# 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 122.01 4.02 11.22 17.05 118.36 -159.31 -106.64 133.33 99.65 0.33 0.02 99.67 0.07 0.03 0.01 0.00 0.00 0.20 0.02 1 L C C 120.52 3.15 8.99 14.10 117.38 -150.35 -100.28 132.45 79.48 17.17 3.35 76.45 1.19 1.91 1.85 0.99 0.00 14.83 2.78 2 L C C 113.57 4.16 7.70 13.84 116.89 -148.71 -98.66 132.73 69.47 23.78 6.76 56.46 7.83 4.40 3.33 3.36 0.01 21.66 2.95 3 T C C 104.29 2.47 9.51 13.66 116.52 -155.27 -101.15 130.44 66.76 25.49 7.75 54.70 7.22 4.32 3.31 4.15 0.01 23.71 2.58 4 M C C 121.69 4.87 8.32 14.92 117.44 -161.07 -105.19 135.25 66.25 20.56 13.19 43.34 12.80 10.20 5.46 7.28 0.04 18.86 2.02 5 N C C 121.73 2.36 11.96 15.12 109.38 -143.76 -93.98 104.23 68.86 19.12 12.02 43.72 14.15 11.29 4.84 6.44 0.04 18.02 1.51 6 L C C 92.95 8.42 8.97 18.58 119.21 -159.44 -103.26 135.79 58.18 29.22 12.61 44.16 8.82 4.86 6.45 5.64 0.03 28.35 1.68 7 Q E E 116.18 4.55 13.93 19.82 120.39 -159.90 -111.34 133.49 41.15 47.81 11.04 31.86 5.96 3.42 7.14 4.01 0.02 45.61 1.97 8 L E E 92.49 9.16 12.50 22.63 117.58 -148.49 -103.34 131.58 34.07 56.02 9.91 26.30 5.10 2.96 6.94 3.32 0.02 53.26 2.10 9 F E E 107.03 7.68 14.26 23.15 121.00 -167.89 -117.87 134.34 37.24 55.27 7.49 29.42 5.12 2.48 5.67 2.44 0.02 51.98 2.88 10 A C E 50.93 10.72 12.42 23.91 117.32 -153.53 -98.89 137.09 48.68 44.84 6.48 37.76 7.07 3.30 4.41 2.38 0.02 42.80 2.26 11 H C C 114.32 6.59 13.88 21.68 115.87 -158.19 -98.20 135.49 57.26 36.50 6.24 37.26 14.71 5.94 3.45 2.98 0.07 32.54 3.05 12 K C C 130.42 5.37 13.23 19.98 114.62 -125.05 -96.24 132.69 67.85 26.01 6.14 42.24 18.32 8.16 2.63 3.51 0.04 21.63 3.48 13 K C C 138.87 4.38 12.96 18.93 110.64 -117.67 -84.18 129.65 80.32 14.68 5.00 40.50 20.71 20.03 1.35 3.50 0.01 11.66 2.24 14 G C C 46.89 6.08 12.05 19.48 116.07 11.51 -77.92 157.55 87.13 9.10 3.77 36.49 25.25 26.18 0.65 3.17 0.00 6.46 1.79 15 G C C 49.96 4.66 12.86 18.90 113.26 -97.32 -45.65 158.21 87.31 9.00 3.69 40.47 27.08 20.11 0.62 3.34 0.00 6.09 2.29 16 G C C 44.44 5.65 12.14 19.25 118.80 30.54 103.68 175.83 85.87 10.16 3.97 43.83 27.33 15.01 0.76 3.53 0.00 6.72 2.81 17 S C C 75.34 4.82 12.97 19.15 112.49 -89.02 -93.50 134.75 79.08 14.05 6.87 48.68 18.96 10.99 2.03 5.17 0.01 8.85 5.30 18 T C C 79.83 6.59 11.39 19.33 109.86 -133.43 -92.53 110.33 76.73 11.42 11.84 