# 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 116.21 5.41 11.86 18.91 115.91 -152.11 -95.30 133.51 99.72 0.23 0.04 99.63 0.13 0.06 0.02 0.00 0.00 0.12 0.03 1 A C C 65.71 5.88 9.29 16.81 113.12 -129.34 -85.11 138.52 90.13 3.42 6.45 86.49 1.13 3.70 3.44 1.85 0.00 1.98 1.41 2 K C C 159.09 1.84 10.58 13.81 110.06 -122.90 -80.77 126.72 82.10 4.56 13.34 43.72 14.58 24.50 5.21 7.56 0.01 2.55 1.86 3 G C C 54.45 2.88 10.97 14.96 106.02 18.12 80.17 -0.25 82.67 3.07 14.26 37.81 18.70 26.95 4.99 8.66 0.01 1.58 1.31 4 Q C C 120.97 3.81 11.08 16.46 103.91 94.84 -86.46 11.12 78.68 3.66 17.65 43.41 22.15 13.57 8.69 8.51 0.01 1.71 1.94 5 S C C 57.99 5.10 12.48 19.01 116.49 83.85 -91.16 147.29 77.87 4.59 17.54 46.15 21.63 10.13 12.06 5.44 0.02 1.89 2.69 6 L C H 93.33 6.95 13.97 22.06 94.54 -109.74 -65.60 -31.76 60.80 1.06 38.14 13.45 17.37 30.45 32.76 4.78 0.09 0.44 0.66 7 Q H H 69.37 12.18 15.14 27.47 93.31 57.70 -67.26 -36.29 39.73 0.46 59.80 9.66 9.17 22.06 55.28 3.27 0.07 0.18 0.30 8 D H H 63.38 7.55 17.02 25.65 92.86 56.59 -64.89 -40.22 11.27 0.11 88.62 6.27 2.41 2.96 87.08 1.18 0.00 0.04 0.04 9 P H H 65.41 4.45 19.54 24.47 92.12 51.29 -64.54 -40.48 3.98 0.05 95.97 1.83 0.49 1.69 95.14 0.79 0.00 0.02 0.02 10 F H H 54.64 13.65 18.84 32.60 92.11 49.91 -64.93 -42.36 1.50 0.02 98.48 0.50 0.17 0.78 97.96 0.57 0.00 0.01 0.00 11 L H H 27.51 17.00 17.97 35.00 91.72 49.96 -63.71 -42.54 0.74 0.01 99.25 0.22 0.07 0.37 99.13 0.19 0.00 0.00 0.00 12 N H H 74.24 4.31 22.40 26.75 91.47 50.52 -63.52 -41.18 0.92 0.01 99.07 0.25 0.08 0.50 99.01 0.14 0.00 0.00 0.00 13 A H H 28.03 6.64 19.54 28.02 91.26 51.15 -63.57 -41.98 0.76 0.01 99.23 0.14 0.06 0.48 99.16 0.15 0.00 0.00 0.00 14 L H H 16.27 18.24 14.78 33.42 92.05 50.32 -64.42 -42.05 0.65 0.01 99.35 0.12 0.05 0.40 99.20 0.23 0.00 0.00 0.00 15 R H H 108.81 10.05 17.01 27.50 91.87 50.17 -64.55 -40.68 1.06 0.00 98.94 0.12 0.06 0.76 98.63 0.43 0.00 0.00 0.00 16 R H H 167.61 1.42 18.29 18.92 92.30 48.58 -67.51 -36.04 4.63 0.01 95.36 0.18 0.20 4.02 94.99 0.59 0.00 0.00 0.00 17 E H H 100.79 5.44 15.67 22.20 95.26 41.44 -90.36 -4.24 38.86 0.09 61.05 1.30 2.27 33.71 61.82 0.79 0.02 0.02 0.07 18 R C T 154.74 5.21 16.97 23.81 94.24 -124.81 58.49 41.54 96.87 0.29 2.84 11.56 3.29 82.00 2.56 0.34 0.00 0.13 0.13 19 V C C 28.44 15.06 14.33 30.50 117.26 162.78 -99.61 131.97 95.22 4.77 0.02 86.78 8.36 0.10 0.00 0.01 0.00 4.49 0.24 20 P C C 58.84 7.68 23.37 31.58 113.12 -114.85 -69.06 140.12 