# 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 M C C 49.76 14.97 20.26 34.96 122.36 -161.20 -109.70 138.14 98.62 1.38 0.00 98.33 0.35 0.05 0.00 0.00 0.00 1.24 0.03 1 F E E 47.28 14.36 21.27 35.78 129.99 -163.68 -123.54 146.21 7.30 92.69 0.00 7.17 0.15 0.01 0.00 0.00 0.00 92.52 0.15 2 A E E 5.58 21.50 19.63 41.38 128.31 -165.03 -126.57 144.40 0.50 99.50 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.52 0.00 3 I E E 25.22 14.28 24.91 39.94 117.18 -147.99 -106.89 126.48 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 4 I E E 6.54 23.15 18.71 42.21 122.27 -168.74 -115.77 133.46 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 5 E E E 61.91 9.32 22.76 32.99 114.86 -149.79 -102.34 123.11 1.41 98.59 0.00 1.14 0.05 0.00 0.00 0.00 0.00 98.79 0.01 6 T E E 22.77 18.26 12.93 30.86 118.40 173.43 -130.69 116.17 10.99 88.89 0.12 6.80 2.66 1.20 0.01 0.14 0.00 88.95 0.23 7 G C T 53.05 4.28 15.89 21.41 95.26 -23.88 57.92 33.07 99.15 0.50 0.34 0.63 7.43 91.14 0.01 0.39 0.00 0.36 0.05 8 G C T 62.81 1.41 15.07 16.39 96.65 -43.72 82.46 1.26 99.57 0.19 0.24 0.81 8.70 90.04 0.00 0.30 0.00 0.13 0.02 9 K E E 117.76 3.77 15.11 20.75 125.41 99.11 -112.58 143.84 9.10 90.88 0.01 7.12 1.40 0.07 0.00 0.01 0.00 91.24 0.15 10 Q E E 96.35 10.02 14.04 25.11 119.12 -133.43 -101.57 132.69 1.95 98.05 0.00 1.73 0.04 0.00 0.00 0.00 0.00 98.21 0.01 11 I E E 32.62 15.36 15.37 31.67 124.64 -169.16 -122.64 136.46 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 12 K E E 116.64 5.67 23.17 29.71 114.58 -136.49 -91.59 129.18 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 13 V E E 9.53 23.60 11.65 35.02 126.48 -171.09 -122.22 143.89 1.67 98.33 0.00 1.70 0.02 0.00 0.00 0.00 0.00 98.19 0.08 14 E C C 103.60 3.50 23.25 26.42 125.57 -154.30 -109.37 154.66 68.81 31.17 0.02 68.89 0.54 0.04 0.00 0.01 0.00 29.88 0.63 15 E C T 118.06 8.12 14.24 23.79 109.87 -78.71 -59.38 133.62 99.26 0.59 0.16 0.18 1.53 97.83 0.01 0.09 0.00 0.31 0.05 16 G C T 51.68 2.68 18.23 21.30 96.04 22.63 87.75 -6.38 99.73 0.19 0.08 0.28 1.80 97.72 0.00 0.06 0.00 0.13 0.01 17 Q C C 72.03 9.67 15.04 26.04 119.72 124.83 -79.45 147.82 95.07 4.90 0.03 90.39 4.59 0.10 0.01 0.03 0.00 4.55 0.34 18 E E E 101.80 8.50 18.85 28.39 118.66 -134.57 -100.06 133.91 15.04 84.93 0.03 15.39 0.23 0.02 0.01 0.01 0.00 83.01 1.32 19 I E E 17.28 21.26 15.19 36.30 125.19 -170.17 -121.96 137.86 3.58 96.38 0.03 3.38 0.16 0.02 0.02 0.01 0.00 96.29 