# 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 97.12 8.97 14.87 24.55 112.89 -142.63 -89.01 128.50 99.91 0.09 0.00 99.89 0.05 0.01 0.00 0.00 0.00 0.05 0.00 1 R C C 102.55 10.75 14.76 26.17 118.82 -158.93 -99.99 135.91 60.24 39.71 0.06 59.31 0.60 0.16 0.01 0.03 0.00 38.79 1.10 2 R E E 108.44 9.64 18.88 29.00 120.25 -143.81 -104.13 135.05 27.59 72.37 0.05 24.92 1.78 0.14 0.01 0.04 0.00 72.58 0.54 3 Y E E 27.34 19.93 16.49 36.30 130.65 -172.05 -126.89 148.89 7.05 92.93 0.01 6.69 0.27 0.02 0.00 0.00 0.00 92.79 0.22 4 E E E 37.71 14.63 23.80 38.56 125.12 -156.87 -118.05 139.13 3.33 96.67 0.01 3.07 0.15 0.01 0.00 0.00 0.00 96.71 0.05 5 V E E 10.11 22.34 21.70 43.81 124.16 -162.19 -119.69 135.16 2.54 97.46 0.00 2.45 0.07 0.00 0.00 0.00 0.00 97.44 0.03 6 N E E 19.60 18.47 25.36 43.24 123.91 -166.32 -116.68 134.46 2.08 97.92 0.00 1.91 0.08 0.00 0.00 0.00 0.00 97.99 0.01 7 I E E 7.34 23.57 24.36 47.37 123.21 -166.51 -119.35 132.42 0.57 99.43 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.46 0.01 8 V E E 13.77 19.53 27.14 46.04 116.45 -159.17 -106.54 124.21 0.37 99.63 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 9 L E E 6.80 23.55 20.67 43.99 129.25 -174.73 -122.14 147.17 2.44 97.56 0.00 2.45 0.05 0.00 0.00 0.00 0.00 97.18 0.32 10 N C C 38.42 12.27 22.61 35.53 109.87 -108.09 -73.49 128.41 89.02 10.97 0.01 89.28 0.50 0.02 0.00 0.00 0.00 9.98 0.22 11 P C T 46.14 15.36 15.34 31.23 92.07 -133.84 -63.90 -21.90 98.59 0.67 0.74 2.03 7.12 89.48 0.03 0.72 0.00 0.53 0.09 12 N C T 122.43 1.56 20.66 21.45 92.92 61.87 -86.24 -0.25 99.07 0.25 0.68 2.28 6.78 90.01 0.03 0.68 0.00 0.17 0.05 13 L C S 29.76 18.27 7.97 25.32 118.93 112.66 -75.60 146.74 98.75 0.84 0.41 44.50 53.86 0.44 0.15 0.18 0.00 0.23 0.63 14 D C C 95.89 1.65 19.11 19.15 115.94 -103.78 -71.06 150.75 99.73 0.11 0.16 99.35 0.39 0.07 0.09 0.01 0.00 0.03 0.07 15 Q H H 121.96 5.44 11.89 19.46 91.56 -112.46 -57.57 -38.49 2.03 0.00 97.97 0.28 0.26 1.27 97.48 0.71 0.00 0.00 0.00 16 S H H 85.75 0.86 17.10 16.01 92.05 52.80 -64.55 -39.40 1.44 0.00 98.55 0.14 0.12 1.06 97.66 1.02 0.00 0.00 0.00 17 Q H H 79.39 6.34 16.46 23.96 92.32 48.42 -66.67 -39.62 0.76 0.00 99.24 0.14 0.07 0.45 98.40 0.94 0.00 0.00 0.00 18 L H H 19.15 18.81 12.52 31.31 91.46 51.52 -63.28 -42.71 0.41 0.00 99.58 0.08 0.04 0.21 99.49 0.18 0.00 0.00 0.00 19 A H H 55.89 4.14 20.69 25.05 91.44 51.01 -63.18 -41.49 0.50 