#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k42 s HIS 2 N 0.00 1.45 0.26 1.61 0.09 -1.26 -5.13 115.29 112.31 2k42 s HIS 2 Ca 0.00 -0.64 -0.30 0.00 -0.00 0.00 0.00 55.06 54.12 2k42 s HIS 2 Cb 0.00 -1.15 -0.09 0.00 -0.00 0.00 0.00 32.58 31.34 2k42 s HIS 2 CO 0.00 -0.41 1.02 0.00 -0.00 0.00 0.00 174.74 175.35 2k42 s MET 3 N 1.27 4.74 0.00 1.40 0.00 -1.26 -4.92 119.30 120.53 2k42 s MET 3 Ca -0.03 1.66 0.09 0.00 0.00 0.00 0.00 55.69 57.41 2k42 s MET 3 Cb -0.14 -3.23 0.43 0.00 0.00 0.00 0.00 34.83 31.89 2k42 s MET 3 CO -0.03 0.36 1.30 -1.13 0.00 0.00 0.00 175.02 175.51 2k42 n SER 4 N 1.33 0.64 0.00 -1.18 3.41 -1.26 -4.99 113.62 111.56 2k42 n SER 4 Ca -0.02 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 2k42 n SER 4 Cb 0.46 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 2k42 n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k42 n GLY 5 N 0.77 0.41 3.13 5.00 0.00 -1.26 -4.87 105.19 108.38 2k42 n GLY 5 Ca 0.08 -1.33 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 2k42 n GLY 5 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k42 s PHE 6 N 0.00 3.55 -1.14 1.61 0.08 -1.26 -5.01 117.98 115.80 2k42 s PHE 6 Ca 0.00 -2.35 -0.20 0.00 0.12 0.00 0.00 56.93 54.50 2k42 s PHE 6 Cb 0.00 -3.27 -0.05 0.00 -0.57 0.00 0.00 43.02 39.13 2k42 s PHE 6 CO 0.00 -0.97 1.93 0.36 -0.10 0.00 0.00 175.22 176.44 2k42 n LYS 7 N 4.56 2.14 -4.24 0.44 2.85 -1.26 -4.27 118.16 118.39 2k42 n LYS 7 Ca -0.02 -2.52 -0.30 0.00 -1.05 0.00 0.00 58.31 54.42 2k42 n LYS 7 Cb 0.41 -3.40 -0.08 0.00 -0.65 0.00 0.00 35.03 31.31 2k42 n LYS 7 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 2k42 n HIS 8 N 9.93 -1.35 1.84 5.58 1.44 -1.26 -4.81 115.22 126.60 2k42 n HIS 8 Ca 0.48 0.64 0.00 0.00 -2.01 0.00 0.00 57.72 56.83 2k42 n HIS 8 Cb 0.44 -3.01 0.00 0.00 0.12 0.00 0.00 29.99 27.54 2k42 n HIS 8 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 2k42 n VAL 9 N -4.55 0.00 0.00 0.61 0.24 -1.26 -4.88 118.33 108.49 2k42 n VAL 9 Ca -0.32 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2k42 n VAL 9 Cb 0.70 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 2k42 n VAL 9 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2k42 n SER 10 N -0.46 0.00 -0.37 -1.34 2.88 -1.26 -4.35 113.62 108.72 2k42 n SER 10 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 2k42 n SER 10 Cb 0.02 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.59 2k42 n SER 10 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2k42 h HIS 11 N 0.00 1.27 0.00 0.66 6.17 -1.92 -3.45 115.15 117.87 2k42 h HIS 11 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 2k42 h HIS 11 Cb 0.00 -0.42 0.00 0.00 2.52 0.00 0.00 27.41 29.51 2k42 h HIS 11 CO 0.00 0.81 0.00 0.28 0.71 0.00 0.00 177.93 179.73 2k42 n VAL 12 N -4.37 0.00 -1.71 