# 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 I C C 61.79 13.63 16.27 30.12 116.64 -158.84 -105.97 127.97 96.05 3.94 0.01 96.30 0.08 0.01 0.00 0.00 0.00 3.57 0.04 1 V E E 70.53 8.83 17.25 27.18 117.83 -159.49 -107.91 128.12 38.96 60.90 0.14 38.53 0.41 0.16 0.06 0.06 0.00 59.16 1.63 2 L E E 59.76 13.79 13.43 27.71 118.09 -158.98 -103.07 131.20 28.01 71.76 0.24 25.32 1.77 0.36 0.07 0.16 0.00 71.19 1.12 3 T E E 69.18 8.34 17.43 26.82 123.60 -168.34 -117.70 141.06 30.21 69.53 0.25 25.94 3.04 0.74 0.07 0.21 0.00 68.30 1.71 4 Q E E 86.03 12.10 14.85 27.23 121.78 -153.61 -111.24 139.68 48.78 51.01 0.20 37.95 9.36 1.21 0.05 0.21 0.00 49.12 2.11 5 S C C 44.15 11.03 14.45 26.35 117.85 -119.53 -86.34 145.61 83.16 16.76 0.08 69.08 12.33 0.55 0.01 0.08 0.00 17.24 0.70 6 P C C 84.12 6.38 17.12 24.35 98.60 -122.55 -70.52 -18.26 87.26 12.55 0.18 45.96 37.08 3.20 0.02 0.22 0.00 13.11 0.41 7 F E E 100.68 10.77 15.17 26.41 125.06 28.61 -117.17 140.42 48.92 50.83 0.25 35.54 10.55 2.20 0.02 0.28 0.00 50.76 0.64 8 Q E E 74.04 12.04 16.76 29.19 125.33 -176.70 -124.99 143.08 10.80 89.15 0.05 9.18 1.48 0.13 0.01 0.04 0.00 88.60 0.56 9 S E E 62.16 8.51 20.52 29.95 126.65 -147.88 -120.42 143.19 5.00 94.98 0.01 4.35 0.56 0.04 0.00 0.01 0.00 94.72 0.32 10 V E E 18.17 19.78 14.12 33.80 130.29 -175.56 -133.69 145.34 13.69 86.30 0.01 13.13 0.54 0.02 0.00 0.01 0.00 84.89 1.41 11 S C C 51.42 5.09 23.02 27.89 122.09 -127.91 -84.61 158.11 91.27 8.71 0.02 90.37 1.14 0.08 0.00 0.01 0.00 7.99 0.40 12 P C T 51.73 14.06 14.14 28.40 109.97 -81.96 -61.09 138.92 99.09 0.49 0.42 0.37 3.41 95.56 0.02 0.29 0.00 0.28 0.08 13 K C T 139.41 4.14 19.23 24.23 93.45 14.36 74.01 5.46 99.23 0.42 0.35 0.71 3.99 94.67 0.02 0.27 0.00 0.30 0.03 14 E C C 80.83 8.48 16.64 26.36 121.66 124.13 -88.42 148.73 89.65 10.10 0.25 67.30 21.66 0.63 0.04 0.23 0.00 9.47 0.68 15 K E E 116.34 7.97 18.34 27.65 119.32 -132.61 -98.10 137.02 41.03 58.95 0.02 40.56 0.59 0.04 0.00 0.01 0.00 58.23 0.56 16 V E E 15.77 20.21 14.72 35.03 130.03 -173.84 -130.92 146.29 1.17 98.83 0.00 1.16 0.02 0.00 0.00 0.00 0.00 98.76 0.06 17 T E E 64.61 8.21 23.73 32.54 120.16 -145.60 -111.76 130.36 0.47 99.53 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 18 I E E 7.20 24.68 16.39 41.52 121.37 -166.98 -115.69 131.18 1.33 98.67 0.00 1.18 0.05 0.00 0.00 0.00 0.00 98.75 0.02 19 T E E 49.08 9.20 26.14 35.93 121.99 -163.10 -111.65 136.11 6.33 93.67 0.00 5.77 0.22 0.01 0.00 0.00 0.00 93.96 0.05 20 C E E 5.88 24.85 16.50 41.55 129.31 -174.92 -131.26 143.08 7.24 92.75 0.01 6.61 0.27 0.01 0.00 0.00 0.00 92.94 0.16 21 R E E 110.09 