# 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 92.44 5.09 20.20 25.76 111.67 -159.42 -95.02 117.70 99.72 0.27 0.00 99.61 0.13 0.03 0.00 0.00 0.00 0.21 0.01 1 V E E 38.44 18.40 12.23 29.93 118.58 -155.57 -105.27 129.52 47.48 52.45 0.07 46.34 0.60 0.14 0.01 0.04 0.00 52.26 0.61 2 V E E 67.10 7.56 20.51 28.95 120.05 -165.11 -114.11 131.14 11.16 88.80 0.04 10.04 0.79 0.09 0.01 0.02 0.00 88.72 0.31 3 L E E 37.83 19.36 14.54 33.49 119.96 -156.91 -106.67 130.91 4.05 95.94 0.01 3.75 0.22 0.03 0.00 0.01 0.00 95.84 0.16 4 T E E 59.71 8.56 21.65 30.83 128.03 -173.62 -126.33 142.36 5.86 94.11 0.03 5.36 0.36 0.05 0.01 0.01 0.00 93.67 0.54 5 Q E E 64.01 16.78 14.68 30.74 123.76 -158.80 -114.62 138.96 30.56 69.35 0.10 25.29 4.81 0.38 0.02 0.08 0.00 68.49 0.93 6 S C C 54.24 7.91 17.99 26.78 120.96 -132.67 -90.78 152.16 76.78 23.12 0.11 52.65 22.58 0.79 0.01 0.11 0.00 23.21 0.65 7 P C C 74.06 7.45 17.58 25.85 114.08 -37.02 -69.21 147.64 88.00 11.84 0.16 65.05 20.37 1.44 0.01 0.18 0.00 12.53 0.41 8 L C C 70.48 14.02 14.81 28.72 101.72 -153.01 -90.41 -4.30 65.18 34.62 0.21 49.68 13.52 1.12 0.03 0.22 0.00 34.57 0.85 9 S E E 59.40 8.44 19.36 28.76 131.94 29.55 -134.65 146.97 18.52 81.43 0.05 16.37 1.92 0.15 0.01 0.04 0.00 80.70 0.80 10 L E E 36.19 17.41 15.35 32.72 125.14 -173.40 -131.67 130.80 3.79 96.21 0.00 3.37 0.31 0.01 0.00 0.00 0.00 96.14 0.16 11 P E E 83.59 5.23 23.17 28.94 114.39 -121.07 -74.65 138.81 4.30 95.70 0.01 3.96 0.21 0.01 0.00 0.00 0.00 95.70 0.11 12 V E E 13.70 22.28 12.36 34.27 132.92 -177.43 -136.89 151.88 19.07 80.90 0.03 18.10 0.80 0.05 0.01 0.02 0.00 79.62 1.41 13 T E C 67.21 4.74 23.78 28.39 120.37 -130.54 -98.18 146.74 48.85 51.06 0.10 48.29 1.61 0.14 0.04 0.05 0.00 42.30 7.56 14 L C T 67.80 15.38 13.71 28.75 109.30 -91.86 -61.34 134.11 99.08 0.67 0.25 0.51 3.82 94.99 0.01 0.18 0.00 0.41 0.08 15 G C T 46.87 4.42 19.08 24.42 96.12 22.18 88.07 -6.07 99.68 0.20 0.12 0.61 4.77 94.35 0.01 0.10 0.00 0.13 0.02 16 Q C S 87.31 6.31 18.47 25.98 123.46 111.30 -95.71 148.77 96.91 3.06 0.04 34.41 63.07 0.18 0.01 0.03 0.00 1.76 0.55 17 P C C 79.81 7.39 19.09 27.35 115.70 -104.20 -67.20 146.35 94.52 5.47 0.01 94.29 0.82 0.04 0.00 0.01 0.00 4.56 0.28 18 A E E 9.61 22.88 13.88 36.50 128.78 -163.80 -125.40 148.38 8.27 91.72 