# 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 34.58 8.10 16.81 25.57 118.66 -118.39 81.21 -174.15 99.85 0.05 0.10 99.52 0.23 0.14 0.06 0.01 0.00 0.02 0.01 1 D C C 82.00 6.73 16.93 24.25 102.60 -32.99 -85.45 25.50 55.49 0.62 43.89 50.52 1.20 3.61 43.23 0.94 0.00 0.21 0.28 2 V H H 46.84 15.91 12.64 27.92 94.26 97.98 -64.76 -36.85 19.17 0.27 80.56 9.95 2.82 6.87 78.26 1.87 0.01 0.12 0.11 3 E H H 114.93 3.52 19.42 23.38 92.74 54.32 -64.99 -39.97 10.51 0.19 89.31 5.47 1.44 3.97 87.07 1.89 0.01 0.10 0.06 4 K H H 99.75 4.64 21.03 25.87 92.05 50.30 -65.38 -39.92 5.38 0.09 94.54 2.09 0.81 2.63 92.87 1.52 0.01 0.04 0.02 5 G H H 4.57 20.45 15.49 36.17 91.72 51.84 -63.27 -42.18 4.80 0.06 95.14 1.63 0.59 2.54 94.35 0.84 0.01 0.03 0.01 6 K H H 70.19 14.80 20.27 34.25 91.50 52.24 -63.03 -41.93 2.12 0.06 97.82 0.88 0.28 0.93 97.51 0.34 0.00 0.04 0.01 7 K H H 110.24 3.38 24.50 27.47 91.60 50.44 -64.26 -41.77 1.55 0.09 98.35 0.61 0.24 0.72 98.12 0.24 0.01 0.05 0.02 8 I H H 29.72 12.35 21.02 34.38 91.50 49.07 -63.90 -43.87 1.42 0.12 98.47 0.51 0.22 0.71 98.24 0.22 0.01 0.07 0.02 9 F H H 8.59 24.05 17.92 41.73 91.84 47.13 -64.60 -43.41 1.69 0.13 98.18 0.54 0.26 0.94 97.87 0.28 0.01 0.07 0.02 10 V H H 50.32 14.00 19.65 33.19 94.54 43.69 -70.23 -40.90 2.43 0.08 97.49 0.38 0.29 1.81 97.09 0.35 0.02 0.04 0.02 11 Q H H 112.94 2.77 22.39 24.76 98.38 37.55 -83.44 -39.02 6.65 0.06 93.28 0.32 0.46 6.27 92.19 0.65 0.06 0.02 0.03 12 K H H 83.44 9.81 20.76 30.74 103.98 26.61 -101.00 -35.49 32.27 0.15 67.59 0.63 1.82 31.06 64.51 1.68 0.14 0.05 0.11 13 C C T 5.08 23.48 15.66 39.40 99.31 33.90 -93.15 -28.65 55.45 0.31 44.24 2.46 3.18 49.32 36.36 8.20 0.11 0.14 0.23 14 A H G 29.65 16.51 17.26 33.66 91.45 72.58 -61.96 -31.39 33.62 0.27 66.11 2.74 2.25 27.68 22.13 44.84 0.06 0.15 0.15 15 Q H G 117.10 3.62 24.26 28.42 91.36 59.63 -69.69 -25.18 40.40 0.23 59.37 1.31 2.25 36.46 18.94 40.67 0.08 0.12 0.17 16 C C T 33.37 15.26 20.60 35.81 101.32 33.79 -103.14 -13.78 49.88 0.51 49.61 2.17 5.27 41.86 18.39 31.50 0.13 0.27 0.41 17 H C S 18.05 21.36 17.46 38.49 121.87 50.79 -122.71 128.56 66.35 23.68 9.98 26.01 34.74 4.90 5.67 3.38 0.48 6.15 18.67 18 T C C 26.70 11.10 22.13 34.42 119.76 -160.04 -107.46 137.23 55.10 43.47 1.44 47.10 3.74 0.63 1.05 0.33 0.00 10.28 36.86 19 V H G 44.69 17.06 15.65 32.57 93.87 -142.76 -69.15 -28.28 42.20 4.06 53.73 11.04 9.94 22.88 5.63 46.50 0.08 2.23 1.70 20 E H G 131.88 3.20 19.57 23.45 93.87 57.65 -70.91 -29.37 39.01 2.05 58.94 