#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkc s ASP 8 N 0.00 1.80 0.19 4.52 1.47 -1.26 -5.05 116.67 118.33 2bkc s ASP 8 Ca 0.00 -1.58 -0.12 0.00 1.18 0.00 0.00 52.55 52.03 2bkc s ASP 8 Cb 0.00 0.39 0.18 0.00 -0.34 0.00 0.00 42.92 43.15 2bkc s ASP 8 CO 0.00 -0.89 1.75 0.74 0.68 0.00 0.00 175.17 177.46 2bkc h THR 9 N 2.14 0.84 -0.56 2.11 2.02 -1.98 -0.76 112.91 116.72 2bkc h THR 9 Ca -0.34 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 2bkc h THR 9 Cb 1.25 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 2bkc h THR 9 CO 0.53 0.07 0.23 0.11 0.37 0.00 0.00 175.52 176.83 2bkc h LYS 10 N 0.38 0.83 -0.13 6.66 1.57 -1.97 -1.51 116.57 122.41 2bkc h LYS 10 Ca 0.25 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.73 2bkc h LYS 10 Cb 0.25 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2bkc h LYS 10 CO -0.24 0.71 -0.57 0.93 -0.57 0.00 0.00 179.45 179.72 2bkc h GLU 11 N 0.77 0.39 0.30 3.15 5.08 -1.91 -2.09 114.58 120.27 2bkc h GLU 11 Ca 0.19 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2bkc h GLU 11 Cb 0.18 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2bkc h GLU 11 CO -0.02 0.85 -0.15 0.35 -1.00 0.00 0.00 179.01 179.04 2bkc h PHE 12 N 0.29 -0.38 -0.42 4.33 3.57 -0.83 -0.66 116.94 122.84 2bkc h PHE 12 Ca 0.00 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.57 2bkc h PHE 12 Cb 1.08 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.87 2bkc h PHE 12 CO 0.03 -0.19 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.82 2bkc h LEU 13 N -0.48 -0.25 -1.16 0.59 4.07 -1.26 0.79 115.31 117.61 2bkc h LEU 13 Ca -0.04 0.11 -0.06 0.00 0.08 0.00 0.00 57.88 57.96 2bkc h LEU 13 Cb 0.36 0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.29 2bkc h LEU 13 CO 0.07 -0.08 -0.08 -1.13 -1.08 0.00 0.00 178.44 176.14 2bkc h ASN 14 N 0.07 0.47 -0.53 -0.43 -0.73 -1.32 -0.19 115.58 112.92 2bkc h ASN 14 Ca 0.21 -0.11 -0.08 0.00 1.87 0.00 0.00 56.30 58.20 2bkc h ASN 14 Cb 0.31 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.75 2bkc h ASN 14 CO -0.38 0.60 0.05 -0.74 -0.37 0.00 0.00 177.43 176.59 2bkc h HIS 15 N 0.46 1.01 0.00 0.67 2.76 0.23 -2.57 115.15 117.71 2bkc h HIS 15 Ca 0.09 -0.14 -0.07 0.00 -2.20 0.00 0.00 60.37 58.05 2bkc h HIS 15 Cb 0.43 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 2bkc h HIS 15 CO 0.01 0.88 -0.35 1.96 -1.30 0.00 0.00 177.93 179.14 2bkc h GLN 16 N 0.89 0.00 -0.41 5.26 1.08 0.34 -0.79 115.11 121.48 2bkc h GLN 16 Ca 0.17 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 2bkc h GLN 16 Cb 0.44 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 2bkc h GLN 16 CO 0.02 0.35 0.22 0.28 -0.95 0.00 0.00 178.83 178.74 2bkc h VAL 17 N 0.00 1.15 -0.38 -0.54 2.07 -0.77 0.15 116.25 117.95 2bkc h VAL 17 Ca -0.00 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 2bkc h VAL 17 Cb 0.88 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2bkc h VAL 17 CO 0.04 0.16 0.17 0.00 0.02 0.00 0.00 177.57 177.96 2bkc h ALA 18 N 1.08 0.49 -0.12 1.67 0.00 -1.27 -2.88 119.26 118.21 2bkc h ALA 18 Ca 0.14 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2bkc h ALA 18 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2bkc h ALA 18 CO -0.02 0.07 0.05 -0.91 0.00 0.00 0.00 179.25 178.44 2bkc h ASN 19 N 0.47 0.07 -0.55 0.00 2.35 -0.71 -2.99 115.58 114.22 2bkc h ASN 19 Ca 0.13 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 2bkc h ASN 19 Cb 0.15 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 2bkc h ASN 19 CO -0.01 0.06 0.22 -0.07 -1.65 0.00 0.00 177.43 175.97 2bkc h LEU 20 N 0.12 0.80 -0.60 1.61 4.07 -0.95 -1.16 115.31 119.20 2bkc h LEU 20 Ca 0.05 -0.11 -0.15 0.00 0.08 0.00 0.00 57.88 57.75 2bkc h LEU 20 Cb 0.02 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 2bkc h LEU 20 CO -0.04 0.73 -0.54 0.78 -1.08 0.00 0.00 178.44 178.28 2bkc h ASN 21 N 0.85 0.48 -0.10 -0.43 2.35 -1.39 0.11 115.58 117.47 2bkc h ASN 21 Ca 0.20 -0.26 -0.15 0.00 -0.55 0.00 0.00 56.30 55.54 2bkc h ASN 21 Cb 0.20 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2bkc h ASN 21 CO -0.01 0.93 -0.48 0.58 -1.65 0.00 0.00 177.43 176.80 2bkc h VAL 22 N 0.34 1.30 -0.21 2.81 2.07 -1.30 -3.06 116.25 118.21 2bkc h VAL 22 Ca 0.01 -1.68 -0.11 0.00 0.82 0.00 0.00 66.70 65.73 2bkc h VAL 22 Cb 1.06 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2bkc h VAL 22 CO 0.10 0.53 -0.36 0.15 0.02 0.00 0.00 177.57 178.00 2bkc h PHE 23 N 0.52 0.52 -0.26 1.57 3.57 -0.70 -1.87 116.94 120.30 2bkc h PHE 23 Ca 0.03 -0.14 -0.10 0.00 3.53 0.00 0.00 57.97 61.30 2bkc h PHE 23 Cb 1.02 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 2bkc h PHE 23 CO 0.05 0.75 -0.21 0.00 -2.23 0.00 0.00 178.31 176.67 2bkc h THR 24 N 0.38 1.31 -0.03 4.41 1.03 -0.82 -0.89 112.91 118.30 2bkc h THR 24 Ca 0.04 -1.36 -0.11 0.00 -0.01 0.00 0.00 66.41 64.97 2bkc h THR 24 Cb 0.81 1.62 -0.01 0.00 -1.07 0.00 0.00 68.15 69.50 2bkc h THR 24 CO 0.07 0.43 -0.48 0.58 -0.01 0.00 0.00 175.52 176.11 2bkc h VAL 25 N 0.32 1.34 -0.51 0.00 2.07 -1.50 -2.56 116.25 115.42 2bkc h VAL 25 Ca 0.05 -1.66 -0.07 0.00 0.82 0.00 0.00 66.70 65.84 2bkc h VAL 25 Cb 0.76 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 2bkc h VAL 25 CO 0.06 0.48 0.05 0.50 0.02 0.00 0.00 177.57 178.67 2bkc h LYS 26 N 0.05 0.81 -0.63 1.57 3.64 -1.00 -1.21 116.57 119.81 2bkc h LYS 26 Ca -0.00 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.14 2bkc h LYS 26 Cb 0.87 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 2bkc h LYS 26 CO 0.07 0.79 0.22 0.82 -2.27 0.00 0.00 179.45 179.08 2bkc h ILE 27 N 0.77 1.24 -0.99 2.00 2.04 -0.80 -0.75 117.51 121.02 2bkc h ILE 27 Ca 0.16 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.27 2bkc h ILE 27 Cb 0.39 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 2bkc h ILE 27 CO 0.01 0.30 0.65 0.45 0.00 0.00 0.00 178.15 179.56 2bkc h HIS 28 N 0.89 1.21 -0.06 1.37 3.86 -1.29 -1.72 115.15 119.42 2bkc h HIS 28 Ca 0.21 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 2bkc h HIS 28 Cb 0.25 -0.41 -0.00 0.00 1.06 0.00 0.00 27.41 28.31 2bkc h HIS 28 CO 0.02 0.71 0.03 0.37 0.86 0.00 0.00 177.93 179.91 2bkc h GLN 29 N 1.26 0.06 -0.48 2.45 4.15 -0.56 -1.21 115.11 120.78 2bkc h GLN 29 Ca 0.39 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.81 2bkc h GLN 29 Cb -0.02 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 2bkc h GLN 29 CO -0.12 0.04 0.32 0.82 -1.93 0.00 0.00 178.83 177.96 2bkc h ILE 30 N 0.07 1.12 -0.18 2.39 2.04 -0.89 -2.39 117.51 119.67 2bkc h ILE 30 Ca 0.02 -0.22 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 2bkc h ILE 30 Cb -0.00 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2bkc h ILE 30 CO -0.01 0.12 -0.36 -0.74 0.00 0.00 0.00 178.15 177.16 2bkc h HIS 31 N 0.65 0.44 0.01 1.37 2.76 -1.15 -1.84 115.15 117.38 2bkc h HIS 31 Ca 0.18 -0.11 -0.26 0.00 -2.20 0.00 0.00 60.37 57.97 2bkc h HIS 31 Cb -0.07 -0.10 0.02 0.00 1.55 0.00 0.00 27.41 28.81 2bkc h HIS 31 CO -0.04 0.69 -1.04 -1.49 -1.30 0.00 0.00 177.93 174.74 2bkc h TRP 32 N 0.32 0.97 -0.01 5.26 6.55 -1.05 -3.34 115.95 124.65 2bkc h TRP 32 Ca 0.04 -0.53 0.00 0.00 0.95 0.00 0.00 58.89 59.34 2bkc h TRP 32 Cb 0.78 -0.11 0.00 0.00 -0.86 0.00 0.00 29.16 28.97 2bkc h TRP 32 CO 0.02 1.37 -0.44 0.66 -1.05 0.00 0.00 178.44 179.00 2bkc n TYR 33 N -3.83 0.00 -2.03 0.49 4.02 -0.91 -4.98 117.16 109.92 2bkc n TYR 33 Ca -0.10 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.40 2bkc n TYR 33 Cb 0.88 -0.04 0.01 0.00 -0.02 0.00 0.00 39.34 40.17 2bkc n TYR 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bkc s MET 34 N -2.52 3.73 0.02 -0.72 0.23 -0.69 -4.94 119.30 114.41 2bkc s MET 34 Ca 0.20 2.10 -0.04 0.00 -1.03 0.00 0.00 55.69 56.91 2bkc s MET 34 Cb 0.18 -2.56 -0.01 0.00 -1.53 0.00 0.00 34.83 30.91 2bkc s MET 34 CO 0.57 -0.67 0.07 1.03 -2.03 0.00 0.00 175.02 173.99 2bkc s ARG 35 N -2.50 0.47 0.00 3.16 0.52 -1.26 -5.01 118.95 114.33 2bkc s ARG 35 Ca 0.62 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 2bkc s ARG 35 Cb -0.37 0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.29 2bkc s ARG 35 CO 0.46 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 176.08 2bkc n GLY 36 N 1.25 1.88 0.36 -3.53 0.00 -1.26 -4.37 105.19 99.52 2bkc n GLY 36 Ca -0.22 -2.22 0.19 0.00 0.00 0.00 0.00 46.02 43.77 2bkc n GLY 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2bkc h HIS 37 N 0.00 0.00 -0.20 1.61 3.86 -2.06 -0.57 115.15 117.79 2bkc h HIS 37 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2bkc h HIS 37 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2bkc h HIS 37 CO 0.00 0.00 0.00 0.09 0.86 0.00 0.00 177.93 178.88 2bkc n ASN 38 N -3.89 1.26 -0.04 2.45 5.03 -1.26 -4.57 115.26 114.24 2bkc n ASN 38 Ca 0.05 -2.04 -0.00 0.00 0.87 0.00 0.00 54.58 53.46 2bkc n ASN 38 Cb 0.47 -0.19 0.28 0.00 -1.02 0.00 0.00 39.78 39.32 2bkc n ASN 38 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 2bkc h PHE 39 N 1.18 0.63 0.02 3.10 3.57 -1.42 -0.10 116.94 123.91 2bkc h PHE 39 Ca 0.00 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.36 2bkc h PHE 39 Cb 0.36 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 38.92 2bkc h PHE 39 CO 0.16 0.56 -0.35 0.74 -2.23 0.00 0.00 178.31 177.19 2bkc h PHE 40 N 0.60 0.32 0.11 0.41 -1.00 -1.84 -1.60 116.94 113.94 2bkc h PHE 40 Ca 0.13 -0.19 -0.27 0.00 2.81 0.00 0.00 57.97 60.46 2bkc h PHE 40 Cb 0.27 -0.03 0.01 0.00 3.61 0.00 0.00 35.95 39.80 2bkc h PHE 40 CO 0.01 1.02 -1.20 0.00 -1.61 0.00 0.00 178.31 176.53 2bkc h THR 41 N -0.47 1.48 -0.01 -1.55 1.03 -1.84 -2.65 112.91 108.90 2bkc h THR 41 Ca -0.05 -2.96 -0.18 0.00 -0.01 0.00 0.00 66.41 63.21 2bkc h THR 41 Cb 1.13 2.87 -0.02 0.00 -1.07 0.00 0.00 68.15 71.07 2bkc h THR 41 CO 0.07 0.87 -0.79 -0.07 -0.01 0.00 0.00 175.52 175.58 2bkc h LEU 42 N 0.10 0.16 -0.43 0.00 -0.00 -1.17 -2.31 115.31 111.66 2bkc h LEU 42 Ca -0.13 -0.12 0.06 0.00 -0.00 0.00 0.00 57.88 57.69 2bkc h LEU 42 Cb 1.92 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 42.48 2bkc h LEU 42 CO 0.20 0.89 0.14 1.23 -0.00 0.00 0.00 178.44 180.89 2bkc h GLY 43 N 1.95 0.55 1.25 0.83 0.00 -1.24 0.18 103.07 106.58 2bkc h GLY 43 Ca -0.02 -0.07 -0.19 0.00 0.00 0.00 0.00 47.33 47.04 2bkc h GLY 43 CO 0.11 0.00 -0.63 -2.09 0.00 0.00 0.00 176.54 173.94 2bkc h GLU 44 N 0.29 0.77 -1.00 4.80 4.57 -1.45 -2.06 114.58 120.50 2bkc h GLU 44 Ca 0.21 -0.54 0.18 0.00 -1.18 0.00 0.00 59.36 58.03 2bkc h GLU 44 Cb 0.21 0.08 -0.10 0.00 -0.16 0.00 0.00 28.75 28.78 2bkc h GLU 44 CO -0.22 1.16 0.62 -0.22 -1.18 0.00 0.00 179.01 179.16 2bkc h LYS 45 N 0.57 