# 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 43.51 5.39 13.34 20.16 121.60 -165.57 110.43 172.47 99.84 0.13 0.04 99.66 0.15 0.08 0.02 0.00 0.00 0.06 0.02 1 S C C 82.79 3.23 10.85 15.76 113.73 -93.01 -93.24 140.35 81.91 3.98 14.11 73.74 2.23 6.05 11.03 2.86 0.00 2.22 1.86 2 I C C 117.71 4.13 8.95 14.83 110.31 -146.86 -91.60 112.79 67.89 6.90 25.21 43.70 14.03 10.19 19.60 5.94 0.04 4.02 2.46 3 S C C 73.36 4.16 10.37 16.15 110.66 -137.97 -88.72 130.56 64.87 5.30 29.82 45.07 10.24 9.35 23.53 6.70 0.02 3.41 1.69 4 Q C H 120.61 4.48 10.96 16.97 104.16 -146.24 -83.41 22.81 53.97 3.80 42.23 32.67 11.37 11.27 32.93 8.14 0.05 2.23 1.33 5 S C H 68.68 4.91 11.93 18.22 106.83 78.77 -84.76 48.39 54.11 2.95 42.94 30.80 11.36 13.33 34.01 7.70 0.05 1.70 1.06 6 D C H 95.51 5.27 12.20 18.74 102.15 57.35 -82.63 2.94 51.91 2.87 45.22 30.42 10.67 12.16 36.39 7.63 0.04 1.66 1.02 7 A H H 64.99 6.31 11.61 19.25 102.95 85.04 -80.36 -2.21 47.13 3.90 48.98 27.39 10.07 11.18 38.10 9.53 0.07 2.52 1.15 8 S C H 72.75 4.71 13.29 19.25 104.26 72.55 -82.03 16.80 48.73 7.12 44.15 29.44 8.40 11.61 34.32 9.23 0.07 5.35 1.59 9 L C H 99.42 7.12 11.62 19.88 106.42 92.83 -87.98 49.71 46.41 13.48 40.10 27.18 8.97 11.01 30.00 9.58 0.17 10.56 2.53 10 A C C 69.64 5.68 12.76 19.79 111.30 123.98 -88.69 121.50 54.30 16.09 29.61 31.57 10.81 11.93 23.49 6.49 0.16 12.90 2.67 11 A C C 74.31 5.23 12.94 19.70 111.73 -134.08 -88.96 122.09 62.72 16.24 21.04 35.61 14.35 12.47 16.12 5.50 0.16 12.85 2.95 12 V C C 76.60 8.55 11.19 21.13 117.44 -153.44 -100.35 131.95 79.14 11.84 9.01 54.16 21.76 3.18 7.75 1.83 0.02 9.06 2.23 13 P C C 79.74 5.35 14.44 21.14 112.91 -109.28 -67.34 147.85 76.88 9.81 13.31 64.11 6.17 5.49 10.33 3.60 0.00 8.63 1.67 14 A C C 65.63 7.55 11.92 20.71 111.32 -108.09 -74.87 138.17 64.48 12.30 23.23 43.64 11.37 9.05 15.27 8.57 0.04 9.18 2.87 15 V C C 82.83 8.06 11.29 20.45 110.61 -141.61 -89.57 123.41 52.29 18.18 29.53 32.60 10.85 9.15 17.64 12.18 0.16 14.01 3.42 16 D C C 101.47 4.27 13.03 18.73 104.98 -159.26 -89.40 39.80 54.43 17.57 28.00 33.42 10.77 10.52 14.46 13.58 0.11 14.25 2.89 17 Q C C 114.50 4.88 13.15 19.37 105.18 99.36 -92.18 24.46 57.69 19.52 22.79 33.71 12.20 12.83 10.65 11.74 0.14 15.36 3.38 18 F C C 108.73 8.49 11.10 20.65 110.87 111.26 -96.18 105.76 64.15 22.29 13.56 37.69 17.82 9.19 7.23 6.23 0.27 13.80 7.78 19 D C C 67.04 6.23 11.75 19.83 110.68 -155.88 -99.77 112.54 90.18 8.78 1.04 70.64 17.74 1.66 0.50 0.57 0.00 5.57 3.33 20 P C T 91.04 5.46 10.58 18.14 93.49 -154.33 -63.34 -24.24 72.75 1.68 25.57 19.03 9.43 44.25 3.86 21.68 0.01 1.02 0.71 21 S C T 89.75 1.47 11.89 13.84 95.02 61.65 -76.40 -16.56 69.17 1.87 28.96 11.35 11.16 46.40 4.61 24.39 0.02 1.11 0.96 22 S C T 68.70 4.50 10.84 16.79 99.04 58.96 -87.84 1.29 67.10 2.76 30.14 15.76 19.05 33.59 3.80 24.86 0.03 1.35 1.56 23 G C T 52.55 3.53 12.54 17.48 100.72 -109.60 79.13 7.17 85.74 3.07 11.19 28.96 21.37 36.14 2.27 8.29 0.01 1.53 1.43 24 A C C 61.42 6.81 10.88 19.26 113.05 134.99 -85.37 137.52 81.37 8.42 10.21 44.96 20.53 15.99 2.28 8.01 0.01 4.22 4.00 25 S C C 77.08 4.27 13.55 19.38 117.07 -153.62 -99.52 140.23 80.48 10.94 8.58 38.48 21.15 21.89 1.86 6.49 0.02 5.99 4.11 26 G C C 40.76 7.16 14.00 22.27 117.36 -59.30 99.77 -2.82 84.88 8.65 6.47 38.48 21.41 25.83 1.05 5.51 0.01 5.44 2.27 27 G C C 40.12 8.31 14.83 23.79 117.82 -108.98 -122.90 163.34 80.18 13.67 6.15 47.29 19.15 13.84 1.27 5.37 0.01 9.10 3.96 28 Y C C 106.02 11.44 12.66 24.46 116.92 -125.11 -101.03 136.19 73.96 22.05 3.99 48.36 17.10 7.91 1.23 3.17 0.02 14.00 8.21 29 D C C 98.50 5.17 16.32 22.63 110.23 -150.87 -92.13 104.47 84.22 14.18 1.60 58.13 22.28 3.79 0.48 1.28 0.00 9.84 4.19 30 T C C 60.96 10.72 12.86 24.34 117.63 -152.35 -102.44 133.30 92.95 6.33 0.72 72.17 19.36 1.52 0.27 0.48 0.00 4.24 1.95 31 P C C 70.02 8.57 13.46 23.23 108.26 -116.72 -67.27 144.55 87.17 4.66 8.16 58.68 10.92 17.07 1.46 7.33 0.00 2.93 1.61 32 L C T 107.68 6.62 13.42 21.20 109.18 -118.31 -81.82 118.82 84.80 5.22 9.99 25.05 17.69 42.50 1.71 8.05 0.01 2.93 2.06 33 G C T 47.55 5.37 15.01 21.31 105.03 7.46 87.99 -2.71 85.50 5.59 8.91 29.91 19.65 36.78 1.38 7.26 0.01 3.29 1.72 34 I C C 76.82 11.53 11.50 23.45 113.86 115.70 -92.92 125.91 81.44 12.67 5.89 50.72 18.35 12.04 1.62 4.48 0.01 6.59 6.20 35 T C C 83.56 6.20 15.79 23.02 108.60 -152.73 -96.47 35.51 85.32 11.35 3.33 39.87 34.62 11.67 0.93 2.41 0.01 6.47 4.02 36 N C S 83.48 9.46 15.25 25.42 114.95 38.60 -109.68 112.99 94.95 4.74 0.31 33.60 60.79 1.32 0.11 0.17 0.00 2.71 1.30 37 P C C 44.04 11.23 14.73 27.21 116.05 -126.07 -68.54 153.59 98.01 1.65 0.34 86.40 11.08 0.70 0.20 0.12 0.00 0.93 0.58 38 P C C 59.28 6.26 19.45 26.57 110.58 -101.17 -65.91 144.03 92.94 5.27 1.79 90.21 1.92 0.85 1.44 0.30 0.00 1.69 3.60 39 I H H 41.35 18.56 12.56 30.63 93.23 -126.62 -61.35 -38.01 8.92 0.21 90.87 3.83 2.04 4.06 83.21 6.64 0.03 0.10 0.10 40 D H H 89.21 4.75 17.63 23.43 92.17 56.19 -64.16 -38.87 4.10 0.06 95.85 0.82 0.49 2.59 87.81 8.22 0.01 0.04 0.01 41 E H H 101.00 2.84 18.81 21.39 92.42 49.87 -67.29 -38.62 2.42 0.04 97.54 0.47 0.26 1.55 88.49 9.19 0.00 0.03 0.01 42 L H H 20.30 16.88 13.13 30.50 92.65 51.96 -65.48 -41.25 2.76 0.05 97.19 0.57 0.34 1.74 89.89 7.42 0.01 0.04 0.01 43 L H H 50.73 14.13 13.31 27.74 91.73 54.82 -66.36 -31.84 7.03 0.10 92.86 0.97 0.64 5.06 81.67 11.52 0.04 0.06 0.03 44 D H H 117.54 1.23 18.60 18.71 92.09 55.52 -72.45 -22.43 23.03 0.10 76.87 1.17 1.41 19.95 68.44 8.85 0.07 0.05 0.07 45 R H H 137.39 4.57 16.44 21.86 98.10 45.13 -91.52 -18.75 32.37 0.17 67.45 2.11 3.33 26.68 61.80 5.78 0.10 0.07 0.13 46 V C C 27.38 17.67 8.23 25.07 124.53 58.49 -119.86 143.30 80.95 1.65 17.40 58.11 14.39 6.53 17.77 1.30 0.00 0.46 1.45 47 S C S 92.02 1.50 18.31 19.44 96.87 -155.90 -82.29 -21.19 98.45 0.51 1.04 45.20 48.67 4.65 0.72 0.30 0.00 0.19 0.27 48 S C S 43.81 6.33 20.00 27.05 136.90 21.05 -140.93 159.75 96.28 1.92 1.79 30.85 64.06 1.22 1.58 0.26 0.00 0.40 1.63 49 K H H 75.68 16.58 16.72 32.53 92.06 -114.32 -61.38 -36.68 2.69 0.01 97.30 0.39 0.52 1.65 96.91 0.52 0.00 0.00 0.00 50 Y H H 100.07 11.09 21.63 32.59 91.78 55.32 -63.74 -40.76 1.63 0.00 98.36 0.20 0.14 1.20 97.88 0.57 0.00 0.00 0.00 51 A H H 26.64 9.69 22.94 33.68 91.47 50.77 -64.74 -41.22 0.34 0.00 99.66 0.07 0.03 0.20 99.31 0.39 0.00 0.00 0.00 52 L H H 10.01 21.42 20.76 41.94 91.22 51.26 -63.47 -43.27 0.08 0.00 99.92 0.01 0.00 0.04 99.89 0.05 0.00 0.00 0.00 53 V H H 17.44 19.79 23.60 42.69 91.41 50.10 -63.88 -42.88 0.05 0.00 99.95 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 54 I H H 59.18 9.35 27.40 37.33 91.55 49.69 -63.76 -42.80 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 55 Y H H 41.00 14.19 26.32 40.77 91.66 49.26 -64.25 -42.95 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 56 A H H 3.72 23.38 23.14 46.34 91.46 50.20 -63.89 -43.00 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 57 A H H 19.88 15.35 24.51 39.76 91.44 51.38 -63.28 -42.47 0.10 0.00 99.90 0.00 0.00 0.07 99.92 0.01 0.00 0.00 0.00 58 K H H 91.33 6.09 28.31 35.13 91.50 49.84 -63.97 -42.05 0.17 0.00 99.83 0.01 0.01 0.11 99.86 0.01 0.00 0.00 0.00 59 R H H 39.38 16.30 24.48 40.28 91.92 49.68 -65.17 -41.62 0.17 0.00 99.83 0.01 0.01 0.10 99.86 0.01 0.00 0.00 0.00 60 A H H 7.48 20.95 20.21 41.07 91.27 51.92 -62.76 -42.33 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 61 R H H 116.53 5.75 25.71 31.83 91.45 50.69 -63.46 -41.79 0.19 0.00 99.81 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 62 Q H H 76.62 6.32 24.54 31.17 91.66 49.81 -64.28 -42.02 0.35 0.00 99.65 0.03 0.01 0.24 99.66 0.05 0.00 0.00 0.00 63 I H H 13.83 19.33 18.86 38.41 91.70 49.26 -64.32 -42.45 0.58 0.00 99.41 0.08 0.04 0.37 99.40 0.11 0.00 0.00 0.00 64 N H H 46.21 12.42 19.84 32.58 91.44 51.34 -63.45 -41.39 1.33 0.00 98.67 0.21 0.09 0.86 98.58 0.25 0.00 0.00 0.00 65 D H H 78.68 2.47 22.75 23.90 91.76 49.71 -64.90 -40.51 2.95 0.02 97.03 0.40 0.23 2.10 96.62 0.62 