4.12 7.18 27.62 4.31 54.66 0.06 1.32 0.72 21 K H G 117.34 5.22 16.74 22.80 98.55 35.41 -99.29 6.34 39.13 0.81 60.06 3.27 6.09 28.94 3.05 57.84 0.01 0.45 0.35 22 G C T 34.23 8.32 16.33 25.57 105.98 -103.56 85.30 14.00 85.10 1.02 13.88 16.15 11.72 56.64 1.66 12.69 0.00 0.48 0.66 23 G C C 21.69 14.69 13.25 27.66 122.53 90.99 74.44 164.74 91.57 5.41 3.03 60.87 20.50 9.55 0.64 2.63 0.00 2.15 3.65 24 K C C 133.25 4.44 19.95 25.21 112.72 -116.44 -101.86 117.12 89.63 8.44 1.93 52.30 30.85 6.32 0.42 1.64 0.00 3.57 4.90 25 H C C 72.63 13.95 11.36 25.08 114.19 -134.70 -90.19 126.69 86.59 11.80 1.61 56.52 23.62 5.90 0.39 1.34 0.00 4.16 8.06 26 K C S 148.77 3.46 16.49 21.26 95.92 -141.75 -73.32 -23.19 96.50 2.50 1.00 13.48 50.86 32.30 0.11 0.94 0.00 1.44 0.86 27 T C S 85.40 5.29 17.29 23.27 102.71 37.63 -101.60 -14.93 96.19 2.89 0.92 6.17 58.76 31.65 0.08 0.73 0.00 1.80 0.80 28 G C S 17.42 12.13 17.80 30.51 139.65 4.17 -140.59 168.18 92.04 7.67 0.29 16.86 74.91 1.32 0.06 0.17 0.00 3.77 2.91 29 P C C 45.25 12.05 20.93 33.48 115.11 -63.08 -66.95 149.80 91.92 7.79 0.28 83.47 7.57 0.82 0.10 0.19 0.00 3.98 3.88 30 N C C 28.22 17.95 21.54 39.02 112.56 -118.60 -84.52 128.64 79.25 20.03 0.72 71.24 4.34 0.47 0.48 0.19 0.00 4.25 19.03 31 L H H 11.58 23.29 21.91 45.17 93.80 -151.16 -69.25 -27.02 30.81 2.39 66.80 10.93 8.10 14.73 50.71 12.46 0.51 1.02 1.54 32 H H H 48.10 16.60 23.12 38.85 92.11 65.91 -65.19 -36.02 20.25 0.53 79.22 2.70 2.71 13.59 58.76 21.35 0.33 0.28 0.29 33 G H H 18.33 13.05 22.58 35.70 92.45 54.33 -65.24 -35.58 14.28 0.26 85.46 1.87 1.70 9.38 62.47 24.19 0.14 0.15 0.11 34 L H H 33.23 18.82 20.60 38.26 93.45 54.40 -71.53 -33.28 18.65 0.40 80.95 2.14 2.50 12.60 60.73 21.27 0.32 0.22 0.21 35 F H H 48.71 17.28 19.53 36.27 97.91 42.55 -93.24 0.03 47.38 0.98 51.65 3.24 6.67 36.11 39.73 12.37 0.50 0.45 0.92 36 G C T 39.37 8.17 21.37 29.65 98.34 -107.96 82.15 11.16 96.93 0.68 2.39 20.92 11.02 65.35 1.08 0.98 0.00 0.35 0.29 37 R C C 90.14 12.48 16.21 28.86 123.10 125.00 -96.37 148.60 92.71 5.64 1.65 73.31 15.24 3.35 0.60 1.05 0.00 2.39 4.07 38 K C C 115.91 6.46 21.19 28.07 116.23 -109.52 -83.21 141.98 89.04 9.36 1.60 74.94 9.83 2.76 0.57 1.05 0.00 3.27 7.59 39 T C T 49.76 16.96 15.01 30.97 110.81 -101.19 -68.69 135.90 90.18 3.88 5.95 17.54 15.81 56.29 0.86 5.26 0.00 2.01 2.22 40 G C T 36.89 10.19 18.82 29.14 96.19 18.36 84.58 -2.39 94.00 1.39 4.62 13.34 17.76 62.24 0.48 4.68 0.00 0.79 0.71 41 Q C C 93.02 8.19 19.05 27.84 106.28 103.45 -92.94 