# 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 K C C 142.16 3.55 16.73 21.42 110.75 -134.83 -84.93 128.09 99.76 0.11 0.13 99.57 0.16 0.10 0.08 0.01 0.00 0.05 0.02 1 A C C 55.85 11.11 10.28 21.75 114.47 -123.77 -76.26 140.66 80.64 2.31 17.05 75.48 1.41 4.58 13.72 2.50 0.00 1.27 1.04 2 K C C 124.04 5.49 13.49 20.55 112.99 -144.41 -89.44 134.21 73.51 4.20 22.28 54.12 11.10 7.72 18.11 4.91 0.01 2.41 1.62 3 T C C 71.06 8.17 13.58 22.87 116.42 -147.49 -97.83 141.02 64.74 6.66 28.60 46.64 10.21 7.55 22.59 6.56 0.02 4.23 2.20 4 R C C 117.31 9.55 14.97 25.08 103.89 -141.52 -86.13 -0.19 51.52 7.81 40.67 33.33 10.52 9.15 31.39 8.09 0.10 5.18 2.23 5 S C C 39.27 12.69 12.89 25.85 106.45 79.94 -80.38 66.87 50.90 8.16 40.93 32.91 9.40 9.85 31.07 8.81 0.09 5.70 2.17 6 S C H 66.55 7.02 15.18 23.03 98.54 81.29 -74.16 -23.83 50.59 7.55 41.87 29.89 10.02 12.06 30.12 10.55 0.12 5.15 2.10 7 R C H 142.11 5.60 15.57 22.30 95.54 65.70 -73.94 -18.50 50.85 7.48 41.67 19.79 12.81 20.06 28.07 11.52 0.50 4.66 2.59 8 A C T 41.84 12.79 14.09 27.04 97.34 54.12 -83.73 2.26 71.60 2.10 26.30 10.99 13.33 46.30 16.12 10.75 0.10 1.20 1.20 9 G C T 46.59 4.84 19.65 25.03 97.98 -103.07 83.22 6.59 89.26 2.22 8.52 18.97 17.22 53.67 3.27 4.71 0.01 1.43 0.73 10 L C C 28.22 19.58 11.97 31.05 116.33 130.84 -93.47 131.60 80.51 15.16 4.34 64.34 10.09 5.27 2.04 2.41 0.01 10.14 5.71 11 Q C C 110.74 5.86 22.18 28.58 112.33 -159.49 -101.47 114.23 78.45 18.67 2.88 55.96 18.56 3.70 1.82 1.34 0.01 12.81 5.79 12 F C C 31.26 20.50 14.73 34.59 120.73 119.63 -108.16 131.14 87.11 11.64 1.24 58.53 28.24 1.17 1.09 0.36 0.00 8.50 2.11 13 P C C 50.51 8.48 23.34 32.37 110.24 -112.31 -67.71 137.79 88.95 8.65 2.40 85.88 2.27 1.05 2.06 0.45 0.00 5.72 2.56 14 V H H 37.57 20.00 16.01 34.89 93.96 -128.76 -61.74 -36.45 19.14 0.40 80.47 7.33 3.23 9.39 77.52 2.11 0.04 0.19 0.19 15 G H H 32.40 6.15 21.78 28.51 92.54 56.31 -61.59 -41.31 10.10 0.17 89.72 2.60 1.51 6.25 87.67 1.77 0.04 0.09 0.07 16 R H H 96.88 8.39 22.72 31.16 92.33 50.58 -66.97 -39.22 3.39 0.11 96.50 1.44 0.55 1.62 94.93 1.35 0.01 0.07 0.02 17 V H H 3.40 25.01 16.83 42.09 91.60 51.04 -63.63 -43.70 1.41 0.06 98.53 0.57 0.20 0.69 97.94 0.54 0.01 0.04 0.01 18 H H H 56.97 14.14 21.11 34.92 91.48 51.12 -62.59 -42.13 1.07 0.04 98.89 0.35 0.13 0.57 98.51 0.40 0.00 0.03 0.00 19 R H H 120.63 2.73 24.28 25.97 91.63 50.51 -64.03 -42.44 1.27 0.04 98.68 0.30 0.15 0.78 98.31 0.41 0.01 0.03 0.01 20 L H H 21.02 13.78 18.05 33.10 91.74 49.67 -64.33 -41.98 1.72 0.06 98.22 0.43 0.22 1.06 97.67 0.55 0.01 0.04 0.01 21 L H H 