#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 1.99 -0.13 4.52 5.75 -1.26 -4.94 116.55 122.48 2bkc n ASP 8 Ca 0.00 -2.16 -0.13 0.00 -0.01 0.00 0.00 54.79 52.50 2bkc n ASP 8 Cb 0.00 -0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.01 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 0.53 1.27 -0.25 2.12 2.02 -1.99 0.25 112.91 116.87 2bkc h THR 9 Ca -0.21 -1.49 -0.05 0.00 0.77 0.00 0.00 66.41 65.43 2bkc h THR 9 Cb 0.79 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2bkc h THR 9 CO 0.33 0.50 -0.07 0.11 0.37 0.00 0.00 175.52 176.76 2bkc h LYS 10 N 0.74 0.39 -0.06 6.66 1.57 -1.97 -2.00 116.57 121.90 2bkc h LYS 10 Ca 0.07 -0.09 -0.22 0.00 -1.87 0.00 0.00 60.65 58.55 2bkc h LYS 10 Cb 0.91 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.18 2bkc h LYS 10 CO 0.08 0.48 -0.80 1.49 -0.57 0.00 0.00 179.45 180.13 2bkc h GLU 11 N 0.37 0.65 -0.12 3.15 4.81 -1.84 -2.61 114.58 118.99 2bkc h GLU 11 Ca 0.08 -0.62 0.01 0.00 -0.13 0.00 0.00 59.36 58.70 2bkc h GLU 11 Cb 0.37 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2bkc h GLU 11 CO 0.02 1.23 0.06 0.35 -0.73 0.00 0.00 179.01 179.93 2bkc h PHE 12 N 0.30 0.10 -0.68 0.92 3.57 -0.84 -2.12 116.94 118.19 2bkc h PHE 12 Ca -0.08 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2bkc h PHE 12 Cb 1.46 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 40.14 2bkc h PHE 12 CO 0.11 0.06 0.43 -0.07 -2.23 0.00 0.00 178.31 176.61 2bkc h LEU 13 N 0.13 0.80 -0.07 0.59 4.07 -1.40 -1.93 115.31 117.50 2bkc h LEU 13 Ca 0.05 -0.03 -0.25 0.00 0.08 0.00 0.00 57.88 57.73 2bkc h LEU 13 Cb 0.01 -0.20 0.01 0.00 1.08 0.00 0.00 40.66 41.57 2bkc h LEU 13 CO -0.04 0.60 -0.99 -1.13 -1.08 0.00 0.00 178.44 175.80 2bkc h ASN 14 N 0.93 0.79 -0.91 -0.43 -1.24 -1.30 -1.75 115.58 111.67 2bkc h ASN 14 Ca 0.25 -0.62 0.12 0.00 0.71 0.00 0.00 56.30 56.76 2bkc h ASN 14 Cb -0.07 -0.24 -0.08 0.00 0.73 0.00 0.00 38.32 38.66 2bkc h ASN 14 CO -0.05 1.42 0.54 -0.74 -1.29 0.00 0.00 177.43 177.31 2bkc h HIS 15 N 0.35 0.96 -0.01 0.67 2.76 -1.08 -1.69 115.15 117.11 2bkc h HIS 15 Ca -0.11 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 57.94 2bkc h HIS 15 Cb 1.64 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 30.28 2bkc h HIS 15 CO 0.09 0.35 -0.72 1.96 -1.30 0.00 0.00 177.93 178.31 2bkc h GLN 16 N 0.83 0.07 -0.81 5.26 1.08 -0.68 -1.79 115.11 119.08 2bkc h GLN 16 Ca 0.46 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.61 2bkc h GLN 16 Cb 0.51 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.91 2bkc h GLN 16 CO -0.29 0.76 0.53 0.28 -0.95 0.00 0.00 178.83 179.16 2bkc h VAL 17 N 0.05 1.19 0.53 -0.54 2.07 -0.48 -1.03 116.25 118.03 2bkc h VAL 17 Ca -0.01 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 2bkc h VAL 17 Cb 1.27 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2bkc h VAL 17 CO 0.10 0.20 -0.25 0.00 0.02 0.00 