# 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 113.99 5.72 20.87 27.27 116.00 -142.38 -95.14 131.67 99.49 0.51 0.00 99.46 0.09 0.02 0.00 0.00 0.00 0.42 0.01 1 I C C 37.67 19.47 12.73 31.61 118.01 -152.21 -103.50 129.21 53.01 46.86 0.13 52.19 0.48 0.21 0.02 0.08 0.00 46.41 0.62 2 V E E 63.63 7.90 20.92 29.72 118.88 -164.43 -114.10 128.16 13.57 86.18 0.25 12.30 1.07 0.35 0.07 0.18 0.00 85.38 0.66 3 L E E 35.81 19.60 14.26 33.45 117.74 -157.05 -102.36 127.80 9.58 90.25 0.17 8.70 0.75 0.23 0.05 0.12 0.00 89.66 0.48 4 T E E 65.59 8.01 20.98 29.59 122.73 -171.27 -118.34 136.52 16.59 83.15 0.27 14.53 1.59 0.44 0.06 0.20 0.00 82.39 0.79 5 Q E E 66.83 14.43 15.38 29.69 126.46 -165.34 -121.32 139.09 43.66 56.07 0.27 34.94 7.69 0.87 0.05 0.24 0.00 55.15 1.05 6 S C C 57.78 7.97 18.25 27.04 120.26 -132.02 -93.69 146.36 81.17 18.70 0.13 58.13 20.88 1.18 0.02 0.14 0.00 18.90 0.76 7 P C S 72.22 8.59 16.74 25.99 111.68 -59.32 -68.55 148.07 88.31 11.43 0.26 27.44 49.39 10.13 0.02 0.34 0.00 12.26 0.43 8 G E E 34.29 9.19 17.97 27.46 110.99 105.47 17.00 -69.20 44.91 54.84 0.25 21.10 19.17 4.85 0.02 0.31 0.00 54.00 0.54 9 T E E 73.93 8.09 19.30 28.29 129.05 -9.84 -129.22 140.64 15.81 84.15 0.04 14.27 1.09 0.10 0.00 0.03 0.00 84.17 0.33 10 L E E 25.94 19.91 14.97 34.55 126.27 -170.55 -127.08 138.76 2.36 97.64 0.00 2.19 0.09 0.00 0.00 0.00 0.00 97.61 0.10 11 S E E 64.04 6.91 23.50 31.37 122.00 -156.13 -114.16 133.24 1.91 98.09 0.00 1.72 0.09 0.00 0.00 0.00 0.00 98.12 0.06 12 L E E 16.79 21.10 13.99 34.84 132.60 174.32 -134.38 150.74 14.72 85.27 0.01 14.15 0.49 0.02 0.00 0.01 0.00 84.27 1.08 13 S C C 51.98 4.95 23.57 28.29 122.10 -123.57 -85.42 157.85 94.44 5.53 0.03 93.55 1.10 0.10 0.01 0.01 0.00 4.76 0.47 14 P C T 59.35 13.93 14.55 28.61 109.35 -79.75 -59.51 135.55 99.28 0.28 0.45 0.21 2.19 97.10 0.02 0.29 0.00 0.14 0.05 15 G C T 45.93 4.46 19.62 24.90 95.79 23.20 88.42 -6.41 99.37 0.20 0.43 0.37 2.54 96.61 0.03 0.30 0.00 0.13 0.02 16 E C C 80.95 8.76 17.90 27.68 122.21 118.73 -84.65 150.57 92.70 7.02 0.28 74.81 17.54 0.48 0.04 0.24 0.00 6.10 0.78 17 R E E 123.77 9.48 19.18 29.69 124.27 -137.77 -110.44 142.31 49.29 50.67 0.04 48.59 0.71 0.06 0.01 0.03 0.00 49.51 1.09 18 A E E 8.93 21.81 15.55 37.33 130.72 -169.78 -130.00 148.89 2.33 97.67 0.00 2.20 0.07 0.00 0.00 0.00 0.00 97.63 0.09 19 T E E 63.44 8.72 25.12 34.38 121.58 -146.21 -115.02 131.78 0.81 99.18 0.00 0.73 0.03 0.00 0.00 0.00 0.00 99.21 0.02 20 V E E 4.39 25.60 17.02 43.35 121.46 -166.93 -116.26 130.78 3.91 96.08 0.00 3.51 0.20 0.01 0.00 0.00 0.00 96.22 0.06 21 S E E 35.13 9.91 26.84 37.32 123.22 -164.33 -111.14 