# 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 116.24 5.04 13.25 19.84 117.77 -167.63 -100.22 135.47 99.80 0.20 0.00 99.82 0.04 0.01 0.00 0.00 0.00 0.12 0.01 1 T C C 82.73 6.04 12.00 19.72 118.61 -161.24 -104.82 136.52 82.52 17.08 0.40 79.45 1.16 1.22 0.09 0.21 0.00 16.70 1.18 2 N C C 75.30 8.95 12.41 22.62 114.89 -152.68 -100.20 127.04 61.74 37.86 0.41 45.19 12.14 2.92 0.05 0.42 0.00 38.59 0.68 3 R E E 119.99 8.07 15.56 24.99 123.91 -168.88 -119.57 137.48 29.63 70.23 0.14 26.02 2.70 0.28 0.03 0.10 0.00 70.22 0.64 4 L E E 43.30 15.42 14.58 30.50 125.98 -167.98 -123.46 137.63 11.88 88.07 0.05 10.75 0.86 0.08 0.01 0.03 0.00 88.07 0.19 5 V E E 70.63 7.88 21.26 30.03 119.70 -156.32 -112.65 128.42 7.13 92.82 0.05 6.62 0.41 0.07 0.01 0.03 0.00 92.75 0.12 6 L E E 17.56 21.69 15.84 37.28 124.92 -171.15 -119.46 136.41 5.89 94.08 0.03 5.64 0.28 0.04 0.01 0.01 0.00 93.81 0.20 7 S E E 48.82 8.13 23.82 32.64 131.51 -174.22 -130.02 149.07 6.28 93.70 0.02 5.78 0.34 0.05 0.00 0.01 0.00 93.67 0.14 8 G E E 10.87 12.83 20.42 34.80 144.86 113.68 173.87 -175.91 5.36 94.64 0.01 4.16 0.93 0.07 0.00 0.01 0.00 94.79 0.04 9 T E E 52.58 8.47 25.60 35.01 125.91 -71.57 -117.06 143.44 1.85 98.15 0.00 1.70 0.07 0.00 0.00 0.00 0.00 98.18 0.05 10 V E E 13.64 23.13 16.13 39.39 112.03 -119.18 -80.45 127.79 2.04 97.95 0.00 1.98 0.05 0.00 0.00 0.00 0.00 97.56 0.40 11 C E E 39.77 11.94 20.30 32.73 104.87 -164.91 -99.87 -27.66 25.55 74.41 0.04 19.48 5.63 0.23 0.01 0.04 0.00 73.57 1.05 12 R C E 125.65 5.45 21.68 27.58 127.73 -5.18 -123.54 149.18 57.40 42.51 0.09 19.36 37.02 1.10 0.01 0.09 0.00 41.71 0.71 13 A C C 60.34 8.41 18.35 27.55 115.53 -89.86 -71.81 142.07 77.21 22.68 0.11 45.47 29.97 0.76 0.01 0.10 0.00 23.29 0.39 14 P C C 41.58 17.13 12.50 29.21 115.58 -104.94 -66.80 145.99 78.45 21.42 0.13 74.68 2.15 0.30 0.02 0.09 0.00 22.39 0.37 15 L E E 85.21 6.27 18.89 26.05 117.85 -137.12 -97.74 136.77 21.48 78.42 0.10 18.64 2.48 0.24 0.02 0.07 0.00 77.42 1.13 16 R E E 123.03 10.87 13.02 24.84 121.14 -146.80 -107.56 135.11 4.95 95.03 0.01 4.60 0.24 0.02 0.00 0.01 0.00 94.93 0.20 17 K E E 102.99 5.18 15.86 22.92 131.58 172.50 -136.15 154.07 1.81 98.19 0.00 1.57 0.12 0.01 0.00 0.00 0.00 98.25 0.05 18 V E E 93.24 5.98 12.52 20.53 118.71 -128.64 -104.86 131.61 4.03 95.96 0.01 3.76 0.25 0.01 0.00 0.00 0.00 94.73 1.24 19 S C C 34.64 9.27 8.50 19.37 123.24 -135.38 -81.63 168.37 98.21 1.77 0.02 98.24 0.31 0.05 0.00 0.01 0.00 1.24 0.16 20 P C T 130.79 0.54 11.31 11.27 90.11 -96.38 -62.90 -23.45 98.37 0.20 