#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 1.09 -0.03 4.52 5.75 -1.26 -5.02 116.55 121.60 2bkc n ASP 8 Ca 0.00 -0.47 -0.12 0.00 -0.01 0.00 0.00 54.79 54.18 2bkc n ASP 8 Cb 0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 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 0.26 1.42 -0.98 2.12 2.02 -1.99 -1.97 112.91 113.79 2bkc h THR 9 Ca 0.00 -1.70 0.22 0.00 0.77 0.00 0.00 66.41 65.69 2bkc h THR 9 Cb 0.00 2.52 -0.09 0.00 -1.74 0.00 0.00 68.15 68.84 2bkc h THR 9 CO 0.00 0.42 0.62 0.11 0.37 0.00 0.00 175.52 177.04 2bkc h LYS 10 N -0.82 0.54 0.08 6.66 1.57 -1.97 -1.22 116.57 121.42 2bkc h LYS 10 Ca -0.00 -0.03 -0.26 0.00 -1.87 0.00 0.00 60.65 58.48 2bkc h LYS 10 Cb 0.71 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 2bkc h LYS 10 CO 0.01 0.36 -1.26 0.93 -0.57 0.00 0.00 179.45 178.92 2bkc h GLU 11 N 0.56 0.18 0.09 3.15 5.08 -1.97 -2.85 114.58 118.81 2bkc h GLU 11 Ca 0.55 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2bkc h GLU 11 Cb 1.15 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2bkc h GLU 11 CO -0.30 1.10 -0.04 0.35 -1.00 0.00 0.00 179.01 179.12 2bkc h PHE 12 N 0.05 -0.11 -0.22 4.33 3.57 -0.53 -0.91 116.94 123.12 2bkc h PHE 12 Ca -0.13 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.38 2bkc h PHE 12 Cb 1.93 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.69 2bkc h PHE 12 CO 0.04 0.08 0.10 -0.07 -2.23 0.00 0.00 178.31 176.23 2bkc h LEU 13 N -0.29 0.14 -0.51 0.59 4.07 -1.34 -2.37 115.31 115.59 2bkc h LEU 13 Ca -0.01 0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.03 2bkc h LEU 13 Cb 0.24 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.91 2bkc h LEU 13 CO 0.02 0.11 0.17 -1.13 -1.08 0.00 0.00 178.44 176.54 2bkc h ASN 14 N 0.22 0.16 -0.83 -0.43 -0.73 -1.44 -0.14 115.58 112.38 2bkc h ASN 14 Ca 0.09 0.07 0.15 0.00 1.87 0.00 0.00 56.30 58.48 2bkc h ASN 14 Cb 0.03 0.06 -0.10 0.00 0.27 0.00 0.00 38.32 38.58 2bkc h ASN 14 CO -0.07 0.12 0.41 -0.74 -0.37 0.00 0.00 177.43 176.78 2bkc h HIS 15 N 0.35 0.71 -0.02 0.67 2.76 -0.87 -1.09 115.15 117.66 2bkc h HIS 15 Ca 0.25 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.32 2bkc h HIS 15 Cb 0.28 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 2bkc h HIS 15 CO -0.17 0.14 -0.62 1.96 -1.30 0.00 0.00 177.93 177.94 2bkc h GLN 16 N 0.57 0.06 -0.16 5.26 1.08 -0.62 -1.48 115.11 119.82 2bkc h GLN 16 Ca 0.46 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.66 2bkc h GLN 16 Cb 0.68 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.07 2bkc h GLN 16 CO -0.38 0.66 -0.14 0.28 -0.95 0.00 0.00 178.83 178.31 2bkc h VAL 17 N 0.04 0.62 -0.45 -0.54 2.07 0.17 -0.37 116.25 117.79 2bkc h VAL 17 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2bkc h VAL 17 Cb 1.11 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2bkc h VAL 17 CO 0.08 0.00 0.28 0.00 0.02 0.00 0.00 177.57 177.95 2bkc h ALA 18 N 0.95 0.57 -0.55 1.67 0.00 -1.12 -2.50 119.26 118.28 2bkc h ALA 18 Ca 0.10 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2bkc h ALA 18 Cb 0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2bkc h ALA 18 CO -0.25 -0.02 0.37 -0.91 0.00 0.00 0.00 179.25 178.43 2bkc h ASN 19 N 0.57 0.63 -0.21 0.00 4.21 -0.89 -2.74 115.58 117.14 2bkc h ASN 19 Ca 0.17 -0.01 -0.09 0.00 1.21 0.00 0.00 56.30 57.58 2bkc h ASN 19 Cb -0.02 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.01 2bkc h ASN 19 CO -0.06 0.45 -0.16 -0.07 -1.29 0.00 0.00 177.43 176.30 2bkc h LEU 20 N 0.75 0.63 -0.98 1.61 -0.00 -0.91 0.04 115.31 116.44 2bkc h LEU 20 Ca 0.20 -0.19 -0.07 0.00 -0.00 0.00 0.00 57.88 57.82 2bkc h LEU 20 Cb -0.08 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.39 2bkc h LEU 20 CO -0.05 0.80 -0.03 0.78 -0.00 0.00 0.00 178.44 179.95 2bkc h ASN 21 N 0.57 0.68 -0.34 -0.43 2.35 -1.35 0.41 115.58 117.47 2bkc h ASN 21 Ca 0.09 -0.16 -0.16 0.00 -0.55 0.00 0.00 56.30 55.52 2bkc h ASN 21 Cb 0.60 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 2bkc h ASN 21 CO 0.04 0.76 -0.40 0.58 -1.65 0.00 0.00 177.43 176.77 2bkc h VAL 22 N 0.66 1.27 -0.25 2.81 2.07 -1.10 -2.92 116.25 118.79 2bkc h VAL 22 Ca 0.13 -1.57 -0.14 0.00 0.82 0.00 0.00 66.70 65.94 2bkc h VAL 22 Cb 0.45 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2bkc h VAL 22 CO 0.02 0.52 -0.41 0.15 0.02 0.00 0.00 177.57 177.87 2bkc h PHE 23 N 0.73 0.71 -0.35 1.57 3.57 -0.76 -1.73 116.94 120.67 2bkc h PHE 23 Ca 0.06 -0.21 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 2bkc h PHE 23 Cb 0.98 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 2bkc h PHE 23 CO 0.06 0.91 0.21 0.00 -2.23 0.00 0.00 178.31 177.26 2bkc h THR 24 N 0.49 1.12 -0.02 4.41 1.03 -0.89 -1.25 112.91 117.80 2bkc h THR 24 Ca 0.04 -0.28 -0.11 0.00 -0.01 0.00 0.00 66.41 66.05 2bkc h THR 24 Cb 0.93 0.67 -0.01 0.00 -1.07 0.00 0.00 68.15 68.66 2bkc h THR 24 CO 0.08 0.12 -0.50 0.58 -0.01 0.00 0.00 175.52 175.79 2bkc h VAL 25 N 0.46 1.36 -0.09 0.00 2.07 -1.34 -2.65 116.25 116.05 2bkc h VAL 25 Ca 0.13 -1.73 -0.14 0.00 0.82 0.00 0.00 66.70 65.78 2bkc h VAL 25 Cb 0.01 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2bkc h VAL 25 CO -0.02 0.50 -0.55 0.50 0.02 0.00 0.00 177.57 178.02 