140.52 14.47 85.52 0.01 13.21 0.59 0.02 0.00 0.01 0.00 86.06 0.11 22 C E E 4.24 25.57 16.65 42.66 131.53 -175.79 -134.41 147.35 13.44 86.55 0.01 12.70 0.44 0.03 0.00 0.01 0.00 86.53 0.29 23 R E E 109.55 6.74 26.79 34.30 122.97 -160.10 -118.82 134.28 5.07 94.91 0.02 4.75 0.24 0.02 0.01 0.01 0.00 92.08 2.89 24 A E E 9.05 23.92 11.89 35.46 119.85 -143.67 -93.50 141.81 34.97 64.82 0.21 33.82 1.19 0.18 0.06 0.14 0.00 62.35 2.26 25 S C S 73.53 3.56 21.55 25.31 96.94 -155.41 -86.35 -20.07 88.08 11.55 0.37 23.03 60.56 3.70 0.03 0.37 0.00 11.87 0.45 26 Q C S 89.34 4.22 21.14 25.71 136.35 18.77 -141.04 161.69 90.02 9.58 0.40 9.29 75.73 4.86 0.03 0.37 0.00 9.23 0.51 27 S C C 68.30 6.91 19.97 27.76 115.20 -92.45 -71.92 141.90 90.01 9.38 0.61 81.93 5.71 1.95 0.07 0.73 0.00 8.66 0.94 28 V C C 13.14 23.20 11.75 34.77 122.56 -155.70 -113.90 133.31 66.13 33.45 0.42 61.81 2.98 0.71 0.17 0.29 0.00 18.63 15.41 29 T C C 94.88 3.35 23.84 27.51 101.37 -165.94 -101.02 10.98 85.92 13.80 0.28 61.61 21.92 2.28 0.05 0.31 0.00 11.69 2.13 30 S C C 23.16 16.40 16.16 32.59 130.47 93.71 -109.85 158.34 86.24 13.26 0.50 47.96 35.22 3.59 0.08 0.52 0.00 10.63 2.00 31 T C S 65.39 10.43 22.37 33.05 96.23 -136.82 -85.85 -17.94 90.73 9.17 0.10 10.88 76.52 2.26 0.00 0.09 0.00 9.98 0.26 32 F E E 46.03 14.43 23.72 38.41 128.12 45.53 -129.64 139.77 16.41 83.49 0.10 11.34 4.18 0.70 0.01 0.10 0.00 83.41 0.27 33 L E E 3.38 26.08 20.69 47.02 128.86 -171.54 -129.17 142.42 1.54 98.45 0.00 1.40 0.07 0.00 0.00 0.00 0.00 98.48 0.04 34 A E E 9.35 18.63 27.78 46.09 129.56 -164.97 -125.31 145.00 0.39 99.61 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.00 35 W E E 7.53 24.63 23.26 47.64 125.32 -157.31 -115.72 140.00 0.48 99.52 0.00 0.43 0.02 0.00 0.00 0.00 0.00 99.55 0.00 36 Y E E 22.80 17.64 23.74 41.32 133.75 -174.70 -133.17 150.44 0.69 99.31 0.00 0.60 0.03 0.00 0.00 0.00 0.00 99.34 0.02 37 Q E E 43.59 14.36 21.73 36.28 120.69 -141.45 -108.46 134.06 3.47 96.52 0.00 2.82 0.37 0.02 0.00 0.00 0.00 96.67 0.11 38 Q E E 52.47 14.24 15.59 30.30 120.07 -153.43 -103.95 135.18 30.33 69.65 0.02 27.49 2.01 0.09 0.01 0.02 0.00 69.17 1.21 39 R C C 114.17 6.14 15.68 23.14 118.91 -138.83 -90.96 145.82 98.08 1.89 0.03 95.95 2.13 0.22 0.01 0.02 0.00 1.34 0.31 40 P C T 103.05 4.06 11.48 17.56 109.47 -87.21 -58.40 134.10 99.63 0.09 0.28 0.35 3.11 96.20 0.01 0.26 0.00 0.05 0.02 41 G C T 69.02 0.30 13.16 10.79 95.16 18.74 83.69 -2.81 99.65 0.07 0.28 0.45 3.17 96.03 0.01 0.30 0.00 0.04 0.01 42 Q C S 87.79 5.75 10.20 18.05 129.45 97.65 -114.70 159.60 94.16 5.44 0.40 37.24 55.77 1.20 0.08 0.32 0.00 1.83 3.56 43 A C C 74.91 2.40 