# 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 100.24 8.55 12.22 21.79 116.72 -162.25 -93.98 131.47 99.93 0.06 0.01 99.89 0.05 0.02 0.00 0.00 0.00 0.02 0.01 1 R C C 157.82 3.53 10.74 16.21 114.77 -146.53 -92.52 132.59 91.14 3.75 5.12 87.47 1.10 3.41 2.53 1.72 0.00 2.04 1.73 2 H C C 123.17 5.53 8.90 16.16 114.75 -142.65 -92.74 132.20 87.99 4.79 7.22 68.05 11.63 8.31 3.04 4.05 0.00 2.94 1.99 3 R C C 152.17 4.24 10.09 16.16 113.77 -141.64 -94.09 127.67 86.88 4.60 8.52 64.68 14.09 8.08 3.65 4.84 0.00 2.71 1.95 4 K C C 133.53 4.69 10.58 17.12 112.32 -134.46 -92.26 124.96 86.05 4.09 9.86 63.33 13.99 8.64 5.12 4.72 0.00 2.24 1.94 5 S C C 76.59 4.70 11.33 17.66 110.96 -141.09 -89.37 132.80 83.95 2.28 13.77 42.10 17.79 24.62 6.64 6.58 0.01 1.15 1.12 6 G C C 44.55 6.19 12.74 20.07 109.49 28.20 81.56 -16.34 82.17 1.73 16.10 33.43 24.16 25.35 7.11 8.17 0.01 0.79 0.97 7 V C C 82.44 7.97 12.29 21.33 107.66 62.06 -86.06 92.86 78.09 3.65 18.26 49.61 18.01 10.45 9.36 8.81 0.01 1.87 1.88 8 K C C 126.15 5.00 14.89 21.12 106.72 -120.24 -89.06 83.86 78.74 5.40 15.86 59.04 10.87 8.66 8.41 7.32 0.01 3.14 2.56 9 L C C 74.03 12.40 10.71 23.09 103.94 112.65 -75.57 68.50 84.22 3.23 12.54 43.92 12.80 28.29 5.95 5.76 0.00 1.83 1.45 10 G C C 57.54 2.43 15.60 18.54 98.31 22.07 71.78 3.27 90.71 1.49 7.79 38.01 20.32 32.82 3.44 3.97 0.00 0.77 0.66 11 R C C 101.53 7.86 10.23 19.72 121.50 110.13 -94.11 154.84 93.01 1.64 5.35 45.80 41.82 5.49 3.37 1.74 0.00 0.62 1.16 12 T C C 83.53 2.20 15.77 17.74 118.35 -100.21 -75.19 158.46 94.85 1.40 3.76 76.91 15.69 2.06 3.11 0.74 0.00 0.46 1.03 13 S H H 67.81 6.46 11.41 19.52 94.03 -107.11 -59.95 -39.42 8.93 0.04 91.03 2.91 2.57 3.56 89.92 1.00 0.00 0.01 0.02 14 S H H 80.65 1.40 15.62 16.43 92.49 53.08 -64.45 -39.25 4.97 0.02 95.01 0.97 0.69 3.02 94.22 1.08 0.01 0.00 0.01 15 H H H 101.37 3.54 16.14 20.42 92.37 48.93 -66.54 -39.66 2.33 0.02 97.66 0.86 0.29 1.16 96.64 1.04 0.00 0.01 0.01 16 R H H 53.96 15.05 13.62 28.83 91.68 51.50 -64.08 -42.04 0.62 0.00 99.38 0.22 0.06 0.27 99.21 0.23 0.00 0.00 0.00 17 K H H 93.57 9.27 18.75 28.60 91.26 51.26 -62.82 -41.16 0.32 0.00 99.68 0.09 0.02 0.15 99.66 0.07 0.00 0.00 0.00 18 A H H 54.93 2.86 22.04 24.11 91.36 50.53 -63.71 -41.59 0.29 0.00 99.71 0.07 0.02 0.15 99.70 0.05 0.00 0.00 0.00 19 M H H 55.93 10.73 20.75 32.03 91.93 49.72 -64.90 -41.93 0.24 0.00 99.76 