# 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 121.56 4.79 11.74 18.21 116.36 -163.60 -101.95 135.39 99.57 0.39 0.03 99.59 0.11 0.04 0.02 0.00 0.00 0.20 0.04 1 A C C 78.50 3.87 9.09 14.85 113.96 -144.90 -91.13 131.55 87.72 8.46 3.82 81.88 1.66 4.58 1.80 1.38 0.00 6.42 2.27 2 H C C 142.84 2.82 8.53 13.35 116.31 -154.57 -99.75 133.41 79.52 15.36 5.12 51.63 19.41 8.65 2.20 2.98 0.01 11.20 3.91 3 K C C 144.43 2.97 9.09 14.06 115.23 -137.07 -95.10 131.66 78.49 16.40 5.10 56.60 15.36 5.98 2.29 2.99 0.01 11.76 5.01 4 K C C 149.66 2.77 9.87 14.62 112.96 -131.45 -84.02 135.92 82.74 11.06 6.21 46.77 16.52 19.81 2.43 3.52 0.01 8.47 2.47 5 G C C 51.10 3.94 9.96 15.62 114.90 -108.55 -95.76 158.71 87.23 6.34 6.43 43.36 21.84 22.86 2.22 3.80 0.01 4.10 1.80 6 A C C 78.58 3.91 10.03 15.64 112.56 -122.18 -88.37 135.94 79.56 6.79 13.66 49.80 18.57 11.32 6.39 7.24 0.01 3.93 2.75 7 S C C 77.53 3.80 10.53 15.96 112.70 -133.45 -90.68 133.39 73.32 6.31 20.37 43.21 17.20 13.19 9.60 10.70 0.03 3.62 2.46 8 S C C 78.87 4.07 10.95 16.59 104.49 -138.17 -86.70 20.78 67.32 7.48 25.19 38.38 16.42 13.15 11.62 13.21 0.06 4.53 2.62 9 S C C 67.87 5.34 10.66 17.58 109.77 92.05 -91.21 94.01 66.83 8.85 24.32 40.48 14.40 12.28 11.92 12.30 0.05 5.61 2.96 10 R C C 153.65 4.22 11.28 17.09 106.04 71.81 -88.94 34.38 67.20 9.09 23.71 33.25 16.60 18.54 11.97 10.80 0.10 5.29 3.46 11 N C T 105.14 4.52 12.37 18.20 104.57 50.22 -90.26 50.96 79.21 4.60 16.19 26.93 21.50 32.09 7.05 7.97 0.04 2.56 1.86 12 G C C 46.01 5.81 12.98 20.01 101.96 -93.06 81.48 5.78 86.96 3.64 9.40 34.57 26.46 26.91 2.80 5.87 0.01 1.91 1.48 13 R C C 122.43 6.98 12.73 21.18 117.22 120.95 -92.85 139.48 79.59 9.05 11.36 52.39 17.11 9.82 5.14 6.22 0.02 4.61 4.69 14 D C C 78.09 8.02 12.85 22.04 111.79 -131.10 -86.09 125.67 80.53 5.61 13.86 59.00 11.65 9.57 6.05 7.95 0.00 3.27 2.50 15 S C C 68.20 7.07 13.35 21.61 101.96 -160.50 -82.03 -8.40 68.28 2.85 28.87 29.07 14.31 26.11 8.82 18.84 0.03 1.46 1.36 16 N C T 106.08 4.77 16.12 21.56 98.59 65.61 -86.35 0.87 64.55 2.59 32.86 23.46 14.53 28.15 9.51 21.68 0.06 1.31 1.31 17 A C C 38.82 13.28 13.04 26.61 111.65 106.97 -81.00 133.36 58.20 3.95 37.85 33.57 13.00 13.18 8.91 27.69 0.02 2.28 1.36 18 Q C C 91.91 9.09 18.16 27.67 112.69 -133.73 -94.99 123.11 62.90 10.42 26.67 38.33 15.19 11.13 6.80 18.74 0.02 7.55 2.23 19 R C C 103.90 12.05 19.50 31.26 120.40 -108.60 -101.99 137.47 59.19 26.91 13.90 41.98 11.46 6.91 3.88 9.47 0.02 23.07 3.21 20 L E E 44.47 17.16 18.75 35.39 122.94 -154.02 -103.70 142.21 47.15 51.33 1.52 39.28 5.84 1.44 0.67 0.82 0.00 50.13 1.81 21 G E E 12.75 14.79 22.30 36.85 142.14 153.41 -143.91 169.30 15.22 83.52 1.26 12.19 2.54 0.98 0.65 0.60 