# 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 115.24 5.51 11.59 18.66 116.48 -160.80 -96.78 134.84 99.82 0.15 0.03 99.74 0.11 0.04 0.01 0.00 0.00 0.07 0.02 1 A C C 77.48 3.67 9.59 15.17 113.71 -127.15 -83.64 140.66 83.75 4.25 11.99 79.66 1.30 4.17 7.86 2.75 0.00 2.59 1.67 2 R C C 162.28 3.13 9.16 14.14 110.13 -142.39 -89.80 123.62 74.16 7.16 18.68 52.73 12.10 8.89 10.96 8.17 0.01 4.74 2.39 3 S C C 69.96 4.79 9.79 16.24 114.93 -148.48 -91.90 131.87 69.13 8.58 22.29 52.39 8.76 7.55 10.75 11.99 0.01 6.05 2.50 4 L C C 110.10 5.50 10.03 17.01 102.28 -144.93 -84.23 -4.72 64.54 7.93 27.53 36.15 14.71 14.47 12.31 14.76 0.06 5.19 2.33 5 K C C 139.59 3.46 11.83 16.95 106.44 77.84 -86.86 58.48 68.97 8.21 22.83 37.69 15.36 16.59 10.61 11.88 0.06 5.26 2.55 6 K C C 138.11 3.83 12.28 17.80 109.90 78.95 -91.29 117.83 77.17 6.41 16.42 42.09 24.29 11.15 9.98 6.24 0.05 3.40 2.79 7 G C C 31.83 8.03 12.77 22.00 128.62 -111.87 124.80 178.44 84.01 2.71 13.28 50.03 23.38 10.80 7.45 5.70 0.00 1.40 1.23 8 P C C 79.98 6.78 15.01 22.76 104.81 -50.96 -71.73 110.90 75.93 2.74 21.33 30.82 18.79 26.99 12.49 8.31 0.02 1.50 1.09 9 F C C 94.35 11.02 15.17 26.54 110.01 59.66 -94.63 102.50 57.11 16.57 26.32 28.79 11.38 17.92 17.16 8.87 0.34 11.14 4.40 10 V C C 48.94 13.38 14.73 28.72 115.90 161.73 -99.75 128.78 51.89 18.80 29.31 36.81 8.43 6.68 23.94 5.88 0.08 13.96 4.21 11 H C C 73.13 11.47 16.14 28.34 110.43 -147.41 -93.97 113.43 58.80 9.53 31.67 46.15 6.03 5.95 28.33 4.28 0.01 7.44 1.81 12 Y H H 111.77 9.21 16.52 26.42 98.58 -173.70 -78.74 -24.86 40.11 2.70 57.19 24.73 6.52 9.84 52.30 4.16 0.03 1.75 0.67 13 K H H 117.20 3.78 21.20 24.80 94.93 61.06 -69.32 -30.11 24.35 1.00 74.65 14.76 3.37 7.44 70.12 3.40 0.01 0.57 0.31 14 L H H 17.05 18.30 15.23 33.71 92.86 61.60 -65.47 -40.68 6.62 0.17 93.21 3.36 1.02 2.61 90.99 1.86 0.01 0.10 0.05 15 D H H 44.59 13.66 17.63 31.40 92.01 53.10 -63.75 -41.47 2.98 0.09 96.94 1.41 0.40 1.30 95.89 0.91 0.01 0.05 0.02 16 K H H 117.44 2.14 22.70 23.42 91.98 50.41 -64.92 -41.12 1.50 0.04 98.47 0.60 0.20 0.73 97.97 0.47 0.00 0.02 0.01 17 K H H 86.42 6.98 20.78 28.26 91.99 49.52 -65.51 -41.13 1.09 0.02 98.89 0.37 0.12 0.56 98.66 0.28 0.00 0.01 0.00 18 V H H 11.63 19.71 14.78 34.86 91.90 50.26 -64.24 -42.63 0.74 0.01 99.24 0.22 0.07 0.38 99.17 0.15 0.00 0.01 0.00 19 Q H H 85.59 5.67 20.27 26.54 91.64 50.59 -63.62 -41.58 0.60 0.01 99.39 0.16 0.05 0.31 99.35 0.12 0.00 0.00 0.00 20 E H H 101.48 1.88 20.58 20.85 91.81 49.98 -64.49 -41.67 0.79 0.01 99.20 0.15 0.07 0.48 99.15 0.15 0.00 0.00 0.00 21 N H H 30.84 9.77 13.56 25.54 92.02 50.15 -64.84 -40.48 1.53 0.02 98.45 0.33 0.14 0.93 98.31 0.27 0.00 0.01 0.00 22 V H H 60.82 10.63 12.47 23.87 92.68 50.10 -65.21 -40.86 2.62 0.02 97.36 0.48 0.23 1.74 96.99 0.54 