#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 2.75 -2.57 1.61 4.02 -1.26 -4.69 115.29 115.15 2k42 s HIS 2 Ca 0.00 -1.08 0.25 0.00 1.02 0.00 0.00 55.06 55.25 2k42 s HIS 2 Cb 0.00 -4.56 0.74 0.00 -1.02 0.00 0.00 32.58 27.74 2k42 s HIS 2 CO 0.00 -1.78 1.56 -0.12 1.02 0.00 0.00 174.74 175.43 2k42 n MET 3 N 8.04 1.91 0.30 1.40 0.00 -1.26 -4.09 117.12 123.41 2k42 n MET 3 Ca 0.31 -1.33 0.17 0.00 -0.00 0.00 0.00 57.70 56.85 2k42 n MET 3 Cb 0.50 -1.46 0.93 0.00 0.00 0.00 0.00 33.22 33.19 2k42 n MET 3 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2k42 h SER 4 N 3.06 0.00 0.00 6.12 4.64 -2.04 -3.45 113.55 121.88 2k42 h SER 4 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k42 h SER 4 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2k42 h SER 4 CO 0.00 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 2k42 n GLY 5 N -0.85 0.90 3.57 -0.77 0.00 -1.26 -5.03 105.19 101.76 2k42 n GLY 5 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 1.96 -0.30 1.61 0.40 -1.26 -4.65 117.98 113.74 2k42 s PHE 6 Ca 0.00 0.38 0.06 0.00 -0.60 0.00 0.00 56.93 56.76 2k42 s PHE 6 Cb 0.00 -4.07 0.19 0.00 0.51 0.00 0.00 43.02 39.65 2k42 s PHE 6 CO 0.00 -1.43 0.57 -1.59 0.70 0.00 0.00 175.22 173.47 2k42 s LYS 7 N 6.49 0.56 -1.34 0.44 -2.85 -1.26 -4.94 119.74 116.83 2k42 s LYS 7 Ca 0.68 0.43 -0.06 0.00 -1.00 0.00 0.00 55.97 56.01 2k42 s LYS 7 Cb -0.02 0.16 0.02 0.00 -2.06 0.00 0.00 37.83 35.93 2k42 s LYS 7 CO 0.08 -1.06 1.02 1.58 0.10 0.00 0.00 175.35 177.07 2k42 n HIS 8 N 5.33 -2.44 -3.95 1.78 -0.00 -1.26 -4.98 115.22 109.71 2k42 n HIS 8 Ca 0.05 0.95 -0.34 0.00 -0.00 0.00 0.00 57.72 58.38 2k42 n HIS 8 Cb 0.54 -4.75 -0.14 0.00 -0.00 0.00 0.00 29.99 25.64 2k42 n HIS 8 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2k42 s VAL 9 N -3.38 2.68 -1.30 3.57 -7.23 -1.26 -4.94 120.40 108.54 2k42 s VAL 9 Ca 0.35 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 2k42 s VAL 9 Cb -0.16 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.05 2k42 s VAL 9 CO 0.76 -0.34 0.61 -1.20 -0.31 0.00 0.00 175.10 174.63 2k42 n SER 10 N 4.48 0.67 -0.06 4.85 7.64 -1.26 -1.72 113.62 128.21 2k42 n SER 10 Ca -0.07 -1.90 -0.14 0.00 1.01 0.00 0.00 58.87 57.78 2k42 n SER 10 Cb 0.42 -0.33 -0.14 0.00 -1.01 0.00 0.00 64.21 63.15 2k42 n SER 10 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2k42 n HIS 11 N -0.13 0.54 0.00 1.43 8.25 -1.26 -4.96 115.22 119.09 2k42 n HIS 11 Ca 0.00 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 2k42 n HIS 11 Cb 0.17 -1.09 0.00 0.00 1.12 0.00 0.00 29.99 30.19 2k42 n HIS 11 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2k42 n VAL 12 N -3.11 0.00 0.00 1.59 0.31 -0.70 -1.64 118.33 114.78 2k42 n VAL 12 Ca -0.32 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 2k42 n VAL 12 Cb 1.07 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.00 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 0.00 3.19 2.92 0.00 -1.26 -4.90 105.19 105.14 2k42 n GLY 13 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 1.58 -0.05 1.61 -0.00 -0.65 0.15 118.94 121.58 2k42 s TRP 14 Ca 0.00 -0.34 0.04 0.00 -0.00 0.00 