0.00 99.50 0.09 0.03 0.26 99.53 0.10 0.00 0.00 0.00 20 L H H 85.63 2.58 22.38 23.77 91.72 49.90 -64.44 -41.58 0.85 0.00 99.15 0.08 0.03 0.61 99.14 0.13 0.00 0.00 0.00 21 E H H 27.43 17.96 18.53 36.19 92.25 49.67 -64.96 -42.05 0.80 0.00 99.20 0.08 0.04 0.54 99.25 0.09 0.00 0.00 0.00 22 K H H 46.31 18.25 19.53 36.78 91.35 51.58 -62.66 -42.19 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 105.32 2.57 24.71 26.07 91.48 50.77 -63.67 -41.55 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 24 I H H 56.98 8.58 22.65 31.87 91.68 49.85 -64.19 -42.60 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 25 I H H 2.51 26.22 18.00 44.61 91.46 48.80 -64.30 -43.37 0.05 0.00 99.95 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 26 Q H H 61.91 14.03 21.29 34.69 91.27 51.90 -61.91 -42.24 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 27 R H H 133.85 1.93 25.54 25.66 91.60 50.35 -64.40 -41.54 0.23 0.00 99.77 0.01 0.01 0.17 99.79 0.03 0.00 0.00 0.00 28 A H H 12.56 14.31 19.85 35.24 91.61 50.12 -64.15 -43.10 0.28 0.00 99.72 0.02 0.01 0.20 99.72 0.05 0.00 0.00 0.00 29 L H H 4.10 25.11 14.30 39.69 92.07 49.39 -64.72 -41.94 0.59 0.01 99.40 0.06 0.03 0.44 99.20 0.26 0.00 0.00 0.00 30 E H H 112.61 5.95 18.79 25.88 91.96 51.07 -64.16 -40.51 1.36 0.00 98.64 0.09 0.06 1.14 97.85 0.85 0.00 0.00 0.00 31 N H H 119.81 1.64 19.71 20.83 91.03 54.48 -66.55 -25.11 12.28 0.01 87.71 0.15 0.23 12.93 85.72 0.94 0.01 0.00 0.01 32 Y C T 72.00 13.74 14.45 28.73 95.62 48.05 -97.01 6.90 86.90 0.02 13.08 0.16 0.78 86.45 11.98 0.60 0.00 0.01 0.02 33 G C T 45.14 3.43 22.72 26.22 98.72 -99.58 89.43 10.90 99.89 0.01 0.10 0.49 0.92 98.54 0.03 0.02 0.00 0.00 0.00 34 A C C 8.42 23.65 9.69 32.49 122.56 136.82 -88.34 153.50 93.16 6.83 0.01 92.22 0.99 0.04 0.00 0.00 0.00 6.64 0.11 35 R E E 133.58 3.06 25.37 28.37 121.41 -144.60 -115.97 136.99 15.54 84.45 0.02 14.87 0.44 0.02 0.00 0.01 0.00 84.40 0.25 36 V E E 41.68 20.69 12.24 32.08 110.56 -123.90 -81.12 122.50 1.49 98.50 0.00 1.66 0.02 0.00 0.00 0.00 0.00 98.24 0.08 37 E E E 100.63 4.74 19.12 24.92 100.72 176.39 -93.77 -33.81 2.84 97.15 0.01 2.05 0.50 0.02 0.00 0.00 0.00 97.42 0.01 38 K E E 100.61 4.01 22.43 27.11 138.04 -0.89 -153.84 150.98 1.28 98.71 0.01 0.98 0.12 0.01 0.00 0.00 0.00 98.87 0.01 39 V E E 49.83 20.25 11.45 30.33 123.89 -162.48 -129.24 128.52 1.25 98.75 0.00 1.10 0.05 0.00 0.00 0.00 0.00 98.83 0.01 40 E