# 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 100.78 3.86 20.24 24.27 103.96 -136.21 -86.03 61.54 99.82 0.17 0.00 99.75 0.10 0.02 0.00 0.00 0.00 0.12 0.00 1 I C C 39.01 20.00 10.82 29.58 118.78 147.40 -101.48 130.47 58.91 40.97 0.11 57.92 0.53 0.17 0.02 0.05 0.00 40.50 0.80 2 Q E E 99.10 5.04 21.03 27.07 123.03 -169.25 -119.83 137.21 22.31 77.50 0.19 20.38 1.48 0.31 0.07 0.12 0.00 76.55 1.08 3 M E E 48.66 20.01 12.96 31.94 122.85 -158.97 -113.45 134.54 17.37 82.47 0.16 16.00 1.04 0.20 0.06 0.10 0.00 81.37 1.23 4 T E E 65.05 7.62 20.62 28.97 125.68 -171.80 -123.29 142.42 24.31 75.48 0.20 21.39 2.24 0.37 0.07 0.15 0.00 73.84 1.95 5 Q C E 75.67 13.88 15.80 29.55 125.48 -159.77 -122.44 139.82 54.22 45.58 0.20 40.90 12.68 0.90 0.04 0.19 0.00 43.78 1.51 6 S C C 54.60 9.91 17.34 27.89 121.40 -140.97 -104.31 145.99 84.76 15.16 0.08 60.31 23.47 0.71 0.01 0.09 0.00 14.72 0.69 7 P C C 54.90 10.60 16.37 27.55 115.15 -0.83 -71.42 151.28 91.25 8.48 0.28 71.42 16.67 2.36 0.03 0.33 0.00 8.70 0.50 8 S C S 65.80 8.80 16.95 26.52 98.37 -149.63 -86.35 -22.49 81.52 18.31 0.17 30.53 47.94 1.97 0.01 0.18 0.00 18.86 0.50 9 S E E 55.85 7.17 20.13 28.44 137.00 12.87 -148.00 150.82 17.76 82.12 0.12 14.29 3.05 0.35 0.01 0.11 0.00 81.81 0.38 10 L E E 33.82 19.23 15.13 33.83 132.14 -174.83 -139.09 145.41 2.48 97.52 0.01 2.24 0.14 0.01 0.00 0.00 0.00 97.50 0.11 11 S E E 61.82 7.30 23.19 31.54 125.24 -157.21 -117.44 140.86 1.87 98.12 0.00 1.73 0.09 0.01 0.00 0.00 0.00 98.09 0.08 12 A E E 12.03 19.49 14.85 34.48 138.35 168.67 -146.92 161.60 10.33 89.66 0.02 9.60 0.36 0.02 0.00 0.01 0.00 89.77 0.23 13 F E E 103.78 5.13 23.59 28.75 122.55 -117.04 -93.28 151.06 26.32 73.54 0.13 23.60 1.93 0.26 0.06 0.10 0.00 68.32 5.74 14 V C T 60.88 14.95 14.03 28.99 109.37 -84.78 -59.37 134.58 98.54 1.06 0.41 0.30 2.47 96.27 0.02 0.25 0.00 0.57 0.11 15 G C T 44.83 4.37 19.95 25.05 95.91 23.11 89.22 -6.28 99.51 0.25 0.25 0.47 3.33 95.81 0.01 0.20 0.00 0.16 0.03 16 D C C 56.68 9.56 16.69 27.47 121.26 123.87 -78.06 152.97 96.96 2.91 0.13 65.65 31.10 0.48 0.02 0.12 0.00 2.24 0.39 17 R C C 130.79 7.66 19.45 28.44 121.56 -128.63 -104.63 136.39 73.68 26.32 0.01 74.57 0.38 0.02 0.00 0.00 0.00 24.48 0.54 18 V E E 12.81 21.92 14.65 36.53 129.38 -173.31 -129.93 144.50 0.91 99.09 0.00 0.94 0.01 0.00 0.00 0.00 0.00 98.96 0.10 19 T E E 64.21 7.76 24.82 33.09 118.04 -144.42 -107.19 128.90 0.36 99.64 0.00 0.36 0.00 0.00 0.00 0.00 0.00 99.63 0.01 20 I E E 5.23 25.51 16.48 42.73 120.33 -166.42 -113.56 128.56 1.31 98.69 0.00 1.24 0.03 0.00 0.00 0.00 0.00 98.72 0.01 21 A E E 34.30 9.52 26.82 