# 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 50.87 14.71 20.12 34.63 120.66 -157.86 -108.46 137.50 98.49 1.50 0.00 98.08 0.41 0.06 0.00 0.00 0.00 1.40 0.04 1 F E E 48.09 14.23 21.13 35.53 130.35 -160.65 -123.21 146.69 7.08 92.92 0.00 6.97 0.13 0.01 0.00 0.00 0.00 92.73 0.15 2 A E E 5.70 21.41 19.54 41.24 128.54 -165.72 -127.49 144.92 0.50 99.50 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.52 0.00 3 I E E 24.84 14.32 24.96 40.02 116.98 -145.62 -106.23 126.46 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 4 I E E 6.13 23.39 18.92 42.71 121.13 -168.23 -115.74 131.12 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 5 E E E 56.18 9.76 22.90 33.67 115.87 -155.66 -107.06 124.00 1.08 98.92 0.00 0.88 0.04 0.00 0.00 0.00 0.00 99.07 0.01 6 T E E 22.52 18.15 13.26 31.18 118.68 173.49 -131.13 117.02 10.47 89.43 0.10 6.35 2.50 1.09 0.01 0.11 0.00 89.74 0.20 7 G C T 52.55 4.48 15.99 21.72 95.05 -25.03 57.67 33.39 99.20 0.49 0.31 0.58 7.25 91.42 0.01 0.35 0.00 0.36 0.04 8 G C T 62.56 1.48 15.14 16.66 96.42 -44.50 82.08 0.88 99.59 0.19 0.22 0.76 8.34 90.47 0.00 0.27 0.00 0.14 0.02 9 K E E 119.05 3.64 15.37 20.82 124.88 101.37 -112.14 143.01 8.99 90.99 0.01 6.98 1.42 0.08 0.00 0.01 0.00 91.36 0.16 10 Q E E 97.05 10.01 14.01 25.09 118.93 -133.79 -100.54 132.41 2.14 97.86 0.00 1.87 0.05 0.00 0.00 0.00 0.00 98.06 0.01 11 I E E 32.37 15.45 15.33 31.69 124.81 -169.77 -123.08 137.20 0.27 99.73 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.75 0.00 12 K E E 117.51 5.54 23.25 29.68 114.64 -136.84 -92.65 129.70 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 13 V E E 8.98 23.79 11.71 35.31 127.31 -172.03 -124.27 144.77 1.80 98.20 0.00 1.83 0.03 0.00 0.00 0.00 0.00 98.04 0.09 14 E C C 103.37 3.52 23.40 26.62 125.88 -153.09 -111.12 152.80 65.71 34.27 0.02 65.31 0.65 0.05 0.01 0.01 0.00 33.30 0.66 15 E C T 114.97 8.78 14.26 24.28 109.89 -81.03 -59.59 133.59 99.07 0.74 0.19 0.30 1.89 97.18 0.01 0.12 0.00 0.44 0.06 16 G C T 50.95 2.92 18.23 21.65 96.21 22.13 87.69 -6.37 99.67 0.24 0.10 0.42 2.12 97.20 0.00 0.07 0.00 0.18 0.01 17 Q C C 74.33 9.24 15.36 25.96 119.58 124.52 -79.38 147.69 94.96 4.99 0.05 89.17 5.55 0.17 0.01 0.04 0.00 4.63 0.43 18 E E E 102.97 8.62 18.46 28.18 119.05 -134.17 -99.86 133.94 21.20 78.73 0.07 21.30 0.36 0.06 0.03 0.03 0.00 76.78 1.44 19 I E E 18.96 20.63 15.16 35.68 125.28 -170.96 -122.41 138.80 9.80 90.10 0.11 9.11 0.40 0.08 0.05 0.04 0.00 90.09 0.25 20 F E E 94.42 8.38 23.44 32.25 