94 13.51 17.34 101.60 39.62 -83.89 26.43 70.86 3.68 25.46 23.58 16.29 31.47 19.45 5.63 0.10 2.23 1.25 62 N C T 99.16 5.37 11.62 18.36 102.79 22.16 -82.13 39.95 81.72 1.14 17.14 26.31 19.16 36.59 11.14 5.63 0.01 0.53 0.63 63 K C C 140.31 4.20 12.96 18.45 99.10 128.26 -76.53 6.52 77.17 2.14 20.68 29.36 21.71 26.64 12.61 7.57 0.02 1.06 1.03 64 K C C 116.70 6.45 14.45 21.99 108.33 92.31 -89.35 84.01 69.17 7.11 23.71 35.92 17.82 15.93 15.24 8.31 0.07 4.46 2.25 65 T C C 60.55 11.70 14.82 26.80 109.96 88.78 -94.90 98.27 66.37 11.51 22.11 44.17 12.57 9.38 15.34 7.33 0.05 8.64 2.53 66 R C C 107.14 10.19 20.44 30.48 116.40 78.28 -100.05 133.72 62.51 17.41 20.08 39.63 15.32 7.57 14.80 5.98 0.07 13.27 3.37 67 I C C 21.71 21.59 15.77 36.77 113.03 -126.53 -91.05 120.41 61.51 22.82 15.66 45.60 11.54 3.57 13.22 3.40 0.04 12.91 9.72 68 I C C 48.95 11.47 22.66 34.33 118.97 -150.98 -92.81 144.34 80.17 2.50 17.33 71.85 5.55 1.39 18.50 0.71 0.00 1.44 0.57 69 P H H 45.38 15.79 17.37 32.80 93.42 -115.09 -58.56 -38.33 10.14 0.31 89.55 5.00 1.44 4.09 87.38 1.82 0.01 0.20 0.07 70 R H H 130.63 4.78 23.09 28.21 91.89 53.53 -64.05 -38.63 4.53 0.11 95.35 1.44 0.56 2.59 93.36 1.94 0.01 0.08 0.02 71 H H H 43.52 15.45 20.85 35.93 92.31 49.71 -66.18 -40.64 2.12 0.08 97.80 0.82 0.28 1.08 95.69 2.07 0.00 0.06 0.01 72 L H H 5.72 24.36 18.40 42.75 91.64 50.69 -64.25 -42.55 1.36 0.05 98.59 0.54 0.17 0.66 97.64 0.95 0.00 0.04 0.01 73 Q H H 69.11 11.58 23.54 34.81 91.44 51.68 -63.05 -41.73 1.48 0.07 98.44 0.43 0.15 0.86 97.79 0.69 0.00 0.05 0.01 74 L H H 51.91 6.84 24.29 31.86 91.53 50.55 -63.92 -42.24 1.69 0.10 98.22 0.40 0.19 1.07 97.39 0.86 0.01 0.08 0.01 75 A H H 7.29 17.88 18.54 37.31 91.72 50.45 -64.01 -42.08 2.42 0.11 97.46 0.64 0.27 1.47 96.31 1.20 0.01 0.08 0.01 76 I H H 22.54 19.34 17.63 36.56 92.75 48.16 -67.10 -38.67 4.90 0.11 94.99 0.78 0.48 3.58 93.05 1.99 0.03 0.07 0.03 77 R H H 135.94 5.47 20.75 26.77 92.49 51.98 -68.82 -30.61 14.99 0.09 84.93 0.89 1.10 12.92 83.54 1.41 0.05 0.03 0.05 78 N C T 89.76 5.58 17.98 24.10 100.80 34.55 -101.88 6.85 61.36 0.30 38.33 10.12 7.41 42.20 38.16 1.78 0.02 0.11 0.19 79 D C C 46.84 15.98 11.10 26.24 106.13 121.88 -85.41 95.45 63.92 0.49 35.58 55.20 5.17 2.80 34.87 1.52 0.00 0.15 0.30 80 E H H 134.20 2.14 18.29 20.70 93.55 58.56 -64.79 -37.67 7.02 0.07 92.91 