# 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 S C C 61.85 7.23 17.55 25.59 124.45 -139.13 -123.70 144.08 99.68 0.32 0.00 99.67 0.07 0.02 0.00 0.00 0.00 0.22 0.01 1 Y C C 83.13 15.10 12.25 26.99 123.52 -166.88 -118.78 139.65 50.77 49.00 0.22 48.42 1.13 0.39 0.06 0.13 0.00 48.31 1.56 2 E E E 117.07 4.51 18.52 24.26 121.16 -154.76 -113.91 134.08 22.63 77.12 0.24 20.26 1.99 0.37 0.09 0.17 0.00 75.55 1.57 3 L E E 51.69 17.70 11.88 28.84 118.48 -148.94 -99.08 131.59 21.99 77.80 0.21 20.30 1.35 0.24 0.08 0.13 0.00 75.66 2.24 4 T E E 62.89 8.21 18.96 28.09 123.09 -167.74 -116.10 140.43 39.30 60.53 0.17 33.55 4.67 0.44 0.05 0.15 0.00 57.98 3.17 5 Q C C 85.71 12.43 15.68 28.34 121.93 -146.21 -109.50 135.98 74.22 25.75 0.04 52.82 21.28 0.35 0.01 0.03 0.00 24.50 1.00 6 P C C 52.81 11.46 15.37 27.59 116.33 -92.57 -67.97 153.29 95.80 4.17 0.03 83.15 12.14 0.41 0.00 0.03 0.00 4.04 0.22 7 P C C 79.51 8.26 16.92 25.93 98.14 -110.98 -67.75 -21.31 95.21 4.73 0.06 54.61 39.31 1.07 0.00 0.07 0.00 4.72 0.21 8 S E E 58.91 8.80 18.24 27.89 134.03 6.94 -138.51 149.91 27.45 72.48 0.07 22.45 4.29 0.34 0.01 0.08 0.00 72.32 0.52 9 V E E 31.80 17.46 15.00 32.52 130.12 -171.44 -135.09 142.44 2.38 97.62 0.00 2.20 0.13 0.00 0.00 0.00 0.00 97.54 0.11 10 S E E 65.42 6.75 22.60 30.52 121.12 -148.01 -109.91 136.08 0.98 99.02 0.00 0.93 0.05 0.00 0.00 0.00 0.00 98.98 0.04 11 V E E 16.04 20.73 13.52 34.08 131.70 -176.89 -135.44 149.38 4.47 95.53 0.00 4.46 0.12 0.00 0.00 0.00 0.00 94.90 0.51 12 S C C 52.87 4.88 23.16 27.73 120.91 -120.70 -82.38 155.46 91.17 8.81 0.02 90.72 0.83 0.06 0.00 0.01 0.00 7.94 0.43 13 P C T 62.87 13.35 14.19 27.71 109.53 -82.60 -59.66 136.46 99.51 0.29 0.20 0.20 2.29 97.19 0.01 0.12 0.00 0.14 0.06 14 G C T 50.62 3.26 19.25 23.14 95.66 22.23 87.29 -5.63 99.69 0.16 0.15 0.31 2.48 97.00 0.01 0.10 0.00 0.09 0.01 15 Q C C 78.80 8.02 17.21 26.45 124.76 113.62 -92.63 155.30 92.86 7.07 0.08 73.44 19.33 0.29 0.01 0.07 0.00 6.16 0.69 16 T C C 74.68 9.20 18.32 28.70 126.50 -138.00 -114.13 144.33 62.13 37.87 0.01 62.24 0.53 0.02 0.00 0.00 0.00 36.69 0.50 17 A E E 11.18 21.01 15.36 36.29 130.49 -168.84 -132.36 147.52 1.07 98.93 0.00 1.05 0.02 0.00 0.00 0.00 0.00 98.86 0.08 18 S E E 57.68 7.92 24.54 33.17 122.47 -150.31 -113.72 136.50 0.38 99.62 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 19 I E E 6.11 25.34 16.36 42.33 121.88 -168.64 -118.92 130.27 2.45 97.55 0.00 2.23 0.09 0.00 0.00 0.00 0.00 97.65 0.03 20 T E E 52.54 8.47 27.20 36.50 121.40 -160.38 -108.22 137.03 10.99 89.00 0.01 