# 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 112.98 5.15 11.39 18.24 116.83 -142.25 -90.11 136.68 99.98 0.02 0.00 99.86 0.12 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 99.21 3.45 10.15 15.47 111.80 -108.93 -71.26 146.43 99.47 0.37 0.16 97.28 0.88 1.40 0.04 0.07 0.00 0.15 0.18 2 K C C 134.60 4.09 9.82 15.96 115.96 -119.55 -89.86 137.08 97.49 2.00 0.51 71.29 23.49 2.69 0.11 0.46 0.00 1.04 0.92 3 P C C 91.33 4.42 11.97 18.05 112.24 -107.52 -71.53 145.27 94.94 3.79 1.27 77.59 13.21 3.93 0.20 1.33 0.00 2.88 0.86 4 I C C 98.47 7.97 11.85 21.05 116.05 -130.10 -96.38 135.10 81.85 16.25 1.90 66.87 10.50 3.74 0.41 1.76 0.00 14.01 2.71 5 V C C 61.01 10.56 14.41 26.03 122.02 -166.64 -112.08 138.91 66.42 32.28 1.30 52.61 10.77 2.57 0.30 1.19 0.00 29.92 2.64 6 R C C 106.29 11.19 18.34 29.63 119.65 -142.02 -103.99 133.65 53.36 45.89 0.74 44.99 6.41 1.29 0.17 0.65 0.00 44.90 1.60 7 L E E 26.07 19.34 17.48 36.47 117.37 -156.10 -99.78 132.44 38.79 60.63 0.58 29.68 7.31 1.57 0.13 0.50 0.00 59.85 0.96 8 F E E 73.30 14.12 21.87 35.43 129.61 -169.97 -126.99 144.48 19.01 80.73 0.25 15.57 2.48 0.76 0.06 0.25 0.00 79.51 1.38 9 Q E E 17.51 20.66 18.78 39.23 131.30 -172.84 -136.69 144.30 14.46 85.51 0.03 12.22 1.93 0.09 0.01 0.02 0.00 85.30 0.42 10 P E E 52.70 9.78 25.38 35.55 115.58 -115.90 -76.68 140.87 12.31 87.67 0.02 10.39 1.12 0.06 0.00 0.01 0.00 88.29 0.13 11 A E E 4.69 24.33 17.12 41.66 138.24 172.42 -144.38 158.63 3.92 96.08 0.00 3.56 0.16 0.01 0.00 0.00 0.00 96.23 0.04 12 V E E 44.04 10.15 26.52 37.77 120.79 -132.02 -114.56 131.48 0.42 99.58 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 13 M E E 18.83 22.83 17.41 40.29 111.35 -127.34 -81.27 125.36 0.43 99.57 0.00 0.40 0.02 0.00 0.00 0.00 0.00 99.55 0.03 14 T E E 47.63 10.02 23.21 33.84 103.29 176.35 -104.15 -19.68 9.30 90.63 0.07 7.00 1.78 0.21 0.01 0.04 0.00 90.78 0.18 15 G E E 17.23 10.02 23.93 34.67 144.79 -22.77 170.84 173.28 35.14 64.66 0.20 19.30 15.42 1.28 0.04 0.13 0.00 63.45 0.36 16 F E E 57.35 18.46 15.14 32.72 128.11 -121.92 -125.60 145.36 48.40 50.43 1.17 42.86 4.29 0.93 0.66 0.56 0.00 46.47 4.22 17 K C C 93.14 7.90 17.34 26.30 116.01 -136.08 -100.02 130.12 71.57 26.72 1.71 55.61 12.11 3.13 0.78 1.08 0.01 21.93 5.35 18 R C C 131.82 7.23 12.88 21.52 114.67 -150.84 -94.81 129.48 80.82 17.09 2.09 