# 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 98.58 8.32 11.22 20.65 114.80 -141.22 -87.25 135.54 99.85 0.13 0.02 99.72 0.15 0.03 0.01 0.00 0.00 0.05 0.03 1 K C C 113.95 4.70 11.13 17.53 114.16 -133.13 -90.07 128.67 97.59 0.88 1.52 97.01 0.61 0.52 0.57 0.48 0.00 0.31 0.49 2 P H G 85.82 5.80 9.99 17.45 95.14 -126.32 -61.13 -31.23 35.52 1.33 63.15 17.52 4.57 10.31 2.40 64.10 0.00 0.91 0.18 3 M H G 129.73 3.16 12.25 16.67 94.51 64.32 -70.75 -17.95 30.17 1.79 68.04 10.22 6.09 14.05 2.97 65.12 0.00 1.26 0.30 4 Y H G 121.73 6.70 11.55 19.70 100.48 55.20 -97.23 6.74 31.67 3.29 65.04 15.61 7.06 9.97 3.90 60.61 0.01 2.22 0.61 5 R C C 113.30 8.94 10.59 20.80 113.52 109.41 -81.04 130.12 81.40 7.93 10.67 59.62 15.58 5.19 4.11 6.89 0.01 3.75 4.86 6 S C C 46.02 7.72 11.65 20.91 127.10 168.96 -124.02 161.81 83.71 11.12 5.17 64.34 13.58 4.20 2.25 2.98 0.00 4.20 8.44 7 R C T 177.03 2.72 13.56 17.35 93.65 -115.64 -74.31 -16.12 81.76 3.02 15.22 11.09 28.63 42.42 1.60 13.27 0.02 1.75 1.22 8 S C T 64.76 5.43 13.36 20.03 96.32 67.23 -81.18 -11.27 82.48 4.08 13.44 11.50 26.32 45.01 1.03 12.29 0.01 2.84 0.99 9 W C C 103.17 10.98 10.81 22.67 118.52 76.72 -102.84 129.71 65.78 21.93 12.30 36.73 21.56 9.25 1.46 10.52 0.04 17.65 2.78 10 R C C 123.63 5.19 15.01 21.62 121.44 -161.13 -104.69 139.93 55.07 44.62 0.31 48.39 4.86 0.65 0.07 0.22 0.00 45.03 0.78 11 R E E 127.88 8.48 12.05 21.89 116.43 -131.90 -91.68 132.32 7.87 92.10 0.03 7.81 0.26 0.02 0.01 0.01 0.00 91.49 0.41 12 K E E 95.70 6.08 13.58 21.49 124.86 -172.32 -122.41 142.15 1.69 98.30 0.00 1.64 0.05 0.00 0.00 0.00 0.00 98.23 0.07 13 Y E E 146.88 4.83 12.17 19.00 115.99 -132.64 -92.63 129.47 1.01 98.99 0.00 0.95 0.03 0.00 0.00 0.00 0.00 99.00 0.02 14 V E E 63.72 6.82 10.76 19.71 125.99 -173.90 -123.67 146.50 1.35 98.65 0.00 1.26 0.05 0.00 0.00 0.00 0.00 98.66 0.03 15 R E E 164.65 2.21 11.34 15.04 114.39 -123.83 -87.82 128.20 6.70 93.29 0.01 6.49 0.21 0.01 0.00 0.00 0.00 92.52 0.77 16 T C C 47.75 7.92 6.79 16.27 122.94 -149.53 -92.06 163.84 96.06 3.89 0.04 95.92 0.58 0.08 0.01 0.02 0.00 3.07 0.32 17 P C T 120.65 1.11 9.41 11.21 95.65 -95.75 -63.12 -18.94 97.26 0.42 2.32 0.86 4.64 91.45 0.05 2.63 0.00 0.27 0.10 18 G C T 62.85 0.71 9.50 9.86 95.58 45.02 -78.60 -0.47 97.11 0.16 2.73 0.56 3.91 92.15 0.06 3.19 0.00 0.09 0.05 19 G C S 57.88 1.55 9.83 12.39 98.18 -99.52 84.78 4.99 96.35 0.81 2.84 15.27 75.76 5.42 0.24 2.51 0.00 0.41 0.40 20 R C C 137.62 2.53 9.62 13.96 118.12 132.06 -85.53 144.72 93.63 6.30 0.07 89.73 3.85 0.27 0.02 0.05 0.00 5.39 0.69 21 T E E 86.62 4.52 10.32 16.96 117.01 -129.36 -95.05 132.46 4.53 95.47 0.00 4.25 0.15 0.01 0.00 0.00 0.00 95.25 0.34 22 V E E 57.75 7.65 11.56 