# 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 113.00 5.62 19.51 25.98 118.91 -153.52 -103.63 133.08 98.92 1.07 0.01 98.97 0.08 0.02 0.00 0.00 0.00 0.91 0.02 1 V E E 43.56 18.74 11.74 29.48 121.36 -161.72 -111.46 132.85 48.17 51.25 0.58 47.02 0.58 0.29 0.26 0.19 0.00 50.71 0.96 2 Q E E 92.16 5.83 20.88 27.51 122.17 -164.82 -115.40 135.42 24.59 74.34 1.07 22.18 1.66 0.60 0.55 0.47 0.00 73.64 0.89 3 L E E 55.40 18.04 14.18 31.45 119.46 -149.10 -103.69 130.98 24.21 74.64 1.15 22.13 1.46 0.51 0.58 0.47 0.00 74.08 0.77 4 V E E 51.88 11.04 18.64 30.60 121.32 -166.20 -113.49 134.39 28.37 69.80 1.84 24.57 2.77 1.03 0.85 0.86 0.00 68.85 1.05 5 E E E 104.08 10.27 17.52 28.33 115.78 -142.34 -93.63 132.80 41.21 56.01 2.78 31.69 7.03 3.08 0.88 1.78 0.01 54.32 1.22 6 S C C 48.43 12.70 15.56 28.16 113.08 -172.17 -102.28 126.33 66.25 30.28 3.47 45.11 13.20 7.67 0.66 2.88 0.00 29.12 1.37 7 G C S 45.99 7.01 18.46 25.74 104.46 -108.10 79.32 3.45 78.90 19.02 2.09 27.96 28.86 22.89 0.25 1.87 0.00 16.91 1.25 8 G C S 35.75 10.94 17.31 28.04 117.27 -1.66 116.28 33.39 81.46 17.10 1.45 27.19 32.67 21.81 0.13 1.47 0.00 15.73 1.02 9 G C E 29.19 10.48 18.83 29.47 120.78 -94.24 109.29 -171.26 61.12 38.38 0.50 35.43 22.73 3.74 0.06 0.54 0.00 36.49 1.00 10 L E E 76.69 11.91 20.40 32.10 119.68 -44.58 -103.77 135.76 21.72 78.11 0.17 17.48 4.13 0.48 0.04 0.15 0.00 76.06 1.65 11 V E E 21.15 19.90 15.23 34.99 123.80 -167.58 -117.32 135.84 8.69 91.26 0.05 7.76 0.79 0.03 0.04 0.02 0.00 78.46 12.89 12 Q C C 94.64 5.69 23.06 29.06 119.80 -128.23 -86.57 146.54 88.66 11.31 0.03 88.38 0.61 0.06 0.01 0.02 0.00 10.32 0.61 13 P C T 68.91 12.59 14.71 27.48 109.93 -87.80 -59.07 137.76 98.66 1.05 0.30 0.60 2.91 95.40 0.02 0.23 0.00 0.74 0.10 14 G C T 51.05 3.27 19.35 23.17 96.80 22.01 87.44 -5.78 99.02 0.72 0.26 0.80 3.75 94.59 0.01 0.21 0.00 0.60 0.04 15 G C C 23.08 9.49 16.34 27.10 127.84 115.68 -90.32 173.29 88.62 11.33 0.06 72.83 15.33 0.27 0.01 0.06 0.00 10.86 0.64 16 S E E 54.99 9.42 20.60 30.84 130.95 -123.41 -128.00 152.55 33.61 66.37 0.02 33.43 0.56 0.03 0.00 0.01 0.00 64.86 1.10 17 L E E 13.93 23.01 15.82 38.74 125.31 -156.09 -123.86 137.34 2.28 97.72 0.00 2.15 0.06 0.00 0.00 0.00 0.00 97.67 0.12 18 R E E 115.60 7.92 25.12 33.72 119.18 -154.55 -111.42 127.60 1.13 98.87 0.00 1.06 0.04 