#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k42 n HIS 2 N 0.00 2.87 -3.31 1.61 -0.00 -1.26 -4.80 115.22 110.33 2k42 n HIS 2 Ca 0.00 -2.86 -0.10 0.00 -0.00 0.00 0.00 57.72 54.76 2k42 n HIS 2 Cb 0.00 -2.06 -0.06 0.00 -0.00 0.00 0.00 29.99 27.87 2k42 n HIS 2 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2k42 s MET 3 N 0.56 0.47 0.00 -1.40 1.75 -1.26 -4.94 119.30 114.48 2k42 s MET 3 Ca 0.48 -0.05 0.00 0.00 -1.25 0.00 0.00 55.69 54.87 2k42 s MET 3 Cb 0.14 -0.36 0.00 0.00 2.84 0.00 0.00 34.83 37.45 2k42 s MET 3 CO -0.04 -1.07 0.00 -1.13 -0.65 0.00 0.00 175.02 172.13 2k42 n SER 4 N 5.13 0.00 -3.10 1.11 3.41 -1.26 -4.98 113.62 113.92 2k42 n SER 4 Ca 0.03 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.37 2k42 n SER 4 Cb 0.49 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.39 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 0.08 5.15 3.36 5.00 0.00 -1.26 -5.01 105.19 112.51 2k42 n GLY 5 Ca 0.00 -2.66 -0.46 0.00 0.00 0.00 0.00 46.02 42.90 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 -3.04 3.34 -0.02 1.61 0.08 -1.26 -4.56 117.98 114.14 2k42 s PHE 6 Ca 0.45 -1.48 -0.18 0.00 0.12 0.00 0.00 56.93 55.84 2k42 s PHE 6 Cb 0.24 -3.96 -0.10 0.00 -0.57 0.00 0.00 43.02 38.63 2k42 s PHE 6 CO -0.10 -1.18 0.79 0.87 -0.10 0.00 0.00 175.22 175.51 2k42 h LYS 7 N 8.55 -0.63 -6.36 0.44 1.57 -1.95 -3.48 116.57 114.71 2k42 h LYS 7 Ca -0.06 0.04 -0.35 0.00 -1.87 0.00 0.00 60.65 58.41 2k42 h LYS 7 Cb 1.06 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2k42 h LYS 7 CO 0.96 -0.42 -0.85 1.58 -0.57 0.00 0.00 179.45 180.15 2k42 n HIS 8 N -5.02 -2.39 -0.07 -1.35 -0.00 -1.26 -4.92 115.22 100.22 2k42 n HIS 8 Ca -0.08 0.96 -0.09 0.00 0.46 0.00 0.00 57.72 58.97 2k42 n HIS 8 Cb 0.26 -3.01 -0.07 0.00 -0.12 0.00 0.00 29.99 27.05 2k42 n HIS 8 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 2k42 n VAL 9 N -2.06 0.83 1.27 3.57 0.24 -1.26 -4.44 118.33 116.47 2k42 n VAL 9 Ca -0.21 -0.37 0.15 0.00 -2.04 0.00 0.00 64.34 61.87 2k42 n VAL 9 Cb 0.64 -0.93 0.71 0.00 -1.47 0.00 0.00 33.84 32.79 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 -2.78 0.00 0.00 -1.34 2.88 -1.26 -4.87 113.62 106.25 2k42 n SER 10 Ca -0.24 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2k42 n SER 10 Cb 0.81 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 2k42 n SER 10 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2k42 n HIS 11 N -1.37 0.00 0.00 0.66 8.25 -1.26 -3.93 115.22 117.57 2k42 n HIS 11 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2k42 n HIS 11 Cb 0.28 -1.17 0.00 0.00 1.12 0.00 0.00 29.99 30.22 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 -2.35 0.00 0.00 1.59 0.31 -1.26 -3.20 118.33 113.42 2k42 n VAL 12 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2k42 n VAL 12 Cb 0.26 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 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 1.03 3.67 2.92 0.00 -1.25 -4.92 105.19 106.64 2k42 n GLY 13 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 3.37 -0.13 1.61 -0.00 -1.20 -0.74 118.94 119.85 2k42 s TRP 14 Ca 0.00 0.52 -0.03 0.00 -0.00 0.00 0.00 56.10 56.59 2k42 s TRP 14 Cb 0.00 -2.45 -0.03 0.00 -0.00 0.00 0.00 33.47 30.99 2k42 s TRP 14 CO 0.00 0.02 -0.02 0.34 -0.00 0.00 0.00 176.95 177.29 2k42 s ASP 15 N 1.01 4.96 0.58 5.86 2.15 0.12 -4.95 116.67 126.39 2k42 s ASP 15 Ca 0.16 -0.03 0.28 0.00 0.43 0.00 0.00 52.55 53.39 2k42 s ASP 15 Cb -0.14 -1.64 1.55 0.00 -0.30 0.00 0.00 42.92 42.38 2k42 s ASP 15 CO 0.07 0.25 2.03 1.55 -0.17 0.00 0.00 175.17 178.89 2k42 h PRO 16 N 6.12 0.00 0.00 4.34 0.13 -1.97 0.46 132.00 141.08 2k42 h PRO 16 Ca -0.39 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.45 2k42 h PRO 16 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2k42 h PRO 16 CO 0.60 0.00 -2.09 1.04 -0.23 0.00 0.00 178.00 177.32 2k42 n GLN 17 N -3.91 0.87 0.00 0.86 6.02 -1.26 -4.66 117.38 115.30 2k42 n GLN 17 Ca 0.05 0.07 0.11 0.00 -0.01 0.00 0.00 57.00 57.21 2k42 n GLN 17 Cb 0.46 -1.39 -0.04 0.00 1.02 0.00 0.00 30.24 30.29 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 -2.88 1.50 0.00 1.08 3.02 -1.06 -4.34 115.26 112.58 2k42 n ASN 18 Ca -0.31 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.01 2k42 n ASN 18 Cb 0.92 0.70 0.00 0.00 -0.61 0.00 0.00 39.78 40.78 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 1.46 -1.12 3.68 7.41 0.00 0.16 -4.41 105.19 112.37 2k42 n GLY 19 Ca 0.07 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 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 3.32 -0.54 1.61 0.40 -0.77 0.12 117.98 122.12 2k42 s PHE 20 Ca 0.00 1.37 -0.26 0.00 -0.60 0.00 0.00 56.93 57.44 2k42 s PHE 20 Cb 0.00 -3.32 -0.04 0.00 0.51 0.00 0.00 43.02 40.17 2k42 s PHE 20 CO 0.00 -0.84 2.09 0.34 0.70 0.00 0.00 175.22 177.51 2k42 s ASP 21 N 1.33 4.95 0.00 1.36 -1.08 0.08 -4.60 116.67 118.70 2k42 s ASP 21 Ca 0.52 0.72 0.17 0.00 -0.52 0.00 0.00 52.55 53.44 2k42 s ASP 21 Cb -0.21 -2.52 0.87 0.00 -1.46 0.00 0.00 42.92 39.60 2k42 s ASP 21 CO 0.19 -2.55 1.47 1.33 0.52 0.00 0.00 175.17 176.14 2k42 n VAL 22 N 7.56 0.44 0.10 1.11 0.24 -1.26 -2.53 118.33 123.99 2k42 n VAL 22 Ca 0.27 0.11 -0.23 0.00 -2.04 0.00 0.00 64.34 62.45 2k42 n VAL 22 Cb 0.53 -0.84 -0.14 0.00 -1.47 0.00 0.00 33.84 31.92 2k42 n VAL 22 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2k42 h ASN 23 N 0.00 0.79 -0.36 -1.34 2.35 -1.99 -3.34 115.58 111.68 2k42 h ASN 23 Ca 0.00 -0.88 -0.23 0.00 -0.55 0.00 0.00 56.30 54.64 2k42 h ASN 23 Cb 0.13 -0.25 -0.15 0.00 0.05 0.00 0.00 38.32 38.10 2k42 h ASN 23 CO 0.00 1.61 -0.30 -0.46 -1.65 0.00 0.00 177.43 176.63 2k42 n ASN 24 N -3.84 3.00 -4.71 5.81 0.23 -1.05 -5.01 115.26 109.68 2k42 n ASN 24 Ca -0.15 -3.82 -0.42 0.00 -0.53 0.00 0.00 54.58 49.66 2k42 n ASN 24 Cb 1.00 -0.57 -0.03 0.00 -2.08 0.00 0.00 39.78 38.10 2k42 n ASN 24 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2k42 s LEU 25 N -3.35 4.37 0.25 -4.53 1.43 -1.10 -4.97 118.68 110.78 2k42 s LEU 25 Ca 0.45 2.50 -0.30 0.00 -1.03 0.00 0.00 54.13 55.75 2k42 s LEU 25 Cb 0.40 -3.59 -0.11 0.00 0.03 0.00 0.00 46.19 42.93 2k42 s LEU 25 CO -0.02 -0.78 1.51 -1.81 0.23 0.00 0.00 176.35 175.48 2k42 s ASP 26 N 1.32 6.55 0.50 2.29 1.01 -1.26 -4.77 116.67 122.31 