# 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 143.51 3.37 16.53 21.02 111.49 -134.06 -86.92 125.79 99.77 0.11 0.12 99.57 0.17 0.10 0.08 0.01 0.00 0.05 0.03 1 A C C 56.04 11.02 10.04 21.43 113.39 -125.37 -77.14 141.15 81.26 2.28 16.46 75.66 1.53 4.91 12.87 2.72 0.00 1.21 1.10 2 K C C 125.95 5.09 13.27 19.98 113.54 -142.00 -86.66 137.96 74.74 3.52 21.74 53.71 11.51 8.99 16.98 5.33 0.01 1.88 1.58 3 S C C 57.52 7.33 13.48 22.02 116.09 -126.25 -89.21 147.32 67.41 4.27 28.31 46.90 11.29 9.00 21.12 7.53 0.01 2.36 1.78 4 R C H 117.88 9.56 14.66 24.81 97.03 -132.65 -71.44 -21.81 49.27 4.18 46.55 27.56 11.24 12.30 33.47 11.40 0.11 2.46 1.47 5 S C H 40.76 12.25 12.98 25.62 97.09 66.22 -71.85 -32.18 48.57 5.23 46.20 27.36 9.98 12.80 32.82 11.94 0.11 3.33 1.66 6 S C H 65.42 6.35 15.23 22.56 95.04 62.13 -71.09 -28.24 49.19 5.55 45.26 27.62 10.14 12.78 31.54 12.49 0.11 3.51 1.80 7 R C H 137.04 6.21 15.47 22.70 95.04 62.45 -74.54 -18.64 51.38 5.62 43.00 20.30 13.10 19.96 29.22 11.53 0.39 3.28 2.21 8 A C T 41.61 12.87 14.00 27.02 97.14 55.57 -84.39 -0.54 70.70 2.17 27.14 12.64 14.28 43.20 17.29 10.06 0.11 1.18 1.24 9 G C T 47.98 4.55 19.62 24.67 98.07 -104.50 82.82 7.09 89.40 2.16 8.44 22.21 18.09 49.77 3.32 4.53 0.01 1.32 0.76 10 L C C 31.61 19.10 11.62 30.15 116.20 129.99 -92.30 132.46 83.93 11.51 4.57 66.55 10.95 5.80 2.10 2.54 0.00 7.37 4.69 11 Q C C 116.14 5.14 21.69 27.37 111.10 -159.58 -99.53 110.42 82.40 14.50 3.11 58.51 19.64 4.06 1.91 1.43 0.01 9.46 4.98 12 F C C 36.71 19.65 14.45 33.45 120.39 147.69 -105.85 129.74 89.37 9.11 1.53 61.45 27.29 1.24 1.38 0.41 0.00 6.23 2.01 13 P C C 53.33 8.30 22.95 31.74 110.41 -113.57 -68.14 139.17 90.26 6.41 3.32 86.25 2.66 1.45 2.91 0.58 0.00 4.13 2.03 14 V H H 39.71 19.58 15.88 34.26 94.44 -123.35 -62.03 -35.92 24.42 0.52 75.06 9.93 4.38 11.15 71.71 2.28 0.05 0.24 0.26 15 G H H 31.81 6.41 21.48 28.46 92.78 56.13 -61.50 -41.83 12.74 0.22 87.03 3.70 2.02 7.41 84.73 1.90 0.04 0.11 0.10 16 R H H 99.23 7.96 22.70 30.73 92.31 50.82 -66.63 -39.62 4.18 0.14 95.68 1.83 0.71 1.95 93.79 1.59 0.01 0.09 0.03 17 V H H 4.54 24.13 17.02 41.24 91.65 51.26 -63.80 -43.52 1.81 0.08 98.11 0.77 0.27 0.87 97.25 0.76 0.01 0.06 0.01 18 H H H 55.67 14.43 20.75 34.81 91.44 51.38 -62.62 -42.01 1.37 0.06 98.57 0.49 0.18 0.72 97.95 0.60 0.01 0.04 0.01 19 R H H 120.84 2.84 24.12 26.02 91.62 50.56 -64.06 -42.14 1.66 0.07 98.27 0.44 0.21 1.01 97.64 0.62 0.01 0.04 0.01 20 L H H 24.64 12.83 18.38 32.56 91.89 49.61 -64.55 -41.97 2.19 0.10 