# 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 E C C 123.30 4.68 19.34 24.93 113.85 -130.07 -84.71 133.45 99.79 0.20 0.01 99.76 0.08 0.03 0.00 0.00 0.00 0.11 0.02 1 W C C 93.62 16.02 11.15 26.41 113.97 -128.51 -87.10 129.63 87.54 11.09 1.36 86.11 0.86 1.38 0.51 0.54 0.00 7.48 3.13 2 T C C 73.07 6.94 16.05 24.02 111.41 -174.83 -107.23 98.31 81.79 16.28 1.93 61.24 11.02 8.85 0.58 1.50 0.00 12.25 4.56 3 G C C 36.67 9.65 13.59 23.80 112.37 -64.64 86.90 6.41 83.91 14.37 1.72 38.71 32.72 13.41 0.32 1.56 0.00 10.44 2.84 4 D C C 75.12 6.48 14.08 21.85 117.41 105.98 -94.10 140.82 86.51 10.30 3.20 60.88 17.48 7.88 0.83 2.58 0.00 6.64 3.71 5 N C T 101.21 7.44 12.47 21.07 98.75 -142.09 -82.94 -3.59 87.48 4.05 8.47 25.73 27.80 34.79 1.56 6.39 0.01 2.37 1.35 6 T C T 94.21 3.64 14.61 19.34 100.43 70.32 -86.63 -7.76 86.72 4.50 8.78 19.37 30.60 37.74 1.56 6.48 0.01 2.76 1.47 7 N C C 88.63 7.35 14.43 22.80 108.12 64.32 -96.62 72.24 84.35 9.88 5.77 37.04 31.79 16.49 1.03 4.70 0.00 6.63 2.32 8 A C C 48.13 10.46 15.48 26.70 111.94 147.13 -96.94 123.01 79.14 18.96 1.89 50.48 20.36 8.18 0.33 1.72 0.00 17.32 1.60 9 Y C E 88.13 13.55 16.49 30.04 122.71 79.63 -109.85 139.07 50.58 48.68 0.74 39.21 8.65 2.38 0.20 0.69 0.00 45.14 3.76 10 Y E E 57.77 16.20 16.95 33.16 125.07 -165.93 -120.09 137.34 32.62 67.16 0.22 30.24 1.74 0.34 0.08 0.16 0.00 64.47 2.98 11 S E E 48.32 10.13 20.29 30.75 129.47 -165.88 -118.37 152.48 32.99 66.80 0.22 21.08 9.25 3.24 0.03 0.23 0.00 65.45 0.72 12 D E E 85.85 6.39 22.18 29.16 94.50 13.16 61.66 33.63 34.33 65.52 0.15 12.55 16.90 3.82 0.01 0.15 0.00 66.36 0.22 13 E E E 25.93 19.47 16.93 36.30 124.53 140.17 -105.46 144.47 14.79 85.19 0.02 13.13 1.07 0.06 0.00 0.01 0.00 85.55 0.16 14 V E E 40.95 11.69 25.94 38.18 120.02 -150.03 -112.04 129.97 1.43 98.56 0.00 1.32 0.04 0.00 0.00 0.00 0.00 98.54 0.09 15 I E E 4.49 25.60 16.64 43.33 110.92 -138.72 -89.33 121.19 0.81 99.19 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.23 0.01 16 S E E 42.27 8.85 24.17 33.71 103.59 173.31 -102.28 -32.94 3.26 96.73 0.01 2.05 0.76 0.05 0.00 0.00 0.00 97.12 0.02 17 E E E 83.84 7.30 25.79 33.72 131.26 4.47 -154.33 139.24 3.22 96.77 0.01 2.00 0.73 0.05 0.00 0.00 0.00 97.21 0.01 18 L E E 21.13 24.10 15.45 38.86 124.27 -164.24 -121.82 132.65 1.56 98.44 0.00 1.42 0.05 0.00 0.00 0.00 0.00 98.51 0.01 19 H E E 57.84 10.78 25.81 36.98 130.11 -174.96 -130.56 144.72 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 20 V E E 45.41 19.92 18.25 36.68 130.38 -166.51 -129.22 141.87 0.51 99.49 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.00 21 G E E 14.51 10.05 21.80 33.34 143.63 139.49 -165.71 -175.58 1.98 98.02 0.00 1.54 0.16 0.01 0.00 0.00 0.00 98.27 0.01 22 Q E E 92.68 7.83 20.05 28.82 121.84 -87.99 -109.95 137.38 4.63 95.35 0.01 3.98 0.32 0.03 0.00 0.01 0.00 95.50 0.15 23 I E E 28.09 19.50 11.30 30.10 117.82 -169.99 -121.50 119.02 16.05 83.53 0.42 9.08 4.72 3.57 0.06 0.45 0.00 80.92 1.19 24 D C T 106.50 4.10 15.16 20.58 95.15 -17.11 53.74 38.88 99.26 0.36 0.39 1.00 10.17 88.04 0.01 0.46 0.00 0.28 0.05 25 T C T 117.65 1.47 15.75 17.11 95.43 -51.53 67.46 7.96 99.43 0.15 0.41 0.96 11.54 86.90 0.01 0.46 0.00 0.11 0.03 26 S E E 38.67 10.07 13.85 25.44 126.27 106.63 -112.45 149.63 20.51 79.45 0.04 9.08 12.78 0.57 0.00 0.04 0.00 76.63 0.90 27 P E E 49.79 10.81 19.23 30.85 113.96 -108.03 -71.59 141.88 16.01 83.99 0.00 14.41 0.39 0.01 0.00 0.00 0.00 85.10 0.07 28 Y E E 19.64 20.26 19.47 39.52 136.73 172.35 -138.76 156.98 1.83 98.17 0.00 1.61 0.06 0.00 0.00 0.00 0.00 98.30 0.02 29 F E E 8.50 22.59 24.62 46.92 121.93 -134.97 -110.31 136.21 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 30 C E E 5.09 22.41 26.69 48.41 124.60 -161.17 -116.34 137.67 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 31 I E E 2.07 26.34 24.46 50.85 120.81 -158.42 -113.12 129.10 0.14 99.86 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 32 K E E 33.25 17.12 27.67 44.12 126.82 -170.86 -122.40 141.79 0.18 99.81 0.00 0.14 0.01 0.00 0.00 0.00 0.00 99.85 0.00 33 T E E 7.45 23.09 21.23 44.05 125.32 -159.37 -115.45 138.27 0.38 99.62 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 34 V E E 27.79 13.01 21.48 35.61 128.84 -171.62 -127.56 144.61 1.80 98.20 0.01 1.58 0.10 0.01 0.00 0.00 0.00 98.17 0.14 35 K E E 71.72 9.96 17.83 28.80 115.10 -111.52 -72.36 147.75 28.67 71.15 0.18 26.11 1.74 0.25 0.05 0.12 0.00 70.72 1.00 36 A C T 57.92 11.07 13.13 24.67 94.05 -111.68 -63.42 -26.84 93.81 2.46 3.73 4.73 17.59 71.03 0.19 4.02 0.00 2.00 0.44 37 N C T 126.22 1.38 15.73 16.46 98.18 54.78 -84.58 11.50 94.51 0.90 4.59 3.01 17.05 73.88 0.23 4.95 0.00 0.60 0.30 38 G C S 48.74 5.70 11.39 18.47 98.82 -101.27 83.80 3.54 93.66 2.59 3.75 23.61 48.97 20.51 0.27 4.15 0.00 1.45 1.04 39 S C C 78.10 2.56 13.27 16.92 110.44 124.76 -89.93 129.51 96.94 2.26 0.80 49.16 31.50 16.23 0.10 0.94 0.00 1.28 0.78 40 G C S 47.76 3.28 14.62 19.16 120.90 29.50 105.12 -171.34 96.69 2.96 0.35 28.87 63.17 4.84 0.04 0.38 0.00 1.93 0.78 41 T C C 85.37 4.04 18.26 23.11 118.57 -33.50 -89.34 139.78 95.51 4.44 0.05 59.12 36.64 0.40 0.01 0.05 0.00 3.28 0.50 42 P C C 51.95 15.10 15.92 30.89 114.92 -107.52 -67.16 146.11 89.19 10.77 0.03 84.96 3.73 0.15 0.00 0.03 0.00 10.73 0.39 43 V E E 20.94 19.14 18.90 38.12 117.55 -137.03 -100.64 132.39 3.25 96.74 0.01 2.99 0.21 0.01 0.00 0.00 0.00 96.51 0.29 44 V E E 44.35 15.42 25.87 40.61 119.37 -148.74 -106.41 131.79 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 45 A E E 2.86 25.09 22.99 