# 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 97.47 8.98 14.95 24.63 112.34 -144.09 -89.33 127.05 99.91 0.08 0.00 99.90 0.04 0.01 0.00 0.00 0.00 0.05 0.00 1 R C C 101.60 10.72 14.93 26.33 118.67 -158.09 -100.47 136.67 58.54 41.41 0.05 57.61 0.59 0.14 0.01 0.03 0.00 40.54 1.08 2 R E E 108.01 9.78 18.89 29.14 120.24 -144.07 -103.98 135.00 25.21 74.75 0.04 22.88 1.48 0.12 0.01 0.03 0.00 75.00 0.48 3 Y E E 24.85 20.20 16.59 36.71 130.32 -171.98 -126.23 148.56 5.78 94.21 0.01 5.49 0.21 0.01 0.00 0.00 0.00 94.09 0.18 4 E E E 38.44 14.54 24.16 38.80 124.87 -155.03 -117.34 138.26 2.77 97.23 0.01 2.57 0.12 0.01 0.00 0.00 0.00 97.26 0.04 5 V E E 8.01 23.12 21.72 44.68 124.60 -163.89 -121.14 135.23 2.26 97.73 0.00 2.18 0.06 0.00 0.00 0.00 0.00 97.72 0.03 6 N E E 19.24 18.59 25.91 43.85 122.77 -163.76 -115.09 134.00 1.91 98.09 0.00 1.73 0.08 0.00 0.00 0.00 0.00 98.17 0.01 7 I E E 5.65 24.34 24.61 48.41 123.98 -167.96 -120.76 133.35 0.46 99.54 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 8 V E E 12.56 19.97 27.50 46.81 116.66 -158.30 -107.27 124.29 0.31 99.69 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.01 9 L E E 6.10 23.89 20.83 44.51 130.08 -176.03 -122.52 148.97 2.63 97.37 0.00 2.66 0.05 0.00 0.00 0.00 0.00 96.93 0.35 10 N C C 36.91 12.51 22.68 35.83 110.01 -106.45 -73.05 130.09 90.95 9.04 0.00 91.20 0.52 0.02 0.00 0.00 0.00 8.06 0.20 11 P C T 46.32 15.31 15.55 31.40 91.86 -133.46 -63.88 -22.05 98.85 0.52 0.63 1.49 6.48 90.93 0.02 0.60 0.00 0.39 0.08 12 N C T 122.02 1.60 20.75 21.63 93.36 61.78 -86.40 -0.30 99.20 0.21 0.59 1.80 6.05 91.37 0.03 0.57 0.00 0.14 0.04 13 L C C 29.78 18.35 8.05 25.46 119.02 112.82 -74.66 145.83 98.73 0.89 0.38 49.81 48.55 0.40 0.14 0.18 0.00 0.24 0.68 14 D C C 95.41 1.66 19.27 19.30 116.41 -105.29 -71.57 151.85 99.72 0.13 0.15 99.37 0.36 0.06 0.09 0.01 0.00 0.03 0.07 15 Q H H 120.52 5.77 11.90 19.76 91.62 -112.36 -57.61 -38.49 2.02 0.00 97.97 0.27 0.25 1.30 97.37 0.81 0.00 0.00 0.00 16 S H H 86.04 0.85 17.20 16.07 92.02 52.88 -64.57 -39.38 1.50 0.00 98.50 0.14 0.12 1.12 97.45 1.17 0.00 0.00 0.00 17 Q H H 80.07 6.19 16.56 23.90 92.30 48.44 -66.76 -39.64 0.80 0.00 99.19 0.15 0.07 0.49 98.21 1.08 0.00 0.00 0.00 18 L H H 18.72 18.99 12.46 31.41 91.50 51.41 -63.29 -42.70 0.46 0.00 99.54 0.10 0.04 0.23 99.43 0.20 0.00 0.00 0.00 19 A H H 55.50 4.25 20.65 25.17 91.44 50.98 -63.13 -41.59 0.56 0.00 99.44 0.11 0.03 0.29 