E E 89.29 5.72 20.45 26.99 122.10 -174.05 -120.09 131.40 2.87 97.12 0.01 2.45 0.15 0.01 0.00 0.00 0.00 97.36 0.03 41 E E E 114.69 7.55 16.32 25.38 111.67 -128.34 -83.65 122.76 8.18 91.80 0.01 7.63 0.23 0.02 0.00 0.01 0.00 92.06 0.06 42 L E E 60.41 13.03 13.23 26.69 101.38 175.70 -98.05 -5.40 19.77 80.14 0.09 18.44 0.55 0.08 0.03 0.03 0.00 80.71 0.16 43 G E E 28.80 4.20 19.31 24.37 131.21 -121.46 104.82 -167.83 8.52 91.40 0.09 6.04 2.03 0.23 0.02 0.05 0.00 91.45 0.18 44 L E E 102.40 7.42 15.22 24.00 115.87 -35.85 -84.22 134.28 4.27 95.67 0.06 3.60 0.43 0.05 0.02 0.02 0.00 95.79 0.08 45 R E E 87.16 10.79 14.36 26.36 130.40 -175.23 -133.31 146.95 2.10 97.84 0.06 1.89 0.12 0.03 0.03 0.02 0.00 97.84 0.08 46 R E E 155.07 3.46 18.08 22.80 114.01 -115.35 -82.30 132.73 3.94 95.98 0.08 3.80 0.15 0.03 0.05 0.02 0.00 95.67 0.28 47 L E E 37.38 18.00 8.77 25.80 114.68 -123.64 -77.90 140.42 46.72 53.05 0.23 44.33 1.33 0.16 0.10 0.08 0.00 53.33 0.67 48 A C S 77.40 2.89 16.28 19.91 94.33 -143.05 -73.12 -24.96 80.18 19.72 0.10 21.55 56.52 1.67 0.01 0.10 0.00 19.73 0.43 49 Y C S 120.12 4.18 15.09 20.54 126.60 36.98 -129.13 143.43 77.86 22.05 0.09 8.06 68.51 1.53 0.01 0.07 0.00 21.22 0.61 50 P C C 88.25 4.54 14.40 20.36 111.88 -98.28 -65.34 139.85 73.78 25.71 0.50 68.19 4.33 1.03 0.12 0.38 0.00 23.88 2.07 51 I C C 58.31 13.37 8.58 21.92 110.79 -169.09 -103.08 92.60 72.62 25.20 2.18 61.33 7.33 3.00 0.84 1.47 0.00 15.17 10.86 52 A C T 83.12 2.67 13.89 17.35 101.14 -21.61 9.64 24.01 93.73 2.81 3.46 15.35 39.28 39.32 0.38 3.01 0.00 1.94 0.72 53 K C S 166.63 1.29 14.50 15.65 98.06 -37.01 -64.66 6.53 94.25 3.12 2.64 13.03 43.16 38.33 0.20 2.42 0.00 2.25 0.61 54 D C C 66.44 9.17 12.74 23.04 114.95 76.19 -111.82 113.94 67.33 31.89 0.79 49.39 14.87 2.59 0.16 0.79 0.00 28.36 3.83 55 P C C 52.49 11.19 15.11 27.49 102.36 -164.89 -90.51 0.09 63.87 35.98 0.15 53.19 7.72 0.85 0.02 0.13 0.00 37.36 0.73 56 Q E E 70.12 9.52 21.18 31.15 128.55 88.72 -124.41 146.45 21.32 78.61 0.06 16.77 4.15 0.38 0.01 0.06 0.00 78.13 0.51 57 G E E 6.38 17.76 18.55 36.51 142.06 147.96 -170.75 -174.54 5.66 94.34 0.01 4.60 0.82 0.03 0.00 0.00 0.00 94.45 0.09 58 Y E E 38.82 14.31 22.88 38.02 128.11 -99.87 -124.50 144.20 0.79 99.21 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.27 0.01 59 F E E 28.68 18.10 21.34 39.31 119.51 -149.18 -108.35 132.30 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 