2k42 s ASP 26 Ca 0.69 2.76 0.32 0.00 0.71 0.00 0.00 52.55 57.02 2k42 s ASP 26 Cb -0.41 -2.62 1.43 0.00 1.01 0.00 0.00 42.92 42.33 2k42 s ASP 26 CO 0.31 -0.79 1.79 -0.65 0.21 0.00 0.00 175.17 176.04 2k42 h PRO 27 N 5.17 0.10 0.07 8.23 0.11 -1.98 0.20 132.00 143.91 2k42 h PRO 27 Ca -0.46 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 2k42 h PRO 27 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2k42 h PRO 27 CO 0.80 0.07 -0.04 0.38 -0.21 0.00 0.00 178.00 179.00 2k42 h ASP 28 N 0.11 -0.08 -0.52 -2.05 2.03 -1.98 -0.33 116.42 113.60 2k42 h ASP 28 Ca 0.58 -0.49 0.03 0.00 -0.73 0.00 0.00 57.03 56.42 2k42 h ASP 28 Cb 2.08 0.02 -0.04 0.00 -0.83 0.00 0.00 39.33 40.56 2k42 h ASP 28 CO -0.10 0.49 0.30 -0.07 -1.03 0.00 0.00 179.24 178.83 2k42 h LEU 29 N -0.71 0.48 -0.48 0.15 3.38 -1.41 0.12 115.31 116.83 2k42 h LEU 29 Ca -0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k42 h LEU 29 Cb 0.57 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2k42 h LEU 29 CO 0.02 0.34 0.29 -0.09 0.09 0.00 0.00 178.44 179.09 2k42 h ARG 30 N 0.60 0.66 -0.33 1.13 1.12 -0.75 0.14 114.38 116.94 2k42 h ARG 30 Ca 0.21 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 59.02 2k42 h ARG 30 Cb 0.04 -0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 29.85 2k42 h ARG 30 CO -0.10 0.48 0.21 1.03 -3.11 0.00 0.00 179.97 178.48 2k42 h SER 31 N 0.65 0.38 0.43 -3.80 0.87 -0.65 -2.41 113.55 109.01 2k42 h SER 31 Ca 0.17 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 2k42 h SER 31 Cb -0.01 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2k42 h SER 31 CO -0.03 0.28 -0.21 0.25 -0.53 0.00 0.00 176.83 176.59 2k42 h LEU 32 N 0.44 -0.49 -0.73 2.23 7.12 -0.27 -1.51 115.31 122.10 2k42 h LEU 32 Ca 0.12 -0.11 0.04 0.00 0.13 0.00 0.00 57.88 58.06 2k42 h LEU 32 Cb -0.04 0.13 -0.05 0.00 -0.53 0.00 0.00 40.66 40.17 2k42 h LEU 32 CO -0.03 -0.12 0.46 -0.26 -0.13 0.00 0.00 178.44 178.36 2k42 h PHE 33 N -0.90 0.85 0.00 1.25 0.04 -0.78 0.29 116.94 117.70 2k42 h PHE 33 Ca -0.06 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2k42 h PHE 33 Cb 0.56 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.43 2k42 h PHE 33 CO 0.01 0.48 0.00 0.77 -0.60 0.00 0.00 178.31 178.97 2k42 h SER 34 N 0.88 0.00 0.46 2.17 0.02 -1.47 -0.82 113.55 114.79 2k42 h SER 34 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2k42 h SER 34 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2k42 h SER 34 CO -0.12 0.00 -0.47 -1.14 -1.14 0.00 0.00 176.83 173.96 2k42 n ARG 35 N -2.97 0.12 -0.21 3.45 0.63 0.48 -3.39 116.66 114.79 2k42 n ARG 35 Ca 0.01 -0.07 0.11 0.00 -0.92 0.00 0.00 57.85 56.98 2k42 n ARG 35 Cb 0.30 -1.50 0.26 0.00 0.45 0.00 0.00 32.46 31.98 2k42 n ARG 35 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k42 n ALA 36 N -1.38 2.43 -0.13 5.13 0.00 0.73 -4.92 120.51 122.37 2k42 n ALA 36 Ca 0.06 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2k42 n ALA 36 Cb 0.34 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 1.43 1.58 3.58 0.00 0.00 -1.11 -4.98 105.19 105.69 2k42 n GLY 37 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.73 