5.26 0.31 -1.26 -1.67 118.33 114.89 2k42 n VAL 12 Ca 0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.42 2k42 n VAL 12 Cb 0.03 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.93 2k42 n VAL 12 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k42 n GLY 13 N 0.00 0.24 3.32 2.92 0.00 -1.26 -4.94 105.19 105.47 2k42 n GLY 13 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2k42 n GLY 13 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2k42 s TRP 14 N 0.00 2.64 -0.12 1.61 -0.00 -0.67 -0.06 118.94 122.34 2k42 s TRP 14 Ca 0.00 -0.72 -0.01 0.00 -0.00 0.00 0.00 56.10 55.37 2k42 s TRP 14 Cb 0.00 -1.72 -0.02 0.00 -0.00 0.00 0.00 33.47 31.72 2k42 s TRP 14 CO 0.00 -0.23 -0.09 0.34 -0.00 0.00 0.00 176.95 176.97 2k42 s ASP 15 N 0.10 4.40 0.50 5.86 -1.08 0.95 -4.95 116.67 122.46 2k42 s ASP 15 Ca -0.09 -0.19 0.23 0.00 -0.52 0.00 0.00 52.55 51.98 2k42 s ASP 15 Cb -0.15 -1.51 1.30 0.00 -1.46 0.00 0.00 42.92 41.10 2k42 s ASP 15 CO 0.06 0.22 1.96 1.55 0.52 0.00 0.00 175.17 179.48 2k42 h PRO 16 N 6.29 0.12 0.00 4.34 0.13 -1.98 0.31 132.00 141.22 2k42 h PRO 16 Ca -0.34 -0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 64.52 2k42 h PRO 16 Cb 1.19 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 2k42 h PRO 16 CO 0.57 0.08 -2.00 1.04 -0.23 0.00 0.00 178.00 177.46 2k42 n GLN 17 N -4.40 1.15 0.00 0.86 6.02 -1.26 -4.62 117.38 115.13 2k42 n GLN 17 Ca 0.12 0.04 0.11 0.00 -0.01 0.00 0.00 57.00 57.26 2k42 n GLN 17 Cb 0.62 -1.36 0.08 0.00 1.02 0.00 0.00 30.24 30.60 2k42 n GLN 17 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2k42 n ASN 18 N -2.75 0.82 0.00 1.08 3.02 -1.12 -4.36 115.26 111.95 2k42 n ASN 18 Ca -0.27 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 2k42 n ASN 18 Cb 0.91 0.59 0.00 0.00 -0.61 0.00 0.00 39.78 40.67 2k42 n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k42 n GLY 19 N 1.49 -1.73 3.77 7.41 0.00 0.11 -4.42 105.19 111.82 2k42 n GLY 19 Ca 0.05 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 2k42 n GLY 19 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k42 s PHE 20 N 0.00 3.35 -0.37 1.61 0.08 0.19 -0.03 117.98 122.81 2k42 s PHE 20 Ca 0.00 1.64 -0.26 0.00 0.12 0.00 0.00 56.93 58.43 2k42 s PHE 20 Cb 0.00 -3.29 0.02 0.00 -0.57 0.00 0.00 43.02 39.18 2k42 s PHE 20 CO 0.00 -0.81 0.93 0.34 -0.10 0.00 0.00 175.22 175.58 2k42 s ASP 21 N -1.10 6.68 0.50 1.36 -1.08 0.92 -4.24 116.67 119.70 2k42 s ASP 21 Ca 0.51 0.59 0.29 0.00 -0.52 0.00 0.00 52.55 53.42 2k42 s ASP 21 Cb -0.29 -2.47 1.11 0.00 -1.46 0.00 0.00 42.92 39.81 2k42 s ASP 21 CO 0.37 -0.86 1.89 -0.37 0.52 0.00 0.00 175.17 176.72 2k42 h VAL 22 N 5.83 0.23 0.00 1.11 -1.51 -1.89 -0.20 116.25 119.82 2k42 h VAL 22 Ca -0.23 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.44 2k42 h VAL 