# 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 49.11 14.52 18.50 33.04 125.74 -169.03 -114.20 144.31 98.03 1.94 0.03 97.18 0.81 0.08 0.02 0.00 0.00 1.82 0.09 1 R E B 84.88 9.61 22.57 32.30 115.03 -120.87 -82.58 140.80 21.33 77.77 0.89 22.36 0.53 0.15 1.00 0.10 0.00 18.56 57.30 2 L H H 8.08 25.13 15.91 41.23 93.18 -122.03 -60.24 -40.30 5.23 0.15 94.61 0.64 0.57 3.94 88.35 6.30 0.05 0.11 0.04 3 D H H 48.09 14.43 20.21 34.20 91.28 54.45 -63.23 -38.89 2.39 0.02 97.59 0.21 0.15 1.91 92.15 5.56 0.00 0.02 0.00 4 K H H 100.62 4.64 24.30 28.85 91.82 50.76 -65.50 -40.44 1.31 0.01 98.68 0.14 0.10 0.97 92.62 6.14 0.00 0.01 0.00 5 F H H 15.09 19.74 19.29 38.97 92.17 50.36 -64.52 -42.91 2.30 0.03 97.67 0.32 0.22 1.66 93.42 4.35 0.01 0.02 0.01 6 L H H 7.48 22.94 16.87 39.82 91.86 50.55 -65.07 -38.87 9.23 0.26 90.51 1.25 0.92 6.91 84.17 6.42 0.09 0.14 0.09 7 K H H 106.79 6.78 20.77 28.11 92.18 53.73 -65.58 -36.51 22.55 0.33 77.13 2.89 1.98 17.43 72.57 4.72 0.09 0.17 0.15 8 V H H 64.38 8.95 19.35 28.84 93.14 52.38 -72.49 -29.05 34.06 0.79 65.15 6.05 6.30 22.99 60.24 3.41 0.20 0.34 0.47 9 S C H 22.31 17.35 14.27 31.29 99.15 60.64 -83.23 -2.30 62.96 1.04 36.00 11.93 20.35 30.66 31.68 4.15 0.12 0.37 0.72 10 R C T 155.59 4.46 19.95 25.27 94.66 -130.65 23.90 4.31 66.08 0.82 33.10 9.35 14.06 42.14 24.50 8.91 0.08 0.37 0.59 11 L C T 37.17 15.12 16.82 32.20 94.96 101.58 -79.27 -23.00 64.90 2.06 33.04 16.17 16.22 33.07 20.98 11.29 0.15 0.96 1.16 12 I C C 19.76 21.46 11.52 32.09 115.03 58.05 -104.88 116.50 62.69 3.73 33.58 28.73 15.53 19.36 19.76 12.89 0.10 1.80 1.84 13 K C C 141.93 3.20 19.07 23.15 96.85 139.86 -78.54 -26.90 72.22 1.68 26.09 27.13 23.18 22.34 15.79 9.86 0.03 0.78 0.87 14 R C C 125.32 4.10 18.80 23.48 122.42 44.23 -118.24 136.07 75.00 1.66 23.34 34.97 25.52 14.62 16.97 6.17 0.02 0.60 1.12 15 R H H 119.80 12.72 13.39 26.15 92.84 -138.95 -60.97 -34.24 20.02 0.20 79.78 6.31 6.30 7.64 77.66 1.87 0.02 0.06 0.12 16 T H H 84.62 2.19 21.50 22.61 91.81 57.46 -64.33 -40.07 12.16 0.10 87.74 2.99 2.03 6.95 86.31 1.60 0.03 0.04 0.05 17 L H H 42.54 9.99 19.68 30.88 92.02 49.68 -65.62 -40.94 5.89 0.09 94.02 2.15 0.80 2.86 92.76 1.36 0.01 0.04 0.03 18 A H H 2.21 25.25 14.03 39.75 91.09 52.18 -62.58 -43.49 1.52 0.03 98.46 0.68 0.18 0.58 98.16 0.39 0.00 0.01 0.00 19 K H H 95.80 8.63 23.05 31.89 91.48 50.74 -63.14 -41.84 0.58 0.01 99.41 0.20 0.05 0.25 99.36 0.13 0.00 0.00 0.00 20 E H H 96.27 2.74 25.22 26.75 91.47 50.03 -63.70 -42.44 0.34 0.00 99.66 0.09 0.03 0.17 99.64 0.07 0.00 0.00 0.00 21 V H H 9.56 17.69 18.30 36.89 91.62 48.85 -64.27 -43.17 0.36 0.00 99.64 0.06 0.02 0.21 99.60 0.10 0.00 0.00 0.00 22 A H H 11.07 21.02 15.31 35.99 91.83 50.60 -63.44 -42.46 0.67 0.00 99.32 0.07 0.03 0.47 99.14 0.28 0.00 0.00 0.00 23 D H H 108.40 2.40 20.61 23.30 91.16 50.67 -65.53 -31.96 5.97 0.00 94.02 0.13 0.15 5.79 93.51 0.40 0.00 0.00 0.00 24 Q C T 110.99 3.25 19.44 22.73 92.18 51.04 -85.02 -5.88 76.41 0.01 23.57 0.24 0.87 74.61 23.79 0.47 0.00 0.00 0.01 25 G C T 29.09 11.51 16.14 28.34 94.83 -112.83 80.95 12.33 99.85 0.01 0.14 1.20 2.25 96.47 0.05 0.03 0.00 0.00 0.00 26 R C C 95.53 9.33 22.08 31.93 96.79 120.98 -86.31 -11.66 94.05 5.93 0.02 75.05 18.39 0.36 0.00 0.02 0.00 5.96 0.21 27 I E E 3.77 25.94 14.17 40.86 124.72 58.84 -116.61 136.08 17.18 82.80 0.02 13.01 3.95 0.10 0.00 0.02 0.00 82.52 0.40 28 S E E 32.42 8.82 26.11 35.70 128.43 -172.04 -125.27 145.97 0.77 99.23 0.00 0.72 0.03 0.00 0.00 0.00 0.00 99.15 0.10 29 I E E 15.40 22.36 14.32 36.55 117.98 -162.85 -124.82 119.59 1.38 98.59 0.02 0.81 0.34 0.10 0.01 0.01 0.00 98.38 0.35 30 N C T 95.46 7.34 16.67 25.44 92.58 -12.49 55.43 39.76 99.50 0.37 0.14 0.21 2.58 96.82 0.00 0.12 0.00 0.24 0.02 31 G C T 60.14 2.01 15.88 18.50 94.90 -50.87 81.17 2.96 99.82 0.08 0.10 0.34 3.79 95.70 0.00 0.10 0.00 0.05 0.01 32 N E E 96.70 3.19 16.99 21.70 124.01 103.76 -110.17 142.24 4.33 95.65 0.02 2.51 1.74 0.18 0.01 0.01 0.00 94.25 1.30 33 Q E E 111.85 6.99 16.54 25.20 113.88 -113.10 -74.77 134.91 4.46 95.53 0.01 3.73 0.50 0.03 0.00 0.00 0.00 94.87 0.85 34 A C C 15.00 18.95 12.91 31.63 129.36 -167.32 -122.52 157.40 62.14 37.82 0.04 59.77 1.90 0.10 0.01 0.03 0.00 37.35 0.85 35 K C C 115.79 3.75 24.36 28.13 119.62 -112.52 -84.28 150.14 95.18 4.57 0.25 93.32 1.70 0.41 0.03 0.22 0.00 3.51 0.79 36 A C T 23.60 21.49 13.52 34.14 92.30 -107.75 -61.46 -27.74 98.06 0.46 1.48 0.87 5.24 91.00 0.01 2.50 0.00 0.32 0.07 37 S C T 70.27 5.53 21.70 27.82 96.17 53.80 -91.26 1.00 95.70 0.39 3.92 1.44 3.57 88.77 0.01 5.88 0.00 0.29 0.03 38 S C C 31.46 12.66 16.26 30.02 118.31 124.11 -72.89 149.66 97.46 2.45 0.09 89.19 8.33 0.13 0.00 0.11 0.00 2.01 0.24 39 D E B 90.71 5.46 23.40 29.73 112.62 -116.63 -84.38 127.60 14.70 85.28 0.02 14.86 0.28 0.01 0.03 0.00 0.00 30.77 54.05 40 V C C 5.07 26.08 11.38 37.68 125.16 -171.35 -115.55 142.05 55.72 44.27 0.01 59.77 0.30 0.01 0.01 0.00 0.00 31.03 8.87 41 K C C 117.33 3.06 24.76 27.67 125.59 -146.49 -107.97 151.59 99.14 0.85 0.00 99.14 0.27 0.01 0.00 0.00 0.00 0.45 0.12 42 P C T 72.84 11.75 14.82 27.07 109.87 -82.74 -59.10 136.03 99.62 0.28 0.10 0.16 1.92 97.69 0.00 0.07 0.00 0.14 0.03 43 G C T 