39.71 33.41 8.66 0.64 1.59 0.02 12.12 3.85 19 S C C 53.36 5.04 11.87 18.50 125.30 -12.96 -110.93 165.49 83.50 13.06 3.44 45.94 26.31 11.54 0.84 2.94 0.01 7.65 4.76 20 K C T 163.13 1.97 10.34 13.43 94.72 -92.84 -63.89 -31.59 80.72 2.95 16.32 8.32 28.74 42.81 1.12 16.04 0.01 1.53 1.43 21 R C T 192.85 0.63 11.84 11.52 98.42 40.54 -82.35 -19.87 83.07 1.31 15.63 5.52 25.40 51.05 0.83 15.87 0.00 0.70 0.64 22 K C T 130.94 3.60 12.02 16.94 108.69 31.67 -112.82 67.27 73.53 12.55 13.91 23.92 21.24 29.99 1.14 12.72 0.04 7.74 3.21 23 Q C C 75.96 11.98 9.98 22.45 115.82 160.09 -86.20 137.44 70.47 28.73 0.80 59.19 8.85 1.49 0.38 0.51 0.00 13.21 16.38 24 D C C 56.20 8.78 15.37 25.76 112.76 -155.09 -107.72 118.35 90.89 8.96 0.15 88.32 2.74 0.33 0.04 0.09 0.00 6.60 1.87 25 P C T 79.44 7.87 17.02 26.11 94.76 -152.79 -66.58 -18.29 96.34 3.33 0.33 4.64 18.60 73.13 0.02 0.38 0.00 2.95 0.29 26 H C T 94.21 9.67 18.61 28.79 96.30 52.13 -96.50 7.08 91.60 8.19 0.22 5.35 16.63 69.12 0.00 0.28 0.00 8.44 0.18 27 V E E 29.63 14.58 20.06 35.55 124.08 87.26 -114.43 138.43 26.56 73.42 0.01 22.90 2.56 0.08 0.00 0.02 0.00 74.04 0.41 28 A E E 5.86 21.46 20.72 42.31 127.75 -168.83 -122.55 144.88 2.77 97.23 0.00 2.62 0.06 0.00 0.00 0.00 0.00 97.27 0.04 29 I E E 20.11 17.47 25.97 43.22 116.93 -142.93 -103.44 127.49 0.27 99.73 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.76 0.00 30 L E E 3.57 25.32 21.99 47.48 121.01 -164.77 -112.28 129.79 0.30 99.70 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 31 A E E 24.87 13.08 27.03 40.50 118.79 -161.13 -111.29 127.88 0.30 99.70 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 32 I E E 6.02 24.68 18.11 43.30 118.78 -165.82 -112.72 125.88 1.75 98.25 0.00 1.69 0.03 0.00 0.00 0.00 0.00 98.24 0.04 33 K E E 97.60 7.33 24.31 31.98 121.92 -153.77 -98.81 144.83 13.31 86.59 0.10 4.61 4.43 2.89 0.00 0.10 0.00 87.83 0.14 34 N E E 81.57 5.82 23.91 30.73 93.96 14.40 64.76 30.50 43.05 56.86 0.09 9.59 22.41 8.35 0.00 0.12 0.00 59.30 0.23 35 V E E 9.03 23.28 12.02 35.40 112.55 158.46 -85.98 125.77 36.97 62.96 0.07 36.62 0.83 0.06 0.04 0.04 0.00 56.64 5.76 36 A C C 56.16 7.35 21.70 29.65 101.86 169.40 -108.57 -14.39 91.30 8.64 0.06 71.86 19.96 0.26 0.02 0.04 0.00 6.96 0.90 37 T C S 61.57 4.04 22.54 26.41 133.40 40.26 -134.08 159.33 96.40 1.74 1.86 15.96 79.86 0.83 