#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 0.96 -0.23 -1.34 5.68 -1.26 -4.85 116.55 115.50 2bkc n ASP 8 Ca 0.00 -1.71 -0.03 0.00 -0.50 0.00 0.00 54.79 52.55 2bkc n ASP 8 Cb 0.00 -0.22 0.08 0.00 -1.14 0.00 0.00 41.12 39.84 2bkc n ASP 8 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2bkc h THR 9 N -0.03 1.04 0.27 2.12 2.02 -1.98 -1.30 112.91 115.05 2bkc h THR 9 Ca -0.13 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 2bkc h THR 9 Cb 0.60 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 2bkc h THR 9 CO 0.18 0.14 -0.13 0.11 0.37 0.00 0.00 175.52 176.19 2bkc h LYS 10 N 0.76 -0.35 -0.48 6.66 1.57 -1.97 -1.29 116.57 121.47 2bkc h LYS 10 Ca 0.28 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.05 2bkc h LYS 10 Cb 0.09 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2bkc h LYS 10 CO -0.14 -0.20 0.15 0.93 -0.57 0.00 0.00 179.45 179.63 2bkc h GLU 11 N -0.42 0.71 -0.29 3.15 5.08 -1.88 -1.17 114.58 119.76 2bkc h GLU 11 Ca -0.04 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 2bkc h GLU 11 Cb 0.32 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2bkc h GLU 11 CO 0.06 0.62 0.04 0.35 -1.00 0.00 0.00 179.01 179.07 2bkc h PHE 12 N 0.69 0.53 -0.42 4.33 3.57 -1.10 -0.12 116.94 124.42 2bkc h PHE 12 Ca 0.16 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.60 2bkc h PHE 12 Cb 0.20 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 2bkc h PHE 12 CO 0.01 0.60 0.25 -0.07 -2.23 0.00 0.00 178.31 176.86 2bkc h LEU 13 N 0.30 0.40 -0.74 0.59 4.07 -0.72 -2.02 115.31 117.19 2bkc h LEU 13 Ca 0.09 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.99 2bkc h LEU 13 Cb 0.36 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.99 2bkc h LEU 13 CO 0.01 0.29 0.25 -1.13 -1.08 0.00 0.00 178.44 176.77 2bkc h ASN 14 N 0.50 1.07 -0.93 -0.43 -0.73 -1.18 0.20 115.58 114.08 2bkc h ASN 14 Ca 0.17 -0.20 0.07 0.00 1.87 0.00 0.00 56.30 58.20 2bkc h ASN 14 Cb 0.01 -0.28 -0.06 0.00 0.27 0.00 0.00 38.32 38.26 2bkc h ASN 14 CO -0.08 0.99 0.60 -0.74 -0.37 0.00 0.00 177.43 177.83 2bkc h HIS 15 N 1.10 1.08 -0.02 0.67 2.76 -0.78 -1.86 115.15 118.09 2bkc h HIS 15 Ca 0.24 0.03 -0.22 0.00 -2.20 0.00 0.00 60.37 58.22 2bkc h HIS 15 Cb 0.29 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 28.89 2bkc h HIS 15 CO 0.02 0.56 -0.89 1.96 -1.30 0.00 0.00 177.93 178.29 2bkc h GLN 16 N 1.06 0.41 -0.66 5.26 1.08 -0.45 -1.58 115.11 120.24 2bkc h GLN 16 Ca 0.40 -0.42 0.14 0.00 -1.45 0.00 0.00 58.65 57.33 2bkc h GLN 16 Cb 0.21 0.11 -0.11 0.00 -0.05 0.00 0.00 27.48 27.64 2bkc h GLN 16 CO -0.16 1.08 0.02 0.28 -0.95 0.00 0.00 178.83 179.10 2bkc h VAL 17 N 0.25 0.46 -0.23 -0.54 2.07 -0.45 -0.02 116.25 117.78 2bkc h VAL 17 Ca -0.07 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2bkc h VAL 17 Cb 1.51 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2bkc h VAL 17 CO 0.15 0.02 0.10 0.00 0.02 0.00 0.00 177.57 177.86 2bkc h ALA 18 N 1.60 0.30 -0.61 1.67 0.00 -1.05 -3.07 119.26 118.11 2bkc h ALA 18 Ca 0.35 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.20 2bkc h ALA 18 Cb 0.59 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2bkc h ALA 18 CO -0.56 -0.11 0.40 -0.91 0.00 0.00 0.00 179.25 178.07 2bkc h ASN 19 N 0.23 0.58 0.56 0.00 2.35 -0.26 -2.85 115.58 116.19 2bkc h ASN 19 Ca 0.08 -0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.54 2bkc h ASN 19 Cb 0.16 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2bkc h ASN 19 CO -0.01 0.39 -1.35 -0.07 -1.65 0.00 0.00 177.43 174.74 2bkc h LEU 20 N 0.67 0.42 -0.97 1.61 4.07 -0.97 -1.42 115.31 118.72 2bkc h LEU 20 Ca 0.25 -0.49 -0.05 0.00 0.08 0.00 0.00 57.88 57.67 2bkc h LEU 20 Cb 0.15 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.73 2bkc h LEU 20 CO -0.07 1.39 0.13 0.78 -1.08 0.00 0.00 178.44 179.59 2bkc h ASN 21 N 0.07 0.82 -0.71 -0.43 2.35 -1.49 0.45 115.58 116.64 2bkc h ASN 21 Ca -0.18 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.36 2bkc h ASN 21 Cb 1.99 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 40.12 2bkc h ASN 21 CO 0.19 0.81 0.21 0.58 -1.65 0.00 0.00 177.43 177.56 2bkc h VAL 22 N 0.85 1.26 -0.11 2.81 2.07 -1.39 -2.96 116.25 118.78 2bkc h VAL 22 Ca 0.18 -0.93 -0.21 0.00 0.82 0.00 0.00 66.70 66.57 2bkc h VAL 22 Cb 0.31 0.49 0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2bkc h VAL 22 CO -0.00 0.36 -0.74 0.15 0.02 0.00 0.00 177.57 177.36 2bkc h PHE 23 N 1.08 0.96 -0.57 1.57 3.57 -0.76 -1.57 116.94 121.21 2bkc h PHE 23 Ca 0.23 -0.44 0.11 0.00 3.53 0.00 0.00 57.97 61.39 2bkc h PHE 23 Cb 0.33 -0.14 -0.11 0.00 2.79 0.00 0.00 35.95 38.82 2bkc h PHE 23 CO 0.03 1.27 -0.28 1.15 -2.23 0.00 0.00 178.31 178.24 2bkc h THR 24 N 0.38 0.23 0.00 4.41 2.02 -0.11 -0.92 112.91 118.91 2bkc h THR 24 Ca -0.06 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.01 2bkc h THR 24 Cb 1.39 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 2bkc h THR 24 CO 0.15 0.00 -0.52 0.58 0.37 0.00 0.00 175.52 176.10 2bkc h VAL 25 N -0.13 1.28 -0.14 3.16 2.07 -1.39 -2.36 116.25 118.73 2bkc h VAL 25 Ca 0.25 -1.84 -0.10 0.00 0.82 0.00 0.00 66.70 65.82 2bkc h VAL 25 Cb 0.53 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 2bkc h VAL 25 CO -0.65 0.51 -0.36 0.50 