22 Cb 1.08 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 2k42 h VAL 22 CO 0.98 0.09 -1.28 -0.46 -1.23 0.00 0.00 177.57 175.67 2k42 n ASN 23 N -3.22 0.53 -1.43 4.19 6.94 -1.26 -3.71 115.26 117.30 2k42 n ASN 23 Ca 0.01 -0.22 0.09 0.00 -0.02 0.00 0.00 54.58 54.44 2k42 n ASN 23 Cb 0.37 1.12 0.33 0.00 -2.36 0.00 0.00 39.78 39.24 2k42 n ASN 23 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2k42 n ASN 24 N -2.04 4.46 -4.76 0.53 5.03 -0.90 -5.00 115.26 112.57 2k42 n ASN 24 Ca 0.00 -2.38 -0.37 0.00 0.87 0.00 0.00 54.58 52.70 2k42 n ASN 24 Cb 0.47 -0.54 0.02 0.00 -1.02 0.00 0.00 39.78 38.71 2k42 n ASN 24 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2k42 s LEU 25 N -1.72 3.87 0.08 3.41 1.43 -0.14 -4.81 118.68 120.80 2k42 s LEU 25 Ca 0.48 2.46 -0.26 0.00 -1.03 0.00 0.00 54.13 55.78 2k42 s LEU 25 Cb 0.30 -4.35 -0.06 0.00 0.03 0.00 0.00 46.19 42.11 2k42 s LEU 25 CO 0.24 -1.30 0.81 -0.62 0.23 0.00 0.00 176.35 175.71 2k42 s ASP 26 N -1.31 7.30 0.22 2.29 2.15 -1.26 -4.91 116.67 121.15 2k42 s ASP 26 Ca 0.70 1.55 -0.16 0.00 0.43 0.00 0.00 52.55 55.06 2k42 s ASP 26 Cb -0.32 -2.50 0.24 0.00 -0.30 0.00 0.00 42.92 40.04 2k42 s ASP 26 CO 0.38 0.03 1.57 -0.65 -0.17 0.00 0.00 175.17 176.33 2k42 h PRO 27 N 5.42 -0.05 -0.39 4.34 0.11 -1.96 0.37 132.00 139.84 2k42 h PRO 27 Ca -0.44 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.51 2k42 h PRO 27 Cb 1.21 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2k42 h PRO 27 CO 0.70 -0.03 -0.37 -0.44 -0.21 0.00 0.00 178.00 177.65 2k42 h ASP 28 N -0.05 1.00 -0.37 -2.05 3.32 -1.97 -0.71 116.42 115.59 2k42 h ASP 28 Ca 0.33 -0.46 0.03 0.00 0.02 0.00 0.00 57.03 56.95 2k42 h ASP 28 Cb 0.59 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 2k42 h ASP 28 CO -0.87 1.25 0.16 -0.07 -1.72 0.00 0.00 179.24 178.00 2k42 h LEU 29 N 0.76 0.21 -0.59 1.55 3.38 -1.62 -0.36 115.31 118.65 2k42 h LEU 29 Ca 0.06 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2k42 h LEU 29 Cb 0.96 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 2k42 h LEU 29 CO 0.09 0.16 0.37 -0.09 0.09 0.00 0.00 178.44 179.06 2k42 h ARG 30 N 0.33 0.70 -0.11 1.13 1.12 0.02 0.17 114.38 117.75 2k42 h ARG 30 Ca 0.16 -0.04 0.01 0.00 -1.11 0.00 0.00 59.98 59.00 2k42 h ARG 30 Cb 0.10 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 29.89 2k42 h ARG 30 CO -0.14 0.46 0.02 1.03 -3.11 0.00 0.00 179.97 178.24 2k42 h SER 31 N 0.72 0.00 0.61 -3.80 0.87 -0.82 -1.79 113.55 109.35 2k42 h SER 31 Ca 0.24 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.78 2k42 h SER 31 Cb 0.01 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2k42 h SER 31 CO -0.09 0.02 -0.29 0.25 -0.53 0.00 0.00 176.83 176.18 2k42 h LEU 32 N 0.06 -0.69 -1.03 2.23 7.12 -0.27 -1.52 115.31 121.21 2k42 h LEU 32 Ca 0.05 -0.00 0.10 0.00 0.13 0.00 0.00 57.88 58.16 2k42 h LEU 32 Cb 0.04 0.18 -0.08 0.00 -0.53 0.00 0.00 40.66 40.27 2k42 h LEU 32 CO -0.07 -0.44 0.63 -0.26 -0.13 0.00 0.00 178.44 178.17 2k42 h PHE 33 N -0.90 1.15 -0.51 1.25 0.04 -0.73 -0.31 116.94 116.93 2k42 h PHE 33 Ca -0.08 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 2k42 h PHE 33 Cb 0.66 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 2k42 h PHE 33 CO -0.02 0.50 0.21 1.03 -0.60 0.00 0.00 178.31 179.43 2k42 h SER 34 N 1.04 0.65 -0.37 2.17 0.87 -1.03 -1.97 113.55 114.92 2k42 h SER 34 Ca 0.47 -0.07 -0.15 0.00 -1.23 0.00 0.00 61.79 60.81 2k42 h SER 34 Cb 0.39 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2k42 h SER 34 CO -0.23 0.59 -0.34 0.03 -0.53 0.00 0.00 176.83 176.35 2k42 h ARG 35 N 0.72 0.88 0.00 2.24 3.08 -0.04 -3.12 114.38 118.13 2k42 h ARG 35 Ca 0.17 -0.46 -0.04 0.00 0.07 0.00 0.00 59.98 59.72 2k42 h ARG 35 Cb 0.14 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2k42 h ARG 35 CO -0.02 1.11 -0.21 0.00 -1.07 0.00 0.00 179.97 179.78 2k42 h ALA 36 N 0.76 1.62 0.00 0.04 0.00 -0.69 -3.46 119.26 117.53 2k42 h ALA 36 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k42 h ALA 36 Cb 0.93 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2k42 h ALA 36 CO 0.09 0.26 0.00 0.41 0.00 0.00 0.00 179.25 180.01 2k42 n GLY 37 N -0.90 1.46 3.58 0.00 0.00 -0.83 -5.05 105.19 103.45 2k42 n GLY 37 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2k42 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k42 s ILE 38 N -2.07 3.13 0.78 -0.61 1.01 -0.80 -4.95 121.20 117.68 2k42 s ILE 38 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.65 2k42 s ILE 38 Cb 0.00 -3.24 0.07 0.00 0.01 0.00 0.00 42.46 39.30 2k42 s ILE 38 CO 0.00 -0.19 1.14 -0.44 0.00 0.00 0.00 174.94 175.44 2k42 s SER 39 N 9.29 4.67 0.24 3.58 0.01 -1.26 -4.18 113.70 126.05 2k42 s SER 39 Ca 0.92 0.76 -0.05 0.00 1.31 0.00 0.00 55.95 58.88 2k42 s SER 39 Cb -0.23 -1.32 0.44 0.00 0.21 0.00 0.00 66.02 65.12 2k42 s SER 39 CO 0.30 -1.78 1.71 -0.08 0.41 0.00 0.00 173.24 173.80 2k42 h GLU 40 N -0.92 0.35 0.15 12.44 4.81 -1.98 -1.18 114.58 128.24 2k42 h GLU 40 Ca -0.46 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 2k42 h GLU 40 Cb 1.32 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 2k42 h GLU 40 CO 0.65 0.23 -0.23 0.00 -0.73 0.00 0.00 179.01 178.93 2k42 h ALA 41 N 1.56 -0.41 -0.87 2.92 0.00 -1.97 -2.19 119.26 118.29 2k42 h ALA 41 Ca 0.40 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.43 2k42 h ALA 41 Cb 0.64 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 2k42 h ALA 41 CO -0.44 -0.77 0.57 1.96 0.00 0.00 0.00 179.25 180.57 2k42 h GLN 42 N -0.45 0.54 0.00 0.00 4.20 -1.63 0.40 115.11 118.17 2k42 h GLN 42 Ca 0.02 