# 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 122.47 4.74 11.31 17.56 112.60 -168.36 -95.26 124.91 99.88 0.11 0.01 99.84 0.07 0.03 0.00 0.00 0.00 0.05 0.01 1 S C C 82.28 2.95 9.81 14.61 113.51 -147.97 -94.78 129.27 93.73 3.08 3.19 89.69 1.51 2.99 1.81 0.93 0.00 1.67 1.41 2 L C C 113.40 4.10 9.27 15.37 115.49 -133.66 -92.04 135.47 84.17 3.61 12.23 60.10 16.05 8.15 4.97 7.24 0.00 2.22 1.28 3 P C C 87.04 5.70 10.30 17.71 113.35 -112.05 -76.32 144.12 82.09 3.75 14.16 62.04 10.98 9.01 4.59 9.71 0.00 2.61 1.06 4 E C C 130.03 4.15 12.41 18.29 114.61 -140.76 -96.59 129.77 75.38 9.36 15.27 52.90 13.54 9.11 6.29 8.97 0.01 6.45 2.73 5 I C C 92.10 8.36 12.22 21.87 117.52 -147.52 -101.46 130.08 77.50 11.63 10.87 57.27 14.64 4.90 7.68 3.67 0.02 6.86 4.95 6 L C C 67.47 10.69 13.45 25.19 116.21 -138.39 -91.32 135.65 87.30 3.97 8.73 71.38 13.40 1.85 9.10 0.85 0.00 2.37 1.03 7 P C C 57.22 9.17 15.67 26.03 106.04 -107.01 -65.39 132.06 69.91 1.93 28.16 58.75 4.16 4.80 29.10 1.58 0.00 1.03 0.58 8 L H H 75.09 12.15 14.03 26.31 94.84 -129.67 -65.29 -33.28 15.48 0.27 84.25 10.53 2.13 3.47 81.49 2.16 0.00 0.13 0.09 9 E H H 112.53 2.71 18.45 21.10 92.51 58.30 -64.86 -37.99 4.98 0.24 94.78 2.74 0.70 1.83 91.77 2.74 0.01 0.16 0.06 10 V H H 36.61 11.69 16.80 29.56 92.59 52.00 -65.79 -40.89 2.87 0.19 96.95 1.31 0.38 1.30 93.59 3.24 0.01 0.14 0.04 11 I H H 12.49 23.11 13.89 36.40 91.93 51.99 -64.10 -41.58 2.46 0.11 97.42 0.83 0.29 1.30 94.34 3.12 0.01 0.07 0.03 12 D H H 80.89 7.16 19.23 27.26 91.47 55.21 -64.11 -34.38 5.89 0.10 94.01 1.17 0.52 3.94 89.19 5.07 0.02 0.05 0.04 13 K H H 128.26 3.40 21.54 25.01 91.46 55.98 -69.96 -24.71 22.01 0.07 77.92 0.88 0.98 19.99 73.35 4.69 0.05 0.03 0.04 14 T C H 12.54 20.10 14.63 35.01 96.94 45.28 -97.13 -8.12 51.03 0.58 48.39 3.42 2.80 43.84 44.39 4.88 0.08 0.29 0.29 15 I C T 56.41 15.09 14.58 30.12 112.08 116.37 -63.84 132.21 94.88 2.20 2.92 1.52 2.40 91.98 1.43 0.72 0.00 1.12 0.83 16 N C T 108.34 3.94 21.30 25.95 92.67 13.95 74.59 7.82 98.43 0.95 0.63 0.73 3.55 94.40 0.12 0.28 0.00 0.87 0.05 17 Q C S 67.59 10.45 18.97 30.08 128.97 111.33 -105.90 157.10 95.93 3.88 0.19 41.25 53.81 0.70 0.04 0.09 0.00 3.94 0.16 18 K E E 98.91 9.24 22.79 32.24 113.73 -109.06 -80.02 133.16 11.36 88.61 0.02 11.11 0.36 0.03 0.01 0.01 0.00 88.04 0.43 19 V E E 4.09 24.80 16.42 41.90 130.09 -173.59 -128.49 148.36 1.01 98.99 0.00 1.02 0.02 0.00 0.00 0.00 0.00 98.95 0.02 20 L E E 32.63 12.04 26.36 39.45 116.08 -134.51 -99.58 127.40 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 21 I E E 3.45 25.37 19.93 46.07 118.52 -163.31 -112.10 125.73 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 22 V E E 29.33 10.97 24.39 36.75 114.84 -156.36 -107.57 121.51 0.31 99.69 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.01 23 L E E 14.27 18.98 