6.89 26.70 34.35 119.76 -156.02 -112.20 131.13 6.13 93.84 0.03 5.74 0.31 0.03 0.01 0.01 0.00 92.84 1.05 22 A E E 10.44 23.47 13.47 36.49 121.80 -160.10 -104.63 142.55 45.25 54.40 0.35 42.74 1.75 0.32 0.12 0.22 0.00 52.76 2.08 23 S C C 51.41 7.21 20.14 27.78 117.54 -147.46 -89.34 156.76 83.92 15.07 1.01 49.52 29.88 4.57 0.15 0.96 0.00 13.81 1.09 24 Q C S 122.00 4.85 17.72 23.37 103.07 -59.22 -79.68 -4.01 91.94 5.36 2.70 18.51 58.41 15.61 0.43 2.03 0.00 4.00 1.00 25 S C C 63.00 6.72 18.24 25.64 114.08 48.88 -102.62 117.78 90.90 5.24 3.86 47.34 28.59 15.09 0.69 3.43 0.00 3.39 1.47 26 I C C 57.78 16.08 15.83 31.08 105.91 -129.11 -88.23 40.98 84.41 8.34 7.26 38.58 26.80 19.72 1.25 6.03 0.01 5.10 2.51 27 S C C 32.46 13.97 18.40 32.43 120.76 75.05 -105.96 147.53 83.49 9.02 7.49 50.34 16.14 16.85 0.94 7.13 0.00 6.82 1.77 28 S C S 52.54 11.37 20.75 31.98 103.25 -150.91 -97.66 -5.88 81.63 13.20 5.17 24.45 36.29 21.95 0.45 4.72 0.01 10.88 1.26 29 N C E 62.87 10.50 23.39 34.12 109.49 49.74 -100.99 92.62 57.50 38.87 3.63 28.43 13.61 16.33 0.33 3.42 0.00 37.01 0.86 30 L E E 5.83 25.39 16.71 42.33 122.93 122.88 -110.72 138.91 18.45 81.48 0.07 16.29 1.69 0.15 0.01 0.05 0.00 81.43 0.38 31 H E E 42.61 13.77 27.75 41.73 130.75 -172.01 -129.82 147.67 1.52 98.47 0.00 1.43 0.06 0.00 0.00 0.00 0.00 98.45 0.05 32 W E E 11.17 24.07 21.28 45.38 123.35 -147.23 -110.29 138.10 0.56 99.44 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.45 0.01 33 Y E E 27.65 15.92 23.20 39.42 131.46 -173.91 -128.41 149.23 0.65 99.35 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.37 0.02 34 Q E E 42.94 13.97 20.64 35.13 121.87 -151.44 -112.86 135.10 2.72 97.28 0.00 2.33 0.18 0.01 0.00 0.00 0.00 97.41 0.07 35 Q E E 58.02 13.15 15.14 28.98 116.77 -140.51 -95.69 131.07 29.34 70.64 0.02 26.75 1.66 0.07 0.00 0.01 0.00 70.45 1.05 36 K C C 89.98 6.72 14.29 22.52 120.56 -149.87 -94.23 152.45 98.14 1.85 0.02 96.82 1.54 0.09 0.00 0.01 0.00 1.26 0.27 37 P C T 101.45 3.65 11.26 16.67 108.09 -91.01 -60.31 137.63 99.70 0.08 0.21 0.35 3.81 95.56 0.01 0.21 0.00 0.05 0.02 38 D C T 137.54 0.36 12.56 10.88 95.88 13.59 72.17 7.30 99.70 0.06 0.24 0.41 3.49 95.79 0.00 0.25 0.00 0.04 0.01 39 Q C S 90.05 5.50 9.40 16.97 128.99 93.83 -117.98 157.59 93.96 5.61 0.43 27.87 65.09 1.46 0.06 0.39 0.00 2.21 2.90 40 S C C 78.78 1.79 16.59 18.05 117.10 -98.27 -70.20 150.48 97.42 2.54 0.04 85.25 12.02 0.28 0.01 0.03 0.00 2.10 0.31 41 P C C 53.17 16.16 10.98 26.57 114.96 -99.89 -66.28 144.28 90.75 9.22 0.03 88.27 2.13 0.15 0.00 0.03 0.00 9.19 0.23 42 K E E 91.08 8.12 19.68 28.80 124.78 -162.07 -122.63 139.40 6.59 