0.00 177.57 177.63 2bkc h ALA 18 N 1.31 -0.71 -0.79 1.67 0.00 -1.20 -2.53 119.26 117.01 2bkc h ALA 18 Ca 0.30 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.21 2bkc h ALA 18 Cb -0.10 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 17.82 2bkc h ALA 18 CO -0.08 -0.83 -0.06 -0.91 0.00 0.00 0.00 179.25 177.38 2bkc h ASN 19 N -0.85 -0.49 0.58 0.00 2.35 -1.09 -1.96 115.58 114.12 2bkc h ASN 19 Ca -0.07 0.22 -0.18 0.00 -0.55 0.00 0.00 56.30 55.71 2bkc h ASN 19 Cb 0.60 0.41 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 2bkc h ASN 19 CO 0.12 -0.22 -0.81 -0.07 -1.65 0.00 0.00 177.43 174.79 2bkc h LEU 20 N 0.06 0.21 -0.95 1.61 4.07 -1.20 -1.24 115.31 117.87 2bkc h LEU 20 Ca 0.42 -0.16 -0.10 0.00 0.08 0.00 0.00 57.88 58.12 2bkc h LEU 20 Cb 0.73 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 2bkc h LEU 20 CO -0.74 0.93 -0.31 0.78 -1.08 0.00 0.00 178.44 178.03 2bkc h ASN 21 N 0.10 0.40 -0.08 -0.43 2.35 -1.13 -1.31 115.58 115.48 2bkc h ASN 21 Ca -0.03 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.49 2bkc h ASN 21 Cb 1.41 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.68 2bkc h ASN 21 CO 0.12 0.70 -0.29 0.58 -1.65 0.00 0.00 177.43 176.89 2bkc h VAL 22 N 0.34 1.42 -0.52 2.81 2.07 -1.12 -3.14 116.25 118.12 2bkc h VAL 22 Ca 0.05 -1.67 0.06 0.00 0.82 0.00 0.00 66.70 65.95 2bkc h VAL 22 Cb 0.72 2.29 -0.05 0.00 -1.52 0.00 0.00 31.29 32.72 2bkc h VAL 22 CO 0.05 0.48 0.23 0.15 0.02 0.00 0.00 177.57 178.50 2bkc h PHE 23 N -0.16 0.41 -0.82 1.57 3.57 -1.27 -0.41 116.94 119.83 2bkc h PHE 23 Ca -0.01 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.53 2bkc h PHE 23 Cb 0.92 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 2bkc h PHE 23 CO 0.13 0.17 0.54 1.15 -2.23 0.00 0.00 178.31 178.06 2bkc h THR 24 N 0.44 1.17 -0.20 4.41 2.02 -1.33 0.29 112.91 119.70 2bkc h THR 24 Ca 0.24 -0.37 -0.15 0.00 0.77 0.00 0.00 66.41 66.90 2bkc h THR 24 Cb 0.21 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 2bkc h THR 24 CO -0.21 0.20 -0.50 0.58 0.37 0.00 0.00 175.52 175.96 2bkc h VAL 25 N 1.07 1.32 -0.89 3.16 2.07 -1.38 -2.35 116.25 119.25 2bkc h VAL 25 Ca 0.32 -1.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 2bkc h VAL 25 Cb -0.06 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 2bkc h VAL 25 CO -0.09 0.54 0.55 0.50 0.02 0.00 0.00 177.57 179.09 2bkc h LYS 26 N 0.43 1.19 -0.24 1.57 3.64 -0.31 -0.76 116.57 122.09 2bkc h LYS 26 Ca 0.02 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2bkc h LYS 26 Cb 1.02 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 2bkc h LYS 26 CO 0.09 0.82 0.13 0.82 -2.27 0.00 0.00 179.45 179.04 2bkc h ILE 27 N 1.21 1.01 -0.71 2.00 2.04 -0.15 -0.94 117.51 121.97 2bkc h ILE 27 Ca 0.32 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 66.14 2bkc h ILE 27 Cb -0.08 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 