17.64 21.04 14.06 34.67 92.08 50.51 -65.03 -39.39 3.32 0.08 96.60 0.69 0.34 2.30 95.44 1.15 0.02 0.05 0.02 22 R H H 149.98 4.36 18.18 23.66 91.93 51.96 -66.44 -33.26 10.85 0.08 89.07 0.78 0.79 9.30 87.92 1.10 0.05 0.04 0.04 23 K C T 139.21 1.97 17.81 19.25 94.97 47.93 -87.40 -7.16 56.28 0.16 43.56 1.38 3.28 49.97 43.65 1.50 0.04 0.05 0.12 24 G C T 37.65 9.39 14.12 24.22 103.68 -107.72 84.86 13.36 96.82 0.27 2.91 8.81 12.30 75.89 1.99 0.74 0.00 0.13 0.14 25 N C C 74.17 5.90 17.76 24.68 104.04 132.06 -99.30 76.33 92.51 0.93 6.56 79.75 7.40 5.46 4.54 1.77 0.00 0.40 0.69 26 Y H H 35.98 20.58 11.47 31.36 94.77 154.07 -70.11 -27.22 31.62 1.03 67.35 15.76 5.75 10.96 48.03 18.41 0.06 0.52 0.50 27 S H H 60.59 9.28 15.57 25.81 91.70 68.10 -63.90 -28.73 18.97 0.42 80.62 3.82 2.72 11.09 57.70 24.16 0.11 0.24 0.16 28 E H H 144.94 1.46 19.30 19.76 93.67 52.95 -76.33 -25.21 17.12 0.44 82.43 2.76 2.43 10.64 60.25 23.34 0.15 0.26 0.17 29 R H H 103.38 10.68 16.27 27.08 100.03 44.53 -89.90 -28.42 25.21 0.86 73.92 4.45 5.20 16.07 59.90 13.10 0.41 0.43 0.44 30 V C H 33.59 18.57 12.44 29.90 108.33 35.62 -107.83 2.98 48.98 7.08 43.94 15.89 21.43 14.95 36.27 3.55 0.62 1.71 5.58 31 G C C 33.46 5.16 18.98 24.95 125.79 -135.62 85.22 -170.31 74.86 2.16 22.99 48.36 10.88 14.65 6.23 17.50 0.00 1.01 1.37 32 A C T 86.87 3.55 16.90 21.72 94.80 -45.86 -66.74 -14.05 73.41 0.35 26.25 1.61 6.64 65.84 4.12 21.28 0.01 0.17 0.33 33 G C T 32.46 9.55 18.83 28.89 94.12 53.39 -75.01 -6.30 69.79 0.17 30.04 4.12 4.89 60.70 8.95 21.07 0.01 0.08 0.17 34 A H H 10.20 19.46 17.05 37.06 92.73 102.51 -61.22 -41.67 5.23 0.02 94.75 3.39 0.89 1.19 93.78 0.74 0.00 0.00 0.01 35 P H H 26.35 19.07 20.95 39.02 91.78 53.07 -63.70 -40.04 1.08 0.00 98.91 0.30 0.09 0.56 98.57 0.47 0.00 0.00 0.00 36 V H H 63.46 8.95 25.99 35.15 91.89 50.11 -65.05 -41.73 0.21 0.00 99.79 0.04 0.01 0.11 99.60 0.24 0.00 0.00 0.00 37 Y H H 61.66 14.26 25.67 39.48 91.82 49.37 -64.80 -42.54 0.11 0.00 99.89 0.02 0.01 0.06 99.85 0.07 0.00 0.00 0.00 38 L H H 6.97 24.42 23.53 47.28 91.57 49.84 -64.35 -42.77 0.12 0.00 99.88 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 39 A H H 16.78 17.33 24.37 41.30 91.21 51.47 -62.86 -41.99 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 40 A H H 34.98 8.17 26.86 36.05 91.43 50.70 -63.72 -42.15 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 41 V H H 14.39 19.46 24.22 43.25 91.32 49.94 -64.48 -42.85 0.12 0.00 99.88 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 42 L H H 6.93 24.25 22.55 46.18 91.49 50.83 -63.63 -42.00 