#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k42 h HIS 2 N 0.00 0.25 0.00 1.61 -0.00 -2.09 -3.41 115.15 111.52 2k42 h HIS 2 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 60.37 60.19 2k42 h HIS 2 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.40 2k42 h HIS 2 CO 0.00 1.15 -0.83 -0.12 -0.00 0.00 0.00 177.93 178.13 2k42 n MET 3 N -3.43 0.48 -3.03 5.26 0.00 -1.26 -5.05 117.12 110.09 2k42 n MET 3 Ca -0.05 0.00 -0.36 0.00 -0.00 0.00 0.00 57.70 57.29 2k42 n MET 3 Cb 0.99 -0.91 -0.06 0.00 0.00 0.00 0.00 33.22 33.23 2k42 n MET 3 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2k42 s SER 4 N -3.66 7.07 0.00 6.12 1.04 -1.26 -5.01 113.70 118.00 2k42 s SER 4 Ca 0.00 1.49 0.00 0.00 0.48 0.00 0.00 55.95 57.92 2k42 s SER 4 Cb 0.00 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.67 2k42 s SER 4 CO 0.00 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.80 2k42 n GLY 5 N 0.51 -2.17 3.32 7.32 0.00 -1.26 -2.85 105.19 110.06 2k42 n GLY 5 Ca -0.00 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 2k42 n GLY 5 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k42 s PHE 6 N -2.24 3.30 -1.09 1.61 2.19 -1.26 -5.00 117.98 115.48 2k42 s PHE 6 Ca 0.00 -1.27 -0.23 0.00 0.33 0.00 0.00 56.93 55.76 2k42 s PHE 6 Cb 0.00 -2.99 -0.05 0.00 -1.31 0.00 0.00 43.02 38.67 2k42 s PHE 6 CO 0.00 -0.81 1.90 -1.59 1.83 0.00 0.00 175.22 176.55 2k42 s LYS 7 N 1.51 2.68 0.21 10.12 -2.85 -1.26 -4.82 119.74 125.33 2k42 s LYS 7 Ca 0.03 -0.92 -0.13 0.00 -1.00 0.00 0.00 55.97 53.95 2k42 s LYS 7 Cb -0.23 -5.21 0.00 0.00 -2.06 0.00 0.00 37.83 30.33 2k42 s LYS 7 CO 0.04 -3.56 0.44 -3.38 0.10 0.00 0.00 175.35 168.99 2k42 s HIS 8 N 9.89 0.22 0.00 1.78 -3.43 -1.26 -2.44 115.29 120.05 2k42 s HIS 8 Ca 0.67 -0.57 0.00 0.00 -0.80 0.00 0.00 55.06 54.35 2k42 s HIS 8 Cb -0.02 0.18 0.00 0.00 -1.43 0.00 0.00 32.58 31.31 2k42 s HIS 8 CO 0.07 -0.89 0.00 1.55 -2.00 0.00 0.00 174.74 173.47 2k42 n VAL 9 N -0.32 0.00 0.18 -5.38 3.14 -1.26 -4.97 118.33 109.73 2k42 n VAL 9 Ca -0.06 0.00 0.15 0.00 -2.96 0.00 0.00 64.34 61.47 2k42 n VAL 9 Cb 0.62 0.00 0.74 0.00 -1.06 0.00 0.00 33.84 34.14 2k42 n VAL 9 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 2k42 h SER 10 N 0.00 0.00 0.00 6.55 0.02 -2.01 -3.45 113.55 114.66 2k42 h SER 10 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k42 h SER 10 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2k42 h SER 10 CO 0.00 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 177.10 2k42 n HIS 11 N -4.20 0.00 -0.95 3.45 8.25 -1.26 -4.11 115.22 116.40 2k42 n HIS 11 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2k42 n HIS 11 Cb 0.29 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 30.81 2k42 n HIS 11 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2k42 n VAL 12 N -2.00 0.00 -0.66 1.59 3.14 -1.26 -0.59 118.33 118.55 2k42 n VAL 12 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2k42 n VAL 12 Cb 0.00 -0.95 0.00 0.00 -1.06 0.00 0.00 33.84 31.83 2k42 n VAL 12 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k42 n GLY 13 N 0.79 0.60 3.65 7.55 0.00 -1.26 -4.87 105.19 111.66 2k42 n GLY 13 Ca 0.00 