# 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 114.73 5.74 20.90 27.31 114.17 -138.87 -90.47 129.80 99.54 0.46 0.00 99.50 0.09 0.02 0.00 0.00 0.00 0.38 0.01 1 I C C 35.66 19.71 12.81 31.92 118.14 -151.22 -103.49 128.67 55.67 44.16 0.17 54.70 0.49 0.28 0.03 0.11 0.00 43.75 0.64 2 V E E 63.46 7.99 21.26 30.08 119.13 -164.98 -114.10 128.06 14.78 84.79 0.43 13.06 1.25 0.50 0.11 0.32 0.00 84.15 0.62 3 L E E 31.98 20.24 14.07 33.88 118.13 -157.01 -103.64 128.02 8.92 90.76 0.33 7.85 0.82 0.36 0.09 0.23 0.00 90.15 0.49 4 T E E 67.00 7.71 21.27 29.53 119.31 -171.54 -114.64 132.07 14.79 84.84 0.37 12.77 1.45 0.50 0.10 0.27 0.00 84.08 0.84 5 Q E E 66.51 14.53 15.34 29.70 125.96 -163.02 -122.26 140.77 42.03 57.64 0.33 33.37 7.87 0.91 0.07 0.28 0.00 56.44 1.06 6 S C C 57.79 7.98 18.42 27.20 120.22 -131.46 -97.13 145.38 79.87 20.02 0.12 55.43 22.56 1.05 0.02 0.12 0.00 20.09 0.73 7 P C S 72.37 8.63 17.12 26.33 112.44 -39.77 -68.44 149.08 87.37 12.41 0.22 33.39 45.71 6.98 0.01 0.28 0.00 13.21 0.41 8 G E E 32.15 10.11 17.80 28.09 114.34 112.69 -85.12 -150.65 43.62 56.16 0.22 24.70 16.10 3.37 0.02 0.27 0.00 55.00 0.56 9 T E E 74.77 8.06 19.52 28.49 128.63 -29.03 -128.67 140.64 14.89 85.08 0.04 13.42 1.04 0.09 0.00 0.03 0.00 85.09 0.33 10 L E E 25.32 20.09 14.83 34.55 126.39 -170.82 -126.88 138.41 2.44 97.56 0.00 2.25 0.11 0.01 0.00 0.00 0.00 97.54 0.10 11 S E E 64.43 6.70 23.55 31.27 122.49 -157.45 -115.86 134.39 2.16 97.84 0.00 1.92 0.13 0.00 0.00 0.00 0.00 97.88 0.07 12 L E E 17.21 21.03 13.74 34.50 133.35 174.07 -136.27 152.13 15.20 84.79 0.01 14.49 0.55 0.02 0.00 0.01 0.00 83.90 1.02 13 S C C 53.00 4.76 23.39 27.85 121.96 -124.04 -86.49 156.49 93.91 6.06 0.03 92.86 1.22 0.10 0.01 0.02 0.00 5.31 0.47 14 P C T 62.30 13.40 14.38 27.98 109.46 -81.15 -59.64 135.77 99.13 0.36 0.51 0.30 2.70 96.36 0.03 0.34 0.00 0.20 0.07 15 G C T 47.39 4.09 19.30 24.19 95.87 23.21 88.33 -6.72 99.24 0.27 0.49 0.51 3.11 95.78 0.03 0.36 0.00 0.19 0.03 16 E C C 83.70 8.13 17.73 27.02 122.17 118.35 -84.65 149.47 92.12 7.50 0.38 72.34 19.20 0.67 0.06 0.33 0.00 6.56 0.84 17 R C C 125.31 9.27 18.81 29.20 123.20 -134.06 -105.96 141.52 53.10 46.84 0.06 51.86 0.91 0.09 0.01 0.04 0.00 46.01 1.09 18 A E E 9.46 21.48 15.44 36.87 130.33 -170.19 -129.07 148.26 3.09 96.90 0.01 2.88 0.12 0.01 0.00 0.00 0.00 96.85 0.13 19 T E E 65.22 8.68 24.78 34.04 121.86 -146.80 -115.04 133.52 1.23 98.77 0.00 1.09 0.06 0.00 0.00 0.00 0.00 98.82 0.03 20 L E E 6.21 25.15 17.07 42.62 122.93 -168.46 -117.34 133.40 4.43 95.57 0.01 3.94 0.27 0.02 0.00 0.00 0.00 95.70 0.07 21 S E E 36.01 10.46 26.45 37.33 127.99 -169.05 -121.25 144.99 10.68 89.31 0.01 9.49 0.60 0.03 0.00 0.01 0.00 89.78 0.10 22 C E E 5.19 24.86 17.25 42.35 134.20 -173.19 -138.52 150.75 9.03 90.95 0.01 8.34 0.38 0.03 0.00 0.01 0.00 90.99 0.26 23 R E E 108.16 7.18 26.54 34.51 121.07 -151.14 -113.86 132.94 4.65 95.34 0.02 4.29 0.23 0.02 0.01 0.01 0.00 93.81 1.63 24 A E E 7.90 24.06 12.34 36.17 121.38 -156.06 -99.81 141.53 35.24 64.54 0.21 33.62 1.33 0.21 0.06 0.15 0.00 62.80 1.83 25 S C S 70.84 4.25 21.45 25.97 98.47 -154.04 -86.77 -17.65 88.37 11.22 0.42 29.98 54.17 3.68 0.04 0.40 0.00 11.19 0.54 26 Q C S 94.17 4.72 20.30 25.55 131.57 22.93 -133.97 158.54 91.54 7.59 0.86 11.02 72.76 7.76 0.09 0.71 0.00 6.99 0.67 27 S C C 70.54 6.92 19.36 27.22 114.16 -92.28 -75.58 138.60 90.62 8.15 1.23 75.40 10.19 4.58 0.17 1.35 0.00 7.17 1.14 28 V C C 19.39 21.75 12.30 33.44 122.39 -162.96 -114.52 138.09 77.43 20.52 2.05 65.51 7.55 2.73 0.78 1.42 0.00 12.80 9.21 29 S C C 64.51 5.10 23.25 28.36 113.67 -144.34 -95.11 133.93 85.75 11.48 2.77 63.99 15.13 6.36 0.61 2.44 0.00 8.82 2.65 30 S C S 40.02 15.75 17.00 31.61 106.74 -105.27 -86.73 0.41 71.86 8.55 19.59 17.94 30.27 25.16 1.20 17.51 0.01 6.68 1.23 31 S C S 59.08 9.25 21.91 30.84 97.78 65.05 -84.31 -11.49 69.89 12.29 17.81 12.46 32.51 25.84 0.74 16.47 0.01 11.03 0.95 32 Y E E 56.91 15.35 22.17 36.98 118.60 44.71 -117.64 123.96 34.16 51.58 14.26 17.93 8.29 10.32 0.84 12.33 0.01 49.52 0.75 33 L E E 4.85 25.28 20.06 45.35 126.92 110.32 -122.62 140.56 8.40 91.56 0.04 7.60 0.61 0.05 0.01 0.02 0.00 91.48 0.23 34 A E E 10.63 18.28 27.70 45.69 130.66 -170.80 -127.05 145.46 0.87 99.12 0.00 0.80 0.03 0.00 0.00 0.00 0.00 99.14 0.02 35 W E E 9.14 24.32 23.12 47.13 124.65 -152.96 -113.70 138.94 0.58 99.42 0.00 0.52 0.03 0.00 0.00 0.00 0.00 99.44 0.01 36 Y E E 23.79 17.59 23.57 41.09 133.12 -175.15 -132.31 150.60 0.92 99.08 0.00 0.79 0.04 0.00 0.00 0.00 0.00 99.14 0.03 37 Q E E 44.43 14.36 21.55 36.10 122.19 -145.22 -110.78 135.66 3.11 96.89 0.00 2.61 0.24 0.02 0.00 0.00 0.00 97.04 0.09 38 Q E E 53.53 14.16 15.56 30.17 120.54 -154.86 -108.38 137.39 27.49 72.49 0.03 24.84 1.89 0.09 0.00 0.02 0.00 71.91 1.24 39 K C C 99.80 6.22 15.70 23.20 119.29 -138.81 -94.28 145.54 97.90 2.07 0.03 96.02 1.96 0.17 0.01 0.02 0.00 1.50 0.33 40 P C T 103.78 3.97 11.53 17.49 109.39 -86.59 -58.58 134.24 99.56 0.12 0.32 0.48 3.75 95.35 0.01 0.32 0.00 0.07 0.03 41 G C T 68.94 0.30 13.11 10.84 95.52 18.23 83.63 -2.97 99.57 0.08 0.35 0.58 3.70 95.26 0.01 0.38 0.00 0.05 0.02 42 Q C S 89.63 5.55 10.31 17.96 129.13 96.84 -114.54 159.52 93.81 5.68 0.52 36.79 55.47 1.64 0.09 0.44 0.00 2.05 3.52 43 A C C 73.99 2.65 