99.47 0.10 0.00 0.00 0.00 20 L H H 86.53 2.49 22.49 23.70 91.72 49.91 -64.48 -41.56 0.92 0.00 99.08 0.09 0.04 0.65 99.07 0.14 0.00 0.00 0.00 21 E H H 27.86 17.84 18.62 36.16 92.23 49.66 -64.97 -41.99 0.81 0.00 99.18 0.09 0.04 0.54 99.23 0.09 0.00 0.00 0.00 22 K H H 45.03 18.44 19.50 36.94 91.36 51.51 -62.60 -42.29 0.22 0.00 99.78 0.03 0.01 0.12 99.82 0.02 0.00 0.00 0.00 23 E H H 104.99 2.60 24.75 26.17 91.48 50.68 -63.74 -41.48 0.07 0.00 99.93 0.01 0.00 0.03 99.94 0.02 0.00 0.00 0.00 24 I H H 57.45 8.46 22.69 31.79 91.67 49.86 -64.18 -42.57 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 25 I H H 2.49 26.24 18.00 44.64 91.39 48.82 -64.19 -43.40 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 26 Q H H 61.83 14.19 21.26 34.77 91.25 51.81 -61.89 -42.29 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 27 R H H 134.73 1.90 25.55 25.60 91.66 50.26 -64.44 -41.41 0.33 0.00 99.67 0.02 0.01 0.24 99.69 0.03 0.00 0.00 0.00 28 A H H 12.87 14.24 19.92 35.22 91.67 50.03 -64.15 -43.12 0.39 0.00 99.61 0.03 0.02 0.27 99.61 0.07 0.00 0.00 0.00 29 L H H 3.79 25.29 14.29 39.90 91.98 49.20 -64.77 -41.62 0.76 0.01 99.23 0.08 0.05 0.56 98.94 0.36 0.00 0.01 0.00 30 E H H 111.05 6.24 18.71 26.07 91.98 50.95 -64.17 -40.38 1.56 0.00 98.44 0.12 0.07 1.28 97.43 1.09 0.00 0.00 0.00 31 N H H 120.31 1.62 19.77 20.84 90.94 54.59 -66.54 -24.80 12.86 0.01 87.13 0.17 0.25 13.47 84.97 1.11 0.01 0.01 0.01 32 Y C T 71.47 13.85 14.50 28.90 95.57 48.47 -96.24 6.81 87.45 0.02 12.52 0.15 0.77 87.22 11.22 0.61 0.00 0.01 0.02 33 G C T 44.52 3.60 22.80 26.57 98.83 -99.23 90.37 10.54 99.90 0.01 0.09 0.42 0.91 98.63 0.03 0.01 0.00 0.00 0.00 34 A C C 8.04 23.69 9.89 32.82 123.57 134.91 -90.44 153.93 91.69 8.30 0.01 90.52 1.11 0.05 0.00 0.00 0.00 8.20 0.12 35 R E E 131.25 3.22 25.46 28.71 121.60 -145.53 -117.49 137.58 14.90 85.08 0.02 14.28 0.41 0.02 0.00 0.01 0.00 85.02 0.26 36 V E E 39.81 20.94 12.34 32.46 110.72 -124.56 -81.42 122.66 1.52 98.48 0.00 1.69 0.02 0.00 0.00 0.00 0.00 98.21 0.08 37 E E E 99.93 4.83 19.35 25.20 100.74 176.92 -93.67 -33.81 2.80 97.19 0.01 1.99 0.52 0.02 0.00 0.00 0.00 97.45 0.01 38 K E E 99.31 4.16 22.60 27.44 138.20 -1.15 -154.32 150.51 1.30 98.69 0.01 0.99 0.13 0.01 0.00 0.00 0.00 98.86 0.01 39 V E E 48.48 20.51 11.50 30.61 123.67 -162.33 -129.07 128.91 1.20 98.79 0.00 1.06 0.05 0.00 0.00 0.00 0.00 98.88 0.01 40 E E E 89.14 5.79 20.54 27.12 122.20 -174.02 -120.06 