0.00 82.18 0.87 22 V E E 33.02 19.05 17.89 36.43 118.92 -83.55 -101.17 134.26 7.57 90.67 1.76 6.15 1.04 0.68 1.12 0.63 0.01 89.78 0.59 23 K E E 99.68 9.10 21.27 30.68 99.61 -170.97 -92.34 -28.27 10.75 87.12 2.13 7.16 3.15 1.12 1.08 0.90 0.00 86.08 0.51 24 R E E 88.80 10.42 19.04 30.05 134.55 16.67 -140.78 145.41 18.16 78.64 3.21 15.51 1.84 0.95 1.54 1.58 0.01 77.24 1.33 25 F C C 87.12 12.42 15.71 28.50 126.79 -169.17 -125.05 140.56 54.15 38.87 6.98 46.76 4.08 2.80 0.67 6.10 0.00 37.50 2.08 26 G C T 44.66 7.13 16.25 24.19 100.24 -8.99 59.22 69.64 89.07 3.32 7.61 1.08 5.69 83.20 0.19 7.06 0.00 2.52 0.26 27 G C T 50.43 4.97 16.33 22.27 97.08 -25.39 82.49 -0.55 91.74 1.38 6.89 1.90 7.57 82.47 0.13 6.59 0.00 1.22 0.12 28 Q C C 88.70 6.73 16.15 24.55 119.99 128.70 -84.82 145.52 88.72 11.22 0.06 75.33 12.63 0.33 0.01 0.08 0.00 11.18 0.44 29 L E E 100.62 6.71 19.80 27.57 114.53 -117.04 -80.75 133.32 10.81 89.18 0.01 10.82 0.26 0.01 0.00 0.00 0.00 85.76 3.14 30 V E E 11.63 22.68 11.70 34.12 127.40 -169.50 -121.87 145.83 2.38 97.62 0.00 2.60 0.02 0.00 0.00 0.00 0.00 92.64 4.74 31 N C C 91.14 3.25 23.94 26.83 121.48 -135.56 -91.80 153.75 70.48 29.52 0.01 71.75 0.39 0.02 0.00 0.00 0.00 27.13 0.71 32 A C T 53.81 12.88 15.05 28.09 109.27 -86.54 -59.82 134.53 99.32 0.58 0.10 0.07 1.33 98.21 0.00 0.06 0.00 0.29 0.03 33 G C T 39.69 6.45 20.65 27.85 96.27 25.13 89.57 -5.36 99.72 0.22 0.06 0.14 1.77 97.87 0.00 0.05 0.00 0.15 0.01 34 E C C 70.69 10.33 20.32 31.44 117.09 125.81 -76.09 141.33 88.91 11.06 0.04 86.29 2.32 0.07 0.00 0.03 0.00 10.89 0.40 35 I E E 46.78 16.45 21.15 37.30 110.25 -117.68 -77.37 124.15 2.16 97.83 0.00 2.31 0.04 0.00 0.00 0.00 0.00 97.06 0.59 36 I E E 7.85 23.27 21.64 45.00 100.81 175.90 -94.38 -34.18 1.61 98.39 0.00 1.02 0.47 0.02 0.00 0.00 0.00 98.48 0.01 37 V E E 7.74 22.18 23.05 45.18 138.00 4.11 -150.53 146.09 0.53 99.47 0.00 0.41 0.05 0.01 0.00 0.00 0.00 99.52 0.02 38 R E E 79.54 14.78 23.78 37.60 123.84 -162.26 -123.11 131.06 3.93 96.05 0.01 3.43 0.27 0.03 0.00 0.01 0.00 96.12 0.14 39 Q E E 38.76 17.79 17.47 34.83 117.32 -156.10 -102.94 126.73 29.53 70.25 0.21 24.90 3.50 0.67 0.04 0.19 0.00 69.90 0.81 40 R C C 124.34 7.89 18.42 27.16 117.90 -161.51 -112.38 129.91 73.53 25.49 0.98 42.00 20.11 11.95 0.11 1.06 0.00 23.31 1.46 41 G C S 38.61 5.51 17.78 24.19 125.13 14.25 103.42 -172.73 92.80 6.35 0.86 23.05 48.86 20.87 0.06 1.02 0.00 5.47 0.68 42 T C S 86.36 7.32 15.42 23.81 101.61 -65.32 -88.62 -3.41 90.42 8.36 1.22 39.22 40.62 10.86 0.10 1.43 0.00 6.77 0.99 43 H C C 116.12 5.73 19.43 25.80 106.62 68.75 -92.38 48.19 79.02 20.22 0.75 56.71 16.26 5.51 0.09 0.93 0.00 18.83 1.67 44 F C C 35.01 21.31 12.35 32.69 119.81 100.65 -102.72 132.98 53.64 46.11 0.24 46.76 5.22 0.57 0.08 0.20 0.00 37.74 9.43 45 H C C 105.35 5.89 24.20 30.63 117.65 -168.13 -115.91 124.42 63.93 36.03 0.04 60.69 2.52 0.13 0.01 0.03 0.00 34.09 2.51 46 P C C 50.68 17.75 14.85 31.62 115.24 -120.88 -67.61 147.10 75.80 23.94 0.26 70.01 4.33 1.21 0.08 0.24 0.00 21.37 2.76 47 G C C 21.26 11.46 16.55 28.71 128.83 -144.81 -98.46 -172.24 95.28 4.32 0.39 81.54 10.68 3.13 0.08 0.39 0.00 2.38 1.80 48 D C T 123.73 1.41 20.10 20.92 108.04 -62.91 -67.38 132.54 96.73 2.72 0.55 1.02 17.57 78.57 0.02 0.52 0.00 1.90 0.38 49 G C T 31.33 10.89 18.62 29.62 95.44 21.76 83.79 -1.24 96.56 3.22 0.23 2.19 14.30 79.99 0.01 0.28 0.00 3.10 0.13 50 V E E 16.68 22.59 12.76 34.91 122.96 101.55 -105.88 139.25 17.24 82.74 0.03 14.88 1.57 0.08 0.00 0.02 0.00 82.95 0.49 51 G E E 23.53 7.74 24.35 32.60 140.81 170.63 -148.71 175.23 0.98 99.02 0.00 0.85 0.05 0.00 0.00 0.00 0.00 99.05 0.05 52 R E E 120.70 11.56 17.21 29.26 122.63 -107.92 -111.05 140.89 1.72 98.27 0.00 1.69 0.05 0.00 0.00 0.00 0.00 97.92 0.33 53 G C C 22.40 12.14 12.67 25.49 125.32 -151.82 -96.95 174.62 81.12 18.81 0.07 78.93 1.26 0.20 0.01 0.05 0.00 19.04 0.51 54 G C T 62.56 1.09 16.24 16.55 95.06 -87.26 -63.04 -28.49 93.41 2.63 3.96 1.87 16.97 73.91 0.07 4.88 0.00 1.89 0.41 55 D C T 98.68 3.74 16.30 20.76 96.00 48.16 -90.33 8.84 96.28 0.21 3.51 0.85 12.15 82.16 0.04 4.62 0.00 0.12 0.06 56 D C S 59.04 12.93 16.03 29.07 94.70 -104.04 71.61 19.92 94.72 1.57 3.72 10.03 50.34 33.28 0.10 4.81 0.00 1.17 0.27 57 T E E 22.28 13.41 20.67 35.31 121.93 134.61 -93.63 144.45 45.16 54.82 0.02 44.35 0.93 0.06 0.00 0.01 0.00 53.84 0.81 58 L E E 3.54 25.37 19.94 46.21 115.65 -131.32 -93.45 131.62 0.21 99.79 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.76 0.02 59 F E E 39.22 13.42 27.48 41.42 127.47 -171.47 -122.96 142.97 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.01 60 A E E 5.24 23.80 16.19 40.70 111.51 -117.22 -76.91 128.63 4.99 95.01 0.00 5.19 0.06 0.00 0.00 0.00 0.00 94.49 0.26 61 L C S 71.78 8.25 23.11 32.26 96.17 -162.89 -85.91 -22.63 90.38 9.50 0.12 17.72 68.12 4.28 0.01 0.14 0.00 9.41 0.32 62 R C S 100.87 5.03 23.29 28.73 137.88 18.21 -140.32 161.84 90.28 9.57 0.15 2.19 81.42 7.25 0.01 0.12 0.00 8.61 0.40 63 D C C 82.79 7.14 20.73 28.51 114.25 -86.95 -65.90 142.30 90.30 9.43 0.27 50.06 32.40 6.94 0.01 0.39 0.00 9.92 0.28 64 G E E 11.36 10.89 20.50 33.41 143.41 98.82 165.08 -172.39 12.02 87.96 0.01 10.47 1.49 0.08 0.00 0.01 0.00 87.59 0.36 65 N E E 52.89 9.19 24.91 35.14 127.20 -70.33 -119.56 144.79 0.59 99.41 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.42 0.03 66 V E E 6.50 25.03 15.90 41.48 120.49 -152.29 -108.69 131.68 0.22 99.78 