19.90 92.43 3.75 3.81 52.93 30.76 7.70 0.55 3.68 0.00 1.28 3.10 42 A C C 26.51 15.38 12.25 27.71 120.95 99.05 -94.68 144.08 93.72 5.43 0.85 56.10 34.66 2.04 0.28 0.53 0.00 1.40 4.98 43 P C T 102.70 3.19 17.77 21.98 110.17 -92.56 -61.47 138.01 96.88 1.13 1.99 5.07 8.83 82.59 0.26 1.90 0.00 0.62 0.73 44 G C T 51.94 3.76 18.07 22.52 97.46 19.06 85.46 -3.73 97.90 0.71 1.39 6.41 8.23 83.07 0.16 1.41 0.00 0.48 0.24 45 F C C 38.68 20.07 11.42 30.55 120.17 112.06 -100.86 134.86 89.53 8.93 1.54 73.46 12.01 2.88 0.44 1.26 0.00 3.62 6.34 46 S C C 57.99 6.18 23.17 29.75 125.92 -171.85 -120.04 147.44 88.44 10.45 1.10 76.14 8.67 2.69 0.38 0.75 0.00 4.63 6.74 47 Y C C 63.50 19.69 14.62 33.06 116.13 -131.71 -93.51 133.12 88.63 9.63 1.74 68.98 15.54 3.09 0.75 1.03 0.00 4.34 6.27 48 T C C 43.60 9.28 17.31 27.74 126.10 -161.77 -105.49 163.18 92.86 4.29 2.85 71.43 18.41 2.33 1.91 0.96 0.00 1.49 3.46 49 D H H 104.80 3.56 16.88 21.63 92.34 -103.68 -61.60 -33.02 34.96 0.78 64.26 6.41 7.57 19.70 40.28 25.02 0.17 0.38 0.47 50 A H H 54.20 6.56 16.28 24.13 91.79 60.31 -67.05 -27.73 33.40 0.53 66.06 4.09 4.61 22.06 40.83 27.66 0.16 0.28 0.32 51 N H H 24.87 17.80 11.24 28.76 97.86 48.73 -94.91 -3.02 29.85 1.45 68.70 8.20 5.54 15.07 40.16 29.42 0.17 0.75 0.70 52 K H H 105.38 10.36 14.24 25.15 95.05 96.55 -66.19 -30.47 38.40 1.54 60.06 7.31 6.16 23.20 41.05 20.11 0.47 0.82 0.87 53 N C T 127.69 1.69 17.61 19.15 96.09 38.53 -76.11 -2.17 50.68 1.23 48.09 6.82 7.73 33.98 32.55 17.13 0.30 0.67 0.81 54 K C T 110.59 7.07 17.05 24.85 99.14 76.50 -95.92 -0.40 60.70 2.13 37.17 12.99 16.46 31.96 23.19 12.70 0.25 0.98 1.47 55 G C C 25.63 10.56 18.52 29.79 112.60 -115.67 85.61 20.62 91.53 5.90 2.57 42.36 22.36 27.69 0.73 1.64 0.00 3.68 1.55 56 I C C 18.89 22.21 15.65 37.51 116.14 -54.56 -97.96 126.84 77.97 20.82 1.20 65.40 9.48 2.03 0.55 0.76 0.00 15.81 5.97 57 T C C 54.38 10.65 25.14 35.82 119.63 -167.89 -113.48 126.73 70.83 28.35 0.82 61.22 6.79 1.43 0.42 0.51 0.00 21.36 8.27 58 W C C 31.23 22.34 16.95 38.61 117.20 -153.31 -105.67 125.17 74.66 24.72 0.62 65.32 8.10 1.01 0.38 0.33 0.00 15.44 9.41 59 G C C 19.31 9.04 24.45 33.82 135.00 165.97 -123.04 175.61 96.25 2.77 0.97 81.37 14.21 0.73 0.93 0.18 0.00 1.46 1.11 60 E H H 73.97 15.76 17.16 32.31 92.14 -83.25 -60.74 -37.75 3.88 0.03 96.09 0.76 0.99 2.01 95.87 0.34 0.00 0.01 0.01 61 E H H 118.71 3.53 23.59 27.31 91.77 52.56 -64.23 -40.23 2.29 0.02 97.69 0.43 0.27 1.47 97.41 0.40 0.01 0.01 0.01 62 T H H 18.52 15.87 19.68 