93.37 0.04 5.84 0.59 0.05 0.01 0.02 0.00 92.95 0.53 43 L E E 68.22 14.35 17.87 32.05 110.85 -114.82 -75.78 126.44 0.81 99.18 0.01 0.71 0.04 0.00 0.00 0.00 0.00 99.22 0.03 44 L E E 24.20 18.00 19.85 37.93 101.16 175.83 -96.26 -34.59 2.24 97.74 0.02 1.38 0.67 0.03 0.00 0.00 0.00 97.91 0.01 45 I E E 14.18 20.55 20.37 40.89 136.21 5.16 -148.46 142.66 0.51 99.48 0.01 0.40 0.04 0.00 0.00 0.00 0.00 99.54 0.01 46 K E E 71.91 15.37 22.41 36.92 127.99 -171.68 -132.26 136.86 2.55 97.39 0.06 2.11 0.19 0.04 0.02 0.02 0.00 97.54 0.08 47 Y E E 45.02 17.43 19.66 36.65 122.76 -168.48 -117.61 133.49 23.76 75.40 0.84 17.99 4.80 1.36 0.32 0.46 0.00 74.45 0.62 48 A C C 43.93 12.43 19.05 31.54 109.54 -159.61 -97.03 99.15 61.23 33.86 4.92 37.27 16.22 8.71 1.49 3.12 0.02 31.73 1.44 49 S C C 43.26 10.24 17.28 28.23 124.68 132.10 -118.67 155.60 76.39 15.66 7.95 35.62 25.44 16.88 2.08 5.44 0.04 12.25 2.26 50 Q C C 114.08 7.56 16.01 24.59 101.83 -131.03 -86.31 3.52 75.15 13.26 11.60 29.16 28.90 19.22 3.32 7.22 0.09 9.12 2.96 51 S C C 68.04 5.40 16.43 22.90 114.17 78.53 -99.33 126.61 72.18 19.01 8.82 43.13 16.96 13.28 2.76 5.84 0.03 14.21 3.78 52 I C C 68.17 14.33 10.99 24.93 112.76 -157.28 -98.69 117.48 72.03 20.84 7.13 48.17 12.96 10.61 2.75 4.41 0.02 15.14 5.92 53 S C T 78.03 3.87 16.06 21.14 112.78 170.22 -102.17 119.14 82.82 12.49 4.69 29.83 20.71 33.59 1.40 2.96 0.02 8.70 2.78 54 G C S 49.09 4.36 16.90 22.18 107.38 11.14 86.38 -5.41 91.13 6.52 2.35 20.70 37.64 33.42 0.36 1.97 0.00 4.58 1.33 55 I C C 55.33 14.79 12.96 27.74 116.85 81.30 -100.52 130.66 82.54 16.28 1.19 46.03 34.13 3.23 0.42 0.83 0.00 9.44 5.91 56 P C C 56.78 10.40 16.50 27.76 109.48 -109.89 -67.03 146.88 79.21 11.51 9.27 52.17 12.41 14.32 1.77 8.00 0.00 9.12 2.21 57 S C C 61.93 10.23 17.19 27.51 97.12 -113.27 -73.50 -9.43 74.47 11.49 14.04 34.62 19.29 22.06 1.77 12.00 0.02 8.70 1.54 58 R C C 109.31 9.85 20.23 30.11 104.50 66.28 -98.55 33.36 59.00 27.08 13.92 30.63 16.50 14.10 2.13 10.76 0.03 24.27 1.59 59 F E E 26.60 22.87 13.49 35.57 122.37 105.97 -111.18 138.45 26.72 71.32 1.96 21.67 4.62 1.56 0.82 1.13 0.00 68.37 1.82 60 S E E 54.37 6.87 23.80 31.81 134.53 171.71 -136.23 156.39 11.33 88.32 0.35 9.73 1.37 0.34 0.16 0.16 0.00 87.31 0.93 61 G E E 23.28 17.73 16.08 32.71 141.27 164.47 -161.96 170.00 11.52 88.30 0.17 9.72 1.50 0.31 0.05 0.09 0.00 87.67 0.65 62 S E E 64.29 5.35 21.73 28.78 134.95 -158.68 -145.80 155.71 18.37 81.47 0.16 15.74 2.07 0.42 0.04 0.11 0.00 80.83 0.79 63 G E E 28.88 12.30 15.39 28.10 139.38 137.41 -157.72 168.09 37.31 62.46 0.23 26.40 10.20 1.73 0.04 0.24 0.00 60.15 1.25 64 