0.02 0.00 0.00 177.57 177.59 2bkc h LYS 26 N 0.00 0.28 -0.29 1.57 3.64 -0.54 -1.77 116.57 119.47 2bkc h LYS 26 Ca -0.01 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 2bkc h LYS 26 Cb 0.98 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2bkc h LYS 26 CO 0.07 0.61 0.10 0.82 -2.27 0.00 0.00 179.45 178.78 2bkc h ILE 27 N 0.24 1.19 -0.77 2.00 2.04 -0.67 -2.02 117.51 119.52 2bkc h ILE 27 Ca 0.03 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.35 2bkc h ILE 27 Cb 0.75 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.81 2bkc h ILE 27 CO 0.06 0.20 0.47 0.45 0.00 0.00 0.00 178.15 179.32 2bkc h HIS 28 N 0.31 0.86 -0.56 1.37 3.86 -1.30 -1.93 115.15 117.76 2bkc h HIS 28 Ca 0.09 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.36 2bkc h HIS 28 Cb 0.21 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 2bkc h HIS 28 CO -0.00 0.44 0.33 0.37 0.86 0.00 0.00 177.93 179.93 2bkc h GLN 29 N 0.86 0.63 -0.35 2.45 4.15 -0.92 0.53 115.11 122.47 2bkc h GLN 29 Ca 0.33 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.68 2bkc h GLN 29 Cb 0.14 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 2bkc h GLN 29 CO -0.16 0.42 0.09 0.82 -1.93 0.00 0.00 178.83 178.07 2bkc h ILE 30 N 0.65 1.22 0.29 2.39 2.04 -0.91 -1.66 117.51 121.53 2bkc h ILE 30 Ca 0.23 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 2bkc h ILE 30 Cb 0.04 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2bkc h ILE 30 CO -0.11 0.25 -0.14 -0.74 0.00 0.00 0.00 178.15 177.41 2bkc h HIS 31 N 0.41 -0.36 -0.55 1.37 2.76 -0.61 0.08 115.15 118.25 2bkc h HIS 31 Ca 0.11 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.35 2bkc h HIS 31 Cb 0.28 0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.30 2bkc h HIS 31 CO 0.01 -0.19 0.21 -1.49 -1.30 0.00 0.00 177.93 175.17 2bkc h TRP 32 N -0.44 0.37 -0.38 5.26 6.55 0.08 -3.17 115.95 124.21 2bkc h TRP 32 Ca -0.04 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.83 2bkc h TRP 32 Cb 0.33 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 28.55 2bkc h TRP 32 CO -0.04 0.11 0.00 0.66 -1.05 0.00 0.00 178.44 178.12 2bkc n TYR 33 N -4.99 0.49 -2.37 0.49 4.02 -0.63 -4.99 117.16 109.17 2bkc n TYR 33 Ca 0.07 -0.27 -0.35 0.00 -0.01 0.00 0.00 57.90 57.33 2bkc n TYR 33 Cb 0.23 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.53 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 -1.35 3.61 0.04 -0.72 0.23 0.01 -4.99 119.30 116.13 2bkc s MET 34 Ca 0.35 1.54 -0.02 0.00 -1.03 0.00 0.00 55.69 56.53 2bkc s MET 34 Cb 0.21 -2.12 -0.02 0.00 -1.53 0.00 0.00 34.83 31.36 2bkc s MET 34 CO 0.29 -0.62 0.01 1.03 -2.03 0.00 0.00 175.02 173.70 2bkc s ARG 35 N -3.14 0.52 0.00 3.16 0.52 -1.26 -5.01 118.95 113.74 2bkc s ARG 35 Ca 0.69 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 2bkc s ARG 35 Cb -0.22 0.19 0.00 0.00 0.52 0.00 0.00 34.95 35.44 2bkc s ARG 35 CO 0.26 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.88 2bkc n GLY 36 N 0.77 -0.71 0.27 -3.53 0.00 -1.26 -4.42 105.19 96.31 2bkc n GLY 36 Ca -0.19 -2.24 0.12 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.67 1.61 3.86 -2.06 -2.24 115.15 115.65 2bkc h HIS 37 Ca 0.00 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.01 2bkc h HIS 37 Cb 0.00 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.35 2bkc h HIS 37 CO 0.00 0.07 0.23 0.09 0.86 0.00 0.00 177.93 179.18 2bkc n ASN 38 N -3.92 4.56 -0.03 2.45 4.13 -1.26 -4.58 115.26 116.61 2bkc n ASN 38 Ca -0.02 -3.26 0.02 0.00 1.68 0.00 0.00 54.58 53.00 2bkc n ASN 38 Cb 0.16 -0.72 0.36 0.00 -1.54 0.00 0.00 39.78 38.05 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 2.43 0.58 0.03 3.10 3.57 -1.70 -2.03 116.94 122.91 2bkc h PHE 39 Ca 0.24 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.65 2bkc h PHE 39 Cb 2.21 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 40.77 2bkc h PHE 39 CO 1.20 0.42 -0.35 0.74 -2.23 0.00 0.00 178.31 178.09 2bkc h PHE 40 N 0.60 0.30 0.00 0.41 -1.00 -1.86 -1.79 116.94 113.60 2bkc h PHE 40 Ca 0.15 -0.19 -0.10 0.00 2.81 0.00 0.00 57.97 60.65 2bkc h PHE 40 Cb 0.05 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.57 2bkc h PHE 40 CO 0.00 1.05 -0.48 1.79 -1.61 0.00 0.00 178.31 179.06 2bkc h THR 41 N -0.52 0.90 0.17 -1.55 1.35 -1.88 -2.74 112.91 108.65 2bkc h THR 41 Ca -0.05 -2.00 -0.30 0.00 -0.55 0.00 0.00 66.41 63.50 2bkc h THR 41 Cb 1.16 2.25 0.02 0.00 -1.73 0.00 0.00 68.15 69.86 2bkc h THR 41 CO 0.07 0.47 -1.32 -0.07 -0.25 0.00 0.00 175.52 174.41 2bkc h LEU 42 N 0.00 0.65 -0.90 3.87 4.07 -1.51 -2.52 115.31 118.97 2bkc h LEU 42 Ca -0.00 -0.68 0.13 0.00 0.08 0.00 0.00 57.88 57.41 2bkc h LEU 42 Cb 1.22 -0.21 -0.15 0.00 1.08 0.00 0.00 40.66 42.60 2bkc h LEU 42 CO 0.06 1.52 -0.41 1.23 -1.08 0.00 0.00 178.44 179.76 2bkc h GLY 43 N 0.86 -0.09 0.93 0.83 0.00 -1.29 0.17 103.07 104.48 2bkc h GLY 43 Ca -0.19 0.54 -0.14 0.00 0.00 0.00 0.00 47.33 47.55 2bkc h GLY 43 CO 0.24 -0.17 -0.43 -2.09 0.00 0.00 0.00 176.54 174.08 2bkc h GLU 44 N -0.04 0.61 -0.34 4.80 4.22 -1.53 -2.73 114.58 119.57 2bkc h GLU 44 Ca 0.30 -0.41 0.08 0.00 0.08 0.00 0.00 59.36 59.40 2bkc h GLU 44 Cb 0.57 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2bkc h GLU 44 CO -0.91 1.03 0.24 -0.22 -2.18 