44.65 17.82 14.63 3.28 8.65 0.02 7.03 3.92 19 S C C 80.50 3.89 12.26 17.57 102.55 -132.09 -83.63 7.44 77.82 8.33 13.85 32.01 21.35 25.81 3.40 9.60 0.03 4.97 2.82 20 N C T 104.27 4.39 12.88 18.50 100.79 61.08 -91.60 15.76 83.28 4.57 12.15 24.85 26.21 33.24 2.74 8.53 0.02 2.53 1.86 21 G C C 45.02 5.95 12.82 20.02 102.00 -99.42 83.06 7.25 87.64 4.77 7.59 35.91 28.31 24.00 1.53 5.86 0.00 2.60 1.79 22 R C C 123.24 6.73 12.65 20.90 116.74 127.22 -94.64 141.34 77.99 11.61 10.40 49.85 17.90 10.12 3.72 6.64 0.02 6.13 5.63 23 D C C 83.95 7.26 13.42 21.78 110.16 -126.55 -86.15 125.12 78.57 8.44 12.98 56.38 12.36 9.35 4.74 8.57 0.00 5.18 3.41 24 S C C 60.39 8.71 12.60 22.16 103.21 -156.49 -82.29 6.39 59.19 4.18 36.63 32.90 12.34 15.06 8.00 27.83 0.02 2.37 1.47 25 E C G 129.45 4.14 15.67 20.82 100.94 74.71 -81.14 -1.94 52.70 4.01 43.29 19.48 13.12 21.93 9.27 32.35 0.11 2.32 1.42 26 S C G 55.23 9.17 14.83 24.80 108.51 80.42 -86.35 92.31 53.12 5.44 41.43 27.39 12.82 14.80 8.38 31.65 0.05 3.46 1.46 27 K C C 81.22 12.80 16.32 29.22 114.88 85.23 -99.24 127.10 63.75 15.33 20.92 42.68 13.70 8.31 6.64 14.07 0.02 11.64 2.94 28 R C C 97.57 12.71 20.30 32.70 120.82 -147.83 -103.70 137.50 58.74 37.19 4.08 45.57 9.21 3.12 2.08 2.32 0.02 30.17 7.52 29 L C E 35.86 18.93 19.72 37.87 121.83 -153.47 -105.89 138.98 50.31 48.83 0.86 40.40 7.77 1.63 0.31 0.59 0.00 46.69 2.59 30 G E E 12.31 16.29 22.78 38.37 139.43 144.96 -151.23 173.15 24.41 75.01 0.59 19.09 5.11 1.14 0.20 0.40 0.00 72.41 1.65 31 A E E 22.68 19.76 19.23 38.16 119.67 -89.27 -96.71 143.80 14.57 84.84 0.59 12.41 1.89 0.66 0.25 0.36 0.00 82.81 1.62 32 K E E 103.51 9.96 22.63 32.60 102.79 -163.17 -96.37 -19.56 18.09 80.88 1.03 12.52 4.47 1.73 0.40 0.58 0.01 78.03 2.25 33 S C C 31.06 13.21 18.06 31.74 131.88 15.69 -134.06 149.76 51.77 47.41 0.82 45.91 3.86 1.47 0.23 0.63 0.00 44.35 3.54 34 A C C 43.54 10.61 17.12 28.33 123.58 -139.22 -98.09 155.95 88.95 9.00 2.04 82.46 3.59 2.86 0.31 1.85 0.00 7.43 1.50 35 D C T 103.74 5.42 15.52 22.32 106.07 -58.03 -57.11 119.45 96.83 1.62 1.55 0.92 6.56 89.48 0.04 1.70 0.00 1.04 0.26 36 G C T 55.16 2.91 16.78 20.24 95.17 9.10 83.96 -2.59 98.07 0.87 1.06 1.85 7.70 88.35 0.04 1.28 0.00 0.69 0.11 37 Q C C 81.64 8.01 15.17 24.79 122.82 124.42 -94.30 149.01 86.38 13.58 0.05 78.57 7.00 0.18 0.00 0.05 