117.46 -145.20 -103.99 127.20 7.49 92.37 0.14 6.99 0.37 0.08 0.08 0.05 0.00 92.14 0.29 21 V E E 14.14 22.06 14.44 36.44 118.65 -165.83 -113.26 125.35 16.44 82.93 0.62 15.64 0.74 0.24 0.34 0.25 0.00 82.15 0.64 22 E E E 93.73 6.58 21.81 28.60 115.30 -152.70 -87.75 152.56 45.39 53.53 1.07 28.54 13.01 3.19 0.21 0.94 0.00 53.61 0.49 23 K C C 113.81 8.38 19.11 28.04 113.56 -36.46 -87.35 122.27 62.78 36.38 0.84 46.96 11.88 3.21 0.12 0.92 0.00 35.94 0.96 24 L C C 38.09 18.45 11.78 29.55 119.37 -169.22 -107.45 134.91 73.56 26.07 0.37 68.56 4.03 0.67 0.11 0.29 0.00 23.21 3.13 25 D C C 119.14 1.51 21.92 22.23 101.39 -136.40 -80.53 58.93 93.50 6.39 0.11 78.45 13.77 1.40 0.02 0.13 0.00 5.46 0.78 26 V C C 28.44 17.91 9.88 27.17 130.02 125.74 -119.23 155.63 95.93 4.03 0.04 84.06 12.12 0.19 0.01 0.03 0.00 1.06 2.54 27 N C C 106.42 1.81 20.90 21.36 120.68 -118.30 -87.51 155.72 99.14 0.77 0.09 97.80 1.16 0.24 0.03 0.03 0.00 0.28 0.45 28 E C T 120.67 7.66 13.04 22.26 108.79 -80.82 -59.47 133.57 99.59 0.21 0.19 0.28 2.30 97.13 0.01 0.12 0.00 0.11 0.05 29 G C T 51.16 2.82 17.30 20.66 96.43 22.62 87.98 -5.46 99.78 0.13 0.09 0.48 2.28 97.06 0.00 0.07 0.00 0.09 0.01 30 D C C 58.25 8.72 14.84 25.20 119.72 126.36 -78.04 150.45 94.10 5.87 0.02 90.63 3.27 0.11 0.00 0.02 0.00 5.73 0.25 31 T E E 71.84 9.15 17.99 28.30 123.47 -143.14 -116.08 140.10 7.37 92.63 0.00 7.47 0.16 0.01 0.00 0.00 0.00 91.85 0.50 32 F E E 23.65 20.06 15.61 35.61 128.01 -170.05 -126.13 144.23 0.58 99.42 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.41 0.02 33 T E E 63.64 8.09 24.11 32.72 120.14 -152.10 -109.67 130.64 0.75 99.25 0.00 0.70 0.01 0.00 0.00 0.00 0.00 99.25 0.02 34 F E E 12.17 23.37 13.92 37.40 121.61 -164.77 -115.17 134.04 5.34 94.65 0.01 5.13 0.17 0.01 0.00 0.00 0.00 94.53 0.15 35 D E E 80.09 5.59 23.65 29.67 98.97 -161.33 -84.90 -27.51 23.77 76.13 0.10 12.88 10.09 0.58 0.01 0.08 0.00 76.25 0.11 36 K E E 73.51 10.01 23.85 34.16 131.07 19.20 -138.44 141.67 18.08 81.81 0.11 12.16 5.00 0.37 0.01 0.07 0.00 82.27 0.11 37 V E E 6.76 24.43 18.79 43.42 122.45 -160.69 -116.76 132.04 3.52 96.45 0.02 3.41 0.16 0.02 0.00 0.01 0.00 96.30 0.10 38 L E E 15.23 17.61 25.08 42.75 120.93 -159.59 -111.83 132.30 0.54 99.46 0.00 0.49 0.03 0.00 0.00 0.00 0.00 99.45 0.02 39 F E E 26.96 18.99 23.48 42.04 119.24 -159.56 -107.69 130.06 0.51 99.48 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.50 0.02 40 V E E 19.75 17.41 20.18 37.88 122.16 -168.52 -119.05 130.23 5.32 94.66 0.02 