#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o3f s THR 3 N 0.00 0.00 0.00 0.00 -1.32 -1.26 -4.07 115.64 108.98 2o3f s THR 3 Ca 0.00 -1.18 0.00 0.00 -1.21 0.00 0.00 61.69 59.30 2o3f s THR 3 Cb 0.00 -2.64 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 2o3f s THR 3 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2o3f n GLY 4 N -0.52 0.75 0.28 6.08 0.00 -1.22 -4.80 105.19 105.76 2o3f n GLY 4 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 2o3f n GLY 4 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2o3f h GLY 5 N 0.00 1.01 1.28 -0.02 0.00 -1.78 -0.07 103.07 103.50 2o3f h GLY 5 Ca 0.00 -0.37 -0.19 0.00 0.00 0.00 0.00 47.33 46.77 2o3f h GLY 5 CO 0.00 0.36 -0.60 1.41 0.00 0.00 0.00 176.54 177.71 2o3f h LEU 6 N 0.96 0.84 -0.28 3.11 3.38 -1.87 -2.54 115.31 118.92 2o3f h LEU 6 Ca 0.27 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2o3f h LEU 6 Cb -0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 2o3f h LEU 6 CO -0.06 1.25 0.05 0.00 0.09 0.00 0.00 178.44 179.77 2o3f h ALA 7 N 0.76 0.37 -0.66 1.53 0.00 -1.90 -0.43 119.26 118.93 2o3f h ALA 7 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2o3f h ALA 7 Cb 1.19 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2o3f h ALA 7 CO 0.12 0.05 0.33 -0.84 0.00 0.00 0.00 179.25 178.92 2o3f h ILE 8 N 0.28 1.21 -0.10 0.00 3.07 -1.01 -0.72 117.51 120.23 2o3f h ILE 8 Ca 0.09 -0.55 -0.08 0.00 1.55 0.00 0.00 64.86 65.86 2o3f h ILE 8 Cb 0.32 0.35 0.00 0.00 -0.27 0.00 0.00 36.82 37.22 2o3f h ILE 8 CO 0.00 0.24 -0.27 0.40 -1.05 0.00 0.00 178.15 177.47 2o3f h ILE 9 N 0.92 1.40 -0.43 0.16 2.04 -1.33 -3.22 117.51 117.05 2o3f h ILE 9 Ca 0.23 -1.60 0.02 0.00 1.00 0.00 0.00 64.86 64.51 2o3f h ILE 9 Cb 0.07 2.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 2o3f h ILE 9 CO -0.03 0.46 0.25 -0.61 0.00 0.00 0.00 178.15 178.22 2o3f h GLN 10 N -0.10 0.49 -3.11 2.37 5.75 -0.93 -3.46 115.11 116.13 2o3f h GLN 10 Ca -0.01 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2o3f h GLN 10 Cb 0.88 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.32 2o3f h GLN 10 CO 0.06 0.32 0.22 0.43 -2.65 0.00 0.00 178.83 177.22 2o3f n SER 11 N -4.85 0.00 -3.52 -0.69 7.64 -0.29 -5.10 113.62 106.81 2o3f n SER 11 Ca 0.02 -0.66 -0.21 0.00 1.01 0.00 0.00 58.87 59.02 2o3f n SER 11 Cb 0.07 -0.02 0.05 0.00 -1.01 0.00 0.00 64.21 63.30 2o3f n SER 11 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2o3f n HIS 14 N 2.26 -2.12 -1.17 1.43 8.25 -1.26 -5.11 115.22 117.49 2o3f n HIS 14 Ca 0.00 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.22 2o3f n HIS 14 Cb 0.00 -4.15 0.00 0.00 1.12 0.00 0.00 29.99 26.96 2o3f n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2o3f n LEU 16 N -3.90 -1.58 -4.71 2.41 4.77 -1.26 -5.20 117.00 107.54 2o3f n LEU 16 Ca -0.17 2.19 -0.32 0.00 -0.03 0.00 0.00 56.01 57.68 2o3f n LEU 16 Cb 0.64 -2.01 0.13 