0.00 56.10 55.80 2k42 s TRP 14 Cb 0.00 -0.97 -0.00 0.00 -0.00 0.00 0.00 33.47 32.50 2k42 s TRP 14 CO 0.00 0.04 -0.18 0.34 -0.00 0.00 0.00 176.95 177.15 2k42 s ASP 15 N -0.88 2.29 0.24 5.86 2.15 0.13 -4.96 116.67 121.49 2k42 s ASP 15 Ca 0.06 -0.38 -0.10 0.00 0.43 0.00 0.00 52.55 52.56 2k42 s ASP 15 Cb -0.08 -0.73 0.35 0.00 -0.30 0.00 0.00 42.92 42.17 2k42 s ASP 15 CO 0.01 0.15 1.61 1.55 -0.17 0.00 0.00 175.17 178.32 2k42 h PRO 16 N 6.37 0.03 -0.02 4.34 0.13 -1.98 0.68 132.00 141.55 2k42 h PRO 16 Ca -0.31 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2k42 h PRO 16 Cb 1.18 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k42 h PRO 16 CO 0.48 0.02 -0.09 0.94 -0.23 0.00 0.00 178.00 179.11 2k42 n GLN 17 N -5.45 1.74 -0.02 0.86 -0.06 -1.26 -4.36 117.38 108.83 2k42 n GLN 17 Ca 0.11 -1.53 -0.00 0.00 -2.00 0.00 0.00 57.00 53.58 2k42 n GLN 17 Cb 0.41 -1.38 -0.06 0.00 -4.06 0.00 0.00 30.24 25.15 2k42 n GLN 17 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 2k42 n ASN 18 N 0.87 3.10 0.00 1.69 5.03 -0.61 -4.72 115.26 120.62 2k42 n ASN 18 Ca 0.11 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.56 2k42 n ASN 18 Cb 0.48 0.99 0.00 0.00 -1.02 0.00 0.00 39.78 40.24 2k42 n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k42 n GLY 19 N 2.31 -1.77 3.76 7.41 0.00 0.23 -4.47 105.19 112.66 2k42 n GLY 19 Ca -0.08 -1.94 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 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 3.70 -0.70 1.61 0.08 0.17 -0.70 117.98 122.14 2k42 s PHE 20 Ca 0.00 1.77 -0.26 0.00 0.12 0.00 0.00 56.93 58.56 2k42 s PHE 20 Cb 0.00 -3.16 -0.02 0.00 -0.57 0.00 0.00 43.02 39.27 2k42 s PHE 20 CO 0.00 -0.20 1.79 -0.51 -0.10 0.00 0.00 175.22 176.20 2k42 s ASP 21 N -1.05 5.40 0.00 1.36 1.01 0.12 -4.62 116.67 118.90 2k42 s ASP 21 Ca 0.44 -0.03 0.09 0.00 0.71 0.00 0.00 52.55 53.77 2k42 s ASP 21 Cb -0.29 -2.54 0.45 0.00 1.01 0.00 0.00 42.92 41.55 2k42 s ASP 21 CO 0.37 -2.35 1.20 1.33 0.21 0.00 0.00 175.17 175.93 2k42 n VAL 22 N 7.23 0.93 1.00 -1.27 0.24 -1.26 -0.18 118.33 125.02 2k42 n VAL 22 Ca 0.23 0.23 0.10 0.00 -2.04 0.00 0.00 64.34 62.86 2k42 n VAL 22 Cb 0.51 -1.08 -0.08 0.00 -1.47 0.00 0.00 33.84 31.72 2k42 n VAL 22 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2k42 n ASN 23 N -1.34 0.97 -0.19 -1.34 6.94 -1.26 -4.15 115.26 114.89 2k42 n ASN 23 Ca 0.04 -0.93 0.05 0.00 -0.02 0.00 0.00 54.58 53.71 2k42 n ASN 23 Cb 0.08 0.90 0.09 0.00 -2.36 0.00 0.00 39.78 38.49 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 -1.46 2.41 -4.73 0.53 3.02 0.75 -5.05 115.26 110.73 2k42 n ASN 24 Ca 0.04 -2.43 -0.42 0.00 -0.03 0.00 0.00 54.58 51.75 2k42 n ASN 24 Cb 0.33 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.26 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 -1.74 4.38 0.25 3.41 1.43 -0.57 -4.94 118.68 120.89 2k42 s LEU 25 Ca 0.17 2.58 -0.30 0.00 -1.03 0.00 0.00 54.13 55.55 2k42 s LEU 25 Cb 0.13 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.66 2k42 s LEU 25 CO 0.04 -0.74 1.16 -0.62 0.23 0.00 0.00 176.35 176.42 2k42 s ASP 26 N 0.80 7.15 0.62 2.29 -1.08 -1.26 -4.82 