# 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 119.12 4.47 11.32 17.23 111.41 -160.96 -90.03 121.60 99.90 0.07 0.04 99.83 0.07 0.04 0.02 0.00 0.00 0.03 0.01 1 A C C 73.64 3.79 9.41 14.83 110.95 -127.70 -84.16 135.61 80.70 2.85 16.45 75.53 1.32 5.37 11.39 3.55 0.00 1.81 1.04 2 E C C 134.48 2.74 9.61 13.86 109.68 -130.20 -87.05 113.98 70.48 5.13 24.39 49.28 11.31 9.62 16.74 8.10 0.01 3.34 1.60 3 A C C 72.35 4.60 9.31 15.52 110.40 -135.25 -86.57 115.35 66.48 5.46 28.07 46.27 11.04 8.98 18.09 10.43 0.02 3.67 1.51 4 Q C C 119.71 4.11 10.64 16.35 110.01 -152.29 -91.66 112.95 66.69 5.48 27.83 47.30 10.50 8.72 18.46 9.80 0.02 3.73 1.46 5 K C C 133.64 4.33 11.64 17.50 110.30 -149.61 -91.57 117.85 71.76 5.85 22.39 45.34 15.66 10.83 15.08 7.56 0.04 4.06 1.42 6 T C C 80.69 5.91 12.29 19.65 113.97 59.32 -96.03 128.25 75.75 9.76 14.49 51.14 15.14 9.38 9.37 5.35 0.02 7.94 1.66 7 V C C 78.78 9.45 12.30 22.74 117.83 -156.45 -103.58 134.57 77.94 16.42 5.64 59.35 13.50 4.34 3.38 2.27 0.00 15.68 1.47 8 R C C 105.46 9.55 15.69 26.12 121.37 -160.36 -109.87 136.43 60.87 36.16 2.97 49.17 7.81 2.84 1.30 1.49 0.00 36.13 1.25 9 T E E 70.10 9.20 18.09 28.04 119.82 -148.41 -106.89 132.52 39.34 59.59 1.07 33.15 4.51 1.09 0.45 0.58 0.00 58.98 1.24 10 L E E 25.75 18.77 15.42 34.21 125.03 -169.99 -119.85 138.43 22.16 77.59 0.25 19.33 2.09 0.35 0.08 0.15 0.00 77.19 0.82 11 T E E 65.20 7.89 23.50 31.98 123.63 -160.83 -115.16 137.66 14.20 85.70 0.09 12.36 1.27 0.18 0.02 0.05 0.00 85.71 0.41 12 G E E 10.24 18.31 17.17 35.41 143.20 145.35 -162.33 171.11 5.05 94.93 0.02 3.90 0.84 0.08 0.00 0.01 0.00 95.10 0.07 13 R E E 115.49 5.67 24.48 31.00 124.98 -92.24 -119.91 141.56 1.44 98.56 0.01 1.23 0.08 0.01 0.00 0.00 0.00 98.65 0.03 14 V E E 29.65 20.61 13.44 34.06 110.29 -115.87 -75.65 126.17 1.45 98.55 0.01 1.31 0.05 0.00 0.00 0.00 0.00 98.59 0.05 15 V E E 69.57 6.51 20.50 27.92 102.33 176.01 -100.00 -25.23 4.04 95.93 0.03 3.15 0.61 0.06 0.00 0.01 0.00 96.07 0.09 16 S E E 53.35 6.03 19.83 26.88 136.48 -2.67 -150.19 152.26 13.06 86.85 0.09 9.36 3.27 0.37 0.02 0.06 0.00 86.64 0.27 17 D C E 60.79 13.37 11.60 25.13 117.36 -162.95 -126.82 115.50 52.52 47.25 0.22 45.77 4.01 0.66 0.04 0.18 0.00 48.80 0.54 18 K C S 138.57 3.49 14.93 19.58 99.83 -161.61 -87.91 -11.38 75.58 23.20 1.22 21.57 39.81 14.02 0.11 1.21 0.00 22.38 0.89 19 M C S 104.24 4.53 12.93 18.73 117.53 78.54 -99.21 146.98 74.36 23.60 2.04 16.80 36.71 22.37 0.24 1.89 0.01 18.52 3.45 20 D C T 114.40 2.68 15.08 18.45 97.68 -89.62 -62.82 -4.20 98.52 0.51 0.97 3.56 35.96 59.07 0.06 0.90 0.00 0.32 0.13 21 K C T 108.53 8.81 14.93 24.29 99.15 20.56 -100.81 12.08 98.53 0.97 0.51 2.70 36.08 