#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 -1.01 0.00 1.61 0.00 -1.26 -5.03 115.29 109.60 2k42 s HIS 2 Ca 0.00 2.00 0.00 0.00 -3.00 0.00 0.00 55.06 54.06 2k42 s HIS 2 Cb 0.00 0.61 0.00 0.00 -4.00 0.00 0.00 32.58 29.19 2k42 s HIS 2 CO 0.00 -0.50 0.32 0.00 -1.00 0.00 0.00 174.74 173.56 2k42 n MET 3 N 4.31 -0.29 -2.30 -0.38 -0.00 -1.26 -4.84 117.12 112.37 2k42 n MET 3 Ca -0.19 -0.35 -0.41 0.00 -0.00 0.00 0.00 57.70 56.75 2k42 n MET 3 Cb 0.58 -0.76 0.00 0.00 -0.00 0.00 0.00 33.22 33.04 2k42 n MET 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2k42 n SER 4 N -0.03 6.87 0.03 3.17 7.64 -1.26 -4.67 113.62 125.37 2k42 n SER 4 Ca 0.00 -3.24 -0.15 0.00 1.01 0.00 0.00 58.87 56.49 2k42 n SER 4 Cb 0.15 -1.36 -0.14 0.00 -1.01 0.00 0.00 64.21 61.85 2k42 n SER 4 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2k42 h GLY 5 N 6.08 0.21 -7.12 0.23 0.00 -2.04 -3.43 103.07 96.99 2k42 h GLY 5 Ca 0.53 -0.54 -0.63 0.00 0.00 0.00 0.00 47.33 46.69 2k42 h GLY 5 CO 1.47 0.47 0.43 -0.12 0.00 0.00 0.00 176.54 178.79 2k42 s PHE 6 N -2.60 2.87 -1.22 5.60 5.36 -1.26 -4.97 117.98 121.76 2k42 s PHE 6 Ca -0.10 -0.12 -0.14 0.00 -0.96 0.00 0.00 56.93 55.61 2k42 s PHE 6 Cb 0.07 -3.91 0.16 0.00 -0.34 0.00 0.00 43.02 39.00 2k42 s PHE 6 CO 0.83 -1.24 1.47 0.21 -1.46 0.00 0.00 175.22 175.03 2k42 s LYS 7 N 3.58 4.08 -0.33 10.12 2.47 -1.26 -4.47 119.74 133.93 2k42 s LYS 7 Ca 0.27 -2.52 0.02 0.00 -1.56 0.00 0.00 55.97 52.18 2k42 s LYS 7 Cb -0.14 -5.12 0.31 0.00 -1.46 0.00 0.00 37.83 31.42 2k42 s LYS 7 CO 0.18 -1.82 1.34 1.58 0.16 0.00 0.00 175.35 176.78 2k42 n HIS 8 N 5.96 -0.52 0.00 4.03 -0.00 -1.26 -2.32 115.22 121.11 2k42 n HIS 8 Ca 0.38 -0.76 0.00 0.00 0.46 0.00 0.00 57.72 57.81 2k42 n HIS 8 Cb 0.43 1.16 0.00 0.00 -0.12 0.00 0.00 29.99 31.46 2k42 n HIS 8 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2k42 n VAL 9 N 0.86 0.00 0.21 3.57 0.31 -1.26 -4.68 118.33 117.33 2k42 n VAL 9 Ca -0.03 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.38 2k42 n VAL 9 Cb 0.74 0.12 0.42 0.00 -0.91 0.00 0.00 33.84 34.20 2k42 n VAL 9 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2k42 n SER 10 N -0.81 0.41 0.00 4.52 3.41 -1.26 -4.78 113.62 115.11 2k42 n SER 10 Ca 0.00 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 2k42 n SER 10 Cb 0.04 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 2k42 n SER 10 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2k42 n HIS 11 N -2.02 0.00 -1.35 7.33 8.25 -1.26 -3.77 115.22 122.41 2k42 n HIS 11 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 2k42 n HIS 11 Cb 0.08 -0.88 -0.06 0.00 1.12 0.00 0.00 29.99 30.26 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 -2.11 0.00 -1.66 1.59 0.31 -1.26 -0.46 118.33 114.73 2k42 n VAL 12 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 2k42 n VAL 12 Cb 0.07 -1.34 -0.05 0.00 -0.91 0.00 0.00 33.84 31.60 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 -0.15 1.18 3.79 2.92 0.00 -1.25 -4.76 105.19 106.92 2k42 n GLY 13 Ca -0.13 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.65 3.53 -0.06 1.61 -0.00 0.39 -2.27 118.94 119.50 2k42 s TRP 14 