1.85 0.16 0.00 0.45 0.90 38 R H H 118.04 12.20 13.58 26.04 91.63 -114.07 -59.15 -37.45 3.72 0.01 96.27 0.28 0.43 2.78 89.55 6.94 0.01 0.00 0.00 39 K H H 146.21 1.44 20.30 20.71 91.29 55.24 -63.77 -39.15 2.37 0.01 97.62 0.24 0.17 1.80 90.06 7.72 0.00 0.00 0.00 40 H H H 59.97 11.56 17.66 29.89 92.47 48.47 -67.74 -37.92 1.56 0.01 98.43 0.26 0.13 1.04 89.78 8.77 0.00 0.01 0.00 41 T H H 5.11 24.49 13.19 37.62 91.85 52.43 -65.87 -38.90 2.20 0.01 97.80 0.32 0.19 1.48 91.71 6.30 0.00 0.00 0.00 42 D H H 81.29 7.52 21.95 30.05 91.21 56.48 -63.98 -31.53 5.51 0.01 94.48 0.26 0.20 4.76 67.68 27.09 0.00 0.01 0.00 43 F H H 93.89 7.36 23.08 30.90 91.69 56.36 -67.73 -27.58 14.11 0.01 85.88 0.19 0.27 14.60 59.13 25.80 0.01 0.00 0.00 44 Y H H 8.78 23.91 17.19 41.45 96.12 47.62 -93.57 -9.40 30.88 0.04 69.08 0.67 0.86 29.73 44.67 23.98 0.02 0.02 0.04 45 L C T 43.67 17.70 17.72 35.33 111.69 113.84 -63.39 131.42 97.23 0.91 1.87 0.54 1.08 96.37 0.75 0.34 0.00 0.27 0.64 46 G C T 35.03 7.29 22.85 31.12 95.51 21.21 88.22 -5.27 99.43 0.34 0.23 0.52 1.65 97.44 0.03 0.10 0.00 0.23 0.03 47 K C C 59.04 15.38 20.07 35.25 119.73 130.08 -78.95 147.98 96.44 3.56 0.01 92.11 4.05 0.05 0.00 0.00 0.00 3.72 0.08 48 R E E 88.57 13.45 24.06 36.98 120.36 -129.86 -98.45 138.38 2.96 97.04 0.00 3.19 0.06 0.00 0.00 0.00 0.00 95.94 0.80 49 C E E 3.69 24.13 19.98 44.26 136.30 -175.58 -137.92 156.12 0.49 99.51 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.53 0.01 50 V E E 15.52 18.24 25.72 43.87 122.97 -136.69 -115.35 136.11 0.28 99.72 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.74 0.00 51 Y E E 13.28 22.58 23.10 45.08 124.80 -165.50 -118.73 137.82 0.40 99.59 0.01 0.33 0.02 0.00 0.00 0.00 0.00 99.63 0.01 52 L E E 22.90 17.17 24.32 41.35 118.16 -153.54 -107.78 127.33 1.55 98.43 0.01 1.32 0.07 0.01 0.00 0.00 0.00 98.58 0.02 53 Y E E 25.19 19.00 19.69 38.60 128.48 -173.74 -122.51 144.52 5.33 94.63 0.04 4.63 0.41 0.05 0.01 0.01 0.00 94.70 0.18 54 R E E 106.16 9.31 22.39 31.82 117.56 -132.11 -100.05 134.10 28.36 71.13 0.51 22.48 5.20 0.95 0.16 0.31 0.00 70.10 0.80 55 G C C 13.38 17.39 12.43 29.52 120.34 -138.39 -86.48 157.87 57.53 37.07 5.40 43.35 9.92 4.61 1.75 3.38 0.01 35.07 1.90 56 K C C 134.15 4.00 17.26 22.08 99.82 -123.96 -77.83 -22.12 60.66 27.52 11.82 25.44 23.81 13.61 4.18 6.68 0.09 24.10 2.09 57 