0.00 -2.33 0.00 0.00 43.42 39.84 2o3f n LEU 16 CO 0.64 -0.13 0.72 -2.84 -1.33 0.00 0.00 177.39 174.45 2o3f s PRO 17 N -4.67 1.62 0.25 3.23 0.02 -1.26 -4.59 135.00 129.60 2o3f s PRO 17 Ca 0.00 1.55 -0.13 0.00 0.02 0.00 0.00 61.00 62.44 2o3f s PRO 17 Cb 0.00 -1.79 0.33 0.00 0.02 0.00 0.00 34.50 33.06 2o3f s PRO 17 CO 0.00 -2.18 1.57 -1.35 -0.33 0.00 0.00 177.00 174.70 2o3f h PRO 18 N -1.20 -0.01 -0.19 5.54 0.11 -2.04 0.15 132.00 134.36 2o3f h PRO 18 Ca -0.45 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.54 2o3f h PRO 18 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2o3f h PRO 18 CO 0.46 -0.01 -0.43 0.66 -0.21 0.00 0.00 178.00 178.47 2o3f h SER 19 N -0.02 0.48 0.26 -2.05 4.64 -1.97 -0.65 113.55 114.23 2o3f h SER 19 Ca 0.40 -0.22 -0.19 0.00 -0.47 0.00 0.00 61.79 61.31 2o3f h SER 19 Cb 0.64 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2o3f h SER 19 CO -0.95 0.85 -0.76 -0.33 -0.87 0.00 0.00 176.83 174.78 2o3f h GLU 20 N 0.37 0.42 -0.31 4.77 3.07 -1.67 -3.12 114.58 118.10 2o3f h GLU 20 Ca 0.03 -0.35 -0.00 0.00 -0.50 0.00 0.00 59.36 58.53 2o3f h GLU 20 Cb 0.91 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.89 2o3f h GLU 20 CO 0.08 1.00 0.19 -0.09 -1.40 0.00 0.00 179.01 178.79 2o3f h ARG 21 N 0.28 0.42 -0.98 2.33 1.12 -0.14 -0.67 114.38 116.75 2o3f h ARG 21 Ca -0.04 -0.03 0.03 0.00 -1.11 0.00 0.00 59.98 58.82 2o3f h ARG 21 Cb 1.34 -0.09 -0.05 0.00 -0.01 0.00 0.00 29.97 31.16 2o3f h ARG 21 CO 0.13 0.31 0.64 0.87 -3.11 0.00 0.00 179.97 178.81 2o3f h LYS 22 N 0.41 1.23 -0.03 0.20 1.57 -1.17 -0.16 116.57 118.62 2o3f h LYS 22 Ca 0.11 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2o3f h LYS 22 Cb -0.01 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.02 2o3f h LYS 22 CO -0.02 0.82 0.01 -0.07 -0.57 0.00 0.00 179.45 179.61 2o3f h LEU 23 N 1.27 0.04 -1.19 2.94 3.38 -1.40 -2.14 115.31 118.22 2o3f h LEU 23 Ca 0.38 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2o3f h LEU 23 Cb -0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 2o3f h LEU 23 CO -0.11 0.26 0.56 0.00 0.09 0.00 0.00 178.44 179.24 2o3f h ALA 24 N 0.79 1.48 -0.43 1.53 0.00 -0.75 -1.30 119.26 120.57 2o3f h ALA 24 Ca 0.01 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2o3f h ALA 24 Cb 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2o3f h ALA 24 CO 0.00 0.43 -0.21 -0.44 0.00 0.00 0.00 179.25 179.03 2o3f h ASP 25 N 1.05 0.87 -0.20 0.00 3.32 -0.85 -0.58 116.42 120.03 2o3f h ASP 25 Ca 0.34 -0.32 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 2o3f h ASP 25 Cb 0.04 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 2o3f h ASP 25 CO -0.10 1.06 -0.23 0.22 -1.72 0.00 0.00 179.24 178.47 2o3f h TYR 26 N 0.75 0.62 -0.34 4.55 3.20 -0.73 -1.80 116.97 123.20 2o3f h TYR 26 Ca 0.10 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.78 2o3f h TYR 26 Cb 0.75 