116.67 120.36 2k42 s ASP 26 Ca 0.64 2.31 0.26 0.00 -0.52 0.00 0.00 52.55 55.24 2k42 s ASP 26 Cb -0.42 -2.62 1.31 0.00 -1.46 0.00 0.00 42.92 39.74 2k42 s ASP 26 CO 0.36 -0.27 1.74 -0.65 0.52 0.00 0.00 175.17 176.87 2k42 h PRO 27 N 4.27 0.00 0.10 4.34 0.11 -1.97 0.51 132.00 139.36 2k42 h PRO 27 Ca -0.46 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.40 2k42 h PRO 27 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k42 h PRO 27 CO 0.69 0.00 -1.24 0.22 -0.21 0.00 0.00 178.00 177.47 2k42 h ASP 28 N 0.00 0.34 -0.48 -2.05 3.58 -1.99 -2.59 116.42 113.24 2k42 h ASP 28 Ca 0.18 -0.85 0.06 0.00 0.42 0.00 0.00 57.03 56.85 2k42 h ASP 28 Cb 1.38 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 42.26 2k42 h ASP 28 CO -0.00 1.54 0.18 -0.07 -2.88 0.00 0.00 179.24 178.01 2k42 h LEU 29 N -0.40 0.19 -1.62 2.28 4.07 -1.49 0.18 115.31 118.51 2k42 h LEU 29 Ca -0.27 0.06 0.09 0.00 0.08 0.00 0.00 57.88 57.84 2k42 h LEU 29 Cb 1.67 0.04 -0.04 0.00 1.08 0.00 0.00 40.66 43.41 2k42 h LEU 29 CO 0.05 0.14 0.39 -0.09 -1.08 0.00 0.00 178.44 177.85 2k42 h ARG 30 N 0.35 0.43 0.28 1.13 1.12 -0.15 -0.90 114.38 116.64 2k42 h ARG 30 Ca 0.23 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 59.06 2k42 h ARG 30 Cb 0.23 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.10 2k42 h ARG 30 CO -0.23 0.28 -0.14 1.03 -3.11 0.00 0.00 179.97 177.81 2k42 h SER 31 N 0.44 -0.32 0.41 -3.80 0.87 -0.90 -3.28 113.55 106.98 2k42 h SER 31 Ca 0.27 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2k42 h SER 31 Cb 0.47 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2k42 h SER 31 CO -0.07 0.14 -0.20 0.25 -0.53 0.00 0.00 176.83 176.42 2k42 h LEU 32 N -0.90 -0.48 -1.11 2.23 5.85 -0.29 -2.47 115.31 118.14 2k42 h LEU 32 Ca -0.04 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 2k42 h LEU 32 Cb 0.51 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 2k42 h LEU 32 CO 0.06 -0.34 0.10 -0.26 -0.34 0.00 0.00 178.44 177.67 2k42 h PHE 33 N -0.56 0.76 -0.50 1.25 0.04 -1.37 0.24 116.94 116.80 2k42 h PHE 33 Ca -0.06 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.59 2k42 h PHE 33 Cb 0.43 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 2k42 h PHE 33 CO -0.05 0.65 0.06 0.77 -0.60 0.00 0.00 178.31 179.14 2k42 h SER 34 N 0.71 0.74 1.11 2.17 0.02 -1.59 0.80 113.55 117.52 2k42 h SER 34 Ca 0.16 -0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 2k42 h SER 34 Cb 0.28 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2k42 h SER 34 CO -0.00 0.77 -0.51 0.03 -1.14 0.00 0.00 176.83 175.98 2k42 h ARG 35 N 0.75 0.00 -0.00 3.45 3.08 -0.60 -3.09 114.38 117.97 2k42 h ARG 35 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2k42 h ARG 35 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2k42 h ARG 35 CO 0.01 0.51 -0.09 0.00 -1.07 0.00 0.00 179.97 179.33 2k42 n ALA 36 N -2.28 2.73 -0.50 0.04 0.00 0.68 -4.89 120.51 116.29 2k42 n ALA 36 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2k42 n ALA 36 Cb 0.66 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 1.26 1.08 3.58 0.00 0.00 -0.72 -4.98 105.19 105.41 2k42 n GLY 37 