44.28 3.91 19.96 24.65 96.59 26.16 89.33 -6.73 99.85 0.10 0.05 0.24 1.94 97.70 0.00 0.04 0.00 0.07 0.00 44 D C C 37.55 13.15 15.71 30.13 118.11 132.56 -72.19 147.71 96.69 3.30 0.01 95.41 1.51 0.02 0.00 0.01 0.00 2.95 0.10 45 E E E 88.70 8.70 23.41 32.48 116.52 -126.18 -93.15 132.33 2.41 97.59 0.00 2.48 0.05 0.00 0.00 0.00 0.00 97.23 0.23 46 L E E 4.19 25.11 16.45 42.10 130.06 -175.27 -127.14 149.97 0.22 99.78 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 47 T E E 27.64 10.97 26.08 38.37 119.40 -141.33 -109.76 131.07 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 48 V E E 3.99 24.89 18.01 43.56 122.54 -167.53 -118.39 132.81 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 49 R E E 83.81 9.40 23.85 33.70 115.78 -150.56 -104.78 123.61 2.82 97.17 0.01 2.24 0.23 0.03 0.00 0.01 0.00 97.45 0.04 50 F E E 28.26 19.30 14.87 33.76 110.91 176.73 -121.92 94.16 14.28 85.53 0.19 10.33 2.81 0.92 0.03 0.15 0.00 85.44 0.33 51 G C T 40.17 5.65 17.79 24.51 110.13 -59.02 63.48 -128.80 99.29 0.38 0.33 1.21 14.29 83.82 0.01 0.35 0.00 0.28 0.05 52 Q C T 141.88 2.62 16.28 19.29 96.67 -16.96 -93.59 0.05 99.47 0.26 0.27 1.22 14.93 83.33 0.01 0.29 0.00 0.19 0.03 53 K E E 96.25 7.18 16.27 24.98 122.62 89.16 -105.72 141.08 10.99 88.97 0.04 6.59 3.69 0.43 0.00 0.03 0.00 89.03 0.22 54 L E E 64.00 12.91 16.52 30.04 118.39 -149.09 -104.33 128.79 1.49 98.50 0.00 1.25 0.06 0.00 0.00 0.00 0.00 98.66 0.02 55 V E E 20.06 16.50 18.09 35.54 123.37 -168.42 -118.58 135.64 0.25 99.75 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 56 T E E 45.75 11.30 22.99 34.82 120.12 -156.96 -109.86 130.86 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 57 V E E 10.80 21.30 17.51 38.98 125.73 -172.61 -123.90 138.41 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 58 Q E E 77.50 7.67 25.34 33.47 116.78 -145.22 -99.01 129.33 0.39 99.60 0.01 0.35 0.01 0.00 0.00 0.00 0.00 99.62 0.01 59 V E E 9.53 23.21 12.54 35.98 115.09 -151.89 -100.74 124.95 8.93 90.07 0.99 8.33 0.46 0.21 0.42 0.29 0.00 90.08 0.23 60 N C E 91.97 4.46 21.86 26.49 102.55 -175.44 -92.31 -29.20 55.73 33.47 10.80 29.65 19.07 8.51 2.91 6.66 0.03 32.12 1.05 61 E C C 104.29 4.68 21.78 26.66 127.52 5.29 -136.19 141.83 61.21 23.78 15.01 39.43 14.35 8.72 4.82 9.60 0.03 21.47 1.59 62 L C C 45.84 20.10 10.99 29.50 113.38 -148.95 -95.51 125.26 64.84 14.01 21.14 53.14 6.81 5.52 9.73 11.04 0.01 11.58 2.17 63 K C C 107.95 6.28 16.97 24.22 119.09 -147.93 -104.98 142.70 76.24 6.52 17.24 54.82 11.67 9.57 9.03 8.52 0.01 4.50 1.88 64 D C C 103.35 5.09 14.38 20.90 101.85 -124.44 -80.75 2.59 