0.78 -0.00 1.92 1.63 -1.04 -2.03 116.57 118.39 2bkc h LYS 45 Ca -0.01 -0.05 -0.21 0.00 -0.85 0.00 0.00 60.65 59.53 2bkc h LYS 45 Cb 1.23 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 32.68 2bkc h LYS 45 CO 0.13 0.52 -0.91 0.52 -3.45 0.00 0.00 179.45 176.26 2bkc h MET 46 N 0.80 0.34 -0.64 1.90 2.86 -0.46 -2.26 114.93 117.46 2bkc h MET 46 Ca 0.56 -0.36 0.08 0.00 -2.06 0.00 0.00 59.70 57.92 2bkc h MET 46 Cb 0.83 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.53 2bkc h MET 46 CO -0.36 1.05 0.31 -0.44 1.06 0.00 0.00 176.91 178.53 2bkc h ASP 47 N 0.19 0.40 -0.29 1.22 3.32 -0.94 -0.19 116.42 120.13 2bkc h ASP 47 Ca -0.07 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 2bkc h ASP 47 Cb 1.54 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 41.06 2bkc h ASP 47 CO 0.15 0.24 -0.15 0.44 -1.72 0.00 0.00 179.24 178.21 2bkc h ASP 48 N 0.55 0.72 -0.11 6.45 5.19 -1.30 -2.61 116.42 125.31 2bkc h ASP 48 Ca 0.31 -0.22 -0.09 0.00 -0.62 0.00 0.00 57.03 56.41 2bkc h ASP 48 Cb 0.30 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.62 2bkc h ASP 48 CO -0.25 0.88 -0.27 0.25 -3.12 0.00 0.00 179.24 176.74 2bkc h LEU 49 N 0.66 0.43 -0.45 1.55 5.85 -1.13 -1.78 115.31 120.43 2bkc h LEU 49 Ca 0.11 -0.58 0.08 0.00 0.84 0.00 0.00 57.88 58.33 2bkc h LEU 49 Cb 0.62 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 2bkc h LEU 49 CO 0.04 0.93 0.04 0.22 -0.34 0.00 0.00 178.44 179.33 2bkc h TYR 50 N -0.05 0.04 -0.51 1.25 5.03 -1.04 -0.87 116.97 120.82 2bkc h TYR 50 Ca -0.00 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.35 2bkc h TYR 50 Cb 0.87 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 39.17 2bkc h TYR 50 CO 0.11 -0.06 0.33 0.77 -1.32 0.00 0.00 178.16 177.99 2bkc h SER 51 N 0.15 0.57 -0.22 -2.11 0.02 -1.42 -1.30 113.55 109.24 2bkc h SER 51 Ca 0.23 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 61.01 2bkc h SER 51 Cb 0.32 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2bkc h SER 51 CO -0.34 0.41 -0.48 -0.08 -1.14 0.00 0.00 176.83 175.20 2bkc h GLU 52 N 0.68 0.72 0.00 3.45 4.81 -0.77 -2.25 114.58 121.22 2bkc h GLU 52 Ca 0.19 -0.47 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 2bkc h GLU 52 Cb -0.06 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2bkc h GLU 52 CO -0.05 1.10 -0.13 0.74 -0.73 0.00 0.00 179.01 179.93 2bkc h PHE 53 N 0.44 0.00 -0.66 0.92 -1.00 -1.20 -1.47 116.94 113.96 2bkc h PHE 53 Ca 0.00 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 2bkc h PHE 53 Cb 1.09 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.62 2bkc h PHE 53 CO 0.09 0.13 0.17 0.78 -1.61 0.00 0.00 178.31 177.87 2bkc h GLY 54 N 3.26 1.14 0.93 -1.45 0.00 -1.08 -2.12 103.07 103.74 2bkc h GLY 54 Ca -0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 2bkc h GLY 54 CO 0.02 0.66 -0.06 0.83 0.00 0.00 0.00 176.54 177.99 2bkc h GLU 55 N 0.98 0.66 -0.56 4.80 5.08 -1.15 -2.29 114.58 122.10 2bkc h GLU 55 Ca 0.21 -0.24 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 2bkc h GLU 55 Cb 0.35 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.48 2bkc h GLU 55 CO 0.00 0.81 0.12 1.96 -1.00 0.00 0.00 179.01 180.90 2bkc h GLN 56 N 0.45 0.25 0.68 2.33 4.20 -1.25 -1.70 115.11 120.07 2bkc h GLN 56 Ca 0.09 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 2bkc h GLN 56 Cb 0.55 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 2bkc h GLN 56 CO 0.03 0.16 -0.42 1.98 -0.67 0.00 0.00 178.83 179.92 2bkc h MET 57 N 0.26 -0.99 -0.96 1.46 4.05 -1.22 0.16 114.93 117.69 2bkc h MET 57 Ca 0.29 0.07 0.19 0.00 -0.28 0.00 0.00 59.70 59.96 2bkc h MET 57 Cb 0.41 0.22 -0.18 0.00 -0.80 0.00 0.00 31.60 31.25 2bkc h MET 57 CO -0.37 -0.66 -0.26 -0.25 0.23 0.00 0.00 176.91 175.61 2bkc n ASP 58 N -5.04 -0.38 0.14 1.39 10.43 -0.88 -0.69 116.55 121.52 2bkc n ASP 58 Ca -0.13 1.66 -0.01 0.00 2.57 0.00 0.00 54.79 58.88 2bkc n ASP 58 Cb 0.43 -0.49 0.20 0.00 1.84 0.00 0.00 41.12 43.10 2bkc n ASP 58 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 2bkc h GLU 59 N 0.00 0.04 -0.15 -1.24 5.08 -0.41 0.22 114.58 118.11 2bkc h GLU 59 Ca 0.45 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.71 2bkc h GLU 59 Cb 0.69 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 2bkc h GLU 59 CO -0.99 0.59 -0.18 0.28 -1.00 0.00 0.00 179.01 177.71 2bkc h VAL 60 N 0.03 1.35 -0.53 3.13 2.07 0.16 -1.35 116.25 121.11 2bkc h VAL 60 Ca -0.00 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 2bkc h VAL 60 Cb 0.99 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 2bkc h VAL 60 CO 0.07 0.41 0.29 0.00 0.02 0.00 0.00 177.57 178.36 2bkc h ALA 61 N 0.60 0.68 -0.57 1.67 0.00 -0.57 -0.85 119.26 120.23 2bkc h ALA 61 Ca 0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2bkc h ALA 61 Cb 0.73 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2bkc h ALA 61 CO 0.04 0.21 0.06 0.93 0.00 0.00 0.00 179.25 180.49 2bkc h GLU 62 N 0.71 0.93 -0.22 0.00 5.08 -0.58 -0.23 114.58 120.27 2bkc h GLU 62 Ca 0.19 -0.25 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 2bkc h GLU 62 Cb 0.