0.00 0.00 179.01 176.96 2bkc h LYS 45 N 0.28 0.12 -0.05 1.92 1.63 -1.10 -2.17 116.57 117.19 2bkc h LYS 45 Ca -0.00 -0.01 -0.23 0.00 -0.85 0.00 0.00 60.65 59.56 2bkc h LYS 45 Cb 1.04 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.65 2bkc h LYS 45 CO 0.09 0.08 -0.90 0.52 -3.45 0.00 0.00 179.45 175.79 2bkc h MET 46 N 0.12 0.59 -0.81 1.90 2.86 -0.40 -2.09 114.93 117.08 2bkc h MET 46 Ca 0.16 -0.56 0.08 0.00 -2.06 0.00 0.00 59.70 57.31 2bkc h MET 46 Cb 0.47 0.14 -0.07 0.00 0.06 0.00 0.00 31.60 32.21 2bkc h MET 46 CO -0.02 1.18 0.47 -0.44 1.06 0.00 0.00 176.91 179.17 2bkc h ASP 47 N 0.36 0.70 -0.26 1.22 3.32 -1.19 0.33 116.42 120.90 2bkc h ASP 47 Ca -0.08 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 2bkc h ASP 47 Cb 1.53 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.97 2bkc h ASP 47 CO 0.17 0.42 0.03 0.44 -1.72 0.00 0.00 179.24 178.57 2bkc h ASP 48 N 0.82 0.42 -0.49 6.45 3.32 -1.33 -2.54 116.42 123.08 2bkc h ASP 48 Ca 0.38 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 57.19 2bkc h ASP 48 Cb 0.30 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 2bkc h ASP 48 CO -0.22 0.59 0.27 -0.07 -1.72 0.00 0.00 179.24 178.09 2bkc h LEU 49 N 0.24 0.42 -0.04 1.55 4.07 -1.23 0.51 115.31 120.83 2bkc h LEU 49 Ca 0.08 0.01 0.02 0.00 0.08 0.00 0.00 57.88 58.07 2bkc h LEU 49 Cb 0.36 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 2bkc h LEU 49 CO 0.01 0.30 -0.09 0.22 -1.08 0.00 0.00 178.44 177.80 2bkc h TYR 50 N 0.54 -0.22 -0.38 1.13 5.03 -0.33 -1.68 116.97 121.06 2bkc h TYR 50 Ca 0.20 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.45 2bkc h TYR 50 Cb 0.07 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.44 2bkc h TYR 50 CO -0.08 -0.13 -0.04 0.77 -1.32 0.00 0.00 178.16 177.36 2bkc h SER 51 N -0.13 0.69 -0.70 -2.11 0.02 -1.19 -2.34 113.55 107.79 2bkc h SER 51 Ca 0.05 -0.33 0.02 0.00 -0.84 0.00 0.00 61.79 60.69 2bkc h SER 51 Cb 0.20 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 2bkc h SER 51 CO -0.12 0.86 0.45 -0.08 -1.14 0.00 0.00 176.83 176.80 2bkc h GLU 52 N 0.51 0.87 0.00 3.45 4.81 -0.71 -1.33 114.58 122.19 2bkc h GLU 52 Ca 0.10 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.13 2bkc h GLU 52 Cb 0.53 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2bkc h GLU 52 CO 0.03 0.58 -0.74 0.74 -0.73 0.00 0.00 179.01 178.89 2bkc h PHE 53 N 0.90 0.00 -0.72 0.92 -1.00 -1.32 -0.70 116.94 115.02 2bkc h PHE 53 Ca 0.27 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.98 2bkc h PHE 53 Cb -0.04 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.49 2bkc h PHE 53 CO -0.03 0.74 0.19 0.78 -1.61 0.00 0.00 178.31 178.38 2bkc h GLY 54 N 2.75 1.23 1.25 -1.45 0.00 -1.13 -0.42 103.07 105.31 2bkc h GLY 54 Ca -0.01 -0.76 -0.17 0.00 0.00 0.00 0.00 47.33 46.39 2bkc h GLY 54 CO 0.10 0.71 -0.49 -2.09 0.00 0.00 0.00 176.54 174.76 2bkc h GLU 55 N 1.09 0.80 -0.23 4.80 4.22 -0.71 -2.15 114.58 122.40 2bkc h GLU 55 Ca 0.23 -0.47 0.06 0.00 0.08 0.00 0.00 59.36 59.25 2bkc h GLU 55 Cb 0.36 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 2bkc h GLU 55 CO -0.00 1.11 -0.13 1.96 -2.18 0.00 0.00 179.01 179.77 2bkc h GLN 56 N 0.63 -0.10 -0.51 1.92 4.20 -1.05 -1.15 115.11 119.04 2bkc h GLN 56 Ca 0.03 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.83 2bkc h GLN 56 Cb 1.07 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.81 2bkc h GLN 56 CO 0.11 -0.07 0.14 1.98 -0.67 0.00 0.00 178.83 180.32 2bkc h MET 57 N -0.11 0.28 -0.88 1.46 4.05 -0.92 -0.79 114.93 118.04 2bkc h MET 57 Ca 0.13 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.53 2bkc h MET 57 Cb 0.30 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.99 2bkc h MET 57 CO -0.30 0.19 0.55 -0.44 0.23 0.00 0.00 176.91 177.13 2bkc h ASP 58 N 0.29 1.04 -0.07 1.39 3.32 -1.04 -0.83 116.42 120.53 2bkc h ASP 58 Ca 0.26 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 2bkc h ASP 58 Cb 0.32 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2bkc h ASP 58 CO -0.30 0.78 -0.31 -0.33 -1.72 0.00 0.00 179.24 177.36 2bkc h GLU 59 N 1.20 0.54 -0.08 3.56 5.08 -0.70 -1.71 114.58 122.48 2bkc h GLU 59 Ca 0.32 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2bkc h GLU 59 Cb -0.08 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2bkc h GLU 59 CO -0.06 0.79 0.01 0.28 -1.00 0.00 0.00 179.01 179.03 2bkc h VAL 60 N 0.47 1.23 -0.63 3.13 2.07 -0.79 -1.15 116.25 120.57 2bkc h VAL 60 Ca 0.06 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 2bkc h VAL 60 Cb 0.77 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 2bkc h VAL 60 CO 0.06 0.20 0.19 0.00 0.02 0.00 0.00 177.57 178.04 2bkc h ALA 61 N 0.76 1.14 0.00 1.67 0.00 -1.07 -0.59 119.26 121.16 2bkc h ALA 61 Ca 0.02 -0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.50 2bkc h ALA 61 Cb 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2bkc h ALA 61 CO 0.00 0.59 -0.94 0.93 0.00 0.00 0.00 179.25 179.84 2bkc h GLU 62 N 0.94 0.37 -0.37 0.00 5.08 -1.25 -1.53 114.58 117.81 2bkc h GLU 62 Ca 0.21 -0.40 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 2bkc h GLU 62 Cb 0.28 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2bkc h GLU 62 CO -0.01 1.08 0.04 -0.09 -1.00 0.00 0.00 179.01 179.03 