#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkc n ASP 8 N 0.00 0.79 -0.32 4.52 5.75 -1.26 -4.83 116.55 121.20 2bkc n ASP 8 Ca 0.00 -1.82 0.04 0.00 -0.01 0.00 0.00 54.79 53.00 2bkc n ASP 8 Cb 0.00 -0.75 0.18 0.00 -1.03 0.00 0.00 41.12 39.52 2bkc n ASP 8 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2bkc h THR 9 N -1.06 0.96 -0.50 2.12 2.02 -1.98 -0.90 112.91 113.58 2bkc h THR 9 Ca -0.35 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 2bkc h THR 9 Cb 1.13 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2bkc h THR 9 CO 0.31 0.17 0.23 0.11 0.37 0.00 0.00 175.52 176.71 2bkc h LYS 10 N 0.92 0.73 0.00 6.66 1.57 -1.96 -1.10 116.57 123.38 2bkc h LYS 10 Ca 0.42 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.99 2bkc h LYS 10 Cb 0.34 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2bkc h LYS 10 CO -0.23 0.62 -0.48 0.93 -0.57 0.00 0.00 179.45 179.73 2bkc h GLU 11 N 0.66 0.00 -0.21 3.15 5.08 -1.79 -1.44 114.58 120.03 2bkc h GLU 11 Ca 0.17 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.36 2bkc h GLU 11 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2bkc h GLU 11 CO -0.02 0.48 -0.53 0.35 -1.00 0.00 0.00 179.01 178.29 2bkc h PHE 12 N 0.00 0.94 -0.29 4.33 3.57 -0.87 -1.57 116.94 123.04 2bkc h PHE 12 Ca -0.00 -0.36 -0.12 0.00 3.53 0.00 0.00 57.97 61.02 2bkc h PHE 12 Cb 1.21 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 2bkc h PHE 12 CO 0.00 1.16 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.90 2bkc h LEU 13 N 0.45 0.75 -0.77 0.59 4.07 -1.00 -2.11 115.31 117.29 2bkc h LEU 13 Ca -0.01 -0.46 -0.09 0.00 0.08 0.00 0.00 57.88 57.40 2bkc h LEU 13 Cb 1.14 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.65 2bkc h LEU 13 CO 0.11 1.05 -0.05 -1.13 -1.08 0.00 0.00 178.44 177.35 2bkc h ASN 14 N 0.45 0.87 -0.55 -0.43 -0.73 -1.33 0.78 115.58 114.63 2bkc h ASN 14 Ca 0.05 -0.25 0.09 0.00 1.87 0.00 0.00 56.30 58.07 2bkc h ASN 14 Cb 0.83 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 39.16 2bkc h ASN 14 CO 0.07 0.96 0.37 -0.74 -0.37 0.00 0.00 177.43 177.72 2bkc h HIS 15 N 0.81 0.38 0.00 0.67 2.76 -1.07 -2.39 115.15 116.31 2bkc h HIS 15 Ca 0.14 0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.17 2bkc h HIS 15 Cb 0.55 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.37 2bkc h HIS 15 CO 0.03 0.18 -0.85 1.96 -1.30 0.00 0.00 177.93 177.95 2bkc h GLN 16 N 0.36 0.00 -0.24 5.26 1.08 -0.18 -2.47 115.11 118.92 2bkc h GLN 16 Ca 0.25 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.51 2bkc h GLN 16 Cb 0.53 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.91 2bkc h GLN 16 CO -0.06 0.59 -0.12 0.28 -0.95 0.00 0.00 178.83 178.57 2bkc h VAL 17 N 0.00 0.63 0.11 -0.54 2.07 -0.84 -0.40 116.25 117.29 2bkc h VAL 17 Ca -0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.49 2bkc h VAL 17 Cb 1.55 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 2bkc h VAL 17 CO 0.08 0.00 -0.52 0.00 0.02 0.00 0.00 177.57 177.15 2bkc h ALA 18 N 1.11 -0.96 -0.75 1.67 0.00 -1.42 -2.31 119.26 116.61 2bkc h ALA 18 Ca 0.13 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.05 2bkc h ALA 18 Cb 0.28 0.88 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 2bkc h ALA 18 CO -0.29 -1.11 0.35 -0.91 0.00 0.00 0.00 179.25 177.29 2bkc h ASN 19 N -0.74 0.42 0.07 0.00 2.35 -1.24 -2.44 115.58 114.00 2bkc h ASN 19 Ca 0.00 0.08 -0.24 0.00 -0.55 0.00 0.00 56.30 55.59 2bkc h ASN 19 Cb 0.75 0.02 0.01 0.00 0.05 0.00 0.00 38.32 39.15 2bkc h ASN 19 CO -0.29 0.21 -0.94 -0.07 -1.65 0.00 0.00 177.43 174.69 2bkc h LEU 20 N 0.56 0.80 -1.67 1.61 4.07 -0.96 0.23 115.31 119.94 2bkc h LEU 20 Ca 0.39 -0.60 -0.04 0.00 0.08 0.00 0.00 57.88 57.71 2bkc h LEU 20 Cb 0.50 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 2bkc h LEU 20 CO -0.33 1.40 -0.19 0.78 -1.08 0.00 0.00 178.44 179.02 2bkc h ASN 21 N 0.38 0.00 0.16 -0.43 2.35 -1.18 -0.35 115.58 116.51 2bkc h ASN 21 Ca -0.09 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.34 2bkc h ASN 21 Cb 1.58 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.98 2bkc h ASN 21 CO 0.18 0.19 -1.32 0.58 -1.65 0.00 0.00 177.43 175.41 2bkc h VAL 22 N 0.00 1.28 -0.50 2.81 2.07 -1.10 -3.20 116.25 117.61 2bkc h VAL 22 Ca -0.00 -2.53 -0.06 0.00 0.82 0.00 0.00 66.70 64.93 2bkc h VAL 22 Cb 0.43 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 2bkc h VAL 22 CO 0.02 0.77 0.06 0.15 0.02 0.00 0.00 177.57 178.59 2bkc h PHE 23 N 0.24 0.82 0.04 1.57 3.57 -0.62 -1.18 116.94 121.38 2bkc h PHE 23 Ca -0.21 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.20 2bkc h PHE 23 Cb 2.00 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.50 2bkc h PHE 23 CO 0.12 0.73 -0.02 1.15 -2.23 0.00 0.00 178.31 178.06 2bkc h THR 24 N 0.75 1.05 -0.71 4.41 2.02 -1.18 -0.09 112.91 119.17 2bkc h THR 24 Ca 0.16 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 2bkc h THR 24 Cb 0.36 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 2bkc h THR 24 CO 0.01 0.08 0.40 0.58 0.37 0.00 0.00 175.52 176.95 2bkc h VAL 25 N -0.18 1.21 -0.18 3.16 2.07 -1.52 -2.12 116.25 118.68 2bkc h VAL 25 Ca -0.01 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 2bkc h VAL 25 Cb 0.17 