37.06 121.88 -164.21 -111.21 137.29 7.04 92.96 0.00 6.54 0.13 0.00 0.00 0.00 0.00 93.28 0.04 22 C E E 4.31 25.64 16.80 42.87 128.81 -171.72 -129.98 142.54 7.32 92.67 0.01 6.67 0.28 0.01 0.00 0.00 0.00 92.94 0.09 23 Q E E 77.73 8.03 27.53 36.41 122.71 -162.31 -119.32 133.63 4.37 95.61 0.02 4.05 0.23 0.02 0.01 0.01 0.00 95.10 0.58 24 A E E 9.20 23.84 14.48 37.97 125.62 -168.63 -115.16 146.22 34.38 65.38 0.23 32.74 1.44 0.23 0.08 0.13 0.00 63.56 1.81 25 S C C 41.34 8.67 19.77 29.12 118.89 -125.70 -87.37 161.47 72.66 26.32 1.02 57.54 12.10 2.51 0.21 0.88 0.00 24.92 1.84 26 Q C S 117.71 5.66 16.88 23.48 98.86 -92.36 -73.97 -18.48 90.85 4.64 4.51 12.64 40.14 38.79 0.65 3.49 0.00 3.41 0.88 27 D C T 94.37 4.18 18.69 23.27 103.82 56.96 -87.98 48.39 93.80 2.77 3.43 33.51 24.41 36.02 0.48 3.06 0.00 1.91 0.62 28 I C C 38.83 19.21 11.86 29.98 111.09 -147.43 -85.42 118.19 89.19 6.29 4.52 59.94 18.56 10.40 1.04 3.75 0.00 4.11 2.19 29 R C C 126.42 7.18 21.03 28.51 105.07 112.12 -89.79 4.95 91.50 6.53 1.97 62.21 20.44 8.68 0.33 1.85 0.00 5.46 1.03 30 I C S 60.05 13.57 19.12 32.34 105.81 80.12 -101.79 -5.04 84.69 14.31 1.00 37.36 43.61 3.91 0.14 0.81 0.00 13.25 0.91 31 H E E 60.42 12.29 23.17 35.48 124.88 48.42 -124.03 140.43 40.22 59.24 0.55 34.64 4.10 0.86 0.10 0.42 0.00 58.98 0.90 32 L E E 4.95 25.55 18.17 44.11 124.00 -162.34 -117.41 135.74 9.68 90.27 0.05 8.98 0.61 0.06 0.01 0.02 0.00 89.97 0.34 33 N E E 31.30 14.11 27.60 42.01 126.33 -168.28 -121.42 144.64 2.42 97.57 0.01 2.20 0.11 0.01 0.00 0.00 0.00 97.64 0.04 34 W E E 9.04 24.61 21.00 45.67 126.10 -155.78 -115.13 141.06 1.06 98.94 0.00 0.98 0.04 0.00 0.00 0.00 0.00 98.96 0.01 35 Y E E 27.34 15.77 24.14 40.18 132.35 -175.22 -132.53 151.42 0.51 99.48 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.50 0.02 36 Q E E 36.98 15.51 21.01 36.71 123.44 -147.89 -116.19 137.52 1.98 98.01 0.00 1.64 0.15 0.01 0.00 0.00 0.00 98.14 0.06 37 Q E E 49.49 13.78 16.08 30.57 120.57 -152.14 -107.42 135.48 27.00 72.98 0.02 24.48 1.58 0.06 0.00 0.01 0.00 72.98 0.89 38 K C C 95.84 6.42 15.78 23.49 119.17 -138.69 -88.98 146.02 97.32 2.65 0.03 95.46 1.97 0.18 0.01 0.02 0.00 1.97 0.39 39 P C T 99.88 4.56 11.52 18.11 109.54 -85.40 -58.55 133.98 99.66 0.10 0.25 0.30 3.26 96.12 0.01 0.23 0.00 0.06 0.02 40 G C T 68.63 0.33 13.18 11.05 95.84 17.95 83.03 -3.53 99.67 0.08 0.25 0.40 3.25 96.03 0.00 0.26 0.00 0.05 0.01 41 K C S 110.52 4.19 11.07 17.37 129.30 91.51 -115.95 158.87 92.52 7.16 0.32 35.41 56.08 1.24 0.07 0.25 0.00 2.53 4.42 42 A C C 72.93 2.80 16.69 19.93 116.90 -96.17 -69.72 151.00 96.78 3.20 0.02 87.31 9.58 