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 2o3f h TYR 26 CO 0.04 0.88 0.22 0.82 -1.64 0.00 0.00 178.16 178.48 2o3f h ILE 27 N 0.18 1.08 -0.52 1.81 2.04 -1.16 0.19 117.51 121.13 2o3f h ILE 27 Ca 0.03 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 2o3f h ILE 27 Cb 0.79 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2o3f h ILE 27 CO 0.06 0.08 0.11 -0.07 0.00 0.00 0.00 178.15 178.33 2o3f h LEU 28 N 0.46 0.76 -0.57 1.44 3.38 -1.08 -1.18 115.31 118.52 2o3f h LEU 28 Ca 0.13 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 2o3f h LEU 28 Cb -0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2o3f h LEU 28 CO -0.03 0.76 -0.53 0.00 0.09 0.00 0.00 178.44 178.72 2o3f h ALA 29 N 1.34 0.75 -2.09 1.53 0.00 -0.83 -3.39 119.26 116.58 2o3f h ALA 29 Ca 0.17 -0.50 -0.52 0.00 0.00 0.00 0.00 54.91 54.06 2o3f h ALA 29 Cb 0.32 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 17.61 2o3f h ALA 29 CO 0.00 0.68 -1.02 0.72 0.00 0.00 0.00 179.25 179.63 2o3f n HIS 30 N -3.96 1.32 0.18 0.00 8.25 0.62 -4.96 115.22 116.67 2o3f n HIS 30 Ca -0.03 -3.86 0.02 0.00 -0.26 0.00 0.00 57.72 53.59 2o3f n HIS 30 Cb 0.59 -0.44 0.33 0.00 1.12 0.00 0.00 29.99 31.59 2o3f n HIS 30 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2o3f h PRO 31 N 3.09 0.00 -1.00 -0.41 0.13 -1.43 -1.03 132.00 131.36 2o3f h PRO 31 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2o3f h PRO 31 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2o3f h PRO 31 CO 0.60 0.41 0.00 0.72 -0.23 0.00 0.00 178.00 179.50 2o3f n HIS 32 N -3.97 0.00 0.00 1.56 8.25 -1.26 -2.07 115.22 117.73 2o3f n HIS 32 Ca -0.02 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2o3f n HIS 32 Cb 0.45 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.49 2o3f n HIS 32 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2o3f n ALA 34 N 0.65 0.00 0.67 -1.41 0.00 -0.39 -3.40 120.51 116.63 2o3f n ALA 34 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2o3f n ALA 34 Cb 0.07 0.00 0.45 0.00 0.00 0.00 0.00 19.45 19.98 2o3f n ALA 34 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2o3f n ILE 35 N 0.00 0.59 -1.64 0.00 -5.35 -0.88 -2.18 119.36 109.89 2o3f n ILE 35 Ca 0.00 0.09 -0.08 0.00 -0.27 0.00 0.00 62.75 62.50 2o3f n ILE 35 Cb 0.00 -0.80 0.15 0.00 -1.74 0.00 0.00 39.64 37.25 2o3f n ILE 35 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 2o3f n GLU 36 N -1.71 2.25 -4.64 6.28 0.28 -1.22 -5.04 120.64 116.85 2o3f n GLU 36 Ca 0.05 -3.49 -0.29 0.00 -0.16 0.00 0.00 57.16 53.27 2o3f n GLU 36 Cb 0.27 -1.90 -0.14 0.00 1.43 0.00 0.00 31.44 31.10 2o3f n GLU 36 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2o3f s SER 37 N -3.00 3.14 0.80 -1.84 0.01 -0.93 -5.12 113.70 106.77 2o3f s SER 37 Ca 0.45 -0.66 -0.12 0.00 1.31 0.00 0.00 55.95 56.94 2o3f s SER 37 Cb 0.40 -0.25 0.07 0.00 0.21 0.00 0.00 66.02 66.46 2o3f s SER 37 CO -0.02 0.21 1.12 