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2k42 h GLN 42 Cb 0.45 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2k42 h GLN 42 CO -0.10 0.36 0.00 1.28 -0.67 0.00 0.00 178.83 179.69 2k42 n LEU 43 N -4.54 0.14 -0.61 1.46 4.77 -0.55 -1.31 117.00 116.36 2k42 n LEU 43 Ca 0.18 0.53 0.07 0.00 -0.03 0.00 0.00 56.01 56.76 2k42 n LEU 43 Cb 0.55 -0.50 0.19 0.00 -2.33 0.00 0.00 43.42 41.33 2k42 n LEU 43 CO 0.30 -0.25 0.64 0.35 -1.33 0.00 0.00 177.39 177.10 2k42 n THR 44 N -1.65 1.76 -3.77 -5.08 -2.24 0.13 0.52 114.28 103.96 2k42 n THR 44 Ca 0.04 -1.62 -0.33 0.00 -2.27 0.00 0.00 64.05 59.87 2k42 n THR 44 Cb 0.22 0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 2k42 n THR 44 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2k42 s ASP 45 N -1.74 6.47 0.00 3.42 1.01 -0.42 -4.58 116.67 120.83 2k42 s ASP 45 Ca 0.31 0.51 -0.04 0.00 0.71 0.00 0.00 52.55 54.04 2k42 s ASP 45 Cb 0.24 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 42.08 2k42 s ASP 45 CO 0.09 0.18 0.82 0.00 0.21 0.00 0.00 175.17 176.48 2k42 h ALA 46 N 3.49 -0.80 -0.72 5.23 0.00 -1.85 -2.42 119.26 122.20 2k42 h ALA 46 Ca -0.48 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 2k42 h ALA 46 Cb 1.18 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2k42 h ALA 46 CO 0.70 -0.79 0.19 1.05 0.00 0.00 0.00 179.25 180.40 2k42 h GLU 47 N -0.19 1.13 0.23 0.00 9.09 -1.92 -1.40 114.58 121.53 2k42 h GLU 47 Ca -0.02 -0.26 0.01 0.00 0.05 0.00 0.00 59.36 59.14 2k42 h GLU 47 Cb 0.12 -0.16 -0.04 0.00 -1.65 0.00 0.00 28.75 27.02 2k42 h GLU 47 CO 0.03 0.99 -0.44 1.15 0.05 0.00 0.00 179.01 180.79 2k42 h THR 48 N 1.08 0.13 -0.50 -1.06 2.02 -1.84 -1.78 112.91 110.97 2k42 h THR 48 Ca 0.23 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.36 2k42 h THR 48 Cb 0.35 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 2k42 h THR 48 CO -0.00 0.00 0.12 0.28 0.37 0.00 0.00 175.52 176.29 2k42 h SER 49 N -0.75 0.70 -0.59 4.18 0.02 -1.18 -1.63 113.55 114.32 2k42 h SER 49 Ca -0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2k42 h SER 49 Cb 0.72 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 2k42 h SER 49 CO -0.18 0.69 0.32 0.50 -1.14 0.00 0.00 176.83 177.02 2k42 h LYS 50 N 0.74 0.82 -0.50 3.45 3.64 -1.03 -0.20 116.57 123.47 2k42 h LYS 50 Ca 0.16 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 2k42 h LYS 50 Cb 0.27 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2k42 h LYS 50 CO -0.00 0.62 0.06 -0.07 -2.27 0.00 0.00 179.45 177.79 2k42 h LEU 51 N 0.79 0.82 -0.29 5.20 4.07 -0.88 -1.21 115.31 123.81 2k42 h LEU 51 Ca 0.21 -0.27 0.03 0.00 0.08 0.00 0.00 57.88 57.93 2k42 h LEU 51 Cb 0.04 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.53 2k42 h LEU 51 CO -0.03 0.88 0.09 0.40 -1.08 0.00 0.00 178.44 178.70 2k42 h ILE 52 N 0.72 0.91 -0.46 1.22 2.04 -0.89 0.51 117.51 121.56 2k42 h ILE 52 Ca 0.15 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 2k42 h ILE 52 Cb 0.43 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2k42 h ILE 52 CO 0.01 0.04 0.23 0.22 0.00 0.00 0.00 178.15 178.65 2k42 h TYR 53 N 0.21 0.66 -0.40 1.37 3.20 -0.92 0.16 116.97 121.26 2k42 h TYR 53 Ca 0.13 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.02 2k42 h TYR 53 Cb 0.11 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 2k42 h TYR 53 CO -0.14 0.52 0.13 0.22 -1.64 0.00 0.00 178.16 177.25 2k42 h ASP 54 N 0.60 0.13 -0.21 -2.11 3.58 -0.92 -0.67 116.42 116.81 2k42 h ASP 54 Ca 0.16 0.05 0.05 0.00 0.42 0.00 0.00 57.03 57.71 2k42 h ASP 54 Cb 0.11 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.14 2k42 h ASP 54 CO -0.02 0.11 -0.12 0.15 -2.88 0.00 0.00 179.24 176.48 2k42 h PHE 55 N 0.28 -0.29 -0.69 0.28 3.57 0.68 0.14 116.94 120.91 2k42 h PHE 55 Ca 0.18 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.72 2k42 h PHE 55 Cb 0.17 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 2k42 h PHE 55 CO -0.16 -0.18 0.45 0.82 -2.23 0.00 0.00 178.31 177.01 2k42 h ILE 56 N -0.10 1.14 -0.13 1.41 2.04 -0.27 -0.07 117.51 121.54 2k42 h ILE 56 Ca 0.12 -0.31 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 2k42 h ILE 56 Cb 0.28 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2k42 h ILE 56 CO -0.28 0.17 -0.40 -0.08 0.00 0.00 0.00 178.15 177.56 2k42 h GLU 57 N 0.90 0.28 -0.24 2.37 4.81 -0.72 0.23 114.58 122.22 2k42 h GLU 57 Ca 0.26 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2k42 h GLU 57 Cb -0.06 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2k42 h GLU 57 CO -0.08 0.64 -0.21 0.22 -0.73 0.00 0.00 179.01 178.85 2k42 h ASP 58 N 0.24 0.44 1.04 1.04 3.58 0.28 -2.18 116.42 120.86 2k42 h ASP 58 Ca 0.02 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.34 2k42 h ASP 58 Cb 0.81 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.75 2k42 h ASP 58 CO 0.06 0.66 -0.05 0.00 -2.88 0.00 0.00 179.24 177.03 2k42 n GLN 59 N -4.15 0.05 0.00 0.28 1.13 -0.14 -4.90 117.38 109.65 2k42 n GLN 59 Ca -0.00 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 2k42 n GLN 59 Cb 0.37 -1.56 0.00 0.00 0.11 0.00 0.00 30.24 29.17 2k42 n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k42 n GLY 60 N 1.46 1.84 0.00 1.08 0.00 -0.82 -4.67 105.19 104.09 2k42 n GLY 60 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2k42 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k42 n GLY 61 N -0.03 0.77 0.34 -0.02 0.00 0.76 -4.74 105.19 102.27 2k42 n GLY 61 Ca 0.00 -2.06 -0.14 0.00 0.00 0.00 0.00 46.02 43.82 2k42 n GLY 61 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k42 h LEU 62 N 0.00 -0.68 -2.07 0.99 3.38 -1.91 -2.31 115.31 112.71 2k42 h