S C C 76.24 3.38 21.01 24.94 116.02 -118.20 -119.38 120.37 61.77 37.53 0.70 37.34 20.05 6.19 0.12 0.76 0.00 32.23 3.32 65 G C S 32.39 10.72 18.73 29.29 109.04 -46.11 67.56 -129.32 97.53 1.73 0.74 3.42 57.16 37.13 0.03 0.74 0.00 1.33 0.20 66 T C S 57.24 13.93 16.91 30.71 97.92 -10.60 -99.13 -1.97 97.25 2.17 0.58 3.33 58.00 36.09 0.02 0.56 0.00 1.81 0.19 67 D E E 62.61 8.58 22.38 32.07 121.38 83.11 -110.23 132.51 36.05 63.74 0.21 25.21 10.35 1.43 0.03 0.24 0.00 59.92 2.80 68 F E E 7.99 24.56 15.86 40.83 128.83 -174.64 -128.02 142.19 14.95 85.05 0.01 14.18 0.44 0.03 0.00 0.00 0.00 84.96 0.39 69 T E E 37.24 10.17 27.18 38.39 122.09 -159.55 -117.79 133.69 4.64 95.36 0.00 4.09 0.21 0.00 0.00 0.00 0.00 95.62 0.09 70 L E E 2.87 26.24 18.92 46.12 119.98 -163.99 -112.75 128.49 0.48 99.52 0.00 0.52 0.00 0.00 0.00 0.00 0.00 99.46 0.00 71 T E E 39.54 10.04 27.23 38.14 120.55 -165.02 -115.63 129.07 0.15 99.85 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.01 72 I E E 6.96 24.29 15.95 40.90 118.00 -165.88 -111.82 124.28 2.49 97.51 0.00 2.60 0.03 0.00 0.00 0.00 0.00 96.89 0.48 73 N C C 76.73 6.34 23.20 29.71 114.71 -173.13 -98.77 145.85 93.60 6.33 0.07 47.42 39.59 5.46 0.00 0.12 0.00 7.17 0.23 74 S C S 60.36 4.95 24.26 29.23 107.20 9.66 -133.54 80.50 99.10 0.87 0.04 9.51 82.98 6.66 0.00 0.05 0.00 0.71 0.08 75 L C C 17.44 24.00 11.05 34.68 112.57 -139.16 -74.10 132.18 99.39 0.60 0.01 98.52 0.99 0.02 0.00 0.00 0.00 0.22 0.23 76 E C C 84.30 4.44 24.20 28.47 132.09 169.21 -128.87 159.47 99.43 0.54 0.04 99.11 0.41 0.01 0.01 0.01 0.00 0.08 0.37 77 A H G 57.17 12.74 15.26 28.15 91.04 -105.19 -59.05 -32.10 2.69 0.02 97.29 0.16 0.18 1.64 0.22 97.79 0.00 0.02 0.00 78 E H G 124.91 3.77 21.72 26.27 90.12 63.40 -70.44 -16.56 2.35 0.03 97.62 0.09 0.14 1.53 0.15 98.07 0.00 0.03 0.00 79 D H G 11.01 21.58 16.56 38.57 93.82 61.20 -86.84 -4.36 3.27 0.04 96.69 0.37 0.30 1.49 0.20 97.60 0.00 0.04 0.00 80 F C C 46.59 17.96 20.28 38.04 116.36 108.85 -75.76 139.67 91.96 7.97 0.07 89.41 2.53 0.06 0.01 0.06 0.00 7.72 0.22 81 G E E 8.65 13.72 24.30 39.21 143.78 112.26 161.46 -171.45 2.93 97.07 0.00 2.69 0.19 0.01 0.00 0.00 0.00 96.90 0.21 82 I E E 38.09 15.22 25.41 40.62 119.91 -52.82 -105.90 133.06 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.57 0.01 83 Y E E 6.19 25.29 21.03 46.45 123.02 -164.40 -115.10 136.81 0.28 99.72 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.75 0.00 84 F E E 22.18 17.68 27.34 44.65 129.99 -170.65 -124.31 145.20 0.55 99.45 0.00 0.44 0.03 0.00 0.00 0.00 0.00 99.52 0.01 85 C E E 2.79 25.30 21.50 47.12 123.66 -158.23 -116.41 137.79 2.86 