0.00 0.00 0.00 0.00 98.86 0.04 19 L E E 6.35 25.37 16.54 42.32 123.47 -169.03 -115.82 134.63 5.48 94.50 0.02 5.08 0.27 0.02 0.00 0.01 0.00 94.46 0.15 20 S E E 42.49 9.72 26.79 36.87 127.88 -165.63 -118.85 143.65 19.18 80.74 0.08 17.02 1.42 0.13 0.02 0.05 0.00 81.10 0.27 21 C E E 6.14 24.75 16.76 41.58 133.26 172.24 -140.35 151.57 24.80 74.99 0.21 22.19 1.94 0.27 0.06 0.13 0.00 74.66 0.75 22 A E E 41.45 9.60 27.01 37.12 122.52 -158.35 -113.66 139.30 17.58 82.08 0.34 15.50 1.78 0.38 0.14 0.22 0.00 78.62 3.37 23 A E E 7.46 24.46 15.11 39.37 125.11 -170.72 -124.71 135.74 35.96 63.44 0.60 32.48 2.67 0.66 0.20 0.44 0.00 60.30 3.25 24 S C E 60.65 6.49 21.93 29.09 125.99 -169.50 -115.40 146.42 56.56 42.62 0.81 27.31 18.02 14.06 0.09 0.86 0.00 38.20 1.46 25 G C S 51.43 3.12 21.59 24.98 97.00 16.20 81.35 3.43 78.71 20.64 0.66 22.59 38.43 17.96 0.05 0.75 0.00 19.13 1.08 26 F C C 34.63 21.44 11.28 31.58 120.52 126.66 -93.72 142.66 78.42 20.68 0.90 62.77 11.50 3.63 0.19 0.92 0.00 17.24 3.74 27 N C C 89.40 5.25 23.37 28.90 114.34 -157.77 -111.09 113.96 83.06 15.85 1.09 62.41 14.34 5.78 0.22 1.07 0.00 12.37 3.80 28 L C C 37.45 20.68 13.44 32.71 107.36 -157.73 -96.26 52.32 78.78 17.07 4.16 45.97 22.49 10.70 0.78 3.63 0.01 11.44 4.98 29 Y C S 147.57 4.32 21.14 25.94 100.89 103.84 -87.17 -21.84 83.74 13.24 3.01 16.47 37.65 30.41 0.30 2.75 0.00 10.80 1.62 30 S C T 53.39 7.93 21.36 29.44 125.98 19.78 -134.27 140.32 76.87 20.35 2.78 21.92 26.85 28.48 0.25 2.67 0.00 18.67 1.16 31 S C E 11.69 21.91 15.98 37.19 128.37 93.87 -129.47 152.53 52.25 47.30 0.45 41.17 9.36 1.19 0.07 0.43 0.00 46.72 1.05 32 S E E 22.94 12.29 26.77 39.78 129.57 -154.47 -128.12 148.32 13.52 86.43 0.05 12.37 0.92 0.11 0.01 0.03 0.00 86.03 0.53 33 I E E 3.05 26.78 19.83 47.36 124.33 -157.80 -120.81 134.53 2.77 97.22 0.00 2.54 0.13 0.01 0.00 0.00 0.00 97.27 0.06 34 H E E 45.56 14.01 28.13 42.23 127.91 -172.19 -126.47 142.35 0.73 99.27 0.00 0.65 0.03 0.00 0.00 0.00 0.00 99.31 0.01 35 W E E 8.84 24.45 21.33 45.80 123.83 -156.78 -113.26 136.37 0.52 99.47 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.51 0.00 36 V E E 16.75 16.64 24.41 41.16 128.04 -170.36 -126.28 141.35 0.41 99.59 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 37 R E E 49.55 16.85 21.17 37.52 124.34 -161.50 -116.80 137.60 0.71 