# 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 110.91 6.06 12.39 19.85 116.89 -158.82 -99.34 133.46 99.86 0.12 0.01 99.86 0.05 0.01 0.01 0.00 0.00 0.05 0.01 1 V C C 97.52 4.67 10.74 17.08 114.89 -135.49 -89.59 133.06 76.43 8.65 14.92 72.87 1.14 2.91 13.17 1.79 0.00 4.89 3.23 2 L C C 96.35 6.35 9.36 17.22 110.17 -142.17 -86.91 123.82 70.10 5.55 24.34 56.76 7.25 5.13 22.38 3.42 0.01 3.39 1.65 3 V C C 80.93 6.44 10.60 18.42 109.01 100.88 -88.27 112.96 51.77 5.54 42.69 42.79 5.31 4.78 36.44 5.57 0.01 3.61 1.48 4 Q H H 108.28 4.63 12.16 18.12 101.90 77.06 -77.00 -22.94 22.46 3.03 74.52 12.79 4.35 6.80 57.08 15.86 0.07 2.47 0.59 5 D H H 87.68 5.12 12.15 18.62 98.73 57.99 -76.43 -14.25 20.21 1.82 77.97 9.79 3.26 7.49 58.18 19.39 0.07 1.44 0.39 6 L H H 89.56 7.40 11.66 20.11 97.02 67.56 -75.20 -20.47 23.89 1.15 74.96 7.13 4.09 12.65 57.05 17.78 0.16 0.75 0.39 7 L H H 95.70 6.03 13.13 20.26 99.18 53.74 -87.13 -13.62 41.02 1.74 57.24 8.53 11.97 23.42 46.21 7.56 0.49 0.75 1.08 8 H C S 117.08 4.67 12.98 19.15 111.52 46.21 -110.97 99.25 98.57 1.10 0.33 29.32 68.76 0.73 0.23 0.08 0.00 0.37 0.51 9 P C C 53.96 9.76 9.40 20.53 117.03 -144.95 -71.96 151.79 97.92 1.42 0.65 90.32 6.79 0.81 0.45 0.17 0.00 0.56 0.91 10 T C C 79.57 2.22 15.15 17.34 117.64 -106.58 -73.22 159.08 97.75 0.89 1.35 95.12 2.18 0.45 1.20 0.14 0.00 0.25 0.66 11 A H H 72.42 4.33 11.25 17.26 92.55 -105.54 -58.19 -39.37 5.49 0.06 94.44 2.26 1.09 2.30 93.13 1.17 0.00 0.02 0.02 12 A H H 73.38 1.64 13.84 15.39 92.05 52.11 -64.65 -40.29 3.89 0.11 96.00 1.50 0.56 2.04 94.30 1.49 0.01 0.07 0.02 13 S H H 54.00 2.71 13.94 17.45 92.45 49.20 -65.69 -40.04 2.78 0.16 97.06 1.37 0.41 1.28 95.05 1.71 0.01 0.14 0.02 14 E H H 71.12 5.98 12.39 20.43 92.51 50.71 -65.32 -40.51 2.08 0.11 97.81 0.96 0.32 0.95 96.82 0.85 0.01 0.07 0.02 15 A H H 51.43 4.56 13.74 19.82 91.86 51.44 -64.47 -40.37 3.65 0.12 96.23 1.27 0.39 1.96 95.43 0.84 0.01 0.07 0.02 16 R H H 146.59 2.04 15.81 17.96 92.36 50.15 -66.35 -39.02 7.83 0.10 92.07 1.35 0.67 5.42 91.47 0.99 0.01 0.05 0.03 17 K H H 118.14 3.77 15.65 20.40 92.95 50.67 -68.46 -36.65 19.24 0.22 80.55 3.29 2.09 13.49 79.68 1.25 0.02 0.09 0.09 18 H H H 81.85 8.32 13.71 23.29 95.81 51.87 -79.55 -22.62 48.99 1.27 49.74 19.35 7.31 21.69 48.32 2.20 0.03 0.57 0.54 19 K C H 112.09 5.21 17.12 23.23 96.60 92.30 -66.51 -31.43 52.06 3.91 44.03 32.22 6.52 13.31 39.32 4.97 0.04 2.23 1.39 20 L H H 67.62 11.59 14.61 26.53 96.16 66.14 -69.57 -35.51 