0.01 0.01 0.01 23 E H H 151.71 1.00 14.79 15.17 91.87 51.21 -66.95 -31.33 8.61 0.04 91.35 0.65 0.60 6.98 91.12 0.60 0.02 0.01 0.02 24 S C T 78.32 1.73 12.79 14.71 93.88 50.33 -86.28 -3.78 63.97 0.11 35.92 1.62 3.43 56.22 37.51 1.10 0.01 0.03 0.08 25 G C T 60.90 1.56 12.56 15.08 94.97 -114.81 76.33 12.82 99.08 0.06 0.86 9.50 6.05 83.71 0.45 0.24 0.00 0.03 0.02 26 K C C 112.08 4.52 12.31 18.76 119.15 134.51 -97.04 142.65 98.79 0.66 0.54 81.90 14.63 2.18 0.15 0.42 0.00 0.29 0.42 27 N C C 108.07 5.51 15.31 22.37 108.64 -113.59 -83.20 117.20 98.51 1.12 0.37 84.40 11.22 2.87 0.06 0.39 0.00 0.83 0.23 28 S C C 36.41 12.14 15.78 28.68 121.62 128.02 -108.40 148.82 87.13 12.61 0.26 67.62 17.44 1.25 0.03 0.28 0.00 12.71 0.66 29 V E E 52.90 12.12 20.08 32.64 119.45 -122.77 -103.98 134.08 38.43 61.50 0.08 33.97 3.46 0.21 0.01 0.06 0.00 61.64 0.64 30 V E E 13.78 22.03 16.44 38.87 118.34 -155.87 -106.74 127.63 5.04 94.95 0.01 4.94 0.19 0.01 0.01 0.00 0.00 94.34 0.51 31 K E E 96.10 9.00 25.04 34.44 115.95 -149.20 -97.44 129.97 5.32 94.67 0.01 5.12 0.20 0.02 0.00 0.00 0.00 94.32 0.34 32 T E E 17.26 22.33 14.93 36.71 124.68 -167.06 -114.90 140.81 32.90 67.02 0.08 30.71 1.47 0.14 0.02 0.05 0.00 66.68 0.93 33 W C C 124.95 8.08 22.33 30.94 100.83 -167.34 -98.25 -9.80 74.20 25.53 0.28 39.83 33.13 1.85 0.05 0.26 0.00 23.60 1.29 34 S C C 31.02 13.00 18.56 32.13 126.52 55.48 -119.21 144.35 88.13 10.99 0.88 59.01 25.75 3.62 0.14 0.92 0.00 8.85 1.71 35 R C T 121.81 11.60 18.22 29.87 97.29 -151.34 -82.13 -15.64 89.33 5.11 5.56 13.50 32.15 43.78 0.38 5.54 0.00 3.77 0.88 36 A C T 63.91 6.25 22.25 28.84 99.35 57.71 -92.62 25.77 88.19 6.02 5.79 15.92 29.52 42.45 0.27 6.33 0.00 4.69 0.82 37 S C C 14.78 19.87 15.02 34.89 121.17 129.95 -78.98 147.10 80.63 14.14 5.23 64.75 12.34 2.91 0.35 5.29 0.00 13.47 0.89 38 M E E 82.70 8.29 25.74 34.80 119.69 -138.33 -105.08 133.32 20.19 79.63 0.18 17.59 1.74 0.17 0.11 0.11 0.00 67.83 12.43 39 I E E 10.46 25.00 15.32 40.79 116.79 -150.59 -100.18 126.87 21.06 78.92 0.02 20.44 0.66 0.02 0.02 0.01 0.00 63.84 15.01 40 T C C 38.26 9.73 22.23 32.68 120.22 -141.15 -88.44 148.55 99.10 0.89 0.00 99.11 0.27 0.01 0.00 0.00 0.00 0.55 0.05 41 P H G 66.72 11.74 16.48 28.90 90.33 -114.93 -59.30 -29.39 11.19 0.09 88.71 0.61 0.79 8.20 0.85 89.46 0.00 0.07 0.00 42 D H G 97.81 4.00 21.37 26.28 89.32 64.94 -67.97 -16.11 10.08 0.05 89.86 0.20 0.45 8.46 0.64 90.21 0.00 0.04 0.00 43 F H G 12.27 22.14 14.42 37.28 94.11 57.50 -92.61 -6.10 9.99 0.09 89.93 0.75 0.81 6.51 0.73 91.13 0.00 0.06 0.01 44 V C T 51.45 15.33 15.35 31.10 112.48 115.24 -62.19 132.09 98.17 0.87 0.96 0.44 1.06 97.31 0.11 0.37 0.00 0.27 0.44 45 G C T 45.43 3.91 22.03 26.76 94.08 22.30 85.57 -4.14 99.71 0.14 0.15 0.19 1.44 98.19 0.01 0.08 0.00 0.09 0.01 46 