# 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 112.99 4.98 11.67 18.03 110.46 -151.63 -87.06 116.33 99.66 0.16 0.19 99.44 0.17 0.14 0.12 0.02 0.00 0.07 0.04 1 A C C 77.49 2.98 10.39 14.70 100.62 106.88 -73.94 -23.06 65.81 1.55 32.64 56.08 1.43 8.18 29.80 3.01 0.00 0.84 0.65 2 G C H 48.83 2.40 10.52 13.98 101.55 50.63 -65.84 -36.13 56.66 2.07 41.28 37.06 7.39 12.11 37.21 4.30 0.02 1.14 0.76 3 M H H 115.30 2.92 10.05 14.27 97.00 51.91 -71.99 -31.34 41.97 2.03 56.00 28.29 6.54 8.60 49.33 5.40 0.02 1.17 0.65 4 S H H 61.34 3.32 11.19 15.86 95.20 60.20 -68.15 -38.53 33.78 1.99 64.23 24.09 5.05 6.65 57.20 5.18 0.02 1.21 0.60 5 A H H 63.49 2.74 12.13 15.91 93.62 53.79 -65.74 -38.95 20.15 1.45 78.39 12.85 3.80 5.75 70.32 5.86 0.03 1.02 0.37 6 L H H 101.44 2.73 12.66 16.35 92.79 52.18 -66.94 -38.30 12.48 1.06 86.47 6.11 2.27 5.06 76.93 8.50 0.04 0.87 0.21 7 K H H 122.78 3.17 13.51 17.77 92.83 51.76 -67.49 -37.09 13.87 1.00 85.14 4.87 2.20 7.20 74.71 9.87 0.08 0.84 0.22 8 R H H 143.54 2.67 14.13 17.49 93.11 51.12 -68.65 -35.58 21.53 0.83 77.64 4.61 2.77 14.24 68.15 9.23 0.13 0.63 0.26 9 L H H 93.32 3.20 14.80 18.68 93.58 50.20 -69.56 -36.49 19.27 0.67 80.05 5.29 3.49 11.49 73.95 4.97 0.12 0.43 0.25 10 A H H 51.43 4.88 14.08 20.45 92.35 56.99 -63.40 -41.82 12.90 0.66 86.44 6.27 2.18 5.20 75.83 9.81 0.03 0.55 0.13 11 P H H 68.61 4.68 15.04 20.97 92.18 50.83 -65.16 -39.07 11.43 1.11 87.47 5.12 1.60 5.12 76.12 10.77 0.03 1.07 0.16 12 F H H 123.94 3.20 16.22 19.94 92.58 50.39 -66.29 -39.96 8.51 1.79 89.70 4.12 1.47 3.63 78.55 10.23 0.04 1.77 0.20 13 A H H 61.98 4.12 15.72 20.74 92.71 51.52 -66.54 -38.92 12.22 2.98 84.80 6.94 2.25 4.50 77.68 5.47 0.06 2.70 0.41 14 H H H 110.12 4.80 15.99 21.77 93.71 50.13 -70.09 -35.76 20.02 4.24 75.73 11.20 3.37 7.33 69.39 4.34 0.09 3.62 0.68 15 V H H 80.42 4.79 15.80 21.43 93.71 52.76 -67.83 -39.14 20.38 3.19 76.43 10.68 3.73 7.94 70.52 3.87 0.10 2.51 0.65 16 G H H 37.95 4.73 16.49 22.11 93.72 50.94 -63.95 -40.31 22.85 1.88 75.26 10.43 4.04 10.09 69.00 4.46 0.09 1.43 0.46 17 G H H 33.01 6.70 14.88 22.99 93.15 51.97 -64.94 -39.27 22.98 1.88 75.14 10.73 4.25 9.88 67.06 6.06 0.09 1.46 0.46 18 H H H 109.41 4.79 15.88 21.73 93.00 52.79 -66.16 -39.67 19.45 3.35 77.21 10.29 3.69 7.48 67.93 7.01 0.11 2.87 0.62 19 L H H 92.58 4.51 15.71 21.14 92.74 51.73 -66.54 -39.95 18.14 4.58 77.28 10.03 3.41 6.70 68.66 6.33 0.12 4.04 0.73 20 F H H 111.84 5.18 15.22 21.51 93.27 49.39 -68.44 -36.72 21.18 3.81 75.01 11.76 3.93 7.75 67.36 5.27 0.11 3.06 0.76 21 R H H 133.96 4.54 15.30 21.02 94.04 52.09 -69.82 -34.64 25.84 1.58 72.58 11.68 4.79 11.20 66.73 3.97 0.10 1.05 0.48 22 G H H 35.75 5.38 15.18 21.73 95.02 50.62 -64.45 -40.50 28.48 0.85 70.67 12.57 5.27 12.27 65.59 3.46 0.05 0.46 0.32 23 R H H 135.71 3.54 15.77 20.09 93.79 49.20 -68.27 -38.89 18.36 0.69 80.94 9.02 3.83 7.44 74.69 4.33 0.05 0.40 0.24 24 C H H 65.63 5.08 14.15 20.56 93.82 52.04 -67.29 -39.39 15.92 0.83 83.25 8.41 2.94 6.35 76.44 5.03 0.05 0.56 0.23 25 A H H 59.67 4.25 13.98 19.55 93.52 51.78 -66.98 -37.72 15.07 0.94 83.99 7.95 2.74 6.03 76.71 5.61 0.05 0.67 0.25 26 R H H 150.96 2.57 14.21 17.65 94.22 51.83 -70.05 -34.41 16.93 1.16 81.91 8.12 3.28 7.39 74.71 5.31 0.08 0.77 0.34 27 A H H 65.21 4.43 12.58 18.30 96.35 52.75 -73.44 -28.45 24.09 1.17 74.74 11.08 4.56 10.50 68.07 4.61 0.08 0.68 0.43 28 A H H 75.23 3.81 11.68 16.98 101.03 64.36 -75.01 -8.00 40.23 1.16 58.61 13.13 6.99 21.83 52.07 4.74 0.11 0.59 0.54 29 G C T 57.07 2.29 13.15 16.18 100.92 23.58 45.88 -0.67 62.34 1.27 36.38 21.06 10.50 31.62 30.38 5.16 0.05 0.59 0.64 30 A C C 71.66 4.64 9.84 16.29 109.90 105.45 -84.20 125.51 72.50 2.73 24.77 35.52 16.03 21.49 17.88 6.45 0.03 1.38 1.21 31 R C C 176.99 1.82 11.76 14.77 110.08 -146.58 -93.43 119.37 77.87 6.39 15.74 41.98 17.49 18.82 9.81 5.77 0.03 4.23 1.87 32 G C C 46.10 4.52 10.93 17.22 122.39 -150.25 -116.21 169.08 78.45 14.17 7.38 49.99 17.31 11.17 3.69 3.75 0.01 11.60 2.47 33 V C C 103.83 4.42 10.38 16.67 117.59 -101.84 -100.39 133.49 64.05 32.10 3.85 50.88 8.81 2.62 2.69 1.67 0.01 26.30 7.02 34 R C C 147.34 4.23 10.44 16.74 116.50 -151.37 -98.41 133.40 59.61 36.76 3.63 49.03 6.26 2.37 2.48 1.60 0.01 30.91 7.34 35 R C C 163.65 3.29 10.24 15.47 112.10 -135.79 -87.17 126.39 65.75 28.33 5.92 50.08 8.59 5.91 2.84 3.35 0.02 23.55 5.67 36 A C C 82.69 3.32 8.93 13.88 109.13 -146.52 -89.47 108.69 80.80 9.73 9.47 35.89 17.13 29.00 2.17 6.92 0.02 6.41 2.46 37 G C T 57.99 1.95 10.09 13.33 109.24 22.54 69.62 34.10 85.75 4.57 9.68 24.85 23.83 37.67 1.45 7.99 0.01 2.56 1.64 38 G C S 56.40 2.28 9.76 13.53 112.26 7.12 91.45 50.76 88.19 3.92 7.88 31.88 31.96 24.42 1.10 6.96 0.00 1.99 1.69 39 G C C 50.08 2.85 9.83 14.30 118.92 -96.94 92.08 176.05 87.23 5.60 7.18 38.83 29.48 19.16 1.24 6.15 0.01 2.98 2.16 40 A C C 86.40 2.40 9.36 13.22 107.66 -80.98 -85.98 86.96 82.38 8.68 8.94 40.36 22.95 19.79 1.66 7.34 0.01 4.93 2.95 41 H C C 143.64 2.47 8.96 12.92 107.95 83.47 -88.58 89.89 82.07 10.40 7.54 44.08 22.20 16.37 1.64 6.04 0.01 6.09 3.57 42 I C C 114.37 3.60 8.82 14.15 114.07 67.64 -97.11 123.87 85.82 9.95 4.23 51.85 26.53 7.57 1.17 3.14 