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2bkc h VAL 25 CO 0.01 0.23 -0.16 0.50 0.02 0.00 0.00 177.57 178.17 2bkc h LYS 26 N 0.98 0.31 -0.39 1.57 3.64 -0.84 -0.71 116.57 121.13 2bkc h LYS 26 Ca 0.25 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2bkc h LYS 26 Cb 0.00 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2bkc h LYS 26 CO -0.04 0.47 0.05 0.82 -2.27 0.00 0.00 179.45 178.48 2bkc h ILE 27 N 0.29 1.24 -0.71 2.00 2.04 -0.34 -1.92 117.51 120.11 2bkc h ILE 27 Ca 0.05 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 65.10 2bkc h ILE 27 Cb 0.46 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 2bkc h ILE 27 CO 0.03 0.30 0.40 0.45 0.00 0.00 0.00 178.15 179.33 2bkc h HIS 28 N 0.49 0.73 -0.39 1.37 3.86 -1.24 -1.29 115.15 118.68 2bkc h HIS 28 Ca 0.12 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.43 2bkc h HIS 28 Cb 0.38 -0.22 -0.07 0.00 1.06 0.00 0.00 27.41 28.55 2bkc h HIS 28 CO 0.03 0.34 -0.10 0.37 0.86 0.00 0.00 177.93 179.42 2bkc h GLN 29 N 0.72 -0.01 -0.42 2.45 4.15 -0.75 -0.20 115.11 121.05 2bkc h GLN 29 Ca 0.33 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.62 2bkc h GLN 29 Cb 0.23 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2bkc h GLN 29 CO -0.20 -0.00 -0.22 0.82 -1.93 0.00 0.00 178.83 177.29 2bkc h ILE 30 N -0.01 1.27 -0.27 2.39 2.04 -0.90 -2.41 117.51 119.63 2bkc h ILE 30 Ca 0.19 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 2bkc h ILE 30 Cb 0.29 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2bkc h ILE 30 CO -0.40 0.46 0.12 -0.74 0.00 0.00 0.00 178.15 177.59 2bkc h HIS 31 N 0.74 0.41 -0.55 1.37 2.76 -0.87 -2.13 115.15 116.88 2bkc h HIS 31 Ca 0.10 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 2bkc h HIS 31 Cb 0.76 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 2bkc h HIS 31 CO 0.04 0.40 0.02 -1.49 -1.30 0.00 0.00 177.93 175.60 2bkc h TRP 32 N 0.30 1.04 -0.01 5.26 6.55 -0.98 -3.29 115.95 124.82 2bkc h TRP 32 Ca 0.09 -0.17 0.00 0.00 0.95 0.00 0.00 58.89 59.76 2bkc h TRP 32 Cb 0.15 -0.27 0.00 0.00 -0.86 0.00 0.00 29.16 28.18 2bkc h TRP 32 CO -0.01 0.94 -0.64 0.66 -1.05 0.00 0.00 178.44 178.34 2bkc n TYR 33 N -4.28 0.00 -1.90 0.49 4.02 -0.91 -4.98 117.16 109.60 2bkc n TYR 33 Ca 0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.50 2bkc n TYR 33 Cb 0.32 -0.06 -0.00 0.00 -0.02 0.00 0.00 39.34 39.57 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 -2.76 4.09 0.05 -0.72 0.23 -0.80 -4.98 119.30 114.41 2bkc s MET 34 Ca 0.14 2.42 0.00 0.00 -1.03 0.00 0.00 55.69 57.23 2bkc s MET 34 Cb 0.17 -2.93 -0.03 0.00 -1.53 0.00 0.00 34.83 30.51 2bkc s MET 34 CO 0.69 -0.49 -0.04 1.03 -2.03 0.00 0.00 175.02 174.18 2bkc s ARG 35 N -2.09 0.57 0.00 3.16 0.52 -1.26 -4.99 118.95 114.86 2bkc s ARG 35 Ca 0.53 -1.04 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 2bkc s ARG 35 Cb -0.44 0.06 0.00 0.00 0.52 0.00 0.00 34.95 35.09 2bkc s ARG 35 CO 0.58 -0.06 0.00 0.41 0.02 0.00 0.00 175.30 176.25 2bkc n GLY 36 N 0.59 1.79 0.34 -3.53 0.00 -1.26 -4.28 105.19 98.84 2bkc n GLY 36 Ca -0.17 -2.16 0.21 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.63 1.61 3.86 -2.06 -2.22 115.15 115.71 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 -3.03 3.38 -0.21 2.45 4.13 -1.26 -4.64 115.26 116.07 2bkc n ASN 38 Ca -0.03 -2.00 0.00 0.00 1.68 0.00 0.00 54.58 54.23 2bkc n ASN 38 Cb 0.14 -0.42 0.08 0.00 -1.54 0.00 0.00 39.78 38.04 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 3.68 -0.20 -0.08 3.10 3.57 -1.72 -0.99 116.94 124.31 2bkc h PHE 39 Ca 0.00 0.05 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 2bkc h PHE 39 Cb 0.85 0.19 0.01 0.00 2.79 0.00 0.00 35.95 39.78 2bkc h PHE 39 CO 0.42 -0.23 -0.49 0.74 -2.23 0.00 0.00 178.31 176.52 2bkc h PHE 40 N 0.05 0.64 0.05 0.41 -1.00 -1.87 0.07 116.94 115.29 2bkc h PHE 40 Ca 0.32 -0.29 -0.22 0.00 2.81 0.00 0.00 57.97 60.58 2bkc h PHE 40 Cb 0.51 -0.09 0.02 0.00 3.61 0.00 0.00 35.95 40.00 2bkc h PHE 40 CO -0.45 1.07 -0.90 1.79 -1.61 0.00 0.00 178.31 178.21 2bkc h THR 41 N 0.03 1.37 0.00 -1.55 1.35 -1.85 -2.55 112.91 109.70 2bkc h THR 41 Ca -0.04 -2.27 -0.07 0.00 -0.55 0.00 0.00 66.41 63.48 2bkc h THR 41 Cb 1.15 2.65 -0.01 0.00 -1.73 0.00 0.00 68.15 70.21 2bkc h THR 41 CO 0.10 0.68 -0.32 -0.07 -0.25 0.00 0.00 175.52 175.66 2bkc h LEU 42 N 0.07 0.00 -0.42 3.87 4.07 -1.29 -2.42 115.31 119.21 2bkc h LEU 42 Ca -0.13 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.81 2bkc h LEU 42 Cb 1.60 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.32 2bkc h LEU 42 CO 0.17 0.32 0.16 1.23 -1.08 0.00 0.00 178.44 179.25 2bkc h GLY 43 N 0.97 0.67 2.00 0.83 0.00 -0.89 -1.51 103.07 105.14 2bkc h GLY 43 Ca -0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.83 2bkc h GLY 43 CO 0.04 0.35 -0.60 0.83 0.00 0.00 0.00 176.54 177.16 2bkc h GLU 44 N 0.53 0.00 -0.11 4.80 5.08 -1.34 -2.39 114.58 121.15 2bkc h GLU 44 Ca 0.14 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 2bkc h GLU 44 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2bkc h GLU 44 CO -0.01 0.60 -0.50 -0.22 -1.00 0.00 0.00 179.01 177.88 2bkc h LYS 45 N 0.00 0.29 -0.33 2.33 1.63 -1.30 -2.53 116.57 116.66 2bkc h LYS 