Q C C 45.21 15.27 17.18 32.78 122.83 123.05 -85.73 152.73 96.90 3.08 0.02 88.05 8.60 0.12 0.00 0.02 0.00 3.09 0.12 47 T E E 43.46 11.16 24.44 36.24 118.37 -128.95 -102.52 131.28 1.74 98.26 0.00 1.75 0.05 0.00 0.00 0.00 0.00 97.98 0.21 48 I E E 3.88 25.46 18.68 44.87 124.73 -169.36 -119.62 136.96 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 49 A E E 15.25 13.82 26.15 40.87 118.04 -145.83 -100.76 132.10 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 50 V E E 5.97 22.86 20.08 43.32 120.13 -163.24 -114.08 129.09 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 51 H E E 37.84 13.57 19.65 34.22 115.18 -156.50 -104.59 121.79 4.14 95.83 0.02 3.33 0.46 0.08 0.00 0.01 0.00 96.01 0.11 52 N E E 58.57 9.85 17.53 28.82 100.64 172.22 -108.49 18.55 35.94 63.62 0.45 25.54 7.12 3.28 0.05 0.44 0.00 62.92 0.65 53 G C T 40.92 7.28 15.43 23.27 98.58 -90.60 75.85 -11.63 99.15 0.35 0.50 1.15 29.42 68.56 0.01 0.58 0.00 0.23 0.06 54 R C T 174.76 1.74 15.91 17.71 103.16 34.29 -101.79 -19.34 99.27 0.35 0.38 1.16 32.71 65.42 0.01 0.42 0.00 0.24 0.05 55 Q E E 114.05 2.36 17.87 20.57 129.49 37.71 -130.09 149.16 21.29 78.67 0.04 15.26 5.68 0.34 0.01 0.04 0.00 78.20 0.47 56 F E E 87.86 15.63 11.89 27.05 117.16 -127.95 -94.71 132.75 3.29 96.71 0.00 3.01 0.11 0.00 0.00 0.00 0.00 96.81 0.07 57 V E E 46.13 9.88 18.83 30.30 119.55 -167.72 -121.48 125.12 0.77 99.23 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.26 0.01 58 P E E 70.73 9.29 20.12 29.85 114.65 -121.86 -70.13 139.14 0.72 99.28 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.30 0.00 59 V E E 15.51 20.85 15.69 36.46 127.40 -173.51 -128.65 140.74 0.47 99.53 0.00 0.46 0.00 0.00 0.00 0.00 0.00 99.53 0.01 60 Y E E 105.74 7.54 25.17 33.17 116.57 -136.06 -98.54 130.08 0.88 99.12 0.00 0.86 0.01 0.00 0.00 0.00 0.00 99.08 0.04 61 V E E 7.50 24.59 13.01 38.15 116.56 -151.14 -100.58 127.48 18.88 81.11 0.01 19.13 0.22 0.01 0.00 0.00 0.00 80.17 0.46 62 T C C 47.65 6.17 22.71 29.05 132.34 175.82 -125.79 168.51 87.22 12.64 0.14 85.56 1.93 0.13 0.03 0.09 0.00 11.65 0.61 63 E H G 116.83 8.78 15.06 24.90 91.40 -98.07 -60.35 -30.17 22.49 0.36 77.15 0.97 2.35 17.34 1.36 77.69 0.00 0.24 0.05 64 N H G 123.26 1.57 19.27 20.27 90.48 61.50 -73.55 -13.13 23.66 0.25 76.09 0.88 1.81 18.48 1.33 77.29 0.00 0.18 0.03 65 M H G 30.28 18.13 12.85 31.07 95.94 58.01 -94.52 -3.33 23.34 1.35 75.31 7.52 4.26 10.47 1.93 74.67 0.00 0.89 0.24 66 V C T 56.17 14.66 13.70 28.74 112.73 115.08 -63.55 134.37 93.43 4.10 2.47 5.27 5.39 83.18 0.82 1.37 0.01 2.22 1.74 67 G C T 45.38 4.86 20.46 26.25 94.59 21.31 84.13 -4.44 97.07 1.25 1.67 3.77 7.01 86.35 0.41 1.22 0.00 0.96 0.27 68 H C C 67.39 12.12 16.21 28.93 122.33 127.38 -85.40 154.06 91.10 4.63 4.27 74.86 13.17 2.82 2.41 1.84 0.00 2.21 2.69 