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.16 3.50 0.81 -0.61 1.01 0.20 -4.99 121.20 117.96 2k42 s ILE 38 Ca 0.00 0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.97 2k42 s ILE 38 Cb 0.00 -3.91 0.09 0.00 0.01 0.00 0.00 42.46 38.66 2k42 s ILE 38 CO 0.00 -0.74 1.17 -0.55 0.00 0.00 0.00 174.94 174.82 2k42 s SER 39 N 6.56 4.36 0.32 3.58 0.15 -1.26 -4.11 113.70 123.30 2k42 s SER 39 Ca 0.70 0.63 0.06 0.00 0.70 0.00 0.00 55.95 58.04 2k42 s SER 39 Cb -0.16 -1.09 0.72 0.00 -1.71 0.00 0.00 66.02 63.79 2k42 s SER 39 CO 0.27 -1.97 1.84 -0.08 1.20 0.00 0.00 173.24 174.50 2k42 h GLU 40 N -1.05 0.78 -0.04 5.44 4.81 -1.98 -0.86 114.58 121.68 2k42 h GLU 40 Ca -0.45 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2k42 h GLU 40 Cb 1.31 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 2k42 h GLU 40 CO 0.61 0.52 0.03 0.00 -0.73 0.00 0.00 179.01 179.43 2k42 h ALA 41 N 1.59 0.05 -0.70 2.92 0.00 -1.95 -2.69 119.26 118.48 2k42 h ALA 41 Ca 0.49 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.40 2k42 h ALA 41 Cb 0.69 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2k42 h ALA 41 CO -0.26 -0.43 0.46 1.96 0.00 0.00 0.00 179.25 180.98 2k42 h GLN 42 N 0.02 0.86 0.00 0.00 4.20 -1.53 0.70 115.11 119.36 2k42 h GLN 42 Ca 0.02 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2k42 h GLN 42 Cb 0.03 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 2k42 h GLN 42 CO -0.00 0.57 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.59 2k42 h LEU 43 N 0.88 0.00 -3.23 1.46 3.38 -1.10 -1.94 115.31 114.76 2k42 h LEU 43 Ca 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2k42 h LEU 43 Cb -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2k42 h LEU 43 CO -0.07 0.06 -0.01 0.35 0.09 0.00 0.00 178.44 178.87 2k42 n THR 44 N -3.30 2.25 -3.72 0.22 -2.24 0.08 0.45 114.28 108.02 2k42 n THR 44 Ca -0.01 -2.02 -0.36 0.00 -2.27 0.00 0.00 64.05 59.38 2k42 n THR 44 Cb 0.24 -0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.14 2k42 n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k42 s ASP 45 N -2.14 6.38 0.07 3.42 2.15 -0.28 -4.50 116.67 121.77 2k42 s ASP 45 Ca 0.41 0.44 -0.27 0.00 0.43 0.00 0.00 52.55 53.57 2k42 s ASP 45 Cb 0.34 -2.12 -0.12 0.00 -0.30 0.00 0.00 42.92 40.72 2k42 s ASP 45 CO 0.07 0.26 1.42 0.00 -0.17 0.00 0.00 175.17 176.75 2k42 h ALA 46 N 5.88 -0.97 -0.08 3.66 0.00 -1.86 0.50 119.26 126.39 2k42 h ALA 46 Ca -0.47 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 2k42 h ALA 46 Cb 1.19 0.71 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 2k42 h ALA 46 CO 0.68 -1.04 -0.10 1.05 0.00 0.00 0.00 179.25 179.84 2k42 h GLU 47 N -0.67 0.21 -0.02 0.00 9.09 -1.94 -2.87 114.58 118.38 2k42 h GLU 47 Ca -0.03 -0.12 0.03 0.00 0.05 0.00 0.00 59.36 59.29 2k42 h GLU 47 Cb 0.62 0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 27.69 2k42 h GLU 47 CO -0.14 0.67 -0.21 1.15 0.05 0.00 0.00 179.01 180.53 2k42 h THR 48 N -0.23 0.49 -0.12 -1.06 2.02 -1.81 -2.14 112.91 110.06 2k42 h THR 48 Ca 0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 2k42 h THR 48 Cb 0.64 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 