47.73 132.65 -175.37 -132.49 151.38 0.91 99.08 0.00 0.77 0.05 0.00 0.00 0.00 0.00 99.17 0.01 46 C E E 7.75 21.97 27.40 48.53 128.69 -158.38 -124.52 144.78 1.05 98.95 0.00 0.91 0.05 0.00 0.00 0.00 0.00 99.02 0.02 47 A E E 6.27 23.32 25.62 48.09 126.15 -157.92 -117.17 140.24 1.78 98.21 0.01 1.57 0.08 0.01 0.00 0.00 0.00 98.24 0.10 48 V E E 15.81 19.59 23.28 42.41 125.86 -166.03 -121.00 138.45 10.26 89.68 0.05 9.08 0.85 0.09 0.02 0.03 0.00 89.35 0.57 49 S E E 30.53 13.86 19.94 33.94 114.44 -115.92 -74.88 144.26 42.92 56.10 0.98 31.43 10.47 2.39 0.22 0.79 0.00 53.44 1.27 50 K C T 109.06 10.18 17.91 28.25 99.04 -131.00 -75.86 -11.50 85.01 10.48 4.51 14.51 32.45 38.61 0.62 3.61 0.01 8.93 1.26 51 Q C T 122.67 3.67 18.84 23.07 100.78 57.96 -91.91 15.54 88.66 5.36 5.98 23.27 25.71 40.24 1.04 4.78 0.00 3.72 1.23 52 S C C 33.77 14.68 11.89 26.46 122.82 109.24 -98.17 156.18 75.71 16.16 8.13 50.53 17.97 7.10 2.76 5.55 0.01 10.37 5.69 53 I C C 107.37 5.79 19.74 26.09 95.15 -129.59 -75.51 -17.18 73.86 14.77 11.37 27.68 26.66 21.28 4.53 6.26 0.12 9.23 4.25 54 W C C 51.07 18.53 14.41 32.28 95.21 60.11 -85.48 -7.05 74.95 5.99 19.06 31.23 17.55 27.26 9.61 8.53 0.07 3.14 2.62 55 A H H 33.34 14.62 15.68 30.62 93.16 94.16 -59.70 -42.54 25.28 0.55 74.17 10.56 4.70 9.72 55.55 18.94 0.03 0.30 0.21 56 P H H 85.90 2.56 22.92 24.65 91.32 53.10 -64.76 -34.67 20.30 0.13 79.57 2.24 1.81 14.27 59.65 21.86 0.05 0.08 0.06 57 S H H 22.01 14.37 18.24 33.15 93.48 51.96 -74.18 -25.20 16.51 0.13 83.37 2.57 1.46 10.75 60.06 25.02 0.02 0.07 0.05 58 F H H 11.62 24.40 16.10 40.00 92.17 63.12 -63.69 -41.14 4.67 0.06 95.28 2.24 0.82 1.88 92.39 2.62 0.00 0.03 0.02 59 K H H 114.92 5.85 23.57 30.31 91.38 52.79 -62.98 -40.60 0.98 0.00 99.02 0.27 0.09 0.53 98.66 0.44 0.00 0.00 0.00 60 E H H 83.54 5.94 24.54 30.77 91.51 49.84 -64.69 -41.36 0.45 0.00 99.55 0.09 0.03 0.27 99.36 0.24 0.00 0.00 0.00 61 L H H 4.61 24.72 19.84 44.49 91.47 49.66 -64.40 -43.34 0.18 0.00 99.82 0.03 0.01 0.10 99.80 0.05 0.00 0.00 0.00 62 L H H 25.68 19.93 22.15 40.95 91.28 50.59 -62.79 -42.46 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 63 D H H 79.95 3.44 27.55 30.68 91.48 50.06 -64.21 -41.48 0.07 0.00 99.93 0.01 0.00 0.04 99.95 0.01 0.00 0.00 0.00 64 Q H H 37.15 13.84 23.96 37.78 91.70 49.85 -64.77 -41.83 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 65 A H H 0.87 27.52 18.60 46.98 90.64 50.89 -63.20 -42.93 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 66 R H H 93.22 11.94 24.43 35.90 91.34 51.16 -62.68 -42.13 0.11 0.00 99.89 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 67 Y H H 107.35 4.73 25.46 30.13 91.70 50.15 -64.16 -42.24 0.21 0.00 99.79 0.01 0.01 0.17 99.77 0.04 0.00 0.00 0.00 68 F H H 14.84 18.62 18.16 37.21 91.69 