97.72 0.59 0.30 1.36 96.83 0.82 0.02 0.06 0.02 21 L H H 16.63 20.72 14.05 34.43 92.28 50.01 -65.55 -39.76 3.89 0.12 95.99 0.87 0.44 2.66 94.39 1.52 0.03 0.07 0.03 22 R H H 144.70 4.92 17.89 24.01 91.79 52.12 -66.57 -33.06 12.10 0.14 87.76 1.06 0.99 10.18 86.12 1.45 0.07 0.07 0.06 23 K C T 138.60 2.15 17.35 19.31 94.68 48.44 -85.55 -7.94 61.19 0.21 38.60 1.70 3.83 53.92 38.47 1.81 0.04 0.08 0.16 24 G C T 39.43 8.57 14.67 24.01 100.87 -102.42 81.74 9.60 92.97 0.22 6.81 5.70 10.84 76.37 5.42 1.41 0.00 0.10 0.16 25 N C C 75.27 6.79 17.26 25.16 100.93 129.08 -89.28 51.53 80.89 0.99 18.12 48.75 17.07 15.21 12.78 5.10 0.00 0.40 0.69 26 Y H H 37.55 17.89 13.94 31.62 95.07 128.82 -72.99 -27.66 38.40 1.52 60.09 18.17 7.41 13.93 42.84 16.01 0.12 0.78 0.74 27 A H H 32.51 14.69 13.90 28.77 92.24 67.20 -63.74 -31.52 19.07 0.84 80.08 5.51 3.19 9.76 55.59 25.07 0.10 0.52 0.26 28 E H H 146.31 1.46 19.64 20.30 92.68 55.06 -70.63 -28.14 18.12 0.57 81.31 3.30 2.68 11.04 57.75 24.54 0.14 0.35 0.20 29 R H H 126.62 6.71 17.46 24.86 97.36 47.53 -83.13 -29.84 24.85 0.71 74.44 3.70 4.58 16.56 58.12 15.98 0.32 0.38 0.35 30 V H H 35.82 17.31 11.86 28.33 104.69 39.35 -102.51 -12.87 46.31 5.00 48.69 13.38 21.15 15.15 41.32 3.47 0.41 1.21 3.90 31 G C C 36.45 4.29 18.72 23.77 123.57 -129.45 82.90 -168.46 66.98 1.20 31.82 43.22 7.57 13.89 5.28 28.73 0.00 0.57 0.74 32 A C T 85.03 3.87 16.65 21.84 95.40 -36.90 -67.35 -15.16 61.42 0.33 38.24 1.79 5.80 52.90 3.61 35.41 0.01 0.17 0.30 33 G C T 31.55 9.32 18.42 28.47 94.30 53.21 -76.30 -7.85 58.48 0.18 41.34 5.08 4.59 47.70 6.54 35.83 0.01 0.09 0.16 34 A H H 11.63 19.01 16.68 36.17 92.84 100.79 -60.92 -42.12 5.10 0.01 94.89 3.16 0.96 1.18 93.91 0.79 0.00 0.00 0.01 35 P H H 31.21 18.00 20.43 37.56 91.85 52.76 -63.73 -39.84 1.14 0.00 98.86 0.28 0.10 0.61 98.50 0.50 0.00 0.00 0.00 36 V H H 68.59 7.78 25.47 33.45 91.85 50.01 -64.87 -41.68 0.25 0.00 99.75 0.05 0.02 0.13 99.52 0.28 0.00 0.00 0.00 37 Y H H 67.22 13.19 24.86 37.73 91.82 49.06 -64.80 -42.56 0.13 0.00 99.87 0.03 0.01 0.06 99.82 0.08 0.00 0.00 0.00 38 L H H 8.94 23.59 22.55 45.38 91.54 49.67 -64.33 -42.71 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.03 0.00 0.00 0.00 39 A H H 20.20 16.03 23.68 39.44 91.26 51.40 -62.81 -41.89 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 40 A H H 39.03 6.90 26.25 34.06 91.33 50.64 -63.78 -42.27 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 41 V H H 17.45 18.16 23.51 41.32 91.65 49.56 -64.53 -42.98 