0.01 7.94 0.31 0.02 0.00 0.01 0.00 90.97 0.76 19 S E E 54.46 8.06 25.36 33.99 123.10 -149.51 -116.13 136.98 1.13 98.86 0.00 1.11 0.04 0.00 0.00 0.00 0.00 98.77 0.08 20 I E E 6.73 25.59 16.46 42.57 124.30 -168.18 -123.50 133.17 3.20 96.79 0.01 3.05 0.14 0.01 0.00 0.00 0.00 96.69 0.10 21 S E E 38.81 9.66 26.80 36.95 127.06 -167.55 -118.90 144.58 16.50 83.49 0.02 15.49 0.50 0.03 0.00 0.01 0.00 83.84 0.13 22 C E E 5.46 25.50 16.98 42.74 131.57 -173.88 -134.32 145.88 18.45 81.51 0.04 17.43 0.71 0.06 0.01 0.02 0.00 81.33 0.44 23 R E E 98.12 8.65 26.90 36.23 126.28 -163.35 -124.48 138.93 7.88 91.99 0.13 7.24 0.55 0.10 0.08 0.06 0.00 87.54 4.44 24 S E E 11.07 23.38 14.98 37.86 122.53 -153.14 -104.54 145.15 35.46 63.18 1.35 32.10 2.55 0.63 0.68 0.72 0.00 60.95 2.37 25 S C C 53.99 7.73 21.52 29.68 105.95 -140.08 -86.37 47.54 72.39 19.52 8.09 48.63 18.90 5.24 3.42 4.34 0.01 17.71 1.74 26 Q C C 89.40 9.57 17.21 27.13 111.36 51.13 -92.35 125.49 61.48 8.10 30.42 24.83 21.19 17.05 14.73 14.53 0.20 5.41 2.06 27 S C C 60.60 7.70 18.53 26.76 111.78 -106.79 -83.57 134.08 60.81 8.14 31.04 32.70 12.91 15.79 14.57 16.27 0.07 5.80 1.90 28 L C C 56.78 15.03 15.48 30.05 105.60 -125.46 -85.40 43.19 51.76 14.97 33.27 26.59 13.64 13.06 16.33 16.27 0.31 10.85 2.96 29 V C C 55.63 13.04 16.57 29.72 111.17 67.93 -96.72 107.21 47.37 27.47 25.16 26.13 11.34 11.22 14.86 10.22 0.63 20.27 5.32 30 Y C C 112.83 9.51 15.85 26.03 112.52 -155.57 -98.52 113.47 58.26 26.24 15.50 37.24 11.73 9.90 8.95 6.63 0.19 20.33 5.03 31 S C C 54.66 9.69 13.84 24.33 113.15 140.83 -103.15 115.50 74.70 17.11 8.19 41.03 15.74 18.97 3.56 4.28 0.03 13.28 3.11 32 D C T 98.54 4.62 16.52 22.01 100.61 -110.89 -89.16 13.10 87.95 6.42 5.63 26.84 25.90 36.08 1.50 3.72 0.00 4.55 1.41 33 G C S 39.11 8.54 15.82 24.92 99.00 -93.19 83.27 2.82 92.99 3.90 3.10 16.04 42.40 34.90 0.39 2.58 0.00 2.94 0.75 34 D C C 70.54 9.00 18.99 28.48 109.75 97.47 -95.33 92.83 80.79 17.63 1.58 36.71 32.34 12.09 0.21 1.52 0.00 15.69 1.43 35 T E E 22.01 19.86 16.62 36.02 117.74 127.72 -104.65 134.17 46.78 52.78 0.44 37.39 7.54 1.43 0.08 0.38 0.00 52.09 1.09 36 Y E E 51.53 13.52 25.17 39.02 129.91 165.21 -126.64 147.73 12.02 87.91 0.07 10.57 1.20 0.14 0.02 0.04 0.00 87.37 0.65 37 L E E 4.47 25.74 20.37 46.59 122.15 -155.98 -113.08 132.88 4.24 95.75 0.01 3.85 0.24 0.02 0.00 0.00 0.00 95.79 0.09 38 N E E 29.50 15.50 27.19 42.47 128.07 -171.54 -124.01 144.05 1.28 98.71 0.00 1.21 0.05 0.00 0.00 0.00 0.00 98.72 0.02 39 W E E 10.47 23.95 21.26 45.17 123.92 -160.17 -113.22 139.75 0.66 99.34 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.34 0.01 40 F E E 23.80 16.38 23.90 40.45 130.56 -173.59 -127.86 148.82 0.51 99.49 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.52 0.02 41 Q E E 35.21 15.55 21.28 37.00 123.72 -154.06 -115.28 138.27 2.23 97.77 0.00 1.86 0.15 0.01 0.00 0.00 0.00 97.89 0.08 42 Q E E 49.09 13.89 16.56 31.13 119.03 -146.14 -105.10 133.00 27.02 72.96 0.02 24.80 1.28 0.06 0.00 0.01 0.00 72.85 1.00 43 R C C 99.37 7.65 15.48 24.48 119.70 -144.45 -91.28 145.64 97.40 2.57 0.03 95.58 1.97 0.15 0.01 0.02 0.00 1.90 0.39 44 P C T 97.56 4.88 11.70 18.51 109.36 -87.52 -58.80 134.31 99.79 0.07 0.15 0.20 2.87 96.74 0.00 0.13 0.00 0.04 0.01 45 G C T 69.60 0.24 13.10 10.33 94.47 17.97 83.37 -2.92 99.81 0.05 0.14 0.27 2.80 96.76 0.00 0.14 0.00 0.03 0.01 46 Q C S 86.40 5.82 9.20 17.16 129.00 96.13 -114.77 158.47 94.86 4.98 0.16 36.44 58.07 0.66 0.03 0.13 0.00 1.72 2.94 47 S C C 83.96 1.35 16.97 17.53 116.99 -97.49 -68.05 150.88 97.89 2.09 0.02 89.02 8.80 0.18 0.00 0.02 0.00 1.71 0.26 48 P C C 55.06 15.98 10.82 26.24 115.14 -97.05 -64.44 144.96 94.21 5.77 0.02 91.62 2.30 0.14 0.00 0.02 0.00 5.73 0.19 49 R E E 101.49 8.44 19.27 28.76 125.41 -159.42 -121.35 140.19 9.03 90.94 0.03 8.05 0.77 0.07 0.01 0.02 0.00 90.53 0.56 50 R E E 102.75 13.08 18.56 31.45 111.02 -114.86 -75.82 127.82 0.96 99.03 0.00 0.90 0.04 0.00 0.00 0.00 0.00 99.03 0.03 51 L E E 21.82 18.85 19.38 38.30 101.41 175.84 -96.71 -34.55 3.59 96.40 0.01 2.48 0.97 0.03 0.00 0.01 0.00 96.50 0.02 52 I E E 19.78 18.96 20.59 39.59 136.94 5.22 -147.10 142.68 0.79 99.21 0.01 0.67 0.06 0.00 0.00 0.00 0.00 99.25 0.01 53 Y E E 55.51 17.27 21.19 37.79 126.80 -171.24 -129.73 133.70 2.28 97.67 0.05 2.04 0.11 0.02 0.02 0.01 0.00 97.72 0.07 54 Q E E 57.82 13.74 22.78 36.16 119.07 -166.20 -113.63 126.53 15.58 83.91 0.52 13.10 1.89 0.53 0.20 0.26 0.00 83.49 0.54 55 V E E 32.25 17.18 17.97 35.00 115.81 -169.62 -106.81 127.21 46.80 49.26 3.94 36.15 7.91 3.34 1.37 2.34 0.01 47.42 1.45 56 S