4.38 0.54 0.06 0.00 0.01 0.00 94.83 0.17 41 G C E 21.80 12.82 17.96 31.01 134.87 156.06 -142.73 170.79 50.01 49.78 0.21 33.65 12.91 2.47 0.02 0.22 0.00 50.24 0.49 42 G C S 38.76 6.45 16.84 24.20 122.90 43.64 108.24 -153.94 91.27 7.60 1.13 22.46 44.15 24.65 0.09 1.26 0.00 6.68 0.72 43 D C S 124.28 1.48 15.88 17.29 98.46 -25.23 -85.62 -9.08 96.64 1.56 1.81 18.75 43.87 34.01 0.19 1.75 0.00 1.06 0.37 44 S C C 69.99 3.90 16.71 21.63 124.26 29.15 -123.80 144.02 83.76 15.02 1.22 42.20 23.58 17.65 0.17 1.19 0.00 14.44 0.77 45 V E E 53.52 16.64 11.70 27.87 119.82 -141.99 -108.06 130.96 40.40 59.30 0.29 36.19 2.55 0.51 0.09 0.17 0.00 59.76 0.73 46 K E E 105.08 6.78 20.41 28.39 122.45 -169.65 -120.50 133.59 10.18 89.64 0.19 9.11 0.83 0.17 0.12 0.08 0.00 87.90 1.79 47 V E E 63.25 14.54 14.58 29.06 120.10 -156.95 -109.79 132.41 16.02 83.65 0.33 12.80 2.44 0.82 0.18 0.20 0.00 82.01 1.55 48 G C S 32.28 7.10 19.11 26.60 128.97 29.85 108.42 -167.59 76.64 23.19 0.17 29.87 42.22 4.07 0.03 0.17 0.00 22.99 0.66 49 A C S 65.59 5.85 19.81 26.32 115.27 -38.40 -82.29 137.16 91.05 8.82 0.13 40.43 49.40 1.56 0.02 0.12 0.00 7.79 0.68 50 P C C 47.34 17.40 14.64 31.18 105.06 -113.84 -68.59 103.79 89.97 9.45 0.58 58.01 26.57 5.38 0.08 0.64 0.00 8.37 0.95 51 T C C 64.00 9.50 22.02 31.53 116.43 60.51 -108.01 126.61 56.64 42.48 0.88 41.75 11.42 3.45 0.27 0.77 0.01 29.39 12.94 52 V C C 17.89 22.67 13.06 34.97 114.84 -165.54 -108.51 114.97 56.15 43.14 0.71 47.01 6.55 1.25 0.25 0.58 0.00 36.00 8.37 53 E C T 132.90 3.20 20.98 25.09 112.55 -141.76 -77.27 133.09 69.62 29.66 0.72 11.72 16.34 43.17 0.08 0.66 0.00 26.34 1.67 54 G C T 47.30 3.97 20.73 25.00 96.85 16.14 82.79 0.82 82.12 17.55 0.32 8.14 28.21 44.58 0.01 0.37 0.00 18.30 0.39 55 A C C 12.16 21.87 11.98 33.28 119.81 145.43 -84.33 145.05 75.83 24.12 0.05 70.86 2.89 0.15 0.00 0.04 0.00 25.77 0.29 56 T E E 56.99 7.92 26.05 34.54 123.43 -157.71 -118.15 136.39 3.08 96.92 0.00 2.98 0.11 0.01 0.00 0.00 0.00 96.72 0.18 57 V E E 5.32 25.72 16.38 42.66 124.63 -168.21 -122.69 134.51 0.27 99.73 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 58 T E E 44.20 8.52 27.23 36.61 120.80 -164.97 -115.65 132.46 0.24 99.76 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 59 A E E 4.73 25.45 15.84 41.54 129.27 -173.93 -124.68 146.95 0.47 99.53 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.00 60 T E E 53.44 6.76 26.91 34.48 121.61 -157.87 -118.65 132.35 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 