# 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 33.80 18.66 22.70 40.30 124.62 -166.78 -117.11 135.29 95.97 4.03 0.00 95.96 0.23 0.00 0.00 0.00 0.00 3.77 0.03 1 V E E 15.27 20.72 21.92 42.03 121.11 -162.72 -114.50 129.98 4.32 95.68 0.00 4.43 0.05 0.00 0.00 0.00 0.00 95.33 0.18 2 I E E 31.34 16.76 24.42 40.84 116.53 -158.95 -104.70 124.88 1.21 98.79 0.00 1.13 0.03 0.00 0.00 0.00 0.00 98.75 0.08 3 L E E 12.38 22.19 18.20 40.07 124.21 -169.72 -112.61 141.82 4.70 95.30 0.00 4.69 0.14 0.00 0.00 0.00 0.00 94.35 0.81 4 D C C 41.68 10.98 20.87 32.77 109.53 -114.27 -75.02 128.29 92.28 7.71 0.01 92.30 0.50 0.02 0.00 0.00 0.00 6.99 0.18 5 P C T 57.76 13.73 14.63 29.02 91.99 -133.72 -64.54 -19.89 98.00 0.48 1.51 1.49 6.48 90.11 0.05 1.44 0.00 0.34 0.09 6 T C T 105.33 1.69 20.00 21.07 93.42 61.73 -86.70 -1.54 98.50 0.28 1.22 1.84 5.55 91.11 0.06 1.20 0.00 0.18 0.06 7 L C S 31.25 17.97 8.21 25.38 117.64 109.98 -74.68 141.88 98.02 0.90 1.08 43.51 53.54 0.98 0.42 0.51 0.00 0.25 0.79 8 D C C 92.42 1.98 19.68 20.34 116.92 -116.45 -76.77 155.27 99.04 0.23 0.72 98.25 0.68 0.23 0.56 0.06 0.00 0.05 0.17 9 E H H 119.66 8.52 11.77 21.61 91.47 -109.27 -58.67 -36.59 10.54 0.02 89.43 0.74 1.05 8.59 81.61 7.96 0.03 0.01 0.02 10 R H H 176.21 1.03 17.15 17.05 92.16 53.97 -66.34 -35.34 9.17 0.02 90.81 0.40 0.59 8.27 82.32 8.38 0.03 0.01 0.01 11 T H H 61.77 6.71 16.74 24.47 95.27 44.48 -74.60 -35.00 10.35 0.03 89.62 0.61 0.79 8.82 80.01 9.68 0.04 0.01 0.02 12 V H H 10.43 21.55 12.62 33.85 94.16 48.50 -71.94 -37.51 8.25 0.03 91.71 0.90 1.24 6.00 90.32 1.49 0.02 0.01 0.02 13 A H H 45.12 8.50 19.06 28.48 91.84 59.21 -60.80 -43.56 3.07 0.01 96.92 0.76 0.29 1.76 95.60 1.58 0.00 0.00 0.00 14 P H H 73.09 2.26 23.59 24.18 91.50 49.46 -63.59 -40.61 2.07 0.01 97.92 0.37 0.13 1.38 96.19 1.93 0.00 0.00 0.00 15 S H H 18.19 15.56 19.88 35.58 92.07 50.08 -65.17 -41.40 1.00 0.00 99.00 0.21 0.08 0.58 97.64 1.48 0.00 0.00 0.00 16 L H H 12.67 22.59 18.51 40.62 91.45 51.36 -63.19 -42.47 0.16 0.00 99.84 0.03 0.01 0.07 99.81 0.07 0.00 0.00 0.00 17 E H H 106.00 4.80 24.06 29.32 91.37 51.50 -63.25 -40.97 0.05 0.00 99.95 0.01 0.00 0.03 99.95 0.02 0.00 0.00 0.00 18 T H H 63.64 5.67 24.31 30.09 91.66 49.83 -64.39 -42.42 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 19 F H H 7.11 23.99 20.14 43.76 91.64 49.20 -64.11 -43.42 0.05 0.00 99.95 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 20 L H H 23.58 18.44 20.61 38.64 91.00 51.22 -62.58 -41.94 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 21 N H H 83.65 2.62 25.55 26.93 91.54 51.50 -64.03 -41.07 0.27 0.00 99.73 0.01 0.01 0.20 99.75 0.02 0.00 0.00 0.00 22 V H H 22.01 12.56 20.76 34.51 91.57 50.49 -64.04 -43.37 0.30 