0.00 5.86 3.88 43 E C C 137.73 2.15 11.13 14.64 115.71 -136.93 -95.08 131.63 92.27 7.00 0.73 64.12 26.96 1.64 0.24 0.49 0.00 4.55 2.00 44 P C C 87.37 5.33 8.93 16.11 114.04 -109.70 -69.90 142.80 90.38 6.84 2.77 70.66 12.65 6.80 0.72 2.19 0.00 4.84 2.14 45 R C C 143.32 3.89 9.86 15.67 117.88 -166.00 -110.73 136.58 77.55 18.75 3.70 62.65 8.24 5.01 1.44 2.35 0.00 9.51 10.79 46 Y C C 155.17 4.18 8.83 14.69 106.22 -144.43 -84.16 68.64 77.94 12.39 9.67 32.80 20.37 26.21 2.01 7.25 0.06 6.66 4.63 47 R C S 163.71 2.89 9.78 13.98 107.75 29.04 -94.70 50.00 87.82 4.72 7.45 24.10 34.18 30.10 1.17 6.06 0.01 2.56 1.83 48 Q C C 136.25 1.64 11.45 13.95 115.66 62.43 -102.36 130.87 90.01 4.50 5.49 44.27 35.70 9.85 1.10 4.43 0.00 1.95 2.70 49 F C C 131.09 5.70 8.18 15.73 115.83 -119.35 -82.92 137.04 97.03 2.04 0.93 76.26 19.46 1.34 0.35 0.52 0.00 0.89 1.19 50 P C C 79.46 4.90 9.93 16.75 114.96 -108.95 -69.21 150.22 97.97 0.93 1.10 90.85 5.49 1.74 0.33 0.67 0.00 0.47 0.45 51 Q C C 148.84 1.24 12.92 14.73 112.89 -110.43 -79.17 133.31 97.27 1.73 0.99 92.23 3.82 1.16 0.43 0.46 0.00 0.58 1.32 52 L C C 70.55 12.22 6.67 18.61 115.96 -124.75 -83.57 138.71 98.75 0.97 0.28 96.00 2.61 0.17 0.18 0.06 0.00 0.30 0.67 53 T C C 77.90 1.96 14.21 16.13 119.91 -119.98 -78.00 161.37 98.72 0.90 0.38 97.94 0.81 0.15 0.23 0.05 0.00 0.22 0.59 54 R H H 173.17 2.03 11.10 14.69 91.76 -108.16 -58.56 -37.56 2.31 0.01 97.69 0.50 0.40 1.23 97.43 0.44 0.00 0.00 0.00 55 S H H 76.31 1.36 13.75 14.63 92.26 53.84 -65.11 -39.25 1.14 0.00 98.86 0.16 0.10 0.74 98.47 0.52 0.00 0.00 0.00 56 Q H H 70.70 6.71 13.36 21.73 92.15 49.47 -66.35 -39.95 0.29 0.00 99.71 0.05 0.03 0.17 99.40 0.35 0.00 0.00 0.00 57 V H H 49.71 10.11 13.32 24.65 91.66 51.45 -63.66 -42.73 0.10 0.00 99.90 0.02 0.01 0.05 99.87 0.06 0.00 0.00 0.00 58 I H H 91.85 2.65 18.03 20.48 91.68 49.46 -64.10 -42.33 0.12 0.00 99.88 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 59 Q H H 93.98 2.66 18.92 21.21 91.76 49.59 -64.50 -41.62 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 60 A H H 26.40 9.81 15.06 26.65 91.78 50.79 -63.97 -41.93 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 61 E H H 85.11 7.25 17.75 25.89 91.82 50.52 -64.48 -41.32 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 62 F H H 118.17 2.28 19.61 20.99 91.94 49.60 -64.43 -42.45 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 63 F H H 103.96 3.80 19.16 23.11 91.96 48.90 -64.76 -41.89 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 64 S H H 35.09 9.09 16.06 26.51 91.86 50.59 -64.56 -41.44 0.17 0.00 99.83 