# 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 D C C 98.40 4.31 19.03 23.92 106.51 -159.85 -87.42 68.02 99.85 0.15 0.00 99.75 0.11 0.03 0.00 0.00 0.00 0.10 0.00 1 I C C 52.90 16.77 11.70 27.91 116.40 -154.23 -98.68 126.92 63.15 36.76 0.10 62.10 0.62 0.22 0.02 0.05 0.00 36.18 0.81 2 V E E 72.40 7.36 18.70 27.11 119.90 -166.46 -111.68 130.75 27.08 72.82 0.09 23.23 2.85 0.34 0.02 0.07 0.00 72.96 0.52 3 M E E 45.76 18.49 14.04 32.07 122.21 -160.71 -112.39 133.57 7.57 92.39 0.04 6.84 0.63 0.11 0.01 0.03 0.00 91.98 0.41 4 T E E 62.57 8.12 21.27 30.16 126.90 -171.65 -124.13 141.43 7.13 92.82 0.05 6.47 0.49 0.09 0.02 0.03 0.00 91.99 0.92 5 Q E E 59.19 17.62 14.21 31.04 125.13 -159.47 -117.74 139.10 28.72 71.17 0.10 23.92 4.34 0.35 0.02 0.09 0.00 70.16 1.13 6 T C C 70.03 7.13 19.00 26.97 121.28 -140.20 -101.08 144.93 73.02 26.89 0.09 53.39 18.20 0.58 0.01 0.09 0.00 27.07 0.67 7 P C C 71.30 8.37 17.38 26.50 113.88 -33.27 -69.84 148.13 86.28 13.57 0.15 66.77 16.90 1.27 0.02 0.17 0.00 14.43 0.46 8 L C C 69.27 13.74 15.15 28.92 103.98 -149.88 -88.42 5.01 68.68 31.09 0.24 51.22 15.42 1.39 0.03 0.26 0.00 30.60 1.09 9 S E E 59.21 8.90 19.02 28.76 130.29 29.16 -130.10 147.47 28.04 71.87 0.10 23.84 3.89 0.35 0.02 0.08 0.00 70.44 1.37 10 S E E 28.89 15.89 15.91 31.92 129.05 -174.38 -136.65 140.31 9.20 90.78 0.02 7.79 1.27 0.05 0.00 0.01 0.00 90.41 0.45 11 P E E 83.73 5.76 22.68 28.99 114.74 -116.67 -75.83 140.59 9.21 90.77 0.02 8.25 0.69 0.04 0.00 0.01 0.00 90.63 0.36 12 V E E 14.51 22.08 12.65 34.33 132.38 -176.70 -135.94 150.73 21.21 78.74 0.05 19.60 1.16 0.07 0.02 0.04 0.00 76.15 2.97 13 T E C 66.87 4.96 23.71 28.61 120.38 -127.59 -96.30 147.13 49.92 49.97 0.11 49.03 1.84 0.16 0.05 0.06 0.00 40.26 8.60 14 L C T 68.00 15.35 13.88 28.91 109.15 -91.09 -61.00 134.11 99.22 0.56 0.23 0.47 3.65 95.30 0.01 0.16 0.00 0.33 0.07 15 G C T 46.95 4.46 19.25 24.62 96.23 21.81 88.24 -6.14 99.72 0.17 0.11 0.57 4.22 94.98 0.01 0.09 0.00 0.11 0.02 16 Q C S 86.08 6.66 18.72 26.51 123.10 112.23 -96.74 147.78 96.85 3.11 0.04 35.80 61.63 0.19 0.01 0.02 0.00 1.80 0.55 17 P C C 78.65 7.71 19.43 27.89 115.64 -104.24 -67.22 146.43 94.25 5.74 0.01 93.97 0.84 0.04 0.00 0.01 0.00 4.87 0.28 18 A E E 8.72 23.27 14.11 37.21 128.55 -162.27 -124.36 147.55 6.04 93.96 0.01 5.75 0.22 0.01 0.00 0.00 0.00 93.47 0.54 19 S E E 54.85 8.18 25.49 34.31 123.88 -151.87 -119.95 136.41 0.77 99.23 0.00 0.75 0.02 0.00 0.00 0.00 0.00 99.18 0.05 20 I E E 6.41 25.76 16.47 42.80 124.09 -169.31 -123.24 133.46 1.88 98.12 0.00 1.78 0.08 0.01 0.00 0.00 0.00 98.08 0.05 21 S E E 44.24 9.10 26.94 36.67 124.38 -162.23 -112.58 141.59 9.31 90.68 0.01 8.76 0.32 0.02 0.00 0.01 0.00 90.76 0.12 22 C E E 5.10 25.87 17.07 43.28 132.22 -175.13 -134.67 148.89 13.93 86.03 0.03 13.03 0.60 0.05 0.01 0.02 0.00 85.85 0.44 23 G E E 22.09 10.70 26.67 37.88 133.83 -172.55 -131.45 155.93 9.07 90.82 0.11 8.13 0.74 0.11 0.07 0.05 0.00 86.73 4.16 24 S E E 16.33 21.98 16.14 37.35 129.58 -165.36 -127.55 151.36 38.91 59.38 1.71 34.47 3.35 0.86 0.84 0.93 0.00 56.69 2.85 25 S C C 56.32 7.90 20.92 29.33 106.67 -133.23 -86.93 20.06 69.36 18.17 12.47 45.77 17.53 6.90 5.08 6.88 0.02 15.76 2.06 26 Q C C 94.06 9.11 17.27 26.77 109.30 -82.01 -87.54 89.77 60.41 6.90 32.70 21.52 21.01 19.66 14.39 16.82 0.21 4.46 1.94 27 S C C 63.48 7.45 18.37 26.43 109.05 -103.64 -82.77 109.15 61.39 7.21 31.40 32.33 12.64 17.32 13.02 17.93 0.06 4.90 1.82 28 L C C 58.12 15.60 14.97 29.88 103.61 -138.97 -87.21 1.82 57.31 12.32 30.37 29.71 15.68 13.47 13.66 15.95 0.21 8.33 2.99 29 V C C 60.57 12.04 16.41 28.80 114.00 73.80 -100.35 116.66 55.33 24.36 20.31 30.99 13.66 11.59 11.57 8.55 0.48 17.10 6.07 30 H C C 100.85 9.14 15.16 25.13 113.67 -152.50 -99.61 120.24 68.65 21.37 9.98 47.61 11.96 8.66 5.47 4.75 0.04 16.32 5.19 31 S C C 57.93 9.09 13.20 23.23 113.07 -170.80 -102.96 121.99 80.58 13.25 6.17 47.13 15.82 18.23 2.16 3.76 0.01 9.87 3.02 32 D C T 102.69 3.93 15.95 20.88 100.50 -128.75 -87.64 15.25 89.10 5.78 5.12 26.76 27.28 35.80 1.10 3.74 0.01 3.88 1.44 33 G C S 41.21 7.68 15.32 23.79 99.84 -91.73 82.82 2.43 92.93 3.92 3.15 17.17 41.84 34.14 0.35 2.80 0.00 2.89 0.80 34 N C C 75.95 8.96 18.21 27.76 109.22 98.05 -96.76 89.19 82.46 15.97 1.57 37.34 33.04 12.39 0.19 1.57 0.00 14.04 1.44 35 T E E 25.57 18.98 16.66 35.15 117.96 150.15 -105.40 131.39 49.36 50.28 0.36 39.57 7.81 1.33 0.06 0.32 0.00 49.92 0.99 36 Y E E 52.30 13.53 24.94 38.77 130.67 163.52 -127.16 148.13 10.51 89.45 0.04 9.25 1.06 0.09 0.01 0.02 0.00 89.08 0.49 37 L E E 4.47 25.79 20.37 46.64 121.77 -155.18 -112.38 133.88 2.76 97.23 0.01 2.50 0.14 0.01 0.00 0.00 0.00 97.29 0.05 38 S E E 16.74 15.92 27.03 42.89 128.59 -171.16 -123.85 144.88 0.86 99.14 0.00 0.79 0.03 0.00 0.00 0.00 0.00 99.16 0.01 39 W E E 11.59 23.66 21.64 45.18 123.95 -155.91 -113.34 136.59 0.56 99.43 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.01 40 L E E 17.83 16.56 23.63 40.43 130.85 -172.44 -127.52 146.99 0.53 99.47 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.49 0.02 41 Q E E 37.56 14.98 21.33 36.58 122.00 -150.23 -112.65 134.67 2.61 97.39 0.00 2.20 0.18 0.01 0.00 0.00 0.00 97.50 0.11 42 Q E E 48.84 14.12 16.14 30.87 120.28 -149.80 -108.15 133.17 31.13 68.85 0.02 28.84 1.48 0.05 0.00 0.01 0.00 68.43 1.18 43 R C C 104.10 7.05 15.44 23.84 120.04 -142.90 -93.26 144.90 97.27 2.71 0.02 95.26 2.19 0.14 0.00 0.01 0.00 1.98 0.41 44 P C T 100.43 4.38 11.69 18.06 109.54 -85.84 -58.89 134.54 99.83 