# 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 G C C 48.51 4.11 12.86 18.53 117.68 -140.31 94.38 -167.06 99.90 0.09 0.01 99.77 0.12 0.05 0.00 0.00 0.00 0.04 0.01 1 S C C 83.40 3.17 10.15 15.01 113.03 -111.29 -95.93 126.48 86.55 5.22 8.24 78.88 2.32 6.27 3.11 3.96 0.00 3.13 2.34 2 S C C 78.65 3.42 9.00 14.20 112.74 -165.15 -94.17 124.43 78.96 8.55 12.49 50.35 15.18 13.63 3.84 8.57 0.01 5.40 3.02 3 K C C 144.57 3.35 9.36 14.46 108.44 -163.16 -91.96 82.18 75.02 8.92 16.07 40.79 18.40 16.99 5.11 10.21 0.03 5.26 3.20 4 N C C 109.30 3.67 10.91 16.07 106.15 137.54 -93.96 70.48 79.84 5.95 14.21 35.46 23.19 22.67 4.55 8.56 0.03 3.24 2.29 5 G C C 46.78 5.32 11.31 18.01 105.99 -108.73 80.40 5.42 85.69 4.04 10.27 41.30 24.75 20.55 3.37 6.26 0.01 2.13 1.63 6 R C C 137.57 5.19 11.33 18.14 113.96 125.86 -93.70 134.64 74.74 7.32 17.95 47.93 15.18 11.73 8.17 9.62 0.02 3.92 3.44 7 D C C 96.47 4.97 11.69 18.11 108.95 -128.45 -88.51 108.01 72.94 5.39 21.68 46.98 13.62 12.63 9.23 12.26 0.02 3.16 2.11 8 S C C 67.51 6.56 11.14 19.01 107.84 115.74 -90.91 61.96 68.86 4.21 26.93 38.94 15.65 15.18 10.39 15.84 0.03 2.33 1.65 9 I C C 115.20 4.35 13.53 19.09 106.19 102.24 -89.75 44.92 69.62 4.77 25.61 34.39 19.21 17.63 10.03 14.22 0.07 2.54 1.90 10 S C C 56.16 9.07 12.43 22.53 113.70 134.06 -88.04 136.23 76.85 5.66 17.50 45.66 18.23 13.91 5.56 11.32 0.01 3.74 1.57 11 K C C 115.16 7.33 16.05 24.42 115.48 -149.11 -98.76 130.40 76.09 16.04 7.87 50.13 18.53 7.87 2.32 5.31 0.01 13.74 2.11 12 R C C 111.44 11.11 16.86 28.21 118.56 -137.84 -98.97 137.87 54.79 43.16 2.05 43.99 7.96 2.40 0.72 1.43 0.00 38.95 4.54 13 L E E 55.51 15.09 17.10 31.99 123.03 -164.58 -108.02 140.21 38.14 61.53 0.33 32.85 4.10 0.58 0.11 0.23 0.00 60.35 1.79 14 G E E 17.70 12.13 21.53 33.81 142.21 142.48 147.00 -170.25 15.81 84.02 0.17 12.96 2.75 0.40 0.05 0.12 0.00 82.85 0.86 15 V E E 41.93 17.79 16.69 33.96 119.73 -76.57 -103.02 133.18 9.36 90.41 0.22 8.13 0.96 0.27 0.08 0.14 0.00 89.54 0.87 16 K E E 109.53 7.66 20.73 28.95 100.31 -172.01 -92.46 -22.89 17.33 82.19 0.48 9.20 6.62 1.79 0.14 0.32 0.00 81.25 0.68 17 R E E 93.85 10.17 17.94 28.73 132.40 14.19 -136.11 145.63 32.14 67.25 0.62 23.65 5.85 2.44 0.20 0.36 0.00 65.76 1.74 18 S C C 49.26 11.35 14.91 26.81 127.45 -167.43 -117.44 147.49 73.51 22.03 4.46 66.17 3.63 3.09 0.26 4.60 0.00 20.04 2.20 19 G C T 49.20 5.22 15.97 22.33 101.92 -5.81 55.98 80.92 93.20 1.82 4.98 0.77 5.88 86.52 0.06 5.41 0.00 1.16 0.20 20 G C T 53.33 3.89 16.11 20.90 96.42 -12.31 82.69 -0.22 95.04 0.77 4.18 1.47 7.07 85.87 0.05 4.82 0.00 0.65 0.07 21 Q C C 86.35 7.31 15.04 24.00 119.86 127.78 -84.70 145.46 90.17 9.77 0.06 78.31 11.34 0.26 0.00 0.09 0.00 9.56 0.44 22 F E E 127.53 6.30 19.15 26.63 115.70 -124.42 -88.21 133.71 10.61 89.38 0.00 10.74 0.22 0.01 0.00 0.00 0.00 86.55 2.47 23 V E E 15.47 21.47 11.57 32.66 126.76 -169.31 -121.99 142.95 2.27 97.73 0.00 2.51 0.02 0.00 0.00 0.00 0.00 95.01 2.47 24 K C C 119.82 3.02 23.04 25.73 