0.00 99.70 0.02 0.01 0.22 99.70 0.05 0.00 0.00 0.00 23 I H H 3.05 25.82 14.60 41.00 91.21 49.25 -63.63 -43.09 0.55 0.01 99.44 0.05 0.04 0.40 99.35 0.16 0.00 0.00 0.00 24 R H H 126.58 8.26 18.68 27.85 91.48 51.19 -63.06 -40.51 1.41 0.01 98.58 0.13 0.07 1.11 98.09 0.60 0.00 0.00 0.00 25 K H H 154.63 1.41 20.32 20.91 90.77 54.15 -65.66 -26.54 10.47 0.01 89.51 0.17 0.25 10.72 88.16 0.68 0.02 0.00 0.01 26 D C T 52.64 12.59 14.59 27.96 94.30 51.24 -92.08 3.56 85.14 0.02 14.84 0.17 0.82 84.34 14.15 0.50 0.00 0.00 0.02 27 G C T 46.40 3.15 22.16 25.26 99.78 -96.05 94.26 8.19 99.79 0.02 0.20 0.60 1.21 98.07 0.08 0.03 0.00 0.01 0.00 28 G C C 8.56 21.69 10.26 30.93 125.51 129.41 -87.17 165.36 91.82 8.16 0.02 88.67 2.71 0.12 0.00 0.01 0.00 8.29 0.18 29 T E E 70.77 4.12 25.28 29.59 126.02 -139.04 -124.85 145.24 24.43 75.54 0.03 23.27 0.74 0.04 0.01 0.01 0.00 75.44 0.49 30 V E E 40.43 21.02 11.92 31.86 111.92 -127.58 -88.75 121.66 2.59 97.40 0.01 2.64 0.06 0.01 0.00 0.00 0.00 97.20 0.09 31 D E E 88.10 3.75 19.54 24.05 99.99 177.69 -92.19 -33.84 4.24 95.74 0.02 2.79 0.98 0.08 0.00 0.01 0.00 96.11 0.02 32 K E E 105.32 3.73 22.06 26.48 138.43 -0.86 -153.38 149.82 2.07 97.91 0.02 1.47 0.28 0.04 0.00 0.01 0.00 98.19 0.01 33 V E E 47.06 20.59 11.27 30.45 123.97 -161.72 -128.64 128.23 1.54 98.46 0.01 1.33 0.07 0.00 0.00 0.00 0.00 98.58 0.01 34 D E E 72.27 5.22 21.68 27.35 118.79 -172.55 -120.75 122.43 2.76 97.23 0.01 2.29 0.17 0.01 0.00 0.00 0.00 97.51 0.02 35 I E E 76.00 12.76 14.08 27.29 114.53 -147.31 -97.61 122.37 5.87 94.12 0.02 5.26 0.23 0.02 0.00 0.01 0.00 94.43 0.05 36 W E E 118.35 8.45 14.78 24.48 103.93 174.96 -104.27 1.81 12.77 87.05 0.17 10.58 1.26 0.28 0.06 0.09 0.00 87.56 0.17 37 G E E 30.84 4.11 18.59 23.55 133.25 -96.07 117.83 -168.32 9.91 89.94 0.15 5.70 3.68 0.60 0.04 0.09 0.00 89.74 0.15 38 R E E 146.51 6.23 14.49 22.54 118.48 -46.92 -94.45 134.08 5.69 94.10 0.21 4.69 0.66 0.14 0.09 0.07 0.00 94.26 0.11 39 R E E 98.45 9.43 13.74 24.67 128.43 -175.69 -133.30 146.38 3.29 96.47 0.23 2.85 0.27 0.09 0.12 0.06 0.00 96.48 0.12 40 R E E 159.78 2.99 16.73 21.00 114.78 -118.15 -83.15 133.15 5.13 94.65 0.22 4.68 0.30 0.09 0.14 0.06 0.00 94.49 0.26 41 L E E 46.62 16.22 8.20 23.62 113.01 -122.06 -77.78 137.77 40.30 58.94 0.76 38.10 1.24 0.29 0.33 0.27 0.00 59.18 0.58 42 A C S 79.30 2.53 15.18 18.45 95.88 -149.56 -75.89 -25.41 64.83 34.48 0.69 22.57 37.66 4.43 0.11 0.51 0.00 34.11 0.61 43 Y C S 129.98 3.65 14.23 19.03 126.87 31.48 -130.69 146.69 58.27 41.16 0.57 11.02 43.65 4.06 0.09 0.40 0.00 39.97 0.81 44 E C C 127.43 4.45 12.43 18.68 111.80 -108.25 -77.98 126.80 55.43 43.18 1.38 49.32 4.01 1.10 0.61 0.80 0.00 40.95 3.20 45 I C C 72.64 9.76 8.95 