# 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 92.61 9.58 9.54 19.92 116.24 -148.84 -87.04 141.96 99.92 0.06 0.01 99.86 0.08 0.02 0.00 0.00 0.00 0.02 0.01 1 K C C 128.54 2.77 11.17 15.24 114.61 -118.73 -81.96 137.50 96.21 1.49 2.30 95.54 0.57 0.94 0.85 0.65 0.00 0.44 1.01 2 A C T 87.17 2.71 9.24 13.80 95.65 -120.28 -60.75 -29.36 66.83 1.16 32.01 8.36 9.09 47.31 1.65 32.38 0.00 0.65 0.57 3 D C T 123.14 1.11 11.37 12.79 95.98 53.11 -78.45 -3.99 68.06 0.93 31.02 7.43 9.18 49.00 1.49 31.98 0.00 0.56 0.37 4 I C G 87.22 6.55 9.82 17.94 100.82 78.56 -88.79 -5.32 59.95 6.95 33.09 28.00 17.42 15.09 2.75 29.89 0.03 3.07 3.75 5 H C C 95.02 8.32 10.09 19.89 117.54 95.24 -98.81 131.51 95.29 4.37 0.34 50.83 43.96 1.07 0.10 0.21 0.00 2.20 1.63 6 P C C 64.89 7.03 12.44 21.15 115.85 -97.72 -70.26 152.92 97.73 1.95 0.32 78.55 13.53 5.57 0.05 0.35 0.00 1.63 0.33 7 T C C 99.12 2.93 15.89 19.94 112.98 -108.69 -81.11 133.73 82.91 16.53 0.56 66.30 11.77 4.26 0.08 0.69 0.00 15.16 1.73 8 Y E E 90.19 14.56 9.11 23.05 126.23 -158.61 -119.26 145.82 46.16 53.71 0.12 41.44 3.76 0.31 0.03 0.11 0.00 51.61 2.73 9 E E E 111.81 3.83 17.34 22.07 121.53 -148.99 -110.68 141.73 21.08 78.86 0.06 18.16 2.23 0.18 0.01 0.04 0.00 78.81 0.56 10 A E E 66.35 7.14 15.27 23.74 114.92 -111.95 -75.56 138.87 14.27 85.71 0.02 13.14 0.56 0.04 0.00 0.01 0.00 86.13 0.12 11 I E E 32.07 14.93 12.33 28.19 130.22 -174.42 -129.87 149.83 4.58 95.41 0.00 4.24 0.15 0.01 0.00 0.00 0.00 95.55 0.05 12 E E E 103.90 5.38 20.06 26.32 117.55 -133.51 -103.89 130.61 0.61 99.38 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.43 0.00 13 A E E 13.22 18.44 12.94 31.75 130.35 -174.00 -130.99 149.71 0.16 99.84 0.00 0.13 0.01 0.00 0.00 0.00 0.00 99.86 0.00 14 T E E 61.65 5.62 20.53 27.04 117.28 -139.69 -106.53 126.03 0.67 99.33 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.32 0.07 15 C C C 16.93 17.43 10.44 27.91 123.35 -152.33 -89.32 165.56 55.53 44.41 0.06 54.33 0.94 0.10 0.01 0.04 0.00 43.47 1.11 16 S C T 77.03 4.68 15.17 21.08 91.49 -101.58 -64.58 -21.66 99.01 0.44 0.55 0.37 5.48 93.28 0.01 0.51 0.00 0.29 0.06 17 C C T 78.16 4.31 13.66 19.33 92.93 56.74 -88.36 -0.32 99.40 0.17 0.43 0.25 5.92 93.31 0.01 0.39 0.00 0.10 0.03 18 G C S 52.23 2.32 14.95 17.78 97.35 -101.86 88.03 5.23 98.91 0.79 0.30 15.08 82.86 1.15 0.03 0.20 0.00 0.40 0.27 19 N C C 68.52 6.75 12.17 21.05 117.95 135.85 -77.67 144.36 96.70 3.27 0.03 95.36 1.61 0.13 0.01 0.02 0.00 2.57 0.32 20 V E E 87.35 7.15 14.16 23.33 122.37 -155.05 -118.40 133.75 1.59 98.40 0.00 1.51 0.07 0.00 0.00 0.00 0.00 98.23 0.19 21 I E E 50.98 12.61 13.52 27.41 125.05 -172.50 -124.53 138.26 0.17 99.83 0.00 0.15 0.01 0.00 0.00 0.00 0.00 99.84 0.00 22 K E E 122.17 5.23 18.21 24.98 117.32 -146.93 -101.04 131.73 0.13 99.87 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 23 T E E 34.72 15.65 12.71 28.65 