0.13 0.00 0.02 0.00 2.60 0.36 43 P C C 43.57 18.16 10.89 28.23 114.90 -100.76 -65.84 144.51 91.94 8.05 0.01 90.72 1.40 0.07 0.00 0.01 0.00 7.57 0.24 44 K E E 103.00 6.37 21.04 28.33 123.63 -160.27 -120.82 138.32 6.86 93.12 0.02 6.12 0.51 0.03 0.00 0.01 0.00 92.84 0.48 45 L E E 68.86 15.01 17.13 31.83 110.70 -116.49 -74.64 126.79 0.73 99.27 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.27 0.03 46 L E E 29.82 16.98 19.60 36.64 101.40 176.03 -95.94 -33.31 2.71 97.28 0.00 1.96 0.62 0.02 0.00 0.00 0.00 97.38 0.02 47 I E E 29.45 16.93 20.78 37.73 135.17 8.62 -145.59 142.42 1.01 98.98 0.00 0.82 0.08 0.00 0.00 0.00 0.00 99.06 0.03 48 Y E E 59.33 18.20 19.03 36.31 127.80 -173.09 -132.69 134.56 6.22 93.74 0.04 5.54 0.38 0.04 0.01 0.01 0.00 93.83 0.20 49 D E E 44.47 10.21 22.60 33.37 113.27 -156.17 -114.11 109.14 37.56 61.86 0.58 32.81 3.91 0.60 0.18 0.37 0.00 60.95 1.17 50 A H G 26.41 19.49 13.87 32.78 93.83 -163.38 -67.57 -19.74 37.52 3.65 58.84 11.71 7.38 20.01 4.20 53.26 0.01 2.80 0.62 51 S H G 77.94 3.56 19.10 23.42 92.26 67.52 -72.61 -17.88 41.08 1.08 57.83 4.38 6.41 29.69 4.27 54.16 0.01 0.70 0.38 52 N H G 94.85 5.56 17.79 24.11 99.89 43.41 -103.54 5.43 38.99 1.63 59.39 9.08 8.34 22.99 4.68 53.37 0.01 1.00 0.54 53 L C C 37.76 20.14 9.59 28.04 118.19 102.89 -85.55 139.09 82.24 6.12 11.65 59.07 17.04 5.75 6.25 5.38 0.01 2.77 3.74 54 E C C 117.86 4.53 17.73 23.35 117.00 -144.97 -93.23 137.39 84.29 8.66 7.05 66.57 9.35 7.46 3.70 3.31 0.00 4.32 5.29 55 A C T 76.94 6.21 13.93 21.80 110.53 -102.57 -68.89 135.87 90.13 5.53 4.33 14.82 16.92 58.43 1.75 2.39 0.01 3.41 2.27 56 G C T 55.41 2.87 17.23 20.80 98.54 21.27 85.83 -3.06 96.64 1.86 1.50 14.84 24.19 57.71 0.27 1.21 0.00 1.33 0.46 57 V C C 42.95 14.95 11.41 26.71 118.57 108.26 -99.58 132.59 90.95 8.53 0.52 48.12 42.08 1.43 0.19 0.31 0.00 3.61 4.25 58 P C C 66.70 7.67 17.57 26.22 110.08 -107.36 -66.60 145.95 91.57 5.57 2.86 68.59 13.93 8.68 0.56 2.68 0.00 3.88 1.68 59 S C C 55.26 13.44 15.23 28.18 102.51 -136.34 -81.64 5.89 87.38 7.52 5.10 52.76 20.95 13.62 0.63 5.13 0.00 5.68 1.22 60 R C C 115.59 8.53 20.71 29.49 109.95 82.67 -103.99 71.54 71.31 23.84 4.85 43.05 20.68 8.01 0.73 4.11 0.00 21.89 1.53 61 F E E 30.30 22.31 13.19 34.65 123.78 126.15 -111.70 138.90 26.26 73.11 0.63 22.48 3.53 0.70 0.23 0.40 0.00 71.12 1.54 62 S E E 56.72 6.27 23.87 31.41 134.57 -176.54 -137.58 154.33 8.86 91.03 0.11 7.92 0.82 0.13 0.04 0.05 0.00 90.47 0.56 63 G E E 22.77 18.22 15.17 32.25 141.07 163.40 -159.36 167.95 6.58 93.37 0.05 5.63 0.71 0.10 0.01 0.03 0.00 93.20 0.32 64 S E E 65.38 4.74 21.70 28.12 