# 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 96.78 4.68 19.03 24.34 107.15 -156.72 -90.43 79.45 99.82 0.17 0.00 99.72 0.12 0.02 0.00 0.00 0.00 0.13 0.00 1 V C C 46.16 16.52 12.03 28.10 118.49 -155.80 -104.44 128.82 53.36 46.55 0.09 52.45 0.64 0.17 0.02 0.05 0.00 45.80 0.87 2 V E E 72.10 7.42 18.75 27.27 119.43 -162.79 -111.89 129.70 20.58 79.35 0.07 18.37 1.51 0.16 0.02 0.04 0.00 79.43 0.46 3 M E E 48.45 18.04 14.30 31.98 121.74 -160.67 -110.46 132.82 7.15 92.81 0.03 6.66 0.41 0.05 0.01 0.02 0.00 92.50 0.35 4 T E E 62.30 8.60 20.81 30.15 127.13 -172.13 -124.57 142.39 8.19 91.76 0.05 7.57 0.50 0.07 0.02 0.02 0.00 90.85 0.96 5 Q E E 63.36 16.64 14.49 30.51 125.18 -162.86 -119.23 141.23 33.68 66.21 0.11 27.96 5.23 0.39 0.03 0.09 0.00 65.14 1.16 6 S C C 57.30 7.15 18.59 26.55 121.63 -130.17 -92.62 150.82 76.89 22.99 0.12 53.08 22.28 0.82 0.01 0.12 0.00 23.00 0.67 7 P C C 72.07 8.03 17.08 25.94 114.34 -18.86 -68.98 148.65 87.17 12.60 0.23 63.47 20.58 1.91 0.02 0.26 0.00 13.31 0.45 8 L C C 73.34 13.23 15.05 28.35 101.43 -153.97 -89.76 -12.69 62.46 37.26 0.28 44.63 16.01 1.57 0.03 0.30 0.00 36.55 0.91 9 S E E 60.02 8.19 19.16 28.37 132.30 27.67 -134.66 146.44 20.09 79.84 0.07 17.52 2.27 0.21 0.01 0.06 0.00 79.14 0.79 10 L E E 38.31 16.95 15.30 32.26 125.23 -173.69 -131.15 130.82 4.58 95.42 0.00 4.05 0.39 0.02 0.00 0.00 0.00 95.34 0.20 11 P E E 85.21 5.02 22.99 28.60 114.11 -121.66 -75.05 138.21 4.37 95.63 0.00 4.01 0.22 0.01 0.00 0.00 0.00 95.63 0.13 12 I E E 16.77 22.15 12.23 33.91 132.33 -176.43 -135.73 150.10 18.49 81.49 0.02 17.74 0.80 0.03 0.01 0.01 0.00 78.10 3.31 13 T C C 66.33 4.77 23.68 28.29 121.65 -134.96 -100.33 146.97 82.89 17.08 0.03 82.63 1.26 0.07 0.01 0.02 0.00 14.07 1.94 14 P C T 57.05 14.99 13.88 28.66 109.45 -89.78 -60.67 136.85 99.51 0.30 0.20 0.32 3.21 96.12 0.01 0.14 0.00 0.16 0.05 15 G C T 47.38 4.38 19.02 24.33 96.25 22.01 87.66 -5.95 99.74 0.13 0.12 0.44 3.64 95.71 0.01 0.10 0.00 0.08 0.02 16 Q C S 88.65 6.21 18.71 26.09 123.67 110.71 -94.85 147.68 96.21 3.75 0.04 45.53 51.37 0.19 0.01 0.03 0.00 2.20 0.68 17 P C C 77.43 8.11 18.86 27.74 116.18 -105.28 -67.64 147.14 93.16 6.83 0.01 92.86 0.91 0.04 0.00 0.01 0.00 5.87 0.31 18 A E E 9.66 22.63 14.29 36.72 128.79 -163.38 -125.58 147.14 