1.49 1.00 4.51 88.93 4.00 0.02 0.03 0.02 81 E H H 89.43 6.17 18.83 25.79 92.29 51.15 -65.73 -40.07 4.06 0.08 95.87 1.01 0.45 2.64 92.07 3.74 0.01 0.05 0.02 82 L H H 7.02 22.76 12.83 35.68 91.91 50.45 -64.38 -42.08 2.10 0.06 97.83 0.65 0.27 1.19 94.69 3.13 0.01 0.05 0.01 83 N H H 61.03 12.22 17.23 29.72 91.35 53.70 -63.44 -38.41 2.41 0.05 97.54 0.61 0.26 1.50 94.90 2.68 0.01 0.04 0.01 84 K H H 139.03 1.76 22.26 22.99 92.03 52.56 -65.83 -38.48 4.45 0.05 95.50 0.40 0.33 3.77 92.05 3.37 0.02 0.03 0.01 85 L H H 40.93 15.02 18.09 32.91 94.52 46.17 -72.20 -38.93 7.01 0.08 92.91 0.40 0.56 6.31 90.57 2.02 0.06 0.04 0.03 86 L H H 16.22 21.55 15.00 36.02 97.31 36.74 -91.63 -15.16 25.69 1.05 73.26 4.05 4.54 18.60 69.19 2.32 0.30 0.46 0.55 87 G C T 35.51 6.25 20.24 27.30 109.80 -147.74 70.42 -128.53 76.40 3.97 19.63 20.11 13.55 42.50 13.89 6.01 0.06 2.76 1.12 88 R C T 148.53 4.78 20.81 26.16 113.76 -8.29 -99.92 128.32 68.57 12.38 19.05 22.27 14.62 32.71 10.79 7.67 0.12 10.22 1.59 89 V C C 30.34 20.71 12.78 32.45 119.19 -166.62 -104.01 131.56 63.99 22.24 13.77 53.14 6.68 3.29 10.03 4.21 0.02 20.30 2.33 90 T E E 66.77 7.49 23.02 30.69 117.67 -162.10 -108.63 130.19 42.38 44.99 12.64 35.65 3.18 2.20 10.21 3.29 0.03 40.59 4.86 91 I E E 47.44 18.32 15.44 32.59 111.17 -165.46 -95.07 104.15 34.13 45.28 20.59 25.56 4.61 3.93 14.86 6.84 0.09 40.13 3.97 92 A C E 45.67 11.20 16.16 27.63 109.80 81.73 -81.34 107.62 41.05 29.46 29.49 25.48 7.65 10.00 12.27 15.67 0.12 26.44 2.37 93 Q C T 123.55 4.83 17.46 22.93 103.81 -5.05 -85.87 53.51 49.58 18.58 31.85 15.14 11.41 26.10 9.09 20.32 0.39 14.77 2.77 94 G C T 42.75 8.02 17.09 25.32 104.30 -14.91 84.49 2.75 70.00 5.19 24.82 14.42 15.63 40.96 5.82 17.92 0.07 3.58 1.61 95 G C T 29.09 12.66 16.79 29.05 114.47 -69.46 90.00 93.51 78.00 13.01 8.99 27.11 24.98 27.72 2.72 5.62 0.05 9.44 2.36 96 V C C 52.63 14.27 17.15 31.33 119.72 -75.00 -104.42 135.45 59.77 34.05 6.18 36.43 17.81 5.28 4.17 2.69 0.16 18.63 14.85 97 L C C 37.47 16.40 15.51 31.99 112.20 -126.70 -88.18 123.17 78.33 14.59 7.08 62.82 11.89 3.10 5.26 2.41 0.01 11.29 3.23 98 P C T 72.61 8.30 17.89 26.86 99.71 -125.61 -63.21 -28.28 63.73 7.67 28.60 18.53 9.23 35.11 19.66 9.71 0.16 6.19 1.41 99 N C T 97.41 6.53 19.46 26.36 96.46 36.92 -69.61 10.91 60.88 6.82 32.30 16.95 8.83 34.11 23.06 10.14 