61 V E E 19.70 22.00 13.66 35.73 110.44 -125.67 -81.38 121.80 0.89 99.11 0.00 0.86 0.02 0.00 0.00 0.00 0.00 99.08 0.03 62 N E E 78.73 5.13 20.97 26.84 100.00 176.60 -92.50 -32.94 12.52 87.44 0.04 6.97 4.66 0.35 0.00 0.03 0.00 87.92 0.07 63 K E E 99.89 4.42 22.25 27.34 137.87 2.41 -150.84 150.96 13.64 86.32 0.04 6.14 6.93 0.50 0.00 0.03 0.00 86.24 0.16 64 Q E E 84.37 15.69 14.64 29.50 122.20 -146.49 -110.31 134.91 21.44 78.43 0.13 17.74 2.98 0.41 0.02 0.09 0.00 78.44 0.31 65 G E E 21.09 10.14 18.15 29.09 138.56 151.05 -152.07 174.09 24.05 75.77 0.18 20.70 2.43 0.39 0.06 0.11 0.00 75.27 1.05 66 R E E 146.12 5.47 17.77 24.88 120.37 -96.38 -105.27 139.49 21.22 78.57 0.22 17.50 3.47 0.51 0.09 0.14 0.00 76.20 2.10 67 G E E 22.26 13.95 12.70 26.63 128.63 -165.91 -111.46 170.80 38.33 61.25 0.42 27.94 9.26 1.18 0.12 0.28 0.00 60.50 0.72 68 K E E 120.44 5.22 18.74 24.79 117.38 -94.12 -94.71 143.87 38.37 60.64 0.99 30.99 5.99 0.90 0.40 0.51 0.00 60.56 0.65 69 K E E 103.14 9.49 15.68 26.03 116.19 -115.67 -85.92 137.89 25.73 73.00 1.27 22.63 2.47 0.57 0.79 0.52 0.00 72.24 0.78 70 I E E 44.13 13.45 14.15 28.80 120.06 -154.41 -110.54 131.82 9.57 89.21 1.23 8.90 0.58 0.20 0.94 0.33 0.00 88.52 0.52 71 T E E 50.56 8.30 17.96 27.93 117.49 -151.57 -104.78 129.45 6.33 92.83 0.84 5.83 0.37 0.12 0.60 0.19 0.00 92.65 0.23 72 V E E 38.53 12.56 14.99 29.07 119.68 -164.00 -111.91 130.62 7.40 91.62 0.98 6.47 0.58 0.19 0.61 0.23 0.00 91.73 0.19 73 F E E 69.65 9.18 15.88 26.88 123.00 -166.67 -116.01 137.22 10.18 88.43 1.39 8.88 0.87 0.34 0.85 0.39 0.00 88.28 0.40 74 T E E 53.00 8.50 15.07 25.29 121.13 -157.59 -113.39 135.65 25.21 72.45 2.34 21.32 2.78 0.96 1.36 0.82 0.00 72.12 0.63 75 Y C E 94.12 8.26 11.34 21.45 117.26 -150.40 -103.18 133.38 48.09 47.08 4.83 36.90 8.55 2.76 2.95 2.03 0.01 45.28 1.53 76 K C C 113.09 4.16 10.97 16.82 114.69 -149.63 -93.88 133.46 66.76 22.41 10.83 42.56 16.63 8.00 5.16 5.37 0.04 20.28 1.95 77 R C C 166.92 2.42 9.47 13.31 100.70 -116.95 -71.29 -16.37 71.05 7.23 21.72 25.93 22.18 24.57 8.17 12.22 0.09 5.34 1.51 78 R C T 181.86 1.08 9.26 10.78 103.69 44.45 -85.61 12.86 73.34 4.75 21.91 25.56 21.12 28.05 7.02 13.72 0.04 3.13 1.38 79 K C T 146.38 1.94 8.96 12.10 106.23 29.63 -91.94 66.66 78.95 3.95 17.10 18.41 21.07 40.70 4.32 11.72 0.03 2.58 1.18 80 N C T 118.33 2.42 9.86 13.67 102.89 -81.20 -82.70 57.85 83.82 8.28 7.90 24.83 19.78 39.97 1.50 6.05 0.01 6.79 1.07 81 S C C 57.88 6.38 8.70 16.84 117.84 156.12 -97.38 142.09 