99.29 0.00 0.60 0.03 0.00 0.00 0.00 0.00 99.34 0.02 38 Q E E 63.61 11.93 18.82 31.33 117.06 -141.48 -99.38 127.43 6.09 93.89 0.01 5.40 0.38 0.03 0.00 0.01 0.00 93.94 0.25 39 A C C 27.26 11.40 13.59 26.57 117.53 -137.73 -79.75 150.31 78.71 21.15 0.14 75.42 2.03 0.31 0.02 0.10 0.00 21.45 0.67 40 P C T 95.59 4.85 12.70 19.39 108.95 -85.82 -58.94 135.51 94.73 0.42 4.85 0.76 4.94 88.25 0.09 5.60 0.00 0.25 0.10 41 G C T 69.61 0.28 13.16 10.76 96.00 15.09 81.81 -4.27 94.72 0.15 5.13 0.72 4.50 88.66 0.10 5.90 0.00 0.08 0.05 42 K C T 129.83 3.51 11.88 16.90 107.68 73.09 -107.38 -1.41 88.37 4.17 7.46 12.18 36.00 39.35 0.30 8.52 0.00 2.79 0.86 43 G C C 32.30 4.28 16.62 22.08 127.59 -118.12 90.89 -167.85 70.19 29.56 0.26 52.52 15.27 2.21 0.04 0.28 0.00 28.42 1.27 44 L E E 57.59 16.09 13.31 29.19 115.96 -28.49 -79.22 136.91 29.31 70.65 0.04 26.61 1.28 0.11 0.00 0.04 0.00 71.71 0.25 45 E E E 76.21 9.57 21.56 31.70 127.04 -169.80 -125.48 140.52 2.64 97.35 0.01 2.23 0.18 0.01 0.00 0.00 0.00 97.52 0.05 46 W E E 87.23 15.91 19.56 35.07 110.95 -113.76 -73.77 128.18 0.65 99.35 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.36 0.01 47 V E E 10.70 20.57 21.15 42.05 101.82 175.84 -98.95 -31.55 3.49 96.50 0.00 2.11 1.01 0.03 0.00 0.00 0.00 96.85 0.01 48 A E E 3.63 21.80 22.41 44.61 142.94 -2.35 -156.17 154.68 0.38 99.62 0.00 0.28 0.03 0.00 0.00 0.00 0.00 99.68 0.00 49 Y E E 48.83 16.33 25.34 41.16 129.68 -160.25 -132.84 140.56 0.28 99.71 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.74 0.00 50 I E E 10.66 21.34 19.72 41.32 119.99 -156.93 -115.63 127.49 1.22 98.78 0.00 1.03 0.07 0.00 0.00 0.00 0.00 98.83 0.07 51 Y E E 65.21 10.26 21.85 33.09 114.85 -159.88 -104.64 122.83 21.20 78.67 0.13 17.94 2.28 0.32 0.02 0.10 0.00 78.83 0.50 52 S C T 39.12 15.17 14.46 29.44 97.51 -148.46 -69.60 -29.88 89.08 6.46 4.46 8.86 17.61 62.28 0.25 4.59 0.00 5.69 0.72 53 S C T 83.47 2.69 16.65 19.90 95.52 54.99 -76.49 -26.43 93.84 1.04 5.12 3.02 12.91 77.16 0.23 5.63 0.00 0.72 0.34 54 S C T 72.14 3.61 14.73 19.11 101.35 34.13 -99.40 -4.48 94.50 0.81 4.69 4.33 13.33 75.79 0.19 5.55 0.00 0.54 0.26 55 G C C 43.63 6.98 13.81 22.03 99.80 -121.13 80.48 5.67 93.54 4.97 1.49 37.30 21.21 35.22 0.16 1.48 0.00 3.93 0.69 56 S C C 57.39 6.04 17.48 24.57 119.06 137.82 -82.76 146.75 66.63 33.14 