21.43 123.69 -170.16 -121.30 139.66 0.61 99.39 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.43 0.00 23 I E E 85.48 6.89 13.26 22.06 117.13 -139.81 -102.70 128.02 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 24 H E E 72.27 8.25 13.38 23.69 121.25 -165.60 -113.94 134.44 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.00 25 F E E 91.41 8.83 12.64 23.19 119.95 -156.86 -108.90 131.44 2.80 97.20 0.00 2.61 0.06 0.00 0.00 0.00 0.00 97.26 0.06 26 E E E 89.90 6.69 13.78 22.21 121.95 -167.89 -118.17 137.46 14.91 85.07 0.02 13.99 0.64 0.03 0.01 0.01 0.00 84.83 0.50 27 R E E 145.40 5.01 12.83 19.73 114.77 -121.07 -80.22 135.54 46.29 53.64 0.07 42.71 2.49 0.18 0.02 0.06 0.00 53.39 1.16 28 R C C 123.65 7.45 10.30 19.28 115.63 -132.71 -90.86 140.88 82.30 17.61 0.09 74.34 8.06 0.38 0.03 0.08 0.00 14.70 2.42 29 K C C 134.13 3.81 12.35 17.89 114.25 -113.93 -86.91 131.43 94.98 4.95 0.07 87.61 7.56 0.26 0.02 0.05 0.00 2.97 1.52 30 P C C 74.96 8.59 9.79 19.67 112.98 -112.69 -68.59 146.87 96.47 3.32 0.21 79.79 14.89 1.97 0.04 0.22 0.00 2.03 1.05 31 K C C 141.03 2.86 14.42 18.73 120.20 -151.57 -108.58 144.68 93.66 6.14 0.20 76.88 15.81 0.86 0.05 0.17 0.00 2.39 3.84 32 V C C 85.60 6.80 15.12 23.08 116.08 -102.91 -75.44 144.69 94.47 5.04 0.49 73.81 19.20 1.50 0.10 0.45 0.00 3.39 1.54 33 A C C 27.86 15.88 11.95 28.18 113.30 -109.90 -72.76 139.21 93.23 6.51 0.26 77.26 14.68 1.27 0.04 0.27 0.00 5.50 0.97 34 H E B 97.31 5.71 20.62 27.22 129.93 -170.25 -125.10 148.23 11.26 88.68 0.05 7.74 0.48 0.01 0.04 0.00 0.00 9.65 82.08 35 C C C 16.15 17.00 11.65 29.68 110.46 -108.90 -68.93 131.85 90.39 9.57 0.03 91.87 0.45 0.05 0.01 0.01 0.00 5.78 1.83 36 A C T 56.84 6.93 16.52 25.13 92.70 -143.23 -67.25 -25.11 99.84 0.07 0.09 0.37 4.11 95.39 0.00 0.07 0.00 0.04 0.02 37 M C T 108.60 5.30 15.60 21.95 100.52 44.18 -85.23 -41.27 99.85 0.06 0.09 0.06 2.35 97.49 0.00 0.05 0.00 0.03 0.01 38 C C T 69.75 4.32 13.86 19.52 102.45 18.47 -106.94 -14.29 99.84 0.06 0.10 0.23 3.83 95.81 0.00 0.07 0.00 0.03 0.02 39 G C C 48.08 4.69 12.68 19.30 95.56 -125.15 78.84 6.51 99.57 0.37 0.06 77.75 20.15 1.62 0.01 0.05 0.00 0.15 0.28 40 R C C 130.16 3.00 15.87 20.15 120.49 137.34 -81.18 147.10 98.11 1.87 0.02 77.92 20.39 0.12 0.00 0.01 0.00 0.90 0.65 41 P E B 88.38 5.42 17.04 23.84 114.39 -100.33 -64.55 144.22 5.54 94.42 0.04 3.63 0.19 0.01 0.05 0.00 0.00 7.81 88.30 42 L C C 21.79 21.82 9.60 30.41 113.00 -116.52 -81.50 131.44 93.36 6.46 0.18 91.19 2.28 0.36 0.03 0.15 0.00 4.74 1.25 43 N C C 115.37 3.04 21.62 24.66 103.91 -143.67 -85.20 28.09 95.71 3.85 0.44 64.95 23.22 7.56 0.06 0.52 0.00 2.58 1.12 44 G C C 28.40 10.97 17.69 28.65 126.25 -63.62 108.85 176.80 84.37 15.21 