Ca 0.00 0.56 0.05 0.00 -0.00 0.00 0.00 56.10 56.71 2k42 s TRP 14 Cb 0.00 -2.16 -0.02 0.00 -0.00 0.00 0.00 33.47 31.29 2k42 s TRP 14 CO 0.00 0.47 -0.20 0.34 -0.00 0.00 0.00 176.95 177.56 2k42 s ASP 15 N -0.26 3.50 0.00 5.86 2.15 0.10 -4.98 116.67 123.05 2k42 s ASP 15 Ca 0.15 -0.38 0.00 0.00 0.43 0.00 0.00 52.55 52.75 2k42 s ASP 15 Cb -0.13 -0.90 0.00 0.00 -0.30 0.00 0.00 42.92 41.60 2k42 s ASP 15 CO 0.04 0.27 0.44 -2.65 -0.17 0.00 0.00 175.17 173.10 2k42 n PRO 16 N 2.78 0.00 -0.04 4.34 -0.02 -1.26 -0.07 135.00 140.73 2k42 n PRO 16 Ca -0.17 0.44 0.02 0.00 -2.02 0.00 0.00 63.50 61.77 2k42 n PRO 16 Cb 0.52 -0.67 -0.14 0.00 -0.02 0.00 0.00 33.50 33.19 2k42 n PRO 16 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2k42 n GLN 17 N -2.33 0.83 0.11 -0.52 7.27 -1.26 -4.40 117.38 117.07 2k42 n GLN 17 Ca 0.00 -0.10 -0.04 0.00 0.07 0.00 0.00 57.00 56.93 2k42 n GLN 17 Cb 0.00 -1.43 0.09 0.00 2.41 0.00 0.00 30.24 31.31 2k42 n GLN 17 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 2k42 h ASN 18 N 0.00 0.07 0.00 1.69 -0.00 -1.82 -3.34 115.58 112.18 2k42 h ASN 18 Ca -0.18 -0.05 0.00 0.00 -0.00 0.00 0.00 56.30 56.07 2k42 h ASN 18 Cb 1.31 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 39.61 2k42 h ASN 18 CO 0.01 0.76 0.00 0.61 -0.00 0.00 0.00 177.43 178.81 2k42 n GLY 19 N 0.50 -0.66 3.81 1.57 0.00 0.90 -4.18 105.19 107.13 2k42 n GLY 19 Ca -0.01 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 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 3.69 -1.06 1.61 0.08 0.58 0.01 117.98 122.88 2k42 s PHE 20 Ca 0.00 1.43 -0.23 0.00 0.12 0.00 0.00 56.93 58.25 2k42 s PHE 20 Cb 0.00 -2.64 -0.04 0.00 -0.57 0.00 0.00 43.02 39.76 2k42 s PHE 20 CO 0.00 0.36 1.87 0.34 -0.10 0.00 0.00 175.22 177.69 2k42 s ASP 21 N -1.57 5.39 0.56 1.36 -1.08 -0.96 -4.62 116.67 115.74 2k42 s ASP 21 Ca 0.42 -1.31 0.29 0.00 -0.52 0.00 0.00 52.55 51.43 2k42 s ASP 21 Cb -0.18 -2.57 1.68 0.00 -1.46 0.00 0.00 42.92 40.39 2k42 s ASP 21 CO 0.22 -2.61 2.18 1.62 0.52 0.00 0.00 175.17 177.09 2k42 h VAL 22 N 6.63 0.52 -0.03 1.11 3.04 -1.92 0.16 116.25 125.76 2k42 h VAL 22 Ca 0.19 -0.25 -0.22 0.00 -1.01 0.00 0.00 66.70 65.41 2k42 h VAL 22 Cb 0.97 1.16 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 2k42 h VAL 22 CO 1.26 0.05 -0.89 -1.13 -1.01 0.00 0.00 177.57 175.85 2k42 h ASN 23 N 0.00 0.58 -1.03 3.17 -1.24 -2.01 -3.27 115.58 111.78 2k42 h ASN 23 Ca -0.00 -0.44 -0.59 0.00 0.71 0.00 0.00 56.30 55.99 2k42 h ASN 23 Cb 0.16 -0.17 -0.40 0.00 0.73 0.00 0.00 38.32 38.63 2k42 h ASN 23 CO 0.01 1.22 -0.51 0.59 -1.29 0.00 0.00 177.43 177.45 2k42 n ASN 24 N -3.79 5.32 -4.77 1.15 3.02 -0.58 -5.05 115.26 110.56 2k42 n ASN 24 Ca -0.06 -3.75 -0.40 0.00 -0.03 0.00 0.00 54.58 50.33 2k42 n ASN 24 Cb 0.80 -0.48 -0.02 0.00 -0.61 0.00 0.00 39.78 39.48 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 -3.64 4.36 0.21 3.41 1.43 -0.06 -4.88 118.68 119.52 2k42 s LEU 25 Ca 0.52 2.71 -0.32 0.00 -1.03 0.00 0.00 54.13 56.01 2k42 s LEU 25 Cb 0.42 -3.72 -0.12 0.00 0.03 0.00 0.00 46.19 42.80 2k42 s LEU 25 CO -0.04 -0.64 1.65 -0.67 0.23 0.00 0.00 176.35 176.88 2k42 n ASP 26 N 0.60 3.69 