132.04 2.70 97.30 0.01 2.30 0.14 0.01 0.00 0.00 0.00 97.52 0.03 41 E E E 113.04 7.85 16.32 25.60 111.52 -126.56 -83.83 122.64 7.91 92.08 0.01 7.44 0.20 0.01 0.00 0.01 0.00 92.28 0.05 42 L E E 62.57 12.87 13.26 26.54 101.95 176.18 -97.82 -2.74 18.68 81.24 0.08 17.24 0.59 0.08 0.03 0.03 0.00 81.88 0.15 43 G E E 28.80 4.22 19.40 24.45 133.00 -113.71 111.21 -169.07 6.95 92.97 0.07 5.02 1.49 0.17 0.02 0.04 0.00 93.12 0.15 44 L E E 101.15 7.98 15.11 24.36 116.16 -40.83 -87.23 134.93 3.76 96.19 0.05 3.22 0.32 0.04 0.02 0.02 0.00 96.31 0.08 45 R E E 88.99 10.48 14.58 26.32 130.58 -178.12 -133.39 146.53 2.33 97.61 0.06 2.12 0.12 0.03 0.03 0.02 0.00 97.59 0.09 46 R E E 155.34 3.49 18.10 22.89 113.98 -115.73 -81.64 133.09 5.11 94.80 0.08 4.84 0.22 0.03 0.05 0.02 0.00 94.50 0.34 47 L C E 36.99 18.20 8.79 26.01 114.18 -122.86 -77.81 138.20 50.12 49.61 0.26 47.13 1.78 0.21 0.11 0.10 0.00 49.94 0.74 48 A C S 77.20 3.00 16.43 20.21 94.42 -144.83 -74.53 -22.75 80.06 19.82 0.12 29.21 49.20 1.47 0.02 0.11 0.00 19.51 0.49 49 Y C S 119.16 4.27 15.31 20.83 128.23 38.76 -130.37 146.73 78.25 21.66 0.09 9.25 67.83 1.39 0.01 0.07 0.00 20.82 0.64 50 P C C 89.31 4.35 14.88 20.56 112.24 -97.69 -64.80 139.93 75.53 24.08 0.39 69.85 4.57 0.90 0.09 0.29 0.00 22.31 1.98 51 I C C 51.42 14.58 8.36 22.60 114.76 -167.19 -110.59 122.56 71.13 27.37 1.50 62.60 5.59 1.77 0.65 0.93 0.00 15.03 13.43 52 A C T 83.54 2.74 14.29 17.79 101.86 -38.30 18.12 -31.25 93.89 3.10 3.01 11.73 37.93 44.54 0.31 2.62 0.00 2.11 0.77 53 K C T 166.10 1.36 14.81 16.08 97.72 -28.23 -70.95 3.54 94.82 3.03 2.15 9.55 42.22 43.32 0.15 2.02 0.00 2.20 0.54 54 D C C 63.09 9.86 12.77 23.65 114.58 73.42 -114.18 107.10 68.17 31.12 0.71 49.08 16.60 2.29 0.15 0.71 0.00 26.68 4.49 55 P C C 53.82 10.97 15.48 27.64 100.37 -170.64 -90.92 -4.55 67.00 32.85 0.15 54.36 9.67 0.99 0.02 0.14 0.00 34.13 0.68 56 Q E E 69.93 9.41 21.39 31.31 129.54 76.36 -127.37 147.01 24.39 75.53 0.07 18.66 5.19 0.47 0.01 0.07 0.00 75.13 0.47 57 G E E 5.92 18.25 18.43 36.85 141.79 150.51 -166.01 168.94 6.31 93.68 0.01 5.07 0.95 0.04 0.00 0.00 0.00 93.84 0.09 58 Y E E 37.96 14.48 23.09 38.36 127.80 -102.71 -124.60 143.81 0.77 99.23 0.00 0.67 0.03 0.00 0.00 0.00 0.00 99.28 0.01 59 F E E 27.81 18.39 21.48 39.66 119.70 -149.15 -108.08 132.23 0.31 99.69 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.00 60 L E E 13.54 19.23 21.16 40.63 124.00 -168.86 -120.25 