10.08 0.42 0.02 0.00 0.00 0.00 89.31 0.15 21 C E E 4.29 26.07 15.75 42.44 125.43 -170.50 -121.68 140.38 20.77 79.20 0.03 19.82 0.63 0.06 0.01 0.02 0.00 78.09 1.38 22 S E E 41.62 8.34 25.21 34.07 136.48 170.72 -139.26 159.75 35.20 64.66 0.13 30.59 3.74 0.31 0.06 0.10 0.00 61.59 3.61 23 G C C 24.89 11.49 19.37 31.31 131.63 64.55 124.76 -172.00 70.83 22.92 6.25 37.49 28.53 6.16 1.05 5.06 0.02 18.73 2.96 24 D C S 92.04 5.19 20.63 26.41 116.01 -57.00 -96.24 141.32 79.45 9.82 10.73 19.40 39.13 22.17 1.07 9.22 0.02 7.21 1.77 25 K C C 128.13 5.70 21.00 27.18 104.59 -31.91 -77.42 78.29 82.65 7.01 10.35 46.98 16.59 19.12 1.17 9.66 0.00 4.90 1.58 26 L C C 19.78 22.83 12.27 34.01 101.41 164.96 -85.45 -7.00 83.31 7.79 8.90 63.88 8.29 9.97 1.57 8.30 0.00 4.80 3.18 27 G C C 35.46 7.09 20.74 28.34 110.25 -147.16 74.37 -135.37 88.90 5.90 5.20 35.16 23.99 30.14 0.70 4.65 0.00 3.46 1.90 28 E C S 111.15 7.78 19.04 27.17 103.30 -10.64 -89.82 56.81 91.06 4.48 4.47 16.90 42.28 32.33 0.41 3.98 0.00 3.20 0.89 29 T C S 57.87 12.48 19.26 31.40 105.50 84.74 -97.07 -5.19 83.27 15.03 1.71 29.15 47.01 7.11 0.20 1.48 0.00 13.80 1.25 30 Y E E 65.82 13.44 23.43 36.73 127.54 43.36 -120.91 143.70 31.70 68.00 0.30 26.53 4.46 0.79 0.06 0.25 0.00 66.99 0.92 31 A E E 2.60 25.64 19.59 45.69 127.20 -165.32 -126.10 143.99 6.42 93.56 0.02 5.82 0.43 0.04 0.00 0.01 0.00 93.48 0.21 32 S E E 11.79 17.76 27.68 45.23 131.67 -171.21 -128.86 149.75 1.40 98.60 0.00 1.30 0.05 0.00 0.00 0.00 0.00 98.61 0.03 33 W E E 7.25 24.90 23.03 47.82 126.56 -153.63 -119.95 141.96 0.72 99.28 0.00 0.66 0.03 0.00 0.00 0.00 0.00 99.30 0.01 34 Y E E 23.73 17.76 24.68 42.15 133.63 -173.67 -133.49 150.68 0.45 99.55 0.00 0.40 0.02 0.00 0.00 0.00 0.00 99.57 0.01 35 Q E E 36.80 15.85 21.91 37.72 122.94 -144.29 -114.73 136.33 1.61 98.38 0.00 1.37 0.09 0.00 0.00 0.00 0.00 98.49 0.05 36 Q E E 48.35 14.44 16.24 31.21 119.33 -147.29 -103.65 135.54 22.69 77.30 0.01 20.93 1.02 0.04 0.00 0.01 0.00 76.96 1.03 37 K C C 93.53 6.83 15.82 23.90 119.84 -136.41 -87.65 149.57 97.83 2.14 0.03 96.48 1.48 0.16 0.00 0.02 0.00 1.53 0.33 38 P C T 102.41 4.19 11.68 17.87 109.50 -85.59 -58.71 134.53 99.71 0.07 0.21 0.21 2.55 97.00 0.00 0.18 0.00 0.04 0.02 39 G C T 69.34 0.26 13.11 10.46 95.20 18.15 83.40 -2.88 99.74 0.06 0.21 0.29 2.48 96.98 0.00 0.20 0.00 0.03 0.01 40 Q C S 85.78 6.09 9.61 17.74 129.03 98.40 -112.14 159.97 94.84 4.90 0.26 44.64 49.07 1.21 0.05 0.23 0.00 1.72 3.07 41 S C C 80.41 1.82 17.73 19.15 117.52 -98.18 -72.70 151.49 97.64 2.35 0.02 87.90 9.77 0.14 0.00 