0.00 0.01 0.00 66 Y H H 68.49 8.63 18.23 28.21 92.34 49.33 -65.66 -41.19 4.22 0.05 95.72 0.77 0.46 2.89 94.76 1.07 0.01 0.03 0.01 67 Y H H 44.31 15.10 13.35 28.87 92.43 51.40 -64.91 -40.62 6.41 0.15 93.44 1.83 0.94 3.87 91.49 1.73 0.02 0.08 0.05 68 N H H 102.95 3.15 16.14 20.21 92.47 51.68 -65.77 -36.72 11.97 0.19 87.84 2.45 1.37 8.32 84.96 2.67 0.05 0.12 0.07 69 Q H H 128.90 1.62 15.76 17.14 94.05 50.95 -71.17 -30.67 19.84 0.24 79.92 2.90 2.53 14.84 76.59 2.80 0.09 0.12 0.12 70 L H H 78.04 7.80 11.66 20.75 97.67 48.61 -85.01 -12.25 43.36 0.91 55.73 8.94 10.15 26.00 51.05 2.80 0.18 0.33 0.56 71 G C T 45.66 3.63 14.08 18.87 110.26 -117.33 78.08 11.70 78.48 1.00 20.52 33.71 10.37 34.74 12.94 7.17 0.00 0.49 0.57 72 E C T 130.42 4.19 12.96 18.47 103.84 -34.26 -79.57 29.81 66.72 1.21 32.07 17.00 13.91 36.05 17.09 14.53 0.05 0.58 0.81 73 G C T 40.39 5.55 14.71 21.37 103.58 35.53 46.89 -23.48 64.23 1.66 34.11 22.21 12.53 30.20 18.11 15.15 0.04 0.82 0.93 74 I H H 69.55 10.13 13.37 24.35 101.17 76.15 -78.92 -17.51 47.17 5.03 47.80 28.33 8.68 10.54 28.59 19.14 0.04 3.25 1.42 75 L H H 66.85 12.11 12.95 25.21 101.09 72.35 -77.40 -19.00 39.81 9.93 50.26 23.41 7.35 9.72 27.84 22.36 0.09 7.51 1.74 76 E H H 116.33 5.32 16.02 22.33 101.20 75.10 -79.26 -7.83 41.77 12.26 45.98 23.45 7.75 11.07 25.14 20.98 0.11 9.64 1.87 77 Y C C 127.85 7.32 14.54 22.68 102.73 59.92 -88.11 -2.82 47.88 14.10 38.02 26.27 9.33 12.89 22.47 15.52 0.19 10.57 2.74 78 V C C 66.60 11.20 13.05 24.63 106.43 74.72 -93.84 23.23 64.47 13.63 21.90 36.05 16.78 12.05 16.81 5.39 0.22 8.85 3.85 79 G C C 31.37 7.96 15.58 24.40 124.71 -104.15 117.14 -177.06 83.35 6.96 9.69 43.61 25.27 15.25 4.31 5.11 0.02 4.40 2.03 80 P C C 81.12 6.15 15.94 23.05 102.19 -25.53 -70.14 19.20 79.54 3.62 16.85 33.21 18.27 29.12 5.60 10.38 0.02 2.06 1.35 81 L C C 81.29 10.34 15.13 25.71 99.77 76.48 -80.71 -14.39 71.99 10.97 17.04 30.21 18.20 25.18 6.21 9.99 0.10 6.39 3.73 82 V C C 48.81 14.44 11.71 26.09 113.02 68.31 -101.92 116.84 71.20 14.57 14.23 39.21 22.16 10.12 6.76 7.41 0.10 7.15 7.09 83 E C C 106.98 5.48 15.14 21.91 116.26 -145.06 -91.00 136.57 91.92 3.95 4.12 66.77 21.54 3.48 2.40 1.84 0.00 2.13 1.84 84 P C T 94.59 4.95 13.33 19.78 105.66 -104.97 -65.34 130.18 76.67 1.16 22.17 17.68 10.85 48.00 8.68 13.46 0.01 0.65 0.66 85 G C T 47.63 4.60 15.24 20.84 98.99 28.34 65.78 -9.21 74.36 1.00 24.64 17.15 10.60 46.47 9.14 15.47 0.01 0.54 0.62 86 L C C 60.67 13.15 11.47 24.65 99.65 91.77 -77.47 -16.31 63.42 1.97 34.61 31.64 12.75 19.26 9.94 24.37 0.01 0.94 1.08 87 Q C C 101.27 8.58 14.84 24.03 100.85 76.37 -83.93 0.88 69.34 2.34 28.33 35.65 12.84 21.25 9.52 