0.05 0.01 0.13 99.77 0.04 0.00 0.00 0.00 20 F H H 17.24 21.88 18.60 39.90 91.57 49.77 -63.71 -42.44 0.17 0.00 99.83 0.04 0.01 0.09 99.85 0.02 0.00 0.00 0.00 21 Q H H 76.18 11.12 22.74 33.62 91.32 51.37 -62.84 -41.82 0.15 0.00 99.85 0.03 0.01 0.08 99.87 0.02 0.00 0.00 0.00 22 N H H 83.02 3.95 25.91 29.65 91.70 49.40 -65.32 -40.88 0.27 0.00 99.73 0.04 0.01 0.17 99.75 0.03 0.00 0.00 0.00 23 M H H 22.66 18.08 22.13 39.73 91.88 50.01 -64.48 -42.65 0.41 0.00 99.59 0.05 0.02 0.27 99.61 0.04 0.00 0.00 0.00 24 T H H 6.72 23.48 20.57 43.58 91.60 50.30 -63.65 -42.47 0.57 0.00 99.42 0.07 0.04 0.37 99.47 0.06 0.00 0.00 0.00 25 N H H 60.83 7.87 24.86 33.06 91.49 51.18 -64.00 -41.03 0.76 0.00 99.24 0.13 0.06 0.46 99.15 0.20 0.00 0.00 0.00 26 S H H 29.89 7.80 23.16 32.12 91.49 51.24 -64.53 -40.65 1.26 0.01 98.74 0.16 0.08 0.89 98.34 0.52 0.00 0.00 0.00 27 L H H 5.54 23.76 17.16 40.98 91.69 51.27 -64.79 -41.30 1.73 0.01 98.26 0.18 0.12 1.35 97.53 0.82 0.00 0.00 0.00 28 F H H 52.31 17.57 18.67 35.41 92.60 49.36 -67.57 -36.18 5.13 0.02 94.85 0.35 0.35 4.30 94.21 0.76 0.02 0.01 0.01 29 E H H 123.14 3.08 21.90 24.79 95.11 45.60 -76.37 -31.40 17.76 0.04 82.20 0.88 1.41 14.99 82.11 0.55 0.02 0.01 0.03 30 H C H 82.36 9.86 17.29 27.67 106.37 32.76 -110.28 7.28 63.80 0.46 35.74 25.25 11.78 24.21 37.12 1.20 0.01 0.15 0.27 31 E C S 94.84 13.57 17.46 30.37 96.47 -144.76 42.18 1.46 96.28 2.70 1.03 30.55 59.04 6.98 0.36 0.55 0.00 2.20 0.32 32 L E E 65.18 10.30 22.37 32.90 130.72 48.57 -130.67 144.82 42.67 55.55 1.78 32.24 7.12 3.52 0.49 1.07 0.00 54.55 1.02 33 I E E 10.51 24.20 15.21 39.60 122.93 -166.22 -120.17 132.57 20.21 79.21 0.57 19.07 1.08 0.27 0.32 0.23 0.00 77.46 1.58 34 K E E 113.44 6.37 25.31 32.48 116.05 -158.38 -108.17 125.68 17.65 82.15 0.20 16.41 1.15 0.17 0.11 0.09 0.00 80.96 1.13 35 T E E 18.74 19.71 15.30 34.65 140.27 145.50 -147.67 167.90 44.18 55.69 0.13 37.19 5.81 0.31 0.05 0.09 0.00 55.64 0.92 36 T C C 61.01 6.46 22.42 28.83 119.03 -96.74 -81.67 156.91 86.69 12.96 0.34 77.68 8.56 0.49 0.18 0.16 0.00 11.89 1.06 37 L H H 74.79 12.77 15.60 28.50 93.72 -103.95 -59.69 -39.43 7.72 0.04 92.24 2.45 2.32 2.66 92.00 0.53 0.00 0.01 0.02 38 P H H 79.27 2.72 22.46 24.31 91.53 51.73 -63.19 -40.17 3.08 0.01 96.91 0.48 0.34 1.97 96.59 0.60 0.01 0.00 0.00 39 K H H 62.72 12.55 19.94 32.56 92.10 48.46 -66.69 -39.34 1.24 0.01 98.75 0.27 0.12 