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2bkc h GLU 62 CO -0.03 0.89 -0.49 -0.09 -1.00 0.00 0.00 179.01 178.29 2bkc h ARG 63 N 0.87 0.59 -0.43 2.33 9.65 -0.99 -0.17 114.38 126.24 2bkc h ARG 63 Ca 0.17 -0.34 -0.06 0.00 -1.10 0.00 0.00 59.98 58.65 2bkc h ARG 63 Cb 0.44 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.02 2bkc h ARG 63 CO 0.02 0.95 0.03 1.25 2.80 0.00 0.00 179.97 185.02 2bkc h LEU 64 N 0.47 0.63 -0.73 3.80 5.85 -0.84 -2.08 115.31 122.41 2bkc h LEU 64 Ca 0.02 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 2bkc h LEU 64 Cb 1.03 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 2bkc h LEU 64 CO 0.10 0.68 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.76 2bkc h LEU 65 N 0.64 0.92 -0.78 2.25 4.07 -0.67 0.13 115.31 121.86 2bkc h LEU 65 Ca 0.14 -0.26 -0.08 0.00 0.08 0.00 0.00 57.88 57.76 2bkc h LEU 65 Cb 0.35 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 2bkc h LEU 65 CO 0.01 1.00 -0.36 0.00 -1.08 0.00 0.00 178.44 178.01 2bkc h ALA 66 N 1.09 0.93 -0.45 1.53 0.00 -0.43 -2.69 119.26 119.24 2bkc h ALA 66 Ca 0.15 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2bkc h ALA 66 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2bkc h ALA 66 CO 0.03 0.45 0.00 0.44 0.00 0.00 0.00 179.25 180.17 2bkc n ILE 67 N -3.42 1.53 -0.01 0.00 -5.35 -0.84 -4.91 119.36 106.36 2bkc n ILE 67 Ca 0.00 -0.89 0.00 0.00 -0.27 0.00 0.00 62.75 61.59 2bkc n ILE 67 Cb 0.54 -0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 2bkc n ILE 67 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bkc n GLY 68 N 0.75 0.99 3.97 3.28 0.00 -1.02 -5.07 105.19 108.10 2bkc n GLY 68 Ca 0.19 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 2bkc n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bkc s GLY 69 N -2.00 1.79 -0.24 -0.02 0.00 0.43 -5.01 107.32 102.27 2bkc s GLY 69 Ca 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 44.72 43.32 2bkc s GLY 69 CO 0.00 -1.01 0.04 -0.56 0.00 0.00 0.00 173.10 171.57 2bkc s SER 70 N -4.53 3.42 0.49 1.64 0.01 -1.26 -4.38 113.70 109.09 2bkc s SER 70 Ca 0.60 -1.13 -0.22 0.00 1.31 0.00 0.00 55.95 56.51 2bkc s SER 70 Cb -0.09 -0.77 -0.07 0.00 0.21 0.00 0.00 66.02 65.30 2bkc s SER 70 CO 0.41 -0.33 1.15 -2.16 0.41 0.00 0.00 173.24 172.72 2bkc s PRO 71 N 1.71 3.59 0.48 12.44 0.04 -1.26 -5.01 135.00 146.99 2bkc s PRO 71 Ca 0.01 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.53 2bkc s PRO 71 Cb -0.17 -2.24 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 2bkc s PRO 71 CO -0.13 -0.68 1.36 -0.06 0.04 0.00 0.00 177.00 177.53 2bkc s PHE 72 N -1.63 2.47 0.00 0.56 2.99 -1.26 -4.94 117.98 116.17 2bkc s PHE 72 Ca 0.67 1.35 0.06 0.00 0.00 0.00 0.00 56.93 59.02 2bkc s PHE 72 Cb -0.27 -3.79 0.11 0.00 0.00 0.00 0.00 43.02 39.07 2bkc s PHE 72 CO 0.32 -2.68 0.95 -1.13 -0.00 0.00 0.00 175.22 172.68 2bkc n SER 73 N -0.52 0.16 -4.08 1.36 3.41 -1.26 -4.95 113.62 107.74 2bkc n SER 73 Ca 0.07 -1.83 -0.11 0.00 -0.26 0.00 0.00 58.87 56.75 2bkc n SER 73 Cb 0.44 -0.15 -0.11 0.00 -0.26 0.00 0.00 64.21 64.13 2bkc n SER 73 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2bkc s THR 74 N 0.00 0.44 0.15 6.66 -4.23 -1.26 -5.05 115.64 112.35 2bkc s THR 74 Ca 0.08 -1.36 -0.22 0.00 -1.18 0.00 0.00 61.69 59.01 2bkc s THR 74 Cb 0.10 -0.93 0.02 0.00 1.34 0.00 0.00 72.50 73.02 2bkc s THR 74 CO -0.04 -0.62 1.64 -0.07 -0.54 0.00 0.00 174.62 174.99 2bkc h LEU 75 N 3.96 -0.67 -0.86 4.79 4.07 -1.99 -2.08 115.31 122.53 2bkc h LEU 75 Ca -0.35 0.12 0.19 0.00 0.08 0.00 0.00 57.88 57.93 2bkc h LEU 75 Cb 1.19 0.32 -0.11 0.00 1.08 0.00 0.00 40.66 43.13 2bkc h LEU 75 CO 0.50 -0.25 0.38 0.50 -1.08 0.00 0.00 178.44 178.49 2bkc h LYS 76 N -0.22 0.43 -0.18 1.13 3.64 -1.98 0.20 116.57 119.59 2bkc h LYS 76 Ca 0.13 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.32 2bkc h LYS 76 Cb 0.42 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2bkc h LYS 76 CO -0.35 0.29 -0.56 0.93 -2.27 0.00 0.00 179.45 177.49 2bkc h GLU 77 N 0.45 0.55 0.10 1.90 5.08 -1.88 -1.78 114.58 119.00 2bkc h GLU 77 Ca 0.52 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2bkc h GLU 77 Cb 0.91 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2bkc h GLU 77 CO -0.48 0.97 -0.05 0.74 -1.00 0.00 0.00 179.01 179.19 2bkc h PHE 78 N 0.42 -0.12 -0.94 4.33 0.05 -0.57 -2.56 116.94 117.56 2bkc h PHE 78 Ca 0.01 -0.00 0.24 0.00 3.82 0.00 0.00 57.97 62.03 2bkc h PHE 78 Cb 1.11 0.04 -0.06 0.00 2.00 0.00 0.00 35.95 39.04 2bkc h PHE 78 CO 0.05 0.31 0.64 -0.07 -0.18 0.00 0.00 178.31 179.05 2bkc h LEU 79 N -0.59 0.25 -1.96 1.54 3.38 -0.67 -1.65 115.31 115.61 2bkc h LEU 79 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2bkc h LEU 79 Cb 0.48 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2bkc h LEU 79 CO 0.02 0.08 0.00 -1.84 0.09 0.00 0.00 178.44 176.79 2bkc n GLU 80 N -4.43 2.16 0.00 1.13 0.28 -0.67 -4.41 120.64 114.71 2bkc n GLU 80 Ca 0.20 -1.91 0.00 0.00 -0.16 0.00 0.00 57.16 55.29 2bkc n GLU 80 Cb 0.85 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 32.28 2bkc n GLU 80 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2bkc n ASN 81 N 1.28 0.88 -4.80 -1.84 4.13 -0.95 -5.07 115.26 108.89 2bkc n ASN 81 Ca 0.14 -0.41 -0.37 0.00 1.68 0.00 0.00 54.58 55.62 2bkc n ASN 81 Cb 0.56 0.99 -0.06 0.00 -1.54 0.00 0.00 39.78 39.73 2bkc n ASN 81 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2bkc s ALA 82 N -1.16 3.37 -1.01 5.41 0.00 -0.66 -4.93 121.76 122.78 2bkc s ALA 82 Ca 0.00 0.30 