13.93 33.35 123.59 -159.06 -92.71 162.72 30.30 69.62 0.08 29.30 0.70 0.10 0.01 0.05 0.00 69.36 0.48 24 Q C T 109.21 6.83 16.48 24.46 92.92 -101.45 -62.56 -26.35 92.88 1.84 5.29 1.36 5.34 86.11 0.18 5.34 0.00 1.45 0.22 25 S C T 67.31 4.18 15.79 20.96 93.93 54.99 -87.09 2.49 94.37 0.21 5.42 0.88 5.12 87.82 0.15 5.84 0.00 0.13 0.07 26 N C S 104.98 5.50 16.29 23.03 93.71 -105.12 71.08 18.34 94.06 1.32 4.62 13.83 63.16 16.68 0.23 4.91 0.00 0.86 0.33 27 R C C 78.25 10.79 16.34 28.32 119.46 139.80 -86.97 142.55 70.29 29.65 0.06 67.93 1.10 0.23 0.01 0.04 0.00 30.16 0.53 28 E E E 62.09 14.43 20.05 34.45 128.36 -163.23 -125.84 142.29 0.84 99.16 0.00 0.76 0.03 0.00 0.00 0.00 0.00 99.19 0.02 29 F E E 12.14 21.98 19.63 41.61 128.37 -170.70 -127.30 142.05 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 30 E E E 67.08 12.18 25.87 37.92 126.68 -164.04 -122.20 138.96 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 31 G E E 5.85 16.05 22.66 39.51 144.86 115.53 171.65 -175.99 0.46 99.54 0.00 0.34 0.03 0.00 0.00 0.00 0.00 99.63 0.00 32 T E E 43.00 9.79 26.52 37.58 122.59 -63.34 -111.74 140.09 0.50 99.50 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 33 L E E 7.27 24.70 16.08 41.79 109.57 -116.02 -74.26 125.26 0.69 99.30 0.00 0.64 0.02 0.00 0.00 0.00 0.00 99.33 0.01 34 V E E 57.48 8.68 24.07 33.65 101.11 174.49 -102.44 -23.67 1.77 98.22 0.01 1.24 0.30 0.04 0.00 0.01 0.00 98.40 0.02 35 G E E 17.26 8.38 25.18 34.93 145.75 -26.46 164.78 167.96 1.84 98.16 0.01 1.24 0.36 0.05 0.00 0.01 0.00 98.32 0.02 36 F E E 52.58 21.26 12.77 32.83 136.65 -153.41 -147.06 151.94 3.28 96.71 0.01 3.04 0.20 0.01 0.00 0.00 0.00 95.47 1.27 37 D C C 58.26 6.00 19.05 25.75 129.99 -148.46 -110.67 174.05 85.11 14.85 0.04 83.36 1.44 0.28 0.01 0.03 0.00 14.18 0.71 38 D C T 116.95 2.95 16.06 20.32 91.83 -84.87 -66.14 -18.79 99.66 0.13 0.20 0.45 14.17 85.05 0.01 0.21 0.00 0.09 0.03 39 F C T 118.04 5.81 17.48 23.99 97.70 46.48 -95.10 -1.92 99.69 0.09 0.22 0.66 16.23 82.80 0.00 0.23 0.00 0.05 0.02 40 V C S 35.04 17.46 16.28 32.98 96.28 -104.75 69.47 24.97 95.03 4.61 0.36 43.01 45.57 6.53 0.04 0.42 0.00 3.35 1.08 41 N C C 38.18 10.53 22.46 33.97 115.68 147.15 -83.39 136.56 87.31 12.66 0.03 81.63 4.45 0.53 0.00 0.03 0.00 12.69 0.67 42 V E E 5.34 24.75 17.99 43.32 119.92 -154.93 -109.79 130.86 2.41 97.59 0.00 2.44 0.07 0.00 0.00 0.00 0.00 97.31 0.18 43 I E E 33.19 11.17 26.96 39.29 119.44 -164.23 -114.78 128.02 0.14 99.86 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.01 44 L E E 5.79 24.91 17.75 43.22 118.20 -162.41 -109.38 127.08 0.15 99.85 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 45 E E E 69.40 8.48 24.11 32.80 130.05 -173.24 -121.91 154.86 2.00 98.00 0.00 1.26 0.44 0.03 0.00 0.00 0.00 98.27 0.01 46 D E E 83.54 5.11 24.13 29.80 93.78 9.85 58.78 45.64 2.05 