2k42 h THR 48 CO 0.02 0.00 0.04 -1.28 0.37 0.00 0.00 175.52 174.67 2k42 h SER 49 N -0.33 0.18 0.32 4.18 0.87 0.05 0.42 113.55 119.23 2k42 h SER 49 Ca 0.07 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.37 2k42 h SER 49 Cb 0.42 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2k42 h SER 49 CO -0.21 0.33 -0.27 0.50 -0.53 0.00 0.00 176.83 176.65 2k42 h LYS 50 N 0.02 0.00 0.00 2.24 3.64 -1.49 -0.39 116.57 120.59 2k42 h LYS 50 Ca 0.04 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 2k42 h LYS 50 Cb 0.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2k42 h LYS 50 CO -0.00 0.27 -0.64 -0.07 -2.27 0.00 0.00 179.45 176.73 2k42 h LEU 51 N 0.00 0.00 -0.31 5.20 3.38 -0.99 0.43 115.31 123.01 2k42 h LEU 51 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2k42 h LEU 51 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2k42 h LEU 51 CO 0.03 0.43 0.10 0.40 0.09 0.00 0.00 178.44 179.49 2k42 h ILE 52 N 0.00 1.20 -0.23 1.22 2.04 -0.20 0.14 117.51 121.67 2k42 h ILE 52 Ca -0.03 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.18 2k42 h ILE 52 Cb 1.36 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 2k42 h ILE 52 CO 0.05 0.22 0.12 0.22 0.00 0.00 0.00 178.15 178.77 2k42 h TYR 53 N 0.35 0.23 -0.88 1.37 3.20 -0.84 0.59 116.97 121.00 2k42 h TYR 53 Ca 0.10 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.07 2k42 h TYR 53 Cb 0.25 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.37 2k42 h TYR 53 CO 0.01 0.13 0.52 0.22 -1.64 0.00 0.00 178.16 177.40 2k42 h ASP 54 N 0.26 0.77 0.02 -2.11 1.82 -0.10 0.19 116.42 117.27 2k42 h ASP 54 Ca 0.09 0.04 0.02 0.00 -0.39 0.00 0.00 57.03 56.79 2k42 h ASP 54 Cb 0.01 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 39.89 2k42 h ASP 54 CO -0.06 0.44 -0.13 0.15 -1.61 0.00 0.00 179.24 178.04 2k42 h PHE 55 N 0.88 -0.33 -0.62 0.28 3.57 0.15 0.28 116.94 121.15 2k42 h PHE 55 Ca 0.42 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.87 2k42 h PHE 55 Cb 0.36 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 2k42 h PHE 55 CO -0.04 -0.19 0.14 0.82 -2.23 0.00 0.00 178.31 176.81 2k42 h ILE 56 N -0.23 1.25 -0.60 1.41 2.04 -0.19 -2.38 117.51 118.82 2k42 h ILE 56 Ca 0.04 -0.94 -0.08 0.00 1.00 0.00 0.00 64.86 64.89 2k42 h ILE 56 Cb 0.27 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2k42 h ILE 56 CO -0.12 0.35 0.07 -0.08 0.00 0.00 0.00 178.15 178.37 2k42 h GLU 57 N 0.91 0.98 -0.44 2.37 4.57 -0.47 -0.97 114.58 121.53 2k42 h GLU 57 Ca 0.19 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2k42 h GLU 57 Cb 0.37 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 2k42 h GLU 57 CO 0.00 0.93 0.28 0.22 -1.18 0.00 0.00 179.01 179.26 2k42 h ASP 58 N 0.92 0.51 1.03 1.04 3.58 0.05 -1.25 116.42 122.30 2k42 h ASP 58 Ca 0.18 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2k42 h ASP 58 Cb 0.44 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2k42 h ASP 58 CO 0.01 0.38 0.00 0.00 -2.88 0.00 0.00 179.24 176.75 2k42 n GLN 59 N -4.46 0.04 0.00 0.28 1.13 -0.95 -4.85 117.38 108.57 2k42 n GLN 59 Ca 0.04 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 