6.76 93.23 0.01 6.52 0.22 0.01 0.00 0.00 0.00 92.64 0.59 19 S E E 54.52 8.40 25.14 34.09 123.33 -152.24 -117.58 136.73 1.06 98.94 0.00 1.03 0.04 0.00 0.00 0.00 0.00 98.87 0.07 20 I E E 7.13 25.35 16.50 42.28 124.56 -169.47 -123.47 133.18 3.02 96.97 0.01 2.89 0.13 0.01 0.00 0.00 0.00 96.85 0.10 21 S E E 40.88 9.50 26.66 36.62 126.12 -165.34 -116.86 144.05 16.60 83.38 0.02 15.55 0.57 0.04 0.00 0.01 0.00 83.70 0.13 22 C E E 5.35 25.37 16.92 42.55 133.22 -174.34 -137.95 148.92 20.57 79.39 0.05 19.16 0.90 0.07 0.01 0.02 0.00 79.45 0.38 23 R E E 99.64 8.57 26.96 36.26 126.16 -163.25 -123.69 138.71 9.51 90.34 0.15 8.64 0.69 0.12 0.10 0.07 0.00 84.60 5.79 24 S E E 10.75 23.44 15.21 38.16 123.67 -158.06 -104.01 147.16 37.82 60.80 1.37 34.62 2.35 0.59 0.73 0.72 0.00 58.17 2.82 25 S C C 49.46 8.63 20.96 30.03 107.93 -136.06 -83.94 61.55 71.01 16.55 12.45 45.61 19.70 6.62 5.57 6.31 0.02 14.30 1.85 26 Q C S 99.09 7.77 18.45 26.62 106.75 -76.42 -82.04 9.37 56.65 6.88 36.47 18.86 20.79 18.79 17.87 16.85 0.31 4.66 1.88 27 S C C 61.33 7.36 19.16 26.88 107.23 62.26 -82.30 82.09 54.49 8.79 36.73 28.91 11.24 14.99 17.30 19.18 0.08 6.51 1.79 28 L C C 42.78 17.51 15.01 31.61 103.25 58.82 -83.28 5.86 47.50 16.19 36.31 27.63 10.80 10.42 18.47 17.51 0.21 12.04 2.93 29 V C C 54.59 13.53 16.58 30.07 110.43 79.39 -96.63 102.17 44.07 29.83 26.10 26.08 9.75 9.51 16.43 9.74 0.59 22.34 5.56 30 H C C 101.97 8.56 15.53 24.91 113.45 -163.01 -98.78 117.77 58.12 27.16 14.71 38.31 10.88 9.21 8.96 6.00 0.14 21.64 4.85 31 N C C 88.21 7.66 13.92 22.64 110.18 146.84 -100.50 85.44 74.25 17.54 8.21 38.55 16.35 20.55 3.91 3.93 0.04 13.62 3.04 32 N C T 109.93 3.95 16.12 20.99 99.69 -62.83 -82.79 18.46 90.85 4.47 4.68 20.72 28.64 42.02 1.22 3.12 0.00 3.28 0.99 33 G C S 38.60 8.39 15.48 24.58 99.87 -86.64 84.13 1.22 92.68 5.00 2.32 15.57 44.52 32.85 0.26 2.03 0.00 4.01 0.76 34 N C C 69.66 9.43 18.71 28.71 114.10 103.44 -98.61 117.02 71.25 27.68 1.07 41.71 23.57 6.55 0.17 1.03 0.00 25.21 1.75 35 T E E 19.78 20.17 16.69 36.45 118.95 -155.31 -108.96 135.05 38.37 61.32 0.31 31.89 5.13 0.94 0.06 0.26 0.00 60.59 1.13 36 Y E E 47.59 13.74 25.31 39.39 130.73 -172.94 -128.39 147.86 10.35 89.61 0.05 9.09 1.07 0.10 0.01 0.03 0.00 89.05 0.65 37 L E E 3.95 25.88 20.41 