0.71 98.33 0.57 0.00 0.00 0.00 40 A H H 3.72 23.71 15.26 39.26 91.31 52.27 -62.82 -42.23 0.38 0.00 99.61 0.09 0.03 0.18 99.51 0.19 0.00 0.00 0.00 41 K H H 103.18 5.60 24.68 30.65 91.42 51.34 -63.49 -41.11 0.33 0.00 99.67 0.04 0.01 0.20 99.66 0.09 0.00 0.00 0.00 42 E H H 74.10 6.76 24.45 31.69 91.48 50.23 -64.05 -42.06 0.59 0.00 99.41 0.04 0.02 0.45 99.40 0.09 0.00 0.00 0.00 43 L H H 2.75 25.97 18.57 44.80 91.47 49.84 -64.09 -41.88 0.53 0.00 99.47 0.05 0.02 0.35 99.52 0.06 0.00 0.00 0.00 44 R H H 76.77 17.78 21.98 37.84 91.17 53.03 -61.77 -41.30 0.25 0.00 99.75 0.02 0.01 0.14 99.75 0.07 0.00 0.00 0.00 45 R H H 142.62 2.67 26.50 28.99 91.37 51.29 -65.50 -39.36 0.71 0.00 99.29 0.04 0.02 0.55 99.22 0.17 0.00 0.00 0.00 46 V H H 28.31 16.27 22.85 38.53 94.62 45.42 -73.57 -38.96 2.85 0.00 97.14 0.07 0.09 2.66 96.93 0.25 0.00 0.00 0.00 47 A H H 0.74 28.08 18.96 47.84 92.26 51.35 -67.78 -38.96 2.70 0.00 97.29 0.10 0.13 2.24 97.37 0.15 0.00 0.00 0.00 48 E H H 72.95 12.42 24.75 36.86 91.38 57.86 -60.84 -42.95 1.18 0.00 98.82 0.16 0.06 0.70 98.49 0.60 0.00 0.00 0.00 49 P H H 53.03 6.35 26.68 33.95 91.34 50.67 -64.30 -40.16 0.79 0.00 99.21 0.07 0.03 0.54 98.84 0.51 0.00 0.00 0.00 50 L H H 3.56 24.96 21.76 46.35 91.75 50.12 -64.57 -43.25 0.21 0.00 99.78 0.02 0.01 0.15 99.36 0.47 0.00 0.00 0.00 51 I H H 7.70 23.60 22.05 45.08 91.51 49.68 -63.78 -42.31 0.26 0.00 99.74 0.03 0.01 0.19 99.30 0.46 0.00 0.00 0.00 52 T H H 67.92 4.53 27.42 32.07 91.58 50.57 -63.89 -41.89 1.47 0.00 98.52 0.10 0.08 1.26 97.56 0.99 0.00 0.00 0.00 53 M H H 35.90 12.70 21.85 35.27 91.50 50.67 -65.54 -37.69 3.59 0.00 96.41 0.18 0.19 3.20 94.39 2.03 0.00 0.00 0.00 54 A H H 3.13 25.19 14.37 40.05 90.72 57.66 -68.57 -25.78 22.76 0.05 77.19 1.64 1.21 19.46 74.56 3.05 0.02 0.02 0.03 55 K C T 108.96 9.73 20.96 30.69 92.84 60.68 -78.26 -18.25 54.84 0.13 45.03 4.42 4.24 44.46 43.58 3.15 0.01 0.05 0.10 56 E C C 108.37 4.22 20.16 24.87 114.32 76.12 -96.56 131.39 78.05 0.41 21.54 29.78 28.98 17.40 21.72 1.64 0.01 0.11 0.37 57 D C C 86.07 11.93 13.40 25.57 105.03 -132.75 -80.87 76.13 98.86 0.33 0.82 72.34 22.39 4.15 0.46 0.30 0.00 0.12 0.24 58 S C C 47.32 4.24 18.47 23.46 133.69 137.50 -129.63 167.06 97.71 1.19 1.10 69.48 27.32 0.53 1.04 0.15 0.00 0.23 1.25 59 V H H 93.99 5.90 14.73 22.20 91.60 -102.68 -60.04 -37.36 3.43 0.01 96.56 0.55 0.68 1.95 96.36 0.46 0.00 0.00 