#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 4.75 0.26 -1.34 1.47 -1.26 -4.85 116.67 115.70 2bkc s ASP 8 Ca 0.00 0.65 -0.03 0.00 1.18 0.00 0.00 52.55 54.35 2bkc s ASP 8 Cb 0.00 -1.25 0.52 0.00 -0.34 0.00 0.00 42.92 41.85 2bkc s ASP 8 CO 0.00 -1.69 1.70 0.74 0.68 0.00 0.00 175.17 176.60 2bkc h THR 9 N -0.78 0.55 -0.65 2.11 2.02 -1.98 -0.48 112.91 113.70 2bkc h THR 9 Ca -0.45 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 66.62 2bkc h THR 9 Cb 1.32 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 2bkc h THR 9 CO 0.63 0.06 0.42 0.11 0.37 0.00 0.00 175.52 177.12 2bkc h LYS 10 N 0.35 0.83 -0.39 6.66 1.57 -1.97 -2.46 116.57 121.17 2bkc h LYS 10 Ca 0.45 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 59.07 2bkc h LYS 10 Cb 0.76 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2bkc h LYS 10 CO -0.48 0.55 -0.21 1.49 -0.57 0.00 0.00 179.45 180.23 2bkc h GLU 11 N 0.86 0.76 0.32 3.15 4.81 -1.54 -2.27 114.58 120.66 2bkc h GLU 11 Ca 0.24 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2bkc h GLU 11 Cb -0.08 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2bkc h GLU 11 CO -0.06 0.90 -0.15 0.35 -0.73 0.00 0.00 179.01 179.32 2bkc h PHE 12 N 0.67 -0.39 -0.76 0.92 3.57 -0.94 -1.87 116.94 118.13 2bkc h PHE 12 Ca 0.10 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.63 2bkc h PHE 12 Cb 0.71 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 2bkc h PHE 12 CO 0.04 -0.23 0.47 -0.07 -2.23 0.00 0.00 178.31 176.29 2bkc h LEU 13 N -0.45 0.76 -0.69 0.59 4.07 -1.42 -0.58 115.31 117.59 2bkc h LEU 13 Ca -0.04 0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.81 2bkc h LEU 13 Cb 0.34 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 2bkc h LEU 13 CO 0.07 0.51 -0.21 -1.13 -1.08 0.00 0.00 178.44 176.60 2bkc h ASN 14 N 0.90 0.79 -0.89 -0.43 -0.73 -1.33 -0.69 115.58 113.20 2bkc h ASN 14 Ca 0.32 -0.28 0.05 0.00 1.87 0.00 0.00 56.30 58.25 2bkc h ASN 14 Cb 0.09 -0.22 -0.06 0.00 0.27 0.00 0.00 38.32 38.40 2bkc h ASN 14 CO -0.14 0.99 0.56 -0.74 -0.37 0.00 0.00 177.43 177.73 2bkc h HIS 15 N 0.68 1.05 -0.02 0.67 2.76 -0.64 -2.17 115.15 117.49 2bkc h HIS 15 Ca 0.10 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.15 2bkc h HIS 15 Cb 0.72 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 2bkc h HIS 15 CO 0.04 0.57 -0.65 1.96 -1.30 0.00 0.00 177.93 178.55 2bkc h GLN 16 N 1.07 0.09 -0.67 5.26 1.08 -0.21 -2.04 115.11 119.68 2bkc h GLN 16 Ca 0.37 -0.07 0.09 0.00 -1.45 0.00 0.00 58.65 57.59 2bkc h GLN 16 Cb 0.08 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.45 2bkc h GLN 16 CO -0.14 0.71 0.31 0.28 -0.95 0.00 0.00 178.83 179.03 2bkc h VAL 17 N 0.06 0.82 -0.13 -0.54 2.07 -0.59 -0.35 116.25 117.59 2bkc h VAL 17 Ca -0.01 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 2bkc h VAL 17 Cb 1.16 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2bkc h VAL 17 CO 0.09 0.10 -0.06 0.00 0.02 0.00 0.00 177.57 177.72 2bkc h ALA 18 N 1.43 0.18 -0.25 1.67 0.00 -1.24 -2.85 119.26 118.21 2bkc h ALA 18 Ca 0.34 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2bkc h ALA 18 Cb 0.38 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 2bkc h ALA 18 CO -0.28 -0.03 -0.13 -0.91 0.00 0.00 0.00 179.25 177.89 2bkc h ASN 19 N -0.07 -0.43 -0.22 0.00 2.35 -1.00 -1.83 115.58 114.38 2bkc h ASN 19 Ca 0.03 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 2bkc h ASN 19 Cb 0.52 0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 2bkc h ASN 19 CO 0.02 -0.17 0.08 -0.07 -1.65 0.00 0.00 177.43 175.64 2bkc h LEU 20 N -0.10 0.37 -0.58 1.61 4.07 -1.09 -0.40 115.31 119.18 2bkc h LEU 20 Ca 0.13 -0.04 -0.15 0.00 0.08 0.00 0.00 57.88 57.90 2bkc h LEU 20 Cb 0.30 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 2bkc h LEU 20 CO -0.31 0.37 -0.68 0.78 -1.08 0.00 0.00 178.44 177.52 2bkc h ASN 21 N 0.41 0.18 -0.43 -0.43 2.35 -1.19 -1.47 115.58 115.00 2bkc h ASN 21 Ca 0.10 -0.12 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 2bkc h ASN 21 Cb 0.15 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2bkc h ASN 21 CO -0.01 0.80 -0.18 0.58 -1.65 0.00 0.00 177.43 176.98 2bkc h VAL 22 N 0.11 1.28 -0.26 2.81 2.07 -0.46 -3.14 116.25 118.66 2bkc h VAL 22 Ca -0.01 -1.32 -0.14 0.00 0.82 0.00 0.00 66.70 66.05 2bkc h VAL 22 Cb 1.21 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2bkc h VAL 22 CO 0.10 0.45 -0.41 0.15 0.02 0.00 0.00 177.57 177.87 2bkc h PHE 23 N 0.72 0.74 -0.32 1.57 3.57 -0.96 -0.81 116.94 121.45 2bkc h PHE 23 Ca 0.10 -0.22 -0.04 0.00 3.53 0.00 0.00 57.97 61.34 2bkc h PHE 23 Cb 0.74 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 2bkc h PHE 23 CO 0.05 0.93 0.05 1.15 -2.23 0.00 0.00 178.31 178.27 2bkc h THR 24 N 0.51 1.23 -0.30 4.41 2.02 -1.35 -0.00 112.91 119.43 2bkc h THR 24 Ca 0.04 -0.81 -0.10 0.00 0.77 0.00 0.00 66.41 66.31 2bkc h THR 24 Cb 0.93 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 2bkc h THR 24 CO 0.08 0.27 -0.24 0.58 0.37 0.00 0.00 175.52 176.58 2bkc h VAL 25 N 0.36 1.27 -0.87 3.16 2.07 -1.47 -2.07 116.25 118.70 2bkc h VAL 25 Ca 0.10 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.34 2bkc h VAL 25 Cb 0.34 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 2bkc h VAL 25 CO 0.01 