0.01 0.01 0.12 99.84 0.02 0.00 0.00 0.00 65 A H H 51.05 4.01 17.81 22.50 91.73 50.91 -64.09 -41.44 0.14 0.00 99.86 0.01 0.01 0.10 99.87 0.01 0.00 0.00 0.00 66 T H H 73.46 2.43 18.93 20.69 91.88 49.96 -64.58 -41.77 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 67 M H H 77.27 5.79 16.81 23.76 91.95 50.20 -64.65 -41.40 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 68 W H H 114.97 6.37 16.70 24.12 91.83 50.17 -64.45 -41.52 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 69 F H H 111.32 2.65 18.13 20.51 91.75 50.43 -64.50 -41.83 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 70 W H H 122.54 3.84 17.80 22.15 91.91 49.95 -64.38 -42.13 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 71 I H H 57.96 8.68 15.70 25.72 91.85 49.99 -64.10 -42.42 0.06 0.00 99.94 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 72 L H H 77.31 4.75 17.20 22.91 91.64 50.16 -63.88 -41.61 0.17 0.00 99.83 0.00 0.00 0.15 99.80 0.04 0.00 0.00 0.00 73 W H H 130.67 2.57 17.99 20.28 91.60 49.95 -64.53 -41.43 0.29 0.00 99.71 0.01 0.01 0.26 99.62 0.10 0.00 0.00 0.00 74 R H H 80.49 7.31 15.16 24.00 92.21 50.56 -65.41 -39.77 0.40 0.00 99.60 0.02 0.02 0.36 99.29 0.32 0.00 0.00 0.00 75 F H H 78.03 9.26 13.15 23.70 92.01 51.42 -66.17 -38.20 0.67 0.00 99.33 0.02 0.02 0.61 98.71 0.63 0.00 0.00 0.00 76 W H H 161.58 2.79 15.71 18.81 94.29 46.30 -74.10 -35.73 2.68 0.00 97.31 0.06 0.10 2.57 96.73 0.54 0.00 0.00 0.00 77 H H H 127.40 2.37 15.01 17.44 98.79 36.36 -91.48 -28.76 11.70 0.03 88.26 0.34 1.02 10.42 87.66 0.50 0.03 0.01 0.02 78 D C C 59.70 7.62 11.81 21.01 110.94 25.42 -131.11 74.55 92.02 0.53 7.45 67.00 14.84 8.83 7.92 0.76 0.00 0.17 0.48 79 S H H 56.48 6.97 11.99 20.85 93.19 165.88 -62.66 -34.26 16.71 0.17 83.12 2.48 1.81 11.85 69.39 14.21 0.09 0.09 0.10 80 D H H 85.89 4.55 15.16 20.89 91.84 59.01 -66.60 -31.62 9.59 0.05 90.36 0.62 0.69 7.71 77.67 13.23 0.04 0.02 0.02 81 A H H 43.53 8.55 12.98 22.95 92.95 54.87 -67.71 -35.40 5.44 0.05 94.51 0.49 0.46 4.16 81.59 13.23 0.02 0.03 0.02 82 V H H 73.56 8.00 13.88 22.82 94.95 47.79 -73.16 -36.91 10.27 0.13 89.60 0.77 1.13 8.43 81.55 7.88 0.12 0.07 0.06 83 L H H 96.51 4.51 14.95 20.17 98.60 40.56 -97.32 -10.10 37.81 0.86 61.34 3.22 7.01 28.64 55.71 4.05 0.43 0.32 0.59 84 G C T 37.13 5.62 13.82 21.07 110.87 -119.59 81.71 20.05 97.86 0.85 1.29 28.44 22.56 47.11 0.44 0.67 0.00 0.45 0.33 85 H C C 118.74 5.29 13.41 20.08 111.13 35.11 -93.03 115.92 95.77 3.40 0.83 66.96 24.06 4.65 0.22 0.64 0.00 1.46 2.01 86 F C C 88.32 9.87 10.24 21.21 115.61 -165.00 -106.25 119.91 96.97 