# 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 43.17 16.04 17.24 33.19 124.68 -167.02 -116.22 138.15 98.27 1.73 0.00 98.18 0.08 0.01 0.00 0.00 0.00 1.72 0.01 1 L E E 69.03 8.99 20.24 29.98 117.31 -140.78 -99.30 129.65 9.98 90.02 0.01 10.24 0.12 0.02 0.00 0.00 0.00 89.32 0.30 2 I E E 13.68 21.09 14.64 35.93 123.28 -166.91 -117.25 135.55 1.74 98.26 0.00 1.70 0.06 0.00 0.00 0.00 0.00 98.21 0.03 3 K E E 85.39 7.32 24.12 31.88 116.78 -146.84 -103.17 126.46 0.42 99.58 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.01 4 V E E 6.84 23.40 14.66 38.40 125.90 -171.71 -121.94 139.46 0.39 99.61 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 5 K E E 89.49 6.38 22.87 29.74 115.16 -142.60 -100.80 125.26 1.85 98.14 0.01 1.70 0.08 0.01 0.00 0.00 0.00 98.07 0.14 6 T C C 15.17 18.01 12.46 30.71 124.85 -148.84 -89.93 167.69 74.45 25.48 0.07 73.38 0.75 0.12 0.01 0.04 0.00 24.80 0.90 7 L C T 94.65 8.83 14.47 24.38 91.60 -98.77 -63.97 -22.66 98.54 0.83 0.62 1.12 7.45 89.99 0.02 0.65 0.00 0.66 0.11 8 T C T 86.15 3.88 14.65 19.57 94.18 56.97 -87.05 -0.89 99.20 0.19 0.61 0.82 7.23 91.12 0.02 0.65 0.00 0.12 0.04 9 G C S 49.33 3.37 14.35 18.89 98.10 -101.13 88.64 3.96 98.96 0.69 0.35 18.25 79.37 1.50 0.03 0.26 0.00 0.37 0.20 10 K C C 105.78 4.68 14.45 20.95 118.16 133.13 -80.99 142.89 97.30 2.68 0.02 95.96 1.53 0.09 0.00 0.01 0.00 2.21 0.19 11 E E E 107.52 8.74 14.65 24.94 121.51 -141.97 -110.29 135.62 2.58 97.41 0.00 2.46 0.10 0.00 0.00 0.00 0.00 97.17 0.26 12 I E E 31.33 15.40 14.90 31.30 124.54 -171.33 -124.23 136.17 0.30 99.70 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 13 E E E 107.32 7.16 20.39 28.81 117.72 -150.51 -101.71 129.77 0.50 99.50 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.49 0.03 14 I E E 17.70 20.64 13.98 34.65 127.00 -174.34 -126.63 139.60 6.27 93.73 0.01 6.54 0.10 0.01 0.00 0.00 0.00 93.20 0.14 15 D E E 91.46 4.28 24.41 29.13 111.39 -138.52 -92.77 120.00 22.65 77.34 0.01 21.14 0.99 0.06 0.00 0.01 0.00 77.63 0.18 16 I C C 12.53 23.71 11.77 35.07 129.16 171.71 -127.74 147.05 59.51 40.47 0.02 59.19 1.51 0.04 0.01 0.01 0.00 33.94 5.30 17 E C C 97.88 3.78 24.23 27.32 115.72 -125.32 -82.77 141.64 99.10 0.88 0.02 99.12 0.22 0.03 0.00 0.01 0.00 0.51 0.12 18 P C T 49.96 17.23 13.32 30.23 91.11 -118.36 -61.79 -23.66 99.77 0.08 0.15 0.32 2.15 97.36 0.00 0.12 0.00 0.04 0.01 19 T C T 98.05 2.53 20.54 23.24 93.06 57.89 -90.20 -2.94 99.79 0.07 0.14 0.33 1.94 97.54 0.00 0.12 0.00 0.04 0.01 20 D C C 30.55 14.71 13.42 29.34 116.47 117.61 -69.58 142.66 98.62 1.28 0.10 65.47 33.25 0.22 0.02 0.07 0.00 0.61 0.36 21 K E B 85.70 5.97 24.03 30.08 121.14 -122.62 -81.75 156.35 12.95 86.96 0.08 9.53 0.20 0.01 0.07 0.00 0.00 4.14 86.05 22 V H H 10.75 24.15 13.98 38.55 90.46 -115.67 -57.80 -39.67 2.29 0.02 97.69 0.27 0.24 1.72 96.94 0.81 0.01 0.01 0.01 23 E H H 104.36 5.52 22.28 28.45 91.10 56.04 -62.53 -40.08 0.76 0.00 99.23 0.06 0.04 0.60 98.61 0.69 0.00 0.00 0.00 24 R H H 111.48 4.13 23.72 27.71 91.70 49.35 -65.25 -40.30 0.38 0.00 99.61 0.05 0.02 0.26 98.91 0.75 0.00 0.00 0.00 25 I H H 4.15 23.88 17.07 41.33 91.58 49.64 -64.22 -43.30 0.31 0.00 99.69 0.05 0.02 0.19 99.50 0.24 0.00 0.00 0.00 26 K H H 52.33 17.62 19.75 36.26 91.57 52.46 -61.85 -42.73 0.15 0.00 99.85 0.02 0.00 0.08 99.87 0.03 0.00 0.00 0.00 27 E H H 102.23 2.45 24.30 25.35 91.61 50.14 -64.08 -41.88 0.20 0.00 99.80 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 28 R H H 86.28 6.85 21.91 29.31 91.99 48.81 -65.26 -41.48 0.48 0.00 99.51 0.04 0.02 0.35 99.55 0.04 0.00 0.00 0.00 29 V H H 5.21 21.64 14.07 36.36 91.62 49.81 -64.34 -43.21 0.95 0.01 99.04 0.14 0.11 0.57 99.12 0.06 0.00 0.00 0.00 30 E H H 73.92 10.36 15.86 26.98 92.13 50.38 -63.80 -41.89 0.90 0.01 99.09 0.16 0.08 0.53 99.13 0.09 0.00 0.00 0.00 31 E H H 146.42 0.96 18.27 17.45 93.21 47.29 -67.58 -39.44 1.55 0.01 98.44 0.13 0.09 1.21 98.40 0.18 0.00 0.00 0.00 32 K H H 123.53 4.11 16.08 21.17 97.22 38.98 -78.60 -37.12 4.69 0.01 95.29 0.16 0.32 4.09 95.18 0.23 0.01 0.00 0.00 33 E H H 73.25 10.69 13.20 24.65 101.22 23.40 -104.26 -11.88 11.25 0.04 88.71 0.71 1.93 8.15 88.95 0.21 0.02 0.01 0.03 34 G C C 56.30 1.83 19.07 20.50 95.15 -120.09 74.77 17.57 99.83 0.07 0.10 68.17 13.25 18.41 0.04 0.05 0.00 0.03 0.04 35 I C C 28.19 16.45 10.07 26.95 117.42 142.93 -92.54 135.14 99.70 0.28 0.01 84.73 14.90 0.04 0.00 0.00 0.00 0.06 0.26 36 P C C 60.81 3.84 21.32 25.19 112.76 -107.16 -64.72 143.33 99.94 0.04 0.02 99.78 0.16 0.02 0.00 0.01 0.00 0.01 0.01 37 P H G 52.64 17.16 11.97 28.39 92.03 -118.29 -57.95 -35.31 7.80 0.05 92.15 0.76 