71.50 28.49 0.01 70.37 0.69 0.03 0.00 0.00 0.00 28.67 0.22 21 V E E 5.92 24.73 14.90 40.09 131.68 -175.98 -133.74 148.30 2.00 98.00 0.00 1.96 0.05 0.00 0.00 0.00 0.00 97.90 0.09 22 S E E 23.55 10.25 25.65 37.12 120.89 -149.31 -111.70 134.79 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 23 I E E 6.43 23.96 18.16 42.63 120.84 -162.04 -116.26 129.07 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 24 Y E E 63.63 9.16 22.97 33.32 115.70 -156.49 -107.74 122.62 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.84 0.01 25 L E E 19.19 16.84 14.01 31.58 122.16 -150.01 -87.52 160.87 16.57 83.40 0.03 16.15 0.46 0.05 0.00 0.02 0.00 82.90 0.42 26 V C T 83.72 9.37 14.57 24.91 91.53 -107.06 -63.01 -24.96 95.41 2.80 1.79 0.72 3.48 91.85 0.04 1.65 0.00 2.06 0.19 27 N C T 107.36 2.90 15.64 19.10 92.83 57.37 -86.65 1.78 98.01 0.27 1.73 0.37 2.81 94.80 0.04 1.80 0.00 0.14 0.04 28 G C S 45.96 4.07 14.90 20.12 97.83 -100.26 89.58 5.26 97.67 0.68 1.66 11.02 78.47 8.08 0.10 1.70 0.00 0.40 0.23 29 I C C 65.90 8.58 13.79 24.31 116.14 136.75 -79.67 137.64 89.56 10.41 0.03 89.44 0.80 0.07 0.01 0.01 0.00 9.27 0.40 30 K E E 106.77 8.63 17.99 27.87 120.35 -152.09 -109.85 132.38 1.74 98.26 0.01 1.74 0.07 0.00 0.00 0.00 0.00 97.85 0.32 31 L E E 18.58 19.79 16.04 36.04 126.26 -171.94 -123.16 139.90 0.43 99.56 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.52 0.02 32 Q E E 87.66 8.50 23.89 32.83 122.60 -154.43 -110.07 136.88 2.11 97.88 0.01 1.89 0.14 0.02 0.00 0.01 0.00 97.89 0.05 33 G E E 8.29 14.30 20.80 36.22 144.20 119.56 -176.56 -175.89 9.00 90.97 0.03 7.23 1.35 0.09 0.00 0.02 0.00 91.23 0.08 34 Q E E 66.28 8.42 25.31 34.77 124.33 -74.81 -115.32 142.28 6.10 93.87 0.03 5.71 0.37 0.03 0.01 0.02 0.00 93.49 0.38 35 I E E 12.29 23.49 14.30 38.41 109.49 -114.07 -74.04 125.61 8.00 91.94 0.06 7.94 0.22 0.03 0.02 0.02 0.00 91.54 0.24 36 E E E 88.77 6.34 22.08 29.23 100.43 175.68 -96.51 -32.26 7.78 92.17 0.05 4.44 2.75 0.19 0.01 0.03 0.00 92.53 0.05 37 S E E 46.37 5.18 23.67 29.66 142.07 -2.50 -159.10 156.24 1.94 98.03 0.03 1.45 0.29 0.06 0.00 0.01 0.00 98.14 0.04 38 F E E 69.27 19.99 11.66 30.14 132.46 -170.58 -143.86 142.61 5.64 94.30 0.05 4.77 0.69 0.11 0.02 0.03 0.00 93.47 0.92 39 D C C 64.11 3.50 21.38 24.50 133.06 169.99 -129.95 -173.98 84.01 15.91 0.08 77.23 4.82 0.47 0.02 0.06 0.00 16.90 0.50 40 Q C S 123.33 5.53 16.46 23.26 92.23 -81.52 -64.31 -26.02 99.49 0.38 0.13 1.92 78.03 19.63 0.01 0.10 0.00 0.25 0.06 41 F C