0.00 13.70 0.50 38 T E E 79.35 7.17 20.58 28.64 117.40 -123.58 -92.20 136.21 8.70 91.30 0.00 8.92 0.17 0.01 0.00 0.00 0.00 88.75 2.14 39 V E E 10.25 23.62 12.43 36.04 123.63 -164.90 -115.50 138.71 1.93 98.07 0.00 2.10 0.02 0.00 0.00 0.00 0.00 95.55 2.32 40 T C C 76.33 4.00 24.49 28.61 123.92 -148.38 -102.58 153.29 60.15 39.84 0.01 60.53 0.53 0.04 0.00 0.01 0.00 37.82 1.06 41 G C T 33.42 13.33 16.05 29.33 109.38 -86.68 -59.62 136.28 98.95 0.89 0.15 0.14 2.36 96.87 0.00 0.09 0.00 0.48 0.06 42 G C T 38.96 6.60 21.39 28.83 96.70 24.29 88.36 -5.20 99.53 0.37 0.10 0.30 3.19 96.13 0.00 0.08 0.00 0.28 0.01 43 S C C 30.72 12.60 20.15 33.56 117.33 128.34 -76.35 146.40 87.79 12.16 0.04 84.20 3.28 0.11 0.00 0.04 0.00 11.78 0.58 44 I E E 41.45 17.21 22.04 38.82 110.56 -118.05 -79.60 124.08 3.39 96.60 0.01 3.36 0.10 0.01 0.00 0.00 0.00 95.57 0.95 45 L E E 8.36 23.51 22.08 45.40 100.94 175.84 -94.17 -33.69 3.06 96.94 0.00 1.84 1.15 0.06 0.00 0.00 0.00 96.91 0.03 46 Y E E 17.87 20.43 24.16 44.02 141.26 1.00 -154.47 150.33 2.34 97.63 0.03 1.80 0.43 0.11 0.01 0.03 0.00 97.53 0.10 47 R E E 80.41 14.80 23.06 36.96 122.84 -154.88 -119.50 133.41 9.87 90.06 0.08 8.39 1.19 0.22 0.02 0.06 0.00 89.81 0.31 48 Q E E 37.96 17.78 16.55 34.04 114.64 -146.56 -93.93 127.15 40.49 59.10 0.41 33.34 5.42 1.22 0.09 0.36 0.00 58.29 1.29 49 R C C 130.51 7.39 17.63 26.11 113.96 -159.17 -97.11 128.03 74.19 24.72 1.09 37.02 21.31 16.74 0.13 1.16 0.00 22.10 1.54 50 G C S 48.18 3.78 17.97 22.22 106.75 13.98 88.31 -9.11 90.38 8.86 0.76 23.33 45.26 21.50 0.05 0.93 0.00 8.19 0.73 51 T C C 61.00 12.35 13.38 25.99 119.62 93.16 -98.42 138.82 85.85 13.01 1.14 61.93 19.67 4.00 0.14 1.22 0.00 11.64 1.41 52 K C C 130.75 4.84 20.62 26.19 110.60 -141.43 -91.38 113.55 73.71 25.55 0.75 57.56 13.22 2.26 0.12 0.79 0.00 23.55 2.51 53 I C C 27.25 21.21 12.02 32.65 119.58 -155.96 -106.90 132.18 51.27 48.46 0.27 43.95 6.03 0.55 0.12 0.18 0.00 33.93 15.25 54 Y C C 120.74 5.99 22.19 28.72 117.48 -155.51 -105.10 127.37 80.80 19.12 0.07 76.15 4.29 0.34 0.02 0.06 0.00 17.14 2.00 55 P C C 64.07 13.79 14.78 28.37 112.71 -111.98 -65.53 141.40 87.76 10.99 1.25 33.29 24.50 30.31 0.17 1.22 0.00 9.12 1.39 56 G C S 33.51 7.72 18.31 26.96 129.94 71.65 124.46 -164.77 91.45 6.92 1.64 26.51 34.08 31.14 0.16 1.82 0.00 4.68 1.60 57 V C