3.76 0.82 -0.61 1.01 -0.71 -4.99 121.20 117.73 2k42 s ILE 38 Ca 0.00 0.67 -0.11 0.00 0.00 0.00 0.00 60.65 61.21 2k42 s ILE 38 Cb 0.00 -4.30 0.08 0.00 0.01 0.00 0.00 42.46 38.25 2k42 s ILE 38 CO 0.00 -1.02 1.09 -0.44 0.00 0.00 0.00 174.94 174.57 2k42 s SER 39 N 4.72 4.10 0.21 3.58 0.01 -1.26 -3.83 113.70 121.23 2k42 s SER 39 Ca 0.57 1.76 -0.09 0.00 1.31 0.00 0.00 55.95 59.50 2k42 s SER 39 Cb -0.12 -2.44 0.30 0.00 0.21 0.00 0.00 66.02 63.97 2k42 s SER 39 CO 0.27 -2.28 1.73 -0.08 0.41 0.00 0.00 173.24 173.28 2k42 h GLU 40 N -1.30 0.35 -0.28 12.44 4.81 -1.97 0.21 114.58 128.84 2k42 h GLU 40 Ca -0.45 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 2k42 h GLU 40 Cb 1.25 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2k42 h GLU 40 CO 0.51 0.23 0.14 0.00 -0.73 0.00 0.00 179.01 179.17 2k42 h ALA 41 N 1.45 0.36 -0.30 2.92 0.00 -1.98 -2.53 119.26 119.19 2k42 h ALA 41 Ca 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2k42 h ALA 41 Cb 0.43 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2k42 h ALA 41 CO -0.35 -0.09 0.13 0.37 0.00 0.00 0.00 179.25 179.31 2k42 h GLN 42 N 0.33 0.42 0.00 0.00 4.15 -1.51 -0.17 115.11 118.34 2k42 h GLN 42 Ca 0.10 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2k42 h GLN 42 Cb 0.10 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.70 2k42 h GLN 42 CO -0.01 0.35 0.00 1.25 -1.93 0.00 0.00 178.83 178.48 2k42 h LEU 43 N 0.42 0.00 -3.00 -2.39 5.85 -0.22 -1.72 115.31 114.25 2k42 h LEU 43 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2k42 h LEU 43 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2k42 h LEU 43 CO -0.01 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 178.44 2k42 n THR 44 N -2.99 1.42 -3.13 1.05 -2.24 -0.12 -1.84 114.28 106.43 2k42 n THR 44 Ca 0.00 -1.23 -0.35 0.00 -2.27 0.00 0.00 64.05 60.20 2k42 n THR 44 Cb 0.26 0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.19 6.96 0.00 3.42 1.01 -0.65 -3.99 116.67 122.23 2k42 s ASP 45 Ca 0.34 1.36 -0.02 0.00 0.71 0.00 0.00 52.55 54.94 2k42 s ASP 45 Cb 0.21 -2.40 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 2k42 s ASP 45 CO 0.17 -0.03 1.03 0.00 0.21 0.00 0.00 175.17 176.55 2k42 h ALA 46 N 3.11 -0.89 -0.61 5.23 0.00 -1.87 -1.51 119.26 122.72 2k42 h ALA 46 Ca -0.48 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 2k42 h ALA 46 Cb 1.19 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2k42 h ALA 46 CO 0.65 -0.89 -0.00 1.05 0.00 0.00 0.00 179.25 180.07 2k42 h GLU 47 N -0.05 1.09 0.14 0.00 9.09 -1.95 -1.23 114.58 121.65 2k42 h GLU 47 Ca -0.00 -0.35 0.02 0.00 0.05 0.00 0.00 59.36 59.08 2k42 h GLU 47 Cb 0.04 -0.10 -0.05 0.00 -1.65 0.00 0.00 28.75 27.00 2k42 h GLU 47 CO 0.00 1.06 -0.47 1.15 0.05 0.00 0.00 179.01 180.80 2k42 h THR 48 N 0.99 0.08 -0.58 -1.06 2.02 -1.84 -0.27 112.91 112.26 2k42 h THR 48 Ca 0.17 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.29 2k42 h THR 48 Cb 0.57 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2k42 h THR 48 CO 0.03 0.00 0.09 0.77 0.37 0.00 0.00 175.52 176.78 2k42 h SER 49 N -0.71 0.87 -0.74 4.18 4.64 -1.15 -1.00 113.55 119.65 2k42 