0.01 60 A H H 62.92 2.61 19.08 21.36 91.42 52.93 -63.76 -40.86 1.98 0.00 98.01 0.30 0.18 1.28 97.75 0.49 0.00 0.00 0.00 61 N H H 29.93 14.46 15.79 30.86 92.22 49.04 -66.02 -39.73 0.73 0.00 99.27 0.21 0.07 0.36 98.91 0.45 0.00 0.00 0.00 62 R H H 60.35 17.83 16.63 33.49 91.64 52.71 -62.70 -41.61 0.17 0.00 99.83 0.03 0.01 0.08 99.78 0.09 0.00 0.00 0.00 63 R H H 134.89 2.98 24.03 26.60 91.53 50.55 -64.08 -40.95 0.15 0.00 99.85 0.02 0.01 0.10 99.82 0.06 0.00 0.00 0.00 64 L H H 63.77 6.57 23.24 30.30 91.73 49.92 -64.25 -42.10 0.22 0.00 99.78 0.02 0.01 0.15 99.73 0.09 0.00 0.00 0.00 65 A H H 2.12 24.73 15.39 40.70 91.48 50.38 -63.27 -42.81 0.47 0.00 99.53 0.03 0.02 0.34 99.35 0.25 0.00 0.00 0.00 66 F H H 65.58 14.41 19.05 33.17 91.73 51.18 -64.05 -37.61 1.74 0.00 98.26 0.09 0.07 1.45 97.02 1.37 0.00 0.00 0.00 67 S H H 77.99 1.70 23.13 23.33 91.90 52.88 -67.43 -33.02 9.82 0.00 90.18 0.16 0.24 9.90 87.53 2.16 0.00 0.00 0.00 68 R H H 87.83 11.76 18.48 30.24 96.39 45.41 -81.30 -29.36 19.92 0.01 80.07 0.32 0.78 19.37 77.80 1.70 0.01 0.00 0.01 69 M C H 14.58 23.27 11.14 33.35 111.03 55.30 -98.20 105.30 63.83 1.21 34.95 33.59 14.49 15.31 33.64 1.56 0.01 0.28 1.12 70 R C C 173.58 2.47 19.74 22.74 96.24 -153.32 -62.25 -7.50 98.94 0.18 0.88 45.67 41.09 12.18 0.60 0.27 0.00 0.07 0.12 71 S C C 44.52 8.36 14.96 24.85 114.98 80.71 -109.87 116.19 99.05 0.20 0.75 64.09 32.15 2.82 0.52 0.19 0.00 0.05 0.18 72 K H H 132.65 6.20 14.44 22.82 93.13 -159.58 -64.55 -32.42 5.98 0.01 94.01 0.94 1.35 3.28 93.50 0.93 0.00 0.00 0.00 73 T H H 97.15 1.60 21.07 21.47 92.08 56.38 -64.47 -40.09 3.29 0.00 96.71 0.27 0.30 2.55 95.99 0.88 0.00 0.00 0.00 74 M H H 22.44 16.20 17.27 33.97 92.35 47.61 -65.92 -41.89 1.13 0.00 98.87 0.17 0.08 0.74 98.18 0.82 0.00 0.00 0.00 75 V H H 7.84 22.49 16.19 38.69 91.18 51.70 -62.03 -43.86 0.18 0.00 99.82 0.03 0.01 0.09 99.81 0.06 0.00 0.00 0.00 76 G H H 28.76 6.07 23.40 30.04 91.46 51.25 -62.46 -42.36 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.04 0.00 0.00 0.00 77 K H H 92.47 6.04 24.66 30.89 91.74 49.88 -64.65 -41.54 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 78 L H H 2.79 25.51 18.06 43.96 91.51 48.17 -63.77 -43.51 0.19 0.00 99.81 0.01 0.01 0.13 99.80 0.05 0.00 0.00 0.00 79 F H H 33.94 20.35 19.77 38.90 94.10 41.58 -72.00 -36.54 0.95 0.00 99.05 0.03 0.03 0.89 98.94 0.11 0.00 0.00 0.00 80 G H H 