97.95 0.00 1.31 0.30 0.02 0.00 0.00 0.00 98.36 0.00 47 A E E 7.41 23.36 13.79 37.13 119.01 176.90 -82.81 143.57 0.81 99.19 0.00 0.77 0.01 0.00 0.00 0.00 0.00 99.22 0.00 48 V E E 33.19 11.13 24.04 36.17 122.98 -159.11 -119.17 135.77 0.40 99.60 0.00 0.32 0.02 0.00 0.00 0.00 0.00 99.66 0.00 49 E E E 42.21 15.78 19.60 35.56 119.92 -151.29 -108.20 131.38 0.51 99.49 0.00 0.39 0.02 0.00 0.00 0.00 0.00 99.58 0.00 50 W E E 52.08 13.48 18.05 32.71 123.57 -168.81 -118.04 137.08 1.24 98.75 0.00 1.03 0.07 0.01 0.00 0.00 0.00 98.87 0.02 51 L E E 54.76 10.12 18.42 29.89 118.90 -155.66 -108.05 131.20 4.56 95.41 0.02 3.93 0.34 0.04 0.00 0.01 0.00 95.57 0.10 52 I E E 56.12 11.71 13.84 26.82 117.30 -150.27 -104.04 132.32 27.37 72.50 0.12 23.10 3.64 0.38 0.03 0.09 0.00 72.03 0.72 53 D C C 56.16 6.77 12.88 21.77 115.15 -157.22 -107.93 121.08 80.56 19.15 0.28 71.49 6.68 0.80 0.07 0.21 0.00 19.97 0.78 54 P C T 89.82 4.71 10.90 17.52 95.58 -148.11 -65.96 -21.90 85.71 4.47 9.82 29.98 20.63 35.61 1.55 8.17 0.00 3.25 0.81 55 E C T 150.37 1.08 11.80 12.56 98.22 56.70 -81.23 -15.08 84.67 2.06 13.27 19.56 23.66 41.97 2.62 10.13 0.01 1.13 0.92 56 D C C 78.19 5.18 8.50 15.40 112.39 66.33 -94.93 114.79 81.24 2.11 16.65 29.06 25.80 27.09 3.57 12.35 0.00 1.01 1.12 57 E C T 147.59 2.10 9.84 13.52 97.01 -145.82 -69.75 -19.27 80.54 1.83 17.64 25.59 20.96 34.98 5.44 11.18 0.01 0.95 0.90 58 S C T 82.85 1.90 11.02 13.67 99.97 62.26 -86.01 0.32 76.28 6.34 17.38 27.49 20.50 30.18 4.85 11.18 0.05 3.94 1.80 59 R C C 132.29 5.92 9.62 17.06 106.91 100.42 -86.90 83.42 70.27 15.24 14.49 42.34 16.06 12.88 5.19 8.92 0.03 12.07 2.51 60 N C C 96.74 4.97 11.82 18.42 109.76 150.23 -95.75 108.82 64.73 25.61 9.66 43.96 11.84 9.09 3.52 5.68 0.01 23.89 2.01 61 E E E 108.74 6.51 12.17 20.17 117.03 -135.62 -101.54 131.58 45.88 48.19 5.92 32.77 8.89 4.99 2.13 3.28 0.01 46.66 1.27 62 K E E 107.60 8.35 12.73 22.38 118.68 -166.20 -105.90 135.81 24.06 73.44 2.50 18.40 4.44 1.91 1.04 1.24 0.00 72.21 0.76 63 V E E 73.40 8.28 14.07 23.79 118.58 -153.80 -104.34 131.12 11.48 87.77 0.74 9.94 1.00 0.39 0.34 0.29 0.00 87.47 0.57 64 M E E 87.58 10.99 12.91 24.56 120.71 -162.98 -111.18 135.04 10.73 88.92 0.36 8.92 1.30 0.31 0.14 0.15 0.00 88.78 0.40 65 Q E E 89.82 7.25 15.78 24.41 122.82 -161.02 -117.57 136.30 10.97 88.83 0.20 9.29 1.08 0.26 0.05 0.10 0.00 88.97 0.25 66 H E E 116.16 7.84 14.36 23.66 115.58 -141.31 -98.53 125.67 15.56 84.22 0.22 13.19 1.89 0.37 0.06 0.13 0.00 83.71 0.65 67 H E E 79.90 10.90 13.04 24.68 111.51 -175.03 -105.54 92.71 34.21 65.24 0.55 30.81 2.55 0.57 0.12 0.40 0.00 64.73 0.83 68 G E E 38.88 4.64 18.72 23.80 112.52 -121.32 71.98 -145.69 47.80 52.10 0.11 16.03 28.83 1.49 0.01 0.10 0.00 53.34 0.21 69 R E E 123.49 8.05 17.24 26.37 127.02 -6.58 -125.05 140.53 10.70 89.23 0.08 8.25 1.67 