0.42 0.58 0.50 0.02 0.00 0.00 177.57 179.09 2bkc h LYS 26 N 0.51 1.14 -0.51 1.57 3.64 -0.56 -1.96 116.57 120.39 2bkc h LYS 26 Ca 0.07 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 2bkc h LYS 26 Cb 0.69 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2bkc h LYS 26 CO 0.05 0.75 0.09 0.82 -2.27 0.00 0.00 179.45 178.89 2bkc h ILE 27 N 1.17 1.23 -0.49 2.00 2.04 -0.33 -0.81 117.51 122.32 2bkc h ILE 27 Ca 0.32 -0.85 -0.11 0.00 1.00 0.00 0.00 64.86 65.22 2bkc h ILE 27 Cb -0.12 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2bkc h ILE 27 CO -0.07 0.31 -0.13 0.45 0.00 0.00 0.00 178.15 178.71 2bkc h HIS 28 N 0.75 1.07 -0.40 1.37 3.86 -1.06 -1.96 115.15 118.80 2bkc h HIS 28 Ca 0.16 -0.23 0.05 0.00 -1.16 0.00 0.00 60.37 59.19 2bkc h HIS 28 Cb 0.33 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 28.49 2bkc h HIS 28 CO 0.02 1.03 0.11 0.37 0.86 0.00 0.00 177.93 180.32 2bkc h GLN 29 N 0.81 0.25 -0.81 2.45 4.15 -0.61 0.99 115.11 122.34 2bkc h GLN 29 Ca 0.12 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 2bkc h GLN 29 Cb 0.69 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.29 2bkc h GLN 29 CO 0.05 0.16 0.41 0.82 -1.93 0.00 0.00 178.83 178.34 2bkc h ILE 30 N 0.26 1.25 -0.22 2.39 2.04 -0.87 -2.11 117.51 120.24 2bkc h ILE 30 Ca 0.19 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 2bkc h ILE 30 Cb 0.20 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 2bkc h ILE 30 CO -0.22 0.29 -0.09 -0.74 0.00 0.00 0.00 178.15 177.40 2bkc h HIS 31 N 1.14 0.51 -0.13 1.37 2.76 -1.05 -1.73 115.15 118.02 2bkc h HIS 31 Ca 0.28 -0.12 -0.06 0.00 -2.20 0.00 0.00 60.37 58.27 2bkc h HIS 31 Cb 0.09 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 2bkc h HIS 31 CO 0.01 0.71 -0.19 -1.49 -1.30 0.00 0.00 177.93 175.67 2bkc h TRP 32 N 0.16 0.22 -0.01 5.26 6.55 -0.62 -3.28 115.95 124.23 2bkc h TRP 32 Ca 0.05 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.86 2bkc h TRP 32 Cb 0.57 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 28.81 2bkc h TRP 32 CO 0.06 0.39 -0.08 0.66 -1.05 0.00 0.00 178.44 178.42 2bkc n TYR 33 N -4.23 0.00 -2.08 0.49 4.02 -0.81 -5.00 117.16 109.55 2bkc n TYR 33 Ca -0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.47 2bkc n TYR 33 Cb 0.31 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.60 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 -0.99 4.32 0.18 -0.72 0.23 -0.65 -4.96 119.30 116.70 2bkc s MET 34 Ca 0.09 2.23 0.06 0.00 -1.03 0.00 0.00 55.69 57.04 2bkc s MET 34 Cb 0.07 -3.11 -0.05 0.00 -1.53 0.00 0.00 34.83 30.22 2bkc s MET 34 CO 0.16 -0.31 -0.11 1.03 -2.03 0.00 0.00 175.02 173.76 2bkc s ARG 35 N -0.84 1.21 0.00 3.16 0.52 -1.26 -4.95 118.95 116.79 2bkc s ARG 35 Ca 0.55 -1.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 2bkc s ARG 35 Cb -0.40 -0.87 0.00 0.00 0.52 0.00 0.00 34.95 34.20 2bkc s ARG 35 CO 0.46 0.12 0.00 0.41 0.02 0.00 0.00 175.30 176.31 2bkc n GLY 36 N -0.30 -0.52 0.34 -3.53 0.00 -1.26 -4.34 105.19 95.57 2bkc n GLY 36 Ca -0.09 -2.27 0.18 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.60 1.61 3.86 -2.06 -0.12 115.15 117.84 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 -3.45 3.91 -0.19 2.45 4.13 -1.26 -4.63 115.26 116.22 2bkc n ASN 38 Ca 0.00 -2.23 -0.00 0.00 1.68 0.00 0.00 54.58 54.03 2bkc n ASN 38 Cb 0.30 -0.50 0.08 0.00 -1.54 0.00 0.00 39.78 38.13 2bkc n ASN 38 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2bkc h PHE 39 N 3.67 -0.02 -0.09 3.10 3.57 -1.31 -0.74 116.94 125.12 2bkc h PHE 39 Ca 0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2bkc h PHE 39 Cb 1.12 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 2bkc h PHE 39 CO 0.58 -0.13 -0.03 0.74 -2.23 0.00 0.00 178.31 177.24 2bkc h PHE 40 N 0.13 0.21 0.06 0.41 -1.00 -1.84 0.03 116.94 114.94 2bkc h PHE 40 Ca 0.29 -0.05 -0.25 0.00 2.81 0.00 0.00 57.97 60.78 2bkc h PHE 40 Cb 0.46 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.97 2bkc h PHE 40 CO -0.34 0.51 -1.08 1.79 -1.61 0.00 0.00 178.31 177.59 2bkc h THR 41 N -0.16 1.45 0.00 -1.55 1.35 -1.83 -2.68 112.91 109.49 2bkc h THR 41 Ca 0.02 -2.72 -0.06 0.00 -0.55 0.00 0.00 66.41 63.10 2bkc h THR 41 Cb 0.45 2.66 -0.01 0.00 -1.73 0.00 0.00 68.15 69.52 2bkc h THR 41 CO 0.01 0.80 -0.28 -0.07 -0.25 0.00 0.00 175.52 175.74 2bkc h LEU 42 N 0.15 0.00 0.00 3.87 -0.00 -1.25 -2.88 115.31 115.20 2bkc h LEU 42 Ca -0.10 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.78 2bkc h LEU 42 Cb 1.75 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.40 2bkc h LEU 42 CO 0.18 0.28 -0.04 1.23 -0.00 0.00 0.00 178.44 180.09 2bkc h GLY 43 N 3.25 -0.04 0.97 0.83 0.00 -0.87 -0.54 103.07 106.67 2bkc h GLY 43 Ca -0.00 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2bkc h GLY 43 CO 0.04 -0.04 0.22 0.83 0.00 0.00 0.00 176.54 177.59 2bkc h GLU 44 N -0.07 0.74 -0.83 4.80 5.08 -1.51 -2.36 114.58 120.42 2bkc h GLU 44 Ca 0.02 -0.12 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 2bkc h GLU 44 Cb 0.09 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 2bkc h GLU 44 CO -0.04 0.64 0.51 -0.22 -1.00 0.00 0.00 179.01 178.90 2bkc h LYS 45 N 0.68 0.89 -0.51 2.33 1.63 -1.44 -1.97 116.57 118.18 2bkc h LYS 45 Ca 0.17 