0.01 2.29 -0.08 -1.26 -4.70 116.55 117.09 2k42 n ASP 26 Ca 0.01 1.08 0.22 0.00 -1.51 0.00 0.00 54.79 54.59 2k42 n ASP 26 Cb 0.42 -1.53 0.62 0.00 2.34 0.00 0.00 41.12 42.96 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 6.12 0.00 0.00 -0.67 0.11 -1.97 0.36 132.00 135.94 2k42 h PRO 27 Ca -0.44 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 2k42 h PRO 27 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2k42 h PRO 27 CO 0.90 0.00 -0.59 0.22 -0.21 0.00 0.00 178.00 178.33 2k42 h ASP 28 N 0.00 0.00 -0.70 -2.05 1.82 -1.99 -3.14 116.42 110.36 2k42 h ASP 28 Ca 0.27 -0.66 0.10 0.00 -0.39 0.00 0.00 57.03 56.35 2k42 h ASP 28 Cb 1.73 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 41.67 2k42 h ASP 28 CO -0.00 1.17 0.32 -0.07 -1.61 0.00 0.00 179.24 179.05 2k42 h LEU 29 N -1.00 0.40 -2.39 2.28 4.07 -1.49 0.34 115.31 117.52 2k42 h LEU 29 Ca -0.15 0.07 0.02 0.00 0.08 0.00 0.00 57.88 57.90 2k42 h LEU 29 Cb 1.04 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.79 2k42 h LEU 29 CO -0.09 0.22 0.10 -0.09 -1.08 0.00 0.00 178.44 177.50 2k42 h ARG 30 N 0.55 0.00 0.06 1.13 9.65 -0.50 -0.98 114.38 124.29 2k42 h ARG 30 Ca 0.35 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.93 2k42 h ARG 30 Cb 0.40 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.95 2k42 h ARG 30 CO -0.29 0.00 -1.62 0.45 2.80 0.00 0.00 179.97 181.31 2k42 n SER 31 N -3.74 1.99 0.11 -3.80 2.88 0.12 -4.31 113.62 106.87 2k42 n SER 31 Ca -0.01 0.32 -0.12 0.00 -1.33 0.00 0.00 58.87 57.73 2k42 n SER 31 Cb 0.20 -0.92 -0.08 0.00 -0.75 0.00 0.00 64.21 62.66 2k42 n SER 31 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2k42 h LEU 32 N -0.48 -0.27 -1.33 2.46 7.12 0.11 -3.12 115.31 119.80 2k42 h LEU 32 Ca -0.39 -0.25 0.10 0.00 0.13 0.00 0.00 57.88 57.47 2k42 h LEU 32 Cb 1.66 0.07 -0.06 0.00 -0.53 0.00 0.00 40.66 41.81 2k42 h LEU 32 CO -0.07 0.17 0.53 -0.26 -0.13 0.00 0.00 178.44 178.68 2k42 h PHE 33 N -0.78 0.80 -0.19 1.25 0.04 -1.44 0.38 116.94 117.01 2k42 h PHE 33 Ca -0.03 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 2k42 h PHE 33 Cb 0.51 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 2k42 h PHE 33 CO 0.05 0.36 -0.08 1.03 -0.60 0.00 0.00 178.31 179.08 2k42 h SER 34 N 0.74 0.27 0.94 2.17 0.87 -1.68 -0.63 113.55 116.22 2k42 h SER 34 Ca 0.38 -0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.78 2k42 h SER 34 Cb 0.48 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 2k42 h SER 34 CO -0.15 0.38 -0.54 0.03 -0.53 0.00 0.00 176.83 176.02 2k42 h ARG 35 N 0.28 0.00 0.00 2.24 3.08 -0.24 -3.15 114.38 116.58 2k42 h ARG 35 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2k42 h ARG 35 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2k42 h ARG 35 CO 0.02 0.54 -0.27 0.00 -1.07 0.00 0.00 179.97 179.19 2k42 n ALA 36 N -2.32 2.56 0.00 0.04 0.00 -0.44 -4.91 120.51 115.44 2k42 n ALA 36 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2k42 n ALA 36 Cb 0.64 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 1.32 0.59 3.65 0.00 0.00 -0.76 -5.06 105.19 104.94 2k42 n GLY 37 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 