19.61 112.18 -171.74 -107.11 106.15 67.47 29.35 3.18 55.68 7.23 3.18 1.49 1.82 0.01 23.24 7.36 46 A C S 82.80 2.50 13.07 16.22 100.48 -10.50 -64.22 20.50 85.75 5.43 8.82 24.05 31.25 31.13 1.25 7.20 0.01 4.13 0.97 47 K C T 159.60 1.69 14.03 15.98 100.78 -32.01 -76.31 6.73 86.54 5.27 8.19 19.21 33.82 34.01 0.85 7.26 0.00 4.00 0.84 48 H C C 98.58 8.11 12.95 22.18 111.02 46.78 -105.29 100.60 56.69 38.50 4.82 37.64 9.83 10.20 0.69 4.01 0.01 35.72 1.90 49 A E E 33.80 11.77 14.36 27.45 116.24 158.72 -102.68 130.81 40.79 58.88 0.32 32.92 6.00 1.09 0.07 0.25 0.00 58.86 0.82 50 E E E 79.14 9.41 21.09 30.89 128.87 -163.07 -125.07 144.45 16.01 83.84 0.14 12.59 2.99 0.52 0.03 0.10 0.00 83.37 0.40 51 G E E 7.16 17.41 18.47 36.05 141.60 161.62 -160.47 171.99 7.14 92.83 0.03 5.70 1.09 0.10 0.01 0.02 0.00 92.99 0.10 52 I E E 24.77 15.71 21.72 38.32 124.88 -103.69 -121.02 139.82 1.15 98.84 0.00 1.05 0.05 0.00 0.00 0.00 0.00 98.87 0.02 53 Y E E 38.94 16.21 22.05 38.37 120.19 -153.90 -109.05 133.30 0.36 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 54 A E E 8.49 19.73 20.46 40.58 124.86 -169.03 -121.70 138.83 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 55 V E E 29.19 13.59 24.00 38.31 119.31 -159.41 -112.87 126.40 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 56 I E E 13.05 21.16 19.75 41.13 121.36 -168.14 -115.13 129.87 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.00 57 D E E 46.90 10.41 25.41 36.37 115.93 -159.62 -106.20 123.29 0.46 99.53 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.01 58 V E E 9.88 23.16 16.56 39.80 125.82 -173.89 -121.52 138.37 0.63 99.36 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.35 0.03 59 K E E 96.05 7.28 25.51 33.37 118.22 -160.62 -111.74 125.58 4.36 95.61 0.03 3.59 0.61 0.05 0.01 0.01 0.00 95.56 0.17 60 A E E 14.04 18.99 14.71 33.87 139.25 146.51 -150.07 166.13 33.36 66.55 0.09 27.07 6.04 0.27 0.03 0.05 0.00 65.60 0.93 61 E C C 97.82 4.63 21.46 26.09 114.02 -87.88 -69.58 142.80 98.70 1.20 0.10 97.41 1.31 0.10 0.05 0.02 0.00 1.04 0.06 62 P H H 73.39 10.14 13.96 25.09 92.08 -111.51 -57.39 -36.15 26.45 0.15 73.40 2.42 2.39 19.66 57.05 18.27 0.04 0.09 0.07 63 A H H 75.43 2.01 19.93 21.12 90.94 58.10 -66.41 -27.66 22.55 0.14 77.31 1.98 1.86 16.63 59.67 19.66 0.06 0.08 0.06 64 T H H 34.23 12.58 16.38 29.69 95.66 49.63 -82.12 -26.30 14.59 0.34 85.07 4.12 1.95 7.57 65.46 20.55 0.03 0.20 0.11 65 V H H 15.31 21.57 13.81 34.88 92.05 66.47 -62.22 -43.56 2.86 0.03 97.11 1.24 0.39 1.21 95.26 1.87 0.00 0.02 0.01 66 S H H 61.83 3.31 22.28 25.19 91.71 52.04 -63.53 -41.22 1.60 0.02 98.38 0.48 0.16 0.88 97.29 1.17 0.00 0.01 0.00 67 E H H 90.54 4.11 21.66 25.76 91.85 49.90 -64.84 -41.30 1.30 0.01 