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.86 2bkc h LYS 45 Cb 0.16 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 2bkc h LYS 45 CO -0.02 0.59 0.07 0.52 -3.45 0.00 0.00 179.45 177.16 2bkc h MET 46 N 0.92 0.82 -0.56 1.90 2.86 -0.65 0.37 114.93 120.58 2bkc h MET 46 Ca 0.37 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 2bkc h MET 46 Cb 0.20 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 2bkc h MET 46 CO -0.18 0.78 0.28 -0.44 1.06 0.00 0.00 176.91 178.40 2bkc h ASP 47 N 0.77 0.72 -0.59 1.22 3.32 -1.13 0.10 116.42 120.83 2bkc h ASP 47 Ca 0.16 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.12 2bkc h ASP 47 Cb 0.37 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 2bkc h ASP 47 CO 0.01 0.63 0.36 0.44 -1.72 0.00 0.00 179.24 178.96 2bkc h ASP 48 N 0.75 0.59 -0.27 6.45 3.32 -1.00 -2.29 116.42 123.97 2bkc h ASP 48 Ca 0.19 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 2bkc h ASP 48 Cb 0.10 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 2bkc h ASP 48 CO -0.03 0.41 -0.27 0.25 -1.72 0.00 0.00 179.24 177.89 2bkc h LEU 49 N 0.72 0.70 -0.57 1.55 5.85 -0.66 -0.64 115.31 122.25 2bkc h LEU 49 Ca 0.24 -0.47 0.11 0.00 0.84 0.00 0.00 57.88 58.60 2bkc h LEU 49 Cb 0.02 -0.20 -0.11 0.00 0.37 0.00 0.00 40.66 40.74 2bkc h LEU 49 CO -0.10 1.03 -0.26 0.22 -0.34 0.00 0.00 178.44 178.99 2bkc h TYR 50 N 0.39 -0.67 -0.11 1.25 5.03 -0.73 0.04 116.97 122.16 2bkc h TYR 50 Ca 0.04 0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.39 2bkc h TYR 50 Cb 0.83 0.38 -0.00 0.00 1.55 0.00 0.00 36.73 39.49 2bkc h TYR 50 CO 0.07 -0.34 -0.02 0.77 -1.32 0.00 0.00 178.16 177.33 2bkc h SER 51 N -0.11 0.21 -0.19 -2.11 0.02 -1.34 -0.55 113.55 109.48 2bkc h SER 51 Ca 0.25 -0.35 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2bkc h SER 51 Cb 0.52 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 2bkc h SER 51 CO -0.65 0.51 0.03 -0.08 -1.14 0.00 0.00 176.83 175.51 2bkc h GLU 52 N -0.09 0.10 0.00 3.45 4.81 -0.82 -1.26 114.58 120.77 2bkc h GLU 52 Ca 0.03 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 2bkc h GLU 52 Cb 0.41 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2bkc h GLU 52 CO 0.01 0.07 -0.36 0.74 -0.73 0.00 0.00 179.01 178.74 2bkc h PHE 53 N 0.11 0.00 -0.32 0.92 -1.00 -1.03 -1.39 116.94 114.22 2bkc h PHE 53 Ca 0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.87 2bkc h PHE 53 Cb 0.09 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 2bkc h PHE 53 CO -0.14 0.36 0.21 0.78 -1.61 0.00 0.00 178.31 177.91 2bkc h GLY 54 N 1.99 0.45 1.39 -1.45 0.00 -0.80 0.11 103.07 104.75 2bkc h GLY 54 Ca -0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 2bkc h GLY 54 CO 0.05 0.17 -0.20 0.83 0.00 0.00 0.00 176.54 177.39 2bkc h GLU 55 N 0.43 0.71 -0.07 4.80 5.08 -0.78 -1.86 114.58 122.89 2bkc h GLU 55 Ca 0.12 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2bkc h GLU 55 Cb -0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2bkc h GLU 55 CO -0.02 0.86 0.01 0.37 -1.00 0.00 0.00 179.01 179.23 2bkc h GLN 56 N 0.63 0.04 -0.40 2.33 4.15 -0.88 -1.08 115.11 119.90 2bkc h GLN 56 Ca 0.09 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.54 2bkc h GLN 56 Cb 0.68 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.33 2bkc h GLN 56 CO 0.05 0.03 0.19 1.98 -1.93 0.00 0.00 178.83 179.15 2bkc h MET 57 N 0.04 0.38 -0.47 1.69 4.05 -0.77 -0.79 114.93 119.06 2bkc h MET 57 Ca 0.03 -0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.52 2bkc h MET 57 Cb 0.03 -0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 30.67 2bkc h MET 57 CO -0.04 0.25 0.03 -0.44 0.23 0.00 0.00 176.91 176.94 2bkc h ASP 58 N 0.39 -0.14 -0.45 1.39 3.32 -0.96 -1.51 116.42 118.47 2bkc h ASP 58 Ca 0.17 0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 2bkc h ASP 58 Cb 0.09 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 2bkc h ASP 58 CO -0.13 -0.04 0.05 -0.33 -1.72 0.00 0.00 179.24 177.07 2bkc h GLU 59 N 0.15 0.83 -0.18 3.56 5.08 -0.72 -1.51 114.58 121.78 2bkc h GLU 59 Ca 0.24 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2bkc h GLU 59 Cb 0.34 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2bkc h GLU 59 CO -0.37 0.81 0.08 0.28 -1.00 0.00 0.00 179.01 178.81 2bkc h VAL 60 N 0.78 1.14 -0.78 3.13 2.07 -0.90 -1.02 116.25 120.68 2bkc h VAL 60 Ca 0.16 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2bkc h VAL 60 Cb 0.41 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 2bkc h VAL 60 CO 0.01 0.13 0.39 0.00 0.02 0.00 0.00 177.57 178.12 2bkc h ALA 61 N 0.94 1.22 0.00 1.67 0.00 -1.06 -1.88 119.26 120.15 2bkc h ALA 61 Ca 0.06 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2bkc h ALA 61 Cb 0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2bkc h ALA 61 CO -0.01 0.61 -0.72 0.93 0.00 0.00 0.00 179.25 180.06 2bkc h GLU 62 N 1.10 0.00 -0.28 0.00 5.08 -1.13 -1.32 114.58 118.02 2bkc h GLU 62 Ca 0.27 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.53 2bkc h GLU 62 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2bkc h GLU 62 CO -0.04 0.72 -0.23 -0.09 -1.00 0.00 0.00 179.01 178.37 2bkc h ARG 63 N 0.00 0.66 -0.51 2.33 9.65 -0.90 -1.70 114.38 123.91 2bkc h ARG 63 Ca -0.01 -0.33 0.03 0.00 -1.10 0.00 0.00 59.98 58.58 2bkc h