4.09 0.63 -0.61 1.01 -0.35 -4.98 121.20 118.98 2k42 s ILE 38 Ca 0.00 1.30 0.04 0.00 0.00 0.00 0.00 60.65 61.99 2k42 s ILE 38 Cb 0.00 -3.89 0.10 0.00 0.01 0.00 0.00 42.46 38.68 2k42 s ILE 38 CO 0.00 -0.17 0.87 -0.55 0.00 0.00 0.00 174.94 175.09 2k42 s SER 39 N 2.51 4.79 0.15 3.58 0.15 -1.26 -3.98 113.70 119.64 2k42 s SER 39 Ca 0.60 -0.55 -0.24 0.00 0.70 0.00 0.00 55.95 56.46 2k42 s SER 39 Cb -0.24 0.03 0.03 0.00 -1.71 0.00 0.00 66.02 64.13 2k42 s SER 39 CO 0.19 -1.54 1.61 -0.33 1.20 0.00 0.00 173.24 174.38 2k42 h GLU 40 N -0.13 -0.28 -0.25 5.44 5.08 -2.00 -1.64 114.58 120.81 2k42 h GLU 40 Ca -0.34 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.11 2k42 h GLU 40 Cb 1.28 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 2k42 h GLU 40 CO 0.41 -0.19 0.22 0.00 -1.00 0.00 0.00 179.01 178.46 2k42 h ALA 41 N 0.68 2.02 0.01 3.43 0.00 -1.96 -0.64 119.26 122.81 2k42 h ALA 41 Ca 0.14 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 2k42 h ALA 41 Cb 0.52 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2k42 h ALA 41 CO -0.45 -0.35 -1.27 1.96 0.00 0.00 0.00 179.25 179.15 2k42 h GLN 42 N 0.00 0.02 0.00 0.00 4.20 -1.69 -2.06 115.11 115.58 2k42 h GLN 42 Ca 0.12 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2k42 h GLN 42 Cb 0.55 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2k42 h GLN 42 CO -0.00 0.84 0.00 -0.07 -0.67 0.00 0.00 178.83 178.93 2k42 h LEU 43 N 0.00 0.00 -2.92 1.46 3.38 -0.75 -2.35 115.31 114.13 2k42 h LEU 43 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2k42 h LEU 43 Cb 1.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.62 2k42 h LEU 43 CO 0.12 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.00 2k42 n THR 44 N -2.90 1.29 -3.44 0.22 -2.24 -0.87 -0.31 114.28 106.04 2k42 n THR 44 Ca 0.02 -1.11 -0.36 0.00 -2.27 0.00 0.00 64.05 60.34 2k42 n THR 44 Cb 0.36 0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.89 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 -1.04 6.78 0.00 3.42 2.15 -0.79 -4.65 116.67 122.54 2k42 s ASP 45 Ca 0.41 0.98 -0.02 0.00 0.43 0.00 0.00 52.55 54.35 2k42 s ASP 45 Cb 0.24 -2.25 -0.01 0.00 -0.30 0.00 0.00 42.92 40.60 2k42 s ASP 45 CO 0.24 0.16 1.03 0.00 -0.17 0.00 0.00 175.17 176.43 2k42 h ALA 46 N 3.77 -1.00 -0.16 3.66 0.00 -1.87 -0.36 119.26 123.31 2k42 h ALA 46 Ca -0.49 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 2k42 h ALA 46 Cb 1.20 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2k42 h ALA 46 CO 0.65 -1.00 -0.55 1.05 0.00 0.00 0.00 179.25 179.40 2k42 h GLU 47 N -0.08 0.47 0.05 0.00 4.11 -1.94 -2.47 114.58 114.73 2k42 h GLU 47 Ca -0.01 -0.30 -0.00 0.00 0.07 0.00 0.00 59.36 59.12 2k42 h GLU 47 Cb 0.06 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2k42 h GLU 47 CO 0.01 0.90 -0.02 1.15 0.07 0.00 0.00 179.01 181.12 2k42 h THR 48 N 0.36 0.97 -0.26 -1.06 2.02 -1.82 -1.34 112.91 111.78 2k42 h THR 48 Ca 0.01 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 2k42 h THR 48 Cb 1.08 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2k42 h THR 48 CO 0.10 0.02 -0.10 -1.28 0.37 0.00 0.00 175.52 174.62 2k42 h SER 49 N -0.10 0.55 0.19 