0.42 40.53 38.61 6.28 0.07 0.48 0.00 11.23 2.80 45 V C C 49.16 15.26 14.95 30.24 118.70 -73.69 -104.60 130.24 66.99 32.89 0.12 53.41 13.60 0.32 0.05 0.09 0.00 24.83 7.70 46 P C C 49.19 10.53 15.61 27.32 114.41 -111.44 -66.54 147.59 72.70 27.08 0.22 70.38 1.77 0.43 0.07 0.14 0.00 22.09 5.12 47 R C C 152.36 5.66 14.86 21.88 112.71 -134.65 -91.54 123.98 92.46 6.85 0.69 51.46 34.88 6.57 0.18 0.55 0.00 4.19 2.16 48 G C S 38.40 4.96 14.22 20.49 129.51 75.62 -136.56 -176.16 96.30 3.00 0.70 23.45 67.98 5.19 0.21 0.43 0.00 1.51 1.21 49 R C C 141.29 2.40 15.15 17.63 116.20 -52.85 -75.94 143.27 98.71 0.71 0.58 84.26 13.98 0.43 0.44 0.14 0.00 0.25 0.49 50 P H H 80.74 7.17 10.04 18.88 92.88 -113.68 -57.75 -38.50 18.57 0.13 81.30 2.17 2.16 12.78 65.24 17.47 0.04 0.07 0.06 51 S H H 78.70 1.33 13.86 14.85 91.96 54.18 -65.09 -35.34 15.45 0.11 84.45 1.54 1.53 11.06 67.91 17.81 0.05 0.06 0.05 52 E H H 96.93 3.59 13.70 18.36 93.04 51.71 -69.14 -34.84 8.93 0.15 90.93 1.93 1.19 5.17 72.41 19.13 0.02 0.09 0.05 53 L H H 43.56 13.94 9.16 23.15 92.54 57.71 -66.28 -35.31 9.21 0.14 90.65 1.99 1.11 5.44 71.68 19.63 0.02 0.08 0.04 54 R H T 156.54 3.21 14.06 18.75 91.70 60.04 -68.06 -23.65 44.67 0.15 55.18 1.71 2.15 39.89 39.70 16.27 0.06 0.07 0.14 55 K C T 161.80 0.88 15.33 14.77 95.19 52.71 -88.72 -4.91 63.62 0.16 36.22 2.50 3.82 57.21 21.27 14.93 0.02 0.08 0.17 56 L C S 46.94 12.62 7.28 20.29 118.38 101.80 -78.53 145.06 99.27 0.38 0.36 18.11 80.74 0.50 0.19 0.07 0.00 0.09 0.30 57 P C C 73.47 2.66 15.41 18.41 113.99 -105.88 -65.73 148.06 97.06 1.91 1.03 94.45 1.85 0.58 0.41 0.40 0.00 0.56 1.74 58 K H G 120.36 8.50 10.61 20.32 92.48 -117.53 -60.73 -32.01 46.38 0.62 53.00 5.61 7.87 31.18 2.93 51.76 0.01 0.35 0.30 59 T H G 93.80 3.63 13.04 17.84 92.59 63.69 -71.33 -18.68 45.71 0.80 53.49 4.94 7.13 31.87 2.94 52.30 0.01 0.45 0.35 60 K H G 137.75 2.94 14.80 18.49 95.09 59.96 -83.16 -9.01 42.92 1.56 55.52 15.01 12.01 15.40 3.29 52.87 0.01 0.83 0.58 61 K C C 74.00 12.95 10.27 23.34 107.10 86.85 -88.45 91.02 88.76 2.95 8.30 51.06 32.95 4.78 3.01 4.63 0.00 0.99 2.58 62 R C C 132.55 5.48 16.69 23.49 118.54 113.46 -97.19 134.79 96.12 3.24 0.64 78.01 17.15 0.81 0.28 0.33 0.00 1.28 2.15 63 P C C 57.29 13.71 11.59 25.51 111.47 -110.43 -67.54 140.26 94.29 4.02 1.69 78.09 10.70 5.09 0.48 1.25 0.00 1.82 2.58 64 E C C 126.63 4.29 15.60 21.30 118.03 -152.15 -105.96 133.67 91.85 6.88 1.27 71.45 15.52 3.75 0.41 0.88 0.00 2.50 5.48 65 R C C 111.36 9.28 10.96 21.33 119.62 -134.98 -96.64 143.50 93.18 4.80 2.02 63.99 24.39 4.66 0.64 1.41 0.00 2.17 2.75 66 P C C 90.78 4.68 13.43 19.37 97.28 -111.28 -66.76 -22.22 94.50 1.90 3.60 36.70 25.08 32.84 0.66 2.87 0.00 1.01 0.84 67 Y C