98.68 0.33 0.13 0.77 97.79 0.97 0.00 0.01 0.00 68 L H H 8.14 22.24 15.01 37.49 92.11 50.71 -64.40 -42.49 1.15 0.01 98.84 0.28 0.11 0.67 98.14 0.79 0.00 0.01 0.00 69 D H H 52.58 13.49 17.71 31.08 91.75 52.63 -62.74 -41.16 2.55 0.02 97.43 0.47 0.19 1.70 96.61 1.02 0.00 0.01 0.00 70 R H H 158.87 1.42 20.46 20.45 92.02 49.96 -64.98 -39.04 5.89 0.02 94.09 0.58 0.38 4.65 92.93 1.42 0.01 0.01 0.01 71 Q H H 81.28 8.65 17.47 26.83 92.59 49.09 -68.96 -36.06 10.13 0.04 89.83 0.92 0.76 8.04 89.01 1.23 0.01 0.01 0.02 72 L H H 23.76 19.87 12.18 31.30 96.18 50.54 -81.13 -16.94 42.71 1.01 56.29 7.98 6.24 28.41 54.22 2.11 0.10 0.41 0.53 73 N C T 102.57 4.82 18.63 24.21 99.38 -129.10 -12.37 38.72 78.15 0.99 20.85 24.08 4.53 47.36 20.96 2.15 0.00 0.48 0.44 74 L C C 80.74 10.83 12.10 23.44 103.07 108.32 -82.07 19.10 82.66 2.49 14.85 58.20 12.07 11.25 13.37 2.66 0.00 1.13 1.30 75 N C C 89.84 5.20 14.86 21.31 110.95 121.24 -94.28 112.59 84.22 2.11 13.68 65.51 10.66 7.21 11.43 3.12 0.00 1.04 1.03 76 E C H 120.36 6.78 13.10 21.09 96.31 -134.57 -71.91 -18.55 51.94 1.41 46.65 13.11 9.78 28.11 28.55 18.91 0.09 0.83 0.61 77 S C H 68.13 5.00 15.15 21.24 96.74 68.04 -77.63 -13.98 49.27 2.87 47.86 14.06 7.66 26.48 29.29 19.52 0.11 2.07 0.82 78 V H H 51.94 13.11 12.42 25.77 104.33 64.23 -86.44 0.09 40.28 14.10 45.62 19.85 8.65 12.94 29.20 15.66 0.36 11.02 2.32 79 L C H 71.45 11.88 13.44 25.76 108.84 90.69 -86.62 110.56 40.09 24.99 34.91 26.52 7.43 6.74 28.50 6.60 0.25 20.62 3.35 80 R C C 136.76 6.27 15.54 22.96 107.37 -151.37 -90.75 66.33 45.74 24.59 29.67 33.54 5.63 4.98 25.12 5.23 0.05 23.68 1.78 81 T C C 62.42 11.17 13.10 24.73 113.45 105.48 -95.17 126.99 46.17 23.91 29.91 32.41 6.07 5.71 24.16 6.10 0.05 24.17 1.32 82 K C C 114.53 6.95 16.14 24.14 109.93 -147.55 -93.83 106.42 43.63 28.23 28.14 29.71 6.38 6.35 22.11 6.15 0.08 27.72 1.50 83 V C E 61.40 12.66 13.11 26.19 116.37 54.49 -101.09 126.61 39.24 37.84 22.92 29.42 4.65 4.19 19.39 4.25 0.04 35.85 2.20 84 L E E 81.59 8.56 14.38 24.19 118.68 -165.63 -106.58 133.31 39.92 43.58 16.51 30.99 4.79 3.06 15.27 2.80 0.04 39.10 3.95 85 R C C 129.97 6.51 13.25 21.31 114.67 -142.98 -96.46 125.86 58.45 28.11 13.43 47.51 5.82 3.40 11.40 2.77 0.01 26.86 2.22 86 T C C 74.29 7.76 10.77 19.83 106.18 -145.28 -81.63 63.09 67.75 10.72 21.53 39.10 12.86 16.30 12.91 8.12 0.03 9.26 1.42 87 D C C 100.65 3.83 10.76 16.15 106.58 56.23 -86.11 87.91 77.28 4.23 18.49 39.92 15.37 22.82 9.35 8.44 0.01 3.07 1.02 88 K C C 136.11 3.96 9.35 15.13 106.56 78.13 -88.41 66.77 85.10 2.30 12.59 70.92 3.84 11.26 6.58 5.06 0.00 1.57 0.78 89 H C C 134.91 3.84 10.97 16.55 109.24 78.50 -89.49 106.13 99.87 0.05 0.08 99.68 0.10 0.15 0.03 0.01 0.00 0.02 0.01