h SER 49 Ca 0.01 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 2k42 h SER 49 Cb 0.73 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.55 2k42 h SER 49 CO -0.26 0.88 0.41 0.50 -0.87 0.00 0.00 176.83 177.50 2k42 h LYS 50 N 0.87 1.04 0.00 4.77 3.64 -0.94 0.81 116.57 126.75 2k42 h LYS 50 Ca 0.18 -0.11 -0.15 0.00 -1.27 0.00 0.00 60.65 59.30 2k42 h LYS 50 Cb 0.38 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2k42 h LYS 50 CO 0.01 0.76 -0.73 -0.07 -2.27 0.00 0.00 179.45 177.15 2k42 h LEU 51 N 1.05 0.00 -0.41 5.20 3.38 -0.60 -1.26 115.31 122.66 2k42 h LEU 51 Ca 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2k42 h LEU 51 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2k42 h LEU 51 CO -0.04 0.70 0.19 0.40 0.09 0.00 0.00 178.44 179.77 2k42 h ILE 52 N 0.00 1.18 -0.86 1.22 2.04 -0.59 0.27 117.51 120.77 2k42 h ILE 52 Ca -0.01 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 2k42 h ILE 52 Cb 1.54 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.35 2k42 h ILE 52 CO 0.09 0.19 0.51 0.22 0.00 0.00 0.00 178.15 179.17 2k42 h TYR 53 N 0.52 1.14 -0.34 1.37 3.20 -0.72 0.22 116.97 122.37 2k42 h TYR 53 Ca 0.14 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2k42 h TYR 53 Cb 0.13 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 2k42 h TYR 53 CO -0.01 0.77 0.22 0.22 -1.64 0.00 0.00 178.16 177.71 2k42 h ASP 54 N 1.19 0.39 -0.37 -2.11 3.58 -1.07 -2.68 116.42 115.36 2k42 h ASP 54 Ca 0.31 -0.02 0.07 0.00 0.42 0.00 0.00 57.03 57.80 2k42 h ASP 54 Cb -0.03 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 40.85 2k42 h ASP 54 CO -0.06 0.30 -0.04 0.15 -2.88 0.00 0.00 179.24 176.71 2k42 h PHE 55 N 0.45 -0.10 -0.95 0.28 3.57 0.63 -2.15 116.94 118.67 2k42 h PHE 55 Ca 0.12 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.67 2k42 h PHE 55 Cb -0.03 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 2k42 h PHE 55 CO -0.05 -0.11 0.62 0.82 -2.23 0.00 0.00 178.31 177.36 2k42 h ILE 56 N 0.05 1.21 -0.45 1.41 2.04 -0.41 -1.23 117.51 120.14 2k42 h ILE 56 Ca 0.18 -0.43 -0.11 0.00 1.00 0.00 0.00 64.86 65.50 2k42 h ILE 56 Cb 0.26 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 2k42 h ILE 56 CO -0.33 0.23 -0.15 -0.08 0.00 0.00 0.00 178.15 177.82 2k42 h GLU 57 N 1.25 0.85 -1.00 2.37 4.22 -1.19 0.47 114.58 121.55 2k42 h GLU 57 Ca 0.36 -0.31 0.10 0.00 0.08 0.00 0.00 59.36 59.59 2k42 h GLU 57 Cb -0.09 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.03 2k42 h GLU 57 CO -0.09 0.94 0.64 0.22 -2.18 0.00 0.00 179.01 178.53 2k42 h ASP 58 N 0.75 0.97 1.81 1.04 3.58 -0.60 -1.26 116.42 122.71 2k42 h ASP 58 Ca 0.12 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.60 2k42 h ASP 58 Cb 0.66 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2k42 h ASP 58 CO 0.05 0.56 -0.01 1.56 -2.88 0.00 0.00 179.24 178.51 2k42 h GLN 59 N 1.06 0.00 0.00 0.28 1.08 -0.91 -3.47 115.11 113.16 2k42 h GLN 59 Ca 0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 2k42 h GLN 59 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2k42 h GLN 59 CO -0.22 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.07 