63.72 32.55 3.73 47.52 10.27 5.53 0.97 3.02 0.00 30.36 2.34 82 K E E 125.87 4.33 11.39 17.60 119.32 -162.56 -108.44 136.10 48.55 49.63 1.81 39.79 5.74 2.70 0.49 1.28 0.00 48.47 1.52 83 R E E 133.64 6.55 11.32 19.67 120.07 -153.15 -104.85 135.82 39.46 59.51 1.02 32.93 4.92 1.59 0.30 0.70 0.00 58.53 1.02 84 K E E 110.22 7.71 12.50 21.69 120.92 -160.95 -112.29 137.32 32.78 66.55 0.68 26.58 4.59 1.28 0.16 0.46 0.00 66.28 0.65 85 K E E 125.17 5.48 14.48 21.83 121.69 -160.56 -112.49 138.22 26.94 72.63 0.42 20.75 4.59 0.94 0.10 0.28 0.00 72.75 0.59 86 G E E 27.12 11.04 12.52 24.19 131.21 149.78 -137.82 169.90 19.51 80.24 0.25 15.80 3.04 0.43 0.08 0.16 0.00 79.93 0.57 87 H E E 102.66 7.30 16.45 25.04 123.87 -119.86 -115.44 142.41 14.48 85.39 0.13 13.14 1.05 0.17 0.05 0.08 0.00 83.09 2.41 88 R E E 110.65 11.41 14.28 26.24 118.61 -137.14 -98.45 136.43 37.83 62.08 0.09 33.74 3.46 0.25 0.03 0.07 0.00 60.32 2.14 89 Q C C 73.24 10.71 15.92 27.48 117.31 -137.07 -95.75 134.07 70.62 29.36 0.02 65.08 4.40 0.14 0.00 0.02 0.00 29.94 0.42 90 P C C 63.35 9.99 17.48 28.12 108.40 -115.52 -69.14 141.04 67.87 32.09 0.04 56.95 8.26 0.37 0.00 0.05 0.00 34.02 0.34 91 Y E E 70.53 13.26 17.64 31.22 133.77 118.38 -134.89 153.14 13.99 85.98 0.03 12.07 1.51 0.12 0.00 0.02 0.00 85.70 0.56 92 T E E 27.23 16.59 17.55 34.54 125.25 -142.19 -115.02 140.77 4.31 95.69 0.00 4.02 0.15 0.01 0.00 0.00 0.00 95.72 0.11 93 K E E 78.00 11.03 22.61 33.95 124.48 -155.99 -117.73 138.43 2.36 97.64 0.00 2.03 0.15 0.00 0.00 0.00 0.00 97.79 0.03 94 L E E 17.36 21.97 17.00 38.87 119.85 -150.53 -109.90 129.80 1.64 98.36 0.00 1.52 0.03 0.00 0.00 0.00 0.00 98.44 0.01 95 T E E 46.33 8.34 24.56 33.57 119.10 -161.17 -110.63 128.09 0.74 99.26 0.00 0.70 0.01 0.00 0.00 0.00 0.00 99.27 0.02 96 I E E 21.14 21.22 12.87 34.19 112.38 -144.21 -94.10 121.03 1.16 98.83 0.00 1.13 0.02 0.00 0.00 0.00 0.00 98.81 0.04 97 D E E 84.07 4.17 20.46 25.12 100.62 177.50 -94.10 -32.40 8.10 91.87 0.03 5.08 2.26 0.19 0.00 0.02 0.00 92.41 0.04 98 K E E 109.31 3.56 22.10 26.11 136.72 1.03 -151.74 151.41 8.08 91.87 0.06 5.76 1.64 0.24 0.00 0.04 0.00 92.25 0.06 99 I E E 43.25 20.34 10.46 29.53 119.99 -149.62 -116.40 127.33 8.89 91.08 0.03 8.25 0.47 0.06 0.01 0.02 0.00 90.31 0.89 100 N E E 87.56 4.76 17.49 23.13 120.75 -168.55 -110.63 135.18 33.31 66.63 0.06 31.65 0.87 0.21 0.02 0.04 0.00 66.10 1.11 101 A C C 70.30 7.50 14.00 22.43 106.73 -119.56 -79.17 110.75 99.61 0.39 0.00 99.56 0.10 0.01 0.00 0.00 0.00 0.31 0.01