#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 0.20 -1.59 1.61 0.00 -1.26 -4.87 115.29 109.37 2k42 s HIS 2 Ca 0.00 -0.46 -0.04 0.00 -3.00 0.00 0.00 55.06 51.56 2k42 s HIS 2 Cb 0.00 -0.15 0.00 0.00 -4.00 0.00 0.00 32.58 28.44 2k42 s HIS 2 CO 0.00 -0.31 0.50 -1.33 -1.00 0.00 0.00 174.74 172.60 2k42 n MET 3 N 1.05 -4.31 0.00 -0.38 0.00 -1.26 -4.86 117.12 107.36 2k42 n MET 3 Ca -0.21 0.93 0.15 0.00 0.00 0.00 0.00 57.70 58.57 2k42 n MET 3 Cb 0.57 -5.74 0.71 0.00 0.00 0.00 0.00 33.22 28.76 2k42 n MET 3 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2k42 n SER 4 N -2.39 0.06 0.00 7.83 3.41 -1.26 -4.99 113.62 116.27 2k42 n SER 4 Ca -0.14 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 2k42 n SER 4 Cb 0.63 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 1.33 1.85 3.54 5.00 0.00 -1.26 -4.68 105.19 110.97 2k42 n GLY 5 Ca 0.13 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 3.12 -0.46 1.61 0.08 -1.26 -4.94 117.98 116.12 2k42 s PHE 6 Ca 0.00 0.14 -0.07 0.00 0.12 0.00 0.00 56.93 57.12 2k42 s PHE 6 Cb 0.00 -3.21 -0.19 0.00 -0.57 0.00 0.00 43.02 39.05 2k42 s PHE 6 CO 0.00 -0.73 3.38 0.36 -0.10 0.00 0.00 175.22 178.13 2k42 n LYS 7 N 6.10 2.51 -3.56 0.44 2.85 -1.26 -4.53 118.16 120.71 2k42 n LYS 7 Ca -0.02 -1.45 -0.19 0.00 -1.05 0.00 0.00 58.31 55.60 2k42 n LYS 7 Cb 0.48 -2.22 0.06 0.00 -0.65 0.00 0.00 35.03 32.70 2k42 n LYS 7 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2k42 n HIS 8 N 2.63 -2.06 -3.97 5.58 -0.00 -1.26 -5.00 115.22 111.14 2k42 n HIS 8 Ca 0.53 0.88 -0.35 0.00 -0.00 0.00 0.00 57.72 58.78 2k42 n HIS 8 Cb 0.71 -4.68 -0.10 0.00 -0.00 0.00 0.00 29.99 25.93 2k42 n HIS 8 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2k42 s VAL 9 N -3.52 4.76 -2.00 3.57 0.11 -1.26 -4.95 120.40 117.10 2k42 s VAL 9 Ca 0.03 -0.04 0.10 0.00 -2.93 0.00 0.00 61.98 59.14 2k42 s VAL 9 Cb -0.01 -3.15 0.29 0.00 -1.53 0.00 0.00 36.38 31.98 2k42 s VAL 9 CO 0.77 0.44 1.20 -1.20 -3.33 0.00 0.00 175.10 172.98 2k42 n SER 10 N 3.73 0.00 -0.14 3.54 7.64 -1.26 -2.22 113.62 124.91 2k42 n SER 10 Ca -0.16 -1.20 -0.12 0.00 1.01 0.00 0.00 58.87 58.40 2k42 n SER 10 Cb 0.52 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.71 2k42 n SER 10 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2k42 h HIS 11 N 0.00 1.08 -5.89 1.43 6.17 -1.93 -3.47 115.15 112.55 2k42 h HIS 11 Ca 0.00 -0.28 -0.28 0.00 0.71 0.00 0.00 60.37 60.52 2k42 h HIS 11 Cb 0.00 -0.25 -0.17 0.00 2.52 0.00 0.00 27.41 29.51 2k42 h HIS 11 CO 0.00 1.09 -0.41 1.55 0.71 0.00 0.00 177.93 180.87 2k42 n VAL 12 N -4.15 0.00 -1.91 5.26 3.14 -0.94 0.09 118.33 119.82 2k42 n VAL 12 Ca -0.01 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.20 2k42 n VAL 12 Cb 0.46 -0.22 -0.04 0.00 -1.06 0.00 0.00 33.84 32.98 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 -0.74 0.66 3.41 7.55 0.00 -1.26 -4.89 105.19 109.92 2k42 n GLY 13 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.63 2.58 -0.05 1.61 -0.00 0.11 -0.52 118.94 120.03 2k42 s TRP 14 Ca 0.00 -0.31 0.05 0.00 -0.00 0.00 0.00 56.10 55.84 2k42 s TRP 14 Cb 0.00 -1.60 -0.00 0.00 -0.00 0.00 0.00 