2bkc h ARG 63 N 0.21 0.63 -0.33 2.33 9.65 -1.08 -0.04 114.38 125.76 2bkc h ARG 63 Ca -0.07 -0.18 0.04 0.00 -1.10 0.00 0.00 59.98 58.66 2bkc h ARG 63 Cb 1.57 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 30.05 2bkc h ARG 63 CO 0.16 0.71 0.10 1.25 2.80 0.00 0.00 179.97 184.99 2bkc h LEU 64 N 0.47 0.10 -0.69 3.80 5.85 -0.90 -1.07 115.31 122.85 2bkc h LEU 64 Ca 0.11 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.98 2bkc h LEU 64 Cb 0.40 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 2bkc h LEU 64 CO 0.01 0.09 0.30 -0.07 -0.34 0.00 0.00 178.44 178.43 2bkc h LEU 65 N 0.24 0.33 -1.80 2.25 4.07 -1.24 -0.82 115.31 118.34 2bkc h LEU 65 Ca 0.15 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.18 2bkc h LEU 65 Cb 0.13 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 2bkc h LEU 65 CO -0.16 0.17 -0.07 0.00 -1.08 0.00 0.00 178.44 177.30 2bkc h ALA 66 N 1.46 1.07 -0.57 1.53 0.00 0.24 -2.06 119.26 120.94 2bkc h ALA 66 Ca 0.36 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 2bkc h ALA 66 Cb 0.45 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 2bkc h ALA 66 CO -0.32 0.08 0.12 0.44 0.00 0.00 0.00 179.25 179.57 2bkc n ILE 67 N -3.27 2.74 -2.27 0.00 -5.35 -0.72 -4.96 119.36 105.53 2bkc n ILE 67 Ca -0.01 -1.70 -0.06 0.00 -0.27 0.00 0.00 62.75 60.72 2bkc n ILE 67 Cb 0.26 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 37.85 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 -0.07 0.23 3.98 3.28 0.00 -0.77 -5.06 105.19 106.78 2bkc n GLY 68 Ca 0.33 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 2bkc n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bkc s GLY 69 N -2.82 1.99 -0.31 -0.02 0.00 -0.35 -4.99 107.32 100.81 2bkc s GLY 69 Ca 0.04 -1.80 -0.00 0.00 0.00 0.00 0.00 44.72 42.96 2bkc s GLY 69 CO 0.05 -1.76 0.08 -0.56 0.00 0.00 0.00 173.10 170.91 2bkc s SER 70 N -4.47 4.10 0.34 1.64 0.01 -1.26 -4.34 113.70 109.72 2bkc s SER 70 Ca 0.51 -1.68 -0.29 0.00 1.31 0.00 0.00 55.95 55.81 2bkc s SER 70 Cb -0.05 -0.98 -0.10 0.00 0.21 0.00 0.00 66.02 65.10 2bkc s SER 70 CO 0.32 -0.40 1.34 -2.16 0.41 0.00 0.00 173.24 172.75 2bkc s PRO 71 N 1.51 4.30 0.48 12.44 0.04 -1.26 -5.00 135.00 147.51 2bkc s PRO 71 Ca 0.09 2.29 -0.22 0.00 0.04 0.00 0.00 61.00 63.21 2bkc s PRO 71 Cb -0.18 -3.05 -0.10 0.00 0.04 0.00 0.00 34.50 31.22 2bkc s PRO 71 CO -0.22 -0.26 0.78 1.19 0.04 0.00 0.00 177.00 178.53 2bkc n PHE 72 N 0.74 0.29 -2.33 0.56 0.99 -1.26 -4.96 117.46 111.50 2bkc n PHE 72 Ca 0.00 0.53 -0.03 0.00 -0.00 0.00 0.00 57.45 57.95 2bkc n PHE 72 Cb 0.41 -2.09 0.00 0.00 -1.00 0.00 0.00 39.48 36.80 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 0.50 -0.38 -3.83 4.37 3.41 -1.26 -4.98 113.62 111.46 2bkc n SER 73 Ca 0.11 -2.05 -0.10 0.00 -0.26 0.00 0.00 58.87 56.58 2bkc n SER 73 Cb 0.42 0.16 -0.07 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.34 0.12 0.24 6.66 -4.23 -1.26 -5.06 115.64 111.77 2bkc s THR 74 Ca 0.12 -1.02 -0.03 0.00 -1.18 0.00 0.00 61.69 59.59 2bkc s THR 74 Cb 0.21 -1.18 0.07 0.00 1.34 0.00 0.00 72.50 72.94 2bkc s THR 74 CO -0.07 -0.56 1.69 -0.07 -0.54 0.00 0.00 174.62 175.07 2bkc h LEU 75 N 2.95 0.77 -0.16 4.79 4.07 -1.99 -2.37 115.31 123.37 2bkc h LEU 75 Ca -0.33 -0.23 0.05 0.00 0.08 0.00 0.00 57.88 57.45 2bkc h LEU 75 Cb 1.20 -0.21 -0.07 0.00 1.08 0.00 0.00 40.66 42.67 2bkc h LEU 75 CO 0.53 0.90 -0.33 0.50 -1.08 0.00 0.00 178.44 178.96 2bkc h LYS 76 N 0.71 -0.37 -0.33 1.13 3.11 -2.00 -1.83 116.57 116.99 2bkc h LYS 76 Ca 0.12 0.03 -0.11 0.00 -2.81 0.00 0.00 60.65 57.88 2bkc h LYS 76 Cb 0.59 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.89 2bkc h LYS 76 CO 0.04 -0.25 -0.24 0.93 -2.81 0.00 0.00 179.45 177.12 2bkc h GLU 77 N -0.38 0.64 -0.73 1.90 5.08 -1.94 -1.81 114.58 117.34 2bkc h GLU 77 Ca 0.10 -0.25 0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2bkc h GLU 77 Cb 0.55 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 2bkc h GLU 77 CO -0.38 0.83 0.43 0.74 -1.00 0.00 0.00 179.01 179.63 2bkc h PHE 78 N 0.56 0.78 -0.34 4.33 0.05 -1.17 -2.61 116.94 118.55 2bkc h PHE 78 Ca 0.08 0.03 -0.08 0.00 3.82 0.00 0.00 57.97 61.82 2bkc h PHE 78 Cb 0.71 -0.24 -0.01 0.00 2.00 0.00 0.00 35.95 38.40 2bkc h PHE 78 CO 0.03 0.38 -0.08 -0.07 -0.18 0.00 0.00 178.31 178.39 2bkc h LEU 79 N 0.78 0.66 -2.44 1.54 3.38 -0.78 -1.12 115.31 117.34 2bkc h LEU 79 Ca 0.33 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2bkc h LEU 79 Cb 0.19 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2bkc h LEU 79 CO -0.18 0.87 0.02 -0.33 0.09 0.00 0.00 178.44 178.91 2bkc h GLU 80 N 0.45 0.00 0.00 1.13 5.08 -1.17 -3.30 114.58 116.76 2bkc h GLU 80 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2bkc h GLU 80 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2bkc h GLU 80 CO 0.03 0.00 -0.02 0.09 -1.00 0.00 0.00 179.01 178.12 2bkc n ASN 81 N -3.87 0.06 -4.76 1.42 4.13 -1.00 -5.06 115.26 106.19 2bkc n ASN 81 Ca -0.03 -0.50 -0.39 0.00 1.68 0.00 0.00 54.58 55.34 2bkc n ASN 81 Cb 0.10 1.00 -0.06 0.00 -1.54 0.00 0.00 39.78 39.28 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 -1.02 3.34 -0.27 5.41 0.00 -0.44 -4.88 121.76 123.91 2bkc s ALA 82 Ca 0.00 0.56 0.22 0.00 0.00 0.00 0.00 51.96 52.75 