T 100.42 4.60 20.32 25.30 98.20 -47.52 -76.08 -21.07 90.83 7.53 1.64 5.68 38.48 47.58 0.10 1.58 0.00 5.43 1.16 58 N C T 51.16 14.62 17.87 32.21 97.65 40.75 -94.53 6.66 84.26 15.09 0.64 11.48 26.68 46.32 0.03 0.75 0.00 14.19 0.54 59 V E E 17.26 22.32 14.53 36.44 123.87 91.59 -109.32 137.54 14.47 85.50 0.03 12.40 1.41 0.09 0.00 0.02 0.00 85.64 0.43 60 G E E 22.15 8.30 24.18 33.12 141.85 166.92 -151.35 174.65 0.80 99.20 0.00 0.72 0.04 0.00 0.00 0.00 0.00 99.18 0.06 61 I E E 87.36 11.87 17.03 29.24 121.66 -106.40 -109.74 135.29 1.61 98.39 0.00 1.60 0.05 0.00 0.00 0.00 0.00 98.02 0.32 62 G C C 21.99 11.67 12.35 24.90 125.92 -146.05 -88.44 176.84 80.16 19.77 0.07 77.87 1.27 0.19 0.01 0.05 0.00 20.07 0.54 63 G C T 63.41 1.00 15.75 15.92 93.69 -85.06 -62.89 -28.79 94.09 2.41 3.50 1.82 16.33 75.42 0.07 4.20 0.00 1.78 0.39 64 D C T 100.21 3.23 16.05 19.96 95.45 47.90 -91.28 8.75 96.66 0.24 3.09 0.88 12.72 82.25 0.04 3.90 0.00 0.14 0.06 65 D C S 58.30 12.61 15.60 28.57 94.36 -105.75 71.41 20.82 94.25 2.50 3.25 11.42 53.47 28.50 0.10 4.16 0.00 1.99 0.36 66 T E E 23.36 12.95 20.53 34.80 121.76 136.16 -92.38 143.88 47.23 52.75 0.02 46.50 0.85 0.06 0.00 0.01 0.00 51.90 0.67 67 L E E 3.66 25.26 19.43 45.64 116.79 -129.67 -92.63 132.14 0.25 99.75 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.73 0.02 68 F E E 46.47 12.50 27.24 40.29 128.60 -170.72 -124.41 142.90 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.01 69 A E E 5.28 23.97 15.12 39.80 112.05 -115.28 -76.56 131.32 6.37 93.62 0.00 6.45 0.09 0.00 0.00 0.00 0.00 93.18 0.27 70 K C S 101.75 6.47 23.61 30.86 95.90 -163.29 -89.11 -17.43 91.56 8.36 0.09 19.29 65.94 5.76 0.00 0.11 0.00 8.65 0.25 71 V C S 52.05 7.81 21.45 30.26 135.90 31.24 -136.99 158.64 90.28 9.60 0.12 2.86 81.10 6.69 0.00 0.12 0.00 8.82 0.41 72 D C C 83.97 6.98 22.07 29.57 113.03 -95.14 -67.54 139.09 91.54 8.32 0.13 51.32 35.09 4.45 0.01 0.18 0.00 8.68 0.28 73 G E E 10.01 11.09 20.99 34.11 143.46 92.47 165.40 -172.58 21.87 78.11 0.02 18.90 2.72 0.15 0.00 0.01 0.00 77.60 0.61 74 V E E 39.98 10.45 24.66 36.46 123.43 -65.78 -115.31 137.91 0.72 99.28 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.23 0.06 75 V E E 4.64 25.40 16.51 42.76 117.85 -149.70 -103.46 129.79 0.35 99.65 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.66 0.01 76 