0.42 0.41 0.00 0.00 173.24 175.38 2o3f s THR 38 N -0.93 2.74 0.21 1.44 -4.23 -1.26 -4.88 115.64 108.72 2o3f s THR 38 Ca 0.12 0.24 -0.09 0.00 -1.18 0.00 0.00 61.69 60.78 2o3f s THR 38 Cb -0.10 -3.09 0.14 0.00 1.34 0.00 0.00 72.50 70.80 2o3f s THR 38 CO 0.04 -0.31 1.80 0.58 -0.54 0.00 0.00 174.62 176.19 2o3f h VAL 39 N -1.08 0.94 -0.73 2.29 2.07 -1.99 -1.09 116.25 116.66 2o3f h VAL 39 Ca -0.47 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2o3f h VAL 39 Cb 1.29 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 2o3f h VAL 39 CO 0.62 0.12 0.47 0.78 0.02 0.00 0.00 177.57 179.58 2o3f h ASN 40 N 0.65 0.85 -0.11 0.57 -0.26 -1.97 -1.28 115.58 114.05 2o3f h ASN 40 Ca 0.30 -0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.98 2o3f h ASN 40 Cb 0.21 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 37.26 2o3f h ASN 40 CO -0.20 0.63 -0.04 -0.33 -1.06 0.00 0.00 177.43 176.44 2o3f h GLU 41 N 0.99 0.21 -0.41 0.81 5.08 -1.83 -2.30 114.58 117.14 2o3f h GLU 41 Ca 0.27 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 2o3f h GLU 41 Cb -0.09 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2o3f h GLU 41 CO -0.06 0.54 -0.08 0.97 -1.00 0.00 0.00 179.01 179.38 2o3f h ILE 42 N -0.12 1.25 -0.56 3.13 6.09 -1.14 0.29 117.51 126.44 2o3f h ILE 42 Ca 0.03 -1.08 -0.11 0.00 -1.37 0.00 0.00 64.86 62.32 2o3f h ILE 42 Cb 0.46 1.02 -0.02 0.00 0.47 0.00 0.00 36.82 38.76 2o3f h ILE 42 CO 0.01 0.37 -0.09 0.77 -3.07 0.00 0.00 178.15 176.14 2o3f h SER 43 N 0.65 1.05 -0.58 2.19 4.64 -1.21 -1.58 113.55 118.71 2o3f h SER 43 Ca 0.12 -0.34 -0.03 0.00 -0.47 0.00 0.00 61.79 61.06 2o3f h SER 43 Cb 0.52 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 2o3f h SER 43 CO 0.03 1.14 0.24 0.00 -0.87 0.00 0.00 176.83 177.37 2o3f h ALA 44 N 0.94 0.75 -0.47 5.18 0.00 -1.11 0.87 119.26 125.42 2o3f h ALA 44 Ca 0.15 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2o3f h ALA 44 Cb 0.66 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2o3f h ALA 44 CO 0.05 0.35 0.09 -0.07 0.00 0.00 0.00 179.25 179.67 2o3f h LEU 45 N 0.79 0.67 -0.61 0.00 3.38 -0.68 -2.14 115.31 116.73 2o3f h LEU 45 Ca 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2o3f h LEU 45 Cb 0.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2o3f h LEU 45 CO -0.02 0.68 -0.08 0.00 0.09 0.00 0.00 178.44 179.11 2o3f n ALA 46 N -2.47 2.75 -3.68 1.53 0.00 -0.62 -4.94 120.51 113.08 2o3f n ALA 46 Ca 0.03 -0.37 -0.26 0.00 0.00 0.00 0.00 53.44 52.84 2o3f n ALA 46 Cb 0.23 -1.23 0.03 0.00 0.00 0.00 0.00 19.45 18.48 2o3f n ALA 46 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2o3f n ASN 47 N -0.37 -3.34 0.00 0.00 5.15 -0.81 -4.67 115.26 111.22 2o3f n ASN 47 Ca 0.17 -0.92 0.00 0.00 -0.60 0.00 0.00 54.58 53.23 2o3f n ASN 47 Cb 0.31 -3.74 0.00 0.00 -0.53 0.00 0.00 39.78 35.82 2o3f n ASN 47 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2o3f