0.07 0.10 0.20 3.12 96.54 0.00 0.09 0.00 0.04 0.01 45 G C T 69.31 0.27 13.19 10.59 94.44 17.86 83.82 -3.08 99.86 0.04 0.09 0.29 3.08 96.50 0.00 0.09 0.00 0.03 0.00 46 Q C S 84.44 6.19 9.31 17.60 127.10 98.38 -113.12 154.11 95.89 4.04 0.07 33.46 62.75 0.25 0.02 0.04 0.00 1.33 2.14 47 P C C 101.87 1.54 17.11 18.05 116.39 -98.06 -65.05 150.30 98.51 1.47 0.01 91.49 6.98 0.14 0.00 0.01 0.00 1.18 0.18 48 P C C 52.35 16.57 10.86 26.80 114.86 -99.86 -64.20 144.38 95.37 4.62 0.01 93.04 2.11 0.13 0.00 0.01 0.00 4.56 0.15 49 R E E 100.20 8.60 19.96 29.45 125.46 -161.55 -122.92 139.34 8.51 91.47 0.03 7.62 0.67 0.05 0.01 0.02 0.00 91.08 0.56 50 L E E 69.20 13.81 18.82 32.48 110.69 -115.68 -75.14 126.63 0.90 99.10 0.00 0.83 0.03 0.00 0.00 0.00 0.00 99.11 0.03 51 L E E 18.13 19.45 19.63 39.14 101.40 175.48 -95.96 -34.66 2.89 97.10 0.01 1.96 0.76 0.02 0.00 0.00 0.00 97.24 0.01 52 I E E 17.75 19.11 21.15 40.22 136.53 5.80 -147.75 143.18 0.64 99.35 0.00 0.52 0.05 0.00 0.00 0.00 0.00 99.42 0.01 53 Y E E 52.42 17.66 21.14 38.06 125.00 -170.31 -127.72 131.53 1.66 98.31 0.02 1.44 0.07 0.01 0.01 0.00 0.00 98.43 0.04 54 K E E 65.61 13.15 22.85 35.69 119.02 -171.62 -120.84 125.75 10.19 89.64 0.18 8.40 1.22 0.23 0.06 0.08 0.00 89.65 0.36 55 I E E 38.03 16.95 17.86 34.53 111.70 -167.13 -105.34 110.07 41.83 56.24 1.93 27.95 11.38 4.53 0.62 1.26 0.01 52.93 1.32 56 S C C 42.71 10.48 18.62 29.34 116.56 40.44 -117.53 163.60 75.62 20.68 3.69 28.83 28.48 19.66 0.75 2.74 0.02 17.70 1.84 57 N C C 94.96 7.43 17.30 25.39 106.81 -42.07 -93.51 44.09 82.35 11.80 5.85 31.16 29.99 22.66 1.17 4.28 0.02 8.65 2.07 58 R C C 116.98 8.94 15.49 25.19 113.66 136.78 -95.93 122.65 73.05 20.52 6.43 44.49 16.54 13.20 1.87 4.52 0.03 15.33 4.01 59 I C C 79.57 11.70 13.17 25.27 112.43 -161.73 -98.10 114.54 72.36 21.93 5.70 46.81 14.41 11.68 1.74 4.07 0.02 16.15 5.12 60 S C T 67.66 6.63 15.66 23.44 112.41 -168.79 -98.36 119.45 80.23 15.74 4.03 29.60 18.03 34.29 0.91 2.89 0.02 11.58 2.68 61 G C T 49.46 5.02 17.28 23.18 103.51 -24.77 84.45 1.49 88.66 9.23 2.11 27.24 28.43 33.81 0.29 1.92 0.00 6.84 1.47 62 L C C 43.03 17.07 10.89 27.49 116.94 121.41 -94.84 131.00 87.59 11.79 0.62 60.37 25.58 2.00 0.19 0.49 0.00 7.12 4.25 63 P C C 65.75 7.61 16.32 25.07 111.07 -109.10 -66.51 149.86 86.95 6.88 6.17 53.33 14.49 18.86 1.24 5.45 0.00 5.10 1.52 64 D C C 103.63 5.71 16.77 23.70 97.63 -100.47 -71.71 -1.80 82.62 5.99 11.39 34.75 21.67 26.78 1.63 9.90 0.02 4.02 1.24 65 R C C 102.75 10.80 18.07 28.87 101.21 71.88 -90.47 -1.45 73.12 15.19 11.69 29.80 29.17 15.57 1.90 9.20 0.03 12.76 1.56 66 F E E 27.91 22.20 13.69 35.01 121.87 76.49 -111.25 135.17 29.61 65.16 5.24 21.52 6.88 3.58 2.29 2.95 0.03 59.93 2.83 67 S E E 51.92 8.08 23.28 