17.95 20.27 116.75 -97.65 -69.60 151.24 97.46 2.50 0.03 86.52 10.92 0.20 0.01 0.03 0.00 1.97 0.34 44 P C C 42.31 18.50 11.73 29.52 114.86 -99.63 -65.50 143.97 90.72 9.25 0.03 88.62 2.04 0.14 0.00 0.03 0.00 8.92 0.25 45 R E E 99.62 8.99 21.69 31.27 125.25 -161.62 -122.35 139.23 8.29 91.65 0.06 7.40 0.73 0.07 0.02 0.03 0.00 91.08 0.67 46 L E E 58.06 16.40 18.94 34.77 110.71 -115.40 -75.28 126.81 1.15 98.84 0.01 1.04 0.05 0.00 0.00 0.00 0.00 98.85 0.05 47 L E E 19.12 19.29 21.74 40.78 101.53 175.32 -96.54 -33.65 2.49 97.48 0.02 1.72 0.62 0.03 0.01 0.01 0.00 97.59 0.02 48 I E E 10.60 21.74 22.48 43.86 136.16 5.51 -147.09 142.44 0.66 99.32 0.01 0.54 0.05 0.00 0.00 0.00 0.00 99.38 0.02 49 Y E E 53.62 18.04 23.34 40.11 130.39 -173.16 -133.93 141.35 4.50 95.45 0.05 3.78 0.37 0.06 0.02 0.02 0.00 95.61 0.14 50 G E E 10.77 18.20 21.39 38.68 130.59 93.48 -125.11 162.28 37.28 61.91 0.81 24.41 10.92 2.87 0.20 0.58 0.00 60.32 0.69 51 A C C 37.12 13.45 19.93 33.22 111.17 -113.65 -90.27 139.96 64.95 26.82 8.24 28.41 22.55 16.73 2.01 5.48 0.07 22.52 2.22 52 S C T 59.37 9.79 18.14 27.83 101.41 -94.37 -78.97 -13.85 76.38 7.40 16.22 21.97 25.28 30.96 4.09 10.61 0.08 5.02 2.00 53 S C T 65.50 7.45 17.66 25.55 104.22 47.60 -87.94 4.97 72.34 6.66 21.00 21.15 23.50 29.92 6.01 13.05 0.09 4.20 2.08 54 R C C 116.32 10.14 16.18 26.51 104.56 68.57 -87.44 27.90 62.40 18.18 19.42 30.67 16.40 17.61 7.33 11.08 0.20 12.57 4.14 55 A C C 49.49 13.47 14.38 27.57 105.19 120.06 -83.98 28.71 63.33 22.03 14.64 37.21 14.39 13.25 5.93 8.42 0.11 16.26 4.42 56 T C C 83.02 6.30 18.10 25.31 110.47 130.18 -98.22 85.95 66.07 22.99 10.94 32.19 17.05 19.03 4.31 6.02 0.16 17.10 4.14 57 G C C 36.23 8.10 19.20 27.89 114.06 -22.21 97.17 0.38 79.78 16.70 3.51 40.07 25.40 15.57 0.83 2.72 0.01 11.96 3.44 58 I C C 33.49 21.27 12.66 32.78 116.44 -52.36 -93.12 129.75 90.60 8.99 0.41 75.06 15.05 0.73 0.18 0.24 0.00 5.82 2.92 59 P C C 46.56 11.22 16.20 28.50 113.74 -111.40 -66.55 152.00 89.20 4.33 6.46 77.93 5.15 5.88 1.37 5.29 0.00 3.29 1.08 60 D C T 119.40 2.51 18.10 21.45 93.60 -112.36 -66.68 -21.03 71.97 3.25 24.78 12.46 19.98 40.48 2.87 21.11 0.03 2.19 0.88 61 R C T 114.28 9.21 18.54 28.04 97.86 61.50 -91.48 -1.06 59.56 13.80 26.64 12.99 14.35 34.86 3.58 20.99 0.13 11.52 1.59 62 F E E 24.53 23.22 12.70 34.87 116.19 79.69 -103.52 123.92 29.19 55.57 15.23 20.38 7.35 5.19 5.00 9.30 0.06 49.32 3.42 63 S E E 54.64 7.95 22.42 31.27 131.32 156.04 -131.61 152.71 28.15 69.88 1.98 22.40 4.55 2.12 1.02 1.09 0.01 65.14 3.67 64 G E E 24.99 16.35 15.62 31.21 138.54 168.59 -158.44 169.76 34.06 65.20 0.74 25.97 7.33 2.33 0.23 0.55 