0.12 20 F E E 91.82 8.58 23.71 32.70 118.23 -147.98 -106.28 127.77 3.08 96.87 0.05 2.91 0.16 0.03 0.02 0.02 0.00 96.75 0.12 21 V E E 14.15 22.08 14.80 36.83 119.04 -166.57 -113.74 125.47 11.87 87.77 0.36 11.37 0.60 0.17 0.16 0.16 0.00 87.12 0.42 22 E E E 92.81 6.48 21.96 28.64 117.79 -150.74 -87.58 149.27 43.34 55.86 0.81 26.63 13.07 3.04 0.11 0.76 0.00 55.96 0.42 23 K C C 112.22 8.52 19.29 28.32 110.61 -38.23 -73.44 122.88 63.12 36.24 0.64 46.31 12.91 3.08 0.07 0.79 0.00 35.94 0.89 24 L C C 36.88 18.59 11.83 29.76 119.17 -167.72 -108.09 134.87 72.67 27.02 0.31 67.68 4.04 0.61 0.09 0.26 0.00 24.05 3.26 25 D C C 119.05 1.51 21.91 22.19 101.74 -133.63 -80.74 58.84 93.31 6.59 0.10 79.10 12.99 1.35 0.02 0.12 0.00 5.63 0.80 26 V C C 28.76 17.74 9.87 27.03 130.14 127.68 -118.49 155.46 95.42 4.54 0.04 84.04 11.68 0.17 0.01 0.03 0.00 1.17 2.90 27 N C C 106.73 1.76 20.86 21.22 120.59 -118.27 -85.42 155.09 99.09 0.83 0.08 97.93 1.03 0.22 0.03 0.03 0.00 0.32 0.45 28 E C T 120.77 7.60 12.95 22.13 108.75 -80.85 -59.43 133.60 99.64 0.19 0.17 0.26 2.21 97.29 0.01 0.10 0.00 0.10 0.04 29 G C T 51.62 2.68 17.13 20.32 96.42 22.58 88.21 -5.19 99.79 0.13 0.08 0.43 2.17 97.23 0.00 0.06 0.00 0.09 0.01 30 D C C 58.88 8.51 14.66 24.88 119.20 128.62 -77.85 149.32 94.21 5.78 0.02 91.15 2.89 0.09 0.00 0.02 0.00 5.62 0.23 31 T E E 73.71 8.69 17.78 27.74 122.41 -141.75 -114.74 138.07 6.87 93.12 0.00 7.05 0.14 0.01 0.00 0.00 0.00 92.32 0.48 32 F E E 25.56 19.67 15.30 34.92 128.39 -171.08 -126.37 144.73 0.53 99.46 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.46 0.02 33 T E E 65.19 7.84 23.84 32.25 120.34 -151.44 -109.71 131.04 0.72 99.28 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.29 0.02 34 F E E 13.01 23.14 13.66 36.84 122.85 -163.91 -116.88 136.86 4.63 95.36 0.01 4.43 0.14 0.01 0.00 0.00 0.00 95.30 0.12 35 D E E 80.62 5.36 23.49 29.26 98.99 -158.65 -83.74 -27.69 21.20 78.73 0.07 12.00 8.29 0.48 0.00 0.06 0.00 79.07 0.10 36 K E E 74.99 9.73 23.77 33.82 131.30 18.86 -138.11 141.57 14.98 84.95 0.08 10.91 3.20 0.26 0.01 0.05 0.00 85.48 0.09 37 V E E 6.99 24.35 18.61 43.15 122.68 -161.26 -117.13 131.62 2.15 97.83 0.01 2.10 0.09 0.01 0.00 0.00 0.00 97.74 0.06 38 L E E 15.44 17.50 24.88 42.47 119.66 -156.00 -108.39 131.45 0.50 99.50 0.00 0.44 0.03 0.00 0.00 0.00 0.00 99.51 0.01 39 F E E 29.18 18.46 23.41 41.54 119.19 -159.97 -107.33 130.03 0.54 99.46 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.49 