132.25 -174.58 -132.03 152.77 0.71 99.29 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.32 0.01 24 R E E 134.16 4.91 19.64 25.94 123.70 -146.86 -118.25 139.10 4.20 95.79 0.01 3.80 0.19 0.01 0.00 0.00 0.00 95.91 0.07 25 S E E 28.11 16.66 11.89 28.23 129.28 -149.12 -117.25 155.24 23.22 76.71 0.06 21.70 1.09 0.12 0.01 0.04 0.00 76.23 0.81 26 T C C 82.63 5.04 17.57 23.52 99.97 -144.09 -93.24 -0.81 75.05 24.74 0.21 42.23 31.81 1.85 0.03 0.22 0.00 22.48 1.38 27 L C S 66.12 10.13 10.71 22.03 117.15 94.97 -88.20 139.74 84.74 14.72 0.54 33.53 47.93 4.28 0.10 0.49 0.00 10.36 3.31 28 C C S 101.89 2.60 14.01 17.74 98.04 -156.22 -86.55 -12.32 96.12 3.68 0.20 35.96 57.26 3.17 0.02 0.23 0.00 2.86 0.50 29 K C S 132.91 1.66 16.86 18.33 128.26 50.42 -122.33 151.93 97.26 2.70 0.04 13.43 83.30 0.82 0.00 0.04 0.00 2.16 0.25 30 P C C 89.03 5.95 14.01 21.55 113.48 -88.51 -64.14 141.00 93.26 6.72 0.03 89.06 3.53 0.28 0.00 0.03 0.00 6.83 0.28 31 I E E 47.63 14.76 11.00 26.28 120.57 -153.14 -113.52 132.05 19.40 80.58 0.01 19.36 0.42 0.02 0.00 0.01 0.00 78.00 2.19 32 H E E 131.26 3.36 19.54 23.59 114.93 -149.14 -100.15 124.78 5.38 94.61 0.01 5.28 0.15 0.01 0.01 0.00 0.00 91.25 3.29 33 L E E 39.67 17.33 10.48 27.41 120.02 -166.17 -110.98 133.26 32.53 67.40 0.06 31.32 0.99 0.08 0.02 0.04 0.00 66.61 0.95 34 D C S 94.41 3.55 19.64 23.34 99.17 -154.96 -85.89 -17.21 79.55 20.32 0.14 35.36 42.91 1.16 0.02 0.13 0.00 19.68 0.75 35 V C C 56.33 10.04 14.75 25.99 126.64 30.73 -127.45 138.13 75.00 24.52 0.48 51.74 24.06 0.87 0.19 0.36 0.00 12.47 10.32 36 C C C 35.12 10.14 15.29 27.06 125.86 -151.04 -115.55 157.77 94.89 4.80 0.31 93.47 1.76 0.22 0.10 0.15 0.00 2.35 1.94 37 S C T 61.08 8.20 14.20 23.78 91.75 -115.10 -62.77 -26.81 60.29 0.41 39.30 2.30 4.81 50.37 1.69 40.43 0.00 0.23 0.18 38 E C T 134.52 2.55 17.02 20.13 91.69 62.64 -71.10 -22.07 63.81 0.15 36.05 0.61 2.73 59.66 1.20 35.66 0.00 0.08 0.06 39 C C T 53.58 8.95 13.35 23.70 99.89 41.86 -102.03 -6.13 63.65 0.57 35.78 2.32 6.54 52.43 1.62 36.51 0.00 0.30 0.27 40 H C C 49.00 11.88 9.74 22.91 115.92 98.07 -86.09 132.08 97.67 1.62 0.71 62.89 33.65 0.54 0.49 0.19 0.00 0.30 1.94 41 P C T 83.18 4.17 13.74 19.51 92.58 -139.74 -62.21 -27.35 51.59 0.22 48.20 1.95 3.29 45.10 18.66 30.66 0.02 0.11 0.21 42 F C T 130.27 4.00 12.48 17.62 93.46 58.70 -75.12 -21.51 50.47 0.30 49.24 1.60 3.29 44.28 20.08 30.24 0.05 0.15 0.29 43 Y H G 122.63 6.17 10.09 17.67 100.37 48.64 -88.71 -12.06 46.35 1.88 51.77 6.11 7.62 31.01 20.62 32.10 0.32 0.97 1.24 44 T C T 85.58 3.20 10.84 15.26 100.90 49.21 -95.81 -6.66 61.82 4.55 33.63 16.21 15.90 30.59 21.08 10.76 0.37 2.00 3.08 45 G C T 56.79 2.29 10.57 14.32 98.72 -112.27 76.90 3.69 88.48 2.51 9.01 28.16 27.24 33.78 3.31 5.07 0.01 1.24 1.19 46 K C C 153.90 1.36 10.92 13.01 109.74 103.21 -95.55 82.16 88.03 4.56 7.40 45.74 26.26 16.18 2.66 4.87 0.00 