R E E 80.62 9.13 26.21 35.68 123.11 -168.82 -117.59 135.79 0.48 99.52 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.55 0.00 77 F E E 25.16 21.90 15.07 36.63 123.22 -160.59 -112.20 137.05 1.02 98.98 0.00 0.92 0.02 0.00 0.00 0.00 0.00 99.02 0.04 78 E E E 83.35 6.24 21.06 27.99 126.81 -173.23 -125.17 142.85 1.48 98.51 0.00 1.29 0.07 0.00 0.00 0.00 0.00 98.60 0.04 79 R E E 117.99 9.61 12.15 22.86 114.20 -126.85 -87.61 127.13 8.74 91.22 0.04 7.64 0.68 0.09 0.00 0.03 0.00 91.27 0.28 80 K E E 116.14 4.76 12.30 18.59 107.99 -175.96 -107.01 22.68 45.41 54.19 0.40 33.25 7.93 3.02 0.04 0.42 0.00 54.83 0.50 81 G C T 46.09 1.86 12.92 15.07 128.10 -47.15 133.84 -176.37 68.97 28.68 2.35 10.51 26.57 33.88 0.12 2.49 0.00 25.18 1.25 82 R C T 195.13 0.86 11.00 11.74 99.84 -34.17 -64.74 -18.87 97.34 0.46 2.20 3.64 23.57 69.65 0.08 2.62 0.00 0.30 0.14 83 D C T 122.46 1.74 11.22 13.79 98.90 2.16 -94.08 14.78 96.99 1.12 1.89 6.10 29.23 61.38 0.07 2.20 0.00 0.81 0.21 84 K E E 102.39 5.61 12.58 20.03 122.29 93.74 -113.92 138.97 43.77 56.02 0.21 34.51 6.97 1.62 0.03 0.21 0.00 55.81 0.85 85 K E E 73.85 12.57 12.68 26.02 125.16 -169.38 -119.73 142.21 15.68 84.30 0.01 14.56 0.56 0.05 0.00 0.01 0.00 84.64 0.17 86 Q E E 68.12 9.16 20.66 30.69 125.46 -161.46 -120.49 141.14 2.08 97.91 0.00 1.84 0.10 0.00 0.00 0.00 0.00 98.00 0.04 87 V E E 20.84 20.43 16.28 36.73 124.17 -161.91 -119.86 135.71 0.75 99.24 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.27 0.01 88 S E E 29.15 9.83 24.60 35.28 129.86 -169.57 -123.02 149.74 1.01 98.99 0.00 0.88 0.04 0.00 0.00 0.00 0.00 99.06 0.01 89 V E E 20.92 21.70 16.36 37.95 121.14 -151.79 -115.05 131.48 2.07 97.93 0.00 1.86 0.09 0.00 0.00 0.00 0.00 97.99 0.06 90 Y E E 81.17 8.98 21.99 31.72 123.23 -171.15 -123.75 132.55 6.57 93.42 0.01 5.73 0.44 0.02 0.00 0.00 0.00 93.67 0.14 91 P E E 65.60 9.96 16.95 27.52 114.24 -112.17 -67.49 145.35 16.16 83.71 0.14 13.73 1.82 0.39 0.02 0.11 0.00 83.37 0.55 92 V C C 61.43 12.38 11.27 24.10 113.25 -129.95 -90.97 130.35 78.78 19.59 1.63 63.43 9.37 4.78 0.32 1.50 0.00 18.59 1.99 93 A C C 78.43 3.41 11.47 16.51 114.16 -123.61 -86.30 135.55 91.13 7.61 1.26 84.92 2.05 4.26 0.28 0.85 0.00 6.38 1.25 94 N C C 121.39 2.94 12.15 16.63 108.92 -110.41 -79.42 111.98 99.91 0.08 0.01 99.77 0.12 0.06 0.00 0.00 0.00 0.04 0.01