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 67 E E E 68.42 9.26 25.58 35.15 123.25 -168.78 -117.47 136.48 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 68 F E E 43.63 19.51 16.25 34.97 124.31 -160.63 -113.91 140.14 1.00 99.00 0.00 0.88 0.02 0.00 0.00 0.00 0.00 99.08 0.02 69 G E E 17.86 7.50 20.09 29.29 141.22 141.31 -159.17 -173.04 2.16 97.83 0.01 1.68 0.24 0.02 0.00 0.00 0.00 98.03 0.02 70 T E E 77.76 7.17 14.41 23.33 123.73 -90.12 -118.02 138.49 4.70 95.28 0.02 3.80 0.48 0.06 0.00 0.01 0.00 95.57 0.08 71 R E E 112.53 7.08 10.38 19.32 121.66 173.39 -133.61 126.74 13.11 86.70 0.19 9.08 2.77 1.11 0.03 0.16 0.00 86.39 0.46 72 R C T 204.00 0.52 12.12 11.53 93.70 -14.03 51.87 42.42 98.72 0.87 0.41 2.38 6.92 89.50 0.02 0.38 0.00 0.73 0.07 73 G C T 64.76 0.88 11.81 12.45 94.88 -48.17 79.59 2.42 99.49 0.23 0.28 1.88 6.92 90.71 0.01 0.29 0.00 0.17 0.02 74 R E E 123.54 4.66 12.39 19.07 124.89 106.64 -112.55 143.20 11.54 88.42 0.04 7.52 3.38 0.47 0.00 0.03 0.00 88.31 0.28 75 R E E 104.24 10.14 13.77 25.09 114.48 -127.09 -84.48 130.53 3.97 96.03 0.00 3.43 0.16 0.01 0.00 0.00 0.00 96.36 0.03 76 V E E 36.84 11.31 18.43 31.33 124.55 -170.95 -120.32 138.35 1.14 98.86 0.00 1.02 0.03 0.00 0.00 0.00 0.00 98.94 0.01 77 V E E 23.39 19.85 16.47 36.33 121.65 -157.54 -113.94 132.20 0.61 99.39 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.01 78 N E E 54.28 9.36 24.78 34.56 126.68 -171.82 -123.72 141.58 0.91 99.09 0.00 0.78 0.03 0.00 0.00 0.00 0.00 99.18 0.01 79 V E E 22.48 21.93 15.74 37.54 119.18 -147.86 -111.10 127.46 2.47 97.53 0.00 2.26 0.10 0.01 0.00 0.00 0.00 97.54 0.09 80 T E E 50.38 8.40 21.96 31.12 121.87 -171.32 -119.71 133.08 10.77 89.23 0.01 10.01 0.41 0.02 0.00 0.00 0.00 89.33 0.23 81 P E E 69.06 10.31 17.02 27.79 113.86 -111.76 -66.73 143.44 24.06 75.76 0.18 21.24 2.12 0.34 0.04 0.13 0.00 75.30 0.83 82 V C C 52.63 13.83 12.18 26.24 117.23 -146.13 -98.72 136.45 86.14 12.30 1.56 63.30 17.46 4.96 0.24 1.49 0.00 11.44 1.09 83 E C C 146.20 2.09 16.69 19.37 111.19 -124.00 -84.87 127.65 88.12 10.26 1.63 64.96 17.42 5.56 0.31 1.60 0.00 8.21 1.92 84 A C C 52.46 9.89 9.83 20.63 119.32 -135.56 -96.29 143.16 92.38 6.41 1.21 72.44 17.78 2.31 0.33 0.88 0.00 5.04 1.21 85 P C C 94.85 4.01 11.84 17.32 110.90 -108.21 -71.57 142.08 91.39 6.12 2.49 77.06 9.43 4.72 0.57 1.99 0.00 5.17 1.04 86 V C C 102.38 4.51 8.94 15.37 118.61 -134.54 -102.59 139.35 86.61 9.93 3.45 70.76 9.98 5.42 0.88 2.75 0.00 7.70 2.52 87 E C C 147.88 1.99 9.79 13.42 113.55 -119.22 -85.09 134.57 89.15 8.91 1.94 86.80 0.97 2.32 0.64 0.84 0.00 6.09 2.34 88 A C C 78.58 4.65 9.78 16.21 110.55 -116.50 -78.58 135.98 99.93 0.06 0.01 99.88 0.05 0.02 0.00 0.00 0.00 0.03 0.00