1.43 0.68 4.02 93.40 0.03 1.72 0.00 0.13 0.04 21 S C T 83.48 1.55 11.05 13.20 92.60 56.75 -86.34 -2.94 98.12 0.09 1.79 0.34 3.64 93.86 0.03 2.06 0.00 0.05 0.02 22 G C S 45.73 3.70 13.08 18.23 96.39 -104.64 85.37 6.32 98.40 0.39 1.21 13.90 82.58 2.08 0.06 1.06 0.00 0.18 0.15 23 I C C 58.75 8.67 13.19 23.97 115.67 137.82 -86.67 131.90 97.44 2.55 0.01 92.60 5.17 0.05 0.00 0.01 0.00 1.82 0.34 24 P E E 36.34 11.54 16.28 29.44 113.90 -114.11 -68.54 143.12 6.84 93.16 0.00 6.55 0.22 0.01 0.00 0.00 0.00 91.93 1.28 25 H E E 49.80 13.05 19.38 33.12 129.80 -172.72 -127.93 148.21 0.56 99.44 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.46 0.01 26 C E E 9.69 20.80 16.70 37.90 126.91 -161.37 -123.13 142.70 0.30 99.70 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 27 Q E E 70.59 9.10 24.55 34.01 121.73 -157.41 -114.48 133.14 0.37 99.63 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 28 F E E 13.17 22.71 15.97 38.69 130.74 -175.73 -130.09 148.02 0.38 99.62 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.64 0.00 29 V E E 42.33 8.62 24.80 34.54 118.55 -144.83 -110.11 129.72 0.38 99.62 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.66 0.00 30 L E E 7.30 23.60 16.51 40.55 120.86 -165.41 -114.07 131.89 0.55 99.45 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.50 0.01 31 E E E 59.88 8.83 23.76 33.32 119.73 -159.97 -110.90 131.15 0.71 99.29 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.37 0.01 32 H E E 31.08 17.75 14.48 32.38 128.03 -176.62 -127.58 142.80 1.30 98.70 0.00 1.07 0.07 0.00 0.00 0.00 0.00 98.82 0.03 33 R E E 126.35 6.01 18.67 25.75 117.97 -151.61 -107.51 130.06 3.37 96.62 0.00 2.88 0.21 0.01 0.00 0.00 0.00 96.86 0.03 34 S E E 35.63 10.34 13.64 25.46 131.43 168.66 -129.19 155.16 5.43 94.56 0.01 4.88 0.18 0.01 0.00 0.00 0.00 94.88 0.04 35 V E E 86.32 6.65 13.57 22.01 122.49 -145.99 -118.19 136.04 3.27 96.71 0.01 2.92 0.16 0.02 0.00 0.01 0.00 96.84 0.06 36 Q E E 81.23 6.64 11.69 20.31 128.17 -172.92 -130.15 149.59 3.07 96.90 0.03 2.57 0.24 0.04 0.00 0.01 0.00 97.08 0.06 37 E E E 133.54 3.02 10.71 15.80 116.00 -135.62 -103.12 126.25 9.06 90.87 0.07 7.37 0.94 0.16 0.01 0.04 0.00 91.35 0.13 38 E E E 104.17 4.50 8.07 14.73 121.72 172.85 -131.53 128.59 14.98 84.74 0.28 9.52 4.07 1.71 0.05 0.25 0.00 83.81 0.59 39 A C T 103.70 0.49 10.17 9.93 95.99 -20.06 49.84 48.30 99.25 0.41 0.34 1.38 8.00 89.88 0.01 0.35 0.00 0.33 0.05 40 G C T 68.61 0.34 9.83 8.96 95.97 -44.09 80.06 0.49 99.55 0.17 0.28 1.26 8.64 89.64 0.01 0.30 0.00 0.13 0.02 41 F