#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 2.86 0.28 4.52 -4.77 -1.26 -5.05 116.67 113.26 2bkc s ASP 8 Ca 0.00 -1.42 -0.02 0.00 -3.30 0.00 0.00 52.55 47.81 2bkc s ASP 8 Cb 0.00 -0.07 0.41 0.00 -1.09 0.00 0.00 42.92 42.17 2bkc s ASP 8 CO 0.00 -0.62 1.88 0.74 0.70 0.00 0.00 175.17 177.87 2bkc h THR 9 N 1.96 1.22 -0.53 2.11 2.02 -1.99 -1.04 112.91 116.66 2bkc h THR 9 Ca -0.41 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.08 2bkc h THR 9 Cb 1.25 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 2bkc h THR 9 CO 0.71 0.27 0.20 0.11 0.37 0.00 0.00 175.52 177.18 2bkc h LYS 10 N 0.93 0.81 -0.04 6.66 1.57 -1.97 -1.11 116.57 123.41 2bkc h LYS 10 Ca 0.22 -0.16 -0.17 0.00 -1.87 0.00 0.00 60.65 58.68 2bkc h LYS 10 Cb 0.14 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2bkc h LYS 10 CO -0.02 0.72 -0.72 0.93 -0.57 0.00 0.00 179.45 179.79 2bkc h GLU 11 N 0.73 0.21 -0.27 3.15 5.08 -1.83 -1.98 114.58 119.66 2bkc h GLU 11 Ca 0.18 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2bkc h GLU 11 Cb 0.22 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2bkc h GLU 11 CO -0.01 0.84 -0.14 0.35 -1.00 0.00 0.00 179.01 179.05 2bkc h PHE 12 N 0.14 0.66 -0.44 4.33 3.57 -0.98 -1.02 116.94 123.20 2bkc h PHE 12 Ca -0.02 -0.17 0.01 0.00 3.53 0.00 0.00 57.97 61.32 2bkc h PHE 12 Cb 1.27 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 2bkc h PHE 12 CO 0.02 0.83 0.28 -0.07 -2.23 0.00 0.00 178.31 177.13 2bkc h LEU 13 N 0.31 0.46 -0.76 0.59 4.07 -1.17 -2.40 115.31 116.41 2bkc h LEU 13 Ca 0.06 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 2bkc h LEU 13 Cb 0.65 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 42.25 2bkc h LEU 13 CO 0.04 0.33 0.42 -1.13 -1.08 0.00 0.00 178.44 177.02 2bkc h ASN 14 N 0.56 0.94 -0.88 -0.43 -0.73 -1.27 -1.55 115.58 112.22 2bkc h ASN 14 Ca 0.17 -0.09 0.09 0.00 1.87 0.00 0.00 56.30 58.33 2bkc h ASN 14 Cb -0.03 -0.24 -0.07 0.00 0.27 0.00 0.00 38.32 38.25 2bkc h ASN 14 CO -0.06 0.77 0.53 -0.74 -0.37 0.00 0.00 177.43 177.56 2bkc h HIS 15 N 1.05 0.96 0.00 0.67 2.76 -0.97 -1.44 115.15 118.17 2bkc h HIS 15 Ca 0.27 0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 58.29 2bkc h HIS 15 Cb 0.03 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.67 2bkc h HIS 15 CO -0.00 0.42 -0.82 1.96 -1.30 0.00 0.00 177.93 178.19 2bkc h GLN 16 N 0.90 0.03 -0.69 5.26 1.08 -0.88 -1.12 115.11 119.69 2bkc h GLN 16 Ca 0.41 -0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.67 2bkc h GLN 16 Cb 0.32 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.72 2bkc h GLN 16 CO -0.23 0.83 0.46 0.28 -0.95 0.00 0.00 178.83 179.22 2bkc h VAL 17 N 0.02 0.93 0.02 -0.54 2.07 -0.33 0.53 116.25 118.94 2bkc h VAL 17 Ca -0.01 -0.20 -0.14 0.00 0.82 0.00 0.00 66.70 67.17 2bkc h VAL 17 Cb 1.44 0.31 0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2bkc h VAL 17 CO 0.11 0.10 -0.56 0.00 0.02 0.00 0.00 177.57 177.25 2bkc h ALA 18 N 1.65 0.05 -0.89 1.67 0.00 -0.59 -3.02 119.26 118.12 2bkc h ALA 18 Ca 0.32 -0.57 0.13 0.00 0.00 0.00 0.00 54.91 54.79 2bkc h ALA 18 Cb 0.48 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 2bkc h ALA 18 CO -0.11 0.30 0.50 -0.91 0.00 0.00 0.00 179.25 179.04 2bkc h ASN 19 N -0.22 0.67 0.29 0.00 2.35 -0.72 -2.62 115.58 115.34 2bkc h ASN 19 Ca -0.07 0.07 -0.23 0.00 -0.55 0.00 0.00 56.30 55.52 2bkc h ASN 19 Cb 1.30 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.62 2bkc h ASN 19 CO 0.11 0.32 -0.95 -0.07 -1.65 0.00 0.00 177.43 175.19 2bkc h LEU 20 N 0.75 0.59 -0.93 1.61 -0.00 -0.96 -0.27 115.31 116.10 2bkc h LEU 20 Ca 0.46 -0.47 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 2bkc h LEU 20 Cb 0.57 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 41.01 2bkc h LEU 20 CO -0.31 1.27 0.46 0.78 -0.00 0.00 0.00 178.44 180.64 2bkc h ASN 21 N 0.26 1.09 -0.34 -0.43 2.35 -1.42 0.65 115.58 117.75 2bkc h ASN 21 Ca -0.09 -0.10 -0.11 0.00 -0.55 0.00 0.00 56.30 55.45 2bkc h ASN 21 Cb 1.59 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 2bkc h ASN 21 CO 0.17 0.89 -0.22 0.58 -1.65 0.00 0.00 177.43 177.19 2bkc h VAL 22 N 1.22 1.29 -0.69 2.81 2.07 -1.11 -3.13 116.25 118.71 2bkc h VAL 22 Ca 0.30 -1.36 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 2bkc h VAL 22 Cb 0.04 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2bkc h VAL 22 CO -0.05 0.44 0.22 0.15 0.02 0.00 0.00 177.57 178.36 2bkc h PHE 23 N 0.52 1.10 -0.07 1.57 3.57 -0.72 -1.62 116.94 121.29 2bkc h PHE 23 Ca 0.07 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2bkc h PHE 23 Cb 0.78 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 2bkc h PHE 23 CO 0.06 0.88 0.04 1.15 -2.23 0.00 0.00 178.31 178.22 2bkc h THR 24 N 1.01 1.03 -0.67 4.41 2.02 -0.90 0.24 112.91 120.05 2bkc h THR 24 Ca 0.22 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 2bkc h THR 24 Cb 0.29 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 2bkc h THR 24 CO -0.01 0.03 0.32 0.58 0.37 0.00 0.00 175.52 176.81 2bkc h VAL 25 N 0.08 1.23 -0.79 3.16 2.07 -1.48 -2.35 116.25 118.17 2bkc h VAL 25 Ca 0.02 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 66.94 2bkc h VAL 25 Cb 0.01 