2.57 1.73 47 Q C C 120.75 4.26 8.87 15.15 114.04 89.83 -92.39 128.01 84.20 10.07 5.73 63.98 14.61 5.40 2.47 3.41 0.00 7.71 2.40 48 K C C 144.17 2.88 9.97 14.78 117.40 -165.43 -105.24 134.82 78.40 17.31 4.29 67.40 8.01 2.53 2.46 2.01 0.00 14.15 3.43 49 V C C 105.81 3.78 9.85 15.57 115.72 -141.91 -96.79 129.67 69.85 25.48 4.68 58.75 8.01 2.37 3.34 1.81 0.00 19.41 6.30 50 L C C 107.31 4.88 9.57 16.28 114.09 -155.60 -95.90 129.70 73.59 19.94 6.47 59.26 10.28 3.36 4.67 2.30 0.00 15.69 4.44 51 D C C 98.72 4.17 10.17 16.10 110.07 -156.72 -94.58 108.53 84.43 9.66 5.91 70.59 9.17 4.15 4.04 2.09 0.00 7.79 2.16 52 T C C 93.31 3.68 10.26 15.58 102.64 167.19 -93.57 11.20 75.70 3.97 20.33 34.58 21.70 19.73 16.29 4.02 0.06 2.22 1.41 53 G C T 51.14 2.64 12.07 15.62 100.96 -88.25 68.24 3.52 67.24 1.15 31.61 11.98 24.75 30.49 27.47 4.09 0.09 0.47 0.66 54 G C H 43.69 3.26 13.14 17.30 102.59 -18.36 49.26 -40.72 51.65 1.18 47.17 13.66 20.10 18.88 42.86 3.27 0.12 0.46 0.65 55 R H H 125.44 4.63 13.64 19.31 94.78 56.95 -68.67 -38.28 12.34 0.68 86.98 5.54 2.77 5.22 84.15 1.67 0.07 0.37 0.22 56 I H H 63.29 8.41 12.03 21.83 92.85 52.24 -65.84 -41.59 4.58 0.40 95.02 1.90 0.81 2.22 93.68 1.02 0.04 0.26 0.07 57 D H H 79.37 2.44 15.60 18.23 92.26 51.33 -64.54 -40.97 3.11 0.36 96.52 1.47 0.48 1.46 95.26 0.98 0.02 0.29 0.05 58 R H H 125.50 2.16 15.92 17.88 92.26 50.52 -65.21 -40.83 2.76 0.29 96.95 1.05 0.42 1.48 95.83 0.94 0.02 0.23 0.04 59 F H H 68.37 7.40 12.54 21.79 92.57 50.95 -65.07 -41.47 2.61 0.24 97.15 0.94 0.38 1.42 96.12 0.91 0.01 0.18 0.03 60 K H H 101.35 5.90 13.08 20.42 92.26 51.74 -64.21 -39.15 2.51 0.12 97.37 0.82 0.29 1.40 96.37 1.01 0.01 0.09 0.01 61 Q H H 130.27 1.26 14.75 15.47 92.60 50.86 -66.86 -37.48 4.04 0.08 95.88 0.70 0.37 2.96 94.31 1.58 0.01 0.05 0.02 62 R H H 148.37 2.41 13.76 16.72 95.41 46.50 -74.73 -36.19 6.97 0.07 92.96 0.71 0.60 5.58 91.82 1.21 0.02 0.03 0.02 63 F H H 105.12 6.54 11.43 19.34 101.99 32.46 -101.09 -8.83 20.19 0.40 79.40 3.47 4.26 13.42 77.18 1.20 0.10 0.13 0.25 64 G C C 41.45 4.73 12.66 18.74 108.24 90.54 40.94 -16.10 75.43 1.86 22.71 35.28 14.27 26.34 11.21 11.06 0.01 0.96 0.88 65 V C C 98.90 4.22 11.72 17.34 104.84 -28.27 -87.43 7.11 70.35 3.53 26.12 31.48 15.91 23.76 9.07 16.36 0.03 1.90 1.50 66 F C C 136.35 4.45 10.68 16.79 103.35 84.39 -88.07 12.07 71.88 3.61 24.51 29.26 15.78 27.88 7.83 15.65 0.04 2.00 1.56 67 G C C 48.06 4.28 11.13 16.92 109.01 18.41 86.62 10.75 81.57 3.33 15.10 36.16 19.95 26.13 4.00 10.57 0.01 1.99 1.19 68 A C C 75.79 4.00 8.76 14.60 111.45 120.13 -88.08 128.10 86.37 5.69 7.94 50.06 27.07 9.55 2.92 4.85 0.01 3.36 2.18 69 T C C 104.73 2.27 8.79 12.86 113.13 -148.85 -92.99 132.36 90.48 5.41 4.11 83.56 2.44 4.81 1.87 1.69 0.00 3.54 2.09 70 K C C 152.09 2.70 10.02 14.63 111.70 -130.34 -85.07 128.35 99.87 0.11 0.02 99.80 0.08 0.04 0.01 0.00 0.00 0.06 0.01