17.78 20.56 116.54 -98.44 -71.70 150.34 97.35 2.61 0.04 86.06 11.32 0.20 0.01 0.03 0.00 2.02 0.36 44 P C C 42.46 18.39 11.89 29.56 114.82 -99.89 -66.12 144.35 90.81 9.15 0.04 88.58 2.12 0.16 0.00 0.03 0.00 8.83 0.27 45 R E E 101.32 8.90 21.88 31.31 124.57 -160.22 -119.66 138.33 9.61 90.31 0.08 8.40 1.03 0.11 0.03 0.04 0.00 89.62 0.76 46 L E E 54.08 17.07 18.84 35.28 110.88 -115.96 -76.05 126.75 1.32 98.66 0.02 1.18 0.06 0.01 0.01 0.01 0.00 98.69 0.05 47 L E E 20.81 18.87 22.17 40.71 101.60 175.40 -95.69 -33.96 2.06 97.90 0.04 1.41 0.48 0.03 0.01 0.01 0.00 98.03 0.02 48 I E E 10.32 21.94 22.68 44.21 134.94 5.65 -145.26 141.38 0.72 99.26 0.02 0.57 0.06 0.01 0.01 0.00 0.00 99.33 0.02 49 Y E E 53.98 18.20 23.47 40.32 130.01 -173.65 -133.43 139.51 5.79 94.12 0.09 4.79 0.57 0.11 0.03 0.04 0.00 94.27 0.18 50 G E E 10.81 18.47 21.13 38.61 127.09 121.37 -120.22 162.56 45.13 53.73 1.14 27.66 13.89 4.59 0.25 0.85 0.00 51.98 0.77 51 A C C 37.98 13.71 19.62 33.06 111.57 -114.88 -93.48 137.72 69.65 23.79 6.56 29.75 24.24 17.85 1.42 4.62 0.04 19.98 2.09 52 S C T 60.25 9.27 18.29 27.57 106.63 -82.67 -88.39 21.88 79.73 8.53 11.74 26.10 27.01 28.21 2.52 8.26 0.04 5.82 2.03 53 S C S 65.66 7.89 17.36 25.72 104.03 44.91 -92.66 22.00 75.78 8.56 15.66 24.51 26.97 26.49 3.75 10.38 0.07 5.49 2.33 54 R C C 126.51 8.08 17.05 25.82 112.43 72.69 -97.08 112.93 67.90 18.73 13.36 37.08 16.94 15.58 4.37 8.47 0.08 13.17 4.31 55 A C C 42.95 15.56 12.92 27.84 112.87 -135.24 -87.61 127.97 71.55 19.22 9.23 48.70 12.97 10.13 3.28 5.97 0.02 14.65 4.27 56 T C C 87.55 5.37 18.35 24.82 117.22 -171.42 -104.51 130.53 74.84 19.22 5.94 36.36 19.92 20.42 1.91 3.79 0.05 14.10 3.45 57 G C C 41.10 6.44 18.93 26.12 111.69 9.51 94.14 3.72 84.63 13.05 2.32 37.25 31.04 17.33 0.44 2.01 0.00 9.36 2.57 58 I C C 34.54 20.53 12.07 31.47 116.01 110.44 -95.71 127.68 90.85 8.57 0.58 72.73 16.96 1.30 0.22 0.39 0.00 5.47 2.93 59 P C C 53.51 10.24 16.21 27.49 113.17 -114.96 -66.70 150.73 85.78 4.98 9.25 63.14 8.85 13.08 1.68 8.25 0.00 3.73 1.27 60 D C T 116.12 3.01 18.46 22.22 94.76 -107.12 -67.74 -17.28 74.30 4.10 21.59 19.95 20.23 35.17 2.16 18.74 0.02 2.67 1.05 61 R C T 98.95 11.46 17.80 29.21 97.29 61.35 -84.05 -10.45 65.71 11.86 22.42 17.33 21.19 29.63 2.31 18.35 0.06 9.81 1.32 62 F E E 21.39 23.06 13.58 35.83 115.73 61.11 -110.21 112.58 23.94 65.84 10.23 15.91 6.66 5.03 2.49 6.49 0.04 61.62 1.74 63 S E E 51.95 8.30 22.90 32.10 132.03 146.13 -129.81 153.06 12.41 87.19 0.40 10.34 1.97 0.47 0.19 0.20 0.00 85.57 1.26 64 G E E 22.41 17.29 16.30 32.63 141.41 165.60 -159.80 169.96 11.83 88.01 0.16 9.98 1.57 0.34 0.05 