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 2bkc h VAL 25 CO -0.01 0.26 0.50 0.50 0.02 0.00 0.00 177.57 178.85 2bkc h LYS 26 N 0.92 0.94 -0.78 1.57 3.64 -0.59 -1.63 116.57 120.65 2bkc h LYS 26 Ca 0.23 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 2bkc h LYS 26 Cb 0.12 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 2bkc h LYS 26 CO -0.03 0.62 0.51 0.82 -2.27 0.00 0.00 179.45 179.11 2bkc h ILE 27 N 0.97 1.14 0.10 2.00 2.04 -0.04 -2.25 117.51 121.47 2bkc h ILE 27 Ca 0.32 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 2bkc h ILE 27 Cb 0.03 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 2bkc h ILE 27 CO -0.12 0.18 -0.05 0.45 0.00 0.00 0.00 178.15 178.61 2bkc h HIS 28 N 0.98 -0.13 -0.86 1.37 3.86 -0.90 -2.03 115.15 117.45 2bkc h HIS 28 Ca 0.30 -0.00 0.21 0.00 -1.16 0.00 0.00 60.37 59.72 2bkc h HIS 28 Cb -0.00 0.04 -0.12 0.00 1.06 0.00 0.00 27.41 28.39 2bkc h HIS 28 CO -0.00 -0.03 0.33 0.37 0.86 0.00 0.00 177.93 179.46 2bkc h GLN 29 N -0.19 0.34 0.05 2.45 4.15 -1.03 0.12 115.11 121.00 2bkc h GLN 29 Ca -0.01 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 2bkc h GLN 29 Cb 0.15 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.77 2bkc h GLN 29 CO 0.02 0.23 -0.02 0.82 -1.93 0.00 0.00 178.83 177.94 2bkc h ILE 30 N 0.35 1.13 -0.27 2.39 2.04 -1.18 -2.37 117.51 119.60 2bkc h ILE 30 Ca 0.53 -0.61 0.07 0.00 1.00 0.00 0.00 64.86 65.84 2bkc h ILE 30 Cb 0.99 1.54 -0.07 0.00 -0.74 0.00 0.00 36.82 38.53 2bkc h ILE 30 CO -0.54 0.15 -0.26 -0.74 0.00 0.00 0.00 178.15 176.76 2bkc h HIS 31 N -0.34 -0.71 -0.30 1.37 2.76 -0.72 -2.22 115.15 115.00 2bkc h HIS 31 Ca -0.01 0.04 -0.12 0.00 -2.20 0.00 0.00 60.37 58.09 2bkc h HIS 31 Cb 0.31 0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 2bkc h HIS 31 CO 0.02 -0.34 -0.29 -1.49 -1.30 0.00 0.00 177.93 174.53 2bkc h TRP 32 N -0.26 0.71 -0.04 5.26 6.55 -0.68 -3.17 115.95 124.33 2bkc h TRP 32 Ca 0.14 -0.17 0.00 0.00 0.95 0.00 0.00 58.89 59.81 2bkc h TRP 32 Cb 0.48 -0.17 0.00 0.00 -0.86 0.00 0.00 29.16 28.62 2bkc h TRP 32 CO -0.43 0.84 0.00 0.66 -1.05 0.00 0.00 178.44 178.47 2bkc n TYR 33 N -4.09 0.01 -2.52 0.49 4.02 -0.90 -4.99 117.16 109.18 2bkc n TYR 33 Ca -0.01 -0.01 -0.40 0.00 -0.01 0.00 0.00 57.90 57.48 2bkc n TYR 33 Cb 0.45 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.73 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 -1.98 4.65 0.05 -0.72 0.23 -0.84 -4.97 119.30 115.71 2bkc s MET 34 Ca 0.28 1.74 -0.00 0.00 -1.03 0.00 0.00 55.69 56.68 2bkc s MET 34 Cb 0.20 -3.16 -0.04 0.00 -1.53 0.00 0.00 34.83 30.30 2bkc s MET 34 CO 0.30 0.24 -0.04 1.03 -2.03 0.00 0.00 175.02 174.52 2bkc s ARG 35 N -1.47 0.59 0.00 3.16 0.52 -1.26 -4.92 118.95 115.57 2bkc s ARG 35 Ca 0.45 -1.09 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 2bkc s ARG 35 Cb -0.30 0.08 0.00 0.00 0.52 0.00 0.00 34.95 35.25 2bkc s ARG 35 CO 0.39 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 176.05 2bkc n GLY 36 N 0.45 -0.89 0.30 -3.53 0.00 -1.26 -4.58 105.19 95.68 2bkc n GLY 36 Ca -0.16 -2.16 0.19 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.21 1.61 3.86 -2.06 -2.56 115.15 115.79 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 -3.06 2.80 -0.20 2.45 5.03 -1.26 -4.57 115.26 116.44 2bkc n ASN 38 Ca -0.01 -1.89 -0.02 0.00 0.87 0.00 0.00 54.58 53.53 2bkc n ASN 38 Cb 0.21 -0.13 0.05 0.00 -1.02 0.00 0.00 39.78 38.89 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 3.89 -0.49 -0.10 3.10 3.57 -1.72 -0.82 116.94 124.37 2bkc h PHE 39 Ca 0.00 0.06 -0.18 0.00 3.53 0.00 0.00 57.97 61.38 2bkc h PHE 39 Cb 0.85 0.31 0.01 0.00 2.79 0.00 0.00 35.95 39.90 2bkc h PHE 39 CO 0.13 -0.30 -0.63 0.74 -2.23 0.00 0.00 178.31 176.02 2bkc h PHE 40 N -0.05 0.83 0.00 0.41 -1.00 -1.86 -1.45 116.94 113.81 2bkc h PHE 40 Ca 0.28 -0.38 -0.02 0.00 2.81 0.00 0.00 57.97 60.66 2bkc h PHE 40 Cb 0.49 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 39.92 2bkc h PHE 40 CO -0.54 1.18 -0.10 0.00 -1.61 0.00 0.00 178.31 177.25 2bkc h THR 41 N 0.24 0.22 0.00 -1.55 1.03 -1.78 -3.07 112.91 108.00 2bkc h THR 41 Ca -0.05 -0.86 -0.13 0.00 -0.01 0.00 0.00 66.41 65.36 2bkc h THR 41 Cb 1.28 1.71 -0.02 0.00 -1.07 0.00 0.00 68.15 70.04 2bkc h THR 41 CO 0.13 0.09 -1.71 -0.11 -0.01 0.00 0.00 175.52 173.91 2bkc n LEU 42 N -3.20 0.00 0.05 0.00 7.94 -0.34 -4.07 117.00 117.38 2bkc n LEU 42 Ca 0.01 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.88 2bkc n LEU 42 Cb 0.40 0.17 0.21 0.00 0.53 0.00 0.00 43.42 44.73 2bkc n LEU 42 CO 0.31 0.17 0.69 1.23 -1.11 0.00 0.00 177.39 178.68 2bkc h GLY 43 N 2.30 0.42 1.20 -3.96 0.00 -1.29 -0.95 103.07 100.79 2bkc h GLY 43 Ca -0.19 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 2bkc h GLY 43 CO 0.01 0.33 0.09 0.83 0.00 0.00 0.00 176.54 177.80 2bkc h GLU 44 N 0.33 0.98 0.00 4.80 5.08 -1.74 -1.27 114.58 122.77 2bkc h GLU 44 Ca 0.04 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.05 2bkc h GLU 44 Cb 0.74 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2bkc h GLU 44 CO 0.06 0.91 -0.50 0.87 -1.00 0.00 0.00 179.01 179.35 2bkc h LYS 45 N 0.92 0.00 -0.28 2.33 1.79 -1.63 -2.56 116.57 117.15 2bkc h LYS 45 Ca 0.19 