0.66 4.46 0.38 93.71 0.00 0.03 0.00 38 Q H G 133.26 2.42 19.46 22.49 89.97 61.42 -69.11 -17.00 7.48 0.08 92.43 0.41 0.59 5.00 0.34 93.59 0.00 0.06 0.00 39 Q H G 82.49 8.35 18.58 27.90 96.15 55.80 -94.98 -1.73 8.38 0.26 91.35 1.35 1.06 4.17 0.35 92.86 0.00 0.21 0.01 40 Q C E 19.74 22.42 13.49 35.49 120.10 96.39 -96.03 137.17 51.64 47.96 0.40 45.68 6.16 0.31 0.11 0.31 0.00 45.88 1.56 41 R E E 93.60 9.03 26.35 35.78 129.37 -173.83 -129.97 141.02 7.68 92.28 0.04 8.02 0.17 0.02 0.02 0.01 0.00 90.89 0.86 42 L E E 6.83 24.64 17.48 42.56 116.54 -141.05 -99.18 129.37 3.25 96.73 0.02 2.71 0.32 0.01 0.00 0.01 0.00 96.88 0.06 43 I E E 35.09 10.97 22.93 35.17 125.17 -167.11 -120.65 135.52 1.09 98.89 0.02 0.92 0.11 0.02 0.01 0.01 0.00 98.86 0.08 44 Y E E 39.22 18.68 13.71 32.04 119.45 -172.86 -127.49 121.04 2.06 97.85 0.10 1.24 0.60 0.28 0.03 0.06 0.00 97.17 0.63 45 S C T 76.18 5.55 15.63 22.77 92.82 -16.23 54.73 41.21 99.39 0.32 0.29 0.38 2.65 96.51 0.01 0.22 0.00 0.21 0.03 46 G C T 60.82 1.94 15.03 17.57 94.94 -49.58 80.82 3.07 99.70 0.11 0.19 0.46 3.37 95.90 0.01 0.16 0.00 0.08 0.01 47 K E E 126.57 2.77 16.04 20.27 123.57 105.86 -111.03 141.10 4.00 95.96 0.03 2.28 1.61 0.20 0.01 0.02 0.00 94.32 1.56 48 Q E E 110.55 6.79 15.91 24.42 113.85 -115.07 -75.65 133.95 6.30 93.67 0.02 5.62 0.46 0.05 0.01 0.01 0.00 92.53 1.32 49 M C C 23.55 21.27 10.17 30.67 116.33 -130.09 -84.70 140.89 82.71 17.25 0.04 81.12 1.33 0.12 0.01 0.03 0.00 16.84 0.57 50 N C C 86.92 4.18 22.93 26.61 114.19 -139.86 -97.90 130.37 98.43 1.49 0.08 97.34 1.13 0.21 0.01 0.04 0.00 0.82 0.43 51 D C T 65.83 16.14 12.53 27.90 92.60 -131.73 -68.00 -14.93 99.25 0.29 0.45 1.67 7.28 90.31 0.05 0.41 0.00 0.17 0.11 52 E C T 146.21 1.70 18.74 20.00 94.07 61.05 -88.68 -5.07 99.41 0.27 0.32 2.11 5.60 91.68 0.03 0.33 0.00 0.21 0.04 53 K C C 71.42 9.97 14.68 26.10 120.37 97.76 -82.59 147.21 97.84 2.05 0.11 56.99 40.83 0.39 0.03 0.09 0.00 0.97 0.70 54 T E B 39.49 8.40 21.09 30.44 123.71 -126.55 -87.40 159.77 12.55 87.39 0.06 8.48 0.31 0.01 0.05 0.00 0.00 5.25 85.90 55 A H G 6.44 24.53 12.86 37.82 90.64 -110.41 -59.03 -36.40 25.61 0.32 74.07 1.49 2.24 20.94 3.97 71.07 0.00 0.21 0.09 56 A H G 61.13 8.50 18.54 27.78 91.21 60.30 -65.50 -29.19 19.62 0.09 80.29 0.47 1.06 17.69 3.62 77.07 0.00 0.06 0.02 