49.42 -64.38 -42.91 0.49 0.00 99.51 0.04 0.02 0.39 99.42 0.12 0.00 0.00 0.00 69 Y H H 56.56 17.53 16.83 33.53 92.02 49.11 -64.52 -41.29 1.23 0.00 98.76 0.07 0.06 1.08 98.45 0.34 0.00 0.00 0.00 70 S H H 71.91 4.84 18.88 24.65 91.14 52.97 -67.82 -27.78 7.83 0.01 92.16 0.20 0.28 7.45 91.55 0.50 0.01 0.00 0.01 71 T C T 75.55 5.37 16.81 23.24 92.99 51.55 -88.78 -3.39 66.73 0.06 33.22 0.52 1.85 63.16 33.35 1.04 0.01 0.02 0.05 72 G C T 48.75 4.18 18.21 23.35 95.34 -106.99 85.53 8.85 99.70 0.03 0.28 3.82 2.49 93.49 0.13 0.05 0.00 0.01 0.00 73 Q C C 62.21 11.95 15.54 28.44 118.69 142.88 -82.40 144.07 99.39 0.59 0.02 94.32 5.06 0.11 0.00 0.01 0.00 0.42 0.08 74 S C C 49.09 8.64 24.06 32.91 114.19 -113.24 -77.14 139.21 84.01 15.96 0.03 81.87 1.23 0.12 0.00 0.02 0.00 16.53 0.23 75 V E E 3.06 26.58 16.02 43.67 125.83 -162.33 -123.38 139.38 7.62 92.36 0.01 7.59 0.20 0.01 0.01 0.01 0.00 91.81 0.37 76 R E E 65.11 12.48 28.33 41.22 121.97 -160.78 -114.67 134.73 1.50 98.50 0.01 1.37 0.06 0.01 0.00 0.00 0.00 98.54 0.03 77 I E E 2.27 26.97 20.72 48.65 119.90 -159.82 -113.12 128.78 0.64 99.36 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.38 0.01 78 H E E 33.00 14.37 27.50 42.15 121.88 -167.81 -115.11 133.99 0.78 99.21 0.01 0.71 0.04 0.00 0.00 0.00 0.00 99.22 0.03 79 V E E 11.11 23.50 19.28 42.54 120.71 -160.45 -110.32 130.44 5.18 94.79 0.02 4.86 0.23 0.02 0.01 0.01 0.00 94.62 0.25 80 Q C C 54.41 12.90 20.12 33.25 116.80 -151.19 -101.57 133.36 56.55 43.18 0.27 52.17 2.81 0.38 0.06 0.19 0.00 43.65 0.74 81 K C T 114.36 8.52 18.63 27.73 109.28 -117.02 -67.32 134.24 85.54 6.95 7.52 7.65 16.12 62.48 0.91 6.13 0.01 5.78 0.93 82 N C T 102.69 5.36 19.67 25.88 94.63 18.03 63.64 18.40 88.39 2.65 8.96 12.85 15.25 60.60 1.42 7.34 0.00 1.84 0.69 83 I C C 34.15 15.89 16.14 32.30 97.69 118.65 -83.34 -28.10 78.25 6.50 15.25 46.70 18.56 13.16 2.68 12.73 0.01 3.76 2.41 84 W C C 34.75 21.00 12.36 32.57 108.96 57.68 -97.41 101.83 85.58 6.43 7.99 60.26 12.63 12.41 1.97 6.31 0.01 3.29 3.11 85 T C C 85.97 5.00 20.02 25.72 98.85 166.27 -99.59 -10.87 92.45 2.98 4.57 53.81 28.07 10.31 0.96 3.84 0.00 1.48 1.52 86 Y C C 71.85 11.63 12.48 25.54 110.92 89.58 -89.18 117.89 98.47 1.04 0.49 59.40 38.67 0.38 0.34 0.10 0.00 0.23 0.87 87 P H H 94.87 3.17 15.61 20.22 92.28 -145.95 -59.46 -35.92 8.03 0.02 91.95 0.64 0.92 6.45 88.51 3.44 0.03 0.01 0.01 88 L H H 86.01 4.84 17.32 23.24 91.24 56.64 -64.67 -35.99 5.97 0.02 94.02 0.29 0.40 5.43 89.91 3.91 0.04 0.01 0.01 89 F H H 14.06 21.33 12.97 34.05 93.90 46.59 -70.35 -39.54 3.60 0.03 96.37 0.36 0.30 2.82 91.63 4.83 0.03 0.02 0.01 90 V H H 42.55 15.07 14.57 29.62 91.78 52.38 -64.23 -38.48 4.04 0.09 95.87 0.55 0.45 2.80 92.39 3.61 0.12 0.05 0.04 91 N H H 120.98 1.32 21.53 21.31 92.29 50.90 -70.62 -27.21 18.31 0.07 81.62 0.55 0.74 17.09 77.39 4.09 0.06 0.04 0.03 92 T H H 51.26 11.23 18.19 29.75 97.89 43.71 -84.34 -32.75 25.62 0.10 74.28 0.86 1.72 23.08 70.87 3.26 0.10 0.05 0.06 93 F H H 13.57 24.17 13.36 36.85 112.19 45.41 -104.71 85.37 45.80 3.46 50.74 13.78 18.46 16.44 44.47 2.82 0.61 1.05 2.37 94 S C C 41.70 9.85 20.41 30.31 119.51 -136.81 -86.86 164.73 79.55 5.08 15.38 62.55 5.93 10.79 8.37 7.00 0.01 3.05 2.30 95 A C T 67.76 8.78 19.30 28.40 93.80 -94.17 -71.00 -17.92 79.65 3.29 17.06 7.60 22.09 51.38 4.96 10.39 0.07 2.18 1.34 96 N C T 79.39 9.90 21.88 31.73 100.85 60.20 -95.88 6.68 78.43 7.05 14.53 13.33 18.89 47.76 2.86 10.17 0.04 5.68 1.27 97 A C C 13.39 20.64 18.74 39.04 116.85 120.40 -87.24 139.59 65.34 30.59 4.07 45.14 16.70 4.43 1.12 2.78 0.01 27.73 2.09 98 L E E 33.33 19.01 23.25 41.48 110.54 -121.86 -80.89 125.91 16.55 82.66 0.79 14.69 1.76 0.50 0.42 0.38 0.00 80.58 1.67 99 V E E 28.39 19.91 22.65 41.41 102.67 175.23 -105.58 -19.84 7.53 92.23 0.24 5.53 1.72 0.39 0.08 0.11 0.00 91.87 0.30 100 G E E 12.75 15.13 26.11 41.17 145.31 -18.48 -164.82 162.48 3.08 96.83 0.09 2.26 0.50 0.13 0.02 0.04 0.00 96.97 0.08 101 L E E 38.16 21.88 20.51 41.08 131.06 -142.76 -133.04 144.74 3.96 95.98 0.07 3.58 0.26 0.04 0.03 0.02 0.00 95.74 0.31 102 S E E 25.00 15.68 24.06 39.23 139.64 171.70 -144.69 161.29 11.19 88.73 0.09 9.89 1.01 0.13 0.04 0.05 0.00 88.18 0.70 103 S E E 45.04 13.40 23.00 36.01 121.33 -121.35 -101.33 142.99 34.74 65.03 0.22 28.15 6.22 0.80 0.06 0.19 0.00 62.89 1.69 104 C C C 22.11 20.15 15.03 34.43 125.77 -161.00 -116.71 148.69 68.43 30.83 0.74 51.14 14.94 2.52 0.21 0.67 0.00 26.76 3.76 105 S C C 48.90 5.35 22.49 27.79 129.81 -154.76 -116.07 169.42 79.32 19.60 1.08 58.56 17.29 3.16 0.36 0.89 0.00 13.15 6.58 106 A C T 66.82 10.35 14.66 25.54 92.56 -92.30 -65.43 -24.09 88.77 1.62 9.61 7.21 27.61 54.67 1.32 7.48 0.00 1.02 0.68 107 T C T 103.28 2.18 18.03 20.10 99.86 42.10 -97.11 -13.54 89.39 1.30 9.31 8.33 23.63 57.90 1.34 7.42 0.00 0.81 0.57 108 Q C C 80.07 8.85 19.36 28.85 127.58 39.53 -133.96 139.18 69.24 22.27 8.49 29.58 20.70 21.40 1.71 6.37 0.07 15.73 4.43 109 C C C 23.45 20.54 16.31 36.14 124.75 -164.38 -113.14 141.10 59.18 38.56 2.26 44.29 9.32 4.69 0.89 1.64 0.01 32.04 7.12 110 F C E 36.11 18.87 21.19 39.23 112.51 -159.06 -108.34 101.92 51.93 46.33 1.74 31.72 15.55 5.12 0.76 1.29 0.05 34.59 10.91 111 G C C 12.79 16.66 19.30 35.27 135.80 61.70 143.32 -176.47 71.74 27.93 0.33 36.72 33.78 2.74 0.08 0.31 0.00 23.55 2.82 112 P C C 56.23 10.18 17.27 28.22 114.62 -53.20 -68.32 152.64 86.19 13.53 0.28 81.50 2.41 2.12 0.07 0.20 0.00 11.40 2.30 113 K C C 142.82 4.86 17.69 24.15 108.00 -102.31 -74.52 128.18 99.74 0.25 0.01 99.64 0.15 0.05 0.00 0.00 0.00 0.13 0.03