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.50 2bkc h LYS 45 Cb 0.41 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 2bkc h LYS 45 CO 0.01 0.50 -0.46 0.52 -1.08 0.00 0.00 179.45 178.94 2bkc h MET 46 N 0.00 0.73 -0.89 3.15 2.86 -0.90 -1.89 114.93 117.99 2bkc h MET 46 Ca -0.00 -0.41 0.05 0.00 -2.06 0.00 0.00 59.70 57.28 2bkc h MET 46 Cb 0.91 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.54 2bkc h MET 46 CO 0.06 1.03 0.57 -0.44 1.06 0.00 0.00 176.91 179.19 2bkc h ASP 47 N 0.58 0.91 -0.40 1.22 3.32 -1.02 -0.94 116.42 120.09 2bkc h ASP 47 Ca 0.03 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.95 2bkc h ASP 47 Cb 1.02 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 2bkc h ASP 47 CO 0.10 0.60 -0.31 0.44 -1.72 0.00 0.00 179.24 178.35 2bkc h ASP 48 N 1.05 0.96 -0.35 6.45 3.32 -1.27 -2.90 116.42 123.68 2bkc h ASP 48 Ca 0.38 -0.44 -0.09 0.00 0.02 0.00 0.00 57.03 56.90 2bkc h ASP 48 Cb 0.12 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2bkc h ASP 48 CO -0.16 1.20 -0.08 0.25 -1.72 0.00 0.00 179.24 178.74 2bkc h LEU 49 N 0.74 0.75 -0.02 1.55 5.85 -1.25 0.13 115.31 123.05 2bkc h LEU 49 Ca 0.08 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 2bkc h LEU 49 Cb 0.89 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 2bkc h LEU 49 CO 0.08 0.87 0.01 0.22 -0.34 0.00 0.00 178.44 179.28 2bkc h TYR 50 N 0.71 0.03 -0.18 1.25 5.03 -1.13 -0.59 116.97 122.09 2bkc h TYR 50 Ca 0.13 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 2bkc h TYR 50 Cb 0.54 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.80 2bkc h TYR 50 CO 0.03 0.05 0.04 0.77 -1.32 0.00 0.00 178.16 177.73 2bkc h SER 51 N -0.00 0.27 -0.31 -2.11 0.02 -1.39 -1.90 113.55 108.13 2bkc h SER 51 Ca 0.01 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2bkc h SER 51 Cb 0.03 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2bkc h SER 51 CO -0.00 0.44 0.20 -0.08 -1.14 0.00 0.00 176.83 176.25 2bkc h GLU 52 N 0.09 0.40 0.00 3.45 4.81 -0.56 -0.67 114.58 122.11 2bkc h GLU 52 Ca 0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2bkc h GLU 52 Cb 0.28 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2bkc h GLU 52 CO 0.00 0.26 0.00 0.74 -0.73 0.00 0.00 179.01 179.29 2bkc h PHE 53 N 0.41 0.00 -0.07 0.92 -1.00 -1.10 -1.20 116.94 114.90 2bkc h PHE 53 Ca 0.11 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.88 2bkc h PHE 53 Cb -0.04 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.52 2bkc h PHE 53 CO -0.06 0.00 -0.00 0.78 -1.61 0.00 0.00 178.31 177.42 2bkc h GLY 54 N 4.24 0.13 0.53 -1.45 0.00 -0.98 -2.33 103.07 103.22 2bkc h GLY 54 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.26 2bkc h GLY 54 CO 0.00 0.09 -0.18 1.05 0.00 0.00 0.00 176.54 177.50 2bkc h GLU 55 N -0.18 -0.28 -0.63 4.80 -0.00 -0.40 -2.27 114.58 115.62 2bkc h GLU 55 Ca 0.02 0.02 0.13 0.00 -0.00 0.00 0.00 59.36 59.53 2bkc h GLU 55 Cb 0.36 0.06 -0.11 0.00 -0.00 0.00 0.00 28.75 29.06 2bkc h GLU 55 CO 0.00 -0.19 -0.01 1.96 -0.00 0.00 0.00 179.01 180.78 2bkc h GLN 56 N -0.29 0.10 -0.30 1.06 4.20 -1.32 -1.41 115.11 117.16 2bkc h GLN 56 Ca 0.06 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 2bkc h GLN 56 Cb 0.37 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2bkc h GLN 56 CO -0.19 0.07 0.09 1.98 -0.67 0.00 0.00 178.83 180.11 2bkc h MET 57 N 0.10 0.47 -0.53 1.46 4.05 -1.26 -1.03 114.93 118.20 2bkc h MET 57 Ca 0.33 -0.10 0.11 0.00 -0.28 0.00 0.00 59.70 59.75 2bkc h MET 57 Cb 0.53 -0.07 -0.10 0.00 -0.80 0.00 0.00 31.60 31.16 2bkc h MET 57 CO -0.55 0.53 -0.15 -0.44 0.23 0.00 0.00 176.91 176.54 2bkc h ASP 58 N 0.33 -0.54 -0.34 1.39 3.45 -0.78 -0.76 116.42 119.17 2bkc h ASP 58 Ca 0.10 0.16 -0.05 0.00 0.43 0.00 0.00 57.03 57.67 2bkc h ASP 58 Cb 0.26 0.34 -0.01 0.00 -0.56 0.00 0.00 39.33 39.36 2bkc h ASP 58 CO -0.00 -0.19 0.02 -0.33 -1.57 0.00 0.00 179.24 177.17 2bkc h GLU 59 N -0.02 0.60 -0.05 3.56 5.08 -0.73 -0.83 114.58 122.18 2bkc h GLU 59 Ca 0.25 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2bkc h GLU 59 Cb 0.40 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 2bkc h GLU 59 CO -0.55 0.70 -0.37 0.28 -1.00 0.00 0.00 179.01 178.07 2bkc h VAL 60 N 0.41 0.22 -0.81 3.13 2.07 -1.04 -0.08 116.25 120.15 2bkc h VAL 60 Ca 0.10 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.71 2bkc h VAL 60 Cb 0.42 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 2bkc h VAL 60 CO 0.01 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.07 2bkc h ALA 61 N 0.18 1.16 0.00 1.67 0.00 -0.87 0.88 119.26 122.28 2bkc h ALA 61 Ca 0.07 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 2bkc h ALA 61 Cb 0.60 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2bkc h ALA 61 CO -0.33 0.09 -0.72 0.93 0.00 0.00 0.00 179.25 179.22 2bkc h GLU 62 N 0.78 0.00 -0.11 0.00 5.08 -1.01 -1.95 114.58 117.36 2bkc h GLU 62 Ca 0.39 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.63 2bkc h GLU 62 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2bkc h GLU 62 CO -0.25 0.72 -0.40 -0.09 -1.00 0.00 0.00 179.01 177.99 2bkc h ARG 63 N 0.00 0.47 -0.80 2.33 9.65 -0.21 -1.45 114.38 124.37 2bkc h ARG 63 Ca -0.01 -0.36 0.14 0.00 -1.10 0.00 0.00 59.98 58.66 2bkc h ARG 63 Cb 1.32 0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 29.87 2bkc h ARG 63 CO 0.09 0.98 0.37 1.25 2.80 0.00 0.00 179.97 185.46 2bkc h LEU 64 N 0.05 0.41 -0.35 3.80 5.85 -0.81 -2.01 115.31 122.24 2bkc h LEU 64 Ca -0.02 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2bkc h LEU 64 Cb 1.04 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2bkc h LEU 64 CO 0.08 0.17 0.05 -0.07 -0.34 0.00 0.00 178.44 178.33 2bkc h LEU 65 N 0.54 0.56 -2.70 2.25 4.07 -1.24 0.94 115.31 119.73 2bkc h LEU 65 Ca 0.44 -0.26 -0.00 0.00 0.08 0.00 0.00 57.88 58.13 2bkc h LEU 65 Cb 0.63 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.22 2bkc h LEU 65 CO -0.38 0.68 -0.00 0.00 -1.08 0.00 0.00 178.44 177.66 2bkc h ALA 66 N 0.90 1.01 -0.68 1.53 0.00 -0.60 -1.83 119.26 119.59 2bkc h ALA 66 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 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 0.01 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.70 2bkc n ILE 67 N -3.10 1.00 -0.21 0.00 -5.35 -0.82 -4.96 119.36 105.92 2bkc n ILE 67 Ca -0.02 -1.00 0.00 0.00 -0.27 0.00 0.00 62.75 61.46 2bkc n ILE 67 Cb 0.12 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 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 1.48 0.84 3.93 3.28 0.00 -0.69 -5.08 105.19 108.94 2bkc n GLY 68 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.84 1.69 -0.29 -0.02 0.00 0.30 -4.99 107.32 102.17 2bkc s GLY 69 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.73 2bkc s GLY 69 CO 0.00 -0.44 0.05 -0.56 0.00 0.00 0.00 173.10 172.16 2bkc s SER 70 N -4.67 3.97 0.35 1.64 0.01 -1.26 -4.42 113.70 109.32 2bkc s SER 70 Ca 0.66 -1.53 -0.29 0.00 1.31 0.00 0.00 55.95 56.10 2bkc s SER 70 Cb -0.08 -1.01 -0.11 0.00 0.21 0.00 0.00 66.02 65.03 2bkc s SER 70 CO 0.49 -0.36 1.43 -2.16 0.41 0.00 0.00 173.24 173.04 2bkc s PRO 71 N 1.49 4.21 0.38 12.44 0.04 -1.26 -4.99 135.00 147.31 2bkc s PRO 71 Ca 0.06 2.43 -0.26 0.00 0.04 0.00 0.00 61.00 63.26 2bkc s PRO 71 Cb -0.18 -3.02 -0.11 0.00 0.04 0.00 0.00 34.50 31.23 2bkc s PRO 71 CO -0.17 -0.41 1.18 1.19 0.04 0.00 0.00 177.00 178.83 2bkc n PHE 72 N 0.82 1.84 -2.35 0.56 0.99 -1.26 -4.93 117.46 113.14 2bkc n PHE 72 Ca 0.01 0.56 -0.03 0.00 -0.00 0.00 0.00 57.45 58.00 2bkc n PHE 72 Cb 0.40 -2.34 0.00 0.00 -1.00 0.00 0.00 39.48 36.55 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 0.59 -0.31 -3.81 4.37 3.41 -1.26 -4.96 113.62 111.65 2bkc n SER 73 Ca 0.07 -2.04 -0.12 0.00 -0.26 0.00 0.00 58.87 56.51 2bkc n SER 73 Cb 0.37 0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.39 0.05 0.26 6.66 -4.23 -1.26 -5.04 115.64 111.69 2bkc s THR 74 Ca 0.13 -0.43 -0.01 0.00 -1.18 0.00 0.00 61.69 60.20 2bkc s THR 74 Cb 0.22 -0.46 0.25 0.00 1.34 0.00 0.00 72.50 73.84 2bkc s THR 74 CO -0.07 -0.24 1.75 -0.07 -0.54 0.00 0.00 174.62 175.45 2bkc h LEU 75 N 4.57 0.46 -0.09 4.79 4.07 -1.99 -2.00 115.31 125.12 2bkc h LEU 75 Ca -0.29 0.10 0.02 0.00 0.08 0.00 0.00 57.88 57.80 2bkc h LEU 75 Cb 1.19 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.94 2bkc h LEU 75 CO 0.39 0.17 -0.06 0.50 -1.08 0.00 0.00 178.44 178.36 2bkc h LYS 76 N 0.56 -0.07 -0.87 1.13 3.64 -1.99 -1.31 116.57 117.66 2bkc h LYS 76 Ca 0.47 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.83 2bkc h LYS 76 Cb 0.71 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 2bkc h LYS 76 CO -0.39 -0.04 0.46 0.93 -2.27 0.00 0.00 179.45 178.13 2bkc h GLU 77 N -0.07 1.23 -0.84 1.90 5.08 -1.90 -0.84 114.58 119.14 2bkc h GLU 77 Ca 0.06 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2bkc h GLU 77 Cb 0.15 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 2bkc h GLU 77 CO -0.13 0.92 0.50 0.74 -1.00 0.00 0.00 179.01 180.03 2bkc h PHE 78 N 1.23 1.11 -0.10 4.33 0.05 -0.83 -2.21 116.94 120.53 2bkc h PHE 78 Ca 0.30 -0.01 -0.02 0.00 3.82 0.00 0.00 57.97 62.07 2bkc h PHE 78 Cb 0.06 -0.36 -0.00 0.00 2.00 0.00 0.00 35.95 37.64 2bkc h PHE 78 CO 0.01 0.74 -0.03 -0.07 -0.18 0.00 0.00 178.31 178.78 2bkc h LEU 79 N 1.15 0.19 -1.14 1.54 3.38 -0.86 -1.92 115.31 117.67 2bkc h LEU 79 Ca 0.30 -0.39 0.20 0.00 0.09 0.00 0.00 57.88 58.08 2bkc h LEU 79 Cb -0.04 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.56 2bkc h LEU 79 CO -0.06 0.54 0.62 -0.33 0.09 0.00 0.00 178.44 179.30 2bkc h GLU 80 N -0.15 0.63 0.00 1.13 5.08 -1.11 -3.32 114.58 116.84 2bkc h GLU 80 Ca 0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2bkc h GLU 80 Cb 0.46 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2bkc h GLU 80 CO 0.01 0.42 -1.71 0.09 -1.00 0.00 0.00 179.01 176.82 2bkc n ASN 81 N -4.71 1.07 -4.78 1.42 4.13 -0.84 -5.02 115.26 106.53 2bkc n ASN 81 Ca 0.23 -0.06 -0.37 0.00 1.68 0.00 0.00 54.58 56.06 2bkc n ASN 81 Cb 0.64 1.73 -0.05 0.00 -1.54 0.00 0.00 39.78 40.56 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 -3.15 3.16 -0.58 5.41 0.00 -0.74 -4.94 121.76 120.93 2bkc s ALA 82 Ca -0.05 0.66 0.23 0.00 0.00 0.00 0.00 51.96 52.79 2bkc s ALA 82 Cb 0.11 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2bkc s ALA 82 CO 0.71 -0.07 0.94 -1.13 0.00 0.00 0.00 175.76 176.21 2bkc n SER 83 N 0.28 0.59 -4.72 