0.25 0.00 0.00 0.00 0.00 51.96 52.51 2bkc s ALA 82 Cb 0.00 -2.94 0.59 0.00 0.00 0.00 0.00 23.12 20.76 2bkc s ALA 82 CO 0.00 0.28 1.47 -1.13 0.00 0.00 0.00 175.76 176.38 2bkc n SER 83 N 0.90 0.46 -4.72 0.00 3.41 -1.26 -4.89 113.62 107.52 2bkc n SER 83 Ca -0.02 -0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 57.99 2bkc n SER 83 Cb 0.50 0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.59 2bkc n SER 83 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2bkc s VAL 84 N -2.99 4.40 0.03 -3.33 1.01 -1.26 -5.02 120.40 113.23 2bkc s VAL 84 Ca 0.12 1.84 -0.04 0.00 0.00 0.00 0.00 61.98 63.89 2bkc s VAL 84 Cb 0.18 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 2bkc s VAL 84 CO 0.68 0.21 0.25 -1.61 0.00 0.00 0.00 175.10 174.63 2bkc s GLU 85 N 0.53 3.52 0.16 2.72 0.41 -1.26 -4.98 118.70 119.80 2bkc s GLU 85 Ca 0.52 -0.20 0.05 0.00 -0.41 0.00 0.00 54.97 54.93 2bkc s GLU 85 Cb -0.25 -3.05 -0.05 0.00 -1.78 0.00 0.00 34.13 29.00 2bkc s GLU 85 CO 0.30 0.63 -0.09 -1.83 -0.49 0.00 0.00 175.26 173.77 2bkc s GLU 86 N -2.03 1.10 -0.22 1.61 -1.05 -1.26 -5.03 118.70 111.82 2bkc s GLU 86 Ca 0.30 -1.48 -0.16 0.00 -0.15 0.00 0.00 54.97 53.48 2bkc s GLU 86 Cb -0.13 -0.65 0.06 0.00 -0.44 0.00 0.00 34.13 32.98 2bkc s GLU 86 CO 0.20 0.07 0.56 0.00 0.95 0.00 0.00 175.26 177.03 2bkc s ALA 87 N -3.32 -1.43 0.91 -0.84 0.00 -1.26 -5.17 121.76 110.65 2bkc s ALA 87 Ca 0.18 1.80 -0.10 0.00 0.00 0.00 0.00 51.96 53.84 2bkc s ALA 87 Cb 0.03 -1.06 0.14 0.00 0.00 0.00 0.00 23.12 22.22 2bkc s ALA 87 CO 0.02 -0.30 1.13 -1.25 0.00 0.00 0.00 175.76 175.35 2bkc s PRO 88 N 0.97 1.10 -0.38 0.00 0.04 -1.26 -4.95 135.00 130.51 2bkc s PRO 88 Ca -0.05 1.40 -0.25 0.00 0.04 0.00 0.00 61.00 62.15 2bkc s PRO 88 Cb -0.05 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.75 2bkc s PRO 88 CO -0.09 -2.52 0.86 -0.47 0.04 0.00 0.00 177.00 174.82 2bkc s TYR 89 N -2.69 3.07 0.00 0.56 5.04 -1.26 -4.90 117.35 117.17 2bkc s TYR 89 Ca 0.66 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.90 2bkc s TYR 89 Cb -0.22 -3.59 0.00 0.00 0.35 0.00 0.00 41.96 38.50 2bkc s TYR 89 CO 0.58 -0.83 0.00 0.25 -1.34 0.00 0.00 175.55 174.21 2bkc n THR 90 N 5.96 0.00 -2.63 4.34 -2.24 -1.26 -5.07 114.28 113.38 2bkc n THR 90 Ca 0.05 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.43 2bkc n THR 90 Cb 0.48 -0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.36 2bkc n THR 90 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2bkc s LYS 91 N 0.00 4.74 0.63 -0.78 1.02 -1.26 -4.99 119.74 119.10 2bkc s LYS 91 Ca 0.00 1.61 -0.18 0.00 0.02 0.00 0.00 55.97 57.42 2bkc s LYS 91 Cb 0.00 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 2bkc s LYS 91 CO 0.00 0.33 0.89 -0.35 -0.92 0.00 0.00 175.35 175.30 2bkc n PRO 92 N 1.69 0.73 -4.26 -1.68 -0.04 -1.26 -5.02 135.00 125.17 2bkc n PRO 92 Ca -0.01 0.29 -0.22 0.00 -0.04 0.00 0.00 63.50 63.53 2bkc n PRO 92 Cb 0.46 -2.11 -0.12 0.00 -0.04 0.00 0.00 33.50 31.70 2bkc n PRO 92 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2bkc s LYS 93 N -2.80 1.06 0.62 0.54 1.02 -1.26 -5.14 119.74 113.77 2bkc s LYS 93 Ca 0.75 -1.15 -0.15 0.00 0.02 0.00 0.00 55.97 55.43 2bkc s LYS 93 Cb -0.40 -1.18 -0.02 0.00 -0.52 0.00 0.00 37.83 35.70 2bkc s LYS 93 CO 0.48 0.26 1.07 0.99 -0.92 0.00 0.00 175.35 177.24 2bkc s THR 94 N -1.43 3.65 0.19 2.17 2.01 -1.26 -4.83 115.64 116.14 2bkc s THR 94 Ca 0.06 0.77 -0.13 0.00 0.31 0.00 0.00 61.69 62.69 2bkc s THR 94 Cb -0.09 -3.30 0.12 0.00 0.01 0.00 0.00 72.50 69.24 2bkc s THR 94 CO 0.04 -0.48 1.70 -0.03 -0.69 0.00 0.00 174.62 175.16 2bkc h MET 95 N 0.26 0.17 -0.53 4.92 4.05 -1.98 -2.09 114.93 119.71 2bkc h MET 95 Ca -0.47 -0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.05 2bkc h MET 95 Cb 1.23 -0.04 -0.09 0.00 -0.80 0.00 0.00 31.60 31.90 2bkc h MET 95 CO 0.56 0.11 0.01 -0.44 0.23 0.00 0.00 176.91 177.39 2bkc h ASP 96 N 0.17 -0.21 -0.25 1.39 5.19 -1.95 -1.75 116.42 119.01 2bkc h ASP 96 Ca 0.25 0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.77 2bkc h ASP 96 Cb 0.36 0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 2bkc h ASP 96 CO -0.37 -0.07 0.11 1.56 -3.12 0.00 0.00 179.24 177.35 2bkc h GLN 97 N 0.13 0.43 -0.14 3.56 4.20 -1.81 -0.06 115.11 121.42 2bkc h GLN 97 Ca 0.27 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.86 2bkc h GLN 97 Cb 0.41 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2bkc h GLN 97 CO -0.44 0.38 -0.19 -0.07 -0.67 0.00 0.00 178.83 177.83 2bkc h LEU 98 N 0.43 0.41 -1.25 1.46 3.38 -0.77 -1.90 115.31 117.07 2bkc h LEU 98 Ca 0.11 -0.52 -0.07 0.00 0.09 0.00 0.00 57.88 57.49 2bkc h LEU 98 Cb 0.12 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2bkc h LEU 98 CO -0.01 0.85 -0.32 0.24 0.09 0.00 0.00 178.44 179.29 2bkc h MET 99 N -0.01 0.00 -0.08 1.13 2.86 -1.08 -0.05 114.93 117.69 2bkc h MET 99 Ca 0.01 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.44 2bkc h MET 99 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 2bkc h MET 99 CO 0.05 0.32 -0.83 0.93 1.06 0.00 0.00 176.91 178.44 2bkc h GLU 100 N 0.00 0.58 -0.43 1.72 5.08 -0.92 0.20 114.58 120.81 2bkc h GLU 100 Ca -0.00 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 2bkc h GLU 100 Cb 0.71 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2bkc