2bkc h LYS 26 N 0.03 0.27 -0.30 1.57 3.64 -0.93 -1.42 116.57 119.44 2bkc h LYS 26 Ca -0.00 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 2bkc h LYS 26 Cb 0.90 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2bkc h LYS 26 CO 0.07 0.75 0.08 0.82 -2.27 0.00 0.00 179.45 178.89 2bkc h ILE 27 N 0.21 1.22 -0.85 2.00 2.04 -0.90 -2.03 117.51 119.19 2bkc h ILE 27 Ca 0.00 -0.71 0.10 0.00 1.00 0.00 0.00 64.86 65.25 2bkc h ILE 27 Cb 1.03 1.11 -0.08 0.00 -0.74 0.00 0.00 36.82 38.15 2bkc h ILE 27 CO 0.09 0.24 0.49 0.45 0.00 0.00 0.00 178.15 179.41 2bkc h HIS 28 N 0.32 0.88 -0.09 1.37 3.86 -1.36 -0.02 115.15 120.11 2bkc h HIS 28 Ca 0.09 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.37 2bkc h HIS 28 Cb 0.28 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 2bkc h HIS 28 CO 0.01 0.34 -0.13 0.37 0.86 0.00 0.00 177.93 179.38 2bkc h GLN 29 N 0.80 -0.17 -0.63 2.45 4.15 -0.83 0.52 115.11 121.39 2bkc h GLN 29 Ca 0.42 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.87 2bkc h GLN 29 Cb 0.41 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.10 2bkc h GLN 29 CO -0.26 -0.12 0.40 0.82 -1.93 0.00 0.00 178.83 177.74 2bkc h ILE 30 N -0.18 1.11 0.33 2.39 2.04 -0.79 -1.80 117.51 120.61 2bkc h ILE 30 Ca 0.08 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 2bkc h ILE 30 Cb 0.29 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2bkc h ILE 30 CO -0.20 0.15 -0.20 -0.74 0.00 0.00 0.00 178.15 177.16 2bkc h HIS 31 N 0.79 -0.52 -0.67 1.37 2.76 -0.49 -2.31 115.15 116.07 2bkc h HIS 31 Ca 0.25 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.33 2bkc h HIS 31 Cb -0.02 0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.10 2bkc h HIS 31 CO -0.04 -0.31 0.10 -1.49 -1.30 0.00 0.00 177.93 174.88 2bkc h TRP 32 N -0.51 1.20 -0.19 5.26 6.55 -0.66 -3.21 115.95 124.39 2bkc h TRP 32 Ca -0.03 -0.17 0.00 0.00 0.95 0.00 0.00 58.89 59.63 2bkc h TRP 32 Cb 0.42 -0.33 0.00 0.00 -0.86 0.00 0.00 29.16 28.39 2bkc h TRP 32 CO -0.09 1.00 0.00 0.66 -1.05 0.00 0.00 178.44 178.96 2bkc n TYR 33 N -4.20 0.22 -2.70 0.49 4.02 -0.70 -4.98 117.16 109.31 2bkc n TYR 33 Ca 0.04 -0.11 -0.34 0.00 -0.01 0.00 0.00 57.90 57.48 2bkc n TYR 33 Cb 0.30 0.00 -0.06 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 -1.78 4.10 0.05 -0.72 0.23 -0.87 -4.94 119.30 115.37 2bkc s MET 34 Ca 0.34 1.24 -0.06 0.00 -1.03 0.00 0.00 55.69 56.18 2bkc s MET 34 Cb 0.21 -2.21 -0.01 0.00 -1.53 0.00 0.00 34.83 31.29 2bkc s MET 34 CO 0.31 -0.16 0.10 1.03 -2.03 0.00 0.00 175.02 174.27 2bkc s ARG 35 N -3.09 0.66 0.00 3.16 0.52 -1.26 -4.99 118.95 113.95 2bkc s ARG 35 Ca 0.63 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 2bkc s ARG 35 Cb -0.13 0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.60 2bkc s ARG 35 CO 0.17 -0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.73 2bkc n GLY 36 N 0.45 1.65 0.32 -3.53 0.00 -1.26 -4.30 105.19 98.51 2bkc n GLY 36 Ca -0.17 -2.22 0.19 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.48 1.61 3.86 -2.06 -1.14 115.15 116.94 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 -3.43 4.38 -0.19 2.45 4.13 -1.26 -4.54 115.26 116.79 2bkc n ASN 38 Ca -0.03 -2.58 -0.05 0.00 1.68 0.00 0.00 54.58 53.60 2bkc n ASN 38 Cb 0.08 -0.59 0.05 0.00 -1.54 0.00 0.00 39.78 37.77 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 3.17 0.62 -0.03 3.10 3.57 -1.51 -1.87 116.94 124.00 2bkc h PHE 39 Ca 0.00 0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.27 2bkc h PHE 39 Cb 1.48 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 40.03 2bkc h PHE 39 CO 0.76 0.35 -0.97 0.74 -2.23 0.00 0.00 178.31 176.96 2bkc h PHE 40 N 0.66 0.94 -0.02 0.41 -1.00 -1.85 -1.23 116.94 114.86 2bkc h PHE 40 Ca 0.23 -0.49 -0.23 0.00 2.81 0.00 0.00 57.97 60.29 2bkc h PHE 40 Cb 0.04 -0.12 0.02 0.00 3.61 0.00 0.00 35.95 39.51 2bkc h PHE 40 CO -0.06 1.32 -0.88 0.00 -1.61 0.00 0.00 178.31 177.08 2bkc h THR 41 N 0.38 1.32 0.00 -1.55 1.03 -1.85 -2.72 112.91 109.52 2bkc h THR 41 Ca -0.10 -2.15 -0.13 0.00 -0.01 0.00 0.00 66.41 64.02 2bkc h THR 41 Cb 1.61 2.39 -0.02 0.00 -1.07 0.00 0.00 68.15 71.06 2bkc h THR 41 CO 0.19 0.66 -0.60 -0.07 -0.01 0.00 0.00 175.52 175.69 2bkc h LEU 42 N 0.27 0.00 0.09 0.00 4.07 -1.43 -2.24 115.31 116.07 2bkc h LEU 42 Ca -0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.86 2bkc h LEU 42 Cb 1.54 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.28 2bkc h LEU 42 CO 0.17 0.60 -0.07 1.23 -1.08 0.00 0.00 178.44 179.29 2bkc h GLY 43 N 3.14 -0.15 0.80 0.83 0.00 -1.24 0.30 103.07 106.75 2bkc h GLY 43 Ca -0.01 0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.45 2bkc h GLY 43 CO 0.08 -0.07 0.59 0.83 0.00 0.00 0.00 176.54 177.97 2bkc h GLU 44 N -0.16 1.09 -0.01 4.80 5.08 -1.40 -2.14 114.58 121.83 2bkc h GLU 44 Ca -0.00 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 2bkc h GLU 44 Cb 0.15 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2bkc h GLU 44 CO -0.01 0.72 -0.64 0.87 -1.00 0.00 0.00 179.01 178.95 2bkc h LYS 45 N 1.12 0.03 -0.05 2.33 1.79 -0.87 -2.64 116.57 118.28 2bkc h LYS 45 Ca 0.39 -0.03 -0.14 0.00 -2.18 0.00 0.00 60.65 58.69 2bkc h LYS 45 Cb 0.