0.00 3.41 -1.26 -4.92 113.62 106.99 2bkc n SER 83 Ca 0.03 -0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 57.95 2bkc n SER 83 Cb 0.49 0.97 -0.03 0.00 -0.26 0.00 0.00 64.21 65.38 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 -3.22 3.67 0.04 -3.33 1.01 -1.26 -5.01 120.40 112.30 2bkc s VAL 84 Ca 0.03 1.26 0.01 0.00 0.00 0.00 0.00 61.98 63.28 2bkc s VAL 84 Cb 0.14 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2bkc s VAL 84 CO 0.82 0.14 0.10 -1.61 0.00 0.00 0.00 175.10 174.55 2bkc s GLU 85 N 0.59 3.03 0.11 2.72 2.02 -1.26 -4.97 118.70 120.94 2bkc s GLU 85 Ca 0.58 -0.57 0.08 0.00 0.02 0.00 0.00 54.97 55.08 2bkc s GLU 85 Cb -0.33 -2.82 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 2bkc s GLU 85 CO 0.32 0.61 -0.19 -1.83 0.02 0.00 0.00 175.26 174.19 2bkc s GLU 86 N -2.12 1.08 0.00 1.61 -1.05 -1.26 -5.03 118.70 111.94 2bkc s GLU 86 Ca 0.27 -1.16 0.00 0.00 -0.15 0.00 0.00 54.97 53.93 2bkc s GLU 86 Cb -0.12 -1.24 -0.00 0.00 -0.44 0.00 0.00 34.13 32.32 2bkc s GLU 86 CO 0.19 0.28 -0.01 0.00 0.95 0.00 0.00 175.26 176.67 2bkc s ALA 87 N -1.37 0.04 0.56 -0.84 0.00 -1.26 -5.15 121.76 113.75 2bkc s ALA 87 Ca 0.06 -0.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.74 2bkc s ALA 87 Cb -0.09 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 2bkc s ALA 87 CO 0.04 -0.02 1.13 -1.25 0.00 0.00 0.00 175.76 175.66 2bkc s PRO 88 N -0.22 3.27 -0.32 0.00 0.04 -1.26 -4.97 135.00 131.54 2bkc s PRO 88 Ca -0.02 1.58 -0.23 0.00 0.04 0.00 0.00 61.00 62.36 2bkc s PRO 88 Cb -0.02 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2bkc s PRO 88 CO -0.00 -0.91 0.78 -0.47 0.04 0.00 0.00 177.00 176.44 2bkc s TYR 89 N -1.86 3.18 0.09 0.56 5.04 -1.26 -4.84 117.35 118.26 2bkc s TYR 89 Ca 0.72 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 2bkc s TYR 89 Cb -0.23 -3.24 0.00 0.00 0.35 0.00 0.00 41.96 38.83 2bkc s TYR 89 CO 0.29 -0.60 0.00 0.25 -1.34 0.00 0.00 175.55 174.16 2bkc n THR 90 N 5.58 0.46 -2.59 4.34 -2.24 -1.26 -5.05 114.28 113.53 2bkc n THR 90 Ca 0.03 0.15 -0.40 0.00 -2.27 0.00 0.00 64.05 61.56 2bkc n THR 90 Cb 0.48 -0.99 -0.05 0.00 -2.10 0.00 0.00 70.33 67.67 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 -1.54 4.71 0.76 -0.78 -0.14 -1.26 -5.01 119.74 116.48 2bkc s LYS 91 Ca 0.00 1.66 -0.14 0.00 -1.36 0.00 0.00 55.97 56.14 2bkc s LYS 91 Cb 0.00 -3.24 0.06 0.00 -1.68 0.00 0.00 37.83 32.96 2bkc s LYS 91 CO 0.00 0.30 1.17 -2.14 -0.76 0.00 0.00 175.35 173.92 2bkc s PRO 92 N -1.10 2.00 0.03 -1.68 0.02 -1.26 -5.04 135.00 127.97 2bkc s PRO 92 Ca 0.44 1.63 0.03 0.00 0.02 0.00 0.00 61.00 63.12 2bkc s PRO 92 Cb -0.29 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.38 2bkc s PRO 92 CO 0.36 -1.91 -0.09 0.15 -0.33 0.00 0.00 177.00 175.18 2bkc s LYS 93 N -4.16 0.65 0.87 5.54 3.01 -1.26 -5.14 119.74 119.25 2bkc s LYS 93 Ca 0.71 -0.61 -0.12 0.00 -1.01 0.00 0.00 55.97 54.95 2bkc s LYS 93 Cb -0.26 -0.57 0.12 0.00 -1.01 0.00 0.00 37.83 36.11 2bkc s LYS 93 CO 0.48 0.13 1.16 2.41 0.51 0.00 0.00 175.35 180.04 2bkc n THR 94 N 2.02 0.89 -0.09 2.17 -1.04 -1.26 -4.88 114.28 112.09 2bkc n THR 94 Ca -0.18 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 2bkc n THR 94 Cb 0.56 -1.08 0.29 0.00 -1.82 0.00 0.00 70.33 68.28 2bkc n THR 94 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 2bkc h MET 95 N -1.46 0.74 -0.06 -2.82 4.05 -1.99 -2.27 114.93 111.12 2bkc h MET 95 Ca -0.44 -0.09 0.04 0.00 -0.28 0.00 0.00 59.70 58.92 2bkc h MET 95 Cb 1.28 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 31.90 2bkc h MET 95 CO 0.43 0.58 -0.20 -0.44 0.23 0.00 0.00 176.91 177.51 2bkc h ASP 96 N 0.74 -0.62 -0.11 1.39 3.32 -1.96 -1.80 116.42 117.39 2bkc h ASP 96 Ca 0.18 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 2bkc h ASP 96 Cb 0.10 0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 2bkc h ASP 96 CO -0.02 -0.26 0.06 1.56 -1.72 0.00 0.00 179.24 178.85 2bkc h GLN 97 N -0.29 0.15 -0.68 3.56 4.20 -1.79 -0.82 115.11 119.43 2bkc h GLN 97 Ca 0.08 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.81 2bkc h GLN 97 Cb 0.40 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 2bkc h GLN 97 CO -0.23 0.18 0.45 -0.07 -0.67 0.00 0.00 178.83 178.48 2bkc h LEU 98 N 0.08 0.68 -0.19 1.46 3.38 -1.43 -1.73 115.31 117.56 2bkc h LEU 98 Ca 0.04 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 2bkc h LEU 98 Cb 0.07 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.67 2bkc h LEU 98 CO -0.01 0.46 -0.63 0.24 0.09 0.00 0.00 178.44 178.60 2bkc h MET 99 N 0.79 0.76 -0.50 1.13 2.86 -0.80 -2.21 114.93 116.95 2bkc h MET 99 Ca 0.28 -0.56 0.02 0.00 -2.06 0.00 0.00 59.70 57.38 2bkc h MET 99 Cb 0.12 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 2bkc h MET 99 CO -0.08 1.18 0.31 0.93 1.06 0.00 0.00 176.91 180.31 2bkc h GLU 100 N 0.48 0.60 -0.20 1.72 5.08 -0.94 0.16 114.58 121.48 2bkc h GLU 100 Ca -0.03 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2bkc h GLU 100 Cb 1.25 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2bkc h GLU 100 CO 0.13 0.39 -0.02 0.22 -1.00 0.00 0.00 179.01 178.74 2bkc h ASP 101 N 0.61 0.26 0.03 1.42 3.58 -1.28 0.13 116.42 121.17 2bkc h ASP 101 Ca 