32.32 133.04 148.00 -136.26 153.17 17.47 81.82 0.70 14.70 2.24 0.69 0.40 0.36 0.00 79.41 2.20 68 G E E 22.04 19.03 15.63 33.34 139.49 170.27 -153.49 165.16 17.80 81.91 0.30 14.79 2.64 0.66 0.11 0.18 0.00 80.44 1.18 69 S E E 59.87 6.62 21.48 29.54 134.81 -169.12 -144.32 157.36 24.78 74.89 0.33 20.40 3.91 0.91 0.10 0.24 0.00 72.90 1.53 70 G E E 30.03 12.19 15.99 28.40 138.05 141.42 -148.14 172.35 49.07 50.46 0.47 34.66 12.60 2.76 0.09 0.46 0.00 47.53 1.89 71 A C C 65.72 5.31 20.16 26.21 120.86 -111.05 -114.82 140.89 66.74 30.75 2.51 31.12 24.05 13.93 0.35 2.41 0.01 24.63 3.50 72 E C S 99.05 8.74 19.42 28.23 108.93 -46.52 39.56 -128.24 94.65 2.88 2.47 7.47 48.00 39.34 0.13 2.45 0.00 2.08 0.52 73 T C S 55.15 14.24 16.55 30.51 99.22 -11.54 -100.25 -2.13 92.95 5.08 1.96 7.78 50.00 35.38 0.11 1.90 0.00 4.20 0.62 74 N C E 65.19 8.94 22.42 32.31 122.07 83.04 -110.52 133.67 52.49 46.74 0.77 31.85 17.59 4.47 0.14 0.84 0.00 40.48 4.62 75 F E E 8.65 24.45 16.21 40.93 128.87 -175.33 -128.62 142.33 41.45 58.50 0.05 38.46 1.65 0.16 0.01 0.04 0.00 58.65 1.04 76 T E E 33.75 10.55 27.09 38.72 123.24 -161.77 -120.05 135.77 17.15 82.84 0.00 15.38 0.79 0.03 0.00 0.00 0.00 83.57 0.24 77 L E E 2.98 26.34 18.75 46.02 119.59 -163.35 -113.40 128.84 1.34 98.66 0.00 1.37 0.02 0.00 0.00 0.00 0.00 98.58 0.03 78 K E E 77.95 9.17 27.46 37.24 118.51 -162.70 -112.95 125.02 0.32 99.68 0.00 0.37 0.00 0.00 0.00 0.00 0.00 99.59 0.03 79 I E E 6.59 24.73 16.31 41.72 117.57 -167.95 -112.56 123.07 4.51 95.49 0.00 4.86 0.04 0.00 0.00 0.00 0.00 94.16 0.94 80 S C S 44.43 7.37 23.54 31.10 128.50 -174.10 -116.42 158.84 92.69 7.28 0.02 43.76 45.82 1.99 0.00 0.04 0.00 8.21 0.18 81 R C S 142.30 3.83 24.06 28.08 95.38 11.07 58.55 56.90 98.47 1.52 0.01 5.93 90.73 1.88 0.00 0.01 0.00 1.37 0.08 82 V C C 11.51 24.68 10.62 35.14 115.01 -153.42 -76.12 135.22 98.80 1.19 0.00 98.45 0.72 0.01 0.00 0.00 0.00 0.54 0.27 83 E C C 81.66 4.87 24.92 29.53 133.00 -174.70 -127.44 162.25 96.27 3.70 0.04 97.24 0.21 0.01 0.01 0.01 0.00 0.70 1.84 84 A H G 52.19 13.85 15.66 29.43 91.20 -100.58 -58.89 -32.06 2.38 0.02 97.60 0.15 0.17 1.47 0.21 97.98 0.00 0.02 0.00 85 E H G 124.55 3.74 22.13 26.61 89.70 63.25 -71.13 -15.83 2.08 0.03 97.89 0.09 0.14 1.35 0.15 98.25 0.00 0.03 0.00 86 D H G 8.71 22.68 16.17 39.37 92.75 64.53 -83.10 -6.69 3.12 0.04 96.84 0.41 0.30 1.35 0.19 97.71 0.00 0.04 0.00 87 V C C 40.06 16.60 20.05 36.81 115.12 114.69 -70.50 137.03 97.98 1.99 0.02 95.95 2.18 0.05 0.00 0.01 0.00 1.71 0.09 88 G E E 12.45 10.19 24.53 36.84 140.71 69.05 143.34 -167.91 4.22 95.78 0.00 3.62 0.63 0.01 0.00 0.00 0.00 95.47 0.26 89 L E E 40.64 14.63 25.36 40.15 118.91 -39.65 -102.40 133.97 0.36 99.64 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 