33.47 31.87 2k42 s TRP 14 CO 0.00 0.07 -0.20 0.34 -0.00 0.00 0.00 176.95 177.16 2k42 s ASP 15 N -0.60 2.51 0.36 5.86 2.15 0.69 -4.92 116.67 122.73 2k42 s ASP 15 Ca 0.09 -0.42 0.19 0.00 0.43 0.00 0.00 52.55 52.84 2k42 s ASP 15 Cb -0.11 -0.76 1.23 0.00 -0.30 0.00 0.00 42.92 42.98 2k42 s ASP 15 CO 0.01 0.18 1.63 1.55 -0.17 0.00 0.00 175.17 178.36 2k42 h PRO 16 N 6.27 0.17 0.00 4.34 0.13 -1.98 0.33 132.00 141.27 2k42 h PRO 16 Ca -0.31 -0.01 -0.35 0.00 -0.87 0.00 0.00 66.00 64.46 2k42 h PRO 16 Cb 1.18 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 2k42 h PRO 16 CO 0.47 0.12 -2.25 1.04 -0.23 0.00 0.00 178.00 177.15 2k42 n GLN 17 N -5.07 0.52 0.00 0.86 6.02 -1.26 -4.53 117.38 113.92 2k42 n GLN 17 Ca 0.35 0.16 0.13 0.00 -0.01 0.00 0.00 57.00 57.62 2k42 n GLN 17 Cb 1.15 -1.39 0.47 0.00 1.02 0.00 0.00 30.24 31.49 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 -3.45 0.42 0.00 1.08 5.03 -1.11 -4.09 115.26 113.14 2k42 n ASN 18 Ca -0.41 -0.23 0.00 0.00 0.87 0.00 0.00 54.58 54.82 2k42 n ASN 18 Cb 0.88 -0.05 0.00 0.00 -1.02 0.00 0.00 39.78 39.59 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 1.42 -0.88 3.72 7.41 0.00 0.12 -4.27 105.19 112.69 2k42 n GLY 19 Ca 0.09 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 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 3.67 -1.14 1.61 0.40 0.88 -0.22 117.98 123.18 2k42 s PHE 20 Ca 0.00 1.67 -0.21 0.00 -0.60 0.00 0.00 56.93 57.79 2k42 s PHE 20 Cb 0.00 -3.15 0.01 0.00 0.51 0.00 0.00 43.02 40.39 2k42 s PHE 20 CO 0.00 -0.15 1.74 -0.51 0.70 0.00 0.00 175.22 177.00 2k42 s ASP 21 N 0.62 6.08 0.59 1.36 1.01 0.32 -4.40 116.67 122.24 2k42 s ASP 21 Ca 0.51 -1.73 0.29 0.00 0.71 0.00 0.00 52.55 52.33 2k42 s ASP 21 Cb -0.23 -2.58 1.54 0.00 1.01 0.00 0.00 42.92 42.66 2k42 s ASP 21 CO 0.29 -1.94 1.97 -0.37 0.21 0.00 0.00 175.17 175.34 2k42 h VAL 22 N 6.30 0.41 0.00 -1.27 -1.51 -1.90 0.45 116.25 118.73 2k42 h VAL 22 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.75 2k42 h VAL 22 Cb 0.94 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 2k42 h VAL 22 CO 1.36 0.00 -0.05 -0.46 -1.23 0.00 0.00 177.57 177.19 2k42 n ASN 23 N -3.75 0.06 -0.21 4.19 6.94 -1.26 -2.78 115.26 118.45 2k42 n ASN 23 Ca 0.06 0.43 0.06 0.00 -0.02 0.00 0.00 54.58 55.11 2k42 n ASN 23 Cb 0.53 -0.44 0.08 0.00 -2.36 0.00 0.00 39.78 37.59 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 -1.51 1.44 -4.77 0.53 3.02 0.13 -5.07 115.26 109.02 2k42 n ASN 24 Ca 0.07 -2.58 -0.37 0.00 -0.03 0.00 0.00 54.58 51.67 2k42 n ASN 24 Cb 0.34 -0.31 -0.06 0.00 -0.61 0.00 0.00 39.78 39.14 2k42 n ASN 24 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2k42 s LEU 25 N -1.68 4.34 0.18 3.41 2.96 0.18 -4.93 118.68 123.14 2k42 s LEU 25 Ca 0.18 0.75 -0.33 0.00 -0.22 0.00 0.00 54.13 54.52 2k42 s LEU 25 Cb 0.16 -2.53 -0.13 0.00 0.50 0.00 0.00 46.19 44.20 2k42 s LEU 25 CO 0.02 0.16 1.68 -0.67 -1.32 0.00 0.00 176.35 176.22 2k42 n ASP 26 N 2.92 3.70 0.05 3.68 -0.08 -1.26 -4.81 116.55 120.74 2k42 n ASP 26 Ca -0.12 1.06 0.18 0.00 -1.51 0.00 0.00 54.79 54.41 2k42 n ASP 26 Cb 0.52 -1.52 0.69 0.00 2.34 0.00 0.00 41.12 