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.00 3.20 -0.07 1.61 -0.00 0.24 -0.58 118.94 121.34 2k42 s TRP 14 Ca 0.00 0.10 0.04 0.00 -0.00 0.00 0.00 56.10 56.25 2k42 s TRP 14 Cb 0.00 -1.91 -0.02 0.00 -0.00 0.00 0.00 33.47 31.55 2k42 s TRP 14 CO 0.00 0.32 -0.20 0.34 -0.00 0.00 0.00 176.95 177.41 2k42 s ASP 15 N -0.34 3.49 0.53 5.86 -1.08 0.11 -4.96 116.67 120.28 2k42 s ASP 15 Ca 0.08 -0.40 0.27 0.00 -0.52 0.00 0.00 52.55 51.98 2k42 s ASP 15 Cb -0.12 -0.97 1.42 0.00 -1.46 0.00 0.00 42.92 41.79 2k42 s ASP 15 CO 0.02 0.26 1.97 1.55 0.52 0.00 0.00 175.17 179.48 2k42 h PRO 16 N 5.98 0.00 0.00 4.34 0.13 -1.96 0.36 132.00 140.86 2k42 h PRO 16 Ca -0.35 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.50 2k42 h PRO 16 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2k42 h PRO 16 CO 0.49 0.00 -2.03 1.04 -0.23 0.00 0.00 178.00 177.28 2k42 n GLN 17 N -4.34 0.44 0.14 0.86 6.02 -1.26 -4.66 117.38 114.57 2k42 n GLN 17 Ca 0.12 0.12 0.02 0.00 -0.01 0.00 0.00 57.00 57.25 2k42 n GLN 17 Cb 0.71 -1.32 0.12 0.00 1.02 0.00 0.00 30.24 30.77 2k42 n GLN 17 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2k42 h ASN 18 N -0.16 0.00 0.00 1.08 4.21 -1.84 -3.40 115.58 115.47 2k42 h ASN 18 Ca -0.42 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.09 2k42 h ASN 18 Cb 1.57 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.77 2k42 h ASN 18 CO -0.12 0.55 0.00 0.61 -1.29 0.00 0.00 177.43 177.18 2k42 n GLY 19 N 0.84 -1.36 3.67 2.83 0.00 0.13 -4.52 105.19 106.77 2k42 n GLY 19 Ca 0.01 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 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 3.18 -0.44 1.61 0.40 0.32 0.06 117.98 123.11 2k42 s PHE 20 Ca 0.00 1.29 -0.28 0.00 -0.60 0.00 0.00 56.93 57.35 2k42 s PHE 20 Cb 0.00 -3.36 -0.02 0.00 0.51 0.00 0.00 43.02 40.15 2k42 s PHE 20 CO 0.00 -1.00 1.85 0.34 0.70 0.00 0.00 175.22 177.11 2k42 s ASP 21 N 1.48 5.60 0.09 1.36 -1.08 0.25 -4.46 116.67 119.92 2k42 s ASP 21 Ca 0.51 0.94 0.17 0.00 -0.52 0.00 0.00 52.55 53.64 2k42 s ASP 21 Cb -0.20 -2.53 0.72 0.00 -1.46 0.00 0.00 42.92 39.45 2k42 s ASP 21 CO 0.14 -2.01 1.52 1.33 0.52 0.00 0.00 175.17 176.68 2k42 n VAL 22 N 7.37 1.00 0.11 1.11 0.24 -1.26 -1.82 118.33 125.07 2k42 n VAL 22 Ca 0.23 0.27 -0.24 0.00 -2.04 0.00 0.00 64.34 62.55 2k42 n VAL 22 Cb 0.49 -1.09 -0.15 0.00 -1.47 0.00 0.00 33.84 31.61 2k42 n VAL 22 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 2k42 h ASN 23 N 0.00 0.74 -0.53 -1.34 -1.24 -1.98 -3.33 115.58 107.89 2k42 h ASN 23 Ca 0.00 -0.92 0.00 0.00 0.71 0.00 0.00 56.30 56.09 2k42 h ASN 23 Cb 0.27 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.08 2k42 h ASN 23 CO 0.00 1.75 0.00 0.59 -1.29 0.00 0.00 177.43 178.48 2k42 n ASN 24 N -3.65 4.34 -4.68 1.15 3.02 -0.76 -4.95 115.26 109.73 2k42 n ASN 24 Ca -0.21 -2.48 -0.42 0.00 -0.03 0.00 0.00 54.58 51.44 2k42 n ASN 24 Cb 1.09 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 39.67 2k42 n ASN 24 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2k42 s LEU 25 N -1.81 4.35 0.16 3.41 1.43 -0.78 -4.91 118.68 120.54 2k42 s LEU 25 Ca 0.44 2.38 -0.31 0.00 -1.03 0.00 0.00 54.13 55.61 2k42 s LEU 25 Cb 0.30 