C C 39.06 11.14 18.48 30.19 123.04 -162.61 -116.65 151.71 71.70 23.79 4.52 42.73 18.69 11.14 1.08 3.41 0.01 20.76 2.16 57 N C C 91.17 8.54 16.98 26.12 104.92 -138.28 -95.44 62.76 80.61 14.44 4.95 45.89 21.15 14.46 1.04 4.02 0.01 10.64 2.78 58 R C C 118.92 8.69 14.25 23.83 109.33 138.10 -92.51 99.23 83.89 11.02 5.08 47.11 21.47 15.92 1.17 3.99 0.01 7.04 3.29 59 D C C 93.18 6.10 14.17 21.56 108.49 -114.70 -90.56 101.86 88.06 7.70 4.24 46.40 23.26 18.81 0.79 3.57 0.00 4.39 2.78 60 S C T 67.45 7.29 13.40 21.75 104.18 -167.85 -90.07 21.90 92.06 4.24 3.70 28.61 27.61 36.27 0.59 3.07 0.00 2.45 1.40 61 G C S 50.71 4.64 16.03 21.59 102.61 -96.79 83.09 3.87 92.83 5.42 1.74 30.93 33.97 28.30 0.22 1.74 0.00 3.44 1.39 62 V C C 48.33 13.50 11.72 25.83 117.30 112.03 -99.85 130.57 87.62 11.66 0.72 55.79 30.54 1.86 0.27 0.49 0.00 5.77 5.28 63 P C C 65.93 7.94 16.92 25.87 110.26 -108.77 -67.16 148.47 87.18 7.25 5.57 56.34 14.55 15.98 1.44 4.55 0.00 5.42 1.72 64 D C C 81.35 11.05 16.61 27.61 101.14 -113.86 -79.70 13.46 82.62 9.17 8.21 42.25 21.03 19.98 1.71 6.65 0.01 6.96 1.43 65 R C C 103.27 10.16 19.96 30.34 119.19 94.33 -111.45 134.10 63.68 28.23 8.08 34.44 22.16 8.42 2.29 5.46 0.03 25.28 1.91 66 F E E 31.00 21.91 14.94 36.06 122.91 -158.00 -111.11 137.62 24.67 71.93 3.39 18.88 4.59 1.86 2.03 1.72 0.03 66.83 4.05 67 S E E 49.80 9.23 23.52 33.55 133.63 -175.24 -136.75 153.86 22.83 76.26 0.91 18.76 2.88 0.88 0.52 0.48 0.00 73.77 2.72 68 G E E 20.69 18.54 16.42 33.70 138.82 160.33 -153.26 165.13 33.19 66.44 0.37 26.58 5.53 1.27 0.11 0.29 0.00 64.60 1.61 69 S E E 62.02 7.30 21.55 29.91 129.95 -147.89 -129.36 151.62 46.36 53.19 0.45 36.98 7.59 1.84 0.11 0.42 0.00 51.03 2.02 70 G C C 28.94 13.00 16.63 29.50 130.51 149.54 -163.10 172.47 65.32 33.85 0.83 41.91 18.50 5.73 0.14 0.90 0.00 30.05 2.75 71 S C S 70.24 5.35 20.92 27.08 118.07 -104.80 -106.99 133.77 72.43 24.84 2.73 19.61 28.82 26.23 0.29 2.72 0.02 18.53 3.79 72 G C T 31.25 10.79 19.28 29.92 113.03 -22.72 78.92 -147.24 93.62 4.06 2.32 8.10 42.23 43.44 0.11 2.44 0.00 3.01 0.68 73 T C S 52.66 14.82 17.83 32.15 100.13 -21.73 -98.13 3.58 85.44 12.74 1.82 13.90 45.13 26.64 0.12 1.92 0.00 10.94 1.35 74 D E E 62.04 9.24 23.14 33.21 119.05 87.14 -104.85 132.83 47.71 51.81 0.48 32.18 13.70 2.44 