59.83 0.02 0.49 0.00 0.77 0.10 22 T E E 32.25 11.13 17.67 30.44 131.64 82.24 -128.27 147.59 17.05 82.91 0.04 13.30 3.21 0.28 0.01 0.03 0.00 82.52 0.65 23 V E E 10.27 19.53 17.04 37.45 126.33 -161.99 -120.51 140.81 2.99 97.01 0.00 2.69 0.08 0.00 0.00 0.00 0.00 97.20 0.03 24 T E E 27.52 10.64 24.47 36.52 119.01 -150.22 -108.63 129.86 0.32 99.68 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 25 V E E 5.79 22.98 17.52 41.15 121.30 -165.63 -115.28 130.67 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 26 L E E 41.65 9.49 24.03 34.76 115.97 -149.53 -100.48 127.80 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 27 I E E 13.84 19.91 15.97 36.42 123.31 -171.15 -119.73 134.94 0.29 99.71 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.73 0.00 28 E E E 81.98 8.07 20.60 29.38 117.84 -147.06 -100.24 130.55 1.36 98.64 0.00 1.20 0.05 0.00 0.00 0.00 0.00 98.74 0.01 29 R E E 66.64 13.05 14.72 28.58 129.50 174.69 -130.53 146.86 2.61 97.38 0.00 2.33 0.09 0.01 0.00 0.00 0.00 97.55 0.02 30 R E E 126.94 6.32 16.63 24.22 116.13 -128.05 -97.24 128.85 2.47 97.53 0.00 2.21 0.08 0.00 0.00 0.00 0.00 97.68 0.03 31 V E E 43.77 10.71 13.67 26.04 127.44 -171.31 -128.92 146.81 1.53 98.47 0.00 1.31 0.07 0.01 0.00 0.00 0.00 98.59 0.02 32 K E E 123.52 3.94 14.94 20.22 114.50 -120.01 -86.04 130.30 2.49 97.51 0.01 2.31 0.12 0.01 0.00 0.00 0.00 97.14 0.42 33 H C C 42.58 12.27 7.70 21.05 110.35 -136.91 -89.03 118.97 62.51 37.44 0.04 61.64 0.56 0.07 0.01 0.02 0.00 37.10 0.61 34 P C T 108.81 1.47 12.23 14.24 92.81 -147.90 -64.60 -27.53 98.32 0.20 1.48 0.40 2.78 95.21 0.06 1.38 0.00 0.13 0.04 35 I C T 129.59 1.56 11.31 13.52 98.05 47.04 -77.74 -38.99 98.63 0.14 1.23 0.18 2.28 96.33 0.03 1.06 0.00 0.07 0.05 36 Y C T 133.28 3.15 10.46 15.03 101.45 23.78 -105.76 -10.57 98.84 0.14 1.03 0.39 2.31 96.28 0.04 0.88 0.00 0.08 0.03 37 G C C 53.45 2.37 11.45 15.19 95.87 -125.29 75.41 9.24 99.04 0.67 0.29 53.87 5.74 39.42 0.06 0.19 0.00 0.62 0.11 38 K C C 108.93 3.24 12.04 17.07 125.43 122.13 -109.06 152.69 66.27 33.71 0.03 61.92 2.48 0.16 0.00 0.02 0.00 35.01 0.40 39 Y E E 133.40 7.04 11.67 20.45 118.18 -124.88 -95.51 136.46 0.94 99.06 0.00 0.87 0.02 0.00 0.00 0.00 0.00 99.03 0.07 40 V E E 51.21 9.28 12.97 24.24 125.62 -171.70 -124.53 142.37 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 41 K E E 122.90 6.60 14.37 22.94 119.82 -143.42 -104.81 134.40 0.28 99.72 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 42 R E E 91.33 9.30 14.28 25.09 128.78 -177.38 -130.95 147.82 0.57 99.43 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.48 0.00 43 S E E 60.14 8.60 15.35 25.37 124.37 -152.91 -118.24 143.66 1.50 98.50 0.00 