K C E 125.38 4.19 14.84 20.27 115.71 25.65 -104.50 128.38 52.42 35.17 12.41 25.80 17.40 12.09 4.33 7.10 0.10 30.91 2.27 58 K C E 120.37 7.42 12.69 21.41 110.61 -130.49 -89.77 118.87 47.94 42.18 9.88 36.89 7.37 4.48 4.81 4.90 0.04 39.21 2.30 59 V E E 71.20 7.59 12.56 21.76 119.11 146.94 -106.15 137.12 37.98 56.15 5.87 30.46 5.35 2.24 4.58 2.09 0.03 50.02 5.23 60 A E E 65.11 5.93 12.82 20.20 115.24 -123.48 -84.52 139.68 47.02 47.67 5.30 37.68 6.21 2.75 3.93 1.96 0.03 42.80 4.64 61 G C C 37.56 7.20 10.90 19.34 119.57 -135.57 -103.64 171.25 73.10 22.98 3.92 55.99 10.82 5.56 2.04 1.98 0.01 21.25 2.35 62 R C C 150.86 3.81 10.60 15.95 110.57 -80.19 -87.70 121.68 75.72 16.06 8.22 29.63 20.55 26.98 2.82 5.05 0.03 11.69 3.26 63 K C T 157.91 2.01 10.07 13.48 106.25 -37.15 -65.25 103.09 91.02 1.88 7.10 14.05 19.81 57.29 1.81 5.10 0.00 1.21 0.71 64 G C T 63.90 0.92 11.09 12.01 99.78 -17.64 83.15 0.49 92.62 2.04 5.34 21.82 25.09 45.80 0.85 4.53 0.00 1.27 0.64 65 S C C 57.91 5.04 8.16 15.18 119.78 115.24 -95.98 149.31 82.81 13.58 3.61 48.30 20.29 14.26 0.74 3.31 0.00 10.37 2.74 66 K C C 165.50 1.51 11.52 13.85 99.16 -133.27 -82.44 -0.18 72.74 23.65 3.61 40.29 22.56 10.91 0.76 3.05 0.01 19.73 2.68 67 V C C 88.64 4.39 11.47 17.74 118.50 101.44 -99.27 137.45 64.70 32.61 2.69 43.00 17.65 4.83 0.76 2.15 0.00 28.50 3.10 68 K C C 113.84 7.08 13.31 21.86 115.26 -119.29 -77.89 139.35 58.57 39.33 2.10 49.75 5.65 2.25 0.63 1.60 0.00 36.23 3.88 69 T C C 48.99 12.64 12.12 25.37 118.03 -141.67 -97.38 142.89 59.91 39.00 1.09 49.86 7.31 1.98 0.23 0.93 0.00 38.18 1.51 70 N E E 84.00 7.40 17.61 25.76 110.95 -141.10 -98.10 119.21 42.32 57.11 0.58 31.97 9.50 1.42 0.10 0.50 0.00 55.39 1.11 71 M E E 68.37 13.47 15.68 29.48 122.03 -158.62 -112.47 134.08 22.88 76.95 0.16 19.32 3.26 0.31 0.04 0.11 0.00 76.15 0.81 72 R E E 73.55 13.88 18.07 32.15 122.96 -166.05 -114.36 136.10 11.00 88.95 0.05 9.98 0.77 0.07 0.01 0.03 0.00 88.61 0.53 73 R E E 82.44 13.14 21.03 34.07 121.96 -152.67 -110.77 133.39 8.72 91.26 0.03 7.68 0.84 0.05 0.01 0.01 0.00 91.23 0.19 74 I E E 14.19 21.06 18.92 40.08 122.05 -164.81 -115.95 132.45 4.68 95.31 0.01 4.34 0.20 0.01 0.00 0.01 0.00 95.30 0.13 75 W E E 73.80 12.47 24.28 36.85 123.64 -165.02 -112.81 138.73 4.14 95.85 0.01 3.39 0.59 0.06 0.00 0.01 0.00 95.80 0.15 76 G E E 8.52 17.84 20.26 