2bkc s ALA 82 Cb 0.00 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 2bkc s ALA 82 CO 0.00 0.22 0.86 -1.13 0.00 0.00 0.00 175.76 175.71 2bkc n SER 83 N 1.35 0.52 -4.77 0.00 3.41 -1.26 -4.92 113.62 107.95 2bkc n SER 83 Ca -0.02 0.08 -0.40 0.00 -0.26 0.00 0.00 58.87 58.27 2bkc n SER 83 Cb 0.48 1.04 -0.00 0.00 -0.26 0.00 0.00 64.21 65.46 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 -3.37 2.50 -0.06 -3.33 1.01 -1.26 -5.03 120.40 110.86 2bkc s VAL 84 Ca -0.02 0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.39 2bkc s VAL 84 Cb 0.12 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2bkc s VAL 84 CO 0.83 0.08 0.11 -0.70 0.00 0.00 0.00 175.10 175.42 2bkc s GLU 85 N -2.20 3.25 0.00 2.72 2.56 -1.26 -5.04 118.70 118.74 2bkc s GLU 85 Ca 0.56 -0.32 0.03 0.00 0.00 0.00 0.00 54.97 55.24 2bkc s GLU 85 Cb -0.40 -3.01 -0.01 0.00 2.00 0.00 0.00 34.13 32.71 2bkc s GLU 85 CO 0.52 0.71 -0.10 -1.83 -0.56 0.00 0.00 175.26 173.99 2bkc s GLU 86 N -1.39 0.80 0.09 4.30 -1.05 -1.26 -5.04 118.70 115.15 2bkc s GLU 86 Ca 0.19 -0.45 0.07 0.00 -0.15 0.00 0.00 54.97 54.63 2bkc s GLU 86 Cb -0.12 -0.76 -0.03 0.00 -0.44 0.00 0.00 34.13 32.77 2bkc s GLU 86 CO 0.10 0.20 -0.18 0.00 0.95 0.00 0.00 175.26 176.33 2bkc s ALA 87 N -0.42 1.54 0.60 -0.84 0.00 -1.26 -5.14 121.76 116.23 2bkc s ALA 87 Ca 0.02 -1.16 -0.20 0.00 0.00 0.00 0.00 51.96 50.63 2bkc s ALA 87 Cb -0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 2bkc s ALA 87 CO -0.00 0.26 1.30 -1.25 0.00 0.00 0.00 175.76 176.07 2bkc s PRO 88 N -1.93 2.87 -0.30 0.00 0.04 -1.26 -4.95 135.00 129.48 2bkc s PRO 88 Ca 0.04 2.09 -0.26 0.00 0.04 0.00 0.00 61.00 62.90 2bkc s PRO 88 Cb -0.09 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.42 2bkc s PRO 88 CO 0.03 -1.35 0.94 -0.47 0.04 0.00 0.00 177.00 176.19 2bkc s TYR 89 N -1.39 3.21 0.00 0.56 5.04 -1.26 -4.83 117.35 118.67 2bkc s TYR 89 Ca 0.77 1.07 0.00 0.00 -2.44 0.00 0.00 57.07 56.48 2bkc s TYR 89 Cb -0.37 -3.40 0.00 0.00 0.35 0.00 0.00 41.96 38.54 2bkc s TYR 89 CO 0.42 -0.62 0.00 0.25 -1.34 0.00 0.00 175.55 174.26 2bkc n THR 90 N 5.62 0.00 -2.29 4.34 -2.24 -1.26 -5.06 114.28 113.38 2bkc n THR 90 Ca 0.08 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 2bkc n THR 90 Cb 0.47 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 2bkc n THR 90 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2bkc s LYS 91 N -0.96 4.35 0.08 -0.78 3.01 -1.26 -4.94 119.74 119.24 2bkc s LYS 91 Ca 0.00 1.91 -0.35 0.00 -1.01 0.00 0.00 55.97 56.52 2bkc s LYS 91 Cb 0.00 -3.39 -0.14 0.00 -1.01 0.00 0.00 37.83 33.29 2bkc s LYS 91 CO 0.00 -0.41 1.61 -2.30 0.51 0.00 0.00 175.35 174.75 2bkc n PRO 92 N 4.42 1.95 -4.13 -1.68 -0.02 -1.26 -5.01 135.00 129.28 2bkc n PRO 92 Ca 0.11 0.71 -0.22 0.00 -2.02 0.00 0.00 63.50 62.08 2bkc n PRO 92 Cb 0.44 -2.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.40 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 1.59 2.70 0.75 -0.52 1.02 -1.26 -5.14 119.74 118.88 2bkc s LYS 93 Ca 0.83 -1.21 -0.12 0.00 0.02 0.00 0.00 55.97 55.50 2bkc s LYS 93 Cb -0.74 -2.42 0.04 0.00 -0.52 0.00 0.00 37.83 34.19 2bkc s LYS 93 CO 0.43 0.34 1.13 0.99 -0.92 0.00 0.00 175.35 177.32 2bkc s THR 94 N -2.22 2.88 0.13 2.17 2.01 -1.26 -4.89 115.64 114.46 2bkc s THR 94 Ca 0.34 0.29 -0.18 0.00 0.31 0.00 0.00 61.69 62.45 2bkc s THR 94 Cb -0.07 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 2bkc s THR 94 CO 0.24 -0.38 1.72 -0.03 -0.69 0.00 0.00 174.62 175.48 2bkc h MET 95 N -0.82 0.44 -0.40 4.92 4.05 -1.99 -1.37 114.93 119.77 2bkc h MET 95 Ca -0.45 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 58.94 2bkc h MET 95 Cb 1.28 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.97 2bkc h MET 95 CO 0.65 0.39 0.21 -0.44 0.23 0.00 0.00 176.91 177.94 2bkc h ASP 96 N 0.38 0.31 -0.35 1.39 3.32 -1.95 -1.27 116.42 118.26 2bkc h ASP 96 Ca 0.11 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 2bkc h ASP 96 Cb 0.08 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2bkc h ASP 96 CO -0.02 0.23 0.05 1.56 -1.72 0.00 0.00 179.24 179.34 2bkc h GLN 97 N 0.42 0.67 -0.30 3.56 4.20 -1.90 -0.60 115.11 121.16 2bkc h GLN 97 Ca 0.17 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 2bkc h GLN 97 Cb 0.06 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2bkc h GLN 97 CO -0.11 0.65 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.32 2bkc h LEU 98 N 0.64 0.67 -0.99 1.46 3.38 -0.94 -3.00 115.31 116.53 2bkc h LEU 98 Ca 0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2bkc h LEU 98 Cb 0.32 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2bkc h LEU 98 CO 0.01 0.94 -0.05 0.24 0.09 0.00 0.00 178.44 179.67 2bkc h MET 99 N 0.55 0.00 0.12 1.13 2.86 -0.69 -2.53 114.93 116.37 2bkc h MET 99 Ca 0.06 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.42 2bkc h MET 99 Cb 0.81 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.49 2bkc h MET 99 CO 0.07 0.05 -1.22 0.93 1.06 0.00 0.00 176.91 177.79 2bkc h GLU 100 N 0.00 0.46 -0.26 1.72 5.08 -0.99 -1.05 114.58 119.54 2bkc h GLU 100 Ca -0.00 -0.66 -0.11 0.00 -1.00 0.00 0.00 59.36 57.59 2bkc h GLU 100 Cb 0.70 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2bkc h GLU 100 CO 0.01 1.29 -0.32 0.22 -1.00 0.00 0.00 179.01 179.21 2bkc h ASP 101 N 0.19 0.56 -0.04 1.42 3.58 -1.52 -1.38 116.42 119.23 2bkc h ASP 101 Ca -0.16 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.07 2bkc h ASP 101 Cb 1.90 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.80 2bkc h ASP 101 CO 0.22 0.84 0.02 0.25 -2.88 0.00 0.00 179.24 177.69 2bkc h LEU 102 N 0.46 0.05 -0.44 2.28 6.46 -1.35 -2.22 115.31 120.56 2bkc h LEU 102 Ca 0.06 -0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 57.64 2bkc h LEU 102 Cb 0.78 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.68 2bkc h LEU 102 CO 0.06 0.18 0.14 0.58 -0.62 0.00 0.00 178.44 178.79 2bkc h VAL 103 N -0.08 1.22 0.00 1.05 2.07 -1.11 -0.85 116.25 118.54 2bkc h VAL 103 Ca 0.01 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 2bkc h VAL 103 Cb 0.15 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2bkc h VAL 103 CO -0.00 0.26 -0.14 1.23 0.02 0.00 0.00 177.57 178.94 2bkc h GLY 104 N 0.57 0.00 0.74 2.17 0.00 -1.30 0.18 103.07 105.43 2bkc h GLY 104 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.31 2bkc h GLY 104 CO -0.00 0.00 -0.64 -0.84 0.00 0.00 0.00 176.54 175.06 2bkc h THR 105 N 0.00 1.46 -0.88 4.70 2.02 -1.05 -1.98 112.91 117.18 2bkc h THR 105 Ca -0.00 -2.20 0.10 0.00 0.77 0.00 0.00 66.41 65.08 2bkc h THR 105 Cb 0.27 2.78 -0.08 0.00 -1.74 0.00 0.00 68.15 69.39 2bkc h THR 105 CO 0.02 0.63 0.52 -0.07 0.37 0.00 0.00 175.52 176.99 2bkc h LEU 106 N -0.21 0.74 -0.81 2.58 3.38 -0.81 -1.91 115.31 118.27 2bkc h LEU 106 Ca -0.09 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2bkc h LEU 106 Cb 1.39 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 2bkc h LEU 106 CO 0.12 0.41 0.17 -0.33 0.09 0.00 0.00 178.44 178.90 2bkc h GLU 107 N 0.84 1.06 -0.72 1.13 5.08 -0.63 -1.81 114.58 119.53 2bkc h GLU 107 Ca 0.43 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2bkc h GLU 107 Cb 0.42 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2bkc h GLU 107 CO -0.26 0.93 0.32 1.25 -1.00 0.00 0.00 179.01 180.25 2bkc h LEU 108 N 1.01 0.97 -0.44 1.33 6.46 -0.72 -2.54 115.31 121.38 2bkc h LEU 108 Ca 0.21 -0.15 -0.16 0.00 -0.12 0.00 0.00 57.88 57.66 2bkc h LEU 108 Cb 0.34 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 2bkc h LEU 108 CO -0.00 0.85 -0.46 -0.07 -0.62 0.00 0.00 178.44 178.14 2bkc h LEU 109 N 1.02 0.85 0.25 2.25 3.38 -1.08 -1.56 115.31 120.42 2bkc h LEU 109 Ca 0.24 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2bkc h LEU 109 Cb 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2bkc h LEU 109 CO -0.03 1.18 -0.17 -0.09 0.09 0.00 0.00 178.44 179.42 2bkc h ARG 110 N 0.62 -0.40 -0.56 1.13 2.43 -1.26 0.21 114.38 116.56 2bkc h ARG 110 Ca 0.04 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2bkc h ARG 110 Cb 1.04 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 2bkc h ARG 110 CO 0.10 -0.27 0.34 -0.44 -1.51 0.00 0.00 179.97 178.19 2bkc h ASP 111 N -0.41 0.54 -0.18 -3.80 3.32 -1.47 0.20 116.42 114.63 2bkc h ASP 111 Ca -0.02 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 2bkc h ASP 111 Cb 0.35 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2bkc h ASP 111 CO 0.01 0.38 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.52 2bkc h GLU 112 N 0.66 0.50 -0.25 3.56 5.08 -1.11 -2.58 114.58 120.45 2bkc h GLU 112 Ca 0.23 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 2bkc h GLU 112 Cb 0.03 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2bkc h GLU 112 CO -0.10 0.57 -0.36 1.88 -1.00 0.00 0.00 179.01 180.00 2bkc h TYR 113 N 0.47 0.64 -0.69 4.33 -1.99 0.08 -2.08 116.97 117.73 2bkc h TYR 113 Ca 0.10 -0.17 -0.02 0.00 2.00 0.00 0.00 58.73 60.64 2bkc h TYR 113 Cb 0.40 -0.14 -0.03 0.00 2.00 0.00 0.00 36.73 38.96 2bkc h TYR 113 CO 0.01 0.83 0.36 -0.22 -0.00 0.00 0.00 178.16 179.15 2bkc h LYS 114 N 0.46 0.97 -0.72 4.88 1.63 -0.59 0.45 116.57 123.64 2bkc h LYS 114 Ca 0.05 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.71 2bkc h LYS 114 Cb 0.84 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 32.25 2bkc h LYS 114 CO 0.07 0.74 0.37 1.96 -3.45 0.00 0.00 179.45 179.14 2bkc h GLN 115 N 0.95 1.01 0.00 1.90 4.20 -1.15 -2.02 115.11 120.00 2bkc h GLN 115 Ca 0.24 -0.12 -0.14 0.00 0.06 0.00 0.00 58.65 58.69 2bkc h GLN 115 Cb 0.06 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 2bkc h GLN 115 CO -0.04 0.76 -0.64 0.78 -0.67 0.00 0.00 178.83 179.02 2bkc h GLY 116 N 1.06 0.00 0.85 3.46 0.00 -0.82 -1.14 103.07 106.48 2bkc h GLY 116 Ca 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 2bkc h GLY 116 CO -0.04 0.00 -0.02 -2.22 0.00 0.00 0.00 176.54 174.26 2bkc h ILE 117 N 0.00 1.27 -0.30 2.60 2.04 -0.48 -0.93 117.51 121.70 2bkc h ILE 117 Ca -0.01 -0.96 -0.04 0.00 1.00 0.00 0.00 64.86 64.86 2bkc h ILE 117 Cb 1.15 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 2bkc h ILE 117 CO 0.08 0.30 0.04 -0.33 0.00 0.00 0.00 178.15 178.25 2bkc h GLU 118 N 0.21 0.50 -0.33 2.37 5.08 -1.38 0.40 114.58 121.43 2bkc h GLU 118 Ca 0.07 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2bkc h GLU 118 Cb 0.45 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2bkc h GLU 118 CO 0.02 0.61 0.20 1.25 -1.00 0.00 0.00 179.01 180.08 2bkc h LEU 119 N 