S 98.05 9.82 16.11 26.45 104.18 24.15 -112.60 -5.95 98.22 1.67 0.11 2.27 72.72 23.33 0.00 0.09 0.00 1.48 0.10 42 V E E 32.97 12.68 18.87 32.66 134.64 44.75 -139.28 149.00 11.42 88.57 0.01 9.70 1.06 0.04 0.00 0.01 0.00 88.93 0.26 43 I E E 9.91 20.77 17.65 39.22 121.04 -158.36 -115.95 130.62 0.40 99.60 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.58 0.02 44 L E E 32.55 10.35 23.61 35.56 119.83 -160.19 -110.62 130.19 0.14 99.86 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.01 45 L E E 16.65 18.52 15.60 34.90 121.39 -165.40 -111.48 132.67 1.50 98.50 0.00 1.31 0.06 0.00 0.00 0.00 0.00 98.58 0.04 46 K E E 100.12 6.97 17.98 25.98 115.84 -152.46 -102.94 128.28 26.37 73.51 0.12 20.41 4.34 0.74 0.02 0.09 0.00 74.12 0.28 47 N C C 71.57 8.77 11.95 21.79 128.07 154.71 -126.41 163.28 83.89 15.59 0.52 56.54 19.73 5.39 0.09 0.44 0.00 17.29 0.51 48 T C C 111.04 1.79 13.88 15.75 99.54 -62.67 -81.73 -16.70 94.73 4.64 0.63 68.00 19.34 6.95 0.16 0.45 0.00 4.69 0.40 49 V C C 92.17 3.08 12.31 16.74 123.99 36.73 -116.65 145.58 82.33 17.00 0.67 63.14 12.36 4.42 0.17 0.47 0.00 18.86 0.58 50 S E E 64.40 8.22 11.68 21.29 119.00 -126.77 -95.08 134.75 45.65 53.87 0.49 39.42 3.17 0.81 0.15 0.27 0.00 55.74 0.44 51 Q E E 68.96 10.08 15.44 26.80 128.30 -174.21 -129.79 144.57 13.29 86.29 0.43 11.86 0.88 0.19 0.25 0.15 0.00 86.40 0.27 52 M E E 93.30 8.80 18.87 28.52 116.41 -132.53 -96.61 130.32 3.00 96.61 0.39 2.79 0.18 0.06 0.25 0.09 0.00 96.46 0.16 53 V E E 20.52 18.57 14.80 33.76 124.72 -169.20 -119.70 139.20 2.65 96.95 0.40 2.52 0.15 0.05 0.29 0.10 0.00 96.61 0.28 54 Y E E 94.24 7.11 21.18 28.86 113.89 -120.18 -78.84 137.52 16.72 82.08 1.20 15.81 0.79 0.25 0.73 0.46 0.00 81.21 0.75 55 K H G 82.85 15.54 14.12 29.22 92.27 -127.27 -61.26 -32.79 14.69 4.34 80.98 3.87 2.74 8.55 5.43 75.07 0.03 4.16 0.16 56 H H G 135.31 2.76 20.52 23.64 90.95 63.66 -69.20 -18.52 14.52 4.12 81.36 2.26 2.41 10.70 5.74 75.04 0.06 3.57 0.23 57 A H G 28.28 13.28 15.95 30.16 94.06 59.07 -85.97 -11.22 14.50 5.07 80.43 3.55 2.97 9.15 5.22 74.10 0.02 4.78 0.21 58 I E E 21.01 22.93 10.72 32.64 116.92 90.25 -91.10 131.24 20.52 72.07 7.41 16.88 3.74 1.75 3.40 3.59 0.04 68.79 1.81 59 S E E 69.56 4.12 19.98 24.69 100.09 152.08 -91.84 -31.68 24.65 73.10 2.24 10.91 12.16 3.12 0.43 1.32 0.01 71.65 0.40 60 T E E 65.97 5.01 22.16 27.82 134.80 4.91 -146.36 150.60 6.00 92.65 1.36 3.81 1.42 1.04 0.25 0.75 0.00 92.60 0.14 61 V E E 44.58 19.73 13.23 32.26 120.15 -150.22 -113.01 126.99 3.33 96.52 0.16 2.95 0.35 0.08 0.07 0.06 0.00 96.16 0.33 62 V E E 63.00 7.43 20.44 28.83 121.76 -171.83 -123.72 128.23 8.61 91.35 0.03 7.81 0.49 0.04 0.01 0.02 0.00 91.35 0.29 63 P E E 62.29 11.05 15.43 27.15 114.60 -114.88 -65.85 147.49 26.43 73.39 0.18 22.64 3.14 0.47 0.05 0.14 0.00 72.75 0.80 64 S C C 60.03 10.78 13.08 24.33 101.94 -123.07 -81.80 0.87 88.92 10.70 0.38 50.07 37.14 2.07 0.06 0.35 0.00 9.40 0.91 65 R C S 153.87 2.60 16.05 19.50 122.68 30.26 -113.06 140.33 90.48 9.25 0.27 42.09 48.06 1.14 0.06 0.20 0.00 7.22 1.22 66 P C C 89.14 6.20 12.52 20.49 113.92 -104.21 -64.94 145.02 88.49 10.68 0.83 83.15 4.26 1.30 0.24 0.56 0.00 7.95 2.55 67 V C C 76.57 9.96 10.02 20.84 114.61 -138.72 -96.71 132.17 87.24 9.67 3.09 70.68 11.75 4.24 1.03 2.18 0.00 5.52 4.59 68 S C C 76.63 3.83 13.29 18.67 116.83 -151.97 -103.15 131.63 86.30 8.55 5.15 63.47 15.57 7.18 1.59 3.70 0.00 5.36 3.12 69 H C C 123.51 6.10 10.98 18.53 106.37 -169.14 -98.63 39.83 81.83 6.80 11.38 50.78 19.10 12.25 3.63 7.69 0.01 4.02 2.53 70 H C C 117.15 5.65 11.12 18.37 113.43 137.32 -96.87 125.75 79.22 5.56 15.22 48.37 15.92 15.11 4.75 10.40 0.01 3.11 2.32 71 S C C 66.63 5.70 11.33 18.55 115.44 -155.73 -97.30 136.92 76.23 4.58 19.19 43.32 15.36 17.85 5.02 14.01 0.01 2.47 1.97 72 N C C 110.32 4.47 11.80 17.86 101.69 -143.92 -85.37 8.74 76.75 4.07 19.18 33.20 20.74 23.83 4.83 13.45 0.02 2.04 1.90 73 N C C 104.73 4.38 11.94 17.82 103.79 95.31 -89.71 31.83 79.33 5.98 14.68 41.58 21.44 16.90 3.99 10.20 0.02 2.92 2.94 74 A C C 68.13 5.95 10.98 18.36 102.88 113.69 -81.41 14.81 84.72 5.97 9.31 43.69 18.65 23.02 2.57 6.32 0.01 3.08 2.66 75 G C C 50.71 4.14 12.62 18.18 104.49 -31.09 77.88 3.78 90.10 4.32 5.59 42.28 22.41 25.84 1.28 4.12 0.00 2.20 1.85 76 G C C 47.18 5.02 12.43 18.87 111.01 -88.37 93.06 61.50 90.10 4.55 5.35 45.73 23.94 20.66 1.20 4.14 0.00 2.28 2.04 77 G C C 45.16 4.85 12.34 18.72 116.55 -42.93 104.57 -175.12 86.05 6.71 7.24 41.78 26.08 18.82 2.14 4.91 0.01 3.55 2.72 78 T C C 93.12 4.20 12.49 17.99 109.17 -67.56 -88.11 114.74 78.61 8.45 12.94 43.14 21.22 14.69 5.32 7.33 0.04 4.35 3.93 79 S C C 71.91 5.49 11.59 18.39 104.51 -113.92 -84.73 19.58 61.48 5.46 33.07 34.70 13.57 14.12 12.40 19.97 0.04 3.15 2.04 80 S C G 74.76 4.44 12.22 17.98 101.50 91.93 -82.45 -2.64 52.14 4.47 43.39 22.13 11.98 19.60 16.35 25.64 0.10 2.57 1.64 81 N C G 100.24 4.92 12.73 18.93 104.31 70.71 -90.89 31.89 50.65 5.73 43.61 23.14 11.53 17.50 16.91 