0.11 0.50 0.00 45.57 5.50 75 F E E 8.92 24.68 16.75 41.61 129.25 -175.35 -131.33 144.47 34.54 65.42 0.04 32.04 1.45 0.13 0.01 0.03 0.00 65.10 1.23 76 T E E 34.45 11.10 27.11 39.16 125.24 -165.17 -121.57 136.38 13.56 86.43 0.00 12.30 0.67 0.02 0.00 0.00 0.00 86.63 0.37 77 L E E 3.52 26.08 18.94 45.83 119.35 -162.51 -113.46 127.57 1.66 98.34 0.00 1.79 0.03 0.00 0.00 0.00 0.00 98.14 0.05 78 K E E 81.11 8.98 27.19 36.74 118.37 -162.63 -112.27 125.53 0.50 99.50 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.37 0.05 79 I E E 7.13 24.61 15.92 41.17 116.96 -168.71 -114.07 122.93 5.58 94.42 0.00 5.98 0.04 0.00 0.00 0.00 0.00 92.66 1.32 80 S C S 46.68 7.01 23.36 30.52 128.36 -173.88 -117.41 153.14 89.74 10.22 0.04 39.91 45.61 2.90 0.00 0.06 0.00 11.28 0.25 81 R C S 144.50 3.66 23.91 27.67 95.01 10.96 58.33 54.94 97.99 2.00 0.01 5.76 89.43 2.76 0.00 0.01 0.00 1.94 0.09 82 V C C 11.55 24.69 10.45 34.89 115.35 -155.59 -77.80 134.98 98.29 1.70 0.00 97.69 1.01 0.01 0.00 0.00 0.00 0.91 0.38 83 E C C 82.49 4.76 24.95 29.40 133.01 -173.72 -126.92 162.28 96.24 3.73 0.03 97.14 0.20 0.01 0.01 0.01 0.00 0.86 1.77 84 A H G 52.60 13.95 15.47 29.32 91.13 -100.06 -58.75 -32.78 2.40 0.02 97.58 0.14 0.17 1.49 0.23 97.96 0.00 0.01 0.00 85 E H G 125.54 3.67 22.03 26.38 89.63 62.99 -70.71 -16.07 2.12 0.03 97.85 0.08 0.13 1.39 0.16 98.21 0.00 0.02 0.00 86 D H G 11.08 21.99 16.54 38.87 93.19 63.63 -84.70 -5.14 3.12 0.03 96.84 0.37 0.29 1.43 0.20 97.68 0.00 0.03 0.00 87 V C C 37.37 17.29 19.86 37.18 114.86 111.61 -70.63 136.46 97.56 2.41 0.03 95.21 2.52 0.05 0.00 0.02 0.00 2.07 0.12 88 G E E 12.56 10.88 24.57 37.17 139.36 69.99 141.46 -167.11 6.84 93.16 0.00 5.59 1.26 0.03 0.00 0.00 0.00 92.75 0.38 89 V E E 35.40 14.95 25.26 40.29 119.48 -35.28 -102.45 132.67 0.49 99.51 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.51 0.01 90 Y E E 6.06 25.41 21.49 47.00 123.66 -165.97 -116.20 138.14 0.21 99.79 0.00 0.18 0.01 0.00 0.00 0.00 0.00 99.80 0.00 91 Y E E 21.88 19.37 28.09 46.65 129.12 -169.86 -125.66 144.06 0.43 99.57 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.01 92 C E E 2.26 25.83 24.27 49.93 124.02 -157.94 -117.76 136.83 2.05 97.95 0.00 1.78 0.08 0.00 0.00 0.00 0.00 98.10 0.04 93 M E E 17.98 18.92 26.29 44.52 130.12 -172.09 -125.00 