0.20 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 2bkc h ASP 101 Cb 0.00 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2bkc h ASP 101 CO -0.08 0.33 -0.01 0.25 -2.88 0.00 0.00 179.24 176.85 2bkc h LEU 102 N 0.28 -0.03 -0.31 2.28 6.46 -0.55 -2.03 115.31 121.42 2bkc h LEU 102 Ca 0.06 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 2bkc h LEU 102 Cb 0.23 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 2bkc h LEU 102 CO 0.01 0.29 0.20 0.58 -0.62 0.00 0.00 178.44 178.90 2bkc h VAL 103 N -0.35 1.09 -0.87 1.05 2.07 -0.43 -0.90 116.25 117.90 2bkc h VAL 103 Ca -0.00 -0.17 0.10 0.00 0.82 0.00 0.00 66.70 67.45 2bkc h VAL 103 Cb 0.33 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 2bkc h VAL 103 CO 0.01 0.08 0.56 1.23 0.02 0.00 0.00 177.57 179.47 2bkc h GLY 104 N 0.41 1.23 1.35 2.17 0.00 -0.76 -0.33 103.07 107.15 2bkc h GLY 104 Ca 0.11 -0.35 -0.24 0.00 0.00 0.00 0.00 47.33 46.85 2bkc h GLY 104 CO -0.02 0.18 -0.97 -0.84 0.00 0.00 0.00 176.54 174.89 2bkc h THR 105 N 0.83 1.33 -0.30 4.70 2.02 -0.86 -2.50 112.91 118.12 2bkc h THR 105 Ca 0.41 -2.29 -0.06 0.00 0.77 0.00 0.00 66.41 65.23 2bkc h THR 105 Cb 0.45 2.35 -0.02 0.00 -1.74 0.00 0.00 68.15 69.19 2bkc h THR 105 CO -0.17 0.70 -0.09 -0.07 0.37 0.00 0.00 175.52 176.26 2bkc h LEU 106 N 0.34 0.48 -0.34 2.58 3.38 -0.65 -1.69 115.31 119.41 2bkc h LEU 106 Ca -0.10 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 2bkc h LEU 106 Cb 1.61 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 2bkc h LEU 106 CO 0.18 0.61 -0.05 -0.33 0.09 0.00 0.00 178.44 178.94 2bkc h GLU 107 N 0.47 0.63 -0.56 1.13 5.08 -1.05 0.17 114.58 120.45 2bkc h GLU 107 Ca 0.09 -0.23 0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2bkc h GLU 107 Cb 0.44 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 2bkc h GLU 107 CO 0.02 0.79 0.27 1.25 -1.00 0.00 0.00 179.01 180.34 2bkc h LEU 108 N 0.42 0.35 -0.30 1.33 6.46 -1.34 -1.50 115.31 120.74 2bkc h LEU 108 Ca 0.09 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.85 2bkc h LEU 108 Cb 0.54 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 2bkc h LEU 108 CO 0.03 0.23 0.00 -0.07 -0.62 0.00 0.00 178.44 178.02 2bkc h LEU 109 N 0.50 0.51 -0.61 2.25 3.38 -1.01 -0.55 115.31 119.78 2bkc h LEU 109 Ca 0.26 -0.31 0.12 0.00 0.09 0.00 0.00 57.88 58.05 2bkc h LEU 109 Cb 0.22 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 2bkc h LEU 109 CO -0.21 0.69 0.07 -0.09 0.09 0.00 0.00 178.44 179.00 2bkc h ARG 110 N 0.32 0.18 0.02 1.13 2.43 -0.48 -0.34 114.38 117.65 2bkc h ARG 110 Ca 0.08 -0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 59.03 2bkc h ARG 110 Cb 0.43 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 2bkc h ARG 110 CO 0.01 0.12 -0.96 -0.44 -1.51 0.00 0.00 179.97 177.20 2bkc h ASP 111 N 0.19 0.34 -0.05 -3.80 3.32 -0.80 -1.53 116.42 114.08 2bkc h ASP 111 Ca 0.32 -0.29 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 2bkc h ASP 111 Cb 0.51 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2bkc h ASP 111 CO -0.46 1.12 -0.28 -0.33 -1.72 0.00 0.00 179.24 177.56 2bkc h GLU 112 N 0.13 0.50 -0.14 3.56 5.08 -1.00 -2.87 114.58 119.84 2bkc h GLU 112 Ca -0.07 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 57.97 2bkc h GLU 112 Cb 1.61 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 2bkc h GLU 112 CO 0.15 0.74 -0.42 1.88 -1.00 0.00 0.00 179.01 180.36 2bkc h TYR 113 N 0.44 0.38 -0.97 4.33 -1.99 -0.78 -1.80 116.97 116.58 2bkc h TYR 113 Ca 0.06 -0.11 0.04 0.00 2.00 0.00 0.00 58.73 60.72 2bkc h TYR 113 Cb 0.72 -0.08 -0.06 0.00 2.00 0.00 0.00 36.73 39.31 2bkc h TYR 113 CO 0.02 0.70 0.64 -0.22 -0.00 0.00 0.00 178.16 179.30 2bkc h LYS 114 N 0.27 1.17 -0.37 4.88 1.63 -1.17 0.64 116.57 123.61 2bkc h LYS 114 Ca 0.02 -0.07 -0.16 0.00 -0.85 0.00 0.00 60.65 59.60 2bkc h LYS 114 Cb 0.86 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.22 2bkc h LYS 114 CO 0.07 0.77 -0.37 1.96 -3.45 0.00 0.00 179.45 178.43 2bkc h GLN 115 N 1.20 0.91 -0.26 1.90 4.20 -1.24 -2.24 115.11 119.59 2bkc h GLN 115 Ca 0.39 -0.48 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 2bkc h GLN 115 Cb 0.05 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2bkc h GLN 115 CO -0.13 1.13 -0.11 0.78 -0.67 0.00 0.00 178.83 179.83 2bkc h GLY 116 N 0.73 0.46 0.74 3.46 0.00 -1.05 -0.04 103.07 107.37 2bkc h GLY 116 Ca 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2bkc h GLY 116 CO 0.09 0.28 0.00 -2.22 0.00 0.00 0.00 176.54 174.70 2bkc h ILE 117 N 0.40 1.25 -0.16 2.60 2.04 -0.61 -1.41 117.51 121.61 2bkc h ILE 117 Ca 0.08 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 2bkc h ILE 117 Cb 0.44 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 2bkc h ILE 117 CO 0.02 0.21 0.08 -0.33 0.00 0.00 0.00 178.15 178.14 2bkc h GLU 118 N -0.16 0.23 -0.94 2.37 5.08 -1.14 -0.71 114.58 119.31 2bkc h GLU 118 Ca 0.02 -0.03 0.21 0.00 -1.00 0.00 0.00 59.36 58.56 2bkc h GLU 118 Cb 0.34 -0.04 -0.12 0.00 0.50 0.00 0.00 28.75 29.43 2bkc h GLU 118 CO 0.00 0.26 0.51 1.25 -1.00 0.00 0.00 179.01 180.03 2bkc h LEU 119 N 0.15 0.57 0.00 1.33 6.46 -0.94 -1.88 115.31 120.99 2bkc h LEU 119 Ca 0.06 0.13 -0.20 0.00 -0.12 