0.01 40 V E E 19.60 17.47 19.82 37.60 122.83 -169.18 -119.24 131.80 4.70 95.28 0.02 3.89 0.47 0.05 0.00 0.01 0.00 95.41 0.17 41 G E E 21.32 12.74 17.72 30.78 135.34 159.26 -151.27 168.92 47.50 52.32 0.18 33.66 11.10 1.90 0.02 0.18 0.00 52.65 0.49 42 G C S 38.72 6.20 16.83 23.99 124.23 59.51 108.28 -152.17 90.77 8.16 1.07 20.96 44.75 25.05 0.08 1.19 0.00 7.25 0.73 43 D C S 126.65 1.31 15.77 16.78 97.90 -29.10 -85.62 -8.58 97.16 1.20 1.65 16.07 45.28 35.80 0.17 1.58 0.00 0.79 0.31 44 S C C 69.98 3.90 16.63 21.50 126.02 25.63 -128.00 148.52 85.67 13.09 1.24 38.47 27.07 19.99 0.17 1.20 0.00 12.34 0.76 45 V E E 52.96 16.54 11.88 28.00 118.98 -137.98 -105.69 130.71 38.43 61.30 0.26 34.37 2.52 0.46 0.08 0.15 0.00 61.68 0.75 46 K E E 101.11 7.32 19.91 28.38 122.40 -168.54 -119.30 133.16 8.80 91.03 0.17 7.89 0.70 0.14 0.12 0.07 0.00 89.19 1.89 47 V E E 65.02 13.73 14.66 28.61 121.23 -160.54 -112.05 131.22 16.39 83.32 0.29 13.13 2.44 0.73 0.15 0.17 0.00 82.11 1.27 48 G C S 34.65 6.77 18.82 25.96 129.68 33.52 109.55 -166.67 77.13 22.68 0.19 28.38 43.35 4.70 0.03 0.18 0.00 22.68 0.68 49 A C S 65.72 5.55 19.13 25.47 116.39 -33.41 -87.03 138.06 91.38 8.42 0.19 30.99 57.56 2.90 0.02 0.19 0.00 7.55 0.77 50 P C S 53.03 15.22 15.17 29.92 103.96 -112.18 -69.92 75.50 90.19 9.17 0.64 39.93 41.86 8.47 0.07 0.69 0.00 8.06 0.91 51 T C C 62.41 10.29 20.79 31.12 117.25 56.59 -107.66 129.20 54.18 44.84 0.98 38.43 11.58 4.33 0.28 0.86 0.01 33.66 10.86 52 V C C 18.47 22.17 12.87 34.44 114.78 -160.97 -109.78 113.86 52.13 47.23 0.64 44.19 5.50 1.17 0.22 0.54 0.00 40.48 7.91 53 E C T 135.00 3.05 20.55 24.53 112.87 -136.87 -77.19 133.53 65.91 33.35 0.74 14.13 16.81 36.92 0.09 0.65 0.00 29.86 1.53 54 G C T 48.90 3.55 20.44 24.22 97.11 14.98 83.31 -1.78 79.73 19.92 0.36 10.49 28.69 39.44 0.02 0.39 0.00 20.53 0.43 55 A C C 13.56 21.52 11.77 32.66 120.08 145.91 -83.62 145.36 72.62 27.30 0.08 67.27 3.14 0.25 0.01 0.07 0.00 28.89 0.36 56 T E E 60.67 7.45 25.83 33.76 122.89 -157.17 -117.40 135.33 3.95 96.04 0.01 3.77 0.19 0.01 0.00 0.00 0.00 95.82 0.21 57 V E E 5.38 25.66 16.05 42.25 124.09 -167.91 -121.33 134.14 0.36 99.64 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 58 T E E 45.20 8.46 27.22 36.48 121.62 -166.71 -116.36 133.64 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 59 A E E 4.48 25.53 15.77 41.58 128.76 -170.98 -125.39 146.05 0.41 99.59 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.00 