n SER 48 N -2.90 0.26 -4.35 1.20 2.88 0.24 -5.04 113.62 105.92 2o3f n SER 48 Ca -0.19 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.17 2o3f n SER 48 Cb 0.64 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.99 2o3f n SER 48 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2o3f s SER 49 N 1.00 2.01 0.18 -3.46 1.04 -1.26 -4.61 113.70 108.61 2o3f s SER 49 Ca 0.00 -1.21 -0.12 0.00 0.48 0.00 0.00 55.95 55.10 2o3f s SER 49 Cb 0.00 -0.03 0.14 0.00 0.10 0.00 0.00 66.02 66.23 2o3f s SER 49 CO 0.00 -0.48 1.81 0.44 0.98 0.00 0.00 173.24 175.99 2o3f h ASP 50 N 2.44 0.49 -0.71 7.02 3.32 -1.92 -2.31 116.42 124.75 2o3f h ASP 50 Ca -0.39 0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.69 2o3f h ASP 50 Cb 1.22 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.65 2o3f h ASP 50 CO 0.65 0.34 0.47 0.00 -1.72 0.00 0.00 179.24 178.98 2o3f h ALA 51 N 1.26 1.50 -0.16 3.45 0.00 -1.98 -2.01 119.26 121.32 2o3f h ALA 51 Ca 0.23 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2o3f h ALA 51 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2o3f h ALA 51 CO -0.12 0.46 -0.25 0.00 0.00 0.00 0.00 179.25 179.34 2o3f h ALA 52 N 1.56 1.28 -0.12 0.00 0.00 -1.82 -0.11 119.26 120.05 2o3f h ALA 52 Ca 0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2o3f h ALA 52 Cb -0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2o3f h ALA 52 CO -0.06 0.48 0.04 0.28 0.00 0.00 0.00 179.25 179.99 2o3f h VAL 53 N 0.26 1.18 -0.46 0.00 2.07 -0.92 0.17 116.25 118.56 2o3f h VAL 53 Ca 0.04 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2o3f h VAL 53 Cb 0.59 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2o3f h VAL 53 CO 0.04 0.16 0.23 0.40 0.02 0.00 0.00 177.57 178.42 2o3f h ILE 54 N 0.01 1.18 0.00 4.57 1.08 -1.14 -2.11 117.51 121.10 2o3f h ILE 54 Ca 0.04 -0.50 -0.10 0.00 -0.39 0.00 0.00 64.86 63.91 2o3f h ILE 54 Cb 0.22 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 2o3f h ILE 54 CO -0.00 0.20 -0.46 0.08 -0.69 0.00 0.00 178.15 177.28 2o3f h ARG 55 N 0.60 0.00 -0.35 2.37 0.11 -0.98 -2.64 114.38 113.49 2o3f h ARG 55 Ca 0.16 0.00 0.04 0.00 0.10 0.00 0.00 59.98 60.28 2o3f h ARG 55 Cb 0.11 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.15 2o3f h ARG 55 CO -0.02 0.46 0.13 1.25 0.10 0.00 0.00 179.97 181.89 2o3f h LEU 56 N 0.00 0.15 -1.02 0.08 5.85 -0.34 0.32 115.31 120.35 2o3f h LEU 56 Ca -0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2o3f h LEU 56 Cb 0.87 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2o3f h LEU 56 CO 0.06 0.12 0.00 0.00 -0.34 0.00 0.00 178.44 178.28 2o3f n SER 59 N 0.49 0.00 -0.24 0.00 7.64 0.10 -1.13 113.62 120.48 2o3f n SER 59 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 2o3f n SER 59 Cb 0.01 0.00 0.53 0.00 -1.01 0.00 0.00 64.21 63.74 2o3f n SER 59 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2o3f n LEU 60 N 