13.76 19.08 21.03 40.38 123.73 -169.06 -120.31 135.29 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 61 W E E 51.00 14.24 23.69 38.28 118.77 -159.59 -109.61 127.15 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 62 Y E E 17.43 20.82 19.93 40.72 123.32 -169.16 -118.13 133.01 0.30 99.70 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 63 Q E E 52.41 11.46 25.09 36.93 117.98 -159.22 -108.89 125.85 0.27 99.73 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 64 V E E 8.86 22.46 17.43 39.97 128.22 -175.05 -127.55 143.03 0.32 99.68 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 65 E E E 84.98 8.19 25.29 33.90 118.49 -154.46 -112.16 127.48 2.73 97.27 0.00 2.46 0.18 0.01 0.00 0.00 0.00 97.23 0.12 66 M E E 16.95 20.73 14.00 34.59 137.38 161.88 -142.89 158.43 48.70 51.26 0.05 42.59 4.53 0.12 0.01 0.03 0.00 52.25 0.47 67 P C C 56.95 5.03 20.38 26.02 112.98 -96.76 -65.48 146.39 91.40 7.92 0.68 87.75 2.80 0.57 0.33 0.22 0.00 7.96 0.36 68 E H H 109.77 9.51 13.56 24.04 92.15 -113.94 -59.37 -33.78 44.45 0.33 55.22 4.46 6.37 31.53 39.40 17.77 0.08 0.19 0.20 69 D H H 114.89 1.24 19.11 19.06 91.58 60.67 -69.02 -23.90 39.20 0.26 60.54 4.74 4.69 27.70 44.52 17.99 0.07 0.14 0.16 70 R H H 68.02 12.98 15.60 28.90 96.38 53.59 -84.14 -17.25 20.74 0.54 78.73 10.27 3.89 6.95 63.23 15.15 0.02 0.30 0.20 71 V H H 20.16 21.14 13.40 33.84 92.74 72.67 -62.08 -43.07 4.81 0.06 95.13 2.54 0.72 1.72 93.00 1.97 0.00 0.04 0.02 72 N H H 97.47 2.85 21.70 24.30 91.68 51.50 -64.23 -40.19 2.44 0.03 97.52 0.95 0.31 1.20 96.23 1.29 0.00 0.02 0.01 73 D H H 65.47 4.66 21.28 26.23 91.94 49.99 -65.06 -40.48 2.01 0.03 97.96 0.71 0.24 1.07 96.84 1.11 0.00 0.01 0.01 74 L H H 7.28 22.70 15.51 38.33 91.85 50.63 -64.53 -42.61 1.25 0.02 98.73 0.37 0.14 0.69 97.86 0.92 0.00 0.01 0.00 75 A H H 31.42 14.45 17.98 32.46 91.61 52.55 -62.61 -40.91 1.99 0.02 97.99 0.43 0.17 1.23 96.95 1.20 0.00 0.01 0.00 76 R H H 150.05 1.70 21.96 22.29 91.95 50.70 -65.06 -39.62 5.12 0.03 94.85 0.62 0.38 3.93 93.02 2.02 0.01 0.01 0.01 77 E H H 70.90 10.60 18.64 29.73 92.32 49.07 -68.36 -36.19 8.26 0.04 91.69 0.79 0.62 6.58 90.30 1.65 0.02 0.02 0.02 78 L H H 13.93 22.26 12.99 34.90 95.05 50.80 -80.42 -17.80 33.52 0.92 65.56 7.98 4.47 21.44 62.33 2.83 0.08 0.43 0.43 79 R C T 134.49 7.02 18.58 26.69 96.00 84.71 -64.82 -19.04 67.89 2.46 29.66 25.57 5.08 35.36 27.88 3.75 0.02 1.42 0.93 80 