46.84 121.37 -151.88 -111.82 132.17 4.55 95.44 0.01 4.10 0.26 0.02 0.00 0.00 0.00 95.53 0.09 38 T E E 24.11 15.27 27.09 42.32 125.21 -168.84 -120.00 139.50 1.91 98.09 0.00 1.81 0.06 0.00 0.00 0.00 0.00 98.09 0.03 39 W E E 10.33 23.94 21.01 44.93 124.95 -161.38 -114.78 140.68 0.92 99.08 0.00 0.89 0.02 0.00 0.00 0.00 0.00 99.07 0.01 40 Y E E 27.77 16.00 23.88 40.09 131.82 -172.37 -129.19 148.76 0.51 99.49 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.51 0.02 41 Q E E 36.28 15.38 21.09 36.69 122.90 -151.67 -113.22 136.04 2.28 97.72 0.00 1.90 0.15 0.01 0.00 0.00 0.00 97.87 0.07 42 Q E E 49.80 13.87 16.45 30.97 120.20 -151.10 -107.80 134.06 25.91 74.08 0.01 24.00 1.08 0.04 0.00 0.01 0.00 73.81 1.06 43 R C C 101.52 7.49 15.72 24.49 119.62 -146.03 -91.84 144.59 97.51 2.48 0.02 96.02 1.68 0.12 0.00 0.01 0.00 1.81 0.34 44 P C T 95.35 5.29 11.69 18.89 109.55 -87.78 -58.90 133.99 99.82 0.07 0.11 0.23 3.15 96.46 0.00 0.10 0.00 0.04 0.01 45 G C T 69.17 0.27 13.41 10.76 94.33 18.19 83.32 -3.31 99.85 0.04 0.10 0.31 3.12 96.43 0.00 0.11 0.00 0.03 0.01 46 Q C S 83.30 6.32 9.18 17.59 127.85 99.40 -111.24 155.34 96.87 3.04 0.09 29.97 67.07 0.32 0.01 0.07 0.00 1.00 1.55 47 P C C 104.00 1.39 17.03 17.60 116.35 -95.96 -65.53 149.20 98.82 1.16 0.01 94.26 4.61 0.08 0.00 0.01 0.00 0.88 0.15 48 P C C 55.04 16.25 10.63 26.20 115.23 -100.18 -64.94 145.34 94.95 5.03 0.01 93.59 1.35 0.08 0.00 0.01 0.00 4.82 0.16 49 R E E 101.14 8.56 19.44 28.97 124.82 -158.18 -120.27 139.62 8.02 91.96 0.02 7.08 0.72 0.05 0.01 0.01 0.00 91.59 0.54 50 R E E 103.75 12.75 19.03 31.64 110.93 -114.92 -75.85 127.34 0.75 99.25 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.24 0.02 51 L E E 18.79 19.49 19.45 39.06 101.80 175.41 -97.27 -34.93 3.08 96.91 0.01 2.01 0.96 0.02 0.00 0.00 0.00 96.99 0.01 52 I E E 16.84 19.36 21.01 40.51 137.18 3.80 -148.42 144.19 0.51 99.49 0.00 0.42 0.04 0.00 0.00 0.00 0.00 99.53 0.01 53 Y E E 52.51 17.69 21.61 38.55 126.56 -170.72 -129.29 133.53 1.07 98.92 0.01 0.97 0.04 0.00 0.00 0.00 0.00 98.97 0.02 54 Q E E 50.74 14.82 23.14 37.49 121.55 -168.71 -119.86 129.97 7.94 91.93 0.13 6.85 0.70 0.14 0.05 0.06 0.00 91.92 0.29 55 V E E 31.26 16.75 19.58 36.26 118.64 -165.05 -111.13 129.48 32.73 65.93 1.34 26.63 5.08 1.51 0.50 0.79 