ARG 63 Cb 1.36 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.91 2bkc h ARG 63 CO 0.09 0.93 0.28 1.25 2.80 0.00 0.00 179.97 185.32 2bkc h LEU 64 N 0.40 0.43 -0.61 3.80 5.85 -1.23 -1.44 115.31 122.51 2bkc h LEU 64 Ca 0.05 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.88 2bkc h LEU 64 Cb 0.78 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 2bkc h LEU 64 CO 0.06 0.30 0.24 -0.07 -0.34 0.00 0.00 178.44 178.63 2bkc h LEU 65 N 0.55 0.25 -0.75 2.25 -0.00 -1.20 -0.09 115.31 116.32 2bkc h LEU 65 Ca 0.21 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 58.17 2bkc h LEU 65 Cb 0.07 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.78 2bkc h LEU 65 CO -0.12 0.15 0.00 0.00 -0.00 0.00 0.00 178.44 178.47 2bkc h ALA 66 N 1.41 1.00 -0.58 1.53 0.00 -0.31 -2.50 119.26 119.81 2bkc h ALA 66 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2bkc h ALA 66 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2bkc h ALA 66 CO -0.29 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.40 2bkc n ILE 67 N -2.48 1.46 -0.11 0.00 -5.35 -0.88 -4.96 119.36 107.03 2bkc n ILE 67 Ca 0.02 -1.16 0.00 0.00 -0.27 0.00 0.00 62.75 61.35 2bkc n ILE 67 Cb 0.29 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 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 1.02 0.62 3.99 3.28 0.00 -0.94 -5.07 105.19 108.09 2bkc n GLY 68 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.26 1.76 -0.34 -0.02 0.00 -0.08 -5.00 107.32 102.38 2bkc s GLY 69 Ca 0.00 -1.71 0.01 0.00 0.00 0.00 0.00 44.72 43.02 2bkc s GLY 69 CO 0.00 -1.13 0.11 -0.56 0.00 0.00 0.00 173.10 171.52 2bkc s SER 70 N -4.75 4.17 0.15 1.64 0.01 -1.26 -4.22 113.70 109.44 2bkc s SER 70 Ca 0.67 -1.97 -0.33 0.00 1.31 0.00 0.00 55.95 55.63 2bkc s SER 70 Cb -0.05 -1.11 -0.13 0.00 0.21 0.00 0.00 66.02 64.94 2bkc s SER 70 CO 0.45 -0.38 1.70 -0.81 0.41 0.00 0.00 173.24 174.61 2bkc n PRO 71 N 4.43 2.49 -1.52 12.44 -0.04 -1.26 -4.97 135.00 146.58 2bkc n PRO 71 Ca 0.01 0.90 -0.50 0.00 -0.04 0.00 0.00 63.50 63.88 2bkc n PRO 71 Cb 0.40 -2.73 -0.04 0.00 -0.04 0.00 0.00 33.50 31.10 2bkc n PRO 71 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2bkc n PHE 72 N 4.23 0.72 -2.49 0.54 0.99 -1.26 -4.93 117.46 115.25 2bkc n PHE 72 Ca 0.17 0.82 -0.02 0.00 -0.00 0.00 0.00 57.45 58.43 2bkc n PHE 72 Cb 0.32 -2.16 0.03 0.00 -1.00 0.00 0.00 39.48 36.68 2bkc n PHE 72 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 2bkc n SER 73 N 1.82 -0.13 -3.70 4.37 3.41 -1.26 -4.95 113.62 113.18 2bkc n SER 73 Ca 0.16 -2.07 -0.12 0.00 -0.26 0.00 0.00 58.87 56.58 2bkc n SER 73 Cb 0.23 0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 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 -0.82 0.07 0.30 6.66 -4.23 -1.26 -5.05 115.64 111.32 2bkc s THR 74 Ca 0.16 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 2bkc s THR 74 Cb 0.28 -0.99 0.28 0.00 1.34 0.00 0.00 72.50 73.41 2bkc s THR 74 CO -0.08 -0.32 1.92 -0.07 -0.54 0.00 0.00 174.62 175.53 2bkc h LEU 75 N 2.99 0.90 -0.45 4.79 4.07 -1.99 -1.83 115.31 123.79 2bkc h LEU 75 Ca -0.32 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.51 2bkc h LEU 75 Cb 1.21 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 2bkc h LEU 75 CO 0.45 0.59 -0.24 0.50 -1.08 0.00 0.00 178.44 178.67 2bkc h LYS 76 N 1.03 0.95 -0.43 1.13 3.64 -1.99 -0.67 116.57 120.23 2bkc h LYS 76 Ca 0.37 -0.43 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 2bkc h LYS 76 Cb 0.14 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2bkc h LYS 76 CO -0.13 1.09 -0.11 0.93 -2.27 0.00 0.00 179.45 178.96 2bkc h GLU 77 N 0.79 0.77 -0.28 1.90 5.08 -1.89 -0.42 114.58 120.53 2bkc h GLU 77 Ca 0.10 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 2bkc h GLU 77 Cb 0.82 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2bkc h GLU 77 CO 0.07 0.85 -0.11 0.74 -1.00 0.00 0.00 179.01 179.56 2bkc h PHE 78 N 0.70 0.66 -0.40 4.33 0.05 -0.70 -2.51 116.94 119.06 2bkc h PHE 78 Ca 0.12 -0.16 0.02 0.00 3.82 0.00 0.00 57.97 61.77 2bkc h PHE 78 Cb 0.59 -0.16 -0.03 0.00 2.00 0.00 0.00 35.95 38.36 2bkc h PHE 78 CO 0.03 0.81 0.23 -0.07 -0.18 0.00 0.00 178.31 179.13 2bkc h LEU 79 N 0.33 0.38 -2.32 1.54 3.38 -1.02 -1.15 115.31 116.44 2bkc h LEU 79 Ca 0.07 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2bkc h LEU 79 Cb 0.62 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2bkc h LEU 79 CO 0.04 0.27 0.05 -0.33 0.09 0.00 0.00 178.44 178.55 2bkc h GLU 80 N 0.47 0.00 0.00 1.13 5.08 -0.86 -3.27 114.58 117.13 2bkc h GLU 80 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2bkc h GLU 80 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2bkc h GLU 80 CO -0.08 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.02 2bkc n ASN 81 N -3.99 0.42 -4.73 1.42 4.13 -0.96 -5.05 115.26 106.49 2bkc n ASN 81 Ca -0.02 -0.71 -0.41 0.00 1.68 0.00 0.00 54.58 55.12 2bkc n ASN 81 Cb 0.14 0.56 -0.04 0.00 -1.54 0.00 0.00 39.78 38.90 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 -0.56 3.25 -0.31 5.41 0.00 -0.46 -4.87 121.76 124.23 2bkc s ALA 82 Ca 0.00 0.57 0.21 0.00 0.00 0.00 0.00 51.96 52.74 2bkc s ALA 82 Cb 0.00 -3.27 0.15 0.00 0.00 0.00 0.00 23.12 20.00 2bkc s ALA 82 CO 0.00 -0.01 1.33 0.66 0.00 0.00 0.00 175.76 