35.84 92.01 49.78 -65.57 -41.89 1.11 0.02 98.87 0.31 0.13 0.61 98.50 0.43 0.00 0.01 0.00 63 L H H 3.79 25.14 18.71 43.92 91.43 50.63 -63.28 -43.05 0.64 0.02 99.35 0.19 0.07 0.32 99.23 0.17 0.00 0.01 0.00 64 M H H 39.04 13.52 22.28 36.08 91.60 50.58 -63.37 -41.80 0.32 0.00 99.68 0.07 0.03 0.17 99.66 0.08 0.00 0.00 0.00 65 E H H 69.54 6.29 24.34 31.18 91.38 51.10 -63.77 -42.00 0.23 0.00 99.77 0.03 0.01 0.14 99.69 0.12 0.00 0.00 0.00 66 Y H H 17.53 19.59 18.78 38.35 92.01 49.87 -64.70 -41.78 0.47 0.00 99.53 0.04 0.02 0.36 99.37 0.22 0.00 0.00 0.00 67 L H H 20.37 20.97 18.39 38.63 92.48 48.79 -68.02 -35.92 2.13 0.00 97.87 0.06 0.07 1.95 97.70 0.21 0.00 0.00 0.00 68 E H H 102.37 6.37 21.07 27.71 94.91 45.14 -78.51 -31.10 7.32 0.02 92.67 0.16 0.56 6.59 92.47 0.18 0.02 0.00 0.01 69 N C C 70.33 5.60 18.94 25.70 112.61 19.18 -134.71 78.12 99.69 0.12 0.19 85.33 14.04 0.28 0.15 0.04 0.00 0.03 0.13 70 P H G 27.59 20.69 10.68 30.86 92.99 169.02 -63.53 -25.03 18.46 0.11 81.44 2.34 1.34 13.22 8.41 74.59 0.00 0.07 0.02 71 K H G 126.66 6.10 18.17 25.56 91.79 66.50 -70.81 -18.97 16.96 0.15 82.89 1.31 1.36 13.45 9.25 74.50 0.00 0.10 0.04 72 K H G 119.68 4.86 19.28 24.65 95.37 60.57 -80.91 -15.90 16.67 0.41 82.92 3.78 2.62 9.75 8.92 74.57 0.00 0.28 0.08 73 Y C C 65.83 15.98 14.94 30.21 102.66 46.82 -96.05 -9.34 56.56 5.71 37.72 25.09 17.87 15.36 11.14 24.50 0.09 2.81 3.13 74 I C C 37.34 16.30 13.90 30.14 112.97 45.51 -115.10 105.92 90.76 6.90 2.34 50.06 37.91 2.87 1.55 0.87 0.00 2.85 3.89 75 P C T 73.89 7.60 16.76 25.41 110.13 -125.84 -64.86 136.35 86.49 1.62 11.88 25.02 13.17 48.74 5.82 5.55 0.01 0.89 0.80 76 G C T 49.57 4.68 17.53 22.91 100.72 14.23 82.99 -7.89 79.12 1.23 19.64 15.39 15.95 47.63 11.13 8.47 0.03 0.62 0.78 77 T C C 49.37 14.29 14.35 28.26 109.13 74.10 -101.79 49.26 61.70 4.06 34.24 29.38 18.08 15.64 21.62 11.20 0.12 1.82 2.15 78 K C H 107.54 9.35 19.26 28.67 102.25 67.16 -81.14 0.53 48.27 7.78 43.95 27.18 11.62 11.07 31.86 10.80 0.20 4.68 2.60 79 M H H 59.26 14.77 18.18 32.44 104.99 69.33 -84.53 45.59 43.65 9.27 47.09 29.13 7.70 7.64 35.06 11.46 0.09 6.32 2.58 80 I H H 45.42 16.17 19.50 34.90 107.23 58.16 -80.19 111.66 40.30 9.49 50.21 24.18 8.19 9.36 37.57 11.52 0.15 6.55 2.46 81 F H H 60.39 16.91 18.74 34.39 96.40 54.42 -70.50 -27.20 40.84 7.90 51.26 20.49 8.93 13.19 36.15 13.41 0.31 4.93 2.59 82 A C H 48.95 9.73 20.11 30.02 94.78 65.30 -67.96 -30.93 52.82 3.13 44.04 12.78 9.66 29.72 31.72 12.65 0.29 1.84 1.34 83 G C T 27.91 