1.32 0.05 0.00 0.00 0.00 0.00 98.62 0.01 44 T E E 37.90 12.84 15.29 29.16 130.45 -176.34 -133.56 149.64 1.94 98.06 0.00 1.81 0.07 0.00 0.00 0.00 0.00 98.07 0.03 45 K E E 110.29 7.70 19.82 28.65 119.05 -136.27 -104.51 132.20 3.84 96.16 0.00 3.49 0.26 0.01 0.00 0.00 0.00 96.17 0.06 46 L E E 15.89 20.88 15.94 36.92 125.64 -170.92 -122.27 139.45 4.74 95.26 0.00 4.58 0.15 0.01 0.00 0.00 0.00 95.17 0.10 47 H E E 74.95 9.70 25.21 35.28 119.40 -148.67 -99.64 136.41 5.12 94.88 0.00 5.01 0.13 0.01 0.00 0.00 0.00 94.58 0.27 48 A E E 4.32 24.48 17.27 42.03 132.02 -175.49 -134.19 147.53 13.00 86.98 0.02 12.49 0.45 0.03 0.01 0.01 0.00 86.31 0.70 49 H E E 63.59 9.97 24.59 35.11 122.95 -154.11 -118.81 134.28 18.75 81.19 0.06 16.97 1.45 0.13 0.03 0.04 0.00 76.50 4.89 50 D C C 17.18 19.94 13.54 33.25 112.23 -171.38 -119.43 108.71 82.61 17.21 0.18 79.79 2.23 0.42 0.04 0.13 0.00 16.11 1.28 51 E C T 132.01 3.45 17.61 22.40 93.66 -167.99 -68.57 -26.42 95.43 1.48 3.10 19.18 18.88 56.57 0.18 3.77 0.00 1.04 0.39 52 S C T 78.09 2.12 18.44 19.96 96.31 41.36 -95.12 1.81 96.31 0.58 3.12 3.61 28.94 63.35 0.11 3.45 0.00 0.34 0.22 53 N C S 70.10 13.80 13.55 27.36 95.10 -119.21 64.28 32.13 95.51 2.16 2.33 27.75 58.82 8.54 0.17 2.62 0.00 1.28 0.82 54 Q C C 101.43 5.00 22.99 28.39 108.47 126.52 -95.72 38.66 94.03 5.66 0.31 88.37 4.23 1.13 0.09 0.23 0.00 2.27 3.67 55 C C C 7.64 24.97 10.85 35.26 125.49 147.83 -113.16 145.33 94.75 5.15 0.09 93.98 1.55 0.21 0.03 0.06 0.00 2.06 2.13 56 R C C 130.30 3.00 25.14 28.32 131.21 -162.64 -127.19 157.14 96.87 3.09 0.04 96.11 1.29 0.13 0.01 0.01 0.00 0.98 1.47 57 I C T 91.09 11.94 16.05 28.29 110.36 -81.41 -59.39 134.43 99.66 0.26 0.08 0.11 1.37 98.33 0.00 0.04 0.00 0.11 0.04 58 G C T 36.86 5.38 20.37 26.96 97.01 26.73 90.36 -7.75 99.93 0.05 0.02 0.19 1.35 98.40 0.00 0.02 0.00 0.03 0.00 59 D C C 29.07 14.70 17.18 33.09 117.53 133.25 -71.26 145.97 97.03 2.97 0.00 96.55 0.72 0.01 0.00 0.00 0.00 2.67 0.05 60 L E E 60.54 10.04 24.30 34.98 116.71 -129.95 -94.89 132.03 0.42 99.58 0.00 0.44 0.00 0.00 0.00 0.00 0.00 99.48 0.08 61 V E E 4.01 25.42 16.49 42.54 130.83 -175.55 -129.04 150.84 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 62 T E E 34.89 9.31 26.44 37.09 118.76 -131.82 -103.01 133.65 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 63 I E E 8.71 24.80 15.99 41.11 120.97 -159.31 -111.93 131.18 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 64 R E E 95.67 7.25 24.46 32.16 131.93 -175.10 -132.18 148.49 0.73 99.27 0.00 0.63 0.03 0.00 0.00 0.00 0.00 99.33 0.01 65 E E E 91.30 11.89 17.46 29.40 114.15 -109.74 -74.89 137.99 2.93 97.06 0.01 2.63 0.14 0.01 0.00 0.00 0.00 97.10 0.10 66 T E