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.86 2k42 s LEU 25 CO 0.19 -0.86 1.54 -0.62 0.23 0.00 0.00 176.35 176.83 2k42 s ASP 26 N 2.45 6.61 0.54 2.29 -1.08 -1.26 -4.85 116.67 121.37 2k42 s ASP 26 Ca 0.72 2.59 0.30 0.00 -0.52 0.00 0.00 52.55 55.64 2k42 s ASP 26 Cb -0.37 -2.59 1.47 0.00 -1.46 0.00 0.00 42.92 39.96 2k42 s ASP 26 CO 0.31 -0.80 1.91 -0.65 0.52 0.00 0.00 175.17 176.46 2k42 h PRO 27 N 6.72 0.00 0.06 4.34 0.11 -1.97 0.30 132.00 141.56 2k42 h PRO 27 Ca -0.43 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.44 2k42 h PRO 27 Cb 1.21 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.34 2k42 h PRO 27 CO 0.90 0.00 -1.00 0.22 -0.21 0.00 0.00 178.00 177.92 2k42 h ASP 28 N 0.00 0.77 -0.20 -2.05 3.58 -1.99 0.18 116.42 116.71 2k42 h ASP 28 Ca 0.39 -0.80 -0.01 0.00 0.42 0.00 0.00 57.03 57.03 2k42 h ASP 28 Cb 1.57 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 2k42 h ASP 28 CO -0.00 1.48 0.08 -0.07 -2.88 0.00 0.00 179.24 177.84 2k42 h LEU 29 N 0.15 0.28 -1.12 2.28 3.38 -1.56 -2.58 115.31 116.14 2k42 h LEU 29 Ca -0.14 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 57.73 2k42 h LEU 29 Cb 1.69 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 42.30 2k42 h LEU 29 CO 0.19 0.37 0.60 -0.09 0.09 0.00 0.00 178.44 179.61 2k42 h ARG 30 N 0.16 0.99 -0.35 1.13 1.12 -0.47 0.09 114.38 117.05 2k42 h ARG 30 Ca 0.07 -0.06 0.05 0.00 -1.11 0.00 0.00 59.98 58.92 2k42 h ARG 30 Cb 0.19 -0.22 -0.04 0.00 -0.01 0.00 0.00 29.97 29.88 2k42 h ARG 30 CO -0.00 0.66 0.09 1.03 -3.11 0.00 0.00 179.97 178.63 2k42 h SER 31 N 1.02 0.05 0.13 -3.80 0.87 -0.66 -0.23 113.55 110.94 2k42 h SER 31 Ca 0.42 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 61.02 2k42 h SER 31 Cb 0.28 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2k42 h SER 31 CO -0.17 0.07 -0.06 0.25 -0.53 0.00 0.00 176.83 176.38 2k42 h LEU 32 N 0.22 -0.15 -0.71 2.23 5.85 -0.86 -1.58 115.31 120.32 2k42 h LEU 32 Ca 0.17 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 2k42 h LEU 32 Cb 0.17 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2k42 h LEU 32 CO -0.20 0.21 0.43 -0.26 -0.34 0.00 0.00 178.44 178.28 2k42 h PHE 33 N -0.53 0.93 -0.15 1.25 0.04 -0.91 0.44 116.94 118.02 2k42 h PHE 33 Ca -0.02 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.68 2k42 h PHE 33 Cb 0.42 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 2k42 h PHE 33 CO 0.04 0.63 -0.22 1.03 -0.60 0.00 0.00 178.31 179.18 2k42 h SER 34 N 0.97 0.26 1.12 2.17 0.87 -1.07 -0.32 113.55 117.55 2k42 h SER 34 Ca 0.26 -0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.63 2k42 h SER 34 Cb -0.04 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2k42 h SER 34 CO -0.05 0.49 -0.53 -0.09 -0.53 0.00 0.00 176.83 176.12 2k42 h ARG 35 N 0.24 0.00 -0.00 2.24 2.43 -0.03 -2.82 114.38 116.44 2k42 h ARG 35 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2k42 h ARG 35 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2k42 h ARG 35 CO 0.04 0.53 -0.04 0.00 -1.51 0.00 0.00 179.97 178.99 2k42 n ALA 36 N -2.28 2.64 -0.11 2.80 0.00 0.14 -4.88 120.51 118.82 2k42 n ALA 36 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2k42 n ALA 36 Cb 