18.31 0.02 1.12 1.29 88 E C C 109.77 6.54 16.49 23.98 103.88 84.12 -85.04 -8.91 78.11 2.14 19.75 39.79 25.05 13.61 7.97 11.26 0.01 0.88 1.43 89 K C C 90.83 9.11 20.07 29.40 116.37 25.98 -92.76 131.47 96.93 0.83 2.24 68.77 27.13 0.79 2.16 0.31 0.00 0.24 0.60 90 P H H 27.90 19.29 19.00 37.82 92.85 -128.35 -59.55 -37.85 4.16 0.02 95.82 1.03 0.60 2.37 95.34 0.64 0.00 0.01 0.01 91 L H H 20.94 21.45 21.34 41.78 92.00 53.54 -64.33 -39.84 2.05 0.01 97.93 0.34 0.17 1.35 97.55 0.58 0.00 0.00 0.00 92 S H H 31.11 9.96 24.66 35.26 91.67 50.76 -64.51 -41.38 0.92 0.02 99.06 0.29 0.09 0.49 98.58 0.55 0.00 0.01 0.00 93 I H H 26.27 13.00 24.43 38.21 91.64 50.22 -64.04 -42.72 0.14 0.02 99.83 0.04 0.01 0.07 99.76 0.10 0.00 0.01 0.00 94 A H H 2.51 23.87 21.23 45.22 91.21 50.67 -63.34 -43.88 0.09 0.03 99.88 0.02 0.01 0.05 99.86 0.05 0.00 0.02 0.00 95 L H H 28.41 17.51 23.49 40.34 91.54 50.32 -63.48 -42.29 0.08 0.05 99.86 0.02 0.00 0.05 99.84 0.05 0.00 0.04 0.00 96 R H H 102.18 6.57 25.62 32.55 91.65 49.95 -64.33 -41.57 0.10 0.10 99.80 0.02 0.01 0.06 99.77 0.06 0.00 0.08 0.00 97 E H H 27.71 13.95 19.89 34.70 91.77 49.62 -64.85 -42.15 0.25 0.15 99.61 0.04 0.01 0.17 99.55 0.10 0.00 0.12 0.00 98 I H H 18.70 19.17 16.62 35.78 92.06 49.18 -64.34 -43.28 0.73 0.11 99.16 0.08 0.03 0.57 99.01 0.21 0.00 0.08 0.01 99 H H H 103.79 8.19 18.36 27.25 91.00 50.94 -65.21 -33.43 4.91 0.04 95.06 0.16 0.15 4.68 94.70 0.27 0.01 0.02 0.01 100 A C T 60.62 4.72 16.91 22.73 92.79 53.30 -84.99 -2.94 87.54 0.03 12.43 0.29 1.22 84.74 13.32 0.39 0.00 0.01 0.03 101 D C T 105.46 5.18 16.79 23.52 93.51 -118.79 61.72 33.55 98.95 0.02 1.03 0.85 1.76 96.60 0.66 0.11 0.00 0.01 0.01 102 L C S 53.93 11.40 16.29 28.87 95.35 133.11 -83.88 -17.58 97.59 1.71 0.70 42.31 51.72 3.85 0.24 0.42 0.00 1.07 0.38 103 L C E 16.29 22.92 12.21 34.50 126.47 49.03 -122.05 139.58 50.08 48.99 0.93 29.50 20.82 3.07 0.37 0.69 0.01 41.72 3.83 104 E E E 105.92 5.04 23.05 28.95 125.08 -169.18 -122.53 139.52 31.48 67.99 0.53 28.46 2.57 0.57 0.24 0.30 0.00 66.06 1.80 105 H E E 71.76 17.77 13.17 29.97 118.28 -143.49 -101.40 132.13 34.90 64.49 0.60 31.99 2.08 0.57 0.26 0.33 0.00 62.75 2.03 106 T C C 68.08 7.08 15.17 23.63 122.55 -171.32 -117.96 138.10 54.58 43.94 1.47 45.04 6.35 2.76 0.43 1.11 0.00 42.50 1.81 107 E C C 135.54 4.14 11.32 17.60 114.31 -138.09 -92.18 131.26 68.04 29.52 2.45 40.20 15.41 13.58 0.47 2.03 0.01 26.64 1.66 108 G C C 54.46 2.42 11.72 15.49 110.76 26.92 96.21 -131.61 90.20 8.45 1.35 73.99 4.46 11.19 0.27 0.96 0.00 8.29 0.84 109 E C C 139.31 2.98 11.77 16.29 110.96 -64.35 -87.62 121.33 99.70 0.27 0.03 99.55 0.16 0.08 0.01 0.01 0.00 0.18 0.02