45 Ca -0.01 -0.17 -0.16 0.00 -0.85 0.00 0.00 60.65 59.46 2bkc h LYS 45 Cb 1.09 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.73 2bkc h LYS 45 CO 0.08 0.73 -0.43 0.52 -3.45 0.00 0.00 179.45 176.90 2bkc h MET 46 N 0.23 0.88 -0.35 1.90 2.86 -1.06 -1.54 114.93 117.85 2bkc h MET 46 Ca 0.01 -0.50 0.06 0.00 -2.06 0.00 0.00 59.70 57.21 2bkc h MET 46 Cb 0.97 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.61 2bkc h MET 46 CO 0.08 1.14 -0.00 -0.44 1.06 0.00 0.00 176.91 178.75 2bkc h ASP 47 N 0.67 -0.14 -0.93 1.22 3.32 -1.37 -0.01 116.42 119.18 2bkc h ASP 47 Ca 0.04 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2bkc h ASP 47 Cb 1.03 0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.68 2bkc h ASP 47 CO 0.10 -0.04 0.60 0.44 -1.72 0.00 0.00 179.24 178.62 2bkc h ASP 48 N 0.10 1.09 -0.26 6.45 3.32 -1.37 -2.76 116.42 122.97 2bkc h ASP 48 Ca 0.17 -0.04 -0.19 0.00 0.02 0.00 0.00 57.03 56.99 2bkc h ASP 48 Cb 0.23 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2bkc h ASP 48 CO -0.28 0.80 -0.56 0.25 -1.72 0.00 0.00 179.24 177.73 2bkc h LEU 49 N 1.27 0.95 -0.31 1.55 5.85 -0.91 -0.53 115.31 123.18 2bkc h LEU 49 Ca 0.34 -0.55 0.05 0.00 0.84 0.00 0.00 57.88 58.56 2bkc h LEU 49 Cb -0.11 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.59 2bkc h LEU 49 CO -0.07 1.32 0.01 0.22 -0.34 0.00 0.00 178.44 179.58 2bkc h TYR 50 N 0.62 -0.00 -0.48 1.25 5.03 -0.95 -0.69 116.97 121.74 2bkc h TYR 50 Ca 0.00 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.25 2bkc h TYR 50 Cb 1.17 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 39.48 2bkc h TYR 50 CO 0.08 -0.05 -0.05 0.77 -1.32 0.00 0.00 178.16 177.59 2bkc h SER 51 N 0.10 0.83 -0.09 -2.11 0.02 -1.41 -1.97 113.55 108.91 2bkc h SER 51 Ca 0.15 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2bkc h SER 51 Cb 0.19 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 2bkc h SER 51 CO -0.24 0.92 -0.10 -0.08 -1.14 0.00 0.00 176.83 176.19 2bkc h GLU 52 N 0.77 0.23 0.00 3.45 4.81 -0.50 -2.25 114.58 121.10 2bkc h GLU 52 Ca 0.14 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 2bkc h GLU 52 Cb 0.54 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2bkc h GLU 52 CO 0.03 0.66 -0.36 0.74 -0.73 0.00 0.00 179.01 179.35 2bkc h PHE 53 N -0.19 0.00 -0.22 0.92 -1.00 -1.21 -2.11 116.94 113.12 2bkc h PHE 53 Ca 0.01 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.70 2bkc h PHE 53 Cb 0.62 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.17 2bkc h PHE 53 CO 0.09 0.36 -0.28 0.78 -1.61 0.00 0.00 178.31 177.66 2bkc h GLY 54 N 2.05 0.47 1.39 -1.45 0.00 -1.33 -0.71 103.07 103.49 2bkc h GLY 54 Ca -0.00 -0.39 -0.19 0.00 0.00 0.00 0.00 47.33 46.75 2bkc h GLY 54 CO 0.05 0.35 -0.67 0.83 0.00 0.00 0.00 176.54 177.10 2bkc h GLU 55 N 0.38 0.61 -0.56 4.80 4.39 -1.07 -1.63 114.58 121.51 2bkc h GLU 55 Ca 0.05 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.31 2bkc h GLU 55 Cb 0.68 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 2bkc h GLU 55 CO 0.05 1.07 0.37 0.37 -1.16 0.00 0.00 179.01 179.71 2bkc h GLN 56 N 0.44 0.74 0.08 2.33 4.15 -1.16 -0.42 115.11 121.27 2bkc h GLN 56 Ca -0.02 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 2bkc h GLN 56 Cb 1.25 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.78 2bkc h GLN 56 CO 0.13 0.49 -0.04 1.98 -1.93 0.00 0.00 178.83 179.46 2bkc h MET 57 N 0.75 -0.10 -0.97 1.69 4.05 -1.04 0.15 114.93 119.46 2bkc h MET 57 Ca 0.20 0.01 0.16 0.00 -0.28 0.00 0.00 59.70 59.79 2bkc h MET 57 Cb -0.08 0.02 -0.09 0.00 -0.80 0.00 0.00 31.60 30.65 2bkc h MET 57 CO -0.04 -0.06 0.61 -0.44 0.23 0.00 0.00 176.91 177.21 2bkc h ASP 58 N -0.12 0.76 0.41 1.39 3.45 -1.04 -0.09 116.42 121.18 2bkc h ASP 58 Ca -0.01 0.06 -0.23 0.00 0.43 0.00 0.00 57.03 57.28 2bkc h ASP 58 Cb 0.09 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 2bkc h ASP 58 CO 0.02 0.34 -1.00 -0.33 -1.57 0.00 0.00 179.24 176.70 2bkc h GLU 59 N 0.78 0.37 -0.08 3.56 5.08 -0.18 -1.79 114.58 122.32 2bkc h GLU 59 Ca 0.52 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2bkc h GLU 59 Cb 0.77 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 2bkc h GLU 59 CO -0.29 1.12 0.00 0.28 -1.00 0.00 0.00 179.01 179.13 2bkc h VAL 60 N 0.19 1.24 -0.38 3.13 2.07 -0.26 0.17 116.25 122.41 2bkc h VAL 60 Ca -0.09 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.72 2bkc h VAL 60 Cb 1.65 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.97 2bkc h VAL 60 CO 0.17 0.21 0.14 0.00 0.02 0.00 0.00 177.57 178.11 2bkc h ALA 61 N 0.74 0.44 -0.24 1.67 0.00 -1.06 0.24 119.26 121.06 2bkc h ALA 61 Ca 0.02 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2bkc h ALA 61 Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2bkc h ALA 61 CO 0.00 -0.25 -0.39 0.93 0.00 0.00 0.00 179.25 179.54 2bkc h GLU 62 N 0.30 0.55 -0.15 0.00 5.08 -1.29 -1.14 114.58 117.92 2bkc h GLU 62 Ca 0.17 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2bkc h GLU 62 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2bkc h GLU 62 CO -0.17 0.85 0.08 -0.09 -1.00 0.00 0.00 179.01 178.68 2bkc h ARG 63 N 0.45 0.22 -0.93 2.33 9.65 -0.21 -1.48 114.38 124.41 2bkc h ARG 63 Ca 0.04 -0.03 0.13 