# 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 81.66 11.00 13.20 24.78 120.34 139.90 -97.70 142.62 99.94 0.05 0.01 99.81 0.12 0.03 0.00 0.00 0.00 0.02 0.01 1 D C C 78.75 4.67 18.21 23.34 113.80 -126.13 -85.56 130.24 95.66 0.67 3.68 94.68 0.59 1.02 2.68 0.36 0.00 0.19 0.48 2 A H G 29.68 18.60 11.92 29.85 92.81 -130.37 -61.43 -31.62 15.76 0.27 83.97 3.65 1.97 9.05 38.90 46.17 0.01 0.17 0.08 3 R H G 118.84 9.87 16.72 27.18 90.93 62.65 -66.71 -24.10 11.13 0.22 88.65 1.69 1.21 7.25 41.25 48.40 0.01 0.15 0.05 4 D H G 80.45 5.53 20.33 26.30 93.08 60.18 -77.14 -18.53 11.16 0.40 88.44 2.55 1.60 6.30 40.81 48.38 0.01 0.29 0.07 5 I H H 27.16 18.40 16.75 34.75 96.96 62.22 -79.18 -29.08 31.68 7.21 61.10 6.91 7.26 17.58 39.04 21.16 1.42 4.75 1.88 6 I E E 18.56 22.34 14.57 36.49 111.31 71.66 -92.81 111.92 23.02 67.31 9.67 15.22 5.40 3.10 8.53 2.60 0.23 40.17 24.76 7 K C E 105.88 7.94 21.01 29.35 100.38 171.28 -89.96 -27.89 54.58 43.88 1.54 37.59 15.92 1.93 1.13 0.67 0.01 39.12 3.62 8 R C S 125.74 6.07 22.52 29.30 125.82 6.09 -136.51 131.63 63.47 36.38 0.15 27.44 36.48 0.72 0.04 0.10 0.00 34.28 0.94 9 P C C 39.03 19.36 15.82 34.25 115.02 -112.80 -68.17 146.37 68.93 30.83 0.24 65.30 2.82 0.43 0.09 0.15 0.00 29.20 2.01 10 V C C 43.19 13.62 20.54 34.50 112.73 -133.56 -94.43 123.00 68.30 31.29 0.41 61.39 5.63 0.55 0.26 0.22 0.00 17.72 14.24 11 V C C 48.65 16.74 15.84 32.25 118.06 -159.70 -103.40 126.66 86.55 12.99 0.46 78.95 6.79 0.61 0.25 0.21 0.00 9.42 3.76 12 T C C 45.52 8.52 16.24 26.14 130.12 161.85 -119.06 173.97 90.71 4.71 4.58 63.86 24.55 2.43 3.80 1.04 0.00 2.28 2.05 13 E H H 146.31 1.99 16.19 18.83 91.22 -95.07 -60.35 -35.56 42.33 0.65 57.02 7.14 12.18 23.94 43.70 12.16 0.18 0.29 0.41 14 E H H 114.13 4.15 16.99 22.01 92.62 53.62 -68.92 -32.01 41.46 0.69 57.85 8.66 7.86 24.96 44.36 13.32 0.12 0.35 0.38 15 S H H 12.71 19.52 10.99 29.89 95.35 54.54 -75.71 -23.79 31.34 1.16 67.50 14.89 5.61 11.60 51.66 15.06 0.06 0.67 0.44 16 T H H 66.51 6.83 16.67 24.65 93.17 73.38 -63.76 -39.49 19.83 1.05 79.12 10.56 3.77 6.91 67.23 10.50 0.06 0.67 0.30 17 S H H 65.23 2.06 19.30 20.32 92.53 53.09 -65.75 -39.28 19.74 1.68 78.58 7.98 3.73 9.38 66.58 10.53 0.14 1.26 0.40 18 I H H 35.95 12.87 13.71 27.56 93.08 50.50 -68.37 -37.69 18.87 2.41 78.72 8.62 3.49 8.48 66.67 10.14 0.17 1.84 0.57 19 L H H 55.07 14.75 12.25 26.74 93.04 55.88 -65.65 -39.13 22.45 1.70 75.85 10.24 3.81 9.82 65.11 9.14 0.13 1.27 0.48 20 D H H 116.92 1.39 16.47 17.39 92.72 55.89 -68.03 -26.99 34.42 1.75 63.84 7.85 5.19 21.69 53.97 9.19 0.26 1.18 0.66 21 D C T 93.97 3.17 15.12 19.06 95.80 49.85 -89.89 2.87 80.04 0.29 19.67 4.29 12.43 63.28 13.96 5.64 0.01 0.13 0.27 22 K C T 125.13 7.95 15.61 24.73 95.12 -116.14 61.26 32.90 98.14 0.31 1.55 9.71 11.93 76.77 0.57 0.74 0.00 0.21 0.08 23 K C C 73.77 11.58 17.98 30.08 124.01 137.45 -106.76 145.67 74.52 25.32 0.16 61.76 11.17 0.56 0.05 0.13 0.00 25.17 1.18 24 Y E E 34.60 18.63 19.32 37.73 118.82 -130.19 -99.53 136.22 22.49 77.47 0.04 21.46 0.69 0.06 0.01 0.02 0.00 77.42 0.33 25 T E E 24.18 16.71 23.27 39.74 129.51 -167.83 -125.86 143.23 2.42 97.57 0.00 2.38 0.05 0.00 0.00 0.00 0.00 97.50 0.06 26 F E E 12.11 22.44 20.61 42.71 129.42 -173.32 -130.61 142.81 0.38 99.62 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 27 E E E 70.24 11.18 26.38 37.86 115.60 -136.20 -96.90 128.15 0.36 99.64 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.01 28 V E E 7.17 24.21 15.71 40.05 132.35 -173.76 -131.64 150.18 4.29 95.70 0.00 4.37 0.05 0.00 0.00 0.00 0.00 95.36 0.22 29 D C C 50.81 8.61 22.61 32.05 109.75 -105.77 -72.46 129.21 61.71 38.24 0.06 61.99 0.46 0.05 0.01 0.05 0.00 36.96 0.48 30 T C T 58.57 14.85 15.61 30.58 91.54 -139.01 -65.58 -20.76 97.54 0.92 1.54 0.73 4.53 92.50 0.04 1.50 0.00 0.61 0.09 31 R C T 164.57 2.07 21.42 23.21 93.27 60.45 -87.23 -3.48 98.06 0.50 1.43 0.78 3.68 93.65 0.03 1.48 0.00 0.34 0.04 32 A C C 10.64 20.87 9.94 30.67 117.09 118.13 -69.53 142.37 98.17 1.46 0.36 65.42 32.66 0.33 0.11 0.21 0.00 0.61 0.66 33 T C C 66.10 3.67 24.16 26.85 125.51 -137.65 -94.74 164.81 92.62 7.17 0.21 92.45 0.73 0.06 0.14 0.02 0.00 0.92 5.69 34 K H H 89.01 15.39 14.53 29.42 91.02 -104.91 -58.05 -37.92 2.52 0.01 97.47 0.26 0.33 1.76 97.41 0.24 0.00 0.00 0.00 35 T H H 86.10 2.37 22.20 23.71 91.73 53.02 -64.38 -40.37 1.74 0.00 98.26 0.14 0.15 1.36 98.13 0.22 0.00 0.00 0.00 36 Q H H 63.80 9.40 20.76 30.75 91.97 49.27 -65.58 -40.74 0.45 0.00 99.55 0.07 0.04 0.29 99.45 0.16 0.00 0.00 0.00 37 V H H 1.41 27.16 15.54 43.63 91.18 49.71 -63.64 -43.33 0.10 0.00 99.90 0.01 0.01 0.05 99.91 0.02 0.00 0.00 0.00 38 K H H 74.02 14.38 21.94 35.29 91.26 51.65 -62.03 -42.49 0.06 0.00 99.94 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 39 Y H H 126.27 2.63 26.43 27.98 91.72 49.56 -64.29 -41.92 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 40 A H H 8.18 16.44 20.74 38.08 91.49 50.22 -63.71 -43.12 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 41 I H H 2.46 26.29 17.36 44.16 91.68 49.18 -64.25 -43.24 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 42 E H H 78.62 10.09 19.93 30.31 91.93 50.72 -63.84 -41.17 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 43 E H H 118.23 3.07 22.11 24.93 92.68 48.51 -67.55 -39.26 0.24 0.00 99.76 0.01 0.01 0.22 99.72 0.04 0.00 0.00 0.00 44 I H H 35.06 16.75 17.31 33.70 98.34 38.79 -81.39 -39.05 1.23 0.00 98.77 0.02 0.04 1.20 98.68 0.07 0.00 0.00 0.00 45 F H H 25.56 19.34 14.79 34.19 103.51 25.13 -108.94 -1.37 12.29 0.05 87.67 0.70 1.56 9.47 87.98 0.21 0.02 0.01 0.03 46 D C T 114.46 2.19 21.57 23.65 94.61 -124.22 57.93 42.43 99.67 0.13 0.21 25.14 15.43 59.15 0.08 0.09 0.00 0.07 0.03 47 V C C 17.56 20.25 11.76 31.97 