E 35.00 13.47 12.92 27.18 129.99 -171.38 -125.13 156.05 35.19 64.74 0.07 32.26 1.77 0.14 0.01 0.05 0.00 65.30 0.48 67 R C E 167.13 1.86 17.16 19.07 114.98 -102.04 -88.76 135.44 57.56 42.22 0.22 40.49 15.79 1.04 0.04 0.20 0.00 41.69 0.75 68 P C C 66.55 10.86 9.08 20.52 112.44 -107.32 -67.86 139.27 69.59 29.63 0.78 56.97 9.87 2.37 0.18 0.62 0.00 28.34 1.65 69 L C S 120.65 2.36 11.98 15.54 98.46 -166.35 -83.54 -30.15 75.92 23.15 0.92 28.72 41.80 6.57 0.20 0.80 0.01 17.51 4.39 70 A C S 58.01 2.57 13.02 16.41 133.91 4.83 -143.70 165.37 78.78 20.11 1.11 20.13 49.22 10.56 0.20 1.01 0.01 14.37 4.52 71 K C S 172.03 1.19 11.56 13.49 93.04 -99.48 -64.28 -25.63 98.29 0.65 1.06 2.75 51.57 44.20 0.08 0.83 0.00 0.40 0.17 72 T C S 95.01 2.82 13.59 17.22 101.35 43.90 -97.90 -4.95 95.75 3.43 0.82 4.40 49.35 42.24 0.05 0.72 0.00 2.86 0.37 73 K E E 70.77 10.94 13.72 25.72 119.73 56.67 -114.36 126.95 46.42 53.28 0.30 37.75 6.98 1.46 0.07 0.28 0.00 50.88 2.57 74 A E E 19.87 12.83 17.89 32.33 130.85 163.94 -127.90 150.87 22.38 77.58 0.04 18.80 2.59 0.23 0.01 0.03 0.00 77.84 0.51 75 W E E 23.12 20.25 17.83 38.32 126.69 -152.44 -120.75 143.76 6.39 93.60 0.01 5.56 0.35 0.03 0.00 0.00 0.00 93.99 0.07 76 T E E 36.75 10.37 25.17 36.40 123.55 -154.80 -117.05 136.41 0.74 99.26 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.29 0.02 77 L E E 16.74 21.93 15.29 37.70 109.94 -118.66 -76.20 124.98 0.36 99.64 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 78 V E E 63.00 7.63 21.26 29.84 101.73 176.05 -98.00 -32.18 1.18 98.81 0.01 0.86 0.15 0.02 0.00 0.00 0.00 98.95 0.01 79 D E E 72.65 4.03 24.03 28.35 137.43 -2.33 -152.58 149.66 1.12 98.87 0.01 0.83 0.12 0.01 0.00 0.00 0.00 99.02 0.01 80 I E E 53.25 18.60 12.45 30.32 111.51 -131.11 -91.97 119.15 1.47 98.51 0.02 1.42 0.04 0.01 0.01 0.01 0.00 98.50 0.03 81 V E E 71.11 6.17 18.16 25.52 101.60 176.89 -95.11 -32.42 7.06 92.78 0.16 5.47 1.28 0.17 0.04 0.07 0.00 92.84 0.13 82 E E E 99.08 4.87 19.12 24.98 136.10 0.17 -149.33 147.68 11.82 87.78 0.40 9.57 1.88 0.43 0.12 0.20 0.00 87.45 0.35 83 R E E 120.96 11.46 13.24 25.21 119.88 -147.19 -106.37 133.91 39.49 58.53 1.98 33.47 4.40 1.64 0.57 1.16 0.00 57.91 0.84 84 A C C 46.03 11.16 11.21 23.03 113.83 -127.50 -79.73 141.98 75.59 20.31 4.11 53.65 14.81 6.06 0.71 3.36 0.00 20.43 0.97 85 V C C 98.76 4.06 12.20 18.01 119.85 -138.26 -110.06 139.64 74.21 21.19 4.61 49.02 18.02 6.97 0.77 3.95 0.00 19.87 1.39 86 E C C 136.87 3.46 10.60 16.17 114.05 -130.23 -91.74 128.43 78.17 19.43 2.40 72.21 2.42 2.86 0.54 1.55 0.00 18.29 2.13 87 V C C 92.87 6.44 10.48 18.47 110.49 -157.97 -95.56 120.00 99.76 0.23 0.01 99.78 0.05 0.01 0.00 0.00 0.00 0.15 0.01