97.05 0.08 2.28 0.32 0.06 0.02 0.04 0.00 97.21 0.08 86 Q E E 34.21 14.56 25.60 40.12 126.80 -169.21 -123.17 141.94 3.87 95.99 0.14 3.31 0.31 0.07 0.05 0.06 0.00 96.01 0.19 87 Q E E 33.95 17.60 18.40 35.83 119.24 -146.08 -104.55 135.28 14.34 85.41 0.25 11.86 2.02 0.44 0.06 0.16 0.00 84.98 0.47 88 T E E 47.96 10.81 16.79 28.66 117.35 -167.14 -110.53 132.46 44.98 54.63 0.39 35.33 7.66 1.67 0.06 0.35 0.00 53.88 1.05 89 N C C 81.85 7.27 13.34 21.80 116.35 152.95 -110.48 150.24 80.42 18.62 0.96 34.84 30.85 14.83 0.10 0.97 0.00 17.22 1.18 90 F C S 162.03 2.31 14.15 17.16 99.56 -40.28 -77.70 -1.91 96.61 2.43 0.96 20.09 51.04 25.55 0.08 1.03 0.00 1.78 0.43 91 W C S 140.24 4.98 11.81 18.62 122.81 52.80 -117.93 138.32 93.99 5.13 0.88 21.32 58.92 13.83 0.09 0.91 0.00 4.17 0.78 92 P C C 80.66 4.74 16.36 21.94 115.02 -77.00 -69.29 148.86 78.86 20.60 0.54 51.49 21.11 5.06 0.06 0.58 0.00 20.96 0.74 93 Y E E 77.50 16.09 12.85 28.53 115.48 -114.54 -82.76 136.15 44.55 55.16 0.30 38.99 3.14 0.84 0.05 0.24 0.00 56.09 0.65 94 I E E 61.77 10.61 20.72 31.98 123.83 -166.92 -118.63 137.71 10.68 89.25 0.07 9.50 0.78 0.14 0.02 0.05 0.00 86.81 2.68 95 F E E 57.00 18.41 17.02 34.56 117.63 -132.86 -94.31 134.57 15.67 84.21 0.12 13.21 1.89 0.36 0.04 0.09 0.00 81.98 2.44 96 G C C 18.07 14.72 18.28 32.77 118.98 -142.88 -83.07 -170.67 61.88 37.93 0.19 44.31 14.14 2.04 0.02 0.19 0.00 38.57 0.72 97 Q C C 111.24 5.91 23.39 29.58 108.18 -72.96 -79.75 115.24 72.79 27.01 0.20 59.10 10.28 1.43 0.03 0.20 0.00 28.44 0.53 98 G C C 14.94 18.64 17.16 34.62 128.24 -130.12 -85.14 170.20 60.60 39.32 0.08 54.05 4.08 0.37 0.01 0.07 0.00 40.96 0.45 99 T E E 23.89 17.24 19.63 36.95 128.33 -112.90 -124.53 145.90 6.57 93.40 0.02 6.02 0.38 0.03 0.00 0.01 0.00 93.23 0.32 100 K E E 97.90 9.20 24.36 33.79 118.94 -137.40 -98.13 133.17 1.40 98.60 0.00 1.23 0.07 0.00 0.00 0.00 0.00 98.66 0.04 101 L E E 9.60 24.12 15.07 39.38 120.71 -161.33 -111.53 133.28 1.37 98.62 0.00 1.32 0.03 0.00 0.00 0.00 0.00 98.62 0.02 102 E E E 80.11 7.21 25.09 32.68 121.12 -162.78 -113.13 131.85 0.96 99.03 0.01 0.93 0.03 0.00 0.00 0.00 0.00 99.00 0.03 103 I E E 23.16 20.48 13.37 33.88 115.91 -149.34 -100.57 126.48 4.68 95.28 0.03 4.50 0.18 0.02 0.01 0.01 0.00 95.01 0.26 104 L E E 78.18 6.92 16.61 24.76 120.35 -161.30 -103.59 143.70 34.26 65.56 0.18 29.77 3.16 0.54 0.04 0.14 0.00 65.53 0.82 105 K C C 131.32 5.20 12.09 19.16 113.75 -114.05 -84.49 136.00 67.73 32.10 0.18 63.53 1.87 0.77 0.03 0.13 0.00 32.65 1.02 106 R C C 153.25 4.85 13.07 19.75 111.30 -115.40 -81.00 129.48 99.81 0.19 0.01 99.79 0.06 0.02 0.00 0.00 0.00 0.12 0.00