# 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 112.16 5.12 9.84 16.70 115.86 -141.00 -87.13 140.32 99.92 0.07 0.02 99.82 0.10 0.04 0.01 0.00 0.00 0.03 0.01 1 S C C 80.92 2.35 9.04 12.91 112.85 -122.80 -82.40 142.13 88.87 5.02 6.11 84.98 1.35 3.59 2.60 2.37 0.00 2.32 2.79 2 R C C 179.51 1.94 8.08 11.45 100.24 -138.29 -79.61 -8.88 71.53 7.67 20.79 42.14 15.64 14.46 4.69 15.65 0.02 4.48 2.93 3 E C C 144.46 1.82 8.53 11.82 107.18 77.53 -82.42 63.20 68.30 8.96 22.74 34.56 16.87 18.68 4.51 17.28 0.03 5.78 2.30 4 G C C 54.23 2.48 9.44 13.32 107.44 62.20 -85.14 66.40 71.46 10.25 18.29 42.87 14.07 15.46 3.83 14.31 0.03 6.99 2.45 5 F C C 135.68 4.68 7.66 14.23 115.52 123.47 -94.43 133.13 77.59 17.48 4.93 59.70 11.97 4.98 1.98 3.13 0.01 11.12 7.11 6 V C C 113.42 2.01 10.65 14.18 118.87 -160.82 -111.24 133.97 80.46 18.26 1.28 65.86 12.36 1.70 0.65 0.70 0.00 10.66 8.06 7 A C C 76.31 4.11 8.86 15.06 115.78 -113.14 -74.49 142.76 94.59 5.07 0.34 81.71 12.09 1.00 0.12 0.21 0.00 3.70 1.17 8 P C C 95.50 3.89 8.88 14.72 112.42 -103.81 -66.97 146.48 94.31 2.74 2.95 75.04 8.63 10.63 0.79 2.06 0.00 1.84 1.00 9 S C C 93.27 1.44 9.11 11.77 111.17 -140.43 -93.87 121.61 87.97 5.93 6.10 53.47 17.80 16.73 1.84 4.14 0.00 3.02 3.00 10 G C C 60.19 1.67 8.77 11.77 111.81 -124.07 -99.22 135.23 81.43 5.90 12.67 39.99 25.75 16.44 5.12 7.01 0.02 3.01 2.66 11 T C C 105.27 1.98 8.72 12.23 111.10 -132.10 -93.64 130.29 76.57 5.41 18.03 44.09 18.28 14.74 9.32 8.27 0.01 3.07 2.22 12 D C C 110.14 2.32 9.23 13.18 110.30 -122.97 -89.88 123.02 74.45 5.67 19.89 48.84 13.04 12.56 11.92 7.87 0.01 3.37 2.38 13 L C C 116.33 3.52 8.54 13.81 105.76 -154.47 -87.37 44.39 66.10 6.21 27.70 42.31 12.33 11.68 18.15 9.32 0.04 3.64 2.52 14 A C C 76.94 2.82 9.91 14.20 108.49 116.82 -84.07 106.86 63.48 6.50 30.02 41.32 11.20 11.19 19.88 9.94 0.04 3.89 2.53 15 A C C 78.22 3.16 9.84 14.55 107.27 53.90 -81.79 87.24 60.17 7.06 32.77 36.64 11.65 12.62 20.54 11.64 0.08 4.19 2.65 16 A C C 77.28 3.46 9.50 14.53 106.30 65.56 -82.82 70.96 63.69 7.08 29.23 38.01 11.84 14.44 17.39 11.32 0.07 4.15 2.77 17 A C C 78.07 3.44 9.06 14.21 106.58 68.80 -87.18 90.08 70.06 7.14 22.79 41.37 12.63 16.44 12.18 10.24 0.05 4.00 3.10 18 S C C 87.28 2.14 9.61 13.29 109.86 68.61 -89.77 119.95 80.03 5.94 14.03 34.90 17.02 29.57 5.99 6.89 0.03 3.23 2.36 19 G C C 57.64 2.22 10.69 14.10 107.88 4.36 83.97 6.73 87.43 6.05 6.52 34.88 24.54 29.11 1.83 4.22 0.01 3.60 1.81 20 V C C 103.64 3.64 9.13 14.60 114.51 134.60 -94.27 131.68 84.13 12.17 3.71 50.08 26.37 7.83 1.42 2.35 0.01 6.08 5.86 21 A C C 73.41 3.86 10.00 15.70 115.62 -135.74 -92.34 136.03 89.85 7.92 2.23 61.49 25.22 3.34 0.91 1.36 0.00 4.78 2.90 22 P C C 95.14 4.28 10.23 16.31 108.89 -116.00 -70.50 145.52 88.17 5.12 6.71 66.62 12.88 8.64 1.96 4.77 0.00 3.46 1.69 23 N C C 111.34 3.65 11.08 16.44 109.65 -115.23 -87.18 114.47 79.42 6.86 13.72 56.38 12.32 