121.01 -131.20 -92.71 150.54 58.47 41.52 0.01 60.17 0.33 0.02 0.00 0.00 0.00 38.33 1.14 25 A C T 57.65 11.50 14.00 26.11 109.64 -85.91 -58.98 134.71 99.36 0.54 0.10 0.06 1.26 98.33 0.00 0.06 0.00 0.26 0.03 26 G C T 43.84 4.85 19.57 25.33 95.68 23.65 89.08 -6.13 99.77 0.17 0.06 0.11 1.73 97.98 0.00 0.06 0.00 0.11 0.01 27 E C C 77.02 9.10 19.34 29.33 117.74 122.94 -79.53 142.24 89.69 10.23 0.08 86.26 3.01 0.10 0.00 0.07 0.00 10.12 0.44 28 I E E 54.77 15.49 19.24 34.56 110.64 -119.16 -78.70 123.47 3.21 96.79 0.00 3.31 0.07 0.00 0.00 0.00 0.00 95.58 1.03 29 I E E 18.74 19.99 20.68 40.57 101.13 176.23 -95.76 -32.27 2.98 97.02 0.00 1.53 1.43 0.05 0.00 0.00 0.00 96.97 0.03 30 V E E 11.70 21.11 20.84 41.85 137.19 3.92 -149.17 145.78 1.57 98.41 0.02 1.18 0.32 0.08 0.00 0.02 0.00 98.31 0.08 31 R E E 93.19 12.08 23.20 34.98 122.37 -160.75 -119.85 131.66 6.06 93.89 0.04 5.17 0.65 0.13 0.01 0.03 0.00 93.79 0.22 32 Q E E 39.77 18.35 15.08 33.06 114.86 -143.37 -93.46 128.11 35.08 64.58 0.35 29.77 3.82 0.83 0.08 0.29 0.00 64.15 1.06 33 R C C 130.45 6.58 17.28 25.00 116.26 -167.30 -105.72 127.17 75.53 23.30 1.17 40.70 21.65 13.86 0.14 1.22 0.00 20.95 1.47 34 G C S 44.65 4.08 17.03 21.89 118.92 0.32 99.17 -169.45 90.68 8.19 1.12 29.37 42.81 18.46 0.10 1.28 0.00 7.07 0.90 35 T C C 74.83 10.42 12.54 23.48 113.72 -67.33 -97.41 124.73 88.01 10.19 1.80 64.48 18.00 5.33 0.25 1.85 0.00 8.16 1.92 36 K C C 144.40 2.97 18.00 21.51 107.03 -129.26 -88.92 82.36 84.22 14.40 1.39 57.73 21.92 4.57 0.25 1.30 0.00 11.62 2.60 37 F C C 64.36 16.97 10.10 26.19 120.01 85.01 -100.58 135.57 73.14 25.93 0.93 55.84 14.71 2.11 0.35 0.69 0.00 16.84 9.45 38 H C C 115.97 4.48 17.67 23.24 118.01 -153.50 -101.66 133.85 86.35 13.29 0.35 79.70 5.54 0.99 0.10 0.26 0.00 10.62 2.78 39 K C C 129.65 6.90 13.75 22.19 112.44 -109.95 -68.08 137.20 88.72 9.46 1.82 37.04 23.08 29.03 0.30 1.69 0.00 6.73 2.13 40 G C S 37.56 5.13 15.78 22.41 130.86 69.33 132.89 -173.23 92.46 5.77 1.77 21.26 38.52 32.86 0.18 1.87 0.00 3.63 1.68 41 K C T 156.07 2.09 18.53 20.52 95.80 -58.63 -75.41 -14.90 93.87 4.49 1.64 4.19 36.42 53.79 0.08 1.62 0.00 3.07 0.82 42 N C T 49.61 14.44 15.78 30.11 97.69 37.67 -97.40 9.05 90.63 8.84 0.53 9.49 28.13 52.85 0.02 0.66 0.00 8.46 0.39 43 V E E 20.49 20.34 14.06 34.21 124.73 89.06 -111.49 139.07 10.10 89.89 0.01 8.73 0.86 0.04 0.00 0.01 0.00 90.01 0.36 44 G E E 19.87 8.12 23.34 32.36 141.87 162.68 -153.55 177.23 0.49 99.51 0.00 0.43 0.02 0.00 0.00 0.00 0.00 99.53 0.02 45 L E E 74.23 12.80 16.31 29.37 122.66 -101.97 -112.92 136.89 0.99 99.00 0.00 0.99 0.02 0.00 0.00 0.00 0.00 98.77 0.22 46 G C C 20.67 10.54 12.38 24.28 126.47 -144.49 -89.23 172.97 86.11 13.86 0.03 85.65 0.54 0.09 0.00 0.02 0.00 13.25 0.44 47 R C T 197.06 0.85 14.76 14.99 91.54 -88.08 -63.56 -23.27 98.16 0.48 1.36 0.43 7.06 90.37 0.02 1.72 0.00 0.32 0.09 48 D C T 97.07 2.88 15.55 19.05 93.78 50.67 -90.40 6.77 98.69 0.08 1.23 0.31 5.84 92.17 0.01 1.61 0.00 0.04 0.02 49 Y C S 86.27 12.14 