0.67 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2k42 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k42 n GLY 37 N 1.22 1.17 3.61 0.00 0.00 -1.00 -5.01 105.19 105.18 2k42 n GLY 37 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.55 4.01 0.83 -0.61 1.01 -0.19 -4.97 121.20 118.74 2k42 s ILE 38 Ca 0.00 1.07 -0.12 0.00 0.00 0.00 0.00 60.65 61.60 2k42 s ILE 38 Cb 0.00 -4.26 0.09 0.00 0.01 0.00 0.00 42.46 38.30 2k42 s ILE 38 CO 0.00 -0.73 1.12 -0.94 0.00 0.00 0.00 174.94 174.39 2k42 s SER 39 N 3.40 4.25 0.21 3.58 1.04 -1.26 -3.69 113.70 121.22 2k42 s SER 39 Ca 0.58 1.12 -0.09 0.00 0.48 0.00 0.00 55.95 58.04 2k42 s SER 39 Cb -0.13 -1.78 0.30 0.00 0.10 0.00 0.00 66.02 64.51 2k42 s SER 39 CO 0.30 -2.10 1.74 -0.33 0.98 0.00 0.00 173.24 173.82 2k42 h GLU 40 N -1.18 0.38 -0.65 4.02 3.07 -1.96 -0.98 114.58 117.28 2k42 h GLU 40 Ca -0.48 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.35 2k42 h GLU 40 Cb 1.29 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 29.09 2k42 h GLU 40 CO 0.61 0.25 0.37 0.00 -1.40 0.00 0.00 179.01 178.84 2k42 h ALA 41 N 1.44 0.83 -0.24 3.43 0.00 -1.97 -2.26 119.26 120.48 2k42 h ALA 41 Ca 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2k42 h ALA 41 Cb 0.42 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2k42 h ALA 41 CO -0.33 0.33 0.05 0.37 0.00 0.00 0.00 179.25 179.67 2k42 h GLN 42 N 0.88 0.34 0.00 0.00 4.15 -1.61 -0.01 115.11 118.87 2k42 h GLN 42 Ca 0.23 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.60 2k42 h GLN 42 Cb 0.02 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.65 2k42 h GLN 42 CO -0.04 0.33 0.00 -0.07 -1.93 0.00 0.00 178.83 177.12 2k42 h LEU 43 N 0.34 0.00 -2.23 -2.39 3.38 -0.62 -2.32 115.31 111.48 2k42 h LEU 43 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2k42 h LEU 43 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2k42 h LEU 43 CO -0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 2k42 n THR 44 N -2.69 0.51 -2.53 0.22 -2.24 -0.03 -0.52 114.28 107.00 2k42 n THR 44 Ca 0.01 -0.72 -0.42 0.00 -2.27 0.00 0.00 64.05 60.65 2k42 n THR 44 Cb 0.27 0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.46 7.22 0.13 3.42 1.01 -0.87 -4.41 116.67 121.71 2k42 s ASP 45 Ca 0.39 1.96 -0.30 0.00 0.71 0.00 0.00 52.55 55.32 2k42 s ASP 45 Cb 0.22 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.50 2k42 s ASP 45 CO 0.31 -0.32 1.58 0.00 0.21 0.00 0.00 175.17 176.96 2k42 h ALA 46 N 6.12 -0.64 -0.20 5.23 0.00 -1.89 0.12 119.26 128.00 2k42 h ALA 46 Ca -0.43 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 2k42 h ALA 46 Cb 1.21 0.77 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 2k42 h ALA 46 CO 0.76 -0.94 -0.20 1.05 0.00 0.00 0.00 179.25 179.92 2k42 h GLU 47 N -0.54 0.49 -0.17 0.00 9.09 -1.93 -1.40 114.58 120.12 2k42 h GLU 47 Ca 0.06 -0.26 0.05 0.00 0.05 0.00 0.00 59.36 59.26 2k42 h GLU 47 Cb 0.64 0.01 -0.05 0.00 -1.65 0.00 0.00 28.75 27.70 2k42 h GLU 47 CO -0.36 0.83 -0.17 1.15 0.05 0.00 0.00 179.01 180.52 2k42 h THR 48 N 0.16 0.55 -0.09 -1.06 2.02 -1.76 0.14 112.91 112.87 2k42 h THR 48 Ca 0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 2k42 h THR 48 Cb 0.74 