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 2bkc h LYS 45 CO -0.15 0.66 -0.62 0.52 -1.08 0.00 0.00 179.45 178.79 2bkc h MET 46 N 0.02 0.19 -0.19 3.15 2.86 -0.12 -2.05 114.93 118.79 2bkc h MET 46 Ca -0.01 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2bkc h MET 46 Cb 1.14 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 2bkc h MET 46 CO 0.09 0.74 0.12 -0.44 1.06 0.00 0.00 176.91 178.48 2bkc h ASP 47 N 0.14 0.20 -0.82 1.22 3.32 -1.14 -0.71 116.42 118.63 2bkc h ASP 47 Ca -0.01 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 2bkc h ASP 47 Cb 1.12 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.59 2bkc h ASP 47 CO 0.09 0.15 0.35 0.44 -1.72 0.00 0.00 179.24 178.55 2bkc h ASP 48 N 0.25 1.11 -0.02 6.45 3.32 -1.42 -2.40 116.42 123.72 2bkc h ASP 48 Ca 0.07 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 2bkc h ASP 48 Cb -0.02 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 2bkc h ASP 48 CO -0.02 0.97 -0.33 0.25 -1.72 0.00 0.00 179.24 178.38 2bkc h LEU 49 N 1.19 0.51 0.00 1.55 5.85 -1.26 -0.76 115.31 122.38 2bkc h LEU 49 Ca 0.28 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2bkc h LEU 49 Cb 0.19 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2bkc h LEU 49 CO -0.03 0.81 -0.00 0.22 -0.34 0.00 0.00 178.44 179.10 2bkc h TYR 50 N 0.42 -0.00 -0.64 1.25 5.03 -0.95 -0.48 116.97 121.60 2bkc h TYR 50 Ca 0.05 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 2bkc h TYR 50 Cb 0.78 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.03 2bkc h TYR 50 CO 0.03 0.15 0.32 0.77 -1.32 0.00 0.00 178.16 178.11 2bkc h SER 51 N -0.15 0.82 -0.04 -2.11 0.02 -1.41 -1.73 113.55 108.94 2bkc h SER 51 Ca -0.00 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2bkc h SER 51 Cb 0.15 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 2bkc h SER 51 CO 0.00 0.71 0.02 -0.08 -1.14 0.00 0.00 176.83 176.34 2bkc h GLU 52 N 0.88 0.06 0.00 3.45 4.81 -0.99 -1.51 114.58 121.27 2bkc h GLU 52 Ca 0.22 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 2bkc h GLU 52 Cb 0.09 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2bkc h GLU 52 CO -0.03 0.14 -0.31 0.74 -0.73 0.00 0.00 179.01 178.82 2bkc h PHE 53 N -0.03 0.00 -0.03 0.92 -1.00 -1.13 -1.91 116.94 113.76 2bkc h PHE 53 Ca 0.01 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.66 2bkc h PHE 53 Cb 0.10 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 2bkc h PHE 53 CO -0.04 0.31 -0.58 0.78 -1.61 0.00 0.00 178.31 177.17 2bkc h GLY 54 N 2.75 0.12 0.91 -1.45 0.00 -1.22 -2.29 103.07 101.88 2bkc h GLY 54 Ca -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 2bkc h GLY 54 CO 0.04 0.12 0.11 0.83 0.00 0.00 0.00 176.54 177.64 2bkc h GLU 55 N 0.08 0.46 -0.95 4.80 5.08 -0.72 -2.32 114.58 121.01 2bkc h GLU 55 Ca -0.00 -0.09 0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2bkc h GLU 55 Cb 1.05 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.16 2bkc h GLU 55 CO 0.08 0.49 0.60 1.96 -1.00 0.00 0.00 179.01 181.14 2bkc h GLN 56 N 0.34 1.01 0.30 2.33 4.20 -1.22 -2.51 115.11 119.56 2bkc h GLN 56 Ca 0.10 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2bkc h GLN 56 Cb 0.21 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2bkc h GLN 56 CO -0.01 0.67 -0.14 1.98 -0.67 0.00 0.00 178.83 180.66 2bkc h MET 57 N 1.04 -0.39 -0.85 1.46 4.05 -1.30 -0.35 114.93 118.59 2bkc h MET 57 Ca 0.43 0.03 0.14 0.00 -0.28 0.00 0.00 59.70 60.02 2bkc h MET 57 Cb 0.26 0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 31.08 2bkc h MET 57 CO -0.20 -0.10 0.55 0.22 0.23 0.00 0.00 176.91 177.61 2bkc h ASP 58 N -0.67 0.59 0.08 1.39 -0.00 -1.20 -0.79 116.42 115.83 2bkc h ASP 58 Ca -0.04 0.03 -0.24 0.00 -0.00 0.00 0.00 57.03 56.78 2bkc h ASP 58 Cb 0.47 -0.08 0.01 0.00 -0.00 0.00 0.00 39.33 39.73 2bkc h ASP 58 CO 0.07 0.30 -0.95 -0.33 -0.00 0.00 0.00 179.24 178.33 2bkc h GLU 59 N 0.63 0.62 0.06 0.28 5.08 -1.13 -0.38 114.58 119.74 2bkc h GLU 59 Ca 0.42 -0.63 0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2bkc h GLU 59 Cb 0.73 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 2bkc h GLU 59 CO -0.18 1.23 -0.24 0.28 -1.00 0.00 0.00 179.01 179.10 2bkc h VAL 60 N 0.37 0.46 -0.74 3.13 2.07 -0.35 0.27 116.25 121.46 2bkc h VAL 60 Ca -0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 2bkc h VAL 60 Cb 1.59 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 2bkc h VAL 60 CO 0.18 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.23 2bkc h ALA 61 N 0.39 0.95 -0.25 1.67 0.00 -1.14 0.21 119.26 121.10 2bkc h ALA 61 Ca 0.04 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2bkc h ALA 61 Cb 0.46 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2bkc h ALA 61 CO -0.17 0.41 -0.48 0.93 0.00 0.00 0.00 179.25 179.93 2bkc h GLU 62 N 1.02 0.66 -0.31 0.00 5.08 -0.76 -1.34 114.58 118.93 2bkc h GLU 62 Ca 0.27 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2bkc h GLU 62 Cb -0.05 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2bkc h GLU 62 CO -0.05 1.00 0.15 -0.09 -1.00 0.00 0.00 179.01 179.02 2bkc h ARG 63 N 0.52 0.44 -0.96 2.33 9.65 0.26 -0.82 114.38 125.80 2bkc h ARG 63 Ca 0.03 -0.06 0.12 0.00 -1.10 0.00 0.00 59.98 58.96 2bkc h ARG 63 Cb 1.03 -0.08 -0.08 0.00 -1.39 0.00 0.00 29.97 29.46 2bkc h ARG 63 CO 0.10 0.41 0.61 1.25 2.80 0.00 0.00 179.97 185.14 2bkc h LEU 64 N 0.36 0.87 -0.59 3.80 5.85 -0.43 -0.52 115.31 124.65 2bkc h LEU 64 Ca 0.11 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 2bkc h LEU 64 Cb 0.11 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2bkc h LEU 64 CO -0.01 0.47 -0.58 -0.07 -0.34 0.00 0.00 178.44 177.91 2bkc h LEU 65 N 0.94 0.44 -0.76 2.25 4.07 -1.03 0.81 115.31 122.02 2bkc h LEU 65 Ca 0.47 -0.24 -0.07 0.00 0.08 0.00 0.00 57.88 58.12 2bkc h LEU 65 Cb 0.49 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 2bkc h LEU 65 CO -0.23 0.92 -0.31 0.00 -1.08 0.00 0.00 178.44 177.74 2bkc h ALA 66 N 1.08 0.93 -0.60 1.53 0.00 0.38 -3.03 119.26 119.56 2bkc h ALA 66 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2bkc h ALA 66 Cb 1.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2bkc h ALA 66 CO 0.10 0.39 0.00 0.44 0.00 0.00 0.00 179.25 180.18 2bkc n ILE 67 N -3.37 1.88 -0.08 0.00 -5.35 -0.86 -4.93 119.36 106.66 2bkc n ILE 67 Ca 0.01 -1.14 0.00 0.00 -0.27 0.00 0.00 62.75 61.35 2bkc n ILE 67 Cb 0.52 0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 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 1.00 0.86 2.90 3.28 0.00 -1.14 -5.05 105.19 107.04 2bkc n GLY 68 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.06 1.44 2.70 -0.02 0.00 0.27 -5.01 105.19 102.51 2bkc n GLY 69 Ca 0.00 -2.13 -0.28 0.00 0.00 0.00 0.00 46.02 43.61 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 -3.82 3.17 0.27 1.61 0.01 -1.26 -4.44 113.70 109.24 2bkc s SER 70 Ca 0.47 -1.03 -0.30 0.00 1.31 0.00 0.00 55.95 56.40 2bkc s SER 70 Cb -0.03 -0.59 -0.09 0.00 0.21 0.00 0.00 66.02 65.51 2bkc s SER 70 CO 0.30 -0.35 1.07 -2.16 0.41 0.00 0.00 173.24 172.51 2bkc s PRO 71 N 1.86 4.69 0.34 12.44 0.04 -1.26 -5.00 135.00 148.11 2bkc s PRO 71 Ca 0.03 1.74 -0.27 0.00 0.04 0.00 0.00 61.00 62.53 2bkc s PRO 71 Cb -0.17 -3.21 -0.13 0.00 0.04 0.00 0.00 34.50 31.03 2bkc s PRO 71 CO -0.15 0.27 1.12 1.19 0.04 0.00 0.00 177.00 179.47 2bkc n PHE 72 N 1.30 1.64 -2.33 0.56 0.99 -1.26 -4.92 117.46 113.44 2bkc n PHE 72 Ca -0.01 0.61 -0.01 0.00 -0.00 0.00 0.00 57.45 58.04 2bkc n PHE 72 Cb 0.45 -2.31 -0.01 0.00 -1.00 0.00 0.00 39.48 36.62 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 0.88 0.04 -3.79 4.37 3.41 -1.26 -4.94 113.62 112.33 2bkc n SER 73 Ca 0.08 -2.02 -0.10 0.00 -0.26 0.00 0.00 58.87 56.57 2bkc n SER 73 Cb 0.35 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.23 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 -0.27 0.11 0.45 6.66 -4.23 -1.26 -5.05 115.64 112.06 2bkc s THR 74 Ca 0.18 -0.87 0.17 0.00 -1.18 0.00 0.00 61.69 59.99 2bkc s THR 74 Cb 0.23 -1.10 0.21 0.00 1.34 0.00 0.00 72.50 73.18 2bkc s THR 74 CO -0.09 -0.48 2.02 -0.07 -0.54 0.00 0.00 174.62 175.47 2bkc h LEU 75 N 2.98 0.00 0.02 4.79 4.07 -1.99 -2.05 115.31 123.13 2bkc h LEU 75 Ca -0.33 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.63 2bkc h LEU 75 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 2bkc h LEU 75 CO 0.50 0.16 -0.01 0.50 -1.08 0.00 0.00 178.44 178.51 2bkc h LYS 76 N 0.00 -0.02 -0.61 1.13 1.63 -1.99 -1.20 116.57 115.51 2bkc h LYS 76 Ca -0.00 0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.90 2bkc h LYS 76 Cb 0.29 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.85 2bkc h LYS 76 CO 0.02 0.51 0.23 0.93 -3.45 0.00 0.00 179.45 177.69 2bkc h GLU 77 N -0.56 0.39 -0.61 1.90 5.08 -1.95 -1.67 114.58 117.16 2bkc h GLU 77 Ca -0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2bkc h GLU 77 Cb 0.54 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2bkc h GLU 77 CO 0.00 0.26 0.38 0.74 -1.00 0.00 0.00 179.01 179.39 2bkc h PHE 78 N 0.40 0.80 -0.17 4.33 0.05 -1.13 -2.69 116.94 118.52 2bkc h PHE 78 Ca 0.31 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 62.01 2bkc h PHE 78 Cb 0.39 -0.26 -0.01 0.00 2.00 0.00 0.00 35.95 38.06 2bkc h PHE 78 CO -0.17 0.53 -0.31 -0.07 -0.18 0.00 0.00 178.31 178.11 2bkc h LEU 79 N 0.83 0.35 -1.38 1.54 3.38 -0.84 -0.25 115.31 118.94 2bkc h LEU 79 Ca 0.22 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2bkc h LEU 79 Cb -0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2bkc h LEU 79 CO -0.04 0.65 -0.26 -0.33 0.09 0.00 0.00 178.44 178.55 2bkc h GLU 80 N 0.30 0.00 0.00 1.13 5.08 -1.12 -3.36 114.58 116.61 2bkc h GLU 80 Ca 0.04 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2bkc h GLU 80 Cb 0.