14.87 27.68 94.18 -109.14 71.25 23.00 95.24 3.07 1.69 18.74 55.87 20.05 0.07 2.23 0.00 2.64 0.40 50 T E E 23.91 11.86 20.34 33.78 119.10 142.79 -86.03 144.35 46.22 53.77 0.01 46.78 0.42 0.02 0.00 0.00 0.00 51.63 1.14 51 I E E 5.21 24.60 18.83 44.36 115.37 -127.74 -92.24 129.55 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.86 0.02 52 F E E 45.89 11.85 26.32 38.79 128.56 -172.42 -125.29 144.59 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 53 A E E 7.77 22.18 15.20 37.91 111.76 -119.22 -78.43 129.38 4.74 95.26 0.01 4.79 0.08 0.00 0.00 0.00 0.00 94.89 0.24 54 L C S 80.68 6.88 22.13 29.80 95.86 -162.52 -84.71 -23.91 89.07 9.94 0.99 20.35 56.25 11.96 0.06 1.02 0.00 9.97 0.39 55 S C S 49.84 4.83 21.97 26.96 137.37 15.82 -141.11 166.77 89.40 9.74 0.85 2.55 70.22 17.55 0.05 0.66 0.00 8.40 0.57 56 S C C 70.21 5.60 19.75 26.13 114.30 -82.70 -68.79 143.32 92.26 6.73 1.01 51.25 31.16 9.74 0.07 1.20 0.00 6.12 0.46 57 G E E 16.71 8.70 19.72 30.35 142.44 90.75 157.89 -172.07 35.74 64.19 0.08 29.76 5.54 0.61 0.01 0.08 0.00 62.83 1.17 58 K E E 92.53 7.36 23.45 31.56 124.09 -65.76 -117.25 140.36 2.24 97.76 0.00 2.13 0.10 0.00 0.00 0.00 0.00 97.47 0.29 59 V E E 8.17 24.24 14.15 38.94 119.42 -151.46 -105.18 130.46 1.06 98.94 0.00 1.05 0.02 0.00 0.00 0.00 0.00 98.92 0.02 60 E E E 69.70 7.62 24.47 32.61 121.23 -163.56 -114.15 131.74 0.74 99.26 0.00 0.69 0.01 0.00 0.00 0.00 0.00 99.29 0.01 61 F E E 38.56 19.99 13.86 33.41 123.11 -164.30 -113.63 136.74 1.51 98.49 0.00 1.37 0.04 0.00 0.00 0.00 0.00 98.54 0.04 62 K E E 95.08 5.24 19.13 25.37 131.58 173.14 -132.91 154.00 3.95 96.01 0.04 3.33 0.34 0.07 0.01 0.02 0.00 96.12 0.12 63 T E E 70.16 9.13 11.20 21.62 118.76 -134.42 -105.94 133.23 17.03 82.81 0.15 13.84 2.07 0.39 0.02 0.11 0.00 83.33 0.24 64 L E E 86.17 5.89 9.79 17.59 120.98 168.18 -126.99 125.23 27.71 70.78 1.51 15.44 7.21 6.11 0.22 1.34 0.00 68.76 0.91 65 K C T 182.12 0.45 11.63 10.83 93.64 -11.95 51.98 41.01 95.85 2.02 2.12 8.49 12.39 74.78 0.15 2.20 0.00 1.71 0.28 66 G C T 64.81 0.83 11.35 11.95 95.69 -52.09 79.55 3.54 97.35 0.83 1.83 7.65 15.03 74.43 0.11 1.97 0.00 0.67 0.14 67 R E E 119.08 5.04 10.88 18.00 123.89 110.25 -109.18 143.77 25.71 74.10 0.19 17.26 6.80 2.00 0.03 0.19 0.00 73.18 0.55 68 K E E 97.67 8.55 13.10 23.17 116.75 -132.39 -96.76 131.51 10.93 89.06 0.01 9.33 0.71 0.07 0.00 0.01 0.00 89.76 0.11 69 Y E E 70.17 10.47 16.86 28.79 127.53 -173.37 -124.99 144.82 1.73 98.27 0.00 1.46 0.08 0.01 0.00 0.00 0.00 98.43 0.02 70 V E E 29.97 16.95 15.48 33.02 122.15 -153.16 -115.89 133.36 0.53 99.47 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 71 S E E 38.56 8.86 20.85 30.63 125.80 -168.63 -120.45 142.67 1.04 98.96 0.00 0.93 0.03 0.00 0.00 0.00 0.00 99.02 0.02 72 I E E 46.24 15.75 14.29 30.47 117.24 -143.16 -104.11 127.07 7.08 92.91 0.01 7.13 0.12 0.01 0.00 0.00 0.00 92.37 0.35 73 V C C 62.27 9.77 18.17 28.67 113.51 -161.28 -98.50 123.45 96.67 3.33 0.00 96.79 0.07 0.01 0.00 0.00 0.00 3.10 0.02