177.74 2bkc h SER 83 N 5.51 0.00 -3.21 0.00 4.64 -1.90 -3.46 113.55 115.13 2bkc h SER 83 Ca -0.43 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.36 2bkc h SER 83 Cb 1.21 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.32 2bkc h SER 83 CO 0.72 0.11 0.64 -0.69 -0.87 0.00 0.00 176.83 176.74 2bkc s VAL 84 N -3.21 3.50 0.05 0.95 1.01 -1.26 -5.01 120.40 116.43 2bkc s VAL 84 Ca 0.03 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.15 2bkc s VAL 84 Cb 0.07 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2bkc s VAL 84 CO 0.73 0.12 0.18 -1.61 0.00 0.00 0.00 175.10 174.52 2bkc s GLU 85 N 0.62 3.33 0.11 2.72 2.02 -1.26 -4.98 118.70 121.26 2bkc s GLU 85 Ca 0.60 -0.46 0.05 0.00 0.02 0.00 0.00 54.97 55.17 2bkc s GLU 85 Cb -0.34 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 2bkc s GLU 85 CO 0.33 0.61 -0.12 -1.83 0.02 0.00 0.00 175.26 174.27 2bkc s GLU 86 N -2.37 0.92 0.01 1.61 -1.05 -1.26 -5.02 118.70 111.54 2bkc s GLU 86 Ca 0.32 -1.17 -0.04 0.00 -0.15 0.00 0.00 54.97 53.92 2bkc s GLU 86 Cb -0.13 -0.71 -0.01 0.00 -0.44 0.00 0.00 34.13 32.84 2bkc s GLU 86 CO 0.25 0.13 0.07 0.00 0.95 0.00 0.00 175.26 176.66 2bkc s ALA 87 N -2.21 -0.15 0.55 -0.84 0.00 -1.26 -5.14 121.76 112.70 2bkc s ALA 87 Ca 0.06 -0.32 -0.20 0.00 0.00 0.00 0.00 51.96 51.50 2bkc s ALA 87 Cb -0.04 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 2bkc s ALA 87 CO 0.02 -0.19 1.18 -1.25 0.00 0.00 0.00 175.76 175.52 2bkc s PRO 88 N -1.45 3.26 -0.40 0.00 0.04 -1.26 -4.94 135.00 130.25 2bkc s PRO 88 Ca -0.15 1.77 -0.28 0.00 0.04 0.00 0.00 61.00 62.38 2bkc s PRO 88 Cb -0.08 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.42 2bkc s PRO 88 CO 0.00 -0.97 1.08 -0.47 0.04 0.00 0.00 177.00 176.69 2bkc s TYR 89 N -1.62 2.99 0.02 0.56 5.04 -1.26 -4.88 117.35 118.20 2bkc s TYR 89 Ca 0.73 0.91 -0.01 0.00 -2.44 0.00 0.00 57.07 56.27 2bkc s TYR 89 Cb -0.29 -4.01 -0.00 0.00 0.35 0.00 0.00 41.96 38.02 2bkc s TYR 89 CO 0.32 -1.00 -0.01 0.25 -1.34 0.00 0.00 175.55 173.77 2bkc n THR 90 N 6.31 0.44 -3.29 4.34 -2.24 -1.26 -5.03 114.28 113.54 2bkc n THR 90 Ca 0.11 0.17 -0.38 0.00 -2.27 0.00 0.00 64.05 61.68 2bkc n THR 90 Cb 0.48 -1.27 -0.06 0.00 -2.10 0.00 0.00 70.33 67.39 2bkc n THR 90 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2bkc s LYS 91 N -1.38 4.31 0.35 -0.78 2.20 -1.26 -5.03 119.74 118.15 2bkc s LYS 91 Ca -0.01 0.52 -0.14 0.00 -0.36 0.00 0.00 55.97 55.97 2bkc s LYS 91 Cb 0.00 -3.41 -0.11 0.00 -1.51 0.00 0.00 37.83 32.80 2bkc s LYS 91 CO 0.02 0.22 -0.04 -2.30 -0.36 0.00 0.00 175.35 172.89 2bkc n PRO 92 N 3.41 0.00 -4.03 4.03 -0.02 -1.26 -5.02 135.00 132.11 2bkc n PRO 92 Ca -0.07 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.29 2bkc n PRO 92 Cb 0.52 -0.74 -0.12 0.00 -0.02 0.00 0.00 33.50 33.13 2bkc n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2bkc s LYS 93 N -0.74 0.38 0.66 -0.52 1.02 -1.26 -5.17 119.74 114.11 2bkc s LYS 93 Ca 0.43 -0.51 -0.12 0.00 0.02 0.00 0.00 55.97 55.80 2bkc s LYS 93 Cb -0.40 -0.17 -0.01 0.00 -0.52 0.00 0.00 37.83 36.73 2bkc s LYS 93 CO 0.48 0.03 1.05 0.99 -0.92 0.00 0.00 175.35 176.98 2bkc s THR 94 N -0.98 4.20 0.28 2.17 2.01 -1.26 -4.78 115.64 117.29 2bkc s THR 94 Ca -0.08 0.76 0.01 0.00 0.31 0.00 0.00 61.69 62.69 2bkc s THR 94 Cb -0.07 -3.53 0.28 0.00 0.01 0.00 0.00 72.50 69.19 2bkc s THR 94 CO -0.00 -0.89 1.85 -0.03 -0.69 0.00 0.00 174.62 174.85 2bkc h MET 95 N -0.44 0.99 -0.30 4.92 4.05 -1.99 -1.21 114.93 120.95 2bkc h MET 95 Ca -0.44 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 58.89 2bkc h MET 95 Cb 1.20 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.77 2bkc h MET 95 CO 0.58 0.65 0.08 -0.44 0.23 0.00 0.00 176.91 178.02 2bkc h ASP 96 N 1.02 0.45 -0.52 1.39 3.32 -1.95 -1.59 116.42 118.54 2bkc h ASP 96 Ca 0.48 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 2bkc h ASP 96 Cb 0.44 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 2bkc h ASP 96 CO -0.24 0.55 0.32 1.56 -1.72 0.00 0.00 179.24 179.71 2bkc h GLN 97 N 0.33 0.71 -0.05 3.56 4.20 -1.82 -1.12 115.11 120.92 2bkc h GLN 97 Ca 0.10 -0.05 -0.23 0.00 0.06 0.00 0.00 58.65 58.52 2bkc h GLN 97 Cb 0.27 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 27.91 2bkc h GLN 97 CO -0.00 0.50 -0.89 -0.07 -0.67 0.00 0.00 178.83 177.69 2bkc h LEU 98 N 0.73 0.72 -1.38 1.46 3.38 -1.07 -2.83 115.31 116.32 2bkc h LEU 98 Ca 0.19 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 2bkc h LEU 98 Cb -0.04 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 2bkc h LEU 98 CO -0.04 1.32 -0.09 0.24 0.09 0.00 0.00 178.44 179.97 2bkc h MET 99 N 0.36 0.00 0.15 1.13 2.86 -0.83 -2.18 114.93 116.42 2bkc h MET 99 Ca -0.08 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.26 2bkc h MET 99 Cb 1.52 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.19 2bkc h MET 99 CO 0.17 0.09 -1.39 0.93 1.06 0.00 0.00 176.91 177.76 2bkc h GLU 100 N 0.00 0.32 -0.57 1.72 5.08 -1.12 -0.12 114.58 119.89 2bkc h GLU 100 Ca -0.00 -0.55 -0.05 0.00 -1.00 0.00 0.00 59.36 57.76 2bkc h GLU 100 Cb 0.58 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 2bkc h GLU 100 CO 0.01 1.24 0.14 0.22 -1.00 0.00 0.00 179.01 179.62 2bkc h ASP 101 N 0.09 0.81 0.23 1.42 3.58 -1.45 