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2k42 h THR 48 CO 0.05 0.00 0.01 0.77 0.37 0.00 0.00 175.52 176.72 2k42 h SER 49 N -0.19 0.14 -0.83 4.18 4.64 -0.77 -0.01 113.55 120.71 2k42 h SER 49 Ca 0.11 -0.26 0.06 0.00 -0.47 0.00 0.00 61.79 61.23 2k42 h SER 49 Cb 0.35 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.35 2k42 h SER 49 CO -0.29 0.37 0.54 0.50 -0.87 0.00 0.00 176.83 177.08 2k42 h LYS 50 N -0.09 0.89 0.00 4.77 3.64 -1.03 0.82 116.57 125.57 2k42 h LYS 50 Ca 0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2k42 h LYS 50 Cb 0.29 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2k42 h LYS 50 CO 0.00 0.59 -0.41 -0.07 -2.27 0.00 0.00 179.45 177.29 2k42 h LEU 51 N 0.92 0.00 0.05 5.20 3.38 -0.51 0.30 115.31 124.66 2k42 h LEU 51 Ca 0.36 -0.13 -0.27 0.00 0.09 0.00 0.00 57.88 57.92 2k42 h LEU 51 Cb 0.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.99 2k42 h LEU 51 CO -0.13 0.06 -1.18 0.40 0.09 0.00 0.00 178.44 177.68 2k42 h ILE 52 N 0.00 1.39 -0.16 1.22 2.04 0.12 -0.12 117.51 121.99 2k42 h ILE 52 Ca 0.00 -2.69 -0.02 0.00 1.00 0.00 0.00 64.86 63.16 2k42 h ILE 52 Cb 0.76 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.57 2k42 h ILE 52 CO 0.00 0.80 0.03 0.22 0.00 0.00 0.00 178.15 179.19 2k42 h TYR 53 N 0.18 0.28 -0.93 1.37 3.20 -0.73 0.17 116.97 120.51 2k42 h TYR 53 Ca -0.15 -0.04 0.18 0.00 3.14 0.00 0.00 58.73 61.87 2k42 h TYR 53 Cb 1.87 -0.08 -0.08 0.00 1.54 0.00 0.00 36.73 39.98 2k42 h TYR 53 CO 0.08 0.44 0.60 0.22 -1.64 0.00 0.00 178.16 177.86 2k42 h ASP 54 N 0.05 0.58 0.51 -2.11 3.58 -0.47 -0.22 116.42 118.34 2k42 h ASP 54 Ca 0.05 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 2k42 h ASP 54 Cb 0.31 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2k42 h ASP 54 CO 0.00 0.24 -0.24 0.15 -2.88 0.00 0.00 179.24 176.51 2k42 h PHE 55 N 0.59 -0.63 -0.90 0.28 3.57 -0.18 0.25 116.94 119.92 2k42 h PHE 55 Ca 0.49 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 62.06 2k42 h PHE 55 Cb 0.97 0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.85 2k42 h PHE 55 CO -0.00 -0.31 0.55 0.82 -2.23 0.00 0.00 178.31 177.14 2k42 h ILE 56 N -1.01 0.99 0.02 1.41 2.04 -0.36 0.13 117.51 120.73 2k42 h ILE 56 Ca -0.07 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2k42 h ILE 56 Cb 0.61 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2k42 h ILE 56 CO 0.11 0.18 -0.01 -0.33 0.00 0.00 0.00 178.15 178.10 2k42 h GLU 57 N 0.96 -0.02 -0.78 2.37 5.08 -1.04 -1.31 114.58 119.85 2k42 h GLU 57 Ca 0.41 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.92 2k42 h GLU 57 Cb 0.28 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 2k42 h GLU 57 CO -0.21 0.16 0.52 0.22 -1.00 0.00 0.00 179.01 178.70 2k42 h ASP 58 N -0.20 0.43 0.64 1.42 3.58 0.54 0.24 116.42 123.07 2k42 h ASP 58 Ca -0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2k42 h ASP 58 Cb 0.19 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2k42 h ASP 58 CO 0.00 0.22 0.00 0.00 -2.88 0.00 0.00 179.24 176.58 2k42 n GLN 59 N -4.49 0.07 0.00 0.28 1.13 0.37 -4.82 117.38 109.92 2k42 n GLN 59 Ca 0.15 0.29 0.00 0.00 -1.94 0.00 0.00 57.00 55.50 2k42 n GLN 59 Cb 0.53 -1.63 