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2bkc h GLU 80 CO 0.05 0.26 -1.50 0.09 -1.00 0.00 0.00 179.01 176.92 2bkc n ASN 81 N -3.68 2.95 -4.77 1.42 4.13 -1.03 -5.03 115.26 109.26 2bkc n ASN 81 Ca -0.01 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.89 2bkc n ASN 81 Cb 0.38 1.02 0.00 0.00 -1.54 0.00 0.00 39.78 39.64 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 -2.39 2.82 -0.22 5.41 0.00 -0.12 -4.92 121.76 122.34 2bkc s ALA 82 Ca -0.04 0.93 0.18 0.00 0.00 0.00 0.00 51.96 53.02 2bkc s ALA 82 Cb 0.04 -3.39 -0.25 0.00 0.00 0.00 0.00 23.12 19.52 2bkc s ALA 82 CO 0.35 -0.79 0.47 -1.13 0.00 0.00 0.00 175.76 174.67 2bkc n SER 83 N -0.93 0.93 -4.72 0.00 3.41 -1.26 -4.95 113.62 106.09 2bkc n SER 83 Ca 0.10 -0.23 -0.42 0.00 -0.26 0.00 0.00 58.87 58.06 2bkc n SER 83 Cb 0.49 1.60 -0.03 0.00 -0.26 0.00 0.00 64.21 66.01 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 -3.07 2.47 -0.03 -3.33 1.01 -1.26 -5.00 120.40 111.19 2bkc s VAL 84 Ca -0.03 0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 2bkc s VAL 84 Cb 0.12 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2bkc s VAL 84 CO 0.72 0.03 0.22 -1.61 0.00 0.00 0.00 175.10 174.47 2bkc s GLU 85 N 0.84 3.52 0.17 2.72 2.02 -1.26 -5.01 118.70 121.70 2bkc s GLU 85 Ca 0.69 -0.13 0.09 0.00 0.02 0.00 0.00 54.97 55.64 2bkc s GLU 85 Cb -0.45 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 2bkc s GLU 85 CO 0.34 0.69 -0.18 -1.83 0.02 0.00 0.00 175.26 174.30 2bkc s GLU 86 N -1.57 1.29 -0.06 1.61 -1.05 -1.26 -5.05 118.70 112.62 2bkc s GLU 86 Ca 0.24 -1.42 -0.10 0.00 -0.15 0.00 0.00 54.97 53.54 2bkc s GLU 86 Cb -0.13 -1.35 0.02 0.00 -0.44 0.00 0.00 34.13 32.23 2bkc s GLU 86 CO 0.13 0.27 0.24 0.00 0.95 0.00 0.00 175.26 176.85 2bkc s ALA 87 N -2.07 -0.59 0.59 -0.84 0.00 -1.26 -5.15 121.76 112.44 2bkc s ALA 87 Ca 0.16 0.45 -0.19 0.00 0.00 0.00 0.00 51.96 52.39 2bkc s ALA 87 Cb -0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 2bkc s ALA 87 CO 0.07 -0.16 1.19 -1.25 0.00 0.00 0.00 175.76 175.60 2bkc s PRO 88 N -0.47 3.02 -0.16 0.00 0.04 -1.26 -4.95 135.00 131.22 2bkc s PRO 88 Ca -0.06 1.78 -0.29 0.00 0.04 0.00 0.00 61.00 62.47 2bkc s PRO 88 Cb -0.04 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 2bkc s PRO 88 CO 0.01 -1.15 1.00 -0.47 0.04 0.00 0.00 177.00 176.43 2bkc s TYR 89 N -1.65 3.43 0.00 0.56 5.04 -1.26 -4.87 117.35 118.60 2bkc s TYR 89 Ca 0.76 1.50 0.00 0.00 -2.44 0.00 0.00 57.07 56.89 2bkc s TYR 89 Cb -0.29 -3.20 0.00 0.00 0.35 0.00 0.00 41.96 38.82 2bkc s TYR 89 CO 0.32 -0.33 0.00 0.25 -1.34 0.00 0.00 175.55 174.45 2bkc n THR 90 N 4.89 0.00 -2.82 4.34 -2.24 -1.26 -5.08 114.28 112.11 2bkc n THR 90 Ca 0.10 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.50 2bkc n THR 90 Cb 0.48 -0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 68.26 2bkc n THR 90 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2bkc s LYS 91 N -0.95 4.63 0.78 -0.78 -2.85 -1.26 -5.04 119.74 114.27 2bkc s LYS 91 Ca 0.00 1.31 -0.13 0.00 -1.00 0.00 0.00 55.97 56.15 2bkc s LYS 91 Cb 0.00 -3.00 0.07 0.00 -2.06 0.00 0.00 37.83 32.84 2bkc s LYS 91 CO 0.00 0.39 1.18 -1.25 0.10 0.00 0.00 175.35 175.78 2bkc s PRO 92 N -1.69 1.87 -0.04 1.78 0.04 -1.26 -5.06 135.00 130.64 2bkc s PRO 92 Ca 0.45 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 63.15 2bkc s PRO 92 Cb -0.21 -1.81 0.03 0.00 0.04 0.00 0.00 34.50 32.55 2bkc s PRO 92 CO 0.26 -2.02 0.09 0.15 0.04 0.00 0.00 177.00 175.52 2bkc s LYS 93 N -4.16 0.03 1.08 4.56 1.02 -1.26 -5.16 119.74 115.85 2bkc s LYS 93 Ca 0.72 0.26 -0.12 0.00 0.02 0.00 0.00 55.97 56.85 2bkc s LYS 93 Cb -0.27 -0.19 0.24 0.00 -0.52 0.00 0.00 37.83 37.09 2bkc s LYS 93 CO 0.49 -0.15 1.07 -0.08 -0.92 0.00 0.00 175.35 175.76 2bkc s THR 94 N 1.03 2.02 0.16 2.17 -1.32 -1.26 -4.80 115.64 113.64 2bkc s THR 94 Ca -0.08 0.01 -0.13 0.00 -1.21 0.00 0.00 61.69 60.27 2bkc s THR 94 Cb -0.11 -2.03 0.05 0.00 -1.51 0.00 0.00 72.50 68.90 2bkc s THR 94 CO -0.04 -0.01 1.74 -0.03 -2.21 0.00 0.00 174.62 174.07 2bkc h MET 95 N -2.37 0.77 -0.90 7.08 4.05 -1.99 -2.61 114.93 118.96 2bkc h MET 95 Ca -0.55 -0.12 0.06 0.00 -0.28 0.00 0.00 59.70 58.81 2bkc h MET 95 Cb 1.31 -0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 31.91 2bkc h MET 95 CO 0.46 0.64 0.59 -0.44 0.23 0.00 0.00 176.91 178.39 2bkc h ASP 96 N 0.72 0.92 0.79 1.39 5.19 -1.94 -1.28 116.42 122.20 2bkc h ASP 96 Ca 0.18 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.49 2bkc h ASP 96 Cb 0.13 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 2bkc h ASP 96 CO -0.02 0.60 -0.52 1.56 -3.12 0.00 0.00 179.24 177.74 2bkc h GLN 97 N 1.05 0.00 -0.02 3.56 4.20 -1.85 -0.81 115.11 121.24 2bkc h GLN 97 Ca 0.38 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.07 2bkc h GLN 97 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2bkc h GLN 97 CO -0.13 0.52 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.43 2bkc h LEU 98 N 0.00 0.07 -0.76 1.46 3.38 -1.00 -2.84 115.31 115.63 2bkc h LEU 98 Ca -0.01 -0.61 0.08 0.00 0.09 0.00 0.00 57.88 57.44 2bkc h LEU 98 Cb 1.05 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 2bkc h LEU 98 CO 0.07 0.67 0.42 0.24 0.09 0.00 0.00 178.44 179.92 2bkc h MET 99 N -0.52 0.70 -0.51 1.13 2.86 -1.23 -0.76 114.93 116.60 2bkc h MET 99 Ca -0.00 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.69 2bkc h MET 99 Cb 0.66 -0.16 -0.08 0.00 0.06 0.00 0.00 31.60 32.09 2bkc h MET 99 CO 0.01 0.46 0.06 0.93 1.06 0.00 0.00 176.91 179.43 2bkc h GLU 100 N 0.72 0.18 -0.20 1.72 5.08 -1.16 0.22 114.58 121.14 2bkc h GLU 100 Ca 0.36 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.66 2bkc h GLU 100 Cb 0.31 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2bkc h GLU 100 CO -0.23 0.12 -0.11 0.22 -1.00 0.00 0.00 179.01 178.00 2bkc h ASP 101 N 0.18 0.30 0.01 1.42 3.58 -1.12 -1.03 116.42 119.76 2bkc h ASP 101 Ca 0.26 