10.46 3.38 10.65 0.00 4.36 2.44 24 K C C 127.30 5.49 10.98 18.11 110.74 -149.19 -89.50 122.89 72.26 8.68 19.07 44.81 15.11 12.67 4.17 15.01 0.02 5.62 2.60 25 H C C 120.04 6.03 11.50 19.02 111.83 -152.21 -90.49 116.54 71.53 10.08 18.39 44.02 15.05 12.95 4.22 14.18 0.02 6.74 2.81 26 Y C C 142.47 5.47 13.28 20.24 111.63 -163.14 -94.85 125.22 77.04 12.54 10.43 49.26 17.02 11.47 2.83 7.48 0.02 9.05 2.87 27 G C C 38.28 7.51 15.05 23.47 114.02 -99.21 83.50 148.20 78.42 19.70 1.88 53.45 18.31 6.42 0.33 1.65 0.00 18.32 1.52 28 V E E 43.43 13.30 14.02 28.22 124.61 -98.52 -114.86 140.91 43.73 56.10 0.17 38.73 3.79 0.39 0.03 0.15 0.00 56.14 0.78 29 K E E 104.66 7.71 20.13 28.60 119.12 -142.75 -104.39 130.91 6.44 93.55 0.01 6.04 0.30 0.02 0.00 0.01 0.00 93.45 0.17 30 Y E E 25.67 19.29 15.24 34.59 128.24 -173.01 -124.67 145.03 0.67 99.33 0.00 0.58 0.05 0.00 0.00 0.00 0.00 99.34 0.03 31 T E E 51.98 7.56 22.90 31.25 117.51 -136.73 -105.03 129.60 1.25 98.75 0.00 1.17 0.05 0.00 0.00 0.00 0.00 98.53 0.24 32 C C C 9.73 19.13 12.62 32.87 109.18 -123.93 -74.28 124.36 65.73 34.25 0.03 65.76 0.59 0.05 0.00 0.02 0.00 32.93 0.66 33 G C T 32.85 7.56 18.12 27.18 94.18 -153.47 -70.08 -26.90 99.11 0.23 0.66 0.85 9.95 88.18 0.01 0.79 0.00 0.16 0.05 34 A C T 66.41 5.05 17.06 22.97 99.02 45.63 -83.07 -39.08 99.19 0.13 0.68 0.19 5.72 93.34 0.01 0.65 0.00 0.06 0.04 35 C C T 62.85 5.62 14.34 21.43 101.18 19.31 -106.46 -9.93 99.11 0.27 0.62 0.78 7.90 90.44 0.02 0.65 0.00 0.14 0.07 36 A C C 80.62 4.06 14.34 20.11 94.45 -124.16 67.91 19.54 99.16 0.71 0.13 82.08 9.52 7.51 0.03 0.12 0.00 0.44 0.30 37 H C C 91.32 5.54 14.46 21.82 118.28 147.40 -80.43 145.16 95.07 4.91 0.02 92.42 2.78 0.11 0.00 0.02 0.00 4.30 0.36 38 N E E 107.58 5.22 15.53 22.80 117.41 -126.99 -94.33 133.92 4.70 95.29 0.01 4.65 0.23 0.01 0.00 0.00 0.00 92.87 2.22 39 F E E 55.09 14.12 12.68 27.50 131.36 174.46 -136.74 147.85 2.71 97.29 0.00 2.51 0.10 0.00 0.00 0.00 0.00 97.27 0.12 40 S E E 76.77 3.44 20.39 24.45 115.96 -130.49 -95.06 131.05 10.32 89.67 0.01 9.52 0.56 0.03 0.00 0.01 0.00 89.47 0.41 41 L C C 26.55 19.59 10.22 28.97 129.11 -175.39 -125.89 147.13 60.07 39.86 0.07 58.00 1.76 0.11 0.02 0.05 0.00 37.53 2.52 42 N C C 89.35 2.90 20.48 22.78 122.17 -140.74 -97.94 154.22 89.17 10.73 0.10 88.34 1.68 0.18 0.03 0.05 0.00 6.00 3.72 43 K C T 117.52 9.62 12.10 22.45 97.37 -97.99 -62.07 -25.59 98.88 0.86 0.26 2.23 10.50 86.20 0.02 0.24 0.00 0.67 0.15 44 S C T 91.95 1.71 16.13 17.67 95.05 38.73 -82.25 0.19 99.26 0.58 0.16 2.02 10.93 86.25 0.01 0.19 0.00 0.54 0.06 45 D C S 67.91 6.89 14.01 22.67 116.04 111.95 -86.05 136.01 96.24 3.71 0.05 42.80 53.95 0.24 0.01 0.04 0.00 1.74 1.23 46 P C C 70.29 7.66 16.98 25.70 114.44 -110.77 -67.72 144.06 93.81 6.15 0.04 91.56 2.38 0.24 0.00 0.03 0.00 4.86 0.92 47 V C C 23.52 18.78 14.05 32.81 121.21 -147.74 -110.77 135.35 74.87 25.11 0.03 66.54 7.73 0.28 0.00 0.03 