0.00 -1.10 0.00 0.00 59.98 59.03 2bkc h ARG 63 Cb 0.88 -0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 29.33 2bkc h ARG 63 CO 0.08 0.24 0.55 1.25 2.80 0.00 0.00 179.97 184.88 2bkc h LEU 64 N 0.14 0.75 -0.58 3.80 5.85 -0.33 -0.76 115.31 124.18 2bkc h LEU 64 Ca 0.05 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 2bkc h LEU 64 Cb 0.09 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2bkc h LEU 64 CO -0.01 0.37 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.07 2bkc h LEU 65 N 0.82 0.82 -0.95 2.25 4.07 -1.09 -0.57 115.31 120.67 2bkc h LEU 65 Ca 0.48 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 58.10 2bkc h LEU 65 Cb 0.57 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.08 2bkc h LEU 65 CO -0.30 1.07 0.00 0.00 -1.08 0.00 0.00 178.44 178.13 2bkc h ALA 66 N 0.97 1.00 -0.53 1.53 0.00 -0.05 -2.19 119.26 119.99 2bkc h ALA 66 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2bkc h ALA 66 Cb 0.86 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2bkc h ALA 66 CO 0.08 0.00 0.09 0.44 0.00 0.00 0.00 179.25 179.86 2bkc n ILE 67 N -2.90 2.69 -0.59 0.00 -5.35 -0.95 -4.96 119.36 107.30 2bkc n ILE 67 Ca 0.02 -1.72 0.00 0.00 -0.27 0.00 0.00 62.75 60.78 2bkc n ILE 67 Cb 0.35 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 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 -0.09 0.72 2.34 3.28 0.00 -0.82 -5.05 105.19 105.57 2bkc n GLY 68 Ca 0.31 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.17 2bkc n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bkc n GLY 69 N -2.48 -0.42 2.76 -0.02 0.00 -0.23 -4.99 105.19 99.81 2bkc n GLY 69 Ca 0.00 -1.83 -0.28 0.00 0.00 0.00 0.00 46.02 43.90 2bkc n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bkc s SER 70 N -3.72 3.19 0.26 1.61 0.01 -1.26 -4.49 113.70 109.31 2bkc s SER 70 Ca 0.43 -0.98 -0.29 0.00 1.31 0.00 0.00 55.95 56.41 2bkc s SER 70 Cb -0.02 -0.71 -0.09 0.00 0.21 0.00 0.00 66.02 65.41 2bkc s SER 70 CO 0.29 -0.31 1.23 -2.16 0.41 0.00 0.00 173.24 172.70 2bkc s PRO 71 N 1.77 4.47 0.18 12.44 0.04 -1.26 -4.99 135.00 147.64 2bkc s PRO 71 Ca -0.00 2.01 -0.33 0.00 0.04 0.00 0.00 61.00 62.71 2bkc s PRO 71 Cb -0.17 -3.16 -0.15 0.00 0.04 0.00 0.00 34.50 31.06 2bkc s PRO 71 CO -0.10 -0.07 1.38 1.19 0.04 0.00 0.00 177.00 179.44 2bkc n PHE 72 N 1.59 1.89 -1.96 0.56 0.99 -1.26 -4.90 117.46 114.37 2bkc n PHE 72 Ca 0.02 0.48 0.04 0.00 -0.00 0.00 0.00 57.45 57.99 2bkc n PHE 72 Cb 0.43 -2.42 0.07 0.00 -1.00 0.00 0.00 39.48 36.57 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 2.49 1.07 -3.80 4.37 3.41 -1.26 -4.94 113.62 114.97 2bkc n SER 73 Ca 0.15 -2.55 -0.10 0.00 -0.26 0.00 0.00 58.87 56.10 2bkc n SER 73 Cb 0.27 -0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.09 0.10 0.20 6.66 -4.23 -1.26 -5.05 115.64 110.98 2bkc s THR 74 Ca 0.25 -0.86 -0.09 0.00 -1.18 0.00 0.00 61.69 59.81 2bkc s THR 74 Cb 0.26 -1.04 0.15 0.00 1.34 0.00 0.00 72.50 73.21 2bkc s THR 74 CO -0.07 -0.47 1.80 -0.07 -0.54 0.00 0.00 174.62 175.27 2bkc h LEU 75 N 3.13 0.98 -0.28 4.79 4.07 -2.00 -2.18 115.31 123.82 2bkc h LEU 75 Ca -0.33 -0.12 0.07 0.00 0.08 0.00 0.00 57.88 57.58 2bkc h LEU 75 Cb 1.20 -0.25 -0.07 0.00 1.08 0.00 0.00 40.66 42.62 2bkc h LEU 75 CO 0.49 0.83 -0.20 0.50 -1.08 0.00 0.00 178.44 178.98 2bkc h LYS 76 N 1.06 -0.17 -0.76 1.13 3.64 -2.00 -1.01 116.57 118.47 2bkc h LYS 76 Ca 0.26 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.66 2bkc h LYS 76 Cb 0.10 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 2bkc h LYS 76 CO -0.04 -0.11 0.50 0.93 -2.27 0.00 0.00 179.45 178.46 2bkc h GLU 77 N -0.18 0.98 -0.29 1.90 5.08 -1.92 -1.68 114.58 118.47 2bkc h GLU 77 Ca 0.15 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2bkc h GLU 77 Cb 0.41 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2bkc h GLU 77 CO -0.39 0.65 0.01 0.74 -1.00 0.00 0.00 179.01 179.02 2bkc h PHE 78 N 1.01 0.55 -0.70 4.33 0.05 -0.58 -2.66 116.94 118.96 2bkc h PHE 78 Ca 0.28 -0.09 -0.07 0.00 3.82 0.00 0.00 57.97 61.91 2bkc h PHE 78 Cb -0.10 -0.15 -0.03 0.00 2.00 0.00 0.00 35.95 37.68 2bkc h PHE 78 CO -0.00 0.64 0.15 -0.07 -0.18 0.00 0.00 178.31 178.86 2bkc h LEU 79 N 0.31 1.07 -2.36 1.54 3.38 -1.19 0.13 115.31 118.20 2bkc h LEU 79 Ca 0.08 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2bkc h LEU 79 Cb 0.41 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2bkc h LEU 79 CO 0.01 1.04 -0.01 -0.33 0.09 0.00 0.00 178.44 179.24 2bkc h GLU 80 N 1.06 0.00 0.00 1.13 5.08 -1.12 -3.28 114.58 117.45 2bkc h GLU 80 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2bkc h GLU 80 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2bkc h GLU 80 CO 0.01 0.01 -0.95 0.09 -1.00 0.00 0.00 179.01 177.17 2bkc n ASN 81 N -3.16 4.75 -4.76 1.42 4.13 -1.02 -5.06 115.26 111.57 2bkc n ASN 81 Ca -0.02 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.84 2bkc n ASN 81 Cb 0.17 0.83 -0.04 0.00 -1.54 0.00 0.00 39.78 39.19 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 -1.91 3.41 -0.33 5.41 0.00 0.44 -4.91 121.76 123.86 2bkc s ALA 82 Ca 0.00 0.89 0.23 0.00 0.00 0.00 0.00 51.96 53.08 2bkc s ALA 82 Cb 0.00 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.82 