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 2bkc h ASP 101 Cb 0.38 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2bkc h ASP 101 CO -0.38 0.44 -0.01 0.25 -2.88 0.00 0.00 179.24 176.67 2bkc h LEU 102 N 0.30 -0.01 -0.62 2.28 7.12 0.18 -2.52 115.31 122.03 2bkc h LEU 102 Ca 0.06 -0.37 -0.01 0.00 0.13 0.00 0.00 57.88 57.69 2bkc h LEU 102 Cb 0.38 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.48 2bkc h LEU 102 CO 0.02 0.37 0.37 0.58 -0.13 0.00 0.00 178.44 179.65 2bkc h VAL 103 N -0.39 1.19 -0.98 1.05 2.07 -0.49 0.47 116.25 119.16 2bkc h VAL 103 Ca -0.00 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.11 2bkc h VAL 103 Cb 0.38 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 2bkc h VAL 103 CO 0.00 0.19 0.65 1.23 0.02 0.00 0.00 177.57 179.66 2bkc h GLY 104 N 0.85 1.39 1.89 2.17 0.00 -1.23 0.22 103.07 108.36 2bkc h GLY 104 Ca 0.22 -0.51 -0.20 0.00 0.00 0.00 0.00 47.33 46.84 2bkc h GLY 104 CO -0.04 0.48 -0.95 -0.84 0.00 0.00 0.00 176.54 175.19 2bkc h THR 105 N 1.30 1.59 -0.41 4.70 2.02 -1.10 -1.93 112.91 119.09 2bkc h THR 105 Ca 0.37 -2.99 -0.03 0.00 0.77 0.00 0.00 66.41 64.53 2bkc h THR 105 Cb -0.10 2.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 2bkc h THR 105 CO -0.09 0.86 0.12 -0.07 0.37 0.00 0.00 175.52 176.71 2bkc h LEU 106 N 0.04 0.54 -0.14 2.58 3.38 -0.30 -2.09 115.31 119.32 2bkc h LEU 106 Ca -0.03 -0.07 -0.20 0.00 0.09 0.00 0.00 57.88 57.67 2bkc h LEU 106 Cb 1.64 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.22 2bkc h LEU 106 CO 0.13 0.53 -0.93 -0.33 0.09 0.00 0.00 178.44 177.93 2bkc h GLU 107 N 0.58 0.00 -0.34 1.13 5.08 -0.85 -2.27 114.58 117.92 2bkc h GLU 107 Ca 0.14 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.32 2bkc h GLU 107 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2bkc h GLU 107 CO -0.01 0.93 -0.45 1.25 -1.00 0.00 0.00 179.01 179.74 2bkc h LEU 108 N 0.00 0.98 -0.71 1.33 6.46 -1.04 -2.17 115.31 120.16 2bkc h LEU 108 Ca -0.01 -0.50 -0.14 0.00 -0.12 0.00 0.00 57.88 57.12 2bkc h LEU 108 Cb 1.65 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 41.28 2bkc h LEU 108 CO 0.12 1.28 -0.62 -0.07 -0.62 0.00 0.00 178.44 178.54 2bkc h LEU 109 N 0.71 0.11 0.74 2.25 3.38 -1.34 -1.76 115.31 119.40 2bkc h LEU 109 Ca 0.04 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2bkc h LEU 109 Cb 1.05 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.78 2bkc h LEU 109 CO 0.11 0.70 -0.36 -0.09 0.09 0.00 0.00 178.44 178.89 2bkc h ARG 110 N 0.07 -0.96 -0.99 1.13 2.43 -1.36 0.23 114.38 114.93 2bkc h ARG 110 Ca -0.01 0.07 0.16 0.00 -0.81 0.00 0.00 59.98 59.39 2bkc h ARG 110 Cb 1.11 0.22 -0.09 0.00 -0.42 0.00 0.00 29.97 30.78 2bkc h ARG 110 CO 0.09 -0.62 0.62 -0.44 -1.51 0.00 0.00 179.97 178.10 2bkc h ASP 111 N -1.11 0.80 0.19 -3.80 3.32 -1.36 0.13 116.42 114.60 2bkc h ASP 111 Ca -0.10 0.07 -0.24 0.00 0.02 0.00 0.00 57.03 56.78 2bkc h ASP 111 Cb 0.78 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.26 2bkc h ASP 111 CO 0.17 0.35 -0.96 -0.33 -1.72 0.00 0.00 179.24 176.75 2bkc h GLU 112 N 0.82 0.53 -0.06 3.56 5.08 -1.18 -2.84 114.58 120.49 2bkc h GLU 112 Ca 0.53 -0.55 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2bkc h GLU 112 Cb 0.76 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2bkc h GLU 112 CO -0.31 1.18 -0.15 1.88 -1.00 0.00 0.00 179.01 180.61 2bkc h TYR 113 N 0.31 0.09 -0.43 4.33 -1.99 0.30 -2.24 116.97 117.34 2bkc h TYR 113 Ca -0.09 -0.01 0.04 0.00 2.00 0.00 0.00 58.73 60.67 2bkc h TYR 113 Cb 1.59 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 40.26 2bkc h TYR 113 CO 0.07 0.23 0.20 0.87 -0.00 0.00 0.00 178.16 179.54 2bkc h LYS 114 N 0.08 0.40 -0.51 4.88 1.79 -0.54 -1.04 116.57 121.63 2bkc h LYS 114 Ca 0.02 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 2bkc h LYS 114 Cb 0.31 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 2bkc h LYS 114 CO 0.02 0.27 0.02 1.96 -1.08 0.00 0.00 179.45 180.64 2bkc h GLN 115 N 0.41 0.84 -0.01 3.15 4.20 -1.29 -2.66 115.11 119.75 2bkc h GLN 115 Ca 0.19 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2bkc h GLN 115 Cb 0.10 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2bkc h GLN 115 CO -0.14 0.82 -0.34 0.78 -0.67 0.00 0.00 178.83 179.28 2bkc h GLY 116 N 0.98 0.02 0.64 3.46 0.00 -1.09 -0.84 103.07 106.25 2bkc h GLY 116 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 2bkc h GLY 116 CO 0.02 0.02 -0.23 -2.22 0.00 0.00 0.00 176.54 174.13 2bkc h ILE 117 N 0.02 0.36 -0.88 2.60 2.04 -0.92 -0.20 117.51 120.53 2bkc h ILE 117 Ca -0.00 -0.50 0.22 0.00 1.00 0.00 0.00 64.86 65.57 2bkc h ILE 117 Cb 0.62 0.52 -0.12 0.00 -0.74 0.00 0.00 36.82 37.09 2bkc h ILE 117 CO 0.05 0.06 0.35 -0.33 0.00 0.00 0.00 178.15 178.28 2bkc h GLU 118 N -1.00 0.35 -0.13 2.37 5.08 -1.45 0.07 114.58 119.88 2bkc h GLU 118 Ca -0.06 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.05 2bkc h GLU 118 Cb 0.58 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.76 2bkc h GLU 118 CO 0.11 0.23 -0.79 1.25 -1.00 0.00 0.00 179.01 178.81 2bkc h LEU 119 N 0.37 0.86 -0.83 1.33 5.85 -1.07 -2.75 115.31 119.07 2bkc h LEU 119 Ca 0.55 -0.57 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 2bkc h