0.00 23.98 1.43 48 R E B 110.80 7.03 22.42 30.09 125.09 -157.08 -117.10 140.93 8.60 91.36 0.04 8.81 0.31 0.02 0.04 0.01 0.00 31.76 59.04 49 C C C 10.49 20.34 10.99 31.75 108.92 -116.12 -74.05 124.99 88.33 11.64 0.03 90.31 0.31 0.03 0.01 0.01 0.00 7.31 2.02 50 K C T 135.64 3.59 17.46 22.19 93.26 -152.08 -68.91 -28.30 99.74 0.10 0.16 1.04 4.85 93.86 0.01 0.15 0.00 0.07 0.03 51 E C T 127.46 2.95 16.25 19.96 97.76 47.29 -78.84 -37.76 99.81 0.06 0.13 0.09 2.31 97.48 0.00 0.08 0.00 0.03 0.01 52 C C T 55.31 7.37 13.89 22.86 102.35 21.33 -108.00 -11.82 99.79 0.08 0.12 0.40 2.86 96.61 0.00 0.08 0.00 0.04 0.02 53 G C C 40.06 5.08 16.87 23.39 94.95 -118.93 81.18 8.35 98.39 1.53 0.08 89.31 6.35 2.72 0.02 0.07 0.00 0.86 0.67 54 H C C 56.64 11.38 14.98 27.73 119.79 142.29 -77.08 151.40 91.58 8.40 0.02 89.18 2.80 0.09 0.01 0.01 0.00 6.94 0.97 55 R E E 87.65 10.40 21.09 31.96 115.85 -113.28 -84.79 135.67 3.85 96.13 0.02 3.81 0.19 0.01 0.01 0.00 0.00 84.85 11.13 56 V E E 16.87 19.77 17.34 37.21 125.64 -164.40 -118.55 139.23 15.93 84.04 0.03 15.29 0.39 0.03 0.01 0.02 0.00 84.08 0.18 57 I E E 35.72 13.12 20.59 34.78 121.06 -158.44 -111.20 135.32 8.04 91.91 0.06 7.70 0.47 0.06 0.03 0.03 0.00 91.30 0.41 58 Y E E 75.14 13.25 17.57 31.33 125.43 -161.48 -117.26 140.59 8.42 91.53 0.05 7.91 0.43 0.06 0.02 0.03 0.00 89.22 2.34 59 K E E 86.85 9.64 14.95 25.76 120.39 -149.90 -106.99 136.64 44.52 55.13 0.35 41.14 2.17 0.36 0.11 0.23 0.00 54.26 1.72 60 A C C 65.27 5.12 13.92 20.39 113.64 -115.43 -73.63 146.01 80.93 17.34 1.73 56.82 19.04 4.84 0.28 1.53 0.00 16.38 1.10 61 R C C 158.98 3.81 9.79 15.68 113.16 -105.36 -79.39 134.58 88.60 9.89 1.51 65.53 17.17 5.90 0.31 1.38 0.00 7.93 1.77 62 T C C 80.39 4.54 7.55 14.09 121.97 -161.57 -109.18 150.56 90.76 8.24 0.99 80.87 7.69 2.11 0.35 0.66 0.00 5.90 2.43 63 K C C 180.83 0.51 9.08 9.19 99.53 -137.69 -85.09 -3.02 93.18 5.80 1.02 61.14 28.96 3.40 0.51 0.58 0.00 4.08 1.33 64 R C C 176.19 1.07 7.60 9.88 119.50 93.07 -100.18 140.75 91.26 7.44 1.30 63.75 24.69 3.04 0.80 0.62 0.00 5.83 1.29 65 M C C 149.00 1.54 6.72 10.14 115.57 -126.17 -88.81 134.18 86.42 12.14 1.44 78.91 5.61 1.65 0.90 0.61 0.00 10.50 1.81 66 I C C 126.87 2.20 6.93 11.11 118.93 -154.36 -107.00 133.72 80.26 17.83 1.91 73.63 4.91 1.52 1.27 0.72 0.00 15.08 2.88 67 Q C C 145.83 1.34 7.51 10.49 117.44 -151.94 -104.68 131.38 78.84 18.79 2.37 72.15 4.83 1.82 1.51 0.93 0.00 16.60 2.17 68 F C C 153.09 2.39 6.33 10.80 117.46 -158.27 -107.47 135.34 79.34 15.97 4.69 66.05 8.62 4.41 2.43 2.29 0.00 14.28 1.92 69 D C C 123.98 0.97 7.75 9.76 114.64 -147.43 -95.53 129.40 80.72 13.38 5.90 61.18 10.54 8.75 2.78 3.13 0.01 11.68 1.93 70 A C C 85.20 2.71 5.81 10.49 112.77 -149.21 -94.60 128.89 86.92 8.63 4.45 80.15 1.87 5.43 2.27 1.57 0.00 6.88 1.82 71 R C C 173.98 1.91 9.78 13.24 114.75 -157.86 -100.65 129.27 99.48 0.46 0.06 99.37 0.14 0.09 0.03 0.01 0.00 0.32 0.04