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 43 E H H 80.58 11.34 25.41 36.56 91.39 51.67 -62.94 -41.55 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 44 Y H H 85.93 9.42 26.03 35.66 91.82 49.07 -65.08 -41.72 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 45 L H H 11.55 21.31 22.55 43.35 91.37 49.26 -65.00 -42.60 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 46 T H H 17.12 20.10 22.30 41.42 91.52 50.93 -63.58 -41.82 0.26 0.00 99.74 0.02 0.01 0.17 99.76 0.03 0.00 0.00 0.00 47 A H H 40.52 7.29 24.83 32.79 91.48 51.64 -63.77 -41.60 0.24 0.00 99.76 0.02 0.01 0.16 99.75 0.06 0.00 0.00 0.00 48 E H H 66.12 9.88 25.00 35.05 91.68 49.65 -65.27 -41.15 0.34 0.00 99.65 0.04 0.01 0.23 99.62 0.09 0.00 0.00 0.00 49 I H H 6.18 23.86 20.43 44.13 91.30 49.99 -64.04 -43.27 0.44 0.00 99.56 0.06 0.02 0.28 99.51 0.12 0.00 0.00 0.00 50 L H H 40.25 16.43 22.06 37.73 91.49 50.59 -63.18 -41.64 0.81 0.01 99.18 0.13 0.05 0.52 98.99 0.30 0.00 0.00 0.00 51 E H H 111.51 3.51 25.99 29.49 91.67 50.29 -64.34 -40.72 3.08 0.02 96.90 0.37 0.20 2.31 96.39 0.70 0.01 0.01 0.00 52 L H H 38.44 13.68 22.04 35.79 92.15 48.65 -66.67 -39.30 7.53 0.06 92.41 0.91 0.64 5.73 91.63 1.03 0.02 0.03 0.02 53 A H H 10.62 20.56 17.86 38.00 92.74 51.69 -67.67 -35.52 19.33 0.35 80.32 4.13 2.73 12.73 77.98 2.04 0.08 0.16 0.17 54 G H H 27.21 10.91 20.61 31.44 96.95 56.78 -59.15 -40.21 37.48 1.10 61.42 10.18 5.53 22.82 55.15 5.13 0.10 0.62 0.46 55 N H H 94.26 4.62 22.19 26.76 96.78 43.92 -77.25 -23.67 40.42 2.73 56.85 13.24 7.99 20.78 46.76 8.30 0.19 1.96 0.79 56 A H H 33.06 11.25 16.64 28.81 97.50 63.05 -74.22 -26.13 39.24 6.89 53.87 17.62 7.92 15.76 42.62 9.30 0.23 5.15 1.39 57 A H H 30.01 13.62 12.76 26.84 101.40 69.31 -79.88 -11.25 43.63 11.36 45.01 24.77 7.85 13.09 35.68 7.71 0.20 8.41 2.30 58 R C H 141.79 4.58 14.48 20.29 103.82 80.33 -81.99 -0.12 49.51 12.39 38.09 24.21 10.07 16.88 30.70 6.15 0.58 8.38 3.03 59 D C T 107.61 2.72 13.39 16.99 101.99 37.85 -81.68 15.75 68.72 4.12 27.16 21.75 15.51 31.80 21.37 5.56 0.13 2.54 1.34 60 N C T 101.17 4.87 11.61 17.89 102.21 26.92 -81.86 31.96 81.81 1.07 17.12 22.96 19.06 40.01 11.55 5.32 0.01 0.50 0.58 61 K C T 144.87 3.74 12.79 17.87 99.66 -141.30 -72.75 9.07 79.41 2.30 18.29 28.49 22.77 28.65 10.98 6.88 0.02 1.17 1.03 62 K C C 116.91 6.05 14.17 21.49 111.35 103.30 -91.12 123.96 71.29 8.44 20.26 37.84 18.75 15.21 12.61 7.57 0.06 5.42 2.55 63 T C C 62.15 11.53 14.53 26.43 111.88 -145.90 -97.02 113.91 68.97 12.75 18.28 46.65 13.00 9.06 12.28 6.51 0.03 9.91 2.55 64 R C C 109.71 9.62 20.74 30.30 118.69 -148.78 -102.37 137.63 64.95 19.13 15.93 42.09 15.66 6.97 11.57 5.13 0.05 15.06 3.48 65 I C C 19.40 22.24 14.82 36.65 113.01 -129.06 -92.01 123.15 63.59 25.83 10.58 48.80 10.69 2.73 8.86 2.58 0.03 14.39 11.91 66 I C C 53.27 10.05 22.71 33.17 119.39 -158.52 -92.96 145.07 88.02 2.46 9.52 82.44 4.28 0.83 10.03 0.44 0.00 1.46 0.52 67 P H H 49.79 14.80 16.65 31.39 92.82 -115.91 -57.75 -38.66 8.64 0.23 91.12 3.51 1.16 4.21 88.89 2.01 0.01 0.16 0.05 68 R H H 136.53 3.95 22.73 26.89 91.82 53.87 -63.73 -38.09 4.21 0.09 95.71 1.08 0.46 2.62 93.51 2.24 0.01 0.06 0.02 69 H H H 42.78 15.59 20.29 35.54 92.24 49.64 -66.24 -40.50 1.85 0.06 98.09 0.64 0.22 0.98 95.71 2.39 0.00 0.04 0.01 70 L H H 5.77 24.40 17.90 42.33 91.64 50.90 -63.86 -42.52 1.20 0.06 98.74 0.45 0.14 0.59 97.79 0.97 0.00 0.05 0.01 71 Q H H 73.56 10.21 23.60 33.79 91.35 51.55 -63.14 -41.66 1.36 0.11 98.53 0.39 0.14 0.79 97.88 0.69 0.00 0.10 0.01 72 L H H 51.32 6.74 23.98 31.49 91.49 50.69 -63.89 -42.39 1.51 0.16 98.34 0.37 0.17 0.94 97.55 0.81 0.00 0.15 0.01 73 A H H 6.54 18.73 17.89 37.48 91.67 50.61 -63.92 -41.97 2.12 0.16 97.72 0.58 0.23 1.25 96.72 1.07 0.01 0.13 0.01 74 I H H 28.47 18.31 17.93 35.73 92.66 48.07 -66.97 -38.76 4.30 0.11 95.59 0.67 0.41 3.12 93.96 1.73 0.02 0.07 0.03 75 R H H 142.13 4.23 20.89 25.55 92.77 50.99 -69.23 -30.88 13.80 0.08 86.12 0.80 1.02 11.92 84.89 1.25 0.05 0.03 0.04 76 N C T 84.52 6.22 17.50 24.36 101.92 32.37 -105.95 12.40 64.48 0.27 35.25 12.00 6.71 43.89 35.46 1.65 0.02 0.09 0.17 77 D H H 51.55 16.41 11.45 26.70 99.39 145.11 -69.09 -11.01 44.27 0.37 55.36 37.33 4.01 3.44 52.40 2.49 0.00 0.13 0.19 78 E H H 132.99 2.03 18.87 20.73 93.51 86.23 -65.13 -38.92 6.35 0.06 93.59 1.36 0.81 4.08 88.55 5.13 0.01 0.03 0.02 79 E H H 87.68 6.01 18.80 25.55 92.38 50.13 -65.97 -40.03 3.60 0.07 96.33 0.93 0.38 2.28 91.75 4.58 0.01 0.05 0.01 80 L H H 7.35 22.65 12.53 35.21 91.67 50.75 -64.17 -42.03 2.19 0.06 97.75 0.67 0.27 1.22 94.21 3.56 0.01 0.05 0.01 81 N H H 63.90 11.76 17.18 29.27 91.15 53.46 -63.52 -38.51 3.10 0.07 96.83 0.75 0.31 1.97 93.53 3.36 0.01 0.05 0.01 82 K H H 141.77 1.62 21.87 22.35 91.92 52.78 -66.19 -38.24 5.58 0.06 94.35 0.50 0.41 4.72 90.13 4.15 0.03 0.04 0.02 83 L H H 44.63 14.43 17.72 32.06 94.58 45.82 -72.25 -38.55 8.23 0.11 91.66 0.54 0.70 7.21 88.89 2.48 0.07 0.06 0.04 84 L H H 18.32 21.08 14.58 35.03 97.79 38.33 -91.12 -15.89 27.04 1.91 71.05 5.50 5.27 18.35 66.06 2.68 0.37 0.90 0.89 85 G C T 36.08 5.36 19.90 26.16 112.85 -146.10 71.56 -144.84 75.72 5.92 18.36 22.36 16.39 36.90 13.09 5.53 0.08 4.33 1.33 86 