0.00 0.87 0.00 -3.43 4.77 -0.97 -4.93 117.00 113.32 2o3f n LEU 60 Ca 0.00 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2o3f n LEU 60 Cb 0.00 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2o3f n LEU 60 CO 0.00 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 2o3f n GLY 61 N 1.26 0.42 3.93 -0.72 0.00 -1.01 -5.06 105.19 104.02 2o3f n GLY 61 Ca 0.15 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 2o3f n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2o3f s LEU 62 N 0.00 4.21 0.35 0.99 1.43 -0.29 -5.01 118.68 120.37 2o3f s LEU 62 Ca 0.00 0.38 0.27 0.00 -1.03 0.00 0.00 54.13 53.75 2o3f s LEU 62 Cb 0.00 -3.16 0.91 0.00 0.03 0.00 0.00 46.19 43.97 2o3f s LEU 62 CO 0.00 -0.07 1.78 0.11 0.23 0.00 0.00 176.35 178.40 2o3f h LYS 63 N 1.83 0.00 0.00 1.70 1.79 -1.95 -3.47 116.57 116.46 2o3f h LYS 63 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2o3f h LYS 63 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2o3f h LYS 63 CO 0.67 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.45 2o3f n GLY 64 N 0.55 -0.87 0.17 3.86 0.00 -1.26 -4.96 105.19 102.68 2o3f n GLY 64 Ca 0.03 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 2o3f n GLY 64 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2o3f h PHE 65 N 0.00 0.59 -0.74 1.61 3.57 -1.94 -2.06 116.94 117.98 2o3f h PHE 65 Ca 0.00 -0.28 0.05 0.00 3.53 0.00 0.00 57.97 61.26 2o3f h PHE 65 Cb 0.00 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 2o3f h PHE 65 CO 0.00 1.07 0.45 1.96 -2.23 0.00 0.00 178.31 179.56 2o3f h GLN 66 N 0.27 0.82 -0.67 1.11 1.08 -1.98 -2.50 115.11 113.25 2o3f h GLN 66 Ca -0.05 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 2o3f h GLN 66 Cb 1.40 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 28.61 2o3f h GLN 66 CO 0.14 0.55 0.43 0.22 -0.95 0.00 0.00 178.83 179.21 2o3f h ASP 67 N 0.85 0.78 -0.05 1.46 3.58 -1.85 -3.42 116.42 117.77 2o3f h ASP 67 Ca 0.31 -0.04 -0.39 0.00 0.42 0.00 0.00 57.03 57.34 2o3f h ASP 67 Cb 0.11 -0.20 0.08 0.00 1.72 0.00 0.00 39.33 41.05 2o3f h ASP 67 CO -0.15 0.58 0.98 -0.11 -2.88 0.00 0.00 179.24 177.67 2o3f n LEU 68 N -4.60 1.43 0.00 2.28 0.00 -0.80 -4.60 117.00 110.71 2o3f n LEU 68 Ca 0.05 -2.01 0.00 0.00 0.00 0.00 0.00 56.01 54.06 2o3f n LEU 68 Cb 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 43.42 42.44 2o3f n LEU 68 CO 0.36 -2.42 0.00 0.54 0.00 0.00 0.00 177.39 175.87 2o3f n ARG 71 N 7.98 0.00 -0.01 1.96 1.74 -1.26 -4.61 116.66 122.46 2o3f n ARG 71 Ca 0.45 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.40 2o3f n ARG 71 Cb 0.44 -0.68 -0.09 0.00 -1.02 0.00 0.00 32.46 31.10 2o3f n ARG 71 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2o3f h VAL 72 N 0.00 1.31 -1.00 1.55 2.07 -1.87 -2.50 116.25 115.80 2o3f h VAL 72 Ca 0.00 -0.93 0.18 0.00 0.82 0.00 0.00 66.70 66.76 2o3f h VAL 72 Cb 0.00 1.89 -0.10 0.00 -1.52 0.00 0.00 