0.00 61.98 1.60 65 S E E 70.86 4.60 20.40 26.53 130.50 -146.32 -134.93 152.69 45.94 53.48 0.58 36.42 8.01 2.18 0.15 0.50 0.00 50.79 1.94 66 G C C 31.38 10.79 15.30 26.81 136.80 140.16 -166.95 -170.80 65.01 34.38 0.61 41.72 19.63 5.00 0.10 0.66 0.00 30.79 2.11 67 S C C 68.52 3.99 20.73 25.08 122.89 -93.58 -113.11 154.25 75.24 23.13 1.63 41.61 25.40 9.42 0.27 1.63 0.00 17.00 4.66 68 E C S 95.81 11.61 18.09 29.21 98.57 -77.97 -52.19 -46.72 95.15 2.44 2.41 7.31 53.68 34.46 0.17 2.15 0.00 1.72 0.51 69 A C S 43.69 13.94 17.41 30.82 100.36 13.12 -99.44 -7.70 93.19 4.86 1.96 6.64 52.56 34.27 0.13 1.72 0.00 4.10 0.57 70 D C E 59.30 8.88 22.13 31.89 120.65 71.30 -113.12 126.05 52.25 46.69 1.06 30.91 17.62 6.01 0.15 1.11 0.00 40.96 3.23 71 F E E 9.82 24.05 15.95 40.24 128.60 -174.48 -127.79 142.78 26.68 73.27 0.04 24.43 1.52 0.16 0.01 0.03 0.00 72.62 1.23 72 T E E 37.83 10.55 26.90 38.35 123.71 -163.21 -120.93 134.77 8.18 91.81 0.00 7.30 0.45 0.02 0.00 0.00 0.00 91.99 0.24 73 L E E 3.72 25.77 18.79 45.35 119.80 -163.00 -112.98 128.50 0.92 99.08 0.00 0.91 0.02 0.00 0.00 0.00 0.00 99.06 0.02 74 T E E 42.47 9.88 26.94 37.55 119.99 -165.15 -116.14 128.42 0.30 99.70 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.65 0.02 75 I E E 7.42 24.10 16.11 40.83 117.64 -167.76 -114.05 124.16 3.49 96.51 0.00 3.70 0.04 0.00 0.00 0.00 0.00 95.72 0.54 76 N C S 70.70 6.84 23.05 30.19 124.47 -166.69 -109.70 148.58 89.58 10.36 0.05 41.77 43.43 2.91 0.00 0.08 0.00 11.55 0.25 77 R C S 143.04 4.13 23.44 27.70 94.94 8.43 57.10 49.84 98.63 1.36 0.01 8.87 86.83 2.88 0.00 0.02 0.00 1.32 0.08 78 L C C 15.17 24.08 10.30 33.93 114.62 -151.04 -75.52 135.94 98.75 1.25 0.01 97.49 1.53 0.02 0.00 0.00 0.00 0.45 0.49 79 E C C 85.84 4.68 24.36 28.73 129.23 -168.96 -120.86 156.50 99.89 0.10 0.01 99.54 0.38 0.00 0.00 0.00 0.00 0.02 0.06 80 P H G 66.54 13.65 15.03 28.74 91.03 -106.41 -58.83 -31.28 3.42 0.01 96.56 0.15 0.19 2.27 0.25 97.13 0.00 0.01 0.00 81 E H G 122.80 4.17 21.47 26.45 90.41 62.94 -71.38 -15.82 2.89 0.02 97.09 0.08 0.15 2.03 0.16 97.56 0.00 0.02 0.00 82 D H G 17.35 19.80 16.99 37.05 94.80 60.15 -89.44 -2.10 3.87 0.05 96.08 0.45 0.38 1.87 0.24 97.01 0.00 0.04 0.00 83 F C C 39.03 18.53 20.32 38.73 117.53 102.52 -83.77 135.95 85.67 13.97 0.36 82.40 3.25 0.14 0.03 0.32 0.00 13.50 0.36 84 A E E 11.12 18.81 23.42 41.50 142.01 163.61 -151.28 169.31 5.43 94.56 0.01 5.03 0.33 0.02 0.00 0.00 0.00 94.27 0.34 85 V E E 28.34 16.45 25.70 41.88 119.80 -111.85 -108.77 131.96 0.69 99.31 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.32 0.02 86 Y E E 7.20 24.95 21.40 46.29 123.71 -166.15 -114.38 