2k42 n GLN 59 Cb 0.06 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 28.87 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 1.37 1.63 0.00 1.08 0.00 -0.48 -4.79 105.19 104.00 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 -0.74 0.65 0.37 -0.02 0.00 -0.39 -4.44 105.19 100.63 2k42 n GLY 61 Ca 0.00 -2.14 -0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 1.01 -2.18 0.99 4.07 -1.89 -2.18 115.31 115.13 2k42 h LEU 62 Ca 0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 2k42 h LEU 62 Cb 0.00 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.49 2k42 h LEU 62 CO 0.00 0.73 -0.00 -0.33 -1.08 0.00 0.00 178.44 177.76 2k42 h GLU 63 N 1.19 0.00 0.13 1.13 4.39 -1.94 -1.75 114.58 117.74 2k42 h GLU 63 Ca 0.33 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.02 2k42 h GLU 63 Cb -0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2k42 h GLU 63 CO -0.08 0.00 -0.06 0.00 -1.16 0.00 0.00 179.01 177.71 2k42 h ALA 64 N 2.00 -0.18 -0.69 3.43 0.00 -1.61 -3.13 119.26 119.09 2k42 h ALA 64 Ca -0.00 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.74 2k42 h ALA 64 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2k42 h ALA 64 CO 0.00 -0.30 0.45 0.28 0.00 0.00 0.00 179.25 179.68 2k42 h VAL 65 N -0.77 1.00 -0.11 0.00 2.07 -1.44 0.27 116.25 117.27 2k42 h VAL 65 Ca -0.02 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.30 2k42 h VAL 65 Cb 0.54 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2k42 h VAL 65 CO 0.03 0.12 0.08 0.03 0.02 0.00 0.00 177.57 177.86 2k42 h ARG 66 N 0.68 0.00 0.00 1.57 3.08 -1.35 -1.73 114.38 116.63 2k42 h ARG 66 Ca 0.30 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.16 2k42 h ARG 66 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 2k42 h ARG 66 CO -0.10 0.00 -1.69 1.04 -1.07 0.00 0.00 179.97 178.15 2k42 n GLN 67 N -4.35 0.64 0.24 0.04 6.02 0.74 -3.94 117.38 116.77 2k42 n GLN 67 Ca -0.00 0.12 0.08 0.00 -0.01 0.00 0.00 57.00 57.19 2k42 n GLN 67 Cb 0.20 -1.71 0.60 0.00 1.02 0.00 0.00 30.24 30.34 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 -0.39 -1.09 4.39 -0.11 -0.29 114.58 117.10 2k42 h GLU 68 Ca -0.22 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.59 2k42 h GLU 68 Cb 1.65 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.28 2k42 h GLU 68 CO 0.04 0.13 0.46 0.52 -1.16 0.00 0.00 179.01 179.00 2k42 h MET 69 N 0.00 0.00 0.00 2.33 2.86 -1.56 0.15 114.93 118.71 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 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2k42 h MET 69 CO 0.02 0.00 -0.03 2.89 1.06 0.00 0.00 176.91 180.85 2k42 n ARG 70 N -3.63 1.82 0.00 1.72 1.85 -0.21 -4.89 116.66 113.32 2k42 n ARG 70 Ca 0.07 -2.01 0.00 0.00 -1.00 0.00 0.00 57.85 54.91 2k42 n ARG 70 Cb 0.62 -1.22 0.00 0.00 -1.05 0.00 0.00 32.46 30.81 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 -0.95 0.00 0.00 2.89 0.00 0.34 -5.11 116.66 113.83 2k42 n ARG 71 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 2k42 n ARG 71 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.95 2k42 n ARG 71 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57