43.15 2k42 n ASP 26 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2k42 h PRO 27 N 6.62 0.00 0.02 -0.67 0.11 -1.97 0.24 132.00 136.35 2k42 h PRO 27 Ca -0.44 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.49 2k42 h PRO 27 Cb 1.22 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.35 2k42 h PRO 27 CO 0.93 0.00 -0.70 0.22 -0.21 0.00 0.00 178.00 178.24 2k42 h ASP 28 N 0.00 0.58 -0.63 -2.05 3.58 -1.99 0.47 116.42 116.38 2k42 h ASP 28 Ca 0.21 -0.78 0.01 0.00 0.42 0.00 0.00 57.03 56.89 2k42 h ASP 28 Cb 0.85 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.69 2k42 h ASP 28 CO -0.00 1.29 0.42 -0.07 -2.88 0.00 0.00 179.24 177.99 2k42 h LEU 29 N -0.06 0.72 -0.73 2.28 3.38 -1.76 -1.10 115.31 118.03 2k42 h LEU 29 Ca -0.09 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 57.93 2k42 h LEU 29 Cb 1.42 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.92 2k42 h LEU 29 CO 0.14 0.52 0.41 -0.09 0.09 0.00 0.00 178.44 179.50 2k42 h ARG 30 N 0.85 0.70 0.11 1.13 2.43 -0.41 0.15 114.38 119.34 2k42 h ARG 30 Ca 0.23 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2k42 h ARG 30 Cb -0.09 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 2k42 h ARG 30 CO -0.05 0.47 -0.05 1.03 -1.51 0.00 0.00 179.97 179.85 2k42 h SER 31 N 0.73 -0.13 0.51 -3.80 0.87 -0.52 -1.95 113.55 109.26 2k42 h SER 31 Ca 0.34 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.88 2k42 h SER 31 Cb 0.26 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2k42 h SER 31 CO -0.21 -0.09 -0.27 0.25 -0.53 0.00 0.00 176.83 175.98 2k42 h LEU 32 N -0.15 -0.65 -0.62 2.23 7.12 -0.20 0.20 115.31 123.24 2k42 h LEU 32 Ca -0.02 0.03 0.01 0.00 0.13 0.00 0.00 57.88 58.03 2k42 h LEU 32 Cb 0.12 0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 40.39 2k42 h LEU 32 CO 0.03 -0.44 0.41 -0.26 -0.13 0.00 0.00 178.44 178.04 2k42 h PHE 33 N -0.72 0.77 -0.26 1.25 0.04 -0.80 -1.12 116.94 116.10 2k42 h PHE 33 Ca -0.07 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.66 2k42 h PHE 33 Cb 0.57 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 2k42 h PHE 33 CO -0.06 0.49 -0.11 1.03 -0.60 0.00 0.00 178.31 179.06 2k42 h SER 34 N 0.84 0.41 0.34 2.17 0.87 -1.17 -0.97 113.55 116.03 2k42 h SER 34 Ca 0.23 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 2k42 h SER 34 Cb -0.09 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2k42 h SER 34 CO -0.05 0.56 -0.23 0.03 -0.53 0.00 0.00 176.83 176.61 2k42 h ARG 35 N 0.40 0.00 -0.45 2.24 3.08 0.36 -2.56 114.38 117.45 2k42 h ARG 35 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2k42 h ARG 35 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2k42 h ARG 35 CO 0.02 0.23 0.00 0.00 -1.07 0.00 0.00 179.97 179.15 2k42 n ALA 36 N -2.41 2.44 0.00 0.04 0.00 -0.47 -4.89 120.51 115.22 2k42 n ALA 36 Ca -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.64 2k42 n ALA 36 Cb 0.30 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 1.20 2.08 3.62 0.00 0.00 -0.96 -5.00 105.19 106.12 2k42 n GLY 37 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.33 3.72 0.83 -0.61 1.01 -0.63 -4.97 121.20 118.23 2k42 s