I C C 91.12 8.34 14.96 24.06 98.19 68.45 -84.19 -3.21 79.32 5.66 15.02 52.48 14.01 11.88 13.24 2.95 0.01 2.83 2.59 81 R C C 100.23 10.01 12.38 23.24 118.92 93.77 -98.45 141.30 87.64 5.91 6.46 71.46 10.39 5.35 4.35 2.39 0.00 3.34 2.71 82 D C T 120.06 2.04 16.09 18.81 95.67 -136.85 -69.07 -20.41 93.18 2.63 4.19 8.21 26.76 59.00 1.05 2.58 0.01 1.77 0.63 83 N C T 80.14 8.56 15.67 25.10 96.87 55.44 -89.09 1.28 92.45 4.94 2.62 13.56 18.13 60.84 0.37 2.22 0.00 4.43 0.45 84 V E E 24.01 20.45 11.03 31.01 112.94 108.89 -86.89 123.20 22.93 76.73 0.34 20.12 2.23 0.35 0.21 0.18 0.00 72.29 4.63 85 R E E 110.65 7.08 20.02 27.96 99.95 175.73 -91.59 -34.14 26.71 72.97 0.32 22.49 3.23 0.43 0.15 0.15 0.00 73.06 0.49 86 R E E 85.23 9.22 21.56 31.51 139.23 2.80 -151.43 147.43 20.22 79.32 0.46 17.19 2.14 0.44 0.15 0.22 0.00 79.56 0.30 87 V E E 38.44 20.69 15.59 35.27 127.32 -165.46 -130.81 133.88 13.73 85.94 0.33 12.80 0.64 0.16 0.14 0.11 0.00 85.89 0.27 88 M E E 60.62 10.37 23.01 33.98 122.52 -168.57 -120.79 131.29 12.40 87.47 0.13 11.64 0.38 0.07 0.05 0.04 0.00 87.65 0.16 89 V E E 41.58 17.15 18.18 35.14 118.39 -158.62 -107.44 126.97 6.88 93.08 0.04 6.81 0.13 0.02 0.02 0.01 0.00 92.85 0.16 90 V E E 44.21 11.92 18.84 31.77 125.05 -172.00 -120.59 139.02 5.97 94.00 0.03 5.81 0.18 0.02 0.02 0.01 0.00 93.48 0.47 91 K E E 91.45 10.35 16.72 27.83 115.38 -133.88 -91.24 130.81 21.01 78.84 0.15 19.86 0.93 0.14 0.07 0.07 0.00 78.02 0.91 92 S C C 55.81 10.64 13.21 24.49 100.61 -139.04 -74.90 -16.99 84.98 13.31 1.71 38.87 31.25 14.45 0.19 1.64 0.00 12.99 0.60 93 Q C C 129.04 2.80 14.99 18.77 104.04 57.03 -88.48 20.60 91.51 6.62 1.87 43.72 32.60 15.32 0.24 1.88 0.00 5.48 0.76 94 E C C 99.99 7.36 11.29 20.21 116.53 104.47 -90.15 135.02 94.17 3.82 2.01 73.40 19.06 1.93 0.66 1.29 0.00 2.93 0.73 95 P C C 84.33 5.40 12.90 19.93 111.45 -109.79 -67.77 145.01 91.90 3.09 5.01 80.93 6.27 4.91 1.31 3.57 0.00 2.27 0.73 96 F C C 111.30 9.08 10.30 20.38 109.84 -129.61 -88.10 123.16 89.65 4.62 5.73 75.15 8.43 6.11 1.71 3.97 0.00 3.01 1.62 97 L C C 105.63 5.21 10.80 17.63 112.12 -153.38 -94.99 120.99 89.68 5.78 4.54 74.57 9.60 5.19 1.64 2.90 0.00 3.67 2.42 98 A C C 71.20 5.33 8.77 15.79 111.07 -142.98 -86.95 128.60 96.08 2.26 1.66 89.62 3.28 3.52 0.62 0.84 0.00 1.44 0.68 99 N C C 128.96 1.83 12.97 15.69 105.18 -107.91 -83.43 72.93 99.93 0.05 0.02 99.73 0.14 0.08 0.00 0.00 0.00 0.03 0.01