LEU 62 Ca 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2k42 h LEU 62 Cb 0.00 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2k42 h LEU 62 CO 0.00 -0.30 -0.08 -0.33 0.09 0.00 0.00 178.44 177.82 2k42 h GLU 63 N -1.14 0.00 0.22 1.13 3.07 -1.92 -1.71 114.58 114.24 2k42 h GLU 63 Ca -0.08 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 2k42 h GLU 63 Cb 0.66 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 2k42 h GLU 63 CO 0.13 0.08 -0.10 0.00 -1.40 0.00 0.00 179.01 177.72 2k42 h ALA 64 N 1.92 -0.29 0.00 3.43 0.00 -1.82 -2.35 119.26 120.15 2k42 h ALA 64 Ca -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2k42 h ALA 64 Cb 0.19 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2k42 h ALA 64 CO 0.01 -0.56 -0.08 -0.39 0.00 0.00 0.00 179.25 178.23 2k42 h VAL 65 N -0.50 0.21 -0.69 0.00 -1.51 -0.97 -0.43 116.25 112.37 2k42 h VAL 65 Ca -0.03 -0.70 -0.00 0.00 -1.23 0.00 0.00 66.70 64.73 2k42 h VAL 65 Cb 0.37 1.58 -0.03 0.00 -2.13 0.00 0.00 31.29 31.08 2k42 h VAL 65 CO 0.05 0.08 0.42 0.03 -1.23 0.00 0.00 177.57 176.91 2k42 h ARG 66 N 0.00 0.93 -0.03 5.19 3.08 -1.11 -2.79 114.38 119.66 2k42 h ARG 66 Ca -0.00 -0.08 -0.24 0.00 0.07 0.00 0.00 59.98 59.73 2k42 h ARG 66 Cb 0.57 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.44 2k42 h ARG 66 CO 0.01 0.65 -0.95 1.96 -1.07 0.00 0.00 179.97 180.57 2k42 h GLN 67 N 0.95 0.60 -0.60 0.04 1.08 -0.56 -3.18 115.11 113.45 2k42 h GLN 67 Ca 0.25 -0.61 0.14 0.00 -1.45 0.00 0.00 58.65 56.98 2k42 h GLN 67 Cb -0.04 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 2k42 h GLN 67 CO -0.05 1.22 0.41 0.93 -0.95 0.00 0.00 178.83 180.40 2k42 h GLU 68 N 0.35 0.19 -1.00 1.46 4.39 -1.14 0.14 114.58 118.97 2k42 h GLU 68 Ca -0.10 -0.01 0.26 0.00 0.34 0.00 0.00 59.36 59.85 2k42 h GLU 68 Cb 1.59 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 30.13 2k42 h GLU 68 CO 0.18 0.12 0.67 0.52 -1.16 0.00 0.00 179.01 179.35 2k42 h MET 69 N 0.19 0.26 0.00 2.33 2.86 -1.48 0.11 114.93 119.20 2k42 h MET 69 Ca 0.29 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 2k42 h MET 69 Cb 0.86 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.42 2k42 h MET 69 CO -0.05 0.17 -0.52 2.89 1.06 0.00 0.00 176.91 180.46 2k42 n ARG 70 N -4.46 1.33 0.00 1.72 1.85 0.36 -4.89 116.66 112.58 2k42 n ARG 70 Ca 0.22 -3.04 0.00 0.00 -1.00 0.00 0.00 57.85 54.04 2k42 n ARG 70 Cb 0.90 -1.39 0.00 0.00 -1.05 0.00 0.00 32.46 30.92 2k42 n ARG 70 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2k42 n ARG 71 N -0.93 0.00 0.00 2.89 0.63 0.30 -5.07 116.66 114.48 2k42 n ARG 71 Ca 0.17 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.17 2k42 n ARG 71 Cb 0.74 0.00 0.42 0.00 0.45 0.00 0.00 32.46 34.08 2k42 n ARG 71 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06