0.23 57.01 6.95 1.18 0.03 0.24 0.00 33.80 0.79 57 T E E 58.16 15.98 14.53 29.96 127.60 -160.29 -122.43 141.59 16.13 83.79 0.08 14.20 1.51 0.20 0.02 0.06 0.00 82.99 1.02 58 S E E 41.14 10.88 21.58 32.80 130.71 -174.03 -129.55 149.07 6.09 93.87 0.05 4.96 0.99 0.11 0.01 0.03 0.00 93.26 0.64 59 Y E E 81.45 17.15 17.17 33.33 128.73 -156.79 -122.49 143.89 15.89 83.97 0.14 14.27 1.34 0.19 0.07 0.08 0.00 81.49 2.56 60 A C C 15.73 17.35 13.46 31.30 114.05 -108.84 -70.52 144.50 88.61 10.89 0.49 84.43 3.31 0.59 0.14 0.29 0.00 10.36 0.86 61 D C G 117.20 1.96 18.18 20.61 92.67 -121.02 -61.38 -31.26 51.68 0.86 47.46 3.53 7.23 40.10 3.65 44.61 0.01 0.55 0.33 62 S C G 63.33 6.70 17.57 25.39 90.83 61.77 -70.18 -19.00 51.87 0.37 47.76 1.41 4.61 44.69 3.01 45.87 0.00 0.22 0.18 63 V C G 8.78 22.55 10.76 33.33 98.25 44.59 -102.00 -1.70 51.57 1.82 46.60 3.74 6.79 40.14 3.87 43.55 0.02 1.19 0.70 64 K C T 124.89 6.90 14.97 24.36 110.17 123.44 -60.23 130.11 90.12 3.31 6.56 2.77 4.17 84.03 2.02 3.47 0.01 1.62 1.91 65 G C T 62.15 1.25 18.54 18.86 93.53 14.19 81.10 -2.69 93.43 0.43 6.14 1.00 3.82 89.57 1.08 4.09 0.00 0.28 0.16 66 R C T 86.45 12.59 17.24 29.97 100.13 81.34 -98.41 -22.82 93.22 1.65 5.13 5.88 20.37 67.17 0.84 3.95 0.00 1.52 0.27 67 F E E 9.02 24.17 12.63 37.10 134.53 33.80 -137.20 149.95 16.19 83.58 0.24 11.61 4.49 0.61 0.09 0.16 0.00 80.82 2.22 68 T E E 64.79 6.06 26.56 33.30 126.36 -162.34 -125.74 141.79 3.20 96.79 0.01 2.96 0.16 0.01 0.00 0.01 0.00 96.63 0.23 69 I E E 19.00 24.46 14.37 38.65 123.07 -159.65 -119.56 132.09 2.74 97.25 0.01 2.64 0.08 0.01 0.00 0.00 0.00 97.19 0.08 70 S E E 50.11 6.04 26.00 32.48 131.65 -178.32 -131.33 149.61 4.13 95.86 0.02 3.63 0.28 0.03 0.00 0.01 0.00 95.94 0.11 71 A E E 36.02 19.88 13.23 31.97 122.90 -150.31 -113.08 133.91 9.71 90.20 0.10 8.36 1.20 0.16 0.02 0.06 0.00 89.60 0.60 72 D E E 58.28 6.86 17.98 26.29 109.62 -155.34 -108.45 109.48 36.66 63.12 0.23 34.67 1.54 0.29 0.07 0.16 0.00 61.49 1.78 73 T C T 81.36 8.85 12.78 23.20 93.64 -166.26 -68.82 -23.98 86.55 0.76 12.69 2.79 10.18 71.67 0.41 14.21 0.00 0.53 0.21 74 S C T 92.54 0.95 16.05 15.78 93.08 57.33 -71.04 -30.84 86.27 0.77 12.95 1.71 9.84 72.94 0.40 14.36 0.00 0.50 0.24 75 K C T 107.05 5.46 15.82 22.07 97.69 34.43 -96.91 -2.56 87.23 0.39 12.39 3.46 18.02 63.62 0.37 14.15 