81.88 3.81 14.31 43.32 22.97 16.21 6.38 7.62 0.01 2.32 1.16 65 T C C 92.26 4.44 14.58 19.75 103.55 60.21 -96.71 19.11 86.54 3.61 9.85 52.45 20.16 14.25 4.91 4.79 0.00 2.23 1.21 66 T C C 42.70 13.56 9.11 22.62 120.23 118.46 -96.59 147.15 92.87 3.37 3.76 61.45 28.99 2.38 3.24 0.84 0.00 1.48 1.62 67 K C C 118.15 2.39 17.01 19.04 115.83 -105.29 -73.83 153.44 92.54 1.81 5.64 83.65 7.02 1.33 5.80 0.54 0.00 0.77 0.89 68 K H H 127.44 6.99 11.65 20.32 92.40 -112.15 -57.81 -38.56 8.11 0.11 91.78 2.84 1.56 3.87 88.50 3.13 0.01 0.05 0.04 69 E H H 136.57 1.40 16.57 17.34 92.54 52.46 -65.60 -38.78 6.33 0.12 93.55 1.97 0.86 3.57 89.69 3.78 0.01 0.08 0.03 70 E H H 86.04 5.75 16.12 23.06 92.57 48.31 -67.61 -38.26 5.05 0.17 94.78 2.02 0.71 2.51 89.99 4.59 0.01 0.13 0.04 71 A H H 11.87 18.94 11.21 29.95 92.18 53.92 -64.49 -40.03 5.11 0.14 94.75 1.88 0.70 2.64 89.53 5.10 0.01 0.10 0.04 72 A H H 55.05 8.40 16.96 26.34 91.58 56.32 -66.04 -30.24 14.89 0.19 84.92 1.78 1.09 11.29 72.85 12.74 0.06 0.13 0.07 73 N H H 110.79 2.31 21.30 23.11 92.37 56.09 -75.07 -18.14 35.15 0.19 64.66 1.59 1.79 30.84 55.11 10.40 0.07 0.11 0.09 74 M C H 43.58 15.87 16.18 31.85 98.20 52.44 -89.33 -13.66 50.68 2.04 47.28 5.19 5.51 38.08 39.26 9.56 0.31 1.45 0.63 75 Y E E 32.50 21.31 13.18 33.83 127.27 68.96 -119.13 142.57 29.73 67.48 2.79 21.28 7.26 2.22 2.15 1.01 0.01 63.44 2.63 76 T E E 64.97 6.39 22.21 29.21 122.14 -163.49 -116.94 134.08 13.60 85.21 1.19 11.18 1.65 0.56 0.82 0.34 0.00 84.71 0.73 77 I E E 68.13 14.54 14.42 29.05 112.09 -130.96 -86.51 123.04 11.59 87.21 1.20 10.18 0.98 0.33 0.83 0.32 0.00 86.56 0.81 78 L E E 80.33 8.04 15.21 24.52 101.53 -172.07 -93.85 -29.30 29.83 67.06 3.11 24.06 3.63 1.51 1.44 1.32 0.00 67.45 0.60 79 K E E 120.27 3.42 17.81 22.20 134.57 -5.56 -146.88 151.78 36.33 60.80 2.87 28.33 5.94 1.90 1.07 1.43 0.00 60.62 0.72 80 E E E 109.16 10.02 11.56 22.43 119.53 -137.64 -101.32 136.79 48.21 48.40 3.39 38.79 7.07 2.08 1.13 1.98 0.00 47.93 1.00 81 E C C 97.73 6.84 12.50 21.01 120.62 -151.96 -102.63 141.27 56.25 41.67 2.08 47.49 6.21 1.84 0.66 1.31 0.00 41.23 1.27 82 K C C 140.38 3.43 12.35 17.75 113.96 -113.59 -80.17 137.31 58.34 39.41 2.26 50.81 4.55 2.19 0.97 1.40 0.00 35.12 4.97 83 L C C 96.97 8.02 8.12 17.14 107.49 -137.66 -83.72 110.48 88.90 8.72 2.38 57.80 15.89 15.04 0.51 1.90 0.00 7.72 1.14 84 G C C 58.14 1.68 10.93 13.54 112.19 -64.62 67.01 159.45 96.04 2.71 1.25 75.67 5.23 15.19 0.21 0.98 0.00 2.19 0.53 85 E C C 147.67 2.12 11.14 14.68 108.24 -70.09 -86.51 111.07 99.93 0.06 0.01 99.80 0.11 0.05 0.00 0.00 0.00 0.03 0.01