R C T 151.55 4.43 19.98 25.14 114.84 -12.89 -93.59 123.99 64.95 17.94 17.11 23.58 15.10 27.71 9.59 6.84 0.14 15.31 1.73 87 V C C 33.16 20.16 12.27 31.41 121.36 -168.35 -111.22 133.05 56.82 31.29 11.88 46.72 6.07 2.96 8.79 3.61 0.03 29.59 2.23 88 T E E 71.46 6.40 22.30 29.19 117.67 -159.95 -108.10 129.37 35.46 53.82 10.72 29.66 2.92 1.97 8.72 2.78 0.02 50.42 3.51 89 I E E 50.16 17.82 14.15 31.15 114.27 -158.27 -100.47 123.51 31.22 52.40 16.38 24.26 3.95 3.16 12.16 5.24 0.06 48.06 3.12 90 A C E 51.29 9.60 15.99 26.09 107.90 -138.31 -81.09 31.56 41.18 33.49 25.33 25.88 7.64 9.78 9.82 13.96 0.08 30.82 2.01 91 Q C T 128.48 3.75 17.08 21.60 104.52 2.13 -86.75 61.34 51.94 21.24 26.82 15.39 12.32 27.69 6.89 17.51 0.30 17.34 2.56 92 G C T 43.53 7.12 16.27 24.00 106.99 -18.44 85.92 1.83 72.14 6.43 21.43 15.36 16.84 41.19 4.14 16.14 0.06 4.63 1.65 93 G C C 30.67 11.41 16.45 27.83 115.06 -69.41 93.50 -122.27 77.42 15.65 6.93 28.56 26.04 24.65 1.57 4.89 0.03 11.92 2.34 94 V C C 57.38 13.50 16.64 30.18 120.48 -63.27 -105.16 135.04 61.64 34.25 4.11 37.88 18.65 5.20 2.33 2.32 0.11 20.75 12.77 95 L C C 37.31 16.06 14.19 30.53 111.52 -134.81 -92.62 122.05 78.73 17.45 3.81 62.86 12.57 2.91 2.16 1.93 0.00 14.04 3.52 96 P C T 79.30 6.81 17.32 25.03 99.65 -136.07 -64.08 -17.11 76.82 8.77 14.41 19.84 11.67 45.66 7.22 6.79 0.07 7.25 1.49 97 N C T 109.74 4.10 18.39 23.13 97.66 36.63 -82.01 16.75 74.08 8.69 17.23 18.04 11.75 44.74 8.86 7.90 0.11 7.01 1.59 98 I C C 32.75 19.95 11.25 30.00 111.84 111.26 -93.54 108.54 58.13 19.83 22.04 44.22 8.09 5.48 13.90 8.93 0.06 15.07 4.26 99 Q C C 106.92 6.47 19.59 26.75 105.87 81.07 -89.19 88.62 44.27 23.85 31.88 33.13 5.73 5.48 18.21 13.99 0.07 20.44 2.95 100 A H G 43.46 13.17 15.51 28.66 113.26 62.97 -89.73 132.73 30.22 23.96 45.82 19.15 6.50 7.24 16.71 26.52 0.09 22.18 1.60 101 V H G 62.88 12.10 16.60 28.90 112.75 -139.60 -93.96 122.86 29.40 26.64 43.96 18.20 6.22 7.64 15.69 25.65 0.09 24.85 1.65 102 L H G 72.28 11.84 16.89 28.82 105.29 -151.65 -91.90 16.39 34.33 26.73 38.94 20.13 8.30 9.29 14.65 22.49 0.28 21.87 3.00 103 L C C 57.20 14.63 12.48 27.09 118.26 99.54 -94.95 134.42 78.17 18.98 2.86 40.97 35.25 3.14 1.44 1.44 0.01 15.00 2.74 104 P C C 67.03 8.23 13.52 23.18 112.60 -107.45 -67.52 148.75 84.77 12.05 3.17 66.38 11.35 6.53 1.20 1.91 0.00 10.82 1.80 105 K C C 154.89 2.90 13.80 18.41 106.87 -111.82 -76.55 112.24 92.50 5.56 1.94 85.44 2.11 5.24 0.68 0.90 0.00 3.72 1.91 106 C C C 69.93 9.18 12.27 22.11 111.46 65.02 -96.88 111.90 99.90 0.09 0.02 99.78 0.11 0.05 0.01 0.00 0.00 0.04 0.01