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 42 L H H 10.11 23.24 21.59 44.13 91.43 50.81 -63.67 -41.88 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 43 E H H 86.51 10.03 24.75 34.77 91.38 51.64 -63.11 -41.39 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 44 Y H H 93.45 8.36 25.36 33.84 91.78 49.21 -65.16 -41.63 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 45 L H H 14.39 20.36 21.78 41.68 91.42 49.19 -65.29 -42.42 0.19 0.00 99.81 0.02 0.00 0.12 99.83 0.03 0.00 0.00 0.00 46 T H H 21.11 19.12 21.61 39.87 91.71 51.06 -63.45 -41.80 0.32 0.00 99.68 0.03 0.01 0.21 99.71 0.04 0.00 0.00 0.00 47 A H H 43.62 6.45 24.39 31.35 91.47 51.70 -63.72 -41.53 0.26 0.00 99.74 0.02 0.01 0.17 99.73 0.07 0.00 0.00 0.00 48 E H H 70.77 9.20 24.59 33.97 91.66 49.54 -65.33 -41.29 0.36 0.00 99.64 0.04 0.02 0.24 99.60 0.10 0.00 0.00 0.00 49 I H H 7.61 23.22 19.87 42.91 91.33 50.05 -64.20 -43.25 0.43 0.00 99.57 0.06 0.02 0.27 99.52 0.12 0.00 0.00 0.00 50 L H H 44.68 15.59 21.84 36.79 91.55 50.64 -63.24 -41.64 0.74 0.01 99.26 0.11 0.05 0.47 99.07 0.29 0.00 0.00 0.00 51 E H H 112.70 3.21 25.93 28.90 91.63 50.23 -64.27 -41.04 2.86 0.02 97.12 0.33 0.18 2.16 96.65 0.66 0.01 0.01 0.00 52 L H H 38.97 13.08 22.00 35.34 92.08 48.67 -66.35 -40.20 7.11 0.05 92.84 0.83 0.59 5.42 92.12 0.98 0.02 0.02 0.02 53 A H H 10.37 20.25 17.88 37.86 92.47 51.30 -66.66 -36.54 17.66 0.29 82.04 3.72 2.48 11.64 79.72 2.09 0.08 0.13 0.15 54 G H H 26.96 10.50 20.85 31.43 95.93 55.34 -62.20 -40.72 33.51 0.73 65.76 8.02 4.73 21.59 59.60 5.24 0.10 0.39 0.34 55 N H H 94.40 4.05 22.88 26.64 96.05 43.41 -75.22 -28.47 37.09 1.69 61.22 11.07 7.04 20.44 51.23 8.30 0.18 1.14 0.60 56 A H H 32.17 11.19 17.10 29.20 96.58 56.38 -72.75 -27.66 37.50 5.04 57.46 15.74 7.50 16.28 46.12 9.22 0.22 3.75 1.17 57 A H H 27.70 14.13 12.93 27.45 100.90 65.58 -78.91 -8.52 44.04 9.42 46.54 24.64 7.87 13.83 37.03 7.55 0.18 6.73 2.19 58 R C H 141.13 4.69 14.69 20.59 104.00 90.77 -81.95 4.38 51.48 10.94 37.58 25.64 10.24 17.11 30.71 5.75 0.47 7.11 2.97 59 D C T 107.96 2.70 13.53 17.00 102.31 37.86 -81.17 14.85 69.50 3.99 26.51 23.73 15.54 30.58 21.05 5.27 0.10 2.40 1.33 60 N C T 98.43 5.17 11.38 17.94 103.85 51.74 -86.06 45.10 82.27 1.02 16.71 24.58 19.39 38.59 11.07 5.31 0.01 0.47 0.58 61 K C T 149.64 3.14 12.67 17.09 99.66 -141.04 -63.94 7.04 80.42 1.84 17.74 29.08 22.60 29.25 10.39 6.86 0.02 0.88 0.92 62 K C C 115.66 5.98 13.34 20.66 111.85 104.10 -92.69 126.02 73.50 6.48 20.02 39.06 18.82 16.07 11.95 7.92 0.04 3.88 2.25 63 T C