10.72 19.02 30.08 95.87 51.17 -68.52 -22.97 65.10 1.59 33.32 16.95 11.60 36.54 21.66 11.54 0.06 0.81 0.84 84 I C C 32.05 19.32 14.37 32.80 99.52 64.32 -80.70 -15.00 65.31 2.88 31.81 39.82 12.12 13.70 22.69 8.72 0.03 1.37 1.54 85 K C C 103.71 10.04 16.90 27.04 99.88 73.80 -80.90 -15.90 74.78 2.27 22.95 46.83 14.67 13.03 17.33 5.84 0.01 1.03 1.26 86 K C C 115.21 4.55 16.51 22.06 113.47 86.14 -85.28 138.92 78.25 1.75 20.00 42.46 28.60 6.90 17.70 2.70 0.01 0.58 1.06 87 K H H 133.47 5.26 15.13 21.95 100.03 -103.55 -63.27 -33.14 24.21 0.26 75.53 5.16 5.92 14.13 70.54 3.91 0.08 0.10 0.16 88 G H H 39.00 5.31 17.94 24.03 95.61 34.06 -39.17 -33.92 23.85 0.21 75.94 5.22 3.81 15.31 71.17 4.21 0.06 0.10 0.11 89 E H H 54.17 13.79 17.57 31.38 93.22 54.98 -66.87 -38.61 11.15 0.20 88.65 5.94 1.61 4.30 84.96 2.98 0.01 0.11 0.08 90 R H H 47.49 19.29 18.16 36.28 92.12 54.06 -62.88 -41.93 2.48 0.03 97.49 1.21 0.33 0.98 96.81 0.64 0.00 0.01 0.01 91 E H H 87.44 8.11 23.81 32.17 91.69 51.34 -64.23 -40.92 0.63 0.00 99.37 0.21 0.06 0.29 99.26 0.18 0.00 0.00 0.00 92 D H H 55.50 9.05 24.93 34.28 91.82 50.48 -65.51 -40.64 0.36 0.00 99.64 0.09 0.03 0.19 99.60 0.10 0.00 0.00 0.00 93 L H H 5.38 23.74 22.20 45.51 91.37 50.23 -64.28 -43.64 0.15 0.00 99.85 0.02 0.01 0.08 99.85 0.04 0.00 0.00 0.00 94 I H H 13.66 19.87 23.37 42.80 91.33 49.75 -63.40 -42.93 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 95 A H H 36.17 6.31 25.67 32.94 91.25 51.75 -62.85 -42.68 0.07 0.00 99.93 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 96 Y H H 36.15 14.48 23.23 37.94 91.64 49.62 -63.88 -43.17 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 97 L H H 4.99 24.34 19.18 43.48 91.50 49.57 -63.71 -42.87 0.20 0.00 99.80 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 98 K H H 82.52 11.12 21.28 32.32 91.34 51.06 -63.18 -40.99 0.92 0.00 99.08 0.09 0.05 0.67 99.06 0.13 0.00 0.00 0.00 99 K H H 113.53 3.34 22.19 25.16 92.00 50.07 -66.10 -38.47 4.82 0.01 95.17 0.45 0.33 3.68 95.20 0.33 0.00 0.00 0.00 100 A H H 21.94 14.94 15.53 31.01 92.91 51.40 -69.02 -33.47 14.80 0.07 85.13 2.45 1.65 9.93 85.14 0.76 0.01 0.02 0.04 101 T H H 40.73 15.14 13.11 27.90 97.39 52.21 -80.75 -18.68 38.42 0.58 61.00 10.55 6.29 21.75 59.44 1.40 0.05 0.20 0.32 102 N C C 112.55 3.19 14.08 18.49 100.33 61.23 -82.10 5.73 69.12 0.57 30.30 36.66 2.46 27.43 31.49 1.41 0.00 0.22 0.33 103 E C C 125.22 4.48 13.14 19.19 106.06 91.58 -84.30 57.75 99.78 0.06 0.16 99.46 0.16 0.21 0.11 0.01 0.00 0.03 0.02