135.96 -168.40 -147.61 156.60 10.38 89.57 0.05 9.01 1.05 0.14 0.01 0.03 0.00 89.33 0.43 65 G E E 30.47 10.37 15.94 27.21 139.49 114.68 137.58 164.34 28.01 71.87 0.12 20.28 7.50 0.97 0.02 0.13 0.00 70.31 0.79 66 S C C 75.64 3.43 20.98 24.94 119.24 -93.72 -120.37 133.08 58.63 40.99 0.38 43.84 12.32 2.72 0.07 0.41 0.00 38.23 2.41 67 G C S 32.25 10.83 19.15 29.87 108.31 -49.61 65.64 -123.76 98.42 0.94 0.63 2.11 55.93 40.56 0.02 0.60 0.00 0.66 0.12 68 T C S 53.23 14.77 16.78 31.43 97.80 -9.24 -97.97 -3.17 98.47 1.01 0.53 1.97 55.55 41.13 0.02 0.49 0.00 0.75 0.10 69 D E E 59.79 9.10 22.60 32.82 120.12 82.90 -108.41 130.90 36.62 63.15 0.23 24.67 11.74 1.51 0.03 0.28 0.00 59.98 1.79 70 F E E 6.93 24.81 16.07 41.41 128.10 -174.68 -126.41 142.23 12.25 87.74 0.00 11.80 0.27 0.01 0.00 0.00 0.00 87.68 0.24 71 T E E 35.88 10.14 27.19 38.41 122.21 -160.16 -118.04 132.80 2.19 97.81 0.00 1.90 0.06 0.00 0.00 0.00 0.00 98.02 0.02 72 F E E 4.20 25.95 18.68 45.41 121.85 -168.37 -116.29 131.59 0.16 99.84 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 73 T E E 41.04 9.89 27.27 38.01 119.74 -162.78 -114.86 128.49 0.09 99.91 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 74 I E E 6.86 24.32 16.35 41.31 117.08 -165.68 -113.15 125.10 2.46 97.54 0.00 2.53 0.03 0.00 0.00 0.00 0.00 97.16 0.28 75 S C C 48.91 7.01 23.30 30.48 120.30 -163.57 -104.92 149.90 94.12 5.83 0.05 50.78 39.38 2.92 0.00 0.09 0.00 6.63 0.20 76 S C S 64.95 4.68 24.34 29.08 102.27 10.75 64.73 69.33 99.24 0.74 0.02 10.03 86.08 3.19 0.00 0.03 0.00 0.61 0.07 77 L C C 17.87 23.95 10.65 34.17 112.97 -141.14 -75.30 131.75 99.46 0.53 0.01 97.93 1.59 0.02 0.00 0.00 0.00 0.17 0.28 78 Q C C 79.51 4.73 23.97 28.59 131.43 -174.62 -126.38 157.42 99.89 0.10 0.01 99.46 0.44 0.00 0.00 0.00 0.00 0.02 0.07 79 P H G 73.11 11.96 15.51 27.83 90.89 -105.25 -58.33 -32.30 3.25 0.01 96.74 0.16 0.20 2.08 0.23 97.33 0.00 0.01 0.00 80 E H G 125.11 3.86 21.34 25.99 89.78 63.04 -69.78 -16.34 2.75 0.02 97.22 0.08 0.15 1.87 0.14 97.73 0.00 0.02 0.00 81 D H G 11.53 21.38 15.85 37.82 93.45 61.38 -87.29 -2.92 3.74 0.05 96.21 0.44 0.36 1.71 0.21 97.24 0.00 0.04 0.00 82 I C C 40.92 16.86 20.32 37.35 115.37 103.63 -76.97 133.06 85.06 14.83 0.11 82.00 3.20 0.07 0.02 0.08 0.00 14.24 0.38 83 A E E 14.74 15.83 22.95 38.76 145.10 142.72 -165.36 174.68 4.77 95.22 0.00 4.50 0.20 0.01 0.00 0.00 0.00 95.07 0.23 84 T E E 37.08 12.99 25.40 38.75 120.04 -89.19 -104.77 135.73 0.58 99.42 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.45 0.01 85 Y E E 7.14 25.25 19.45 44.94 124.77 -165.95 -117.35 139.02 0.31 99.69 