C 122.84 6.56 10.71 18.68 106.91 41.03 -107.58 66.40 92.04 3.57 4.39 48.39 17.36 26.17 1.05 3.30 0.00 1.69 2.03 68 P C C 78.79 6.81 12.11 20.43 98.62 131.04 -68.90 -23.82 95.40 1.60 3.00 61.18 11.30 23.02 0.76 2.10 0.00 0.82 0.82 69 N C C 109.59 3.93 15.35 19.91 97.86 54.33 -87.70 -3.77 93.23 3.14 3.63 52.12 18.00 23.37 1.14 2.36 0.00 1.91 1.10 70 L C C 52.19 12.44 11.10 24.45 121.83 86.87 -101.46 142.29 79.86 16.33 3.80 57.02 17.78 3.06 2.60 1.15 0.02 4.40 13.98 71 C C C 48.25 6.57 15.86 24.07 115.05 -109.14 -71.13 146.34 94.84 1.66 3.50 92.40 1.98 0.44 3.53 0.21 0.00 0.70 0.75 72 P H H 72.71 7.85 14.61 23.88 92.16 -117.33 -59.93 -36.46 4.07 0.02 95.92 1.14 0.47 2.07 95.67 0.63 0.00 0.00 0.01 73 S H H 69.05 2.47 19.17 21.36 92.26 54.19 -64.83 -40.11 1.75 0.01 98.24 0.32 0.16 1.10 97.85 0.56 0.00 0.00 0.00 74 C H H 36.07 7.62 16.14 25.48 92.18 49.01 -65.59 -41.58 0.56 0.00 99.43 0.15 0.06 0.29 99.12 0.38 0.00 0.00 0.00 75 M H H 47.05 11.82 14.88 27.78 92.17 51.10 -64.40 -41.79 0.28 0.00 99.72 0.08 0.02 0.13 99.66 0.11 0.00 0.00 0.00 76 R H H 120.71 5.43 18.25 24.15 91.93 51.28 -64.20 -41.48 0.20 0.00 99.80 0.04 0.01 0.11 99.80 0.04 0.00 0.00 0.00 77 K H H 120.17 2.57 19.51 21.79 92.19 49.41 -65.68 -41.01 0.17 0.00 99.83 0.03 0.01 0.10 99.84 0.02 0.00 0.00 0.00 78 V H H 56.73 7.22 17.35 25.78 92.30 49.48 -65.16 -41.70 0.17 0.00 99.83 0.03 0.01 0.09 99.85 0.02 0.00 0.00 0.00 79 M H H 65.17 9.28 16.69 26.63 92.31 49.56 -64.59 -41.96 0.21 0.00 99.79 0.04 0.01 0.12 99.80 0.02 0.00 0.00 0.00 80 K H H 104.19 5.08 17.61 23.09 91.95 50.41 -64.12 -41.26 0.28 0.00 99.71 0.05 0.02 0.16 99.73 0.04 0.00 0.00 0.00 81 A H H 54.41 3.15 17.27 20.80 92.00 50.02 -64.94 -40.81 0.60 0.00 99.40 0.09 0.04 0.37 99.41 0.08 0.00 0.00 0.00 82 Q H H 94.08 4.28 16.77 21.54 92.40 50.22 -65.84 -40.03 1.40 0.01 98.59 0.24 0.11 0.90 98.56 0.18 0.00 0.00 0.00 83 V H H 62.51 6.87 13.91 21.58 92.90 49.35 -65.69 -40.75 3.33 0.03 96.64 0.73 0.34 2.06 96.39 0.45 0.00 0.01 0.01 84 R H H 132.88 3.63 14.02 18.45 92.75 51.74 -66.44 -36.33 8.42 0.08 91.50 1.93 0.93 5.36 90.73 0.96 0.01 0.04 0.03 85 A H H 72.29 2.36 12.79 15.82 94.47 55.10 -69.78 -30.36 19.91 0.20 79.88 4.78 2.70 12.42 78.19 1.67 0.04 0.09 0.10 86 S H H 76.02 2.69 11.31 14.96 98.71 58.97 -77.31 -19.38 34.41 0.54 65.05 11.13 6.24 17.80 61.95 2.34 0.04 0.23 0.26 87 I H H 115.18 3.66 8.88 13.92 102.14 63.03 -83.96 -5.93 47.26 1.49 51.25 21.30 8.70 18.54 47.20 2.87 0.05 0.67 0.67 88 T C C 105.83 1.78 8.68 11.81 106.44 63.06 -88.66 46.75 66.47 1.18 32.35 45.14 1.57 17.84 32.50 1.84 0.00 0.58 0.54 89 A C C 81.36 2.88 10.15 14.61 106.42 74.17 -82.83 85.41 99.78 0.09 0.13 99.52 0.14 0.17 0.09 0.01 0.00 0.05 0.02