h GLU 100 CO 0.04 1.14 0.23 0.22 -1.00 0.00 0.00 179.01 179.64 2bkc h ASP 101 N 0.37 0.54 -0.46 1.42 3.58 -1.03 -1.38 116.42 119.45 2bkc h ASP 101 Ca -0.06 -0.10 0.08 0.00 0.42 0.00 0.00 57.03 57.37 2bkc h ASP 101 Cb 1.44 -0.14 -0.07 0.00 1.72 0.00 0.00 39.33 42.28 2bkc h ASP 101 CO 0.15 0.48 0.04 0.25 -2.88 0.00 0.00 179.24 177.29 2bkc h LEU 102 N 0.55 -0.10 -0.92 2.28 6.46 -0.68 -2.32 115.31 120.58 2bkc h LEU 102 Ca 0.15 0.10 -0.09 0.00 -0.12 0.00 0.00 57.88 57.91 2bkc h LEU 102 Cb 0.07 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 2bkc h LEU 102 CO -0.02 -0.02 -0.22 0.58 -0.62 0.00 0.00 178.44 178.14 2bkc h VAL 103 N 0.16 1.26 -0.07 1.05 2.07 -0.38 -2.15 116.25 118.20 2bkc h VAL 103 Ca 0.23 -1.23 -0.15 0.00 0.82 0.00 0.00 66.70 66.38 2bkc h VAL 103 Cb 0.33 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2bkc h VAL 103 CO -0.35 0.40 -0.60 1.23 0.02 0.00 0.00 177.57 178.27 2bkc h GLY 104 N 1.00 0.26 0.87 2.17 0.00 -0.93 -1.70 103.07 104.74 2bkc h GLY 104 Ca 0.08 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 2bkc h GLY 104 CO 0.05 0.29 -0.21 -0.84 0.00 0.00 0.00 176.54 175.83 2bkc h THR 105 N 0.18 1.32 -0.51 4.70 2.02 -1.17 -1.36 112.91 118.08 2bkc h THR 105 Ca -0.01 -1.36 0.01 0.00 0.77 0.00 0.00 66.41 65.83 2bkc h THR 105 Cb 1.11 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 69.17 2bkc h THR 105 CO 0.09 0.42 0.33 -0.07 0.37 0.00 0.00 175.52 176.67 2bkc h LEU 106 N 0.25 0.57 -1.00 2.58 3.38 -1.34 0.13 115.31 119.87 2bkc h LEU 106 Ca 0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2bkc h LEU 106 Cb 0.75 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 2bkc h LEU 106 CO 0.05 0.41 0.56 -0.33 0.09 0.00 0.00 178.44 179.21 2bkc h GLU 107 N 0.67 1.25 -0.34 1.13 5.08 -1.29 0.20 114.58 121.28 2bkc h GLU 107 Ca 0.19 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2bkc h GLU 107 Cb -0.05 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 28.92 2bkc h GLU 107 CO -0.05 0.87 0.19 1.25 -1.00 0.00 0.00 179.01 180.27 2bkc h LEU 108 N 1.27 0.42 -0.60 1.33 6.46 -0.38 -2.27 115.31 121.53 2bkc h LEU 108 Ca 0.33 -0.07 -0.13 0.00 -0.12 0.00 0.00 57.88 57.89 2bkc h LEU 108 Cb -0.06 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 2bkc h LEU 108 CO -0.06 0.37 -0.26 -0.07 -0.62 0.00 0.00 178.44 177.79 2bkc h LEU 109 N 0.43 0.85 -0.42 2.25 3.38 -0.33 -2.17 115.31 119.30 2bkc h LEU 109 Ca 0.12 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.84 2bkc h LEU 109 Cb 0.04 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.48 2bkc h LEU 109 CO -0.02 1.07 -0.07 -0.09 0.09 0.00 0.00 178.44 179.42 2bkc h ARG 110 N 0.71 0.03 -0.15 1.13 2.43 -0.83 -0.03 114.38 117.67 2bkc h ARG 110 Ca 0.09 -0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.03 2bkc h ARG 110 Cb 0.80 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.35 2bkc h ARG 110 CO 0.07 0.02 -0.79 -0.44 -1.51 0.00 0.00 179.97 177.32 2bkc h ASP 111 N 0.03 0.95 -0.61 -3.80 3.32 -1.18 -1.58 116.42 113.57 2bkc h ASP 111 Ca 0.21 -0.63 -0.07 0.00 0.02 0.00 0.00 57.03 56.56 2bkc h ASP 111 Cb 0.31 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2bkc h ASP 111 CO -0.41 1.43 0.13 -0.33 -1.72 0.00 0.00 179.24 178.34 2bkc h GLU 112 N 0.54 1.01 -0.36 3.56 5.08 -1.20 -2.84 114.58 120.38 2bkc h GLU 112 Ca -0.06 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 2bkc h GLU 112 Cb 1.42 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 2bkc h GLU 112 CO 0.16 0.92 -0.05 1.88 -1.00 0.00 0.00 179.01 180.92 2bkc h TYR 113 N 0.96 0.61 -0.95 4.33 -1.99 -0.78 0.02 116.97 119.17 2bkc h TYR 113 Ca 0.20 -0.08 0.06 0.00 2.00 0.00 0.00 58.73 60.91 2bkc h TYR 113 Cb 0.38 -0.17 -0.06 0.00 2.00 0.00 0.00 36.73 38.88 2bkc h TYR 113 CO 0.03 0.63 0.62 -0.22 -0.00 0.00 0.00 178.16 179.21 2bkc h LYS 114 N 0.55 1.08 0.01 4.88 1.63 -1.06 0.24 116.57 123.90 2bkc h LYS 114 Ca 0.11 -0.07 -0.24 0.00 -0.85 0.00 0.00 60.65 59.60 2bkc h LYS 114 Cb 0.43 -0.24 0.01 0.00 -0.60 0.00 0.00 32.23 31.83 2bkc h LYS 114 CO 0.02 0.72 -1.00 1.96 -3.45 0.00 0.00 179.45 177.70 2bkc h GLN 115 N 1.11 0.51 -0.86 1.90 4.20 -1.18 -2.39 115.11 118.41 2bkc h GLN 115 Ca 0.41 -0.56 0.09 0.00 0.06 0.00 0.00 58.65 58.65 2bkc h GLN 115 Cb 0.16 0.16 -0.06 0.00 0.30 0.00 0.00 27.48 28.04 2bkc h GLN 115 CO -0.15 1.19 0.56 0.78 -0.67 0.00 0.00 178.83 180.54 2bkc h GLY 116 N 0.94 1.21 1.75 3.46 0.00 -0.55 -1.00 103.07 108.88 2bkc h GLY 116 Ca -0.10 -0.35 -0.17 0.00 0.00 0.00 0.00 47.33 46.71 2bkc h GLY 116 CO 0.18 0.21 -0.70 -2.22 0.00 0.00 0.00 176.54 174.00 2bkc h ILE 117 N 0.85 1.42 -0.02 2.60 2.04 -0.38 -2.07 117.51 121.95 2bkc h ILE 117 Ca 0.39 -2.