0.02 0.00 1.90 0.27 42 P C C 49.81 17.11 12.14 28.53 115.21 -97.99 -66.19 144.20 91.30 8.68 0.01 88.57 2.44 0.07 0.00 0.01 0.00 8.70 0.21 43 I E E 58.15 10.85 20.12 31.93 121.06 -154.70 -116.38 132.56 2.61 97.39 0.00 2.43 0.12 0.00 0.00 0.00 0.00 97.11 0.33 44 L E E 56.89 15.46 19.62 34.83 110.72 -119.84 -76.11 125.57 0.51 99.49 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.47 0.02 45 V E E 13.76 20.06 21.16 41.17 102.25 175.52 -98.23 -33.57 2.31 97.69 0.01 1.83 0.31 0.01 0.00 0.00 0.00 97.84 0.02 46 I E E 11.89 20.89 21.25 42.23 133.32 7.47 -144.46 141.07 0.89 99.10 0.01 0.74 0.05 0.01 0.00 0.00 0.00 99.17 0.03 47 Y E E 46.78 16.33 21.11 37.21 127.99 -171.43 -131.28 139.35 6.02 93.91 0.07 5.47 0.29 0.04 0.03 0.02 0.00 93.75 0.40 48 Q C E 51.06 13.95 18.41 32.59 113.93 -168.08 -112.74 107.95 49.81 48.61 1.57 29.79 16.08 6.36 0.39 1.16 0.01 44.67 1.55 49 D C S 64.33 9.07 17.73 27.16 116.35 48.79 -104.85 158.76 84.18 13.34 2.48 18.69 35.26 30.93 0.28 2.22 0.00 11.21 1.41 50 N C S 113.31 5.79 15.78 22.77 97.57 -59.39 -77.15 0.98 95.09 2.51 2.41 13.63 44.20 37.32 0.21 2.36 0.00 1.68 0.61 51 K C S 128.62 3.09 17.11 21.27 121.16 86.92 -102.87 140.19 86.40 11.56 2.04 22.98 48.57 15.29 0.33 1.81 0.01 7.32 3.70 52 R C C 114.80 11.74 13.08 25.18 114.84 -117.69 -83.19 132.06 85.75 13.80 0.44 56.62 27.77 1.92 0.13 0.39 0.00 9.75 3.43 53 P C C 51.60 13.69 11.85 25.80 109.11 -113.64 -69.01 144.91 86.61 10.54 2.86 66.86 8.44 10.47 0.45 2.96 0.00 8.30 2.53 54 S C C 84.48 3.10 15.97 20.09 111.36 -125.53 -89.38 132.33 89.69 7.33 2.99 37.06 24.57 28.30 0.33 3.19 0.00 4.73 1.81 55 G C C 50.19 3.51 17.67 21.95 107.46 16.23 88.70 -0.71 88.87 8.89 2.24 41.07 27.70 20.26 0.24 2.61 0.00 5.68 2.45 56 I C C 42.03 20.09 10.24 28.82 116.57 121.07 -89.63 133.28 91.61 8.16 0.23 72.20 19.17 0.55 0.08 0.17 0.00 4.91 2.93 57 P C C 48.06 9.42 15.34 26.34 114.64 -108.39 -66.24 151.94 94.62 3.89 1.49 90.73 2.56 1.51 0.23 1.25 0.00 2.52 1.21 58 E C T 154.84 1.86 17.71 20.02 92.81 -110.93 -62.60 -26.18 81.98 1.99 16.03 5.74 22.29 52.44 0.61 17.07 0.01 1.35 0.50 59 R C T 104.55 10.35 16.97 27.77 94.03 58.68 -84.20 -7.23 77.08 5.27 17.66 5.58 20.39 50.18 0.62 18.25 0.01 4.41 0.56 60 F E E 21.29 23.34 12.73 35.18 119.54 78.79 -107.72 130.36 23.33 66.69 9.98 16.09 6.14 3.47 1.37 7.65 0.01 63.70 1.57 61 S E E 51.38 7.33 23.84 32.01 133.20 164.61 -133.58 154.97 11.42 88.38 0.20 9.84 1.50 0.23 0.10 0.11 0.00 87.25 0.98 62 G E E 22.55 19.97 14.64 33.00 141.03 176.22 -152.93 162.33 7.44 92.52 0.05 6.56 0.70 0.09 