33.09 3.38 63.53 17.90 5.68 9.82 47.47 15.92 0.06 2.29 0.86 21 K H H 107.97 7.89 16.55 25.20 95.81 61.21 -69.17 -30.46 30.34 3.49 66.16 14.68 5.03 10.43 47.09 19.39 0.08 2.51 0.80 22 T H H 71.28 6.49 17.85 24.90 97.15 55.68 -76.52 -26.66 34.15 4.32 61.53 13.88 6.24 13.78 42.84 18.96 0.16 3.12 1.02 23 L H H 57.55 12.51 15.84 28.53 97.95 58.26 -80.53 -25.82 45.94 6.77 47.29 16.58 13.40 18.25 34.21 10.62 0.47 4.24 2.23 24 V C C 41.12 15.15 12.12 27.28 114.02 68.66 -98.79 119.57 71.32 6.85 21.83 39.64 21.84 10.38 18.25 3.38 0.07 3.35 3.08 25 Q C C 125.42 3.48 16.70 21.06 97.78 -158.36 -78.92 -18.73 91.02 2.62 6.37 55.21 24.36 11.42 4.24 2.20 0.00 1.43 1.13 26 S C C 48.65 6.44 13.70 21.88 122.96 51.09 -120.89 139.98 96.63 2.18 1.19 46.89 46.60 3.01 0.48 0.61 0.00 0.78 1.64 27 P C T 91.48 6.19 13.39 21.00 95.80 -118.63 -65.15 -16.90 95.79 0.39 3.82 6.44 10.77 78.16 0.37 3.83 0.00 0.22 0.20 28 R C T 156.50 3.85 16.33 21.17 96.64 56.81 -86.95 6.92 95.84 0.96 3.20 7.97 10.16 77.30 0.32 3.29 0.00 0.67 0.29 29 S C C 30.77 14.51 12.67 27.68 117.28 116.39 -86.75 138.76 83.92 12.12 3.96 62.61 15.01 5.80 0.65 3.93 0.00 9.24 2.75 30 H C C 83.71 10.54 19.18 29.91 119.52 -172.64 -111.36 134.18 73.70 25.13 1.17 47.74 21.90 4.13 0.24 1.05 0.00 23.06 1.88 31 F E E 67.46 15.98 16.83 32.23 119.89 -131.56 -105.60 133.31 26.72 72.85 0.42 21.97 3.86 0.81 0.10 0.34 0.00 71.49 1.42 32 L E E 50.12 13.32 18.56 32.20 122.10 -167.94 -115.86 142.12 10.24 89.65 0.11 8.23 1.85 0.22 0.02 0.09 0.00 89.21 0.37 33 D E E 82.55 8.42 21.16 29.69 108.91 -113.11 -88.37 109.08 4.56 95.37 0.07 3.78 0.62 0.12 0.01 0.06 0.00 95.30 0.11 34 V E E 25.69 18.22 14.95 33.29 124.26 -176.12 -120.17 135.62 5.45 94.51 0.04 5.08 0.23 0.03 0.01 0.02 0.00 94.37 0.27 35 K E E 125.19 4.77 21.99 27.79 116.63 -146.00 -100.87 129.41 15.80 84.16 0.05 14.10 1.13 0.12 0.01 0.03 0.00 82.93 1.68 36 C C C 13.99 21.00 10.79 31.18 116.08 -148.22 -94.96 130.66 91.96 8.00 0.04 89.30 2.52 0.16 0.01 0.03 0.00 7.52 0.46 37 P C T 90.79 4.03 18.61 23.27 108.65 -101.28 -60.40 135.14 98.14 0.95 0.90 0.86 6.22 91.05 0.03 1.01 0.00 0.71 0.13 38 G C T 53.82 2.99 17.30 20.81 94.96 17.37 85.75 -2.30 98.64 0.71 0.65 0.63 6.36 91.63 0.01 0.75 0.00 0.55 0.06 39 C C C 26.22 17.35 8.64 25.25 124.35 97.06 -113.99 143.35 65.41 34.08 0.51 55.38 8.70 1.05 0.12 0.52 0.00 29.00 5.23 40 L C S 117.91 2.77 16.74 20.16 97.85 -153.86 -81.66 -27.22 60.72 38.91 0.36 14.89 37.31 9.03 0.03 0.38 0.00 37.13 1.23 41 