0.22 5.23 1.47 100 I H H 28.72 19.99 14.18 33.03 98.96 85.79 -82.95 -20.99 39.96 14.30 45.74 26.58 7.07 7.29 32.27 13.09 0.11 11.35 2.23 101 Q H H 83.34 12.38 18.67 30.49 95.03 73.28 -66.25 -34.31 26.13 16.92 56.94 16.76 4.56 5.94 37.07 18.81 0.12 15.19 1.55 102 A H H 46.13 10.68 18.01 29.08 95.06 58.41 -70.05 -26.47 19.76 15.67 64.57 10.84 3.86 6.07 37.38 25.99 0.13 14.71 1.03 103 V H H 53.46 13.50 18.50 31.57 97.20 53.78 -79.37 -24.02 23.71 17.83 58.46 11.05 4.80 8.74 34.47 23.41 0.27 15.83 1.42 104 L H H 47.22 16.55 17.68 33.20 99.46 53.15 -88.45 -10.82 35.09 20.13 44.78 14.76 8.69 13.72 25.92 17.68 0.93 15.10 3.19 105 L C S 50.61 14.83 15.92 30.71 115.53 93.74 -93.35 128.02 87.47 8.25 4.28 37.14 48.66 2.20 3.79 0.92 0.00 5.61 1.67 106 P C C 57.66 10.40 15.18 26.47 112.83 -113.13 -67.67 147.65 80.58 7.95 11.47 68.63 6.50 4.65 8.92 3.09 0.00 6.10 2.13 107 K C C 123.33 6.26 15.01 22.54 109.60 -112.48 -74.99 132.84 68.56 5.18 26.26 46.14 12.53 9.31 19.37 7.43 0.02 3.07 2.12 108 K C C 118.08 6.59 13.81 21.53 107.66 -112.04 -76.08 62.41 64.15 4.09 31.75 41.04 12.69 10.42 23.06 8.81 0.02 2.44 1.53 109 T C C 66.51 8.10 12.42 21.62 106.65 63.84 -83.56 24.33 59.62 3.07 37.31 40.31 10.50 8.94 28.33 8.99 0.01 1.77 1.15 110 E C H 115.22 4.75 14.02 19.98 97.13 56.02 -71.11 -30.29 53.64 1.91 44.46 32.88 11.07 10.28 35.84 8.16 0.02 0.99 0.76 111 S C H 59.63 5.60 13.65 20.50 97.61 60.33 -74.16 -25.76 53.51 1.35 45.13 32.12 10.57 11.34 36.82 7.87 0.01 0.68 0.59 112 H C H 90.14 8.74 12.51 22.24 98.01 59.89 -76.73 -24.41 50.54 1.45 48.01 29.48 11.26 10.68 39.73 7.49 0.02 0.72 0.62 113 H C H 100.72 7.05 13.13 21.35 100.40 63.60 -77.98 -17.66 53.15 1.84 45.01 34.30 9.61 9.76 38.24 6.36 0.02 0.95 0.77 114 K C C 127.54 3.79 14.12 18.89 101.24 63.38 -76.76 -17.91 56.29 2.80 40.91 37.83 9.20 9.51 35.39 5.37 0.02 1.49 1.18 115 A C C 58.22 7.45 10.29 18.97 101.20 66.45 -79.19 -8.43 64.21 2.88 32.91 42.83 9.83 11.24 28.34 4.96 0.01 1.55 1.23 116 K C C 135.74 4.22 10.45 16.29 105.81 76.45 -83.67 54.18 72.02 2.82 25.16 33.60 12.84 26.14 20.33 4.44 0.03 1.45 1.18 117 G C C 55.14 2.68 11.34 15.41 106.40 19.72 71.69 0.16 87.75 0.99 11.25 52.30 5.43 30.77 8.29 2.19 0.00 0.53 0.49 118 K C C 145.02 3.05 12.27 16.84 107.00 69.63 -84.94 83.11 99.78 0.12 0.10 99.42 0.26 0.18 0.05 0.01 0.00 0.06 0.03