0.02 0.03 0.00 92.32 0.30 63 S E E 56.64 5.53 23.32 30.11 135.52 -168.08 -146.04 155.47 7.73 92.24 0.04 6.82 0.68 0.08 0.01 0.02 0.00 92.08 0.31 64 N E E 73.78 16.48 13.84 29.41 126.30 -164.55 -133.73 138.80 19.98 79.92 0.10 16.04 3.61 0.49 0.02 0.09 0.00 78.61 1.14 65 S C C 59.12 4.29 20.75 25.25 125.76 170.23 -128.08 162.55 59.94 39.85 0.21 51.12 6.72 1.08 0.05 0.21 0.00 39.02 1.81 66 E C S 123.23 5.81 18.94 25.43 98.57 -70.97 -24.88 -58.03 99.20 0.51 0.29 1.36 53.21 44.78 0.01 0.23 0.00 0.35 0.06 67 N C S 62.20 14.60 15.93 30.14 99.81 9.77 -109.03 6.61 99.19 0.60 0.22 1.20 53.95 44.18 0.01 0.18 0.00 0.44 0.05 68 T E E 39.51 10.84 22.21 34.29 130.46 71.18 -127.76 143.66 24.16 75.82 0.02 19.42 4.46 0.20 0.00 0.02 0.00 74.42 1.47 69 A E E 2.75 25.05 17.23 43.07 127.57 -170.66 -126.35 140.22 4.59 95.41 0.00 4.43 0.10 0.00 0.00 0.00 0.00 95.30 0.17 70 T E E 31.45 10.47 27.77 39.58 121.27 -161.15 -116.84 131.50 1.97 98.03 0.00 1.68 0.07 0.00 0.00 0.00 0.00 98.23 0.01 71 L E E 2.36 26.65 18.93 46.68 120.40 -166.94 -115.40 129.55 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 72 T E E 39.73 9.86 27.78 38.66 119.51 -164.14 -115.52 127.99 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 73 I E E 5.69 25.00 16.87 42.58 118.01 -166.03 -114.50 124.04 1.60 98.39 0.00 1.66 0.02 0.00 0.00 0.00 0.00 98.13 0.19 74 S C C 49.72 7.32 23.44 31.06 126.80 -170.30 -112.92 151.19 81.53 18.40 0.07 43.08 29.82 6.24 0.00 0.09 0.00 20.47 0.31 75 G C S 44.45 3.61 23.60 27.65 95.56 17.17 69.88 31.22 98.73 1.25 0.03 5.50 85.65 7.55 0.00 0.03 0.00 1.20 0.07 76 T C C 23.28 23.05 10.30 32.04 116.21 -157.88 -75.71 141.79 99.12 0.86 0.01 97.88 1.41 0.04 0.00 0.00 0.00 0.38 0.30 77 Q C C 84.35 5.10 22.11 27.39 129.27 -168.35 -118.72 155.60 98.84 1.07 0.09 98.31 0.59 0.02 0.02 0.04 0.00 0.19 0.82 78 T H G 83.64 8.63 16.09 25.73 91.55 -106.03 -59.03 -30.39 5.06 0.03 94.91 0.27 0.33 3.31 0.31 95.76 0.00 0.02 0.00 79 M H G 113.11 4.99 20.26 26.05 90.33 62.13 -72.42 -14.57 4.47 0.05 95.49 0.21 0.30 2.91 0.25 96.29 0.00 0.04 0.00 80 D H G 14.57 21.57 14.99 36.60 94.06 65.19 -84.12 -0.68 6.61 0.09 93.30 1.77 0.83 1.90 0.50 94.92 0.00 0.07 0.00 81 E C C 73.64 13.23 20.69 34.09 112.74 114.80 -71.93 132.21 98.41 1.34 0.24 94.08 4.33 0.21 0.03 0.21 0.00 0.97 0.18 82 A E E 20.88 14.53 22.22 36.71 145.92 112.57 -168.25 173.67 18.81 81.13 0.06 17.08 1.72 0.11 0.02 0.04 0.00 78.47 2.56 83 D E E 51.39 11.52 25.57 37.41 116.34 -73.43 -91.20 133.13 2.78 97.20 0.01 2.66 0.17 0.01 0.00 0.01 0.00 97.02 0.13 84 Y E E 5.51 