N C E 103.02 3.23 19.27 22.94 124.01 18.64 -121.18 130.80 50.89 48.82 0.29 15.58 26.27 8.74 0.02 0.28 0.00 48.56 0.55 42 I E E 57.69 17.86 11.71 28.58 117.12 -156.70 -108.63 128.25 32.04 67.89 0.07 29.67 1.37 0.14 0.01 0.05 0.00 68.43 0.34 43 T E E 60.69 8.14 20.62 29.22 112.00 -166.70 -113.27 42.54 7.66 92.23 0.11 6.69 0.60 0.11 0.04 0.05 0.00 92.30 0.20 44 T E E 50.52 13.13 19.35 32.53 126.09 -134.63 -121.21 135.96 2.19 97.73 0.08 1.89 0.14 0.03 0.03 0.03 0.00 97.80 0.08 45 V E E 31.80 15.84 18.60 34.78 120.53 -165.68 -115.96 127.56 3.55 96.35 0.10 2.99 0.33 0.07 0.04 0.04 0.00 96.41 0.12 46 F E E 55.89 13.68 18.99 33.11 119.50 -158.39 -112.78 128.12 14.06 85.64 0.30 11.70 1.66 0.47 0.09 0.18 0.00 85.28 0.63 47 S C E 41.77 12.17 17.50 29.96 117.54 -176.22 -105.53 152.59 60.41 36.02 3.57 23.34 18.69 19.72 0.42 2.97 0.01 33.87 0.99 48 H C T 113.74 6.54 19.75 26.41 100.51 4.72 -85.03 30.36 83.31 12.21 4.47 21.11 30.05 32.48 0.53 3.88 0.00 10.79 1.16 49 A C C 32.79 14.71 13.85 28.71 120.79 96.86 -102.59 147.45 83.95 11.40 4.65 33.96 27.16 23.47 0.57 4.22 0.00 9.20 1.43 50 Q C S 108.01 7.42 19.12 27.17 103.34 -140.30 -91.79 10.28 73.88 24.70 1.42 26.53 31.67 15.99 0.16 1.29 0.00 23.31 1.04 51 T E E 49.69 11.28 20.00 31.70 127.46 85.40 -122.67 146.11 34.42 64.99 0.59 20.56 11.77 2.91 0.10 0.51 0.00 63.47 0.68 52 A E E 28.77 14.80 20.59 35.55 116.88 -121.24 -88.81 137.29 11.79 88.09 0.12 10.62 0.76 0.11 0.03 0.07 0.00 88.10 0.32 53 V E E 11.31 20.82 19.41 40.48 120.12 -157.86 -113.89 130.03 2.96 97.01 0.03 2.63 0.20 0.02 0.01 0.01 0.00 96.96 0.16 54 T E E 47.11 10.54 24.08 35.01 121.77 -160.15 -110.83 135.62 4.40 95.57 0.04 4.07 0.27 0.04 0.01 0.02 0.00 94.80 0.79 55 C C C 9.07 20.97 12.40 33.90 113.09 -118.38 -71.53 136.41 56.09 43.78 0.12 53.80 1.29 0.23 0.03 0.09 0.00 43.13 1.43 56 E C T 121.40 5.02 18.95 24.89 93.99 -131.91 -66.21 -26.35 97.60 1.34 1.06 1.83 13.30 82.38 0.04 1.18 0.00 1.09 0.20 57 S C T 73.54 4.08 17.46 22.20 98.34 41.32 -88.24 -22.47 98.43 0.62 0.95 1.00 11.99 85.36 0.02 1.07 0.00 0.42 0.13 58 C C T 48.31 11.43 12.83 24.64 124.76 17.76 -132.90 146.45 95.11 3.58 1.31 12.73 26.90 55.43 0.07 1.65 0.00 2.48 0.75 59 S C C 82.46 3.83 17.87 22.66 94.97 -135.12 -12.11 5.48 94.48 5.01 0.50 45.54 35.09 13.68 0.07 0.57 0.00 4.35 0.70 60 T C C 60.29 7.72 18.14 27.09 117.95 122.61 -84.69 142.56 68.91 30.86 0.23 45.11 22.08 1.79 0.03 0.24 0.00 29.08 1.66 61 V E E 54.23 13.78 18.54 32.64 110.50 -119.94 -79.92 124.96 3.75 96.24 0.01 3.62 0.19 0.02 0.00 0.01 0.00 94.67 1.49 62 L E E 16.76 19.36 19.82 39.46 99.36 175.87 -91.48 -26.59 6.30 93.69 0.01 3.26 2.78 0.10 0.00 0.01 0.00 93.79 0.06 63 C E E 7.25 21.60 17.18 39.26 139.21 10.21 -148.97 152.54 1.03 98.97 0.00 0.83 0.12 0.01 0.00 0.00 0.00 99.01 0.03 64 T E E 65.67 6.66 24.28 31.48 124.03 -153.53 -125.99 135.35 0.95 99.04 0.00 0.89 0.03 0.00 0.00 0.00 0.00 99.07 0.01 65 P E E 49.46 16.61 11.91 27.98 113.16 -113.31 -69.58 137.98 3.89 96.10 0.01 3.52 0.13 0.01 0.00 0.00 0.00 96.24 0.09 66 T E E 77.11 4.62 14.25 20.76 120.96 176.79 -135.56 123.57 14.78 84.99 0.24 11.16 3.36 0.89 0.06 0.22 0.00 82.19 2.12 67 G C T 67.70 0.57 14.47 13.21 94.22 -16.44 58.58 30.78 99.03 0.43 0.54 0.57 11.91 86.51 0.01 0.64 0.00 0.30 0.06 68 G C T 51.48 5.39 13.09 19.50 95.29 -47.18 82.25 1.72 99.29 0.17 0.54 0.73 12.68 85.83 0.01 0.62 0.00 0.12 0.03 69 K E E 115.44 3.53 18.39 23.14 128.22 93.67 -119.12 147.12 14.00 85.91 0.09 9.02 4.68 1.02 0.02 0.08 0.00 84.17 0.99 70 A E E 19.39 20.82 11.64 31.90 116.44 -122.50 -83.74 136.33 5.54 94.45 0.01 4.99 0.22 0.02 0.00 0.00 0.00 94.67 0.09 71 K E E 99.82 5.42 23.90 29.92 128.07 -170.89 -126.18 143.77 2.79 97.20 0.01 2.50 0.14 0.01 0.00 0.00 0.00 97.22 0.11 72 L E E 54.65 18.20 13.39 30.74 113.80 -116.97 -78.93 134.40 10.70 89.23 0.07 10.29 0.43 0.06 0.03 0.03 0.00 87.46 1.71 73 S C C 41.69 9.82 15.40 26.34 120.32 -139.46 -86.24 160.98 82.92 15.61 1.46 73.33 5.80 2.71 0.20 1.46 0.00 15.61 0.89 74 E C T 153.98 1.79 16.38 18.44 110.58 -79.41 -65.61 136.16 85.90 11.27 2.83 8.17 18.05 60.15 0.25 2.78 0.00 9.33 1.27 75 G C T 54.92 2.53 16.99 19.84 97.08 21.90 84.91 -2.44 90.45 7.18 2.38 14.29 18.01 58.17 0.20 2.47 0.00 6.15 0.70 76 T C C 30.42 18.96 9.87 27.70 115.54 131.19 -84.10 135.08 86.22 12.21 1.58 73.87 9.60 2.38 0.33 1.43 0.00 10.36 2.02 77 S C C 59.12 6.58 19.42 26.79 124.23 -164.30 -114.74 144.32 69.52 29.22 1.26 55.38 10.00 2.98 0.35 1.09 0.00 25.29 4.92 78 F C C 75.71 15.67 12.84 28.21 125.07 -166.09 -119.95 141.12 55.77 43.04 1.18 43.59 8.83 2.78 0.30 1.08 0.00 40.18 3.25 79 R E E 131.34 6.00 14.87 22.54 123.80 -163.37 -120.72 140.05 44.12 54.96 0.92 37.83 3.90 1.20 0.44 0.64 0.00 49.20 6.78 80 R C C 145.13 6.38 10.98 19.13 116.47 -135.70 -92.97 135.18 55.62 43.84 0.54 54.08 1.10 0.52 0.27 0.26 0.00 38.22 5.56 81 K C C 145.60 3.60 13.10 18.24 110.55 -120.11 -81.40 124.13 99.86 0.14 0.01 99.85 0.04 0.02 0.00 0.00 0.00 0.08 0.01