57 D H G 102.49 2.56 20.13 22.61 92.65 56.04 -77.87 -17.59 17.45 0.10 82.45 0.97 1.69 14.15 4.27 78.83 0.00 0.06 0.03 58 Y C S 47.65 18.81 12.66 30.48 101.59 61.78 -90.15 10.51 74.88 1.70 23.43 31.79 31.86 11.97 5.77 16.63 0.01 0.81 1.15 59 K C C 149.24 2.66 22.46 25.30 98.01 -129.56 46.77 55.21 87.67 8.69 3.64 67.00 7.11 13.27 0.92 2.65 0.00 6.52 2.54 60 I C C 17.48 24.08 9.93 33.07 115.13 173.86 -91.62 129.34 67.07 32.06 0.87 64.03 1.93 0.40 0.54 0.31 0.00 17.83 14.96 61 L C C 97.72 3.93 22.00 26.30 127.49 -167.08 -116.51 151.37 84.31 14.65 1.04 80.52 2.32 1.28 0.34 0.57 0.00 11.37 3.60 62 G C T 45.39 7.28 17.78 25.78 109.01 -31.77 -41.89 137.49 90.39 8.22 1.39 2.40 8.78 80.81 0.13 1.13 0.00 5.81 0.95 63 G C T 42.14 6.17 19.73 26.58 96.78 14.77 86.12 -3.22 94.77 4.32 0.91 4.26 9.60 80.66 0.06 0.94 0.00 4.30 0.18 64 S C C 21.91 15.65 15.95 32.32 118.92 136.66 -76.76 149.57 88.11 11.74 0.15 80.90 6.19 0.33 0.03 0.13 0.00 11.86 0.56 65 V E E 51.69 11.27 23.54 35.41 120.22 -139.75 -111.61 130.47 8.74 91.24 0.02 8.49 0.34 0.04 0.01 0.02 0.00 90.61 0.50 66 L E E 9.90 24.29 18.23 42.70 121.99 -164.56 -114.22 133.06 1.25 98.75 0.01 1.29 0.05 0.01 0.00 0.00 0.00 98.59 0.06 67 H E E 63.60 10.53 26.34 37.36 117.51 -156.25 -105.08 126.47 0.76 99.24 0.01 0.76 0.03 0.00 0.00 0.00 0.00 99.18 0.02 68 L E E 11.54 23.84 17.80 41.72 120.16 -164.85 -108.73 130.62 0.93 99.06 0.01 0.92 0.03 0.00 0.00 0.00 0.00 99.02 0.02 69 V E E 46.44 10.24 23.88 34.68 122.46 -167.61 -117.33 132.06 2.27 97.72 0.02 2.18 0.08 0.01 0.00 0.01 0.00 97.62 0.09 70 L E E 40.60 17.40 16.70 33.98 120.02 -153.95 -105.03 133.85 10.93 88.90 0.17 10.20 0.61 0.11 0.06 0.07 0.00 88.50 0.45 71 A E E 46.75 8.87 17.36 27.33 115.91 -141.65 -91.88 134.20 40.57 58.44 0.99 33.80 4.98 1.29 0.26 0.63 0.00 58.26 0.79 72 L C C 90.83 8.96 12.00 22.03 114.79 -148.58 -93.08 129.93 65.17 32.73 2.11 50.43 10.30 4.29 0.53 1.62 0.00 30.95 1.89 73 R C C 161.20 3.39 11.18 16.23 114.01 -152.00 -100.32 130.74 76.47 21.36 2.17 50.54 13.38 13.02 0.55 1.75 0.00 17.84 2.91 74 G C C 59.37 1.90 10.92 14.15 111.77 -30.48 74.82 157.05 92.92 6.16 0.91 72.21 6.49 14.28 0.19 0.65 0.00 5.18 0.99 75 G C C 54.30 2.69 12.80 16.87 114.21 -38.86 90.90 -137.38 99.84 0.15 0.01 99.58 0.23 0.08 0.00 0.00 0.00 0.09 0.01