26.14 19.07 45.67 125.75 -166.83 -118.59 140.62 1.52 98.46 0.02 1.34 0.14 0.01 0.00 0.01 0.00 98.44 0.06 85 Y E E 29.82 17.30 28.57 45.60 130.98 -173.40 -130.30 148.40 2.65 97.31 0.04 2.32 0.21 0.03 0.01 0.03 0.00 97.27 0.13 86 C E E 1.39 27.30 23.50 51.18 125.00 -158.72 -119.19 137.50 6.63 93.25 0.11 5.79 0.58 0.09 0.02 0.09 0.00 93.25 0.18 87 Q E E 20.67 18.67 28.72 46.70 130.43 -172.57 -128.79 146.26 4.76 95.17 0.07 4.26 0.35 0.06 0.02 0.03 0.00 95.10 0.18 88 A E E 4.31 23.85 23.04 46.67 124.26 -159.29 -116.53 136.82 4.64 95.31 0.05 4.10 0.35 0.06 0.01 0.02 0.00 95.18 0.27 89 W E E 44.07 15.87 21.85 37.73 131.85 -174.82 -130.85 150.45 11.81 88.09 0.10 9.55 1.98 0.32 0.02 0.08 0.00 87.19 0.86 90 D C E 48.10 12.07 18.44 30.92 121.80 -170.37 -118.93 155.73 53.95 45.78 0.27 42.31 8.58 1.76 0.04 0.26 0.00 46.25 0.80 91 K C S 132.82 5.75 17.39 24.10 96.41 -80.92 -59.99 -24.73 96.94 2.18 0.88 13.05 44.58 39.49 0.13 0.70 0.00 1.77 0.29 92 T C S 92.20 3.64 17.37 21.65 104.22 20.87 -106.88 -18.04 95.97 3.04 0.99 13.37 45.53 37.29 0.14 0.79 0.00 2.49 0.38 93 I E E 68.77 10.62 17.09 28.48 126.98 30.88 -128.48 139.54 41.80 57.85 0.34 30.43 10.21 2.04 0.08 0.30 0.00 55.22 1.71 94 A E E 32.95 16.65 17.73 33.98 122.36 -158.38 -110.98 135.52 19.55 80.25 0.19 16.73 1.98 0.44 0.06 0.12 0.00 79.59 1.09 95 G E E 16.49 16.06 21.19 36.87 127.68 -171.25 -122.07 148.18 14.81 84.98 0.20 12.41 1.77 0.47 0.07 0.12 0.00 83.85 1.31 96 F E E 64.32 17.75 20.32 36.78 121.53 -148.02 -111.63 134.41 26.90 72.70 0.40 21.23 4.90 1.49 0.13 0.30 0.00 69.86 2.09 97 G C C 21.53 16.78 19.38 34.83 118.37 -149.06 -83.09 -113.68 66.21 33.31 0.48 39.01 21.32 6.05 0.07 0.47 0.00 31.94 1.14 98 G C C 39.01 9.18 22.42 31.25 102.36 -66.50 -70.10 -1.48 76.88 22.77 0.35 45.58 26.34 4.69 0.04 0.39 0.00 21.99 0.98 99 G C C 21.06 15.18 18.16 32.67 122.33 -130.87 95.25 177.14 71.04 28.80 0.16 54.77 13.45 1.36 0.02 0.17 0.00 29.55 0.68 100 T E E 33.13 17.49 18.15 35.14 124.96 -96.87 -114.68 140.58 26.56 73.39 0.05 24.17 1.42 0.12 0.01 0.03 0.00 73.75 0.50 101 K E E 113.48 7.43 22.29 30.58 118.56 -143.63 -102.07 132.34 2.96 97.01 0.03 2.69 0.21 0.03 0.01 0.01 0.00 96.79 0.26 102 L E E 24.47 21.33 13.76 34.68 122.48 -166.53 -113.20 134.53 4.05 95.93 0.02 3.96 0.14 0.02 0.01 0.01 0.00 95.64 0.23 103 T E E 70.15 5.76 21.81 28.18 120.85 -158.67 -111.35 133.96 15.43 84.54 0.03 15.36 0.28 0.04 0.01 0.01 0.00 83.35 0.92 104 V C C 32.14 19.67 14.22 33.22 114.52 -152.27 -95.36 124.24 98.38 1.62 0.00 98.56 0.07 0.01 0.00 0.00 0.00 1.34 0.02