0.00 0.23 0.16 76 N C T 60.07 13.45 16.10 30.13 95.66 -129.23 55.96 41.45 99.10 0.50 0.40 9.18 16.10 73.83 0.05 0.36 0.00 0.41 0.07 77 T E E 28.94 12.01 21.99 35.20 135.36 119.68 -135.10 153.58 20.94 79.02 0.03 16.95 3.56 0.19 0.01 0.03 0.00 77.23 2.03 78 A E E 3.35 24.79 18.55 43.99 122.99 -152.16 -117.84 135.36 4.02 95.98 0.00 3.82 0.15 0.01 0.00 0.00 0.00 95.74 0.28 79 Y E E 51.21 12.95 27.04 40.51 123.69 -163.14 -118.80 135.56 2.14 97.86 0.00 1.86 0.11 0.01 0.00 0.00 0.00 98.00 0.01 80 L E E 3.59 25.87 19.59 46.19 119.55 -161.75 -112.42 128.68 0.33 99.67 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 81 Q E E 60.23 10.93 27.15 38.48 118.44 -162.12 -112.56 126.83 0.19 99.81 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 82 M E E 9.20 24.28 16.23 40.84 120.12 -168.42 -115.99 130.15 13.53 86.47 0.00 13.70 0.11 0.00 0.00 0.00 0.00 85.45 0.74 83 N C S 73.59 7.09 22.95 30.23 119.67 -152.71 -97.21 150.27 95.77 4.17 0.06 38.37 51.59 5.17 0.00 0.10 0.00 4.57 0.19 84 S C S 58.94 5.92 24.28 30.29 101.98 9.17 59.86 73.43 98.84 1.12 0.04 13.63 80.23 5.04 0.00 0.05 0.00 0.89 0.16 85 L C C 16.89 24.19 11.96 35.90 112.87 -146.74 -75.73 129.01 98.66 1.32 0.01 97.85 1.03 0.02 0.00 0.01 0.00 0.48 0.60 86 R C C 98.36 5.04 24.77 29.97 133.46 174.25 -129.21 162.75 97.19 2.77 0.03 95.72 1.41 0.01 0.02 0.01 0.00 0.42 2.41 87 A H G 48.81 14.82 15.83 30.38 91.07 -100.96 -59.25 -33.97 4.61 0.03 95.36 0.27 0.35 3.18 0.64 95.54 0.00 0.02 0.00 88 E H G 119.93 4.83 22.04 27.66 90.11 61.54 -69.97 -17.84 3.85 0.03 96.12 0.20 0.26 2.69 0.58 96.24 0.00 0.02 0.00 89 D H G 14.64 20.93 17.30 38.38 94.51 60.77 -88.16 -0.38 4.95 0.06 94.99 0.92 0.61 2.22 0.72 95.47 0.00 0.05 0.00 90 T C C 31.18 18.08 21.63 39.19 115.40 105.20 -81.78 132.93 88.17 9.35 2.48 83.09 4.87 0.71 0.41 1.83 0.00 8.29 0.80 91 A E E 12.55 19.09 23.61 41.85 140.00 156.12 -143.59 166.37 12.89 86.96 0.14 11.75 1.29 0.14 0.06 0.07 0.00 85.50 1.20 92 V E E 28.83 17.19 25.86 42.56 119.17 -113.37 -103.99 132.58 1.89 98.07 0.04 1.78 0.09 0.01 0.01 0.01 0.00 98.02 0.08 93 Y E E 10.37 24.38 22.47 46.44 123.09 -165.87 -112.65 137.03 1.03 98.93 0.03 0.94 0.05 0.01 0.01 0.01 0.00 98.95 0.03 94 Y E E 30.03 19.20 27.35 45.59 128.60 -169.20 -124.91 143.14 2.56 97.30 0.14 2.26 0.14 0.03 0.05 0.03 0.00 97.41 0.08 95 C E