LEU 119 Cb 1.04 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 2bkc h LEU 119 CO -0.54 1.36 -0.57 0.74 -0.34 0.00 0.00 178.44 179.10 2bkc h THR 120 N 0.49 1.40 -0.13 1.05 2.02 -0.53 -1.86 112.91 115.35 2bkc h THR 120 Ca -0.05 -1.93 -0.00 0.00 0.77 0.00 0.00 66.41 65.19 2bkc h THR 120 Cb 1.41 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 69.83 2bkc h THR 120 CO 0.16 0.56 0.07 -0.78 0.37 0.00 0.00 175.52 175.89 2bkc h ASP 121 N 0.04 0.17 -0.14 4.18 -0.00 -0.99 -1.25 116.42 118.44 2bkc h ASP 121 Ca -0.00 -0.11 -0.08 0.00 -0.00 0.00 0.00 57.03 56.83 2bkc h ASP 121 Cb 1.01 -0.04 -0.02 0.00 -0.00 0.00 0.00 39.33 40.28 2bkc h ASP 121 CO 0.08 0.24 -0.16 0.11 -0.00 0.00 0.00 179.24 179.50 2bkc h LYS 122 N 0.09 0.53 0.00 0.28 1.79 -1.38 -2.14 116.57 115.74 2bkc h LYS 122 Ca 0.05 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 2bkc h LYS 122 Cb 0.11 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 2bkc h LYS 122 CO -0.01 0.68 0.00 0.39 -1.08 0.00 0.00 179.45 179.43 2bkc n GLU 123 N -4.17 0.41 -1.83 3.15 1.02 -0.71 -4.90 120.64 113.61 2bkc n GLU 123 Ca 0.00 0.04 -0.12 0.00 -0.02 0.00 0.00 57.16 57.05 2bkc n GLU 123 Cb 0.35 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 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 0.93 0.56 3.41 0.62 0.00 -0.81 -4.97 105.19 104.93 2bkc n GLY 124 Ca 0.13 -0.40 -0.45 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.64 6.67 0.18 1.61 3.68 -0.50 -4.90 116.67 120.77 2bkc s ASP 125 Ca 0.00 -2.26 -0.04 0.00 2.13 0.00 0.00 52.55 52.38 2bkc s ASP 125 Cb 0.00 -2.34 0.08 0.00 -1.45 0.00 0.00 42.92 39.22 2bkc s ASP 125 CO 0.00 -0.90 1.48 0.44 0.13 0.00 0.00 175.17 176.32 2bkc h ASP 126 N 8.48 0.63 0.24 -0.34 3.32 -1.94 -2.40 116.42 124.42 2bkc h ASP 126 Ca 0.14 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 2bkc h ASP 126 Cb 1.03 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.40 2bkc h ASP 126 CO 0.99 1.07 -0.12 0.58 -1.72 0.00 0.00 179.24 180.04 2bkc h VAL 127 N 0.42 0.82 -0.84 -1.35 2.07 -1.96 -2.06 116.25 113.34 2bkc h VAL 127 Ca -0.00 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.02 2bkc h VAL 127 Cb 1.14 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 2bkc h VAL 127 CO 0.11 0.12 0.55 0.74 0.02 0.00 0.00 177.57 179.11 2bkc h THR 128 N -0.62 1.11 -0.19 2.57 2.02 -1.97 -1.10 112.91 114.73 2bkc h THR 128 Ca -0.03 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 2bkc h THR 128 Cb 0.44 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 2bkc h THR 128 CO 0.05 0.18 0.08 -1.13 0.37 0.00 0.00 175.52 175.08 2bkc h ASN 129 N 1.01 0.26 -0.72 4.18 -0.73 -1.37 -2.03 115.58 116.17 2bkc h ASN 129 Ca 0.34 -0.15 -0.03 0.00 1.87 0.00 0.00 56.30 58.33 2bkc h ASN 129 Cb 0.10 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 38.59 2bkc h ASN 129 CO -0.11 0.34 0.32 -0.78 -0.37 0.00 0.00 177.43 176.82 2bkc h ASP 130 N 0.16 0.97 -0.64 1.15 3.58 -1.14 -2.31 116.42 118.19 2bkc h ASP 130 Ca 0.06 -0.15 0.03 0.00 0.42 0.00 0.00 57.03 57.39 2bkc h ASP 130 Cb 0.16 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.92 2bkc h ASP 130 CO -0.01 0.86 0.40 -0.03 -2.88 0.00 0.00 179.24 177.58 2bkc h MET 131 N 1.02 0.76 -0.25 0.28 4.05 -0.89 -0.83 114.93 119.07 2bkc h MET 131 Ca 0.24 -0.05 -0.13 0.00 -0.28 0.00 0.00 59.70 59.49 2bkc h MET 131 Cb 0.17 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 2bkc h MET 131 CO -0.03 0.50 -0.39 -0.07 0.23 0.00 0.00 176.91 177.16 2bkc h LEU 132 N 0.78 0.62 -0.32 3.39 4.07 -1.22 -2.08 115.31 120.55 2bkc h LEU 132 Ca 0.26 -0.27 -0.04 0.00 0.08 0.00 0.00 57.88 57.90 2bkc h LEU 132 Cb 0.02 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 2bkc h LEU 132 CO -0.10 0.94 0.03 0.40 -1.08 0.00 0.00 178.44 178.62 2bkc h ILE 133 N 0.48 1.25 -0.87 1.22 2.04 -0.82 -0.03 117.51 120.78 2bkc h ILE 133 Ca 0.04 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.06 2bkc h ILE 133 Cb 0.89 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 2bkc h ILE 133 CO 0.08 0.29 0.56 0.00 0.00 0.00 0.00 178.15 179.07 2bkc h ALA 134 N 0.87 1.17 -0.60 1.87 0.00 -0.97 0.12 119.26 121.71 2bkc h ALA 134 Ca 0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2bkc h ALA 134 Cb 0.40 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2bkc h ALA 134 CO 0.01 0.37 0.08 0.74 0.00 0.00 0.00 179.25 180.45 2bkc h PHE 135 N 1.06 1.03 -0.24 0.00 0.05 -1.19 -2.63 116.94 115.01 2bkc h PHE 135 Ca 0.36 -0.13 -0.07 0.00 3.82 0.00 0.00 57.97 61.94 2bkc h PHE 135 Cb 0.06 -0.29 -0.01 0.00 2.00 0.00 0.00 35.95 37.72 2bkc h PHE 135 CO -0.02 0.88 -0.14 -0.22 -0.18 0.00 0.00 178.31 178.63 2bkc h LYS 136 N 0.91 0.53 -0.88 1.51 3.64 -0.04 -1.48 116.57 120.76 2bkc h LYS 136 Ca 0.18 -0.24 0.24 0.00 -1.27 0.00 0.00 60.65 59.56 2bkc h LYS 136 Cb 0.42 -0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 32.09 2bkc h LYS 136 CO 0.01 0.80 0.24 0.00 -2.27 0.00 0.00 179.45 178.23 2bkc h ALA 137 N 0.71 1.29 -0.14 5.00 0.00 -0.68 -0.22 119.26 125.21 2bkc h ALA 137 Ca 0.05 0.22 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 2bkc h ALA 137 Cb 0.66 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2bkc h ALA 137 CO 0.04 -0.47 -0.57 1.03 0.00 0.00 0.00 179.25 179.28 2bkc h SER 138 N 0.21 0.49 0.04 0.00 0.87 -1.02 -2.95 113.55 111.19 2bkc h SER 138 Ca 0.55 -0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2bkc h SER 138 Cb 1.12 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2bkc h SER 138 CO -0.65 0.96 -0.02 0.40 -0.53 0.00 0.00 176.83 176.99 2bkc h ILE 139 N 0.33 1.20 -0.59 2.23 2.04 -0.10 -1.94 117.51 120.68 2bkc h ILE 139 Ca 0.00 -0.79 0.12 0.00 1.00 0.00 0.00 64.86 65.19 2bkc h ILE 139 Cb 1.10 1.73 -0.11 0.00 -0.74 0.00 0.00 36.82 38.80 2bkc h ILE 139 CO 0.10 0.20 -0.07 0.44 0.00 0.00 0.00 178.15 178.82 2bkc h ASP 140 N -0.40 -0.39 0.02 1.72 3.32 -1.18 0.86 116.42 120.36 2bkc h ASP 140 Ca -0.01 0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.23 2bkc h ASP 140 Cb 0.37 0.31 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 2bkc h ASP 140 CO 0.01 -0.15 -0.22 0.50 -1.72 0.00 0.00 179.24 177.66 2bkc h LYS 141 N 0.06 -0.35 -0.82 3.56 3.64 -1.36 -1.92 116.57 119.38 2bkc h LYS 141 Ca 0.30 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.84 2bkc h LYS 141 Cb 0.47 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.28 2bkc h LYS 141 CO -0.55 -0.23 0.40 0.45 -2.27 0.00 0.00 179.45 177.24 2bkc h HIS 142 N -0.36 0.70 -0.53 1.91 3.86 -0.46 -1.19 115.15 119.08 2bkc h HIS 142 Ca 0.05 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 2bkc h HIS 142 Cb 0.43 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 2bkc h HIS 142 CO -0.25 0.16 0.26 0.82 0.86 0.00 0.00 177.93 179.77 2bkc h ILE 143 N 0.58 1.20 -0.42 2.45 2.04 -0.37 -1.08 117.51 121.90 2bkc h ILE 143 Ca 0.44 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.79 2bkc h ILE 143 Cb 0.63 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 2bkc h ILE 143 CO -0.37 0.23 0.13 -0.25 0.00 0.00 0.00 178.15 177.89 2bkc h TRP 144 N 0.72 0.22 -0.07 1.37 7.01 -0.48 -1.50 115.95 123.22 2bkc h TRP 144 Ca 0.18 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.13 2bkc h TRP 144 Cb 0.12 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.15 2bkc h TRP 144 CO -0.00 0.06 -0.25 0.52 -2.79 0.00 0.00 178.44 175.98 2bkc h MET 145 N 0.28 0.28 -0.25 2.65 2.86 -0.93 -0.56 114.93 119.26 2bkc h MET 145 Ca 0.20 -0.22 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 2bkc h MET 145 Cb 0.22 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 2bkc h MET 145 CO -0.23 0.85 -0.21 0.74 1.06 0.00 0.00 176.91 179.12 2bkc h PHE 146 N -0.23 0.70 -0.64 -0.22 -1.00 -1.24 -1.42 116.94 112.90 2bkc h PHE 146 Ca -0.01 -0.20 0.13 0.00 2.81 0.00 0.00 57.97 60.70 2bkc h PHE 146 Cb 0.88 -0.15 -0.11 0.00 3.61 0.00 0.00 35.95 40.18 2bkc h PHE 146 CO 0.13 0.90 -0.04 -0.22 -1.61 0.00 0.00 178.31 177.46 2bkc h LYS 147 N 0.31 0.08 -0.31 1.51 1.63 -1.30 -1.29 116.57 117.19 2bkc h LYS 147 Ca 0.04 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.80 2bkc h LYS 147 Cb 0.76 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.36 2bkc h LYS 147 CO 0.06 0.05 0.04 0.00 -3.45 0.00 0.00 179.45 176.15 2bkc h ALA 148 N 1.60 1.49 -0.76 5.00 0.00 -0.79 0.13 119.26 125.93 2bkc h ALA 148 Ca 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2bkc h ALA 148 Cb 0.53 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2bkc h ALA 148 CO -0.58 0.37 0.43 0.35 0.00 0.00 0.00 179.25 179.82 2bkc h PHE 149 N 0.45 1.04 0.00 0.00 3.57 -0.24 -2.25 116.94 119.52 2bkc h PHE 149 Ca 0.10 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2bkc h PHE 149 Cb 0.24 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.64 2bkc h PHE 149 CO 0.01 0.73 0.00 1.28 -2.23 0.00 0.00 178.31 178.09 2bkc n LEU 150 N -4.45 0.41 -0.65 0.59 4.77 -0.59 -4.86 117.00 112.22 2bkc n LEU 150 Ca 0.07 -0.21 -0.08 0.00 -0.03 0.00 0.00 56.01 55.76 2bkc n LEU 150 Cb 0.09 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 2bkc n LEU 150 CO 0.38 0.10 -0.08 0.61 -1.33 0.00 0.00 177.39 177.07 2bkc n GLY 151 N 0.23 1.00 3.74 -0.72 0.00 -0.84 -5.01 105.19 103.59 2bkc n GLY 151 Ca 0.00 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.50 2.18 0.30 1.61 1.02 -0.06 -4.99 119.74 117.30 2bkc s LYS 152 Ca 0.00 -1.99 0.01 0.00 0.02 0.00 0.00 55.97 54.01 2bkc s LYS 152 Cb 0.00 -1.87 -0.03 0.00 -0.52 0.00 0.00 37.83 35.40 2bkc s LYS 152 CO 0.00 -0.20 0.49 0.00 -0.92 0.00 0.00 175.35 174.72 2bkc s ALA 153 N -2.68 3.76 0.38 5.17 0.00 -1.26 -3.39 121.76 123.73 2bkc s ALA 153 Ca 0.34 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.43 2bkc s ALA 153 Cb 0.04 -2.03 0.74 0.00 0.00 0.00 0.00 23.12 21.87 2bkc s ALA 153 CO 0.19 0.12 1.95 -1.35 0.00 0.00 0.00 175.76 176.67 2bkc h PRO 154 N 1.08 0.47 -0.02 0.00 0.11 -1.86 -3.07 132.00 128.71 2bkc h PRO 154 Ca -0.50 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.54 2bkc h PRO 154 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2bkc h PRO 154 CO 0.63 0.44 -0.05 1.28 -0.21 0.00 0.00 178.00 180.09 2bkc n LEU 155 N -4.35 2.17 0.00 2.35 4.77 -1.26 -4.89 117.00 115.78 2bkc n LEU 155 Ca 0.02 -0.96 0.07 0.00 -0.03 0.00 0.00 56.01 55.10 2bkc n LEU 155 Cb 0.18 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.67 2bkc n LEU 155 CO 0.37 0.39 0.62 1.21 -1.33 0.00 0.00 177.39 178.65