129.26 133.16 -122.13 148.92 95.64 4.31 0.04 80.14 15.39 0.28 0.01 0.03 0.00 3.75 0.39 48 K C C 122.76 3.40 24.70 28.00 114.26 -130.83 -92.57 127.63 84.98 15.00 0.02 84.48 0.76 0.06 0.00 0.01 0.00 14.40 0.28 49 V E E 18.18 23.59 11.21 34.28 112.08 -141.27 -87.83 123.81 17.32 82.66 0.03 18.29 0.22 0.02 0.01 0.01 0.00 80.68 0.78 50 A E E 57.60 4.83 21.57 26.88 97.80 -173.03 -82.81 -36.04 18.05 81.93 0.02 9.56 8.42 0.17 0.00 0.02 0.00 81.74 0.10 51 K E E 97.68 4.49 23.89 29.19 139.40 -1.89 -154.15 150.13 2.53 97.47 0.01 1.94 0.31 0.02 0.00 0.00 0.00 97.70 0.03 52 V E E 26.58 23.36 12.26 34.68 124.81 -163.78 -129.47 131.28 1.12 98.88 0.00 0.99 0.04 0.00 0.00 0.00 0.00 98.95 0.01 53 N E E 63.60 6.75 24.59 31.51 121.76 -169.85 -119.76 135.16 1.13 98.86 0.00 0.91 0.07 0.00 0.00 0.00 0.00 99.01 0.01 54 V E E 44.09 19.65 14.11 32.86 124.47 -164.32 -122.09 133.27 0.79 99.21 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.23 0.01 55 M E E 71.00 8.01 20.04 29.12 126.62 -172.88 -124.66 140.07 0.65 99.35 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.38 0.02 56 N E E 77.22 11.05 15.43 27.31 118.19 -150.11 -103.80 128.25 2.51 97.49 0.00 2.07 0.20 0.01 0.00 0.00 0.00 97.66 0.05 57 Y E E 82.83 10.20 14.17 25.87 124.01 -172.80 -120.35 138.39 16.19 83.77 0.04 14.87 0.92 0.09 0.01 0.02 0.00 83.50 0.59 58 K E E 143.95 2.83 16.56 20.60 113.34 -126.67 -87.86 132.33 43.79 56.07 0.14 37.27 4.29 0.66 0.02 0.12 0.00 57.17 0.48 59 G E E 26.72 12.61 9.79 22.45 128.02 -139.64 -103.46 168.81 48.54 51.31 0.15 37.40 8.84 1.18 0.02 0.14 0.00 51.89 0.53 60 K E E 135.33 2.50 16.00 19.22 121.11 -103.14 -107.67 144.02 22.27 77.61 0.12 20.17 1.69 0.24 0.03 0.07 0.00 77.02 0.77 61 L E E 97.92 7.69 9.87 19.15 116.21 -122.06 -87.12 134.18 11.49 88.45 0.06 10.78 0.55 0.09 0.02 0.03 0.00 88.10 0.43 62 K E E 108.49 4.42 11.31 17.80 123.63 -169.69 -119.87 142.03 5.78 94.16 0.06 5.01 0.55 0.12 0.02 0.03 0.00 94.06 0.21 63 R E E 164.78 2.59 8.95 13.73 115.50 -132.37 -94.59 127.73 8.26 91.68 0.06 7.04 0.77 0.16 0.02 0.03 0.00 91.54 0.44 64 M E E 118.58 2.73 8.00 12.69 114.83 -177.73 -124.01 107.97 27.21 72.58 0.21 22.48 3.35 0.81 0.06 0.15 0.00 72.34 0.81 65 G C T 65.66 0.35 10.61 9.53 109.89 -52.56 64.09 -129.16 98.18 1.31 0.52 8.87 25.23 64.00 0.04 0.56 0.00 1.15 0.16 66 R C T 207.04 0.37 9.41 8.75 96.97 -18.34 -88.61 -4.12 98.37 1.09 0.54 8.65 25.50 64.09 0.04 0.61 0.00 0.97 0.14 67 Y E E 142.27 2.95 8.75 13.74 122.45 81.69 -109.98 142.49 23.91 75.91 0.18 16.96 6.83 1.55 0.04 0.16 0.00 73.14 1.32 68 A E E 71.01 4.58 9.67 16.55 123.37 -162.12 -115.13 144.11 12.51 87.45 0.05 10.46 1.19 0.22 0.01 0.03 0.00 87.73 0.36 69 G E E 30.32 4.67 14.50 20.80 138.25 141.66 -166.63 -174.58 8.21 91.75 0.03 6.46 1.28 0.21 0.01 0.02 0.00 91.85 0.18 70 Y E E 132.09 6.63 12.78 21.17 121.99 -85.41 -109.09 141.34 8.09 91.88 