4.18 0.87 -1.01 -1.69 113.55 116.53 2k42 h SER 49 Ca -0.01 -0.39 -0.08 0.00 -1.23 0.00 0.00 61.79 60.08 2k42 h SER 49 Cb 0.08 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2k42 h SER 49 CO 0.01 0.82 -0.30 0.50 -0.53 0.00 0.00 176.83 177.33 2k42 h LYS 50 N 0.27 0.19 0.00 2.24 3.64 -1.41 0.17 116.57 121.66 2k42 h LYS 50 Ca 0.06 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.22 2k42 h LYS 50 Cb 0.60 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2k42 h LYS 50 CO 0.03 0.47 -0.72 -0.07 -2.27 0.00 0.00 179.45 176.90 2k42 h LEU 51 N 0.17 0.00 -0.23 5.20 3.38 -1.10 0.17 115.31 122.89 2k42 h LEU 51 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2k42 h LEU 51 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2k42 h LEU 51 CO 0.05 0.72 -0.17 0.40 0.09 0.00 0.00 178.44 179.52 2k42 h ILE 52 N 0.00 1.31 -0.79 1.22 2.04 -0.58 0.46 117.51 121.18 2k42 h ILE 52 Ca -0.01 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.54 2k42 h ILE 52 Cb 1.36 1.66 -0.04 0.00 -0.74 0.00 0.00 36.82 39.06 2k42 h ILE 52 CO 0.09 0.40 0.44 0.22 0.00 0.00 0.00 178.15 179.31 2k42 h TYR 53 N 0.23 1.07 0.00 1.37 3.20 -0.57 -0.56 116.97 121.71 2k42 h TYR 53 Ca 0.04 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 2k42 h TYR 53 Cb 0.71 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 2k42 h TYR 53 CO 0.07 0.74 -0.38 0.22 -1.64 0.00 0.00 178.16 177.18 2k42 h ASP 54 N 1.09 0.00 -0.22 -2.11 3.58 -0.66 -2.61 116.42 115.50 2k42 h ASP 54 Ca 0.28 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.71 2k42 h ASP 54 Cb 0.02 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2k42 h ASP 54 CO -0.05 0.38 0.07 0.15 -2.88 0.00 0.00 179.24 176.91 2k42 h PHE 55 N 0.00 0.34 -0.50 0.28 3.57 0.42 0.50 116.94 121.56 2k42 h PHE 55 Ca -0.00 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 2k42 h PHE 55 Cb 0.70 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 2k42 h PHE 55 CO 0.00 0.40 0.17 0.82 -2.23 0.00 0.00 178.31 177.47 2k42 h ILE 56 N 0.18 1.19 -0.12 1.41 2.04 -0.95 -0.43 117.51 120.84 2k42 h ILE 56 Ca 0.07 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 2k42 h ILE 56 Cb 0.21 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2k42 h ILE 56 CO -0.00 0.24 -0.07 -0.33 0.00 0.00 0.00 178.15 177.99 2k42 h GLU 57 N 0.71 0.26 -0.92 2.37 5.08 -1.20 -0.02 114.58 120.87 2k42 h GLU 57 Ca 0.17 -0.12 0.19 0.00 -1.00 0.00 0.00 59.36 58.59 2k42 h GLU 57 Cb 0.18 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 2k42 h GLU 57 CO -0.01 0.62 0.59 0.22 -1.00 0.00 0.00 179.01 179.43 2k42 h ASP 58 N -0.09 0.54 0.91 1.42 3.58 0.58 0.18 116.42 123.53 2k42 h ASP 58 Ca 0.03 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2k42 h ASP 58 Cb 0.54 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2k42 h ASP 58 CO 0.02 0.23 0.00 0.00 -2.88 0.00 0.00 179.24 176.61 2k42 n GLN 59 N -4.57 0.09 0.00 0.28 3.00 -0.22 -4.86 117.38 111.10 2k42 n GLN 59 Ca 0.19 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 2k42 n GLN 59 Cb 0.62 -1.63 0.00 0.00 0.00 0.00 0.00 30.24 29.22 2k42 n GLN 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k42 