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.05 2bkc h ILE 117 Cb 0.40 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 2bkc h ILE 117 CO -0.16 0.65 -0.01 -0.08 0.00 0.00 0.00 178.15 178.55 2bkc h GLU 118 N 0.17 0.04 -0.68 2.37 4.57 -0.87 -1.94 114.58 118.24 2bkc h GLU 118 Ca -0.02 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 2bkc h GLU 118 Cb 1.25 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.81 2bkc h GLU 118 CO 0.11 0.43 0.25 1.25 -1.18 0.00 0.00 179.01 179.87 2bkc h LEU 119 N -0.35 0.94 0.00 1.64 5.85 -1.23 -2.34 115.31 119.82 2bkc h LEU 119 Ca 0.00 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 2bkc h LEU 119 Cb 0.42 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2bkc h LEU 119 CO 0.00 0.85 -0.43 0.00 -0.34 0.00 0.00 178.44 178.52 2bkc h THR 120 N 0.99 0.42 -0.06 1.05 1.03 -1.36 -0.58 112.91 114.40 2bkc h THR 120 Ca 0.23 -1.62 -0.22 0.00 -0.01 0.00 0.00 66.41 64.79 2bkc h THR 120 Cb 0.22 2.14 0.00 0.00 -1.07 0.00 0.00 68.15 69.45 2bkc h THR 120 CO -0.02 0.24 -0.84 -0.78 -0.01 0.00 0.00 175.52 174.11 2bkc h ASP 121 N 0.00 0.66 -0.09 0.00 3.58 -1.02 -1.89 116.42 117.66 2bkc h ASP 121 Ca -0.02 -0.47 -0.07 0.00 0.42 0.00 0.00 57.03 56.89 2bkc h ASP 121 Cb 1.22 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2bkc h ASP 121 CO 0.03 1.25 -0.24 0.11 -2.88 0.00 0.00 179.24 177.52 2bkc h LYS 122 N 0.34 0.32 -0.02 0.28 1.57 -0.97 -2.67 116.57 115.42 2bkc h LYS 122 Ca -0.06 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.50 2bkc h LYS 122 Cb 1.46 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.80 2bkc h LYS 122 CO 0.16 0.83 0.06 0.93 -0.57 0.00 0.00 179.45 180.86 2bkc h GLU 123 N -0.14 0.00 -0.24 3.15 5.08 -1.25 -3.46 114.58 117.71 2bkc h GLU 123 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2bkc h GLU 123 Cb 0.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2bkc h GLU 123 CO 0.05 0.00 -0.06 0.41 -1.00 0.00 0.00 179.01 178.41 2bkc n GLY 124 N -1.21 0.45 3.42 -3.84 0.00 -1.01 -4.97 105.19 98.04 2bkc n GLY 124 Ca -0.02 -0.88 -0.45 0.00 0.00 0.00 0.00 46.02 44.67 2bkc n GLY 124 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bkc s ASP 125 N -2.93 6.84 0.22 1.61 3.68 -0.73 -4.88 116.67 120.47 2bkc s ASP 125 Ca 0.00 -2.57 -0.04 0.00 2.13 0.00 0.00 52.55 52.07 2bkc s ASP 125 Cb 0.00 -2.34 0.21 0.00 -1.45 0.00 0.00 42.92 39.34 2bkc s ASP 125 CO 0.00 -0.81 1.66 0.44 0.13 0.00 0.00 175.17 176.59 2bkc h ASP 126 N 7.99 0.80 0.49 -0.34 3.32 -1.93 -2.32 116.42 124.41 2bkc h ASP 126 Ca 0.19 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 2bkc h ASP 126 Cb 0.97 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.31 2bkc h ASP 126 CO 1.07 0.96 -0.23 0.58 -1.72 0.00 0.00 179.24 179.89 2bkc h VAL 127 N 0.71 0.51 -0.88 -1.35 2.07 -1.95 -1.49 116.25 113.86 2bkc h VAL 127 Ca 0.11 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.54 2bkc h VAL 127 Cb 0.66 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 2bkc h VAL 127 CO 0.05 0.03 0.57 0.74 0.02 0.00 0.00 177.57 178.98 2bkc h THR 128 N -0.74 1.10 -0.05 2.57 2.02 -1.95 -1.50 112.91 114.36 2bkc h THR 128 Ca -0.07 -0.36 0.04 0.00 0.77 0.00 0.00 66.41 66.79 2bkc h THR 128 Cb 0.54 -0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.87 2bkc h THR 128 CO 0.11 0.19 -0.29 -1.13 0.37 0.00 0.00 175.52 174.77 2bkc h ASN 129 N 1.04 -0.86 -0.90 4.18 -0.73 -1.20 -2.29 115.58 114.82 2bkc h ASN 129 Ca 0.36 0.12 0.03 0.00 1.87 0.00 0.00 56.30 58.69 2bkc h ASN 129 Cb 0.11 0.36 -0.05 0.00 0.27 0.00 0.00 38.32 39.01 2bkc h ASN 129 CO -0.12 -0.34 0.58 -0.78 -0.37 0.00 0.00 177.43 176.40 2bkc h ASP 130 N -0.40 0.97 -0.56 1.15 3.58 -0.46 -2.13 116.42 118.57 2bkc h ASP 130 Ca 0.08 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 2bkc h ASP 130 Cb 0.51 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 2bkc h ASP 130 CO -0.28 0.67 0.16 -0.03 -2.88 0.00 0.00 179.24 176.88 2bkc h MET 131 N 1.13 0.93 0.14 0.28 4.05 -0.92 -2.12 114.93 118.43 2bkc h MET 131 Ca 0.36 -0.19 -0.30 0.00 -0.28 0.00 0.00 59.70 59.28 2bkc h MET 131 Cb -0.01 -0.14 0.03 0.00 -0.80 0.00 0.00 31.60 30.68 2bkc h MET 131 CO -0.11 0.82 -1.28 -0.07 0.23 0.00 0.00 176.91 176.50 2bkc h LEU 132 N 0.89 0.77 -0.97 3.39 4.07 -1.13 -2.17 115.31 120.18 2bkc h LEU 132 Ca 0.20 -0.75 0.03 0.00 0.08 0.00 0.00 57.88 57.44 2bkc h LEU 132 Cb 0.30 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 41.74 2bkc h LEU 132 CO -0.00 1.56 0.63 0.40 -1.08 0.00 0.00 178.44 179.95 2bkc h ILE 133 N 0.21 1.19 -0.04 1.22 2.04 -1.22 -0.39 117.51 120.52 2bkc h ILE 133 Ca -0.19 -0.43 -0.13 0.00 1.00 0.00 0.00 64.86 65.12 2bkc h ILE 133 Cb 1.96 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2bkc h ILE 133 CO 0.24 0.23 -0.56 0.00 0.00 0.00 0.00 178.15 178.06 2bkc h ALA 134 N 1.38 1.00 -0.30 1.87 0.00 -1.16 -1.36 119.26 120.69 2bkc h ALA 134 Ca 0.37 -0.51 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 2bkc h ALA 134 Cb -0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2bkc h ALA 134 CO -0.11 0.70 -0.52 0.74 0.00 0.00 0.00 179.25 180.06 2bkc h PHE 135 N 0.09 1.10 -0.39 0.00 0.05 -1.02 -2.78 116.94 113.99 2bkc h PHE 135 Ca -0.00 -0.38 0.01 0.00 3.82 0.00 0.00 57.97 61.42 2bkc h PHE 135 Cb 1.01 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 38.73 2bkc h PHE 135 CO 0.01 1.21 0.24 -0.22 -0.18 0.00 0.00 178.31 179.37 2bkc h LYS 136 N 0.67 0.47 -0.66 1.51 3.64 -0.86 0.02 116.57 121.35 2bkc h LYS 136 Ca 0.02 -0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.51 2bkc h LYS 136 Cb 1.12 -0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 32.73 2bkc h LYS 136 CO 0.12 0.31 0.08 0.00 -2.27 0.00 0.00 179.45 177.69 2bkc h ALA 137 N 1.16 0.75 -0.23 5.00 0.00 -1.20 0.24 119.26 124.98 2bkc h ALA 137 Ca 0.15 0.18 -0.14 0.00 0.00 0.00 0.00 54.91 55.10 2bkc h ALA 137 Cb -0.02 