E E 127.01 2.41 8.53 12.91 123.78 99.37 -116.04 145.34 12.64 87.32 0.04 8.38 4.07 0.48 0.01 0.04 0.00 86.51 0.52 42 H E E 133.08 3.78 9.19 15.19 116.94 -133.11 -94.46 132.17 6.37 93.62 0.01 5.14 0.52 0.06 0.00 0.00 0.00 94.23 0.05 43 R E E 113.58 5.19 12.06 19.36 125.89 -177.12 -125.18 144.32 2.58 97.42 0.00 2.18 0.15 0.01 0.00 0.00 0.00 97.64 0.02 44 Q E E 113.13 5.89 12.71 20.76 119.44 -137.94 -101.30 136.25 1.46 98.54 0.00 1.27 0.06 0.00 0.00 0.00 0.00 98.65 0.01 45 A E E 34.37 9.58 13.42 24.95 132.21 -175.28 -135.49 153.37 1.35 98.65 0.00 1.15 0.07 0.00 0.00 0.00 0.00 98.77 0.01 46 W E E 144.05 7.49 16.03 25.14 123.05 -140.85 -111.89 140.56 1.17 98.83 0.00 0.97 0.06 0.00 0.00 0.00 0.00 98.96 0.01 47 C E E 22.83 15.01 14.86 30.94 132.03 -176.01 -135.75 150.98 0.83 99.17 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.27 0.01 48 Q E E 89.35 8.57 20.19 29.56 120.49 -140.23 -110.31 131.91 0.69 99.31 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.39 0.01 49 M E E 14.33 21.00 16.34 37.57 123.06 -171.81 -123.01 130.50 1.48 98.52 0.00 1.31 0.05 0.00 0.00 0.00 0.00 98.63 0.02 50 P E E 45.47 8.32 24.85 34.12 114.06 -121.72 -71.92 139.91 2.13 97.87 0.00 1.93 0.05 0.00 0.00 0.00 0.00 98.00 0.01 51 V E E 3.23 26.30 16.46 43.73 125.29 -165.98 -122.55 138.96 1.69 98.31 0.00 1.52 0.07 0.00 0.00 0.00 0.00 98.37 0.03 52 I E E 40.55 10.88 27.37 39.26 118.03 -159.15 -110.98 127.52 0.43 99.57 0.00 0.38 0.02 0.00 0.00 0.00 0.00 99.58 0.02 53 V E E 7.15 23.77 18.02 41.92 124.57 -170.39 -117.81 137.91 1.55 98.45 0.00 1.45 0.05 0.00 0.00 0.00 0.00 98.41 0.09 54 S E E 32.41 9.85 21.94 32.49 135.54 174.17 -137.07 159.58 27.05 72.88 0.07 24.22 1.68 0.12 0.02 0.04 0.00 73.51 0.41 55 G H H 32.49 5.14 20.66 26.49 123.40 20.57 84.18 -157.07 48.06 2.06 49.88 6.05 19.32 23.79 37.37 11.20 0.29 1.24 0.75 56 H H H 144.89 2.43 18.74 21.56 93.36 -35.50 -67.07 -32.29 27.03 0.29 72.68 3.11 5.43 18.52 59.13 13.34 0.15 0.15 0.17 57 E H H 92.91 8.15 18.85 27.70 92.08 57.01 -66.69 -34.68 19.65 0.31 80.04 4.41 3.48 11.58 64.91 15.19 0.10 0.17 0.15 58 N H H 16.04 21.76 13.85 35.18 92.22 55.60 -64.90 -39.72 13.83 0.33 85.85 4.56 2.34 6.73 73.79 12.21 0.05 0.18 0.13 59 Q H H 89.20 8.42 20.65 29.31 91.92 53.22 -63.68 -39.41 14.06 0.26 85.68 3.12 2.02 8.42 75.49 10.63 0.06 0.15 0.11 60 A H H 52.13 3.75 22.60 26.00 91.90 51.06 -64.70 -40.77 14.20 0.28 85.52 3.35 1.87 8.38 77.53 8.54 0.04 0.16 0.12 61 I H H 19.07 19.22 17.84 36.75 92.64 49.97 -65.89 -41.10 8.58 0.59 90.84 2.71 1.18 4.32 80.17 11.04 