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.01 86 Y E E 34.04 15.41 27.25 42.76 129.56 -169.45 -124.23 145.96 0.93 99.07 0.00 0.80 0.05 0.00 0.00 0.00 0.00 99.12 0.03 87 C E E 2.78 25.47 20.84 46.73 123.52 -158.45 -116.36 137.94 4.31 95.65 0.04 3.77 0.31 0.03 0.01 0.02 0.00 95.71 0.13 88 Q E E 32.22 14.40 25.81 40.33 126.46 -169.48 -120.02 140.83 3.99 95.92 0.09 3.55 0.23 0.04 0.03 0.04 0.00 95.89 0.21 89 H E E 28.64 18.84 18.90 37.53 121.74 -155.00 -112.22 137.43 12.18 87.57 0.25 10.08 1.72 0.34 0.06 0.16 0.00 87.14 0.50 90 Y E E 71.21 11.35 17.91 30.27 118.37 -161.04 -111.24 128.67 39.05 60.52 0.43 32.03 5.55 1.22 0.08 0.38 0.00 59.29 1.46 91 H C S 90.73 9.16 13.74 23.88 115.96 174.73 -111.63 136.55 78.17 20.54 1.29 23.05 28.41 27.15 0.11 1.32 0.00 18.73 1.22 92 N C S 129.64 1.72 15.65 17.49 98.63 -28.44 20.24 20.04 96.46 2.43 1.10 15.66 43.45 37.37 0.07 1.24 0.00 1.82 0.40 93 L C S 77.54 7.51 11.24 20.45 125.49 72.37 -114.69 143.10 92.19 6.88 0.94 19.82 61.07 11.38 0.10 0.95 0.00 5.50 1.18 94 P C C 83.65 4.31 16.84 21.90 114.68 -82.53 -67.51 148.83 80.83 18.50 0.66 48.30 24.98 6.81 0.07 0.69 0.00 18.39 0.74 95 R C E 98.91 14.27 13.79 27.74 114.95 -108.51 -78.67 136.81 53.17 46.40 0.43 45.13 5.00 1.42 0.07 0.38 0.00 47.26 0.75 96 T E E 46.83 11.94 19.06 31.61 126.79 -168.35 -123.39 141.31 14.10 85.75 0.16 12.25 1.29 0.28 0.05 0.10 0.00 82.80 3.22 97 F E E 69.68 16.77 17.58 33.56 120.40 -147.82 -104.78 135.24 16.50 83.34 0.15 13.22 2.59 0.49 0.05 0.11 0.00 80.34 3.20 98 G C E 20.68 14.92 18.70 32.93 120.78 -146.57 -86.21 -167.22 56.36 43.49 0.16 41.08 12.87 1.75 0.03 0.15 0.00 43.33 0.79 99 G C C 39.77 8.19 22.81 30.70 107.84 -89.69 -77.53 88.23 72.86 27.02 0.12 60.53 9.23 1.01 0.01 0.12 0.00 28.65 0.46 100 G C C 18.80 18.29 16.07 32.98 127.63 -137.70 -76.76 175.03 61.70 38.23 0.07 55.39 3.93 0.31 0.01 0.06 0.00 39.79 0.52 101 T E E 35.76 14.60 20.01 34.81 128.52 -116.37 -123.41 145.49 9.55 90.44 0.01 8.77 0.39 0.02 0.00 0.00 0.00 90.57 0.25 102 K E E 104.81 9.69 22.22 32.31 118.61 -133.54 -99.54 133.76 1.07 98.92 0.00 0.93 0.05 0.00 0.00 0.00 0.00 98.98 0.03 103 V E E 13.09 22.12 14.61 36.63 122.22 -165.81 -117.85 132.83 0.76 99.24 0.00 0.73 0.02 0.00 0.00 0.00 0.00 99.24 0.02 104 E E E 99.08 5.32 23.50 29.18 116.96 -151.46 -103.46 129.06 1.86 98.13 0.00 1.85 0.05 0.00 0.00 0.00 0.00 98.00 0.09 105 I E E 25.79 21.02 10.76 30.96 115.23 -154.43 -98.40 126.63 21.12 78.85 0.04 21.29 0.22 0.04 0.01 0.01 0.00 77.73 0.69 106 K C C 130.16 3.87 19.76 24.38 113.72 -155.49 -95.75 129.73 99.57 0.42 0.00 99.60 0.06 0.02 0.00 0.00 0.00 0.32 0.01