0.00 0.00 0.11 0.00 0.00 30.24 29.24 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 0.13 1.03 0.00 1.08 0.00 0.84 -4.86 105.19 103.41 2k42 n GLY 60 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.97 0.20 -0.02 0.00 -0.52 -4.51 105.19 101.32 2k42 n GLY 61 Ca 0.00 -2.07 -0.06 0.00 0.00 0.00 0.00 46.02 43.89 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 0.46 -1.59 0.99 3.38 -1.67 -2.09 115.31 114.79 2k42 h LEU 62 Ca 0.00 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2k42 h LEU 62 Cb 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2k42 h LEU 62 CO 0.00 0.32 -0.19 -0.33 0.09 0.00 0.00 178.44 178.34 2k42 h GLU 63 N 0.57 0.00 0.60 1.13 5.08 -1.91 -3.35 114.58 116.69 2k42 h GLU 63 Ca 0.20 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2k42 h GLU 63 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2k42 h GLU 63 CO -0.09 0.19 -0.45 0.00 -1.00 0.00 0.00 179.01 177.65 2k42 h ALA 64 N 1.81 -1.18 0.00 3.43 0.00 -1.69 -1.66 119.26 119.97 2k42 h ALA 64 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2k42 h ALA 64 Cb 0.51 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2k42 h ALA 64 CO 0.02 -1.18 -0.15 -0.39 0.00 0.00 0.00 179.25 177.56 2k42 h VAL 65 N -1.01 0.72 0.00 0.00 -1.51 -1.72 -0.60 116.25 112.13 2k42 h VAL 65 Ca -0.08 -0.62 -0.09 0.00 -1.23 0.00 0.00 66.70 64.68 2k42 h VAL 65 Cb 0.84 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 31.37 2k42 h VAL 65 CO 0.02 0.15 -0.41 0.03 -1.23 0.00 0.00 177.57 176.14 2k42 h ARG 66 N 0.00 0.00 0.00 5.19 3.08 -1.60 -2.92 114.38 118.13 2k42 h ARG 66 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2k42 h ARG 66 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2k42 h ARG 66 CO 0.02 0.41 -1.33 1.04 -1.07 0.00 0.00 179.97 179.04 2k42 n GLN 67 N -3.49 0.62 0.16 0.04 6.02 -0.34 -3.95 117.38 116.45 2k42 n GLN 67 Ca 0.00 0.11 0.13 0.00 -0.01 0.00 0.00 57.00 57.23 2k42 n GLN 67 Cb 0.55 -1.77 0.55 0.00 1.02 0.00 0.00 30.24 30.59 2k42 n GLN 67 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2k42 h GLU 68 N 0.00 0.00 0.00 -1.09 5.08 -1.07 0.11 114.58 117.61 2k42 h GLU 68 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2k42 h GLU 68 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 2k42 h GLU 68 CO 0.02 0.00 -0.04 0.52 -1.00 0.00 0.00 179.01 178.51 2k42 h MET 69 N 0.00 0.00 0.00 2.33 2.86 -1.68 -2.71 114.93 115.72 2k42 h MET 69 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k42 h MET 69 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2k42 h MET 69 CO 0.00 0.04 -0.13 0.54 1.06 0.00 0.00 176.91 178.42 2k42 n ARG 70 N -3.74 1.12 0.00 1.72 1.74 0.24 -4.90 116.66 112.84 2k42 n ARG 70 Ca -0.03 -1.79 0.00 0.00 -0.77 0.00 0.00 57.85 55.26 2k42 n ARG 70 Cb 0.13 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 2k42 n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2k42 n ARG 71 N -0.77 0.00 0.00 5.56 0.63 -0.32 -5.09 116.66 116.66 2k42 n ARG 71 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 2k42 n ARG 71 Cb 0.58 -0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.48 2k42 n ARG 71 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16