0.05 0.35 0.16 62 T H H 26.44 20.59 16.52 36.24 91.75 53.53 -64.16 -36.45 8.06 0.27 91.67 1.37 0.76 5.20 74.15 18.27 0.01 0.17 0.06 63 H H H 135.55 3.00 22.06 25.29 91.78 52.99 -72.10 -23.02 19.69 0.12 80.19 1.11 1.20 16.30 62.96 18.28 0.04 0.07 0.05 64 S H H 58.11 6.81 21.00 28.26 97.12 51.30 -93.64 -10.11 36.38 0.16 63.46 2.35 2.73 29.95 50.32 14.42 0.04 0.08 0.11 65 I C C 7.13 26.21 10.21 36.06 117.12 92.24 -87.97 134.05 96.28 2.59 1.13 84.26 11.22 0.61 1.06 0.21 0.00 0.99 1.66 66 T C C 72.92 3.62 24.78 28.59 133.03 -176.99 -130.58 159.68 92.36 7.15 0.49 88.28 3.32 0.38 0.35 0.11 0.00 1.95 5.61 67 V C T 86.64 10.51 15.59 26.81 109.99 -80.53 -59.69 134.89 97.85 1.70 0.45 0.41 2.50 95.70 0.07 0.16 0.00 0.68 0.47 68 G C T 44.22 3.92 20.16 24.81 95.85 25.07 89.11 -6.32 99.71 0.24 0.06 0.55 2.47 96.77 0.00 0.03 0.00 0.17 0.01 69 S C C 21.05 15.00 15.24 31.42 117.16 134.25 -70.40 144.57 97.17 2.82 0.01 94.32 2.78 0.05 0.00 0.01 0.00 2.77 0.08 70 R E E 116.67 7.45 23.93 31.90 115.15 -124.57 -88.76 132.08 4.63 95.36 0.00 4.78 0.10 0.00 0.00 0.00 0.00 94.68 0.43 71 I E E 4.48 25.79 15.29 41.71 132.24 -172.23 -131.67 152.71 0.40 99.60 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.00 72 T E E 36.63 9.32 26.90 37.49 118.86 -143.69 -109.55 131.28 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 73 V E E 2.90 26.51 17.25 44.77 121.30 -166.53 -116.64 131.21 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 74 Q E E 67.20 8.80 26.60 35.79 125.63 -171.87 -121.92 139.02 0.36 99.63 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 75 G E E 8.82 16.63 20.07 36.84 144.43 116.49 -167.21 -169.74 1.80 98.20 0.00 1.42 0.14 0.01 0.00 0.00 0.00 98.42 0.01 76 F E E 79.35 8.23 24.74 33.69 127.78 -83.73 -123.94 147.21 2.18 97.82 0.00 1.87 0.12 0.00 0.00 0.00 0.00 97.98 0.02 77 I E E 34.74 20.32 15.00 34.79 116.45 -129.65 -95.42 130.00 1.64 98.35 0.00 1.50 0.05 0.00 0.00 0.00 0.00 98.40 0.04 78 S E E 37.40 7.93 21.32 30.21 131.45 176.29 -129.78 155.03 1.03 98.97 0.00 0.93 0.03 0.00 0.00 0.00 0.00 99.01 0.03 79 C E E 55.09 13.68 13.84 27.77 125.72 -148.02 -119.91 139.84 2.11 97.88 0.00 1.85 0.08 0.01 0.00 0.00 0.00 98.01 0.04 80 H E E 85.72 6.29 15.77 23.73 130.17 -171.37 -131.93 151.99 3.27 96.72 0.01 2.79 0.24 0.02 0.00 0.01 0.00 96.88 0.06 81 K E E 135.68 3.92 12.55 18.49 115.79 -124.56 -96.27 129.30 9.66 90.26 0.07 8.80 0.64 0.09 0.02 0.05 0.00 89.79 0.61 82 A C C 38.02 8.61 7.62 17.72 122.66 -144.70 -87.81 165.67 81.02 18.67 0.31 78.39 1.50 0.41 0.06 0.19 0.00 18.71 