E 6.52 23.58 23.69 46.69 125.62 -163.69 -121.47 137.26 11.74 87.68 0.58 10.15 1.07 0.24 0.30 0.18 0.00 87.72 0.34 96 A E E 11.86 19.39 22.43 41.35 122.25 -150.90 -106.30 142.96 26.00 71.80 2.20 22.22 2.95 1.01 1.25 0.98 0.01 70.34 1.24 97 R C E 91.40 13.86 21.72 34.69 116.72 -144.07 -98.76 135.45 50.64 43.68 5.67 29.47 16.08 7.89 2.01 3.28 0.04 39.40 1.83 98 G C C 27.67 10.75 20.17 30.86 124.06 26.09 134.92 -170.54 71.61 20.14 8.24 34.14 26.17 12.85 2.67 4.87 0.03 17.42 1.85 99 Y C C 108.66 10.66 17.57 28.29 110.42 -69.74 -93.67 111.38 71.50 10.80 17.70 41.94 18.10 12.03 8.85 8.60 0.04 8.21 2.22 100 Y C C 94.19 11.59 15.25 27.14 110.73 71.95 -94.22 109.83 64.62 8.14 27.23 36.40 14.35 14.37 15.13 11.82 0.06 5.79 2.07 101 S C C 54.21 8.49 16.30 25.55 106.42 58.32 -87.95 22.45 59.93 8.00 32.06 32.33 12.93 15.47 18.13 13.46 0.07 5.70 1.91 102 W C C 115.75 9.78 15.15 25.45 98.21 63.13 -74.18 -23.16 54.06 7.69 38.24 25.31 12.69 17.08 22.87 14.63 0.14 5.41 1.87 103 Y C C 94.22 11.57 13.87 25.59 100.59 61.89 -79.35 -17.49 54.57 6.63 38.81 25.81 12.66 17.09 25.41 12.54 0.14 4.64 1.73 104 K C H 112.30 6.58 15.43 22.80 97.67 60.62 -73.91 -26.80 54.18 4.82 41.01 25.52 13.85 15.88 28.57 11.41 0.11 3.25 1.40 105 A C H 57.67 6.23 14.58 21.96 97.95 62.37 -71.98 -30.64 47.77 5.63 46.60 23.55 11.28 13.97 31.77 14.03 0.11 4.02 1.25 106 S H H 51.44 8.40 14.57 23.86 97.51 56.63 -71.96 -29.91 41.20 8.15 50.65 20.75 8.67 12.75 33.05 17.05 0.17 6.07 1.50 107 W H H 98.98 11.54 13.19 25.02 97.97 56.72 -74.86 -26.24 33.95 9.87 56.18 16.62 7.02 11.13 35.04 20.85 0.22 7.52 1.60 108 A H H 55.03 7.01 14.80 23.08 95.93 65.61 -67.23 -34.23 34.31 8.62 57.07 16.40 6.99 11.25 34.39 22.78 0.17 6.70 1.32 109 L H H 91.98 6.61 14.89 22.30 97.08 54.86 -74.42 -22.57 38.93 8.65 52.41 17.32 7.95 14.00 30.27 22.23 0.20 6.51 1.52 110 A C H 49.51 10.42 12.74 23.67 100.68 61.25 -86.82 -2.03 51.91 7.10 40.99 21.95 12.42 18.19 23.05 17.41 0.26 4.77 1.96 111 D C C 74.51 8.28 12.93 22.24 106.92 94.88 -85.73 99.13 70.29 6.69 23.02 38.71 11.56 20.81 11.60 10.69 0.03 4.77 1.83 112 Y C C 124.01 7.83 11.52 20.40 104.15 167.22 -90.05 9.56 81.22 9.26 9.51 69.26 3.20 8.73 5.56 3.24 0.00 5.59 4.42 113 W C C 133.50 8.64 13.51 22.88 103.21 59.99 -91.76 13.58 99.89 0.09 0.02 99.82 0.07 0.04 0.01 0.00 0.00 0.05 0.01