ILE 38 Ca 0.00 0.78 -0.12 0.00 0.00 0.00 0.00 60.65 61.31 2k42 s ILE 38 Cb 0.00 -3.84 0.09 0.00 0.01 0.00 0.00 42.46 38.72 2k42 s ILE 38 CO 0.00 -0.44 1.10 -0.55 0.00 0.00 0.00 174.94 175.05 2k42 s SER 39 N 4.53 4.20 0.24 3.58 0.15 -1.26 -3.53 113.70 121.60 2k42 s SER 39 Ca 0.70 1.32 -0.07 0.00 0.70 0.00 0.00 55.95 58.60 2k42 s SER 39 Cb -0.21 -2.03 0.25 0.00 -1.71 0.00 0.00 66.02 62.32 2k42 s SER 39 CO 0.31 -2.16 1.91 -0.33 1.20 0.00 0.00 173.24 174.17 2k42 h GLU 40 N -1.22 1.21 -0.01 5.44 5.08 -1.97 0.17 114.58 123.27 2k42 h GLU 40 Ca -0.48 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 57.76 2k42 h GLU 40 Cb 1.28 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2k42 h GLU 40 CO 0.58 0.80 -0.22 0.00 -1.00 0.00 0.00 179.01 179.17 2k42 h ALA 41 N 1.36 1.61 0.00 3.43 0.00 -1.98 -1.71 119.26 121.96 2k42 h ALA 41 Ca 0.35 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2k42 h ALA 41 Cb -0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2k42 h ALA 41 CO -0.09 0.30 -0.24 0.37 0.00 0.00 0.00 179.25 179.59 2k42 h GLN 42 N 0.02 0.00 0.00 0.00 5.75 -1.37 -2.31 115.11 117.19 2k42 h GLN 42 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2k42 h GLN 42 Cb 0.41 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.96 2k42 h GLN 42 CO 0.03 0.24 0.00 -0.07 -2.65 0.00 0.00 178.83 176.38 2k42 h LEU 43 N 0.00 0.00 -1.92 -2.39 3.38 -0.23 -2.01 115.31 112.13 2k42 h LEU 43 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k42 h LEU 43 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2k42 h LEU 43 CO 0.03 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.91 2k42 n THR 44 N -2.89 0.24 -2.36 0.22 -2.24 -0.89 -0.09 114.28 106.27 2k42 n THR 44 Ca 0.02 -0.57 -0.41 0.00 -2.27 0.00 0.00 64.05 60.82 2k42 n THR 44 Cb 0.34 1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 69.60 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 -1.73 7.10 0.05 3.42 2.15 -0.76 -4.06 116.67 122.85 2k42 s ASP 45 Ca 0.34 2.36 -0.27 0.00 0.43 0.00 0.00 52.55 55.41 2k42 s ASP 45 Cb 0.21 -2.63 -0.14 0.00 -0.30 0.00 0.00 42.92 40.06 2k42 s ASP 45 CO 0.31 -0.30 1.41 0.00 -0.17 0.00 0.00 175.17 176.42 2k42 h ALA 46 N 4.12 -1.16 -0.23 3.66 0.00 -1.88 -1.02 119.26 122.75 2k42 h ALA 46 Ca -0.47 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.15 2k42 h ALA 46 Cb 1.22 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 2k42 h ALA 46 CO 0.69 -1.13 -0.29 1.05 0.00 0.00 0.00 179.25 179.56 2k42 h GLU 47 N -0.87 0.61 0.15 0.00 9.09 -1.92 -2.57 114.58 119.07 2k42 h GLU 47 Ca -0.07 -0.34 0.02 0.00 0.05 0.00 0.00 59.36 59.01 2k42 h GLU 47 Cb 0.70 0.02 -0.04 0.00 -1.65 0.00 0.00 28.75 27.79 2k42 h GLU 47 CO 0.06 0.95 -0.32 1.15 0.05 0.00 0.00 179.01 180.89 2k42 h THR 48 N 0.31 0.31 -0.50 -1.06 2.02 -1.83 -1.89 112.91 110.26 2k42 h THR 48 Ca 0.03 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.13 2k42 h THR 48 Cb 0.86 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2k42 h THR 48 CO 0.07 0.00 -0.01 0.77 0.37 0.00 0.00 175.52 176.72 2k42 h SER 49 N -0.57 0.88 -0.71 4.18 4.64 -1.24 -0.71 113.55 120.03 2k42 h SER 49 