0.09 0.00 87.34 0.63 65 S E E 65.33 5.17 21.81 28.65 135.59 -153.76 -146.35 155.72 21.39 78.45 0.16 18.20 2.65 0.48 0.04 0.12 0.00 77.79 0.73 66 G E E 28.61 11.97 15.63 28.03 139.99 134.53 96.53 165.94 42.81 56.95 0.24 31.41 10.41 1.72 0.04 0.25 0.00 54.80 1.38 67 S C C 75.39 3.57 20.96 25.27 121.58 -106.72 -124.17 132.38 63.56 35.63 0.81 37.53 21.12 6.60 0.13 0.86 0.00 30.05 3.70 68 G C S 33.04 10.07 19.17 29.42 110.55 -41.84 64.85 -131.69 97.12 1.65 1.23 3.90 53.81 39.60 0.04 1.23 0.00 1.16 0.26 69 T C S 54.22 14.39 16.72 31.12 97.63 -7.75 -95.79 -2.82 96.67 2.25 1.08 3.74 53.59 39.58 0.04 1.03 0.00 1.75 0.26 70 D E E 59.93 9.06 22.61 32.74 117.79 84.17 -103.83 128.52 45.32 54.08 0.60 27.23 16.40 4.15 0.07 0.70 0.00 48.82 2.63 71 F E E 7.46 24.78 16.26 41.51 127.36 -174.14 -125.79 140.93 20.76 79.22 0.02 19.31 0.89 0.06 0.00 0.01 0.00 79.12 0.60 72 T E E 35.42 10.66 27.39 39.07 123.28 -165.22 -117.96 135.15 5.49 94.50 0.00 4.86 0.23 0.00 0.00 0.00 0.00 94.82 0.08 73 L E E 2.76 26.32 19.15 46.42 119.70 -162.37 -111.91 129.02 0.34 99.66 0.00 0.34 0.00 0.00 0.00 0.00 0.00 99.66 0.00 74 T E E 38.32 10.35 27.30 38.51 120.12 -164.28 -115.74 128.88 0.15 99.85 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.01 75 I E E 6.85 24.26 16.58 41.47 117.65 -167.05 -113.83 125.33 3.04 96.96 0.00 3.19 0.03 0.00 0.00 0.00 0.00 96.37 0.41 76 S C S 45.86 7.50 23.05 30.83 122.98 -166.65 -105.90 155.80 92.30 7.67 0.04 42.95 46.14 2.04 0.00 0.06 0.00 8.62 0.19 77 R C S 141.12 4.44 23.83 28.38 96.55 8.77 56.70 56.51 98.78 1.21 0.01 10.02 86.76 2.01 0.00 0.02 0.00 1.10 0.09 78 L C C 15.51 24.16 10.51 34.26 114.35 -150.18 -78.41 133.78 99.08 0.92 0.01 97.63 1.62 0.02 0.00 0.00 0.00 0.32 0.41 79 E C C 86.11 4.50 24.35 28.56 129.75 -171.48 -122.50 156.52 99.88 0.11 0.01 99.53 0.38 0.00 0.00 0.00 0.00 0.02 0.06 80 P H G 67.34 13.62 14.93 28.59 91.04 -105.39 -58.89 -31.59 3.59 0.02 96.39 0.17 0.20 2.25 0.22 97.14 0.00 0.01 0.00 81 E H G 125.36 3.82 21.54 26.14 90.34 62.77 -71.85 -16.07 2.99 0.03 96.99 0.09 0.15 1.98 0.15 97.61 0.00 0.02 0.00 82 D H G 15.68 20.11 16.88 37.32 94.62 62.22 -88.01 -2.27 4.04 0.05 95.91 0.53 0.40 1.74 0.23 97.05 0.00 0.05 0.00 83 F C C 40.62 18.33 20.46 38.69 117.27 104.20 -80.38 136.31 85.14 14.58 0.28 81.74 3.25 0.13 0.02 0.26 0.00 14.24 0.36 84 A E E 10.28 19.13 23.57 41.97 142.55 156.64 -153.44 170.56 5.19 94.80 0.01 4.85 0.30 0.02 0.00 0.00 0.00 94.45 0.37 85 V E E 27.56 16.60 25.80 42.14 119.84 -107.75 -107.88 132.10 0.78 99.22 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.24 0.02 86 Y E E 7.01 24.99 21.43 46.35 123.75 -165.70 -115.36 