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2bkc h ALA 137 CO -0.06 -0.36 -0.38 1.03 0.00 0.00 0.00 179.25 179.48 2bkc h SER 138 N 0.19 0.74 -0.93 0.00 0.87 -1.15 -3.06 113.55 110.22 2bkc h SER 138 Ca 0.36 -0.53 0.06 0.00 -1.23 0.00 0.00 61.79 60.45 2bkc h SER 138 Cb 0.59 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.28 2bkc h SER 138 CO -0.51 1.12 0.59 0.40 -0.53 0.00 0.00 176.83 177.91 2bkc h ILE 139 N 0.38 1.08 -0.82 2.23 2.04 -0.18 -2.26 117.51 119.99 2bkc h ILE 139 Ca 0.02 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 2bkc h ILE 139 Cb 0.98 -0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2bkc h ILE 139 CO 0.09 0.20 0.39 0.44 0.00 0.00 0.00 178.15 179.27 2bkc h ASP 140 N 1.09 1.07 -0.40 1.72 3.32 -0.49 -1.00 116.42 121.74 2bkc h ASP 140 Ca 0.40 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 2bkc h ASP 140 Cb 0.14 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2bkc h ASP 140 CO -0.16 0.91 -0.07 0.50 -1.72 0.00 0.00 179.24 178.70 2bkc h LYS 141 N 1.16 0.75 -0.66 3.56 3.64 -1.42 -2.29 116.57 121.31 2bkc h LYS 141 Ca 0.28 -0.27 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2bkc h LYS 141 Cb 0.12 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2bkc h LYS 141 CO -0.03 0.87 0.44 0.45 -2.27 0.00 0.00 179.45 178.90 2bkc h HIS 142 N 0.57 0.81 -0.17 1.91 3.86 -1.15 -1.43 115.15 119.55 2bkc h HIS 142 Ca 0.11 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 2bkc h HIS 142 Cb 0.58 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 2bkc h HIS 142 CO 0.05 0.51 0.04 0.82 0.86 0.00 0.00 177.93 180.20 2bkc h ILE 143 N 0.87 1.21 -0.34 2.45 2.04 -0.99 -0.62 117.51 122.14 2bkc h ILE 143 Ca 0.24 -0.67 0.06 0.00 1.00 0.00 0.00 64.86 65.50 2bkc h ILE 143 Cb -0.07 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 2bkc h ILE 143 CO -0.06 0.20 -0.00 -0.25 0.00 0.00 0.00 178.15 178.04 2bkc h TRP 144 N 0.08 -0.03 -0.26 1.37 7.01 -1.27 -1.42 115.95 121.45 2bkc h TRP 144 Ca 0.05 0.03 -0.17 0.00 2.11 0.00 0.00 58.89 60.91 2bkc h TRP 144 Cb 0.28 0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.40 2bkc h TRP 144 CO 0.01 -0.07 -0.52 0.52 -2.79 0.00 0.00 178.44 175.59 2bkc h MET 145 N 0.09 0.74 0.13 2.65 2.86 -0.89 -0.16 114.93 120.35 2bkc h MET 145 Ca 0.16 -0.45 -0.29 0.00 -2.06 0.00 0.00 59.70 57.07 2bkc h MET 145 Cb 0.23 0.05 0.02 0.00 0.06 0.00 0.00 31.60 31.95 2bkc h MET 145 CO -0.28 1.08 -1.25 0.74 1.06 0.00 0.00 176.91 178.26 2bkc h PHE 146 N 0.57 0.77 -0.60 -0.22 -1.00 -1.06 -1.81 116.94 113.60 2bkc h PHE 146 Ca 0.02 -0.51 0.05 0.00 2.81 0.00 0.00 57.97 60.34 2bkc h PHE 146 Cb 1.10 -0.05 -0.05 0.00 3.61 0.00 0.00 35.95 40.56 2bkc h PHE 146 CO 0.06 1.37 0.32 0.87 -1.61 0.00 0.00 178.31 179.32 2bkc h LYS 147 N 0.17 0.59 -0.46 1.51 1.79 -1.20 -2.12 116.57 116.85 2bkc h LYS 147 Ca -0.17 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 2bkc h LYS 147 Cb 1.93 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 32.43 2bkc h LYS 147 CO 0.22 0.39 0.20 0.00 -1.08 0.00 0.00 179.45 179.18 2bkc h ALA 148 N 1.31 1.48 -0.77 3.86 0.00 -0.92 -1.01 119.26 123.22 2bkc h ALA 148 Ca 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2bkc h ALA 148 Cb 0.16 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2bkc h ALA 148 CO -0.17 0.41 0.42 0.35 0.00 0.00 0.00 179.25 180.26 2bkc h PHE 149 N 0.65 1.04 -0.08 0.00 3.57 -0.70 -2.48 116.94 118.94 2bkc h PHE 149 Ca 0.16 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2bkc h PHE 149 Cb 0.11 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.52 2bkc h PHE 149 CO 0.01 0.72 0.00 1.28 -2.23 0.00 0.00 178.31 178.09 2bkc n LEU 150 N -4.36 0.87 0.00 0.59 4.77 -0.50 -4.92 117.00 113.46 2bkc n LEU 150 Ca 0.08 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 2bkc n LEU 150 Cb 0.10 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2bkc n LEU 150 CO 0.38 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2bkc n GLY 151 N 0.97 0.55 3.30 -0.72 0.00 -0.91 -5.06 105.19 103.31 2bkc n GLY 151 Ca 0.15 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.18 2bkc n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bkc s LYS 152 N -1.81 1.20 0.78 1.61 1.02 -0.52 -5.00 119.74 117.02 2bkc s LYS 152 Ca 0.00 -1.52 -0.11 0.00 0.02 0.00 0.00 55.97 54.37 2bkc s LYS 152 Cb 0.00 -0.90 0.06 0.00 -0.52 0.00 0.00 37.83 36.46 2bkc s LYS 152 CO 0.00 0.14 1.08 0.00 -0.92 0.00 0.00 175.35 175.65 2bkc s ALA 153 N -3.09 2.24 0.13 5.17 0.00 -1.26 -3.04 121.76 121.91 2bkc s ALA 153 Ca 0.19 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 52.17 2bkc s ALA 153 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 2bkc s ALA 153 CO 0.04 -1.73 1.52 -1.35 0.00 0.00 0.00 175.76 174.23 2bkc h PRO 154 N -1.10 0.80 -0.01 0.00 0.11 -1.89 -3.17 132.00 126.74 2bkc h PRO 154 Ca -0.45 -0.33 0.00 0.00 0.11 0.00 0.00 66.00 65.33 2bkc h PRO 154 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2bkc h PRO 154 CO 0.53 0.95 -0.21 1.28 -0.21 0.00 0.00 178.00 180.34 2bkc n LEU 155 N -4.29 1.26 -0.35 2.35 4.77 -1.26 -4.87 117.00 114.62 2bkc n LEU 155 Ca -0.01 -0.37 0.15 0.00 -0.03 0.00 0.00 56.01 55.74 2bkc n LEU 155 Cb 0.40 -0.08 0.64 0.00 -2.33 0.00 0.00 43.42 42.04 2bkc n LEU 155 CO 0.44 0.23 0.94 -0.62 -1.33 0.00 0.00 177.39 177.04