43.01 3.47 22.89 26.22 100.89 36.53 -87.57 -39.40 10.41 0.01 89.59 0.07 0.26 11.07 88.23 0.35 0.02 0.00 0.00 81 T C T 69.44 5.25 21.83 27.53 105.54 24.66 -104.34 -40.38 67.28 0.02 32.70 0.20 1.63 64.70 32.80 0.62 0.01 0.01 0.03 82 L H H 7.51 22.16 17.44 39.68 99.98 34.28 -86.41 -40.16 37.55 0.06 62.40 0.60 2.41 34.66 60.42 1.78 0.07 0.01 0.06 83 G H H 6.17 20.76 15.48 36.17 91.81 62.98 -59.39 -44.80 7.03 0.02 92.95 1.08 0.62 4.49 67.96 25.83 0.00 0.01 0.01 84 P H H 79.48 3.33 22.43 25.45 91.29 50.65 -64.06 -34.58 3.99 0.01 96.01 0.25 0.19 3.07 66.81 29.67 0.00 0.01 0.00 85 R H H 115.96 6.94 20.41 27.87 91.65 52.56 -69.67 -30.02 4.27 0.01 95.72 0.18 0.20 3.45 69.57 26.59 0.00 0.00 0.00 86 Y H H 15.01 21.91 12.65 34.74 99.01 40.76 -105.09 2.19 25.62 0.17 74.22 1.95 2.41 19.53 56.80 18.96 0.13 0.06 0.15 87 Q C T 93.86 11.68 15.81 27.90 93.49 102.34 -60.92 -33.02 96.32 0.14 3.54 4.15 3.14 89.40 2.36 0.77 0.00 0.05 0.12 88 N C T 133.45 1.26 19.25 18.91 95.03 45.15 -86.98 3.78 98.86 0.07 1.06 1.78 6.28 91.03 0.26 0.56 0.00 0.04 0.03 89 R C C 76.14 14.70 11.46 26.15 116.80 107.43 -89.29 130.13 99.52 0.39 0.09 72.24 27.03 0.27 0.03 0.04 0.00 0.12 0.28 90 P C T 94.02 3.78 20.46 24.51 110.35 -115.83 -67.08 140.10 97.24 1.28 1.49 12.41 13.08 71.36 0.13 1.82 0.00 0.76 0.45 91 G C T 28.09 10.92 19.39 30.38 106.77 15.62 91.36 -9.11 95.34 3.08 1.58 5.24 15.88 73.84 0.07 2.03 0.00 2.46 0.48 92 G C C 12.91 17.85 19.17 36.08 120.16 -142.69 87.93 168.45 81.97 15.74 2.29 64.97 11.77 4.15 0.21 2.79 0.00 15.02 1.09 93 Y E E 43.98 18.09 24.02 40.80 117.07 -146.36 -117.39 152.98 35.15 64.64 0.21 25.09 10.68 0.87 0.04 0.19 0.00 62.11 1.02 94 L E E 10.63 24.20 19.72 43.50 124.67 4.48 -115.83 136.99 2.93 97.05 0.02 2.46 0.29 0.03 0.00 0.01 0.00 97.14 0.06 95 R E E 74.96 12.39 26.17 38.39 129.32 -170.93 -128.31 140.03 0.55 99.45 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.49 0.01 96 I E E 34.69 20.59 18.80 38.60 119.09 -151.69 -109.60 127.01 0.29 99.71 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.00 97 V E E 36.52 12.87 21.07 34.71 124.11 -169.83 -118.78 136.29 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.00 98 K E E 104.07 9.54 20.79 30.85 113.42 -125.98 -82.93 128.62 1.45 98.55 0.00 1.30 0.06 0.01 0.00 0.00 0.00 98.59 0.04 99 C E E 27.70 17.31 14.72 31.79 121.65 -174.29 -120.28 142.83 18.54 81.42 0.04 16.84 1.11 