2bkc s ALA 82 CO 0.00 -0.16 1.03 -1.13 0.00 0.00 0.00 175.76 175.50 2bkc n SER 83 N 1.25 0.71 -4.71 0.00 3.41 -1.26 -4.89 113.62 108.13 2bkc n SER 83 Ca -0.01 0.18 -0.42 0.00 -0.26 0.00 0.00 58.87 58.36 2bkc n SER 83 Cb 0.45 0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 64.97 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 -3.32 3.35 0.15 -3.33 1.01 -1.26 -5.00 120.40 111.99 2bkc s VAL 84 Ca 0.00 0.95 -0.05 0.00 0.00 0.00 0.00 61.98 62.89 2bkc s VAL 84 Cb 0.11 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 2bkc s VAL 84 CO 0.79 0.07 0.39 -1.61 0.00 0.00 0.00 175.10 174.74 2bkc s GLU 85 N 1.24 3.62 0.04 2.72 2.02 -1.26 -5.00 118.70 122.08 2bkc s GLU 85 Ca 0.65 -0.09 0.01 0.00 0.02 0.00 0.00 54.97 55.56 2bkc s GLU 85 Cb -0.36 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.01 2bkc s GLU 85 CO 0.30 0.45 -0.05 -1.83 0.02 0.00 0.00 175.26 174.15 2bkc s GLU 86 N -2.74 0.51 -0.09 1.61 -1.05 -1.26 -5.03 118.70 110.66 2bkc s GLU 86 Ca 0.41 -0.89 -0.09 0.00 -0.15 0.00 0.00 54.97 54.26 2bkc s GLU 86 Cb -0.12 -0.04 0.02 0.00 -0.44 0.00 0.00 34.13 33.56 2bkc s GLU 86 CO 0.25 -0.03 0.25 0.00 0.95 0.00 0.00 175.26 176.68 2bkc s ALA 87 N -2.25 -0.63 0.73 -0.84 0.00 -1.26 -5.15 121.76 112.36 2bkc s ALA 87 Ca -0.05 0.68 -0.16 0.00 0.00 0.00 0.00 51.96 52.43 2bkc s ALA 87 Cb -0.04 -0.39 0.04 0.00 0.00 0.00 0.00 23.12 22.73 2bkc s ALA 87 CO -0.03 -0.13 1.25 -0.35 0.00 0.00 0.00 175.76 176.50 2bkc n PRO 88 N 2.85 0.64 -2.91 0.00 -0.04 -1.26 -4.93 135.00 129.35 2bkc n PRO 88 Ca -0.13 0.29 -0.41 0.00 -0.04 0.00 0.00 63.50 63.20 2bkc n PRO 88 Cb 0.58 -2.48 -0.04 0.00 -0.04 0.00 0.00 33.50 31.52 2bkc n PRO 88 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2bkc s TYR 89 N -1.76 3.43 0.09 0.54 5.04 -1.26 -4.84 117.35 118.58 2bkc s TYR 89 Ca 0.78 1.24 0.00 0.00 -2.44 0.00 0.00 57.07 56.65 2bkc s TYR 89 Cb -0.34 -2.99 0.00 0.00 0.35 0.00 0.00 41.96 38.98 2bkc s TYR 89 CO 0.46 -0.22 0.00 0.25 -1.34 0.00 0.00 175.55 174.70 2bkc n THR 90 N 4.68 0.05 -2.09 4.34 -2.24 -1.26 -5.09 114.28 112.67 2bkc n THR 90 Ca 0.04 0.02 -0.37 0.00 -2.27 0.00 0.00 64.05 61.47 2bkc n THR 90 Cb 0.49 -0.30 0.01 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.32 3.38 -0.17 -0.78 2.20 -1.26 -4.97 119.74 116.82 2bkc s LYS 91 Ca 0.00 1.87 -0.29 0.00 -0.36 0.00 0.00 55.97 57.19 2bkc s LYS 91 Cb 0.00 -2.21 -0.01 0.00 -1.51 0.00 0.00 37.83 34.10 2bkc s LYS 91 CO 0.00 -0.89 1.16 -1.25 -0.36 0.00 0.00 175.35 174.01 2bkc s PRO 92 N -2.97 4.27 -0.02 4.03 0.04 -1.26 -5.02 135.00 134.07 2bkc s PRO 92 Ca 0.70 1.54 0.03 0.00 0.04 0.00 0.00 61.00 63.31 2bkc s PRO 92 Cb -0.31 -3.68 -0.03 0.00 0.04 0.00 0.00 34.50 30.52 2bkc s PRO 92 CO 0.36 -0.62 -0.10 0.15 0.04 0.00 0.00 177.00 176.84 2bkc s LYS 93 N 3.11 2.53 1.01 4.56 1.02 -1.26 -5.12 119.74 125.59 2bkc s LYS 93 Ca 0.51 -0.71 -0.12 0.00 0.02 0.00 0.00 55.97 55.67 2bkc s LYS 93 Cb -0.20 -2.46 0.19 0.00 -0.52 0.00 0.00 37.83 34.85 2bkc s LYS 93 CO 0.13 0.61 1.08 0.99 -0.92 0.00 0.00 175.35 177.24 2bkc s THR 94 N -0.89 2.25 0.13 2.17 2.01 -1.26 -4.83 115.64 115.22 2bkc s THR 94 Ca 0.15 0.08 -0.19 0.00 0.31 0.00 0.00 61.69 62.04 2bkc s THR 94 Cb -0.11 -2.30 -0.06 0.00 0.01 0.00 0.00 72.50 70.05 2bkc s THR 94 CO 0.04 -0.11 1.77 -0.03 -0.69 0.00 0.00 174.62 175.61 2bkc h MET 95 N -2.05 0.25 -0.66 4.92 4.05 -1.98 -2.02 114.93 117.43 2bkc h MET 95 Ca -0.53 -0.02 0.10 0.00 -0.28 0.00 0.00 59.70 58.98 2bkc h MET 95 Cb 1.30 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 32.00 2bkc h MET 95 CO 0.50 0.17 0.44 -0.44 0.23 0.00 0.00 176.91 177.81 2bkc h ASP 96 N 0.26 0.43 0.98 1.39 3.32 -1.94 -1.75 116.42 119.11 2bkc h ASP 96 Ca 0.09 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 2bkc h ASP 96 Cb -0.00 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2bkc h ASP 96 CO -0.04 0.26 -0.55 1.56 -1.72 0.00 0.00 179.24 178.74 2bkc h GLN 97 N 0.48 0.00 -0.19 3.56 4.20 -1.84 -2.38 115.11 118.94 2bkc h GLN 97 Ca 0.31 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.83 2bkc h GLN 97 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2bkc h GLN 97 CO -0.10 0.55 -0.64 -0.07 -0.67 0.00 0.00 178.83 177.90 2bkc h LEU 98 N 0.00 0.81 -0.29 1.46 3.38 -0.60 -2.84 115.31 117.22 2bkc h LEU 98 Ca -0.01 -0.47 -0.12 0.00 0.09 0.00 0.00 57.88 57.37 2bkc h LEU 98 Cb 1.19 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2bkc h LEU 98 CO 0.07 1.24 -0.59 0.24 0.09 0.00 0.00 178.44 179.50 2bkc h MET 99 N 0.51 0.00 0.00 1.13 2.86 -1.43 -2.07 114.93 115.94 2bkc h MET 99 Ca -0.01 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.42 2bkc h MET 99 Cb 1.24 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 2bkc h MET 99 CO 0.13 0.59 -0.89 0.93 1.06 0.00 0.00 176.91 178.73 2bkc h GLU 100 N 0.00 0.24 -0.69 1.72 5.08 -1.47 0.92 114.58 120.39 2bkc h GLU 100 Ca -0.01 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 2bkc h GLU 100 Cb 1.33 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.62 2bkc h GLU 100 CO 0.08 0.98 0.17 0.22 -1.00 0.00 0.00 179.01 179.45 2bkc h ASP 101 N 0.13 1.03 -0.40 1.42 3.58 -1.40 -0.52 116.42 120.25 2bkc h ASP 101 Ca -0.05 -0.22 -0.01 