2k42 n GLY 60 N 1.17 1.20 0.00 3.46 0.00 -0.47 -4.75 105.19 105.79 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 -0.09 0.92 0.34 -0.02 0.00 0.16 -4.52 105.19 101.98 2k42 n GLY 61 Ca 0.00 -2.21 -0.02 0.00 0.00 0.00 0.00 46.02 43.79 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 0.98 -1.66 0.99 3.38 -1.93 -1.77 115.31 115.30 2k42 h LEU 62 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2k42 h LEU 62 Cb 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2k42 h LEU 62 CO 0.00 0.69 -0.19 -0.33 0.09 0.00 0.00 178.44 178.70 2k42 h GLU 63 N 1.15 0.00 -0.04 1.13 3.07 -1.96 -2.68 114.58 115.25 2k42 h GLU 63 Ca 0.35 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.14 2k42 h GLU 63 Cb -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 2k42 h GLU 63 CO -0.10 0.19 -0.23 0.00 -1.40 0.00 0.00 179.01 177.46 2k42 h ALA 64 N 1.81 0.09 0.00 3.43 0.00 -1.56 -3.09 119.26 119.95 2k42 h ALA 64 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2k42 h ALA 64 Cb 0.34 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2k42 h ALA 64 CO 0.02 0.08 -0.20 -0.39 0.00 0.00 0.00 179.25 178.76 2k42 h VAL 65 N -0.32 0.74 -0.58 0.00 -1.51 -1.32 0.95 116.25 114.20 2k42 h VAL 65 Ca -0.02 -0.85 -0.03 0.00 -1.23 0.00 0.00 66.70 64.58 2k42 h VAL 65 Cb 0.89 1.52 -0.03 0.00 -2.13 0.00 0.00 31.29 31.55 2k42 h VAL 65 CO 0.05 0.20 0.25 0.03 -1.23 0.00 0.00 177.57 176.87 2k42 h ARG 66 N 0.00 0.84 -0.07 5.19 3.08 -1.49 -2.77 114.38 119.17 2k42 h ARG 66 Ca -0.00 -0.12 -0.22 0.00 0.07 0.00 0.00 59.98 59.70 2k42 h ARG 66 Cb 0.51 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.42 2k42 h ARG 66 CO 0.03 0.67 -0.83 1.96 -1.07 0.00 0.00 179.97 180.73 2k42 h GLN 67 N 0.83 0.68 -0.24 0.04 4.20 -0.79 -3.26 115.11 116.57 2k42 h GLN 67 Ca 0.20 -0.64 0.07 0.00 0.06 0.00 0.00 58.65 58.34 2k42 h GLN 67 Cb 0.14 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 2k42 h GLN 67 CO -0.02 1.24 0.20 0.93 -0.67 0.00 0.00 178.83 180.51 2k42 h GLU 68 N 0.35 0.00 -0.84 1.46 4.39 -0.88 0.24 114.58 119.29 2k42 h GLU 68 Ca -0.09 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.75 2k42 h GLU 68 Cb 1.48 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.07 2k42 h GLU 68 CO 0.17 0.00 0.55 0.52 -1.16 0.00 0.00 179.01 179.09 2k42 h MET 69 N 0.00 0.61 0.00 2.33 2.86 -1.56 -0.68 114.93 118.49 2k42 h MET 69 Ca 0.11 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2k42 h MET 69 Cb 0.51 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 2k42 h MET 69 CO -0.00 0.40 -0.43 2.89 1.06 0.00 0.00 176.91 180.83 2k42 n ARG 70 N -4.53 1.34 0.05 1.72 1.85 0.58 -4.75 116.66 112.91 2k42 n ARG 70 Ca 0.16 -2.96 0.00 0.00 -1.00 0.00 0.00 57.85 54.05 2k42 n ARG 70 Cb 0.47 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.45 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 -1.03 0.00 0.00 2.89 0.63 0.27 -5.06 116.66 114.35 2k42 n ARG 71 Ca 0.17 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 57.25 2k42 n ARG 71 Cb 0.72 -0.48 0.82 0.00 0.45 0.00 0.00 32.46 33.96 2k42 n ARG 71 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16