0.00 0.00 57.88 57.74 2bkc h LEU 119 Cb 0.10 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 2bkc h LEU 119 CO -0.01 0.13 -1.20 0.00 -0.62 0.00 0.00 178.44 176.74 2bkc h THR 120 N 0.58 1.03 -0.09 1.05 1.03 -0.93 -2.35 112.91 113.22 2bkc h THR 120 Ca 0.57 -2.67 -0.01 0.00 -0.01 0.00 0.00 66.41 64.29 2bkc h THR 120 Cb 1.00 2.46 -0.00 0.00 -1.07 0.00 0.00 68.15 70.54 2bkc h THR 120 CO -0.45 0.59 0.02 -0.78 -0.01 0.00 0.00 175.52 174.89 2bkc h ASP 121 N 0.00 0.14 0.91 0.00 3.58 -0.57 -1.29 116.42 119.18 2bkc h ASP 121 Ca -0.12 -0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.05 2bkc h ASP 121 Cb 1.73 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.73 2bkc h ASP 121 CO 0.08 0.35 -0.16 0.11 -2.88 0.00 0.00 179.24 176.74 2bkc h LYS 122 N -0.07 0.00 0.00 0.28 1.57 -1.35 -1.08 116.57 115.92 2bkc h LYS 122 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2bkc h LYS 122 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2bkc h LYS 122 CO 0.00 0.16 -0.13 -1.91 -0.57 0.00 0.00 179.45 177.00 2bkc n GLU 123 N -3.34 0.01 -1.15 3.15 2.13 -0.89 -4.95 120.64 115.61 2bkc n GLU 123 Ca 0.00 0.01 -0.05 0.00 0.66 0.00 0.00 57.16 57.78 2bkc n GLU 123 Cb 0.38 -1.51 -0.02 0.00 0.27 0.00 0.00 31.44 30.56 2bkc n GLU 123 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bkc n GLY 124 N 1.49 0.78 3.48 8.31 0.00 -0.41 -4.97 105.19 113.88 2bkc n GLY 124 Ca 0.07 -0.67 -0.44 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.81 6.91 0.25 1.61 3.68 -0.51 -4.85 116.67 120.95 2bkc s ASP 125 Ca 0.00 -2.62 -0.05 0.00 2.13 0.00 0.00 52.55 52.01 2bkc s ASP 125 Cb 0.00 -2.43 0.30 0.00 -1.45 0.00 0.00 42.92 39.33 2bkc s ASP 125 CO 0.00 -0.92 1.90 0.44 0.13 0.00 0.00 175.17 176.72 2bkc h ASP 126 N 7.75 1.05 -0.04 -0.34 3.32 -1.94 -2.44 116.42 123.79 2bkc h ASP 126 Ca 0.29 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 2bkc h ASP 126 Cb 0.92 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 2bkc h ASP 126 CO 1.25 0.73 0.01 0.58 -1.72 0.00 0.00 179.24 180.09 2bkc h VAL 127 N 1.23 1.19 -0.37 -1.35 2.07 -1.97 -2.62 116.25 114.42 2bkc h VAL 127 Ca 0.38 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2bkc h VAL 127 Cb -0.02 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2bkc h VAL 127 CO -0.11 0.15 0.15 0.74 0.02 0.00 0.00 177.57 178.51 2bkc h THR 128 N -0.15 1.19 -0.95 2.57 2.02 -1.94 -2.43 112.91 113.23 2bkc h THR 128 Ca 0.01 -0.59 0.17 0.00 0.77 0.00 0.00 66.41 66.78 2bkc h THR 128 Cb 0.23 0.89 -0.17 0.00 -1.74 0.00 0.00 68.15 67.36 2bkc h THR 128 CO 0.00 0.21 -0.31 -1.13 0.37 0.00 0.00 175.52 174.66 2bkc h ASN 129 N 0.45 -1.15 -0.53 4.18 -0.73 -1.53 -1.83 115.58 114.45 2bkc h ASN 129 Ca 0.12 0.29 -0.10 0.00 1.87 0.00 0.00 56.30 58.49 2bkc h ASN 129 Cb 0.19 0.66 -0.02 0.00 0.27 0.00 0.00 38.32 39.42 2bkc h ASN 129 CO -0.01 -0.30 -0.04 -0.78 -0.37 0.00 0.00 177.43 175.93 2bkc h ASP 130 N -0.01 0.96 -0.29 1.15 3.58 -1.18 -2.05 116.42 118.58 2bkc h ASP 130 Ca 0.39 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 2bkc h ASP 130 Cb 0.64 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2bkc h ASP 130 CO -0.96 1.06 0.14 -0.03 -2.88 0.00 0.00 179.24 176.56 2bkc h MET 131 N 0.84 0.42 -0.55 0.28 4.05 -1.24 -1.67 114.93 117.06 2bkc h MET 131 Ca 0.15 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.43 2bkc h MET 131 Cb 0.59 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 2bkc h MET 131 CO 0.04 0.41 0.04 -0.07 0.23 0.00 0.00 176.91 177.55 2bkc h LEU 132 N 0.33 0.88 -0.49 3.39 4.07 -1.27 -1.31 115.31 120.91 2bkc h LEU 132 Ca 0.10 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.85 2bkc h LEU 132 Cb 0.12 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 2bkc h LEU 132 CO -0.01 0.91 0.31 0.40 -1.08 0.00 0.00 178.44 178.97 2bkc h ILE 133 N 0.86 1.14 -0.75 1.22 2.04 -1.10 -1.23 117.51 119.68 2bkc h ILE 133 Ca 0.17 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 2bkc h ILE 133 Cb 0.45 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2bkc h ILE 133 CO 0.02 0.14 0.29 0.00 0.00 0.00 0.00 178.15 178.59 2bkc h ALA 134 N 1.16 1.09 -0.45 1.87 0.00 -0.58 -1.00 119.26 121.34 2bkc h ALA 134 Ca 0.18 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2bkc h ALA 134 Cb -0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2bkc h ALA 134 CO -0.04 0.64 -0.12 0.74 0.00 0.00 0.00 179.25 180.48 2bkc h PHE 135 N 1.09 0.91 -0.11 0.00 0.05 -1.17 -3.11 116.94 114.60 2bkc h PHE 135 Ca 0.25 -0.17 -0.14 0.00 3.82 0.00 0.00 57.97 61.73 2bkc h PHE 135 Cb 0.23 -0.23 -0.01 0.00 2.00 0.00 0.00 35.95 37.93 2bkc h PHE 135 CO 0.02 0.89 -0.54 -0.22 -0.18 0.00 0.00 178.31 178.29 2bkc h LYS 136 N 0.74 0.32 -0.36 1.51 3.64 -0.57 -1.80 116.57 120.05 2bkc h LYS 136 Ca 0.12 -0.19 0.08 0.00 -1.27 0.00 0.00 60.65 59.39 2bkc h LYS 136 Cb 0.62 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.38 2bkc h LYS 136 CO 0.04 0.78 -0.18 0.00 -2.27 0.00 0.00 179.45 177.81 2bkc h ALA 137 N 1.19 0.08 -0.31 5.00 0.00 -1.14 0.68 119.26 124.77 2bkc h ALA 137 Ca 0.01 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2bkc h ALA 137 Cb 1.02 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2bkc