0.73 83 K C T 179.32 0.60 9.73 10.08 92.95 -97.28 -65.08 -24.56 76.97 14.40 8.63 9.75 13.90 53.70 0.45 8.70 0.00 12.06 1.43 84 N C T 132.38 0.69 9.73 10.07 94.97 51.90 -87.53 4.80 90.88 0.73 8.39 5.68 11.31 72.31 0.36 9.61 0.00 0.50 0.23 85 G C S 53.37 1.97 10.82 13.88 98.09 -98.12 87.20 4.58 92.42 1.72 5.87 19.53 54.72 17.78 0.34 6.02 0.00 1.13 0.47 86 L C C 80.48 4.82 10.32 17.31 117.73 132.05 -85.16 142.27 78.86 21.03 0.11 73.10 4.25 0.51 0.02 0.09 0.00 21.19 0.84 87 S E E 56.02 8.04 12.44 22.07 122.49 -142.28 -103.63 142.98 12.44 87.54 0.03 11.14 0.80 0.08 0.01 0.02 0.00 87.64 0.31 88 K E E 76.43 10.63 16.15 27.79 129.55 -172.34 -131.13 146.08 4.41 95.58 0.01 3.48 0.50 0.03 0.00 0.00 0.00 95.96 0.03 89 M E E 48.89 14.06 17.28 32.13 117.08 -132.78 -95.85 130.58 0.95 99.05 0.00 0.83 0.04 0.00 0.00 0.00 0.00 99.13 0.01 90 V E E 28.20 12.84 21.09 35.19 123.45 -167.74 -118.13 135.67 0.32 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 91 L E E 9.38 22.72 18.36 41.34 117.94 -152.60 -105.38 128.17 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 92 H E E 57.11 9.97 25.94 36.47 118.47 -163.85 -111.48 126.43 0.33 99.67 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.01 93 A E E 8.34 23.24 14.24 37.44 114.74 -144.69 -90.86 129.38 2.10 97.90 0.01 1.92 0.05 0.00 0.00 0.00 0.00 98.00 0.02 94 E E E 101.16 5.30 22.51 28.29 99.66 -160.45 -91.92 -32.86 6.59 93.38 0.03 2.89 3.11 0.16 0.00 0.02 0.00 93.78 0.03 95 Q E E 81.60 5.69 24.36 30.55 136.47 4.82 -151.17 146.92 2.85 97.13 0.02 2.08 0.39 0.03 0.00 0.01 0.00 97.47 0.02 96 I E E 19.47 24.41 12.81 36.80 123.79 -166.15 -125.85 131.38 1.17 98.82 0.01 1.06 0.04 0.00 0.00 0.00 0.00 98.87 0.02 97 E E E 89.85 5.15 25.15 30.61 126.53 -174.94 -129.65 138.89 1.22 98.77 0.01 1.04 0.06 0.01 0.00 0.00 0.00 98.87 0.02 98 L E E 63.03 16.23 14.55 30.36 114.24 -124.37 -81.42 131.91 5.42 94.54 0.03 4.94 0.26 0.04 0.01 0.01 0.00 94.58 0.15 99 I E E 68.26 10.10 14.21 25.50 113.75 -157.83 -99.15 131.32 46.93 52.75 0.32 40.76 4.18 0.84 0.07 0.25 0.00 52.94 0.95 100 D C C 101.72 3.98 13.99 19.53 110.43 -122.63 -93.42 117.44 71.13 28.11 0.76 50.65 14.94 4.78 0.11 0.79 0.00 27.50 1.22 101 S C C 68.94 6.87 9.77 18.02 104.40 162.88 -94.71 8.86 86.37 12.23 1.41 51.58 18.59 16.30 0.20 1.47 0.00 10.45 1.42 102 G C C 56.03 2.31 11.51 15.24 108.41 -118.14 78.81 4.61 96.04 3.23 0.73 75.71 5.78 14.54 0.11 0.63 0.00 2.54 0.68 103 D C C 113.20 2.48 11.88 15.78 110.91 -49.47 -88.83 112.56 99.92 0.07 0.00 99.83 0.10 0.03 0.00 0.00 0.00 0.04 0.01