0.21 0.01 0.05 0.00 89.71 0.11 70 M E E 39.73 17.12 15.81 33.00 127.97 -172.71 -129.17 139.89 0.66 99.34 0.00 0.59 0.03 0.00 0.00 0.00 0.00 99.35 0.02 71 L E E 77.26 9.53 22.94 32.85 116.10 -144.80 -101.40 126.70 0.39 99.61 0.00 0.37 0.02 0.00 0.00 0.00 0.00 99.59 0.03 72 L E E 12.48 22.39 16.22 38.48 127.73 -172.69 -123.32 143.03 7.82 92.18 0.00 7.45 0.20 0.01 0.00 0.00 0.00 92.19 0.15 73 S C C 39.21 7.19 24.30 31.94 116.74 -118.73 -78.00 146.56 70.26 29.68 0.06 67.46 1.77 0.11 0.01 0.05 0.00 30.12 0.49 74 G H G 16.15 20.00 14.53 34.04 91.52 -121.07 -60.66 -32.27 23.76 0.78 75.46 1.11 3.31 17.25 0.48 77.22 0.00 0.56 0.07 75 N H G 109.58 3.45 22.37 26.53 90.54 65.09 -71.45 -15.11 22.99 0.74 76.27 0.77 2.57 17.70 0.50 77.84 0.00 0.56 0.05 76 N H G 49.73 13.24 18.42 32.23 96.88 54.33 -100.64 3.02 21.71 2.61 75.68 4.66 4.22 11.97 0.68 76.15 0.00 2.16 0.17 77 I E E 17.59 23.00 13.83 36.68 113.65 100.90 -86.16 124.11 3.56 96.41 0.03 3.51 0.16 0.02 0.01 0.01 0.00 95.93 0.36 78 A E E 47.95 8.51 22.01 31.06 102.08 176.02 -97.48 -33.54 1.87 98.12 0.01 1.52 0.20 0.01 0.00 0.00 0.00 98.25 0.02 79 I E E 70.12 7.74 24.47 32.85 138.04 1.54 -151.33 146.03 0.35 99.65 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.00 80 L E E 37.89 21.57 15.99 36.47 120.42 -158.73 -115.96 126.20 0.57 99.42 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.43 0.02 81 V E E 53.12 8.98 21.36 31.31 120.54 -174.07 -124.72 124.58 10.02 89.97 0.01 9.13 0.47 0.02 0.00 0.00 0.00 90.17 0.19 82 P E E 63.62 11.29 16.02 27.74 113.67 -120.71 -68.56 146.17 43.06 56.23 0.71 28.70 11.08 4.30 0.09 0.70 0.00 54.49 0.64 83 G C C 42.08 7.85 16.23 24.73 110.06 12.17 81.39 13.79 89.74 7.61 2.66 40.53 29.23 20.42 0.28 2.67 0.00 5.66 1.20 84 G C C 41.32 6.81 13.37 21.55 122.03 119.80 101.93 -0.53 92.60 4.34 3.06 46.13 29.95 16.50 0.40 3.03 0.00 2.40 1.58 85 K C C 153.58 2.43 14.75 18.22 110.96 -79.23 -91.63 120.93 93.74 3.54 2.72 54.17 32.23 7.36 0.60 2.12 0.00 1.57 1.96 86 K C C 125.33 5.81 12.00 19.41 116.36 -111.35 -90.72 140.28 97.55 1.41 1.05 67.92 27.41 2.30 0.38 0.59 0.00 0.59 0.81 87 T C C 68.36 8.36 10.79 20.40 116.04 -111.27 -79.88 144.41 96.12 0.87 3.01 86.28 7.62 2.37 1.31 1.47 0.00 0.38 0.58 88 P C C 86.38 4.64 11.71 18.01 109.15 -104.45 -68.00 146.26 78.83 1.43 19.74 63.30 6.54 8.78 5.64 14.25 0.00 0.74 0.74 89 T C C 95.77 4.17 9.70 15.62 105.82 -126.66 -80.70 43.65 58.62 1.64 39.75 34.78 9.83 13.66 6.86 33.38 0.00 0.91 0.57 90 E C G 140.56 2.50 9.97 14.00 105.20 75.74 -86.49 43.55 53.73 2.42 43.84 28.18 10.35 16.07 7.61 35.63 0.01 1.41 0.75 91 A C C 75.66 3.83 8.97 14.54 107.27 99.28 -87.50 80.43 60.92 2.27 36.82 44.17 4.32 13.41 6.76 29.17 0.00 1.36 0.79 92 L C C 101.79 6.71 10.39 18.36 106.60 -141.57 -87.38 68.89 99.65 0.18 0.17 99.41 0.21 0.16 0.08 0.02 0.00 0.08 0.04