2.78 0.24 84.43 11.55 0.84 0.08 0.17 0.00 1.19 1.75 87 P C S 91.84 3.94 15.19 20.15 104.91 -131.50 -71.31 131.65 99.14 0.71 0.14 32.79 63.84 2.62 0.03 0.11 0.00 0.33 0.27 88 Y C S 135.10 6.89 13.00 21.20 115.61 -11.52 -107.12 125.61 99.07 0.85 0.08 24.19 73.34 1.65 0.01 0.06 0.00 0.36 0.38 89 P C C 49.75 12.60 10.41 23.60 116.12 -123.64 -69.93 150.45 99.13 0.80 0.07 92.24 6.57 0.28 0.02 0.04 0.00 0.29 0.56 90 D C C 82.75 3.44 17.63 21.52 108.00 -120.04 -86.43 114.08 99.47 0.48 0.05 98.38 1.05 0.06 0.01 0.01 0.00 0.13 0.35 91 P H G 53.55 14.88 9.74 24.84 92.24 -159.54 -63.07 -23.51 11.02 0.08 88.90 1.01 0.90 7.43 0.97 89.61 0.00 0.06 0.01 92 S H G 82.27 2.91 14.62 18.78 90.73 65.98 -72.11 -15.62 10.12 0.05 89.84 0.37 0.60 8.10 0.98 89.92 0.00 0.03 0.00 93 Q H G 127.97 1.96 16.02 17.89 95.74 53.59 -93.04 -9.14 9.80 0.11 90.09 1.02 1.21 6.32 1.34 90.03 0.00 0.07 0.01 94 W C C 65.45 13.47 8.88 22.88 119.72 86.43 -98.11 140.70 92.47 2.01 5.51 66.98 22.89 2.39 2.42 2.67 0.00 0.61 2.03 95 T C C 54.19 4.85 17.76 23.54 126.32 -152.40 -102.93 166.68 85.64 9.67 4.68 67.52 13.22 1.99 3.65 1.06 0.00 1.96 10.59 96 D H H 60.25 12.42 11.48 24.48 92.13 -105.47 -60.85 -36.20 43.79 6.45 49.76 8.89 17.15 19.69 33.81 10.15 2.23 1.54 6.54 97 E H T 138.53 1.65 15.71 17.45 92.23 54.05 -65.15 -39.06 40.79 0.27 58.94 1.28 3.44 35.33 33.84 25.51 0.26 0.13 0.22 98 E H T 107.80 5.15 14.53 20.87 93.17 49.26 -69.28 -34.34 39.19 0.41 60.41 1.30 3.09 33.80 33.07 27.87 0.30 0.21 0.37 99 L H T 58.56 11.63 12.15 24.61 95.53 38.52 -95.02 -5.23 43.66 0.58 55.76 2.05 4.71 36.25 29.60 26.19 0.29 0.28 0.62 100 G C T 51.32 2.47 18.06 20.46 95.35 -113.83 79.10 14.29 99.25 0.20 0.55 18.85 8.05 72.45 0.14 0.31 0.00 0.11 0.10 101 I C C 45.61 12.45 9.65 23.30 117.76 131.54 -101.27 132.09 96.01 3.85 0.14 71.54 23.81 0.40 0.05 0.07 0.00 1.04 3.08 102 P C C 64.58 4.65 15.46 21.55 114.42 -109.82 -66.61 150.07 99.26 0.60 0.14 95.91 3.00 0.40 0.03 0.08 0.00 0.25 0.32 103 P C C 78.56 7.82 11.64 20.77 99.95 -105.73 -63.93 -15.10 78.84 1.33 19.82 45.29 10.68 20.72 2.08 19.85 0.00 0.66 0.73 104 D C T 104.25 3.34 11.48 16.18 99.85 63.84 -81.41 -5.45 75.72 1.51 22.76 24.51 17.25 33.26 1.97 21.52 0.00 0.75 0.74 105 D C C 98.40 4.11 9.34 15.06 101.17 76.34 -86.45 11.27 72.24 2.02 25.74 38.26 12.57 20.16 2.58 24.51 0.00 1.05 0.87 106 E C C 123.84 4.22 8.15 14.16 108.04 103.07 -86.73 92.37 88.60 1.33 10.07 76.58 3.36 9.57 2.71 6.35 0.00 0.71 0.72 107 D C C 114.86 2.10 11.32 14.76 108.51 -141.50 -83.79 104.72 99.83 0.07 0.09 99.41 0.23 0.25 0.04 0.01 0.00 0.04 0.01