0.00 0.42 0.00 0.00 57.03 57.18 2bkc h ASP 101 Cb 1.52 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 42.28 2bkc h ASP 101 CO 0.14 0.99 0.23 0.25 -2.88 0.00 0.00 179.24 177.97 2bkc h LEU 102 N 1.04 0.50 -0.71 2.28 6.46 -1.23 -2.19 115.31 121.45 2bkc h LEU 102 Ca 0.22 -0.07 -0.14 0.00 -0.12 0.00 0.00 57.88 57.77 2bkc h LEU 102 Cb 0.36 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 2bkc h LEU 102 CO 0.00 0.43 -0.54 0.58 -0.62 0.00 0.00 178.44 178.29 2bkc h VAL 103 N 0.53 1.36 -0.35 1.05 2.07 -0.68 -1.13 116.25 119.08 2bkc h VAL 103 Ca 0.14 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 65.84 2bkc h VAL 103 Cb 0.03 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2bkc h VAL 103 CO -0.02 0.54 0.22 1.23 0.02 0.00 0.00 177.57 179.56 2bkc h GLY 104 N 1.34 0.51 1.31 2.17 0.00 -0.91 -2.06 103.07 105.43 2bkc h GLY 104 Ca 0.00 -0.21 -0.24 0.00 0.00 0.00 0.00 47.33 46.89 2bkc h GLY 104 CO 0.09 0.20 -0.91 -0.84 0.00 0.00 0.00 176.54 175.08 2bkc h THR 105 N 0.46 1.31 -0.48 4.70 2.02 -1.01 -1.83 112.91 118.09 2bkc h THR 105 Ca 0.13 -2.19 0.06 0.00 0.77 0.00 0.00 66.41 65.18 2bkc h THR 105 Cb -0.00 2.23 -0.05 0.00 -1.74 0.00 0.00 68.15 68.59 2bkc h THR 105 CO -0.02 0.67 0.17 -0.07 0.37 0.00 0.00 175.52 176.64 2bkc h LEU 106 N 0.40 0.17 -1.27 2.58 3.38 -1.11 -0.75 115.31 118.71 2bkc h LEU 106 Ca -0.09 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2bkc h LEU 106 Cb 1.54 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.30 2bkc h LEU 106 CO 0.18 0.13 0.42 -0.33 0.09 0.00 0.00 178.44 178.92 2bkc h GLU 107 N 0.34 0.91 0.33 1.13 5.08 -1.23 0.15 114.58 121.30 2bkc h GLU 107 Ca 0.23 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2bkc h GLU 107 Cb 0.24 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2bkc h GLU 107 CO -0.23 0.63 -0.16 1.25 -1.00 0.00 0.00 179.01 179.50 2bkc h LEU 108 N 0.93 -0.37 -0.73 1.33 5.85 -0.42 -0.92 115.31 120.98 2bkc h LEU 108 Ca 0.25 -0.16 0.16 0.00 0.84 0.00 0.00 57.88 58.97 2bkc h LEU 108 Cb -0.06 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 40.96 2bkc h LEU 108 CO -0.05 -0.02 0.18 -0.07 -0.34 0.00 0.00 178.44 178.14 2bkc h LEU 109 N -0.76 0.02 -0.28 2.25 3.38 -1.08 -1.06 115.31 117.78 2bkc h LEU 109 Ca -0.04 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2bkc h LEU 109 Cb 0.51 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2bkc h LEU 109 CO 0.07 -0.03 0.01 -0.09 0.09 0.00 0.00 178.44 178.50 2bkc h ARG 110 N 0.28 0.10 -0.28 1.13 2.43 -0.41 0.23 114.38 117.85 2bkc h ARG 110 Ca 0.41 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.45 2bkc h ARG 110 Cb 0.70 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2bkc h ARG 110 CO -0.50 0.06 -0.35 -0.44 -1.51 0.00 0.00 179.97 177.23 2bkc h ASP 111 N 0.10 0.65 0.32 -3.80 3.32 -0.51 -1.23 116.42 115.29 2bkc h ASP 111 Ca 0.13 -0.27 -0.16 0.00 0.02 0.00 0.00 57.03 56.76 2bkc h ASP 111 Cb 0.17 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2bkc h ASP 111 CO -0.21 0.95 -0.63 -0.33 -1.72 0.00 0.00 179.24 177.29 2bkc h GLU 112 N 0.53 0.29 -0.29 3.56 5.08 -1.02 -2.57 114.58 120.16 2bkc h GLU 112 Ca 0.06 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 2bkc h GLU 112 Cb 0.85 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2bkc h GLU 112 CO 0.07 0.83 -0.15 1.88 -1.00 0.00 0.00 179.01 180.64 2bkc h TYR 113 N 0.21 0.55 -0.92 4.33 -1.99 -0.34 -1.05 116.97 117.76 2bkc h TYR 113 Ca -0.01 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.61 2bkc h TYR 113 Cb 1.16 -0.14 -0.04 0.00 2.00 0.00 0.00 36.73 39.70 2bkc h TYR 113 CO 0.03 0.64 0.52 -0.22 -0.00 0.00 0.00 178.16 179.12 2bkc h LYS 114 N 0.46 1.27 -0.42 4.88 3.11 -1.04 0.45 116.57 125.29 2bkc h LYS 114 Ca 0.08 -0.14 -0.15 0.00 -2.81 0.00 0.00 60.65 57.63 2bkc h LYS 114 Cb 0.54 -0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 31.51 2bkc h LYS 114 CO 0.03 0.92 -0.32 1.96 -2.81 0.00 0.00 179.45 179.23 2bkc h GLN 115 N 1.28 0.95 0.00 1.90 4.20 -1.06 -2.46 115.11 119.93 2bkc h GLN 115 Ca 0.33 -0.46 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 2bkc h GLN 115 Cb 0.00 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2bkc h GLN 115 CO -0.05 1.13 -0.30 0.78 -0.67 0.00 0.00 178.83 179.71 2bkc h GLY 116 N 0.82 0.00 0.71 3.46 0.00 -0.75 0.66 103.07 107.97 2bkc h GLY 116 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 2bkc h GLY 116 CO 0.08 0.00 -0.30 -2.22 0.00 0.00 0.00 176.54 174.10 2bkc h ILE 117 N 0.00 1.41 -0.19 2.60 2.04 -0.80 -0.58 117.51 121.99 2bkc h ILE 117 Ca -0.00 -1.66 -0.00 0.00 1.00 0.00 0.00 64.86 64.19 2bkc h ILE 117 Cb 0.79 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 2bkc h ILE 117 CO 0.04 0.48 0.11 -0.33 0.00 0.00 0.00 178.15 178.45 2bkc h GLU 118 N -0.11 0.26 -0.34 2.37 4.39 -1.33 -0.82 114.58 119.00 2bkc h GLU 118 Ca -0.01 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 2bkc h GLU 118 Cb 0.93 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 2bkc h GLU 118 CO 0.06 0.24 -0.09 1.25 -1.16 0.00 0.00 179.01 179.31 2bkc h LEU 119 N 0.21 0.56 -0.32 1.33 5.85 -0.88 -1.84 115.31 120.23 2bkc h LEU 119 Ca 0.07 -0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.50 