Ca 0.02 -0.31 0.06 0.00 -0.47 0.00 0.00 61.79 61.09 2k42 h SER 49 Cb 0.58 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 62.38 2k42 h SER 49 CO -0.17 0.98 0.40 0.50 -0.87 0.00 0.00 176.83 177.67 2k42 h LYS 50 N 0.75 0.72 0.00 4.77 3.64 -1.34 0.74 116.57 125.86 2k42 h LYS 50 Ca 0.14 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.37 2k42 h LYS 50 Cb 0.54 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2k42 h LYS 50 CO 0.03 0.48 -0.59 -0.07 -2.27 0.00 0.00 179.45 177.03 2k42 h LEU 51 N 0.74 0.00 -0.37 5.20 3.38 -1.13 -0.92 115.31 122.22 2k42 h LEU 51 Ca 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 2k42 h LEU 51 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2k42 h LEU 51 CO -0.18 0.50 0.15 0.40 0.09 0.00 0.00 178.44 179.40 2k42 h ILE 52 N 0.00 1.19 -0.40 1.22 2.04 -0.45 0.20 117.51 121.30 2k42 h ILE 52 Ca -0.02 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 2k42 h ILE 52 Cb 1.40 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 2k42 h ILE 52 CO 0.06 0.21 0.25 0.22 0.00 0.00 0.00 178.15 178.89 2k42 h TYR 53 N 0.46 0.52 -0.89 1.37 3.20 -0.67 0.50 116.97 121.46 2k42 h TYR 53 Ca 0.12 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.06 2k42 h TYR 53 Cb 0.19 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.23 2k42 h TYR 53 CO -0.00 0.36 0.58 0.22 -1.64 0.00 0.00 178.16 177.68 2k42 h ASP 54 N 0.53 0.88 -0.33 -2.11 3.58 -1.08 -0.99 116.42 116.90 2k42 h ASP 54 Ca 0.14 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.61 2k42 h ASP 54 Cb -0.02 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 2k42 h ASP 54 CO -0.03 0.56 0.20 0.15 -2.88 0.00 0.00 179.24 177.24 2k42 h PHE 55 N 1.00 0.38 -0.66 0.28 3.57 0.50 0.12 116.94 122.13 2k42 h PHE 55 Ca 0.39 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.83 2k42 h PHE 55 Cb 0.22 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2k42 h PHE 55 CO -0.00 0.23 0.16 0.82 -2.23 0.00 0.00 178.31 177.29 2k42 h ILE 56 N 0.41 1.25 -0.42 1.41 2.04 -0.10 -1.58 117.51 120.51 2k42 h ILE 56 Ca 0.13 -0.93 -0.09 0.00 1.00 0.00 0.00 64.86 64.97 2k42 h ILE 56 Cb -0.01 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2k42 h ILE 56 CO -0.05 0.35 -0.12 -0.08 0.00 0.00 0.00 178.15 178.25 2k42 h GLU 57 N 0.99 0.76 -0.45 2.37 4.81 -0.96 0.66 114.58 122.76 2k42 h GLU 57 Ca 0.21 -0.25 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2k42 h GLU 57 Cb 0.35 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2k42 h GLU 57 CO 0.00 0.84 0.30 0.22 -0.73 0.00 0.00 179.01 179.64 2k42 h ASP 58 N 0.68 0.37 1.89 1.04 3.58 0.18 -0.93 116.42 123.23 2k42 h ASP 58 Ca 0.12 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2k42 h ASP 58 Cb 0.59 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2k42 h ASP 58 CO 0.04 0.25 0.00 1.56 -2.88 0.00 0.00 179.24 178.21 2k42 h GLN 59 N 0.43 0.00 0.00 0.28 1.08 -1.07 -3.46 115.11 112.37 2k42 h GLN 59 Ca 0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2k42 h GLN 59 Cb 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2k42 h GLN 59 CO -0.05 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.24 