60 T E E 52.58 6.96 26.93 34.66 121.70 -159.45 -117.77 132.20 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 61 V E E 19.29 22.02 13.83 35.93 110.81 -126.63 -82.87 121.71 1.02 98.98 0.00 1.00 0.02 0.00 0.00 0.00 0.00 98.93 0.04 62 N E E 78.09 5.32 20.90 26.91 100.34 175.90 -93.25 -32.52 14.74 85.20 0.06 9.89 4.01 0.31 0.01 0.04 0.00 85.65 0.11 63 K E E 102.32 4.51 21.85 26.99 137.09 2.13 -148.62 150.64 17.92 82.00 0.08 9.58 7.64 0.60 0.01 0.06 0.00 81.87 0.23 64 Q E E 86.43 14.87 14.55 28.84 121.73 -145.79 -108.75 135.38 27.28 72.54 0.17 22.35 4.10 0.62 0.03 0.14 0.00 72.35 0.42 65 G E E 22.24 9.64 18.01 28.50 137.99 150.72 -147.34 175.13 28.49 71.32 0.19 24.14 3.22 0.52 0.06 0.13 0.00 70.57 1.37 66 R E E 147.05 5.30 17.59 24.54 120.11 -96.16 -104.78 140.26 23.87 75.91 0.23 19.77 3.72 0.54 0.09 0.15 0.00 72.76 2.97 67 G E E 22.57 13.79 12.43 26.28 127.43 -156.16 -103.18 171.56 42.40 57.19 0.41 31.31 9.98 1.23 0.11 0.29 0.00 56.21 0.87 68 K E E 124.72 4.71 18.85 24.33 117.02 -91.82 -88.73 144.39 42.42 56.65 0.92 33.19 7.75 1.08 0.33 0.51 0.00 56.49 0.67 69 K E E 103.33 9.43 15.55 25.79 115.93 -109.48 -81.06 138.21 28.67 70.19 1.14 25.13 2.81 0.63 0.63 0.51 0.00 69.48 0.80 70 I E E 43.51 13.74 14.01 28.88 119.97 -152.95 -109.38 132.38 9.80 89.23 0.97 9.12 0.61 0.20 0.71 0.30 0.00 88.47 0.58 71 T E E 51.27 8.20 18.09 27.92 117.68 -151.70 -105.18 129.73 6.11 93.25 0.65 5.61 0.37 0.12 0.43 0.16 0.00 93.07 0.23 72 V E E 38.48 12.64 14.79 28.97 119.68 -163.52 -111.92 130.30 7.19 92.04 0.76 6.31 0.56 0.18 0.45 0.19 0.00 92.11 0.20 73 F E E 72.22 8.76 15.89 26.51 122.60 -166.08 -115.24 136.63 10.51 88.25 1.24 9.17 0.92 0.34 0.73 0.36 0.00 88.08 0.40 74 T E E 52.89 8.63 14.86 25.20 121.51 -159.37 -113.79 136.64 25.22 72.46 2.32 21.29 2.88 1.00 1.34 0.85 0.00 71.97 0.66 75 Y E E 95.78 8.00 11.37 21.25 117.57 -149.99 -103.67 134.94 46.34 48.69 4.97 35.90 8.06 2.56 3.08 2.07 0.01 46.70 1.62 76 K C C 112.17 4.21 10.86 16.78 114.52 -145.76 -92.67 135.14 65.27 22.00 12.74 42.11 15.85 7.77 6.19 6.23 0.04 19.81 2.01 77 R C T 168.70 2.29 9.56 13.23 100.16 -113.55 -68.87 -23.02 68.94 7.04 24.02 23.42 22.60 24.57 8.98 13.63 0.11 5.14 1.54 78 R C T 182.57 1.01 9.26 10.64 103.34 44.75 -85.90 12.79 69.91 5.48 24.61 23.16 20.82 27.40 7.67 15.65 0.06 3.65 1.59 79 K C T 146.02 1.97 9.01 12.20 107.20 28.05 -89.89 63.87 78.24 3.73 18.03 14.91 18.98 45.19 4.15 13.11 0.03 