2bkc h LEU 119 Cb 0.05 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2bkc h LEU 119 CO -0.01 0.70 -0.67 0.74 -0.34 0.00 0.00 178.44 178.86 2bkc h THR 120 N 0.54 1.26 0.07 1.05 2.02 -0.95 -2.72 112.91 114.18 2bkc h THR 120 Ca 0.10 -2.47 -0.00 0.00 0.77 0.00 0.00 66.41 64.81 2bkc h THR 120 Cb 0.49 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 2bkc h THR 120 CO 0.03 0.65 -0.03 -0.78 0.37 0.00 0.00 175.52 175.76 2bkc h ASP 121 N 0.00 -0.08 0.03 4.18 3.58 -0.81 -2.30 116.42 121.03 2bkc h ASP 121 Ca -0.01 -0.47 -0.00 0.00 0.42 0.00 0.00 57.03 56.97 2bkc h ASP 121 Cb 1.37 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.44 2bkc h ASP 121 CO 0.09 0.46 -0.01 0.07 -2.88 0.00 0.00 179.24 176.97 2bkc h LYS 122 N -0.65 0.00 -0.16 0.28 5.09 -1.30 -2.42 116.57 117.41 2bkc h LYS 122 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.73 2bkc h LYS 122 Cb 0.54 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.87 2bkc h LYS 122 CO 0.02 0.01 0.00 0.39 -2.09 0.00 0.00 179.45 177.77 2bkc n GLU 123 N -3.67 1.95 -1.59 0.07 1.02 -1.03 -4.96 120.64 112.43 2bkc n GLU 123 Ca -0.03 -1.42 -0.11 0.00 -0.02 0.00 0.00 57.16 55.58 2bkc n GLU 123 Cb 0.09 -1.45 -0.04 0.00 -0.02 0.00 0.00 31.44 30.03 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 1.25 0.87 3.26 0.62 0.00 -0.91 -4.96 105.19 105.31 2bkc n GLY 124 Ca 0.17 -0.48 -0.44 0.00 0.00 0.00 0.00 46.02 45.28 2bkc n GLY 124 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bkc n ASP 125 N 0.07 5.48 -0.34 1.61 4.64 -0.88 -4.88 116.55 122.25 2bkc n ASP 125 Ca -0.12 -3.08 0.03 0.00 -1.38 0.00 0.00 54.79 50.24 2bkc n ASP 125 Cb 0.44 -1.45 0.17 0.00 -1.04 0.00 0.00 41.12 39.24 2bkc n ASP 125 CO 0.00 0.00 0.00 0.44 -0.82 0.00 0.00 177.20 176.82 2bkc h ASP 126 N 6.50 0.89 0.08 1.67 3.32 -1.93 -0.47 116.42 126.47 2bkc h ASP 126 Ca 0.27 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 2bkc h ASP 126 Cb 0.79 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2bkc h ASP 126 CO 1.25 0.54 -0.04 0.58 -1.72 0.00 0.00 179.24 179.85 2bkc h VAL 127 N 1.01 1.12 -0.58 -1.35 2.07 -1.97 -0.58 116.25 115.97 2bkc h VAL 127 Ca 0.42 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 67.23 2bkc h VAL 127 Cb 0.27 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 2bkc h VAL 127 CO -0.20 0.18 0.37 0.74 0.02 0.00 0.00 177.57 178.68 2bkc h THR 128 N -0.44 1.11 -0.53 2.57 2.02 -1.93 -0.72 112.91 114.99 2bkc h THR 128 Ca -0.01 -0.26 0.10 0.00 0.77 0.00 0.00 66.41 67.01 2bkc h THR 128 Cb 0.37 0.30 -0.08 0.00 -1.74 0.00 0.00 68.15 67.00 2bkc h THR 128 CO 0.02 0.14 0.08 -1.13 0.37 0.00 0.00 175.52 174.99 2bkc h ASN 129 N 0.75 -0.06 -0.02 4.18 -0.73 -1.02 -1.83 115.58 116.85 2bkc h ASN 129 Ca 0.22 0.10 -0.00 0.00 1.87 0.00 0.00 56.30 58.49 2bkc h ASN 129 Cb -0.04 0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.71 2bkc h ASN 129 CO -0.07 -0.01 0.00 -0.78 -0.37 0.00 0.00 177.43 176.20 2bkc h ASP 130 N 0.21 0.04 -0.67 1.15 3.58 -0.29 -2.46 116.42 117.99 2bkc h ASP 130 Ca 0.27 -0.27 0.14 0.00 0.42 0.00 0.00 57.03 57.58 2bkc h ASP 130 Cb 0.39 -0.01 -0.10 0.00 1.72 0.00 0.00 39.33 41.33 2bkc h ASP 130 CO -0.38 0.30 0.12 -0.03 -2.88 0.00 0.00 179.24 176.38 2bkc h MET 131 N -0.23 0.22 -0.34 0.28 4.05 -0.94 -2.02 114.93 115.96 2bkc h MET 131 Ca 0.01 -0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.30 2bkc h MET 131 Cb 0.28 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 2bkc h MET 131 CO 0.00 0.15 -0.26 -0.07 0.23 0.00 0.00 176.91 176.96 2bkc h LEU 132 N 0.23 0.69 -0.69 3.39 4.07 -1.17 -2.56 115.31 119.27 2bkc h LEU 132 Ca 0.36 -0.25 -0.05 0.00 0.08 0.00 0.00 57.88 58.02 2bkc h LEU 132 Cb 0.59 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.11 2bkc h LEU 132 CO -0.48 0.92 0.23 0.40 -1.08 0.00 0.00 178.44 178.44 2bkc h ILE 133 N 0.59 1.25 0.21 1.22 2.04 -0.91 -0.06 117.51 121.85 2bkc h ILE 133 Ca 0.08 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 2bkc h ILE 133 Cb 0.75 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2bkc h ILE 133 CO 0.06 0.33 -0.10 0.00 0.00 0.00 0.00 178.15 178.44 2bkc h ALA 134 N 1.11 -0.28 -0.61 1.87 0.00 -1.16 0.14 119.26 120.32 2bkc h ALA 134 Ca 0.23 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.16 2bkc h ALA 134 Cb 0.28 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 2bkc h ALA 134 CO -0.01 -0.61 0.10 0.74 0.00 0.00 0.00 179.25 179.47 2bkc h PHE 135 N -0.37 0.15 -0.09 0.00 0.05 -1.44 -1.65 116.94 113.59 2bkc h PHE 135 Ca -0.03 0.04 -0.04 0.00 3.82 0.00 0.00 57.97 61.76 2bkc h PHE 135 Cb 0.29 0.03 -0.01 0.00 2.00 0.00 0.00 35.95 38.25 2bkc h PHE 135 CO -0.04 -0.07 -0.13 -0.22 -0.18 0.00 0.00 178.31 177.67 2bkc h LYS 136 N 0.23 0.14 -0.43 1.51 3.64 -0.54 -1.09 116.57 120.02 2bkc h LYS 136 Ca 0.32 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2bkc h LYS 136 Cb 0.50 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2bkc h LYS 136 CO -0.44 0.28 0.26 0.00 -2.27 0.00 0.00 179.45 177.29 2bkc h ALA 137 N 1.73 0.55 -0.36 5.00 0.00 -0.04 -1.19 119.26 124.95 2bkc h ALA 137 Ca 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2bkc h ALA 137 Cb 0.33 