0.32 0.40 -0.23 1.33 5.85 -1.20 -1.54 115.31 120.24 2bkc h LEU 119 Ca 0.09 -0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.59 2bkc h LEU 119 Cb 0.35 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2bkc h LEU 119 CO 0.01 0.34 -0.77 0.00 -0.34 0.00 0.00 178.44 177.68 2bkc h THR 120 N 0.43 1.42 -0.50 1.05 1.03 -1.17 -1.74 112.91 113.43 2bkc h THR 120 Ca 0.12 -2.76 -0.07 0.00 -0.01 0.00 0.00 66.41 63.69 2bkc h THR 120 Cb 0.02 2.55 -0.02 0.00 -1.07 0.00 0.00 68.15 69.62 2bkc h THR 120 CO -0.02 0.75 0.02 -0.78 -0.01 0.00 0.00 175.52 175.48 2bkc h ASP 121 N 0.00 0.79 1.03 0.00 3.58 -0.73 -2.42 116.42 118.67 2bkc h ASP 121 Ca -0.01 -0.19 -0.16 0.00 0.42 0.00 0.00 57.03 57.10 2bkc h ASP 121 Cb 1.48 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 42.30 2bkc h ASP 121 CO 0.10 0.84 -0.74 0.11 -2.88 0.00 0.00 179.24 176.67 2bkc h LYS 122 N 0.78 0.00 0.00 0.28 1.57 -0.80 -2.93 116.57 115.46 2bkc h LYS 122 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2bkc h LYS 122 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2bkc h LYS 122 CO 0.02 0.74 0.00 0.39 -0.57 0.00 0.00 179.45 180.03 2bkc n GLU 123 N -3.42 0.14 -1.01 3.15 1.02 -0.70 -4.94 120.64 114.88 2bkc n GLU 123 Ca 0.00 0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.16 2bkc n GLU 123 Cb 0.78 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.70 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 1.27 0.47 3.52 0.62 0.00 -1.05 -4.96 105.19 105.06 2bkc n GLY 124 Ca 0.09 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.29 6.63 0.16 1.61 3.68 -0.94 -4.85 116.67 120.67 2bkc s ASP 125 Ca 0.00 -1.90 -0.03 0.00 2.13 0.00 0.00 52.55 52.76 2bkc s ASP 125 Cb 0.00 -2.50 0.01 0.00 -1.45 0.00 0.00 42.92 38.99 2bkc s ASP 125 CO 0.00 -1.25 1.40 0.44 0.13 0.00 0.00 175.17 175.89 2bkc h ASP 126 N 8.99 0.52 -0.49 -0.34 3.32 -1.93 -2.62 116.42 123.87 2bkc h ASP 126 Ca 0.22 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 2bkc h ASP 126 Cb 0.99 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 2bkc h ASP 126 CO 1.30 1.11 0.12 0.58 -1.72 0.00 0.00 179.24 180.63 2bkc h VAL 127 N 0.28 1.24 -0.21 -1.35 2.07 -1.96 -1.98 116.25 114.34 2bkc h VAL 127 Ca -0.04 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.56 2bkc h VAL 127 Cb 1.37 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2bkc h VAL 127 CO 0.13 0.30 -0.21 0.74 0.02 0.00 0.00 177.57 178.55 2bkc h THR 128 N 0.68 1.33 -0.79 2.57 2.02 -1.95 -2.31 112.91 114.45 2bkc h THR 128 Ca 0.16 -1.38 0.19 0.00 0.77 0.00 0.00 66.41 66.14 2bkc h THR 128 Cb 0.32 1.76 -0.13 0.00 -1.74 0.00 0.00 68.15 68.36 2bkc h THR 128 CO 0.00 0.42 0.10 -1.13 0.37 0.00 0.00 175.52 175.28 2bkc h ASN 129 N 0.18 -0.20 -0.21 4.18 -0.73 -1.49 -1.00 115.58 116.32 2bkc h ASN 129 Ca 0.03 0.19 -0.06 0.00 1.87 0.00 0.00 56.30 58.33 2bkc h ASN 129 Cb 0.77 0.30 -0.01 0.00 0.27 0.00 0.00 38.32 39.65 2bkc h ASN 129 CO 0.05 -0.15 -0.10 -0.78 -0.37 0.00 0.00 177.43 176.08 2bkc h ASP 130 N 0.16 0.45 -0.67 1.15 3.58 -1.09 -2.38 116.42 117.62 2bkc h ASP 130 Ca 0.46 -0.41 0.03 0.00 0.42 0.00 0.00 57.03 57.53 2bkc h ASP 130 Cb 0.84 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.72 2bkc h ASP 130 CO -0.64 0.76 0.41 -0.03 -2.88 0.00 0.00 179.24 176.85 2bkc h MET 131 N 0.14 0.77 -0.67 0.28 4.05 -1.27 -2.18 114.93 116.05 2bkc h MET 131 Ca 0.05 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 2bkc h MET 131 Cb 0.58 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 2bkc h MET 131 CO 0.03 0.51 0.30 -0.07 0.23 0.00 0.00 176.91 177.91 2bkc h LEU 132 N 0.79 0.88 -0.27 3.39 4.07 -1.15 -2.36 115.31 120.67 2bkc h LEU 132 Ca 0.28 -0.10 -0.03 0.00 0.08 0.00 0.00 57.88 58.10 2bkc h LEU 132 Cb 0.05 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.56 2bkc h LEU 132 CO -0.12 0.76 0.03 0.40 -1.08 0.00 0.00 178.44 178.44 2bkc h ILE 133 N 0.96 1.24 -0.31 1.22 2.04 -0.87 -0.69 117.51 121.10 2bkc h ILE 133 Ca 0.23 -0.81 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 2bkc h ILE 133 Cb 0.13 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 2bkc h ILE 133 CO -0.03 0.26 -0.08 0.00 0.00 0.00 0.00 178.15 178.30 2bkc h ALA 134 N 0.85 1.28 -0.55 1.87 0.00 -1.29 0.47 119.26 121.90 2bkc h ALA 134 Ca 0.08 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2bkc h ALA 134 Cb 0.35 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2bkc h ALA 134 CO 0.01 0.48 -0.04 0.74 0.00 0.00 0.00 179.25 180.43 2bkc h PHE 135 N 0.48 1.06 -0.13 0.00 0.05 -1.26 -2.67 116.94 114.46 2bkc h PHE 135 Ca 0.09 -0.19 -0.09 0.00 3.82 0.00 0.00 57.97 61.60 2bkc h PHE 135 Cb 0.44 -0.27 -0.01 0.00 2.00 0.00 0.00 35.95 38.10 2bkc h PHE 135 CO 0.01 0.97 -0.32 -0.22 -0.18 0.00 0.00 178.31 178.57 2bkc h LYS 136 N 0.88 0.26 -0.54 1.51 3.64 -0.06 -1.91 116.57 120.36 2bkc h LYS 136 Ca 0.15 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2bkc h LYS 136 Cb 0.58 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2bkc h LYS 136 CO 0.03 0.56 0.10 0.00 -2.27 0.00 0.00 179.45 177.87 2bkc h ALA 137 N 1.44 0.71 -0.17 5.00 0.00 -0.62 -1.02 119.26 124.61 2bkc h ALA 137 Ca 0.03 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2bkc h ALA 137 Cb 0.69 