C 70.62 9.82 14.27 24.74 108.71 66.26 -94.91 82.71 71.15 10.30 18.55 46.29 14.79 10.08 11.78 7.08 0.03 7.61 2.35 64 R C C 116.51 8.32 20.20 28.76 120.13 90.73 -102.90 140.52 66.75 16.73 16.53 41.64 17.45 7.76 11.18 5.88 0.05 12.59 3.43 65 I C C 22.70 21.63 13.84 35.14 112.61 -125.95 -90.04 124.71 66.69 22.21 11.10 50.29 12.04 2.97 8.73 3.11 0.02 11.77 11.06 66 I C C 57.74 8.90 22.21 31.63 120.91 -159.43 -94.62 149.45 88.34 1.83 9.83 81.35 5.27 0.85 10.69 0.42 0.00 0.94 0.47 67 P H H 54.22 13.73 16.15 30.07 92.03 -114.87 -57.38 -38.76 7.00 0.09 92.90 2.41 0.92 3.64 91.35 1.59 0.01 0.05 0.02 68 R H H 140.48 3.36 22.28 25.77 91.46 53.87 -63.85 -37.82 3.37 0.03 96.60 0.76 0.34 2.13 95.01 1.73 0.00 0.02 0.01 69 H H H 43.46 15.06 19.73 34.63 92.15 49.51 -66.31 -40.40 1.35 0.02 98.63 0.42 0.15 0.72 96.92 1.77 0.00 0.01 0.00 70 L H H 6.93 23.82 17.47 41.31 91.58 50.99 -63.82 -42.51 0.83 0.01 99.16 0.27 0.09 0.42 98.56 0.65 0.00 0.01 0.00 71 Q H H 75.84 9.75 23.44 33.18 91.43 51.70 -62.95 -41.74 0.93 0.01 99.06 0.21 0.08 0.56 98.73 0.40 0.00 0.01 0.00 72 L H H 53.89 6.28 23.87 30.86 91.48 50.65 -63.85 -42.48 1.02 0.01 98.97 0.19 0.10 0.66 98.54 0.51 0.00 0.01 0.00 73 A H H 6.99 18.12 17.85 36.90 91.72 50.59 -63.89 -42.05 1.48 0.02 98.50 0.33 0.14 0.91 97.84 0.76 0.00 0.01 0.00 74 I H H 27.63 18.24 17.59 35.43 92.63 47.87 -66.71 -39.20 3.40 0.04 96.56 0.43 0.29 2.54 95.31 1.39 0.01 0.02 0.01 75 R H H 143.08 4.19 20.67 25.35 92.68 51.00 -69.38 -30.69 12.16 0.04 87.79 0.54 0.76 10.75 86.83 1.05 0.03 0.01 0.02 76 N C T 90.10 5.48 17.54 23.58 100.75 32.64 -103.76 7.78 59.24 0.19 40.56 8.01 6.23 42.73 41.36 1.46 0.02 0.06 0.13 77 D C C 47.05 16.12 10.87 26.08 105.71 128.06 -82.73 94.12 63.31 0.37 36.32 56.70 3.60 2.61 35.32 1.44 0.00 0.11 0.22 78 E H H 134.08 2.05 18.24 20.43 93.51 57.74 -65.24 -38.15 7.13 0.06 92.82 1.51 1.00 4.55 88.96 3.91 0.02 0.02 0.02 79 E H H 91.75 5.52 18.85 25.09 92.46 50.99 -65.80 -40.23 4.05 0.06 95.89 1.00 0.43 2.61 92.12 3.77 0.01 0.04 0.01 80 L H H 7.70 22.36 12.70 35.16 91.63 50.55 -64.22 -41.97 2.05 0.05 97.89 0.63 0.25 1.14 94.72 3.20 0.00 0.04 0.01 81 N H H 61.27 11.98 16.94 29.27 91.16 53.55 -63.41 -37.84 2.25 0.04 97.70 0.59 0.24 1.36 95.08 2.69 0.00 0.03 0.01 82 K H H 141.74 1.58 21.84 22.22 92.02 52.95 -65.79 -38.54 3.95 0.04 96.01 0.40 0.30 3.28 92.40 3.57 0.02 0.03 0.01 83 L H H 45.63 14.03 17.76 31.78 94.32 46.37 -71.73 -38.37 6.16 0.07 93.77 0.39 0.50 5.47 91.46 2.08 0.05 0.04 0.02 84 L H H 18.01 21.11 14.43 34.98 97.85 