0.02 7.35 0.48 0.05 0.01 0.01 0.00 89.83 2.26 71 T C C 49.88 10.38 11.55 23.25 123.68 -157.70 -111.11 150.59 52.57 47.35 0.08 49.10 2.03 0.20 0.02 0.06 0.00 47.75 0.84 72 N C C 104.35 4.34 16.52 21.84 109.43 -111.71 -78.17 130.47 73.07 26.85 0.08 58.35 11.67 0.84 0.01 0.09 0.00 28.60 0.43 73 K C C 94.68 10.35 14.12 25.08 115.81 -134.75 -93.89 133.53 70.62 29.30 0.08 56.97 10.86 0.79 0.01 0.09 0.00 30.76 0.52 74 R E E 86.21 11.99 16.50 29.02 127.85 -164.11 -120.30 147.02 16.38 83.60 0.02 14.82 1.02 0.06 0.00 0.01 0.00 83.49 0.60 75 R E E 59.43 14.77 18.00 33.12 124.09 -156.32 -116.92 137.25 2.34 97.66 0.00 2.20 0.07 0.00 0.00 0.00 0.00 97.63 0.08 76 K E E 62.58 13.16 21.85 35.04 125.53 -156.32 -117.49 140.45 1.31 98.69 0.00 1.15 0.05 0.00 0.00 0.00 0.00 98.77 0.02 77 A E E 7.16 21.55 18.11 40.21 125.13 -162.25 -120.12 141.46 0.79 99.21 0.00 0.78 0.01 0.00 0.00 0.00 0.00 99.20 0.01 78 I E E 42.00 11.40 25.14 37.49 117.43 -152.40 -108.98 125.48 0.56 99.44 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.44 0.01 79 V E E 6.44 24.04 18.29 42.91 121.29 -168.55 -114.82 130.87 0.87 99.13 0.00 0.87 0.01 0.00 0.00 0.00 0.00 99.11 0.01 80 T E E 46.89 9.60 26.52 36.70 121.94 -163.10 -112.73 134.58 2.02 97.98 0.00 2.04 0.04 0.00 0.00 0.00 0.00 97.83 0.09 81 V E E 9.80 23.11 14.20 37.52 121.58 -154.70 -104.97 137.18 14.87 85.11 0.02 14.27 0.58 0.04 0.01 0.02 0.00 84.04 1.04 82 T C C 46.99 7.14 19.50 27.70 118.74 -126.54 -80.62 156.06 83.66 16.05 0.29 78.12 4.27 0.56 0.06 0.22 0.00 15.82 0.96 83 A C T 69.10 7.14 14.72 23.19 92.88 -108.95 -61.68 -29.45 91.31 1.76 6.93 7.61 15.69 68.00 1.46 5.43 0.01 1.24 0.56 84 D C T 114.19 1.74 17.15 18.46 95.10 57.20 -83.36 -2.08 92.19 0.93 6.87 12.99 12.06 67.11 1.75 5.15 0.00 0.59 0.36 85 S C C 23.98 17.43 9.01 25.61 108.67 107.16 -81.13 112.43 82.61 2.39 15.01 66.38 10.47 5.51 4.48 10.87 0.00 1.32 0.96 86 K C C 145.49 3.11 16.96 21.12 97.12 -172.34 -77.41 -20.00 76.20 3.10 20.70 51.88 15.51 9.06 7.65 13.03 0.00 1.88 1.00 87 E C C 108.46 6.28 17.04 24.05 96.98 62.41 -84.21 -4.55 70.49 7.17 22.34 54.46 9.09 7.35 7.78 14.47 0.01 5.41 1.45 88 I C C 28.94 20.58 10.34 29.69 112.32 76.17 -90.09 117.35 70.98 10.48 18.54 62.26 5.95 3.62 8.48 9.42 0.00 8.41 1.85 89 Q C C 109.41 4.94 18.97 24.82 111.36 -152.80 -91.80 114.55 73.66 11.59 14.75 65.45 4.71 4.03 6.96 7.02 0.00 10.03 1.81 90 F C C 83.41 13.04 13.88 26.78 101.49 132.79 -89.13 -21.01 72.47 11.53 16.00 48.81 13.94 10.28 6.20 9.57 0.02 9.13 2.06 91 F C C 85.68 11.31 11.86 23.71 117.41 47.12 -107.85 125.55 75.07 12.49 12.44 49.14 14.17 12.26 4.48 7.61 0.01 10.30 2.03 92 E C C 128.49 4.06 12.70 18.67 112.00 -146.10 -91.73 124.37 85.92 9.52 4.56 78.81 2.28 5.13 1.86 1.98 0.00 8.22 1.73 93 V C C 83.60 8.48 11.67 21.26 114.65 -150.29 -99.13 127.06 99.65 0.33 0.02 99.60 0.10 0.04 0.01 0.00 0.00 0.23 0.02