25.46 0.13 3.43 1.90 82 Y C C 120.39 7.69 10.74 19.73 111.04 123.95 -93.62 115.83 59.12 9.03 31.85 34.47 13.17 11.89 16.62 14.99 0.10 5.43 3.33 83 H C C 119.16 5.25 11.42 18.22 110.74 -153.50 -95.66 112.66 69.25 10.72 20.02 44.72 11.77 12.44 12.89 7.33 0.06 6.38 4.41 84 H C C 136.58 3.77 11.33 16.79 110.38 -147.62 -88.09 116.74 78.45 6.46 15.08 36.28 16.76 26.45 8.48 5.92 0.03 3.72 2.36 85 G C C 51.69 3.32 12.01 16.70 110.24 11.68 87.87 -5.78 85.51 3.05 11.45 36.32 21.60 28.57 5.25 5.43 0.01 1.54 1.29 86 S C C 70.01 4.97 10.73 17.26 112.13 118.17 -90.13 136.00 74.67 4.53 20.79 44.71 17.03 13.07 11.68 9.02 0.02 2.32 2.14 87 S C C 75.74 4.12 10.74 16.49 110.28 -134.10 -87.11 120.20 66.93 5.16 27.91 38.81 14.20 14.26 16.05 11.62 0.04 2.83 2.20 88 A C C 75.15 3.85 10.53 16.03 108.05 -146.73 -83.23 105.62 62.18 5.00 32.81 37.38 12.15 13.09 20.60 11.90 0.05 2.89 1.95 89 Q C C 122.45 3.50 10.59 15.74 109.69 -119.22 -87.43 116.27 60.92 4.42 34.66 33.97 13.45 14.35 24.59 9.38 0.06 2.42 1.80 90 N C C 104.84 4.23 10.14 16.04 110.68 -134.37 -91.96 120.63 65.10 3.44 31.45 37.56 14.55 13.67 24.14 6.83 0.03 1.82 1.41 91 T C C 97.47 3.14 10.36 15.10 107.68 -155.02 -89.76 69.93 59.84 4.13 36.03 36.16 13.63 11.03 29.06 6.31 0.04 2.29 1.49 92 S C C 75.82 3.34 10.41 15.33 111.81 -121.08 -90.77 124.69 56.05 4.69 39.27 35.40 11.87 9.95 32.01 6.39 0.05 2.74 1.59 93 A C C 76.92 3.77 9.40 14.87 110.71 -113.22 -80.62 124.52 54.03 4.81 41.16 35.87 10.11 9.12 33.74 6.64 0.04 3.00 1.49 94 Q C C 128.78 2.78 9.77 14.18 112.78 -137.41 -90.32 128.03 55.24 5.44 39.32 38.36 8.67 9.00 32.36 6.41 0.03 3.48 1.69 95 Q C C 125.52 3.08 9.29 14.12 113.19 -136.09 -89.43 130.41 55.29 5.04 39.67 34.22 10.05 12.03 32.08 6.83 0.05 3.07 1.66 96 D C C 102.32 3.40 9.31 14.43 111.71 -140.13 -89.05 126.42 61.71 3.55 34.74 36.53 10.42 15.34 27.95 6.37 0.03 2.02 1.34 97 S C C 76.03 3.59 8.54 13.88 111.73 -137.27 -88.99 127.23 63.47 3.44 33.08 38.54 12.01 13.67 25.21 7.27 0.02 1.88 1.39 98 E C C 141.11 2.18 8.48 12.15 108.81 -141.99 -88.07 102.15 61.33 4.19 34.48 31.01 14.08 17.98 23.52 9.41 0.07 2.31 1.63 99 E C C 141.96 2.12 7.75 11.42 108.02 93.56 -87.01 87.58 65.01 5.62 29.37 33.87 13.81 18.56 19.17 9.20 0.07 3.40 1.92 100 T C C 104.01 2.24 7.25 11.12 108.82 107.30 -91.38 97.64 75.91 4.55 19.54 60.19 2.71 13.58 13.64 5.03 0.00 3.00 1.84 101 E C C 139.12 2.59 9.87 14.12 110.21 -143.42 -88.68 114.92 99.76 0.18 0.06 99.64 0.12 0.09 0.03 0.00 0.00 0.10 0.02