38.86 -90.68 -15.02 25.13 0.83 74.04 3.97 4.36 18.12 70.25 2.29 0.21 0.35 0.46 85 G C T 37.40 5.57 19.90 26.34 109.09 -148.01 67.93 -122.17 77.18 2.25 20.56 17.65 13.17 46.24 14.33 6.32 0.04 1.37 0.87 86 R C T 150.90 4.37 20.11 25.13 116.50 -5.80 -95.46 126.43 70.86 8.37 20.77 21.47 15.63 34.94 11.78 8.17 0.13 6.29 1.57 87 V C C 33.45 19.54 12.62 31.36 117.94 125.78 -104.10 130.41 66.74 17.81 15.45 53.99 8.15 3.79 11.45 4.74 0.03 15.39 2.47 88 T C C 69.65 6.94 22.07 29.49 118.80 -162.26 -108.54 131.00 45.74 40.96 13.31 38.08 3.72 2.41 10.87 3.31 0.03 36.21 5.35 89 I E E 48.51 17.85 14.25 31.23 110.52 -163.99 -95.61 112.39 35.69 43.86 20.44 26.00 5.36 4.27 15.55 6.22 0.14 37.42 5.03 90 A C E 52.19 9.50 15.74 25.69 104.83 83.47 -81.54 -30.91 40.24 28.28 31.47 21.53 8.28 12.93 13.19 17.01 0.25 24.02 2.79 91 Q C T 132.54 3.45 17.13 20.95 101.11 18.38 -73.10 31.01 52.65 13.41 33.94 12.03 10.62 31.73 10.14 21.94 0.45 10.47 2.63 92 G C T 42.71 7.31 16.61 24.49 104.20 -34.75 86.85 2.08 70.07 3.72 26.21 11.29 13.60 45.72 5.64 19.83 0.05 2.54 1.32 93 G C T 25.44 12.36 16.76 29.10 120.15 93.88 103.28 15.06 76.61 17.20 6.20 26.01 20.22 32.06 1.66 4.09 0.03 13.65 2.30 94 V C C 51.09 14.48 17.43 31.84 123.03 -87.48 -112.00 137.14 48.59 48.05 3.36 32.78 11.44 2.95 2.26 1.54 0.09 24.75 24.19 95 L C C 33.15 17.55 14.96 32.63 111.70 -127.64 -88.36 123.68 81.87 14.90 3.23 72.24 7.23 1.88 2.18 1.19 0.00 12.38 2.89 96 P C T 72.49 7.33 18.09 26.27 107.71 -121.89 -65.18 142.10 70.43 7.12 22.45 16.48 9.99 43.83 13.80 8.76 0.12 5.54 1.47 97 N C T 99.50 5.02 19.39 25.11 94.92 13.85 57.76 30.44 72.26 3.04 24.69 18.72 8.39 45.08 16.10 8.59 0.05 2.12 0.95 98 I H H 17.14 21.80 12.06 33.33 94.78 134.35 -71.04 -32.94 31.74 3.60 64.66 18.37 4.78 9.65 42.62 20.98 0.06 2.78 0.77 99 Q H H 88.88 11.74 15.37 27.34 91.96 65.68 -62.43 -35.23 13.59 2.04 84.37 5.22 2.15 6.14 52.30 32.04 0.04 1.89 0.23 100 S H H 77.22 2.21 18.27 20.37 91.93 57.05 -69.19 -24.90 10.05 1.12 88.83 2.52 1.36 5.39 52.82 36.67 0.03 1.10 0.11 101 V H H 57.71 11.37 14.87 26.74 95.62 51.23 -80.38 -24.94 17.12 1.51 81.37 3.22 2.31 10.31 50.40 32.10 0.10 1.32 0.23 102 L H H 46.74 16.77 12.15 28.03 99.64 54.43 -88.81 -14.76 40.37 5.26 54.37 9.90 9.01 22.58 33.77 18.55 0.83 3.08 2.29 103 L C C 81.95 8.48 12.48 22.26 114.63 82.54 -92.77 127.59 97.79 1.96 0.26 79.35 17.82 0.79 0.15 0.08 0.00 0.96 0.85 104 P C C 94.47 4.14 15.20 20.78 110.16 -104.42 -66.97 140.80 99.94 0.05 0.01 99.81 0.11 0.04 0.01 0.00 0.00 0.02 0.01