0.19 116.42 121.29 2bkc h ASP 101 Ca -0.20 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.10 2bkc h ASP 101 Cb 2.03 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.87 2bkc h ASP 101 CO 0.21 0.79 -0.11 0.25 -2.88 0.00 0.00 179.24 177.50 2bkc h LEU 102 N 0.84 -0.27 -0.48 2.28 6.46 -1.22 -1.16 115.31 121.77 2bkc h LEU 102 Ca 0.18 -0.14 -0.07 0.00 -0.12 0.00 0.00 57.88 57.73 2bkc h LEU 102 Cb 0.30 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 2bkc h LEU 102 CO -0.00 -0.01 0.03 0.58 -0.62 0.00 0.00 178.44 178.42 2bkc h VAL 103 N -0.53 1.26 -0.67 1.05 2.07 -0.97 -1.03 116.25 117.42 2bkc h VAL 103 Ca -0.03 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.52 2bkc h VAL 103 Cb 0.39 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2bkc h VAL 103 CO 0.05 0.35 0.45 1.23 0.02 0.00 0.00 177.57 179.67 2bkc h GLY 104 N 0.69 0.90 1.38 2.17 0.00 -0.54 -0.55 103.07 107.13 2bkc h GLY 104 Ca 0.14 -0.30 -0.21 0.00 0.00 0.00 0.00 47.33 46.96 2bkc h GLY 104 CO 0.02 0.25 -0.80 -0.84 0.00 0.00 0.00 176.54 175.16 2bkc h THR 105 N 0.76 1.33 -0.58 4.70 2.02 -0.55 -2.55 112.91 118.04 2bkc h THR 105 Ca 0.28 -2.11 0.06 0.00 0.77 0.00 0.00 66.41 65.40 2bkc h THR 105 Cb 0.14 2.11 -0.05 0.00 -1.74 0.00 0.00 68.15 68.61 2bkc h THR 105 CO -0.08 0.65 0.29 -0.07 0.37 0.00 0.00 175.52 176.68 2bkc h LEU 106 N 0.39 0.40 -0.40 2.58 3.38 -0.61 -2.00 115.31 119.06 2bkc h LEU 106 Ca -0.05 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2bkc h LEU 106 Cb 1.42 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 2bkc h LEU 106 CO 0.15 0.26 0.25 -0.33 0.09 0.00 0.00 178.44 178.87 2bkc h GLU 107 N 0.54 0.53 0.15 1.13 5.08 -1.10 0.16 114.58 121.07 2bkc h GLU 107 Ca 0.27 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2bkc h GLU 107 Cb 0.21 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 2bkc h GLU 107 CO -0.20 0.37 -0.45 1.25 -1.00 0.00 0.00 179.01 178.99 2bkc h LEU 108 N 0.53 -1.31 -0.49 1.33 6.46 -1.27 -1.51 115.31 119.05 2bkc h LEU 108 Ca 0.14 0.14 0.08 0.00 -0.12 0.00 0.00 57.88 58.12 2bkc h LEU 108 Cb -0.04 0.49 -0.06 0.00 -0.73 0.00 0.00 40.66 40.32 2bkc h LEU 108 CO -0.03 -0.52 0.11 -0.07 -0.62 0.00 0.00 178.44 177.32 2bkc h LEU 109 N -0.70 0.04 -0.53 2.25 3.38 -1.20 -1.33 115.31 117.23 2bkc h LEU 109 Ca 0.01 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.17 2bkc h LEU 109 Cb 0.71 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.46 2bkc h LEU 109 CO -0.24 0.05 -0.20 -0.09 0.09 0.00 0.00 178.44 178.05 2bkc h ARG 110 N 0.26 -0.08 -0.10 1.13 2.43 -0.42 0.12 114.38 117.72 2bkc h ARG 110 Ca 0.24 0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.22 2bkc h ARG 110 Cb 0.31 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2bkc h ARG 110 CO -0.30 -0.05 -0.76 -0.44 -1.51 0.00 0.00 179.97 176.91 2bkc h ASP 111 N -0.08 0.66 -0.15 -3.80 3.32 -0.75 -0.75 116.42 114.88 2bkc h ASP 111 Ca 0.25 -0.44 -0.14 0.00 0.02 0.00 0.00 57.03 56.72 2bkc h ASP 111 Cb 0.46 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2bkc h ASP 111 CO -0.58 1.20 -0.40 -0.33 -1.72 0.00 0.00 179.24 177.40 2bkc h GLU 112 N 0.38 0.68 -0.57 3.56 5.08 -1.04 -2.31 114.58 120.36 2bkc h GLU 112 Ca -0.04 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 2bkc h GLU 112 Cb 1.35 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.59 2bkc h GLU 112 CO 0.14 0.96 0.28 1.88 -1.00 0.00 0.00 179.01 181.27 2bkc h TYR 113 N 0.56 0.78 -0.62 4.33 -1.99 -0.46 -1.60 116.97 117.97 2bkc h TYR 113 Ca 0.05 -0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.80 2bkc h TYR 113 Cb 0.94 -0.25 -0.05 0.00 2.00 0.00 0.00 36.73 39.37 2bkc h TYR 113 CO 0.04 0.57 0.36 -0.22 -0.00 0.00 0.00 178.16 178.92 2bkc h LYS 114 N 0.79 0.68 -0.36 4.88 3.11 -0.72 0.10 116.57 125.06 2bkc h LYS 114 Ca 0.20 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.99 2bkc h LYS 114 Cb 0.08 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 31.14 2bkc h LYS 114 CO -0.03 0.45 0.19 1.96 -2.81 0.00 0.00 179.45 179.21 2bkc h GLN 115 N 0.70 0.50 -0.63 1.90 4.20 -0.95 -2.35 115.11 118.48 2bkc h GLN 115 Ca 0.26 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.95 2bkc h GLN 115 Cb 0.09 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 2bkc h GLN 115 CO -0.14 0.43 0.41 0.78 -0.67 0.00 0.00 178.83 179.65 2bkc h GLY 116 N 0.45 0.83 1.45 3.46 0.00 -0.82 -1.25 103.07 107.19 2bkc h GLY 116 Ca 0.12 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 2bkc h GLY 116 CO -0.02 0.24 -0.20 -2.22 0.00 0.00 0.00 176.54 174.34 2bkc h ILE 117 N 0.71 1.26 -0.00 2.60 2.04 -0.43 -1.64 117.51 122.05 2bkc h ILE 117 Ca 0.26 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.83 2bkc h ILE 117 Cb 0.13 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2bkc h ILE 117 CO -0.07 0.41 -0.14 -0.33 0.00 0.00 0.00 178.15 178.02 2bkc h GLU 118 N 0.57 0.10 -0.54 2.37 5.08 -0.85 -2.50 114.58 118.81 2bkc h GLU 118 Ca 0.09 -0.10 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 2bkc h GLU 118 Cb 0.66 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.83 2bkc h GLU 118 CO 0.05 0.85 -0.22 1.25 -1.00 0.00 0.00 179.01 179.94 2bkc h LEU 119 N -0.60 -0.76 -0.66 1.33 5.85 -1.28 -1.00 115.31 118.19 2bkc h LEU 119 