0.09 0.01 0.02 0.00 81.62 0.31 100 G E E 26.97 6.02 20.13 26.96 138.14 -85.90 127.33 -173.03 33.07 66.85 0.08 23.90 8.48 0.68 0.01 0.07 0.00 66.31 0.56 101 N E E 97.00 6.22 15.62 23.17 118.36 -55.50 -87.82 141.70 31.96 67.71 0.33 26.48 3.94 0.51 0.15 0.24 0.00 59.86 8.82 102 R C C 89.31 10.99 9.43 21.29 114.88 -126.27 -88.50 133.71 62.72 36.82 0.46 56.01 4.44 0.76 0.20 0.33 0.00 30.60 7.66 103 D C T 126.02 1.22 11.96 13.84 107.13 -109.26 -64.96 129.28 93.42 1.08 5.49 3.28 13.92 75.02 0.22 6.45 0.00 0.75 0.35 104 G C T 67.91 0.40 12.21 10.68 99.45 18.25 80.70 -5.08 92.59 0.37 7.04 1.83 12.68 76.46 0.21 8.43 0.00 0.21 0.19 105 D C T 73.66 6.73 9.23 17.31 117.20 69.20 -118.98 128.96 89.61 1.72 8.67 7.54 27.39 52.82 0.33 10.25 0.00 0.99 0.69 106 N C T 127.60 1.89 14.81 17.30 96.14 -138.88 -57.93 13.14 95.87 3.10 1.03 31.72 31.61 32.62 0.11 1.10 0.00 2.21 0.63 107 A C C 31.42 10.37 13.06 25.23 121.00 123.18 -84.15 150.85 79.71 20.20 0.09 52.22 28.47 0.50 0.02 0.08 0.00 17.19 1.52 108 P E E 42.11 10.86 18.69 30.64 114.68 -103.95 -66.61 147.37 38.31 61.66 0.03 36.67 1.19 0.07 0.01 0.02 0.00 58.88 3.15 109 M E E 36.66 16.11 19.90 36.02 126.04 -143.62 -116.50 147.86 10.06 89.93 0.01 8.93 0.90 0.04 0.00 0.01 0.00 89.54 0.58 110 A E E 5.48 22.61 18.95 41.78 128.43 -156.98 -118.50 144.58 1.53 98.47 0.00 1.39 0.07 0.00 0.00 0.00 0.00 98.47 0.05 111 Y E E 51.47 12.68 26.24 39.45 121.06 -150.99 -111.14 133.70 0.45 99.55 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.56 0.01 112 V E E 4.46 25.33 19.24 45.11 121.55 -162.41 -114.20 131.54 0.29 99.71 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.00 113 E E E 51.23 11.77 26.99 39.18 123.32 -169.25 -117.92 136.76 0.33 99.67 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 114 L E E 15.34 21.96 18.56 40.55 115.75 -136.66 -90.62 130.26 2.54 97.46 0.00 2.13 0.30 0.02 0.00 0.00 0.00 97.45 0.09 115 V E E 30.29 13.11 19.31 33.53 124.14 -163.52 -114.60 140.05 22.62 77.27 0.11 19.75 2.25 0.28 0.03 0.08 0.00 76.72 0.89 116 D C C 78.01 8.78 16.44 26.12 109.39 -132.23 -88.03 119.14 67.37 32.30 0.33 39.36 25.58 2.96 0.04 0.33 0.00 30.69 1.03 117 R C C 120.97 8.65 11.87 21.52 113.29 -136.50 -94.02 127.96 91.51 8.15 0.33 82.39 6.85 2.09 0.05 0.31 0.00 7.44 0.86 118 D C C 116.43 2.18 14.91 17.96 105.75 -122.52 -78.65 96.96 99.91 0.08 0.01 99.80 0.10 0.05 0.00 0.00 0.00 0.04 0.01