137.12 0.64 99.36 0.00 0.54 0.03 0.00 0.00 0.00 0.00 99.41 0.01 87 Y E E 27.88 17.31 27.12 44.02 128.96 -169.05 -123.28 144.54 2.10 97.89 0.02 1.78 0.12 0.01 0.00 0.01 0.00 98.02 0.06 88 C E E 3.62 24.88 21.38 46.33 124.06 -160.15 -117.61 137.89 7.32 92.55 0.12 6.00 0.91 0.15 0.03 0.06 0.00 92.65 0.18 89 Q E E 37.09 14.12 25.06 39.24 127.68 -171.17 -124.85 143.10 6.42 93.37 0.21 5.35 0.68 0.17 0.06 0.10 0.00 93.37 0.27 90 H E E 49.27 16.28 18.19 34.42 116.84 -142.21 -100.43 129.55 13.00 86.64 0.36 10.48 1.95 0.55 0.09 0.22 0.00 86.13 0.58 91 Y E E 88.72 10.70 16.15 27.77 116.15 -167.36 -112.83 121.28 36.66 62.49 0.84 25.86 8.82 3.81 0.15 0.72 0.00 59.44 1.19 92 G C T 45.29 3.94 14.67 19.71 119.46 15.26 92.24 -160.03 83.95 14.35 1.70 21.29 29.61 32.96 0.13 1.73 0.00 13.34 0.93 93 S C S 95.97 1.50 13.64 15.43 99.33 -37.64 -86.43 -2.13 94.74 3.00 2.25 19.46 38.29 37.00 0.19 2.29 0.00 2.24 0.53 94 S C S 66.56 4.14 13.55 19.33 124.00 75.28 -106.16 151.65 81.32 16.79 1.89 25.70 40.77 15.17 0.24 1.74 0.00 15.00 1.38 95 L C C 88.24 9.30 15.24 25.32 116.53 -113.43 -87.26 137.77 58.70 40.59 0.71 46.28 8.67 2.43 0.13 0.57 0.00 40.87 1.04 96 W E E 59.95 16.90 14.68 31.56 122.16 -156.70 -110.83 137.87 30.90 68.72 0.38 26.91 2.81 0.64 0.12 0.22 0.00 68.26 1.04 97 T E E 63.32 9.92 21.84 32.12 123.62 -160.25 -117.06 136.80 16.06 83.68 0.26 14.06 1.51 0.34 0.11 0.13 0.00 81.96 1.88 98 F E E 40.19 20.47 15.77 35.40 115.79 -151.02 -98.96 128.12 27.00 72.52 0.48 22.58 3.61 1.09 0.18 0.31 0.00 69.66 2.56 99 G C C 24.19 11.84 19.41 31.26 121.35 -142.50 -77.67 -166.64 68.80 30.78 0.42 45.30 18.59 4.15 0.05 0.41 0.00 30.68 0.81 100 Q C C 117.30 5.18 22.28 27.84 104.73 -52.18 -80.16 46.65 74.91 24.57 0.52 47.05 22.52 4.53 0.06 0.55 0.00 24.53 0.76 101 G C C 16.29 18.39 16.46 33.65 126.99 -124.45 91.37 174.38 68.14 31.63 0.23 56.07 8.27 1.25 0.03 0.22 0.00 33.64 0.52 102 T E E 29.34 16.24 19.44 35.75 126.70 -106.10 -119.36 143.60 10.39 89.56 0.05 9.39 0.63 0.06 0.01 0.02 0.00 89.55 0.33 103 K E E 103.59 9.31 23.01 32.78 119.73 -141.18 -102.25 132.91 1.64 98.34 0.01 1.40 0.13 0.01 0.00 0.00 0.00 98.37 0.07 104 L E E 13.29 22.87 14.48 37.30 122.16 -165.26 -115.91 133.93 2.07 97.92 0.01 1.96 0.07 0.01 0.00 0.00 0.00 97.88 0.07 105 E E E 97.34 5.48 23.60 29.51 117.32 -155.82 -105.59 128.62 5.54 94.43 0.03 5.24 0.25 0.05 0.01 0.01 0.00 94.16 0.27 106 I E E 26.05 21.02 10.93 31.21 115.66 -155.22 -99.39 126.18 29.79 70.12 0.09 29.69 0.33 0.08 0.04 0.03 0.00 68.85 0.99 107 K C C 128.98 3.95 19.78 24.55 114.40 -155.40 -99.77 127.39 99.38 0.61 0.00 99.45 0.05 0.01 0.00 0.00 0.00 0.48 0.01