0.00 64.40 1.10 56 S C C 31.01 13.31 18.45 32.12 125.98 -169.03 -119.53 153.00 69.18 28.05 2.77 44.98 17.22 7.43 0.70 2.07 0.01 25.70 1.91 57 N C C 85.81 8.96 17.99 27.39 105.85 -140.76 -97.33 60.02 81.14 14.97 3.89 51.09 19.47 11.10 0.94 3.07 0.01 11.66 2.65 58 R C C 115.22 9.48 13.85 24.06 107.62 140.04 -89.13 59.92 84.03 9.69 6.29 50.16 18.31 15.96 1.50 4.84 0.01 6.15 3.06 59 D C C 102.53 4.38 14.41 20.23 104.55 38.46 -86.77 44.91 87.68 6.24 6.08 41.38 23.87 22.95 1.07 4.90 0.00 3.30 2.52 60 S C T 64.11 7.61 13.26 21.84 103.62 105.78 -92.16 15.24 91.89 2.86 5.25 22.55 30.08 39.48 0.74 4.42 0.00 1.54 1.21 61 G C S 52.27 3.97 16.11 21.04 100.90 -99.34 82.15 3.81 94.08 4.17 1.75 29.00 36.97 28.21 0.20 1.84 0.00 2.56 1.23 62 V C C 47.98 13.40 11.97 26.10 117.76 112.73 -99.77 131.69 87.37 12.21 0.43 57.23 29.65 1.27 0.14 0.31 0.00 5.35 6.06 63 P C C 64.51 7.91 17.94 26.80 108.72 -110.34 -67.52 145.38 90.47 7.41 2.12 66.13 13.44 10.42 0.39 2.09 0.00 5.82 1.71 64 D C C 68.65 13.64 16.67 29.76 102.69 -115.56 -81.37 40.40 87.15 10.36 2.49 49.29 24.00 13.95 0.31 2.56 0.00 8.69 1.19 65 R C E 93.35 10.98 20.99 32.12 122.67 100.80 -119.55 136.52 56.87 40.95 2.17 37.92 15.95 3.77 0.50 1.67 0.00 38.67 1.53 66 F E E 27.13 22.41 15.33 37.09 123.18 -161.82 -112.06 137.49 14.79 84.89 0.32 13.08 1.58 0.33 0.16 0.17 0.00 82.93 1.74 67 I E E 79.65 8.48 24.30 33.58 131.40 -174.18 -131.94 148.15 8.77 91.07 0.16 7.84 0.73 0.17 0.08 0.07 0.00 90.21 0.91 68 G E E 18.29 19.75 15.72 34.08 137.34 165.08 -145.01 164.56 17.91 81.90 0.19 15.15 2.28 0.50 0.06 0.12 0.00 81.17 0.72 69 S E E 58.91 6.92 21.96 30.04 132.92 -165.85 -137.66 155.91 30.06 69.62 0.31 24.30 4.94 1.06 0.07 0.25 0.00 68.36 1.01 70 G C E 29.60 10.94 17.15 28.63 133.64 133.57 119.35 176.27 51.31 48.15 0.54 35.11 13.80 3.32 0.09 0.55 0.00 45.35 1.78 71 A C E 70.16 5.30 20.64 26.76 119.12 -101.61 -111.91 129.60 61.28 35.91 2.81 19.24 23.13 22.04 0.32 2.78 0.03 28.47 4.00 72 G C T 33.30 9.18 19.63 29.05 115.60 -25.53 70.26 -142.51 94.13 3.24 2.63 6.51 38.72 49.00 0.11 2.74 0.00 2.36 0.56 73 T C S 55.14 14.52 16.98 31.30 98.39 -25.18 -95.70 -0.15 91.24 6.56 2.20 9.27 43.63 38.64 0.12 2.22 0.00 5.31 0.81 74 D E E 64.23 8.44 22.81 32.23 119.39 88.54 -102.91 130.78 44.14 55.26 