145.47 4.85 95.13 0.02 4.46 0.23 0.02 0.00 0.01 0.00 94.94 0.34 94 Q E E 37.23 18.45 22.30 39.75 122.96 -152.31 -112.12 140.51 26.78 73.11 0.11 21.97 4.46 0.53 0.02 0.09 0.00 72.06 0.86 95 G C C 17.56 14.18 19.43 33.46 130.65 95.45 -138.23 171.52 73.36 26.27 0.37 52.79 16.71 3.42 0.05 0.41 0.00 25.13 1.49 96 S C S 63.52 8.86 17.57 26.73 102.54 -114.96 -90.00 -13.74 93.18 6.11 0.71 17.24 55.39 20.72 0.06 0.78 0.00 4.83 0.97 97 H C S 116.51 5.75 17.38 23.76 103.78 30.82 -95.55 -11.51 96.45 2.87 0.68 11.02 62.02 23.57 0.05 0.72 0.00 1.99 0.63 98 W C S 115.85 8.59 14.31 24.15 122.28 33.79 -119.34 134.13 94.42 5.29 0.29 18.19 74.54 2.32 0.05 0.22 0.00 3.10 1.60 99 P C C 77.06 5.69 18.60 24.94 115.85 -60.74 -69.96 150.15 96.21 3.54 0.26 68.25 24.42 3.52 0.03 0.31 0.00 2.93 0.54 100 P C C 50.98 16.46 14.66 30.59 113.75 -104.35 -68.04 143.42 89.26 10.35 0.38 77.66 8.30 2.57 0.05 0.42 0.00 10.28 0.73 101 T E E 52.41 11.62 21.13 32.90 124.57 -158.95 -118.50 143.12 28.59 71.07 0.34 23.95 2.61 0.71 0.13 0.25 0.00 62.74 9.60 102 F E E 54.41 19.56 17.09 35.49 117.92 -150.37 -103.67 131.80 26.22 73.39 0.40 21.12 3.59 0.87 0.19 0.29 0.00 65.52 8.41 103 G C C 21.24 13.36 19.29 32.39 121.62 -148.71 -71.76 -170.20 67.29 32.28 0.43 41.85 20.68 4.76 0.05 0.47 0.00 30.90 1.27 104 Q C C 120.51 4.63 22.77 27.78 99.58 -49.21 -79.25 2.69 75.91 23.64 0.44 48.46 21.86 4.75 0.04 0.52 0.00 23.52 0.84 105 G C C 14.85 18.63 16.93 34.42 126.31 -130.91 76.82 174.16 71.97 27.88 0.15 62.09 6.70 0.82 0.02 0.16 0.00 29.62 0.60 106 T E E 23.02 18.02 19.13 37.08 126.84 -107.49 -119.99 144.69 13.00 86.99 0.01 12.12 0.48 0.02 0.00 0.01 0.00 87.01 0.35 107 K E E 102.29 9.16 23.97 33.55 119.68 -136.84 -102.44 134.76 0.98 99.02 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.03 0.03 108 V E E 11.41 23.24 14.69 37.97 120.48 -162.68 -113.01 130.94 0.75 99.25 0.00 0.76 0.01 0.00 0.00 0.00 0.00 99.21 0.02 109 E E E 92.34 5.85 23.60 29.88 117.91 -157.69 -107.58 127.94 1.88 98.12 0.00 1.87 0.05 0.00 0.00 0.00 0.00 97.97 0.10 110 I E E 29.23 20.32 11.00 30.63 115.89 -157.47 -100.45 126.57 18.70 81.28 0.02 19.00 0.19 0.02 0.01 0.01 0.00 80.04 0.73 111 K C C 131.56 3.84 19.55 24.13 112.85 -151.49 -90.89 125.13 99.50 0.50 0.00 99.55 0.06 0.01 0.00 0.00 0.00 0.37 0.01