37.90 143.25 147.43 -159.39 175.55 4.37 95.62 0.01 3.12 0.96 0.06 0.00 0.00 0.00 95.80 0.05 77 R E E 108.37 6.94 25.37 33.25 123.64 -88.74 -110.32 142.56 3.12 96.87 0.01 2.73 0.21 0.01 0.00 0.00 0.00 96.93 0.11 78 I E E 21.85 22.63 13.60 36.56 109.95 -115.16 -74.90 126.10 5.90 94.08 0.01 6.04 0.13 0.01 0.00 0.00 0.00 93.44 0.37 79 T E E 67.17 6.18 21.23 28.37 101.19 176.89 -99.26 -28.58 26.81 73.17 0.02 16.95 9.23 0.33 0.00 0.02 0.00 73.23 0.24 80 R E E 123.68 3.52 22.78 26.74 133.44 2.93 -147.88 148.42 20.93 79.04 0.03 11.35 9.59 0.45 0.00 0.03 0.00 78.22 0.36 81 S E E 50.56 15.33 13.77 28.69 115.57 -111.10 -75.34 137.88 29.73 70.12 0.15 28.43 1.06 0.16 0.04 0.09 0.00 68.00 2.21 82 H E E 76.91 10.20 15.32 26.52 107.83 -160.69 -101.00 82.37 45.24 54.00 0.76 38.35 3.47 0.82 0.47 0.41 0.00 42.26 14.23 83 G C T 43.83 5.93 16.30 23.22 112.70 -130.28 69.30 -142.62 91.50 2.20 6.30 5.16 19.97 65.35 0.28 7.13 0.00 1.52 0.60 84 K C T 156.42 3.24 15.87 19.13 95.33 -27.93 -75.91 -19.28 92.18 0.69 7.13 1.66 13.90 75.67 0.27 7.80 0.00 0.41 0.29 85 A C T 55.05 7.26 17.12 25.17 96.01 53.24 -91.42 -7.28 92.59 0.83 6.58 2.02 11.47 77.97 0.24 7.48 0.00 0.51 0.31 86 G C T 18.58 12.92 16.57 30.49 96.50 -114.79 81.83 10.22 95.14 3.64 1.22 28.34 21.02 45.91 0.14 1.22 0.00 2.84 0.53 87 C E E 29.08 12.79 20.12 33.95 123.39 135.31 -90.13 149.56 48.29 51.66 0.04 44.72 2.89 0.17 0.01 0.04 0.00 50.85 1.33 88 V E E 10.33 22.35 18.40 41.00 122.90 -151.39 -113.88 136.59 3.86 96.14 0.00 3.85 0.12 0.01 0.00 0.00 0.00 94.05 1.98 89 K E E 73.62 10.99 26.58 37.80 119.67 -150.30 -104.51 133.19 4.52 95.48 0.00 4.54 0.08 0.00 0.00 0.00 0.00 95.27 0.11 90 A E E 4.03 25.44 16.42 42.31 129.44 -173.06 -124.72 145.01 4.82 95.18 0.00 4.96 0.06 0.00 0.00 0.00 0.00 94.94 0.05 91 V E E 60.42 8.38 27.17 36.39 120.76 -156.57 -114.89 131.38 1.34 98.66 0.00 1.37 0.03 0.00 0.00 0.00 0.00 98.32 0.27 92 F E E 22.27 23.43 14.03 37.21 118.70 -137.13 -89.62 138.54 7.17 92.83 0.00 7.47 0.11 0.00 0.00 0.00 0.00 90.87 1.55 93 K C C 81.71 9.18 19.61 29.28 115.16 -120.00 -80.56 143.32 90.53 9.45 0.03 89.78 1.05 0.07 0.00 0.02 0.00 8.68 0.40 94 P C T 96.96 6.05 16.99 24.42 93.03 -117.30 -64.63 -24.89 97.40 1.73 0.87 1.95 12.76 82.60 0.02 1.06 0.00 1.39 0.21 95 N C T 112.15 2.95 19.82 23.19 95.40 56.47 -88.17 8.94 98.16 0.79 1.05 