0.60 28.04 14.22 3.14 0.12 0.61 0.00 48.58 5.28 75 F E E 9.09 24.72 16.12 41.04 129.06 -175.19 -127.75 143.52 34.43 65.53 0.05 31.72 1.52 0.16 0.01 0.04 0.00 65.49 1.07 76 T E E 34.83 10.77 27.21 38.95 124.83 -165.16 -122.08 136.64 16.55 83.44 0.01 14.85 0.74 0.03 0.00 0.00 0.00 84.11 0.25 77 L E E 3.35 26.23 18.73 45.82 119.05 -160.69 -111.20 127.79 2.17 97.83 0.00 2.15 0.05 0.00 0.00 0.00 0.00 97.76 0.03 78 K E E 80.01 9.15 27.33 37.00 119.14 -163.65 -113.39 126.94 0.41 99.59 0.00 0.47 0.00 0.00 0.00 0.00 0.00 99.49 0.03 79 I E E 8.06 24.41 15.92 40.84 116.74 -167.47 -113.15 123.11 3.92 96.08 0.00 4.19 0.03 0.00 0.00 0.00 0.00 94.85 0.93 80 S C S 46.69 7.06 23.13 30.37 129.21 -174.85 -115.98 153.83 89.53 10.45 0.02 42.06 44.20 1.58 0.00 0.03 0.00 11.95 0.18 81 R C S 145.84 3.49 23.89 27.45 94.64 10.84 58.10 53.98 98.38 1.62 0.01 6.15 90.57 1.66 0.00 0.01 0.00 1.53 0.07 82 V C C 13.46 24.45 10.36 34.42 115.30 -151.99 -77.15 134.05 98.72 1.28 0.00 98.29 0.78 0.01 0.00 0.00 0.00 0.64 0.28 83 E C C 82.71 4.55 24.71 28.92 133.27 -163.61 -128.32 162.17 98.50 1.48 0.03 98.82 0.19 0.01 0.01 0.01 0.00 0.31 0.66 84 S H G 56.47 13.20 15.42 28.61 91.00 -100.93 -58.79 -32.28 2.55 0.02 97.43 0.16 0.18 1.57 0.23 97.85 0.00 0.01 0.00 85 E H G 126.09 3.61 21.86 26.18 89.69 62.85 -70.71 -15.85 2.17 0.02 97.80 0.09 0.13 1.42 0.18 98.15 0.00 0.02 0.00 86 D H G 10.26 22.09 16.36 38.85 93.01 63.75 -84.96 -5.43 3.13 0.04 96.84 0.39 0.29 1.40 0.23 97.66 0.00 0.03 0.00 87 V C C 35.86 17.45 19.96 37.42 115.00 110.16 -71.18 136.69 97.18 2.78 0.04 94.93 2.36 0.07 0.01 0.03 0.00 2.47 0.13 88 G E E 12.02 11.00 24.50 37.28 140.58 69.27 141.68 -168.20 8.19 91.80 0.01 6.34 1.76 0.05 0.00 0.01 0.00 91.44 0.41 89 I E E 41.45 14.78 25.43 40.32 119.01 -36.07 -101.98 132.22 0.60 99.40 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.42 0.01 90 Y E E 6.17 25.45 21.49 47.06 122.17 -164.06 -113.90 135.66 0.34 99.66 0.00 0.29 0.02 0.00 0.00 0.00 0.00 99.69 0.01 91 Y E E 23.41 19.50 28.17 46.78 129.19 -170.25 -123.99 144.73 0.72 99.28 0.00 0.64 0.03 0.00 0.00 0.00 0.00 99.30 0.03 92 C E E 2.27 25.81 24.48 50.01 126.89 -164.04 -122.68 142.24 4.34 95.63 0.03 3.80 0.28 0.04 0.01 0.02 0.00 95.73 0.13 93 G E E 4.65 20.17 25.96 45.46 135.25 -174.99 -133.30 156.83 7.90 91.98 0.12 6.84 0.75 0.12 0.04 0.06 0.00 91.81 0.38 94 Q E E 31.65 18.32 22.85 40.47 125.57 -145.99 -118.91 139.78 18.07 81.64 0.29 14.73 3.14 0.61 0.07 0.20 0.00 80.35 0.90 95 I E E 46.32 14.39 19.16 33.67 116.25 -145.27 -101.02 128.71 42.74 56.75 0.51 34.73 6.56 1.42 0.11 0.43 0.00 54.82 1.91 96 T C C 58.80 10.22 16.23 27.12 112.42 167.18 -106.29 105.47 77.62 21.51 0.87 31.44 31.42 15.41 0.09 0.89 0.00 19.40 1.35 97 D C S 100.24 4.12 16.79 21.64 102.54 -6.65 -93.42 6.41 93.96 5.32 0.71 18.89 52.33 22.79 0.05 0.81 0.00 4.49 0.63 98 F C S 96.53 8.15 13.22 22.77 120.84 52.00 -114.57 132.22 91.49 7.63 0.88 32.60 51.02 8.21 0.12 0.90 0.00 5.63 1.52 99 P C S 77.00 6.40 17.27 24.31 112.46 -93.63 -70.22 147.93 90.40 8.44 1.17 33.33 35.20 22.01 0.09 1.27 0.00 7.42 0.67 100 Y C C 91.81 13.96 15.72 29.46 116.01 -103.15 -89.27 133.95 64.35 34.50 1.16 41.47 13.38 9.11 0.13 1.20 0.00 33.65 1.08 101 S E E 33.49 13.60 19.62 33.47 129.26 -170.18 -127.79 148.07 29.15 70.37 0.48 24.77 3.20 0.94 0.15 0.38 0.00 66.51 4.05 102 F E E 51.90 18.73 17.95 35.81 119.85 -144.93 -103.60 135.19 22.67 76.96 0.38 18.14 3.10 0.80 0.18 0.26 0.00 69.11 8.40 103 G C C 19.59 14.43 19.25 33.25 120.47 -143.84 -78.96 -161.59 65.43 34.09 0.48 41.20 19.55 4.67 0.06 0.49 0.00 32.85 1.18 104 Q C C 114.82 5.68 22.93 28.95 99.27 -57.88 -79.42 -0.83 73.60 25.88 0.53 43.38 23.95 5.59 0.05 0.60 0.00 25.55 0.88 105 G C C 15.92 18.20 16.87 33.90 126.14 -125.32 82.65 174.19 72.15 27.62 0.24 59.15 8.93 1.60 0.03 0.25 0.00 29.46 0.59 106 T E E 27.22 16.97 19.25 36.22 127.09 -108.64 -119.86 144.55 15.97 84.00 0.03 14.70 0.73 0.05 0.01 0.02 0.00 84.08 0.42 107 K E E 108.80 8.30 23.32 32.35 118.74 -136.15 -97.93 133.08 1.40 98.59 0.00 1.28 0.07 0.00 0.00 0.00 0.00 98.57 0.07 108 V E E 12.21 22.96 14.09 36.96 122.00 -167.12 -116.55 132.03 1.63 98.36 0.00 1.59 0.05 0.00 0.00 0.00 0.00 98.29 0.06 109 D E E 77.28 5.20 23.59 29.04 116.11 -151.82 -102.57 126.77 4.70 95.29 0.01 4.48 0.21 0.03 0.00 0.01 0.00 95.03 0.23 110 I E E 28.47 21.05 10.82 30.92 114.82 -158.14 -100.17 124.77 25.98 73.97 0.05 26.09 0.27 0.05 0.02 0.02 0.00 72.59 0.96 111 K C C 130.53 3.90 19.67 24.35 114.62 -162.23 -91.52 126.96 99.54 0.46 0.00 99.59 0.05 0.01 0.00 0.00 0.00 0.34 0.01