90 Y E E 5.33 25.67 21.11 46.99 125.73 -166.53 -118.31 140.70 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 91 Y E E 22.32 19.06 28.20 46.61 128.04 -166.34 -124.24 142.52 0.23 99.77 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 92 C E E 1.75 26.31 24.14 50.46 122.85 -157.30 -115.10 135.63 0.70 99.30 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.37 0.01 93 V E E 13.30 18.95 26.68 45.06 129.48 -172.06 -125.68 145.37 1.06 98.94 0.00 0.95 0.04 0.00 0.00 0.00 0.00 98.96 0.05 94 Q E E 28.38 19.56 21.98 40.69 125.84 -157.11 -117.14 140.46 8.34 91.64 0.02 6.93 0.95 0.09 0.00 0.02 0.00 91.70 0.31 95 G C E 15.14 14.45 19.76 34.17 133.18 159.83 -142.83 169.09 49.99 49.86 0.15 39.98 7.85 0.97 0.02 0.15 0.00 50.22 0.80 96 T C S 69.24 9.58 17.08 27.01 107.18 -134.93 -101.00 -13.71 83.22 15.89 0.90 25.21 43.82 14.55 0.10 0.94 0.00 13.98 1.41 97 Q C S 114.07 4.41 17.33 22.36 106.80 19.57 -97.98 -9.55 95.87 2.99 1.15 12.48 59.40 24.13 0.09 1.13 0.00 2.17 0.59 98 F C S 113.41 6.23 14.18 21.85 118.95 13.15 -115.33 129.86 95.06 3.79 1.15 18.89 60.62 15.65 0.10 1.17 0.00 2.82 0.75 99 P C C 75.39 6.20 17.36 24.32 114.13 -48.13 -70.75 148.25 85.28 13.98 0.74 45.04 29.38 10.33 0.07 0.86 0.00 13.60 0.72 100 W C E 90.91 15.97 15.10 30.62 116.53 -116.90 -82.86 134.65 51.19 48.46 0.35 42.96 5.25 1.45 0.05 0.33 0.00 49.24 0.72 101 T E E 43.79 12.69 21.26 34.21 128.81 -173.29 -126.41 145.50 10.92 89.00 0.07 9.73 0.87 0.15 0.03 0.05 0.00 87.09 2.09 102 S E E 29.82 19.10 17.83 35.97 123.06 -149.01 -106.84 144.74 11.68 88.24 0.07 9.91 1.29 0.21 0.02 0.05 0.00 85.95 2.57 103 G C E 16.85 14.90 19.13 33.77 125.13 -144.50 -87.85 171.31 54.22 45.68 0.10 42.44 9.84 0.89 0.02 0.10 0.00 45.91 0.80 104 Q C C 111.36 6.12 23.45 30.12 108.19 -87.22 -77.51 108.65 70.46 29.46 0.07 61.50 6.38 0.47 0.01 0.07 0.00 31.13 0.44 105 G C C 14.45 19.37 16.74 34.91 128.96 -132.16 -95.73 172.42 58.94 41.01 0.05 53.32 3.38 0.24 0.01 0.04 0.00 42.60 0.42 106 T E E 26.96 16.37 20.14 36.64 128.67 -120.86 -124.04 144.60 7.23 92.76 0.01 6.76 0.23 0.01 0.00 0.00 0.00 92.80 0.19 107 K E E 97.84 9.98 23.65 33.77 119.50 -137.28 -100.61 133.64 0.68 99.32 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.34 0.02 108 V E E 10.63 23.07 14.82 38.03 118.95 -159.80 -110.65 128.80 0.88 99.12 0.00 0.86 0.02 0.00 0.00 0.00 0.00 99.10 0.02 109 E E E 91.77 5.82 23.69 29.87 118.10 -158.33 -106.68 129.54 2.68 97.31 0.00 2.62 0.08 0.01 0.00 0.00 0.00 97.16 0.13 110 I E E 32.76 19.82 10.99 30.09 114.95 -152.59 -97.62 126.27 21.76 78.21 0.03 22.11 0.21 0.03 0.01 0.01 0.00 76.79 0.85 111 K C C 130.63 3.90 19.06 23.80 112.74 -155.49 -92.29 127.97 99.61 0.39 0.00 99.65 0.05 0.01 0.00 0.00 0.00 0.28 0.01