5.94 10.75 81.05 0.03 1.45 0.00 0.65 0.12 96 L C C 14.21 23.15 10.26 32.81 116.07 134.11 -73.41 138.31 97.08 2.71 0.21 60.27 36.67 0.22 0.08 0.11 0.00 0.94 1.71 97 P C C 45.72 7.79 20.39 29.43 113.46 -105.63 -65.07 146.47 98.87 0.81 0.32 98.02 0.76 0.27 0.08 0.14 0.00 0.24 0.50 98 G H G 36.76 12.38 15.20 27.91 91.91 -120.84 -59.34 -32.44 32.83 0.26 66.91 4.43 4.40 21.89 3.85 65.20 0.00 0.15 0.08 99 E H G 134.02 2.98 21.34 24.87 90.25 64.52 -68.16 -17.67 29.62 0.19 70.18 2.13 3.03 22.51 4.61 67.54 0.00 0.12 0.06 100 S H G 10.73 20.31 14.93 35.48 93.77 61.06 -84.60 -10.86 24.82 0.28 74.90 4.39 3.45 15.22 5.08 71.62 0.00 0.17 0.08 101 I C T 50.48 17.91 15.58 33.07 111.98 106.83 -67.47 130.95 85.75 0.91 13.34 2.27 4.38 79.80 3.92 8.28 0.02 0.40 0.93 102 G C T 40.81 6.26 21.72 28.88 95.32 21.11 86.18 -3.43 96.15 0.41 3.45 3.31 5.07 88.00 0.54 2.69 0.00 0.26 0.13 103 R C C 83.94 12.29 18.28 30.95 120.88 126.63 -81.84 150.07 95.19 4.56 0.25 78.83 15.67 0.76 0.05 0.21 0.00 3.89 0.59 104 K E E 101.44 9.18 22.35 31.87 117.26 -120.20 -89.95 136.21 29.74 70.17 0.09 28.32 1.46 0.14 0.03 0.06 0.00 66.93 3.06 105 V E E 10.81 24.07 15.05 39.11 125.62 -167.09 -120.49 138.98 7.49 92.50 0.01 7.18 0.22 0.01 0.00 0.00 0.00 92.38 0.21 106 R E E 95.54 8.41 25.12 33.98 119.22 -144.58 -108.12 132.95 2.66 97.34 0.00 2.56 0.05 0.00 0.00 0.00 0.00 97.34 0.05 107 I E E 22.13 22.76 16.04 38.63 121.84 -163.49 -113.94 131.10 3.41 96.58 0.00 3.34 0.05 0.00 0.00 0.00 0.00 96.53 0.07 108 Y E E 86.86 8.45 22.80 31.97 124.11 -170.30 -119.35 138.22 7.90 92.09 0.01 7.33 0.23 0.01 0.00 0.00 0.00 92.23 0.19 109 L E E 60.62 15.04 15.78 30.84 115.99 -139.02 -90.44 131.92 21.33 78.63 0.03 18.95 1.59 0.11 0.01 0.02 0.00 78.72 0.60 110 F C C 87.30 9.47 14.67 25.42 119.61 -150.25 -105.60 137.06 58.07 41.86 0.08 51.59 5.05 0.24 0.01 0.07 0.00 42.35 0.68 111 P C C 77.15 6.44 13.33 21.18 111.80 -106.55 -68.75 147.19 68.17 28.86 2.97 48.30 12.16 7.53 0.35 3.10 0.00 27.24 1.31 112 S C C 75.37 5.42 9.80 16.96 105.36 -130.11 -83.98 40.70 85.96 9.42 4.62 40.07 27.26 18.80 0.45 4.77 0.00 7.34 1.32 113 S C C 88.56 1.93 10.27 13.44 107.45 80.84 -91.18 53.63 87.49 8.45 4.06 70.02 5.91 11.10 0.66 3.71 0.00 6.67 1.93 114 I C C 107.91 5.76 9.83 17.21 108.61 118.26 -90.80 99.48 99.81 0.18 0.01 99.80 0.06 0.02 0.00 0.00 0.00 0.09 0.01