135.57 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 61 W E E 50.73 14.37 23.77 38.45 119.21 -160.00 -110.39 127.62 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 62 Y E E 17.23 20.86 20.09 40.91 123.18 -169.00 -117.22 132.88 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 63 Q E E 51.64 11.60 25.06 37.05 118.01 -159.34 -108.71 125.85 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 64 V E E 9.12 22.36 17.51 39.95 128.18 -175.40 -126.75 142.49 0.34 99.66 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 65 E E E 85.15 8.16 25.21 33.80 118.30 -153.40 -109.76 127.27 3.11 96.89 0.00 2.81 0.20 0.01 0.00 0.00 0.00 96.84 0.14 66 M C E 17.10 20.89 13.74 34.44 136.44 164.18 -141.70 157.88 51.42 48.55 0.03 45.29 4.38 0.10 0.01 0.02 0.00 49.75 0.45 67 P C C 57.19 4.98 20.27 25.87 112.78 -96.84 -65.30 146.25 93.97 5.58 0.45 91.38 2.15 0.39 0.23 0.13 0.00 5.44 0.27 68 E H H 111.12 9.02 13.59 23.74 92.12 -114.10 -59.39 -34.59 38.47 0.23 61.30 3.69 5.09 28.24 48.85 13.79 0.07 0.13 0.14 69 D H H 114.86 1.18 19.04 18.84 91.63 59.51 -68.20 -25.86 32.78 0.18 67.04 3.80 3.75 23.91 54.67 13.60 0.07 0.10 0.12 70 R H H 69.46 12.80 15.71 28.81 95.84 51.96 -82.95 -21.69 15.84 0.36 83.80 7.76 2.93 5.67 71.76 11.53 0.02 0.20 0.13 71 V H H 20.98 20.75 13.52 33.60 92.65 68.10 -62.21 -43.06 3.56 0.04 96.40 1.82 0.51 1.31 94.98 1.35 0.00 0.02 0.01 72 N H H 95.80 2.86 21.68 24.22 91.62 51.35 -64.10 -40.28 1.68 0.01 98.30 0.61 0.20 0.83 97.62 0.73 0.00 0.01 0.00 73 D H H 65.14 4.65 21.21 26.16 91.94 50.04 -65.18 -40.58 1.47 0.01 98.52 0.50 0.17 0.76 97.97 0.59 0.00 0.01 0.00 74 L H H 7.90 22.40 15.61 38.13 91.78 50.65 -64.47 -42.70 0.80 0.01 99.20 0.21 0.08 0.43 98.84 0.43 0.00 0.00 0.00 75 A H H 31.53 14.25 17.99 32.34 91.64 52.42 -62.72 -41.02 1.21 0.01 98.78 0.23 0.09 0.74 98.35 0.58 0.00 0.00 0.00 76 R H H 149.10 1.73 21.88 22.26 91.93 50.38 -64.94 -40.00 3.30 0.01 96.69 0.35 0.21 2.53 95.73 1.16 0.01 0.00 0.00 77 E H H 71.22 10.61 18.66 29.74 92.45 48.75 -68.18 -36.95 6.01 0.02 93.97 0.44 0.38 4.93 93.10 1.12 0.01 0.01 0.01 78 L H H 14.04 22.15 13.24 35.09 94.76 49.35 -81.26 -19.96 32.36 0.39 67.25 4.73 3.41 24.07 65.05 2.32 0.05 0.16 0.21 79 R C T 133.00 7.33 18.52 26.83 94.20 79.51 -64.51 -16.64 69.49 1.22 29.29 18.59 4.33 44.69 27.74 3.47 0.01 0.62 0.54 80 I C C 91.41 8.08 15.38 24.29 97.09 68.31 -83.45 -3.05 82.10 3.93 13.97 53.48 15.26 12.62 11.94 