n GLY 60 N 0.76 1.38 0.00 1.08 0.00 0.63 -4.80 105.19 104.24 2k42 n GLY 60 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.02 0.68 0.09 -0.02 0.00 -0.03 -4.79 105.19 101.10 2k42 n GLY 61 Ca 0.00 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.81 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 0.17 -1.76 0.99 3.38 -1.67 -2.78 115.31 113.65 2k42 h LEU 62 Ca 0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 2k42 h LEU 62 Cb 0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2k42 h LEU 62 CO 0.00 0.35 0.12 -0.33 0.09 0.00 0.00 178.44 178.67 2k42 h GLU 63 N -0.01 0.27 -0.73 1.13 4.39 -1.91 -2.69 114.58 115.03 2k42 h GLU 63 Ca 0.04 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 2k42 h GLU 63 Cb 0.25 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 2k42 h GLU 63 CO 0.00 0.20 0.44 0.00 -1.16 0.00 0.00 179.01 178.49 2k42 h ALA 64 N 1.85 0.93 -0.31 3.43 0.00 -1.80 0.50 119.26 123.86 2k42 h ALA 64 Ca 0.07 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2k42 h ALA 64 Cb 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 2k42 h ALA 64 CO -0.01 0.40 -0.40 0.28 0.00 0.00 0.00 179.25 179.52 2k42 h VAL 65 N 0.99 1.29 0.00 0.00 2.07 -1.51 -2.36 116.25 116.73 2k42 h VAL 65 Ca 0.26 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 2k42 h VAL 65 Cb -0.03 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2k42 h VAL 65 CO -0.05 0.51 -0.09 0.03 0.02 0.00 0.00 177.57 178.00 2k42 h ARG 66 N 0.58 0.00 -0.09 1.57 3.08 -1.13 -2.03 114.38 116.37 2k42 h ARG 66 Ca 0.04 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.95 2k42 h ARG 66 Cb 0.99 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.05 2k42 h ARG 66 CO 0.09 0.09 -0.48 1.96 -1.07 0.00 0.00 179.97 180.57 2k42 h GLN 67 N 0.00 0.48 0.00 0.04 4.20 0.24 -3.24 115.11 116.83 2k42 h GLN 67 Ca -0.00 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.30 2k42 h GLN 67 Cb 0.49 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 2k42 h GLN 67 CO 0.01 1.03 -0.04 0.93 -0.67 0.00 0.00 178.83 180.10 2k42 h GLU 68 N 0.05 0.00 -0.21 1.46 5.08 -0.85 0.63 114.58 120.74 2k42 h GLU 68 Ca -0.03 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2k42 h GLU 68 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2k42 h GLU 68 CO 0.10 0.04 0.19 0.52 -1.00 0.00 0.00 179.01 178.85 2k42 h MET 69 N 0.00 0.00 0.00 2.33 2.86 -1.50 -2.48 114.93 116.14 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 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2k42 h MET 69 CO 0.00 0.00 -0.40 0.54 1.06 0.00 0.00 176.91 178.11 2k42 n ARG 70 N -4.10 4.49 0.08 1.72 1.74 0.96 -4.73 116.66 116.82 2k42 n ARG 70 Ca 0.02 -0.01 -0.04 0.00 -0.77 0.00 0.00 57.85 57.06 2k42 n ARG 70 Cb 0.32 -0.78 -0.02 0.00 -1.02 0.00 0.00 32.46 30.97 2k42 n ARG 70 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2k42 h ARG 71 N 0.00 -0.22 0.00 5.56 2.43 0.45 -3.52 114.38 119.08 2k42 h ARG 71 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2k42 h ARG 71 Cb 0.12 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2k42 h ARG 71 CO 0.00 -0.15 0.00 1.04 -1.51 0.00 0.00 179.97 179.35