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2bkc h ALA 137 CO 0.02 0.04 0.14 1.03 0.00 0.00 0.00 179.25 180.48 2bkc h SER 138 N 0.57 0.50 -0.36 0.00 0.87 -0.84 -3.05 113.55 111.25 2bkc h SER 138 Ca 0.16 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2bkc h SER 138 Cb -0.00 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2bkc h SER 138 CO -0.03 0.53 0.20 0.40 -0.53 0.00 0.00 176.83 177.40 2bkc h ILE 139 N 0.43 1.14 -0.64 2.23 2.04 -1.02 -0.83 117.51 120.87 2bkc h ILE 139 Ca 0.12 -0.38 0.09 0.00 1.00 0.00 0.00 64.86 65.69 2bkc h ILE 139 Cb 0.19 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 2bkc h ILE 139 CO -0.01 0.15 0.28 0.44 0.00 0.00 0.00 178.15 179.01 2bkc h ASP 140 N 0.46 0.34 -0.65 1.72 3.32 -1.22 -0.57 116.42 119.82 2bkc h ASP 140 Ca 0.13 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 2bkc h ASP 140 Cb 0.06 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2bkc h ASP 140 CO -0.02 0.20 0.26 0.50 -1.72 0.00 0.00 179.24 178.47 2bkc h LYS 141 N 0.50 0.97 -0.56 3.56 3.64 -1.38 -1.67 116.57 121.62 2bkc h LYS 141 Ca 0.31 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2bkc h LYS 141 Cb 0.34 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 2bkc h LYS 141 CO -0.27 0.81 0.20 0.45 -2.27 0.00 0.00 179.45 178.37 2bkc h HIS 142 N 0.91 0.83 -0.42 1.91 3.86 -0.48 -2.63 115.15 119.13 2bkc h HIS 142 Ca 0.22 -0.05 -0.12 0.00 -1.16 0.00 0.00 60.37 59.26 2bkc h HIS 142 Cb 0.20 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 2bkc h HIS 142 CO 0.01 0.66 -0.21 0.82 0.86 0.00 0.00 177.93 180.08 2bkc h ILE 143 N 0.81 1.27 -0.09 2.45 2.04 -0.53 -0.37 117.51 123.09 2bkc h ILE 143 Ca 0.19 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 2bkc h ILE 143 Cb 0.19 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2bkc h ILE 143 CO -0.01 0.45 0.03 -0.25 0.00 0.00 0.00 178.15 178.37 2bkc h TRP 144 N 0.74 0.14 -0.09 1.37 7.01 -1.18 -1.03 115.95 122.91 2bkc h TRP 144 Ca 0.10 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 2bkc h TRP 144 Cb 0.74 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.75 2bkc h TRP 144 CO 0.04 0.28 0.02 0.52 -2.79 0.00 0.00 178.44 176.51 2bkc h MET 145 N -0.04 0.15 -0.05 2.65 2.86 -1.33 0.16 114.93 119.33 2bkc h MET 145 Ca 0.03 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 2bkc h MET 145 Cb 0.20 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2bkc h MET 145 CO -0.00 0.34 -0.52 0.74 1.06 0.00 0.00 176.91 178.53 2bkc h PHE 146 N -0.08 0.17 -0.48 -0.22 -1.00 -1.06 0.22 116.94 114.50 2bkc h PHE 146 Ca 0.03 -0.06 -0.13 0.00 2.81 0.00 0.00 57.97 60.62 2bkc h PHE 146 Cb 0.27 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 2bkc h PHE 146 CO 0.01 0.64 -0.21 0.87 -1.61 0.00 0.00 178.31 178.01 2bkc h LYS 147 N 0.11 0.97 -0.58 1.51 1.79 -1.08 -1.96 116.57 117.33 2bkc h LYS 147 Ca 0.00 -0.40 -0.08 0.00 -2.18 0.00 0.00 60.65 57.99 2bkc h LYS 147 Cb 0.96 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.55 2bkc h LYS 147 CO 0.08 1.07 0.05 0.00 -1.08 0.00 0.00 179.45 179.56 2bkc h ALA 148 N 0.92 0.99 -0.93 3.86 0.00 -0.02 -0.28 119.26 123.80 2bkc h ALA 148 Ca 0.11 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.86 2bkc h ALA 148 Cb 0.77 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 2bkc h ALA 148 CO 0.06 0.63 0.56 0.35 0.00 0.00 0.00 179.25 180.85 2bkc h PHE 149 N 0.90 1.01 -0.00 0.00 3.57 -0.80 -2.77 116.94 118.85 2bkc h PHE 149 Ca 0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.71 2bkc h PHE 149 Cb 0.46 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.89 2bkc h PHE 149 CO 0.03 0.40 -0.03 1.28 -2.23 0.00 0.00 178.31 177.76 2bkc n LEU 150 N -4.68 0.17 0.00 0.59 4.77 -0.69 -4.92 117.00 112.24 2bkc n LEU 150 Ca 0.17 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2bkc n LEU 150 Cb 0.33 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2bkc n LEU 150 CO 0.27 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2bkc n GLY 151 N 1.19 0.77 3.68 -0.72 0.00 -0.72 -5.07 105.19 104.33 2bkc n GLY 151 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.75 2.51 0.71 1.61 -0.14 -0.20 -4.99 119.74 118.49 2bkc s LYS 152 Ca 0.00 -0.89 -0.14 0.00 -1.36 0.00 0.00 55.97 53.58 2bkc s LYS 152 Cb 0.00 -2.50 0.03 0.00 -1.68 0.00 0.00 37.83 33.67 2bkc s LYS 152 CO 0.00 0.53 1.13 0.00 -0.76 0.00 0.00 175.35 176.25 2bkc s ALA 153 N -1.37 2.29 0.20 5.17 0.00 -1.25 -3.29 121.76 123.51 2bkc s ALA 153 Ca 0.26 0.59 -0.09 0.00 0.00 0.00 0.00 51.96 52.71 2bkc s ALA 153 Cb -0.11 -3.36 0.14 0.00 0.00 0.00 0.00 23.12 19.80 2bkc s ALA 153 CO 0.18 -1.59 1.80 -1.35 0.00 0.00 0.00 175.76 174.80 2bkc h PRO 154 N -0.35 1.08 -1.84 0.00 0.11 -1.89 -3.21 132.00 125.91 2bkc h PRO 154 Ca -0.46 -0.16 -0.73 0.00 0.11 0.00 0.00 66.00 64.76 2bkc h PRO 154 Cb 1.26 -0.20 -0.30 0.00 0.11 0.00 0.00 31.00 31.87 2bkc h PRO 154 CO 0.52 0.84 0.74 1.28 -0.21 0.00 0.00 178.00 181.17 2bkc n LEU 155 N -4.40 7.06 0.00 2.35 4.77 -1.26 -4.87 117.00 120.66 2bkc n LEU 155 Ca 0.07 -4.86 0.00 0.00 -0.03 0.00 0.00 56.01 51.19 2bkc n LEU 155 Cb 0.13 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 2bkc n LEU 155 CO 0.39 1.82 0.00 -0.62 -1.33 0.00 0.00 177.39 177.65