2.85 0.01 1.76 2.07 81 R C C 99.99 10.12 12.72 23.69 119.16 93.06 -97.21 141.27 89.34 4.56 6.11 72.53 11.32 5.26 3.50 2.69 0.00 2.46 2.25 82 D C T 117.46 2.43 16.51 19.81 96.00 -133.17 -69.10 -21.61 92.83 2.72 4.45 6.55 26.89 60.18 0.83 3.11 0.00 1.82 0.61 83 N C T 75.51 9.30 16.24 26.28 97.16 53.97 -89.32 3.17 89.94 6.63 3.42 12.39 16.60 60.88 0.38 3.09 0.00 6.20 0.47 84 V E E 21.95 20.66 12.08 32.49 112.61 111.08 -85.89 122.69 16.33 83.44 0.24 14.64 1.55 0.21 0.13 0.12 0.00 80.78 2.56 85 R E E 99.58 8.69 20.83 30.10 100.71 177.08 -93.67 -32.69 14.84 85.02 0.13 12.95 1.32 0.13 0.06 0.05 0.00 85.23 0.25 86 R E E 78.66 10.63 22.17 33.21 139.16 -0.89 -151.02 147.13 9.23 90.64 0.13 8.32 0.55 0.10 0.05 0.05 0.00 90.81 0.12 87 V E E 35.01 20.86 16.69 36.59 126.71 -165.92 -130.81 134.33 5.82 94.06 0.11 5.67 0.18 0.04 0.05 0.03 0.00 93.91 0.12 88 M E E 55.58 11.51 23.46 35.36 123.07 -168.41 -120.62 132.43 6.14 93.81 0.05 5.83 0.18 0.03 0.02 0.01 0.00 93.86 0.07 89 V E E 38.19 17.71 19.27 36.62 118.32 -158.29 -107.41 126.80 3.53 96.45 0.02 3.52 0.07 0.01 0.01 0.00 0.00 96.31 0.08 90 V E E 37.96 13.10 18.98 32.94 127.07 -173.88 -122.86 142.02 3.79 96.18 0.03 3.72 0.13 0.02 0.01 0.01 0.00 95.83 0.29 91 K E E 84.19 10.19 17.89 28.80 113.66 -122.20 -83.64 132.78 17.60 82.22 0.18 16.45 0.92 0.16 0.09 0.09 0.00 81.53 0.78 92 S C S 54.30 11.87 13.72 25.94 97.71 -127.05 -67.91 -25.73 86.90 8.26 4.84 27.67 30.70 28.77 1.03 3.53 0.00 7.64 0.66 93 Q C C 125.03 3.08 16.41 20.20 100.35 62.47 -86.29 -2.68 90.29 3.40 6.32 33.82 28.50 28.61 1.66 4.34 0.00 2.32 0.74 94 E C C 84.68 9.51 12.02 22.60 114.19 98.88 -83.43 134.91 84.05 1.75 14.20 60.92 19.80 4.05 8.95 4.71 0.00 0.96 0.61 95 P C C 76.40 6.21 14.43 21.97 107.74 -116.71 -67.44 138.42 75.60 1.73 22.66 62.17 6.39 7.18 14.05 8.51 0.00 1.06 0.64 96 F C C 94.35 11.06 12.29 23.67 106.25 -121.73 -79.80 70.54 70.85 2.76 26.40 55.17 8.01 7.67 16.30 10.15 0.00 1.59 1.10 97 L C C 87.77 8.02 12.79 21.78 105.28 80.42 -84.97 24.27 69.20 3.58 27.22 51.76 8.84 8.45 17.26 10.20 0.01 2.12 1.35 98 A C C 67.63 6.00 11.09 18.52 103.98 79.43 -80.23 16.92 72.87 2.94 24.20 45.22 13.63 14.22 15.05 9.09 0.01 1.64 1.15 99 N C C 117.68 2.77 11.90 16.06 103.33 57.64 -87.78 31.84 84.75 1.46 13.79 66.52 3.58 15.65 8.05 4.69 0.00 0.80 0.71 100 A C C 62.76 7.85 10.90 19.88 106.45 137.48 -81.19 75.95 99.90 0.04 0.06 99.67 0.14 0.12 0.03 0.01 0.00 0.02 0.01