69 K C C 92.92 8.53 21.31 30.02 117.29 -113.60 -80.93 147.04 55.24 30.61 14.16 35.64 9.46 6.98 6.74 6.35 0.07 7.79 26.97 70 L H G 41.25 19.87 14.49 33.57 100.60 -100.08 -63.51 -16.38 39.84 2.30 57.86 5.59 6.73 27.71 9.95 47.45 0.11 1.44 1.02 71 G H G 35.47 10.06 18.74 28.88 95.20 38.07 69.42 -10.20 36.15 1.13 62.72 5.32 5.31 25.32 10.47 52.36 0.04 0.66 0.51 72 E H G 105.05 6.43 18.95 26.10 93.91 84.57 -77.22 -18.82 39.33 1.92 58.75 10.70 9.32 20.40 10.10 47.50 0.05 1.10 0.83 73 F C C 82.05 12.52 14.54 27.34 102.15 46.04 -99.38 -0.62 62.74 8.28 28.99 23.53 20.39 20.33 9.33 17.44 0.29 3.39 5.30 74 S C C 40.65 12.52 12.71 25.79 120.83 84.46 -101.05 140.48 92.22 5.87 1.91 58.86 31.18 2.38 0.91 0.98 0.00 3.08 2.61 75 P C C 85.11 5.84 15.04 22.06 109.75 -109.94 -69.59 143.96 88.40 5.78 5.82 60.46 16.80 11.01 1.81 4.14 0.00 3.57 2.21 76 T C C 80.10 8.05 11.32 20.53 116.40 -131.71 -95.22 138.15 84.11 10.05 5.84 59.85 14.15 9.48 1.94 4.07 0.01 5.83 4.66 77 R C C 148.09 5.37 11.96 18.96 116.07 -159.20 -100.15 127.48 82.20 11.97 5.82 56.10 19.59 6.30 2.52 3.38 0.01 7.64 4.47 78 S C C 73.84 4.17 11.78 17.67 117.12 -148.65 -100.80 134.24 81.66 12.38 5.96 58.40 16.87 6.20 2.71 3.29 0.00 8.56 3.97 79 F C C 131.17 5.99 9.27 16.88 113.14 -148.44 -91.63 125.06 78.92 12.54 8.53 55.00 15.37 8.02 4.42 4.20 0.01 7.93 5.05 80 R C C 169.87 2.22 10.53 14.17 109.39 -136.54 -91.85 115.06 78.73 8.28 13.00 38.64 18.65 22.50 5.77 6.52 0.03 5.09 2.80 81 G C C 53.69 2.52 11.57 15.23 107.07 8.32 83.69 -42.61 79.50 5.35 15.15 32.79 22.63 25.38 6.14 8.03 0.03 2.87 2.13 82 H C C 120.40 5.08 9.75 16.24 107.54 41.05 -90.30 63.00 74.11 6.01 19.88 44.20 15.86 14.16 9.59 10.00 0.02 3.02 3.14 83 A C T 72.10 4.32 10.62 16.41 106.04 81.75 -81.08 73.89 71.75 2.88 25.37 26.76 15.28 30.38 11.41 13.06 0.04 1.48 1.58 84 G C T 46.67 4.00 11.79 17.22 106.55 25.20 32.75 -9.96 72.14 2.05 25.80 25.86 17.51 29.76 11.04 13.57 0.04 0.92 1.29 85 A C C 68.52 4.80 10.43 16.70 106.84 69.12 -84.20 100.03 69.14 2.69 28.17 41.99 14.87 12.24 13.99 14.09 0.02 1.25 1.55 86 K C C 135.05 3.39 10.79 15.73 108.08 78.83 -83.81 116.90 71.32 3.10 25.58 40.35 16.56 14.77 13.14 11.98 0.02 1.45 1.72 87 N C C 105.62 3.94 9.33 14.87 105.92 -108.92 -84.47 91.19 76.15 2.77 21.08 47.28 12.93 15.91 9.15 11.81 0.01 1.36 1.55 88 K C T 142.16 3.24 8.67 13.56 103.32 75.63 -82.61 11.56 79.85 2.34 17.81 26.48 15.91 38.55 6.35 10.26 0.02 1.10 1.33 89 G C T 55.36 2.41 9.33 13.18 106.36 15.43 41.11 7.95 86.37 2.15 11.48 27.30 18.16 41.74 2.95 7.77 0.01 1.08 1.00 90 K C C 148.80 2.23 8.02 11.98 108.22 116.72 -86.36 105.26 90.77 3.14 6.09 78.02 4.72 8.32 2.00 3.51 0.00 1.56 1.86 91 K C C 151.57 2.30 10.41 14.32 109.40 -135.15 -85.52 105.97 99.76 0.20 0.04 99.48 0.23 0.12 0.02 0.01 0.00 0.09 0.04