31.29 31.56 2o3f h VAL 72 CO 0.00 0.25 0.62 0.00 0.02 0.00 0.00 177.57 178.45 2o3f h ALA 73 N 0.62 1.64 -1.00 1.67 0.00 -1.92 -0.43 119.26 119.84 2o3f h ALA 73 Ca 0.01 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2o3f h ALA 73 Cb 0.41 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2o3f h ALA 73 CO 0.00 0.00 0.66 0.78 0.00 0.00 0.00 179.25 180.70 2o3f h GLY 74 N 0.81 1.44 1.12 0.00 0.00 -1.68 -1.01 103.07 103.75 2o3f h GLY 74 Ca 0.57 -0.51 -0.16 0.00 0.00 0.00 0.00 47.33 47.22 2o3f h GLY 74 CO -0.36 0.47 -0.38 -0.55 0.00 0.00 0.00 176.54 175.71 2o3f h ASP 75 N 1.31 0.99 0.27 0.19 3.32 -0.85 -3.03 116.42 118.62 2o3f h ASP 75 Ca 0.39 -0.47 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 2o3f h ASP 75 Cb -0.07 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.20 2o3f h ASP 75 CO -0.11 1.26 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.44 2o3f h LEU 76 N 0.75 0.00 -1.23 1.55 3.38 -0.66 -2.22 115.31 116.87 2o3f h LEU 76 Ca 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2o3f h LEU 76 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2o3f h LEU 76 CO 0.09 0.16 -0.37 0.00 0.09 0.00 0.00 178.44 178.41 2o3f h ALA 77 N 1.84 1.36 -2.76 1.53 0.00 -1.07 -3.38 119.26 116.77 2o3f h ALA 77 Ca -0.00 -0.34 -0.50 0.00 0.00 0.00 0.00 54.91 54.06 2o3f h ALA 77 Cb 0.34 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2o3f h ALA 77 CO 0.02 0.48 0.45 0.15 0.00 0.00 0.00 179.25 180.35 2o3f s LYS 78 N -4.19 4.61 0.30 0.00 1.02 -0.83 -4.92 119.74 115.73 2o3f s LYS 78 Ca -0.03 1.73 0.05 0.00 0.02 0.00 0.00 55.97 57.75 2o3f s LYS 78 Cb 0.14 -3.12 0.81 0.00 -0.52 0.00 0.00 37.83 35.15 2o3f s LYS 78 CO 0.73 0.20 1.64 -1.35 -0.92 0.00 0.00 175.35 175.66 2o3f h PRO 79 N 3.69 0.20 -0.81 -1.68 0.11 -1.88 -0.49 132.00 131.14 2o3f h PRO 79 Ca -0.47 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 65.82 2o3f h PRO 79 Cb 1.21 -0.05 -0.14 0.00 0.11 0.00 0.00 31.00 32.13 2o3f h PRO 79 CO 0.66 0.14 0.01 1.15 -0.21 0.00 0.00 178.00 179.75 2o3f h THR 80 N 0.21 0.27 -0.29 -1.15 2.02 -1.93 -2.82 112.91 109.23 2o3f h THR 80 Ca 0.60 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.75 2o3f h THR 80 Cb 1.27 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 2o3f h THR 80 CO -0.67 0.02 0.00 0.49 0.37 0.00 0.00 175.52 175.73 2o3f n PHE 81 N -5.37 0.37 -3.11 3.16 3.72 -0.27 -4.96 117.46 110.99 2o3f n PHE 81 Ca 0.16 -0.26 -0.37 0.00 -0.05 0.00 0.00 57.45 56.93 2o3f n PHE 81 Cb 0.53 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 39.00 2o3f n PHE 81 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2o3f s GLN 82 N -1.21 4.29 0.00 -1.08 -0.21 -0.75 -4.79 119.66 115.91 2o3f s GLN 82 Ca 0.28 0.89 0.00 0.00 0.02 0.00 0.00 55.36 56.55 2o3f s GLN 82 Cb 0.16 -2.98 0.00 0.00 1.00 0.00 0.00 33.01 31.19 2o3f s GLN 82 CO 0.23 0.45 0.00 0.41 -2.12 0.00 0.00 175.29 174.26