Ca -0.02 0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.77 2bkc h LEU 119 Cb 0.89 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 2bkc h LEU 119 CO 0.03 -0.24 -0.59 0.00 -0.34 0.00 0.00 178.44 177.29 2bkc h THR 120 N -0.09 1.28 -0.21 1.05 1.03 -1.34 0.45 112.91 115.08 2bkc h THR 120 Ca 0.25 -2.13 -0.20 0.00 -0.01 0.00 0.00 66.41 64.32 2bkc h THR 120 Cb 0.48 2.20 0.00 0.00 -1.07 0.00 0.00 68.15 69.76 2bkc h THR 120 CO -0.60 0.58 -0.66 -0.78 -0.01 0.00 0.00 175.52 174.06 2bkc h ASP 121 N 0.00 0.88 -0.15 0.00 1.82 -1.11 -0.54 116.42 117.32 2bkc h ASP 121 Ca -0.01 -0.52 -0.11 0.00 -0.39 0.00 0.00 57.03 56.00 2bkc h ASP 121 Cb 1.15 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.89 2bkc h ASP 121 CO 0.08 1.31 -0.28 0.11 -1.61 0.00 0.00 179.24 178.84 2bkc h LYS 122 N 0.56 0.63 0.00 0.28 1.57 -0.53 -3.01 116.57 116.07 2bkc h LYS 122 Ca -0.02 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2bkc h LYS 122 Cb 1.26 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2bkc h LYS 122 CO 0.14 0.84 0.00 0.39 -0.57 0.00 0.00 179.45 180.25 2bkc n GLU 123 N -4.09 0.41 -1.94 3.15 1.02 0.09 -4.90 120.64 114.38 2bkc n GLU 123 Ca -0.01 0.02 -0.06 0.00 -0.02 0.00 0.00 57.16 57.10 2bkc n GLU 123 Cb 0.45 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.36 2bkc n GLU 123 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bkc n GLY 124 N 1.12 0.26 3.36 0.62 0.00 -0.95 -4.98 105.19 104.62 2bkc n GLY 124 Ca 0.14 -0.68 -0.45 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.78 7.22 0.42 1.61 3.68 -0.25 -4.90 116.67 121.66 2bkc s ASP 125 Ca 0.00 -3.39 0.09 0.00 2.13 0.00 0.00 52.55 51.38 2bkc s ASP 125 Cb 0.00 -2.25 0.92 0.00 -1.45 0.00 0.00 42.92 40.14 2bkc s ASP 125 CO 0.00 -0.40 2.06 0.44 0.13 0.00 0.00 175.17 177.39 2bkc h ASP 126 N 6.88 0.42 0.30 -0.34 3.32 -1.94 -2.01 116.42 123.05 2bkc h ASP 126 Ca 0.20 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2bkc h ASP 126 Cb 0.89 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.34 2bkc h ASP 126 CO 1.03 0.30 -0.14 0.58 -1.72 0.00 0.00 179.24 179.29 2bkc h VAL 127 N 0.49 0.67 -0.84 -1.35 2.07 -1.96 -1.53 116.25 113.80 2bkc h VAL 127 Ca 0.16 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 67.02 2bkc h VAL 127 Cb 0.03 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 2bkc h VAL 127 CO -0.04 0.13 0.53 0.74 0.02 0.00 0.00 177.57 178.95 2bkc h THR 128 N -0.82 1.09 -0.24 2.57 2.02 -1.95 0.17 112.91 115.75 2bkc h THR 128 Ca -0.04 -0.35 0.06 0.00 0.77 0.00 0.00 66.41 66.85 2bkc h THR 128 Cb 0.51 -0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.85 2bkc h THR 128 CO 0.07 0.18 -0.24 -1.13 0.37 0.00 0.00 175.52 174.77 2bkc h ASN 129 N 1.01 -0.77 -0.59 4.18 -0.73 -1.36 -1.13 115.58 116.19 2bkc h ASN 129 Ca 0.35 0.14 -0.01 0.00 1.87 0.00 0.00 56.30 58.65 2bkc h ASN 129 Cb 0.07 0.36 -0.03 0.00 0.27 0.00 0.00 38.32 39.00 2bkc h ASN 129 CO -0.14 -0.28 0.34 -0.78 -0.37 0.00 0.00 177.43 176.21 2bkc h ASP 130 N -0.25 0.72 -0.23 1.15 3.58 -0.51 -2.24 116.42 118.64 2bkc h ASP 130 Ca 0.14 -0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.53 2bkc h ASP 130 Cb 0.46 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2bkc h ASP 130 CO -0.38 0.58 0.10 -0.03 -2.88 0.00 0.00 179.24 176.62 2bkc h MET 131 N 0.79 0.21 -0.75 0.28 4.05 -0.68 -2.69 114.93 116.15 2bkc h MET 131 Ca 0.21 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.60 2bkc h MET 131 Cb 0.00 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.72 2bkc h MET 131 CO -0.04 0.14 0.39 -0.07 0.23 0.00 0.00 176.91 177.56 2bkc h LEU 132 N 0.22 0.94 0.10 3.39 4.07 -1.02 -2.37 115.31 120.64 2bkc h LEU 132 Ca 0.10 -0.09 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 2bkc h LEU 132 Cb 0.04 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.55 2bkc h LEU 132 CO -0.08 0.78 -0.05 0.40 -1.08 0.00 0.00 178.44 178.41 2bkc h ILE 133 N 1.05 0.98 -0.88 1.22 2.04 -1.16 -1.44 117.51 119.33 2bkc h ILE 133 Ca 0.26 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.88 2bkc h ILE 133 Cb 0.06 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 2bkc h ILE 133 CO -0.04 0.07 0.58 0.00 0.00 0.00 0.00 178.15 178.76 2bkc h ALA 134 N 0.63 1.49 -0.68 1.87 0.00 -1.31 0.24 119.26 121.50 2bkc h ALA 134 Ca -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2bkc h ALA 134 Cb 0.22 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2bkc h ALA 134 CO 0.02 0.40 0.24 0.74 0.00 0.00 0.00 179.25 180.66 2bkc h PHE 135 N 1.05 1.03 -0.42 0.00 0.05 -1.28 -2.83 116.94 114.54 2bkc h PHE 135 Ca 0.36 -0.08 -0.10 0.00 3.82 0.00 0.00 57.97 61.98 2bkc h PHE 135 Cb 0.11 -0.31 -0.02 0.00 2.00 0.00 0.00 35.95 37.74 2bkc h PHE 135 CO -0.00 0.80 -0.14 -0.22 -0.18 0.00 0.00 178.31 178.57 2bkc h LYS 136 N 0.99 0.76 -0.44 1.51 3.64 0.09 -2.03 116.57 121.10 2bkc h LYS 136 Ca 0.23 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2bkc h LYS 136 Cb 0.23 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2bkc h LYS 136 CO -0.02 0.86 0.24 0.00 -2.27 0.00 0.00 179.45 178.27 2bkc h ALA 137 N 1.16 1.61 -0.05 5.00 0.00 -0.85 0.90 119.26 127.04 2bkc h ALA 137 Ca 0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2bkc h ALA 137 Cb 0.62 