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2bkc h ALA 137 CO 0.05 0.44 -0.14 1.03 0.00 0.00 0.00 179.25 180.62 2bkc h SER 138 N 0.77 0.43 -0.67 0.00 0.87 -1.25 -2.64 113.55 111.06 2bkc h SER 138 Ca 0.16 -0.46 0.06 0.00 -1.23 0.00 0.00 61.79 60.32 2bkc h SER 138 Cb 0.38 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.17 2bkc h SER 138 CO 0.01 0.80 0.37 0.40 -0.53 0.00 0.00 176.83 177.87 2bkc h ILE 139 N 0.06 0.96 -0.87 2.23 2.04 -1.26 -0.54 117.51 120.12 2bkc h ILE 139 Ca 0.03 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.75 2bkc h ILE 139 Cb 0.67 0.22 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 2bkc h ILE 139 CO 0.04 0.12 0.52 0.44 0.00 0.00 0.00 178.15 179.27 2bkc h ASP 140 N 0.68 0.78 -0.39 1.72 3.32 -1.18 -1.12 116.42 120.23 2bkc h ASP 140 Ca 0.30 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.33 2bkc h ASP 140 Cb 0.20 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2bkc h ASP 140 CO -0.19 0.46 0.01 0.50 -1.72 0.00 0.00 179.24 178.30 2bkc h LYS 141 N 0.89 0.69 -0.84 3.56 3.64 -0.77 -2.37 116.57 121.38 2bkc h LYS 141 Ca 0.41 -0.22 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2bkc h LYS 141 Cb 0.32 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 2bkc h LYS 141 CO -0.22 0.78 0.55 0.45 -2.27 0.00 0.00 179.45 178.74 2bkc h HIS 142 N 0.52 1.02 -0.33 1.91 3.86 -0.74 -2.47 115.15 118.92 2bkc h HIS 142 Ca 0.11 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.30 2bkc h HIS 142 Cb 0.46 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 2bkc h HIS 142 CO 0.04 0.61 0.00 0.82 0.86 0.00 0.00 177.93 180.26 2bkc h ILE 143 N 1.07 1.26 -0.68 2.45 2.04 -0.99 -0.26 117.51 122.40 2bkc h ILE 143 Ca 0.33 -0.95 0.07 0.00 1.00 0.00 0.00 64.86 65.31 2bkc h ILE 143 Cb -0.02 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 2bkc h ILE 143 CO -0.09 0.31 0.36 -0.25 0.00 0.00 0.00 178.15 178.49 2bkc h TRP 144 N 0.39 0.66 -0.05 1.37 7.01 -1.10 -1.43 115.95 122.80 2bkc h TRP 144 Ca 0.09 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 60.98 2bkc h TRP 144 Cb 0.44 -0.19 0.01 0.00 -2.10 0.00 0.00 29.16 27.31 2bkc h TRP 144 CO 0.04 0.29 -0.52 0.52 -2.79 0.00 0.00 178.44 175.97 2bkc h MET 145 N 0.65 0.44 -0.39 2.65 2.86 -0.98 -0.40 114.93 119.76 2bkc h MET 145 Ca 0.32 -0.40 -0.14 0.00 -2.06 0.00 0.00 59.70 57.41 2bkc h MET 145 Cb 0.26 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2bkc h MET 145 CO -0.22 1.05 -0.32 0.74 1.06 0.00 0.00 176.91 179.23 2bkc h PHE 146 N -0.03 1.01 -0.42 -0.22 -1.00 -1.08 -0.39 116.94 114.81 2bkc h PHE 146 Ca -0.05 -0.27 0.01 0.00 2.81 0.00 0.00 57.97 60.47 2bkc h PHE 146 Cb 1.19 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 40.51 2bkc h PHE 146 CO 0.13 1.06 0.26 0.87 -1.61 0.00 0.00 178.31 179.03 2bkc h LYS 147 N 0.72 0.52 -0.87 1.51 1.79 -1.31 -1.88 116.57 117.05 2bkc h LYS 147 Ca 0.08 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2bkc h LYS 147 Cb 0.88 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.37 2bkc h LYS 147 CO 0.08 0.34 0.55 0.00 -1.08 0.00 0.00 179.45 179.35 2bkc h ALA 148 N 1.17 1.10 -0.78 3.86 0.00 -0.82 -0.70 119.26 123.10 2bkc h ALA 148 Ca 0.16 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.14 2bkc h ALA 148 Cb -0.02 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.36 2bkc h ALA 148 CO -0.06 0.53 0.52 0.35 0.00 0.00 0.00 179.25 180.59 2bkc h PHE 149 N 1.18 0.57 -0.20 0.00 3.57 -0.71 -0.65 116.94 120.71 2bkc h PHE 149 Ca 0.32 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.83 2bkc h PHE 149 Cb -0.10 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.46 2bkc h PHE 149 CO -0.01 0.22 0.00 1.28 -2.23 0.00 0.00 178.31 177.58 2bkc n LEU 150 N -4.50 1.25 -0.27 0.59 4.77 -0.62 -4.91 117.00 113.31 2bkc n LEU 150 Ca 0.15 -0.59 -0.04 0.00 -0.03 0.00 0.00 56.01 55.50 2bkc n LEU 150 Cb 0.50 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 2bkc n LEU 150 CO 0.32 0.29 -0.03 0.61 -1.33 0.00 0.00 177.39 177.25 2bkc n GLY 151 N 0.94 0.64 3.53 -0.72 0.00 -0.25 -5.04 105.19 104.30 2bkc n GLY 151 Ca 0.11 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.71 1.94 0.78 1.61 1.02 -0.37 -5.00 119.74 118.01 2bkc s LYS 152 Ca 0.00 -1.22 -0.11 0.00 0.02 0.00 0.00 55.97 54.66 2bkc s LYS 152 Cb 0.00 -2.14 0.06 0.00 -0.52 0.00 0.00 37.83 35.23 2bkc s LYS 152 CO 0.00 0.46 1.10 0.00 -0.92 0.00 0.00 175.35 175.98 2bkc s ALA 153 N -1.45 2.19 0.16 5.17 0.00 -1.26 -3.08 121.76 123.49 2bkc s ALA 153 Ca 0.22 0.31 -0.15 0.00 0.00 0.00 0.00 51.96 52.34 2bkc s ALA 153 Cb -0.10 -3.29 0.08 0.00 0.00 0.00 0.00 23.12 19.82 2bkc s ALA 153 CO 0.13 -1.84 1.76 -1.35 0.00 0.00 0.00 175.76 174.46 2bkc h PRO 154 N -1.14 0.34 -0.55 0.00 0.11 -1.88 -3.08 132.00 125.80 2bkc h PRO 154 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2bkc h PRO 154 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2bkc h PRO 154 CO 0.51 0.23 0.00 1.28 -0.21 0.00 0.00 178.00 179.80 2bkc n LEU 155 N -4.97 3.56 -0.05 2.35 4.77 -1.26 -4.87 117.00 116.54 2bkc n LEU 155 Ca 0.02 -2.05 0.01 0.00 -0.03 0.00 0.00 56.01 53.96 2bkc n LEU 155 Cb 0.13 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 40.84 2bkc n LEU 155 CO 0.28 0.86 0.27 -0.62 -1.33 0.00 0.00 177.39 176.85