2k42 n GLY 60 N 0.98 1.34 0.00 3.46 0.00 -0.35 -4.81 105.19 105.80 2k42 n GLY 60 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.26 -0.10 0.18 -0.02 0.00 0.20 -4.65 105.19 100.54 2k42 n GLY 61 Ca 0.00 -2.27 -0.06 0.00 0.00 0.00 0.00 46.02 43.69 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 0.37 -1.04 0.99 4.07 -1.93 -2.94 115.31 114.84 2k42 h LEU 62 Ca 0.00 -0.21 -0.10 0.00 0.08 0.00 0.00 57.88 57.66 2k42 h LEU 62 Cb 0.00 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 2k42 h LEU 62 CO 0.00 0.88 -0.45 -0.33 -1.08 0.00 0.00 178.44 177.45 2k42 h GLU 63 N 0.25 0.00 0.06 1.13 4.39 -1.91 -2.41 114.58 116.09 2k42 h GLU 63 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2k42 h GLU 63 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2k42 h GLU 63 CO 0.10 0.45 -0.03 0.00 -1.16 0.00 0.00 179.01 178.37 2k42 h ALA 64 N 1.55 -0.08 -0.72 3.43 0.00 -1.78 -2.82 119.26 118.84 2k42 h ALA 64 Ca -0.00 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2k42 h ALA 64 Cb 0.86 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2k42 h ALA 64 CO 0.06 -0.33 0.47 0.28 0.00 0.00 0.00 179.25 179.73 2k42 h VAL 65 N -0.52 1.15 -0.24 0.00 2.07 -1.47 0.74 116.25 117.98 2k42 h VAL 65 Ca -0.01 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.23 2k42 h VAL 65 Cb 0.45 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2k42 h VAL 65 CO 0.01 0.17 0.17 0.03 0.02 0.00 0.00 177.57 177.97 2k42 h ARG 66 N 0.93 0.15 0.00 1.57 3.08 -1.38 -2.42 114.38 116.31 2k42 h ARG 66 Ca 0.27 -0.01 -0.25 0.00 0.07 0.00 0.00 59.98 60.07 2k42 h ARG 66 Cb -0.04 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 2k42 h ARG 66 CO -0.07 0.10 -1.44 1.96 -1.07 0.00 0.00 179.97 179.45 2k42 h GLN 67 N 0.15 0.00 0.00 0.04 4.20 -0.64 -3.30 115.11 115.57 2k42 h GLN 67 Ca 0.11 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 2k42 h GLN 67 Cb 0.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 2k42 h GLN 67 CO -0.02 0.60 -0.02 0.93 -0.67 0.00 0.00 178.83 179.66 2k42 h GLU 68 N 0.00 0.00 0.00 1.46 4.39 -0.73 -2.02 114.58 117.68 2k42 h GLU 68 Ca -0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2k42 h GLU 68 Cb 1.88 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.53 2k42 h GLU 68 CO 0.09 0.02 0.24 0.52 -1.16 0.00 0.00 179.01 178.72 2k42 h MET 69 N 0.00 0.00 0.00 2.33 2.86 -1.62 0.12 114.93 118.62 2k42 h MET 69 Ca -0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2k42 h MET 69 Cb 0.20 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.79 2k42 h MET 69 CO 0.00 0.00 -0.51 2.89 1.06 0.00 0.00 176.91 180.35 2k42 n ARG 70 N -2.92 0.27 0.00 1.72 1.85 -0.79 -4.96 116.66 111.83 2k42 n ARG 70 Ca -0.02 -1.52 0.00 0.00 -1.00 0.00 0.00 57.85 55.31 2k42 n ARG 70 Cb 0.29 -0.62 0.00 0.00 -1.05 0.00 0.00 32.46 31.08 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 -0.19 0.00 0.00 2.89 0.63 0.01 -5.13 116.66 114.87 2k42 n ARG 71 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 2k42 n ARG 71 Cb 0.77 -0.02 0.00 0.00 0.45 0.00 0.00 32.46 33.65 2k42 n ARG 71 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12