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2bkc h ALA 137 CO 0.04 0.33 -0.25 1.03 0.00 0.00 0.00 179.25 180.41 2bkc h SER 138 N 0.60 0.30 -0.83 0.00 0.87 -1.41 -2.85 113.55 110.24 2bkc h SER 138 Ca 0.16 -0.66 0.04 0.00 -1.23 0.00 0.00 61.79 60.10 2bkc h SER 138 Cb 0.01 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 61.83 2bkc h SER 138 CO -0.03 0.91 0.52 0.40 -0.53 0.00 0.00 176.83 178.11 2bkc h ILE 139 N -0.29 1.10 -0.84 2.23 2.04 -0.83 -0.73 117.51 120.19 2bkc h ILE 139 Ca -0.02 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.51 2bkc h ILE 139 Cb 0.91 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 2bkc h ILE 139 CO 0.05 0.18 0.55 0.44 0.00 0.00 0.00 178.15 179.38 2bkc h ASP 140 N 1.00 0.95 -0.44 1.72 3.32 -0.86 -0.56 116.42 121.55 2bkc h ASP 140 Ca 0.34 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.23 2bkc h ASP 140 Cb 0.06 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2bkc h ASP 140 CO -0.13 0.68 -0.26 0.50 -1.72 0.00 0.00 179.24 178.31 2bkc h LYS 141 N 1.12 0.97 -0.53 3.56 3.64 -1.22 -2.06 116.57 122.05 2bkc h LYS 141 Ca 0.32 -0.44 -0.11 0.00 -1.27 0.00 0.00 60.65 59.15 2bkc h LYS 141 Cb -0.10 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2bkc h LYS 141 CO -0.08 1.11 -0.10 0.45 -2.27 0.00 0.00 179.45 178.56 2bkc h HIS 142 N 0.82 1.12 -0.41 1.91 3.86 -0.84 -1.29 115.15 120.33 2bkc h HIS 142 Ca 0.10 -0.23 0.01 0.00 -1.16 0.00 0.00 60.37 59.08 2bkc h HIS 142 Cb 0.84 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 2bkc h HIS 142 CO 0.05 1.05 0.26 0.82 0.86 0.00 0.00 177.93 180.97 2bkc h ILE 143 N 0.88 1.08 -0.14 2.45 2.04 -1.05 0.13 117.51 122.90 2bkc h ILE 143 Ca 0.14 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2bkc h ILE 143 Cb 0.67 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2bkc h ILE 143 CO 0.05 0.10 0.09 -0.25 0.00 0.00 0.00 178.15 178.14 2bkc h TRP 144 N 0.53 0.18 0.05 1.37 7.01 -1.13 -1.78 115.95 122.18 2bkc h TRP 144 Ca 0.15 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 2bkc h TRP 144 Cb -0.04 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 26.96 2bkc h TRP 144 CO -0.06 0.13 -0.02 0.52 -2.79 0.00 0.00 178.44 176.22 2bkc h MET 145 N 0.18 -0.07 -0.04 2.65 2.86 -0.96 -1.54 114.93 118.02 2bkc h MET 145 Ca 0.05 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 2bkc h MET 145 Cb -0.01 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2bkc h MET 145 CO -0.01 0.15 -0.37 0.74 1.06 0.00 0.00 176.91 178.48 2bkc h PHE 146 N -0.27 0.08 -0.64 -0.22 -1.00 -0.76 -1.43 116.94 112.69 2bkc h PHE 146 Ca -0.01 -0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.68 2bkc h PHE 146 Cb 0.24 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 39.76 2bkc h PHE 146 CO -0.01 0.43 0.09 0.87 -1.61 0.00 0.00 178.31 178.08 2bkc h LYS 147 N 0.06 1.05 -0.50 1.51 1.79 -1.28 -2.42 116.57 116.77 2bkc h LYS 147 Ca 0.01 -0.28 -0.03 0.00 -2.18 0.00 0.00 60.65 58.16 2bkc h LYS 147 Cb 0.68 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 2bkc h LYS 147 CO 0.05 0.97 0.19 0.00 -1.08 0.00 0.00 179.45 179.59 2bkc h ALA 148 N 1.10 0.66 -0.95 3.86 0.00 -0.81 0.19 119.26 123.31 2bkc h ALA 148 Ca 0.19 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.10 2bkc h ALA 148 Cb 0.44 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 2bkc h ALA 148 CO 0.01 0.27 0.60 0.35 0.00 0.00 0.00 179.25 180.49 2bkc h PHE 149 N 0.68 0.93 -0.31 0.00 3.57 -1.14 -1.26 116.94 119.40 2bkc h PHE 149 Ca 0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2bkc h PHE 149 Cb 0.21 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2bkc h PHE 149 CO 0.01 0.30 0.00 1.28 -2.23 0.00 0.00 178.31 177.66 2bkc n LEU 150 N -4.62 3.00 0.00 0.59 4.77 -0.78 -4.92 117.00 115.03 2bkc n LEU 150 Ca 0.20 -1.51 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 2bkc n LEU 150 Cb 0.51 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2bkc n LEU 150 CO 0.27 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 2bkc n GLY 151 N 0.53 0.68 3.58 -0.72 0.00 -0.47 -5.02 105.19 103.77 2bkc n GLY 151 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.03 2.08 0.55 1.61 1.02 0.58 -4.97 119.74 120.58 2bkc s LYS 152 Ca 0.00 -1.30 -0.19 0.00 0.02 0.00 0.00 55.97 54.50 2bkc s LYS 152 Cb 0.00 -2.15 -0.05 0.00 -0.52 0.00 0.00 37.83 35.11 2bkc s LYS 152 CO 0.00 0.42 1.10 0.00 -0.92 0.00 0.00 175.35 175.95 2bkc s ALA 153 N -1.81 2.70 0.21 5.17 0.00 -1.26 -3.11 121.76 123.67 2bkc s ALA 153 Ca 0.26 0.70 -0.10 0.00 0.00 0.00 0.00 51.96 52.82 2bkc s ALA 153 Cb -0.08 -3.32 0.30 0.00 0.00 0.00 0.00 23.12 20.02 2bkc s ALA 153 CO 0.16 -0.75 1.70 -1.35 0.00 0.00 0.00 175.76 175.52 2bkc h PRO 154 N 1.03 0.24 -0.59 0.00 0.11 -1.88 -3.10 132.00 127.81 2bkc h PRO 154 Ca -0.49 -0.01 -0.29 0.00 0.11 0.00 0.00 66.00 65.31 2bkc h PRO 154 Cb 1.25 -0.06 -0.17 0.00 0.11 0.00 0.00 31.00 32.13 2bkc h PRO 154 CO 0.57 0.16 0.20 1.28 -0.21 0.00 0.00 178.00 180.00 2bkc n LEU 155 N -5.14 5.13 0.00 2.35 4.77 -1.26 -4.86 117.00 118.00 2bkc n LEU 155 Ca 0.09 -3.66 0.00 0.00 -0.03 0.00 0.00 56.01 52.41 2bkc n LEU 155 Cb 0.33 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2bkc n LEU 155 CO 0.16 1.14 0.08 1.21 -1.33 0.00 0.00 177.39 178.66