2.49 1.15 80 N C T 118.08 2.45 10.23 14.03 101.48 -52.65 -62.38 51.35 85.54 6.53 7.94 20.56 18.24 47.11 1.45 6.29 0.01 5.41 0.93 81 S C C 55.94 6.84 8.73 17.24 118.00 155.12 -94.69 142.87 63.84 32.64 3.52 48.33 9.85 5.26 0.90 2.91 0.01 30.18 2.55 82 K E E 123.10 4.51 11.79 18.14 119.77 -156.14 -109.12 136.36 47.08 51.39 1.53 38.36 5.79 2.52 0.42 1.10 0.00 50.04 1.77 83 R E E 133.21 6.75 11.70 20.23 120.18 -151.45 -104.72 135.33 37.93 61.28 0.79 31.99 4.46 1.36 0.22 0.55 0.00 60.46 0.96 84 K E E 105.59 8.30 12.82 22.47 122.00 -163.65 -110.86 136.22 31.48 67.97 0.55 25.98 4.04 1.11 0.13 0.38 0.00 67.76 0.60 85 K E E 125.45 5.59 14.87 22.35 121.85 -158.62 -111.02 138.18 25.42 74.24 0.34 19.67 4.24 0.84 0.07 0.23 0.00 74.39 0.54 86 G E E 26.17 11.00 13.05 24.77 133.25 150.32 -148.61 174.05 17.90 81.89 0.21 14.44 2.87 0.38 0.06 0.14 0.00 81.59 0.52 87 H E E 102.53 7.27 16.94 25.39 123.95 -103.25 -115.99 142.39 13.76 86.12 0.11 12.53 0.95 0.14 0.04 0.07 0.00 84.29 1.98 88 R E E 105.82 12.11 14.39 26.89 118.85 -138.27 -98.37 137.23 35.92 64.00 0.08 32.50 2.79 0.22 0.02 0.07 0.00 62.22 2.18 89 Q C C 71.02 11.06 16.27 28.14 116.82 -131.69 -95.04 136.94 70.33 29.65 0.02 65.68 3.64 0.12 0.00 0.02 0.00 30.13 0.41 90 P C C 60.82 10.46 17.64 28.70 107.85 -117.54 -69.15 137.94 67.88 32.07 0.05 57.64 7.50 0.37 0.00 0.06 0.00 34.10 0.32 91 Y E E 70.86 13.21 17.78 31.30 133.99 54.06 -135.61 153.33 14.63 85.32 0.04 12.79 1.51 0.14 0.01 0.03 0.00 84.95 0.57 92 T E E 25.48 16.60 17.48 34.59 125.87 -148.75 -118.35 142.04 4.22 95.77 0.01 3.90 0.17 0.01 0.00 0.00 0.00 95.79 0.12 93 K E E 80.38 10.81 22.45 33.54 122.99 -155.24 -114.30 136.00 2.50 97.50 0.00 2.12 0.18 0.01 0.00 0.00 0.00 97.66 0.03 94 L E E 19.61 21.13 16.69 37.87 119.70 -155.17 -108.38 130.09 1.61 98.39 0.00 1.46 0.04 0.00 0.00 0.00 0.00 98.48 0.01 95 T E E 48.18 8.13 23.41 32.29 119.13 -160.81 -110.84 129.18 0.96 99.03 0.00 0.92 0.02 0.00 0.00 0.00 0.00 99.01 0.05 96 I E E 27.25 19.29 12.12 31.53 114.43 -145.67 -99.16 122.55 4.28 95.69 0.03 4.06 0.13 0.02 0.01 0.02 0.00 95.51 0.25 97 D E E 87.38 4.32 17.67 22.84 103.71 -170.93 -93.15 -29.31 39.91 59.44 0.66 22.96 14.06 3.19 0.09 0.56 0.00 58.76 0.37 98 K C C 130.55 3.10 17.28 21.10 127.33 1.71 -137.01 147.25 57.79 40.91 1.30 43.32 7.93 4.84 0.17 1.16 0.00 41.58 0.99 99 I C C 66.55 15.51 12.11 26.90 113.40 -128.94 -90.28 124.28 98.81 1.15 0.04 98.91 0.10 0.04 0.01 0.01 0.00 0.90 0.04