136.86 0.41 99.59 0.00 0.36 0.02 0.00 0.00 0.00 0.00 99.61 0.01 87 Y E E 29.87 17.22 27.14 43.93 129.39 -170.26 -123.18 144.92 1.37 98.62 0.01 1.20 0.07 0.01 0.00 0.00 0.00 98.68 0.03 88 C E E 3.09 25.25 21.40 46.82 125.12 -162.20 -118.85 139.54 6.02 93.91 0.07 5.04 0.63 0.09 0.02 0.04 0.00 94.04 0.15 89 Q E E 36.38 14.51 25.99 40.45 127.95 -170.50 -124.00 142.80 6.17 93.69 0.14 5.42 0.51 0.11 0.04 0.06 0.00 93.57 0.29 90 Q E E 31.99 18.73 19.14 37.34 121.18 -152.35 -108.49 134.08 14.04 85.69 0.27 11.57 2.07 0.47 0.07 0.16 0.00 85.00 0.66 91 Y E E 82.29 10.95 18.40 30.14 116.85 -159.28 -106.31 126.53 37.23 62.35 0.42 29.58 6.57 1.47 0.09 0.35 0.00 60.65 1.29 92 A C C 46.31 10.15 12.69 23.76 118.00 161.77 -105.64 156.33 74.74 24.49 0.77 38.93 25.49 10.22 0.09 0.80 0.00 23.36 1.10 93 T C S 110.31 1.82 15.05 16.95 99.14 -73.45 -82.85 -12.32 94.64 4.53 0.83 22.34 52.41 19.88 0.07 0.91 0.00 3.75 0.63 94 S C S 62.13 4.16 13.72 19.38 124.10 28.58 -116.89 145.03 94.54 4.42 1.04 26.45 54.85 13.26 0.11 1.09 0.00 3.52 0.73 95 P C C 77.80 7.09 15.56 23.62 110.71 -90.93 -69.57 146.63 85.67 13.23 1.11 36.82 33.98 14.65 0.11 1.14 0.00 12.58 0.73 96 W E E 83.51 15.73 14.23 29.59 118.40 -120.45 -98.83 133.43 47.57 51.65 0.78 36.65 7.30 3.12 0.12 0.69 0.00 51.11 1.00 97 T E E 53.82 10.83 20.81 32.06 125.05 -168.21 -122.19 137.13 19.68 80.02 0.30 17.14 1.98 0.48 0.10 0.19 0.00 77.62 2.49 98 F E E 55.05 18.62 17.36 35.09 118.10 -139.96 -98.11 134.69 20.24 79.45 0.32 16.43 2.95 0.82 0.12 0.21 0.00 75.28 4.19 99 G C C 18.07 14.97 18.60 33.21 121.90 -142.16 -83.29 176.49 59.92 39.79 0.29 42.75 13.86 2.75 0.04 0.27 0.00 39.41 0.92 100 Q C C 111.91 6.01 23.33 29.64 110.08 -81.61 -81.45 110.06 70.41 29.30 0.28 55.81 11.28 1.70 0.04 0.26 0.00 30.25 0.67 101 G C C 15.98 19.48 16.04 34.12 127.55 -128.53 -83.59 168.83 61.69 38.16 0.14 53.15 5.56 0.61 0.02 0.12 0.00 40.05 0.48 102 T E E 32.59 14.92 20.49 35.67 128.07 -119.55 -124.68 143.02 9.11 90.86 0.03 8.23 0.51 0.04 0.01 0.01 0.00 90.92 0.28 103 K E E 101.84 9.96 22.84 33.05 118.82 -138.25 -97.97 133.24 1.38 98.61 0.01 1.20 0.09 0.01 0.00 0.00 0.00 98.66 0.05 104 V E E 10.83 22.79 14.89 37.73 121.69 -166.20 -116.55 133.12 1.53 98.46 0.01 1.44 0.04 0.00 0.00 0.00 0.00 98.46 0.04 105 E E E 95.16 5.74 23.85 29.98 117.27 -153.38 -104.05 129.03 3.67 96.31 0.02 3.53 0.14 0.02 0.01 0.01 0.00 96.13 0.17 106 I E E 24.35 21.31 11.07 31.67 115.34 -152.25 -98.19 126.51 24.49 75.44 0.06 24.64 0.28 0.05 0.03 0.02 0.00 74.13 0.86 107 K C C 128.43 4.02 19.97 24.77 113.93 -152.44 -94.99 129.83 99.35 0.65 0.00 99.43 0.05 0.01 0.00 0.00 0.00 0.50 0.01