h ALA 137 CO 0.09 -0.56 -0.31 1.03 0.00 0.00 0.00 179.25 179.49 2bkc h SER 138 N -0.12 0.68 -0.11 0.00 0.87 -1.48 -2.64 113.55 110.74 2bkc h SER 138 Ca 0.18 -0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2bkc h SER 138 Cb 0.40 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2bkc h SER 138 CO -0.44 0.95 0.06 0.40 -0.53 0.00 0.00 176.83 177.26 2bkc h ILE 139 N 0.56 1.11 -0.93 2.23 2.04 -0.96 -1.03 117.51 120.52 2bkc h ILE 139 Ca 0.06 -0.32 0.15 0.00 1.00 0.00 0.00 64.86 65.75 2bkc h ILE 139 Cb 0.81 1.12 -0.09 0.00 -0.74 0.00 0.00 36.82 37.92 2bkc h ILE 139 CO 0.07 0.10 0.54 0.44 0.00 0.00 0.00 178.15 179.30 2bkc h ASP 140 N 0.06 0.72 -0.35 1.72 3.32 -0.80 -0.67 116.42 120.43 2bkc h ASP 140 Ca 0.04 0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 2bkc h ASP 140 Cb 0.11 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2bkc h ASP 140 CO -0.01 0.32 -0.16 0.11 -1.72 0.00 0.00 179.24 177.78 2bkc h LYS 141 N 0.78 0.73 -0.55 3.56 1.57 -1.15 -2.27 116.57 119.23 2bkc h LYS 141 Ca 0.50 -0.32 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 2bkc h LYS 141 Cb 0.66 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 2bkc h LYS 141 CO -0.33 0.92 -0.04 0.45 -0.57 0.00 0.00 179.45 179.87 2bkc h HIS 142 N 0.51 1.08 -0.51 -1.35 3.86 -0.76 -0.38 115.15 117.60 2bkc h HIS 142 Ca 0.08 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 2bkc h HIS 142 Cb 0.70 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 2bkc h HIS 142 CO 0.06 0.98 0.29 0.82 0.86 0.00 0.00 177.93 180.94 2bkc h ILE 143 N 0.89 1.16 -0.05 2.45 2.04 -1.05 -1.06 117.51 121.90 2bkc h ILE 143 Ca 0.15 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2bkc h ILE 143 Cb 0.58 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 2bkc h ILE 143 CO 0.04 0.17 0.01 -0.25 0.00 0.00 0.00 178.15 178.11 2bkc h TRP 144 N 0.68 0.08 -0.52 1.37 7.01 -1.19 -1.69 115.95 121.68 2bkc h TRP 144 Ca 0.18 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.13 2bkc h TRP 144 Cb 0.02 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 2bkc h TRP 144 CO -0.02 0.31 0.18 0.52 -2.79 0.00 0.00 178.44 176.63 2bkc h MET 145 N -0.17 0.80 -0.06 2.65 2.86 -0.94 0.68 114.93 120.77 2bkc h MET 145 Ca 0.01 -0.17 -0.17 0.00 -2.06 0.00 0.00 59.70 57.32 2bkc h MET 145 Cb 0.27 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2bkc h MET 145 CO 0.00 0.73 -0.72 0.74 1.06 0.00 0.00 176.91 178.73 2bkc h PHE 146 N 0.71 0.39 -0.36 -0.22 0.05 -1.26 -1.49 116.94 114.76 2bkc h PHE 146 Ca 0.17 -0.18 -0.13 0.00 3.82 0.00 0.00 57.97 61.65 2bkc h PHE 146 Cb 0.25 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 38.13 2bkc h PHE 146 CO 0.01 0.91 -0.30 0.87 -0.18 0.00 0.00 178.31 179.62 2bkc h LYS 147 N 0.20 0.78 -0.94 1.51 1.57 -1.21 -2.42 116.57 116.06 2bkc h LYS 147 Ca -0.02 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2bkc h LYS 147 Cb 1.28 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.53 2bkc h LYS 147 CO 0.12 0.98 0.57 0.00 -0.57 0.00 0.00 179.45 180.54 2bkc h ALA 148 N 1.00 1.23 -0.55 3.86 0.00 -0.66 0.10 119.26 124.25 2bkc h ALA 148 Ca 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2bkc h ALA 148 Cb 0.83 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2bkc h ALA 148 CO 0.07 0.66 0.30 0.35 0.00 0.00 0.00 179.25 180.63 2bkc h PHE 149 N 1.29 0.73 -0.00 0.00 3.57 -1.10 -1.37 116.94 120.06 2bkc h PHE 149 Ca 0.34 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.83 2bkc h PHE 149 Cb -0.06 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.44 2bkc h PHE 149 CO 0.01 0.51 -0.13 1.28 -2.23 0.00 0.00 178.31 177.74 2bkc n LEU 150 N -4.40 0.59 0.00 0.59 4.77 -0.83 -4.94 117.00 112.78 2bkc n LEU 150 Ca 0.05 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2bkc n LEU 150 Cb 0.10 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2bkc n LEU 150 CO 0.37 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2bkc n GLY 151 N 1.29 0.55 3.68 -0.72 0.00 -0.38 -5.07 105.19 104.53 2bkc n GLY 151 Ca 0.14 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.42 2.56 0.61 1.61 1.02 0.22 -4.99 119.74 119.35 2bkc s LYS 152 Ca 0.00 -0.81 -0.16 0.00 0.02 0.00 0.00 55.97 55.02 2bkc s LYS 152 Cb 0.00 -2.54 -0.03 0.00 -0.52 0.00 0.00 37.83 34.74 2bkc s LYS 152 CO 0.00 0.55 1.08 0.00 -0.92 0.00 0.00 175.35 176.06 2bkc s ALA 153 N -1.27 2.67 0.54 5.17 0.00 -1.26 -3.20 121.76 124.42 2bkc s ALA 153 Ca 0.24 0.47 0.25 0.00 0.00 0.00 0.00 51.96 52.92 2bkc s ALA 153 Cb -0.12 -3.26 1.42 0.00 0.00 0.00 0.00 23.12 21.16 2bkc s ALA 153 CO 0.17 -0.92 2.03 -1.35 0.00 0.00 0.00 175.76 175.69 2bkc h PRO 154 N 0.40 0.00 0.00 0.00 0.11 -1.91 -2.99 132.00 127.61 2bkc h PRO 154 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2bkc h PRO 154 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2bkc h PRO 154 CO 0.56 0.00 -0.03 1.28 -0.21 0.00 0.00 178.00 179.61 2bkc n LEU 155 N -4.28 1.69 -0.90 2.35 4.77 -1.26 -4.86 117.00 114.51 2bkc n LEU 155 Ca 0.06 -1.90 0.12 0.00 -0.03 0.00 0.00 56.01 54.27 2bkc n LEU 155 Cb 0.48 -0.09 0.15 0.00 -2.33 0.00 0.00 43.42 41.63 2bkc n LEU 155 CO 0.34 0.46 0.66 -1.84 -1.33 0.00 0.00 177.39 175.69