2bkc h ILE 27 CO -0.06 0.05 0.42 0.45 0.00 0.00 0.00 178.15 179.00 2bkc h HIS 28 N 0.27 0.77 -0.51 1.37 3.86 -1.21 -2.00 115.15 117.70 2bkc h HIS 28 Ca 0.10 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.37 2bkc h HIS 28 Cb 0.01 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.20 2bkc h HIS 28 CO -0.09 0.38 0.27 0.37 0.86 0.00 0.00 177.93 179.73 2bkc h GLN 29 N 0.77 0.52 -0.27 2.45 4.15 -0.11 -1.17 115.11 121.45 2bkc h GLN 29 Ca 0.31 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.66 2bkc h GLN 29 Cb 0.16 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 2bkc h GLN 29 CO -0.17 0.34 0.01 0.82 -1.93 0.00 0.00 178.83 177.90 2bkc h ILE 30 N 0.53 1.25 -0.92 2.39 2.04 -1.08 -1.83 117.51 119.89 2bkc h ILE 30 Ca 0.22 -0.88 0.14 0.00 1.00 0.00 0.00 64.86 65.34 2bkc h ILE 30 Cb 0.11 1.31 -0.09 0.00 -0.74 0.00 0.00 36.82 37.40 2bkc h ILE 30 CO -0.14 0.28 0.53 -0.74 0.00 0.00 0.00 178.15 178.08 2bkc h HIS 31 N 0.25 0.94 0.07 1.37 2.76 -1.05 -0.84 115.15 118.67 2bkc h HIS 31 Ca 0.08 0.03 -0.26 0.00 -2.20 0.00 0.00 60.37 58.02 2bkc h HIS 31 Cb 0.40 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 2bkc h HIS 31 CO 0.03 0.28 -1.27 -1.49 -1.30 0.00 0.00 177.93 174.19 2bkc h TRP 32 N 0.77 0.28 -0.02 5.26 6.55 -0.92 -3.31 115.95 124.56 2bkc h TRP 32 Ca 0.49 -0.21 0.00 0.00 0.95 0.00 0.00 58.89 60.13 2bkc h TRP 32 Cb 0.63 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.92 2bkc h TRP 32 CO -0.05 1.19 -0.33 0.66 -1.05 0.00 0.00 178.44 178.86 2bkc n TYR 33 N -3.41 0.00 -2.05 0.49 4.02 -0.71 -5.00 117.16 110.49 2bkc n TYR 33 Ca -0.08 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.43 2bkc n TYR 33 Cb 1.00 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.33 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 -2.20 3.64 -0.02 -0.72 0.23 -0.33 -4.97 119.30 114.94 2bkc s MET 34 Ca 0.19 2.03 -0.08 0.00 -1.03 0.00 0.00 55.69 56.81 2bkc s MET 34 Cb 0.17 -2.47 0.01 0.00 -1.53 0.00 0.00 34.83 31.01 2bkc s MET 34 CO 0.47 -0.72 0.16 1.03 -2.03 0.00 0.00 175.02 173.92 2bkc s ARG 35 N -2.62 0.42 0.00 3.16 0.52 -1.26 -4.97 118.95 114.20 2bkc s ARG 35 Ca 0.64 -0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.63 2bkc s ARG 35 Cb -0.35 0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.30 2bkc s ARG 35 CO 0.43 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 176.06 2bkc n GLY 36 N 1.84 0.76 0.31 -3.53 0.00 -1.26 -4.36 105.19 98.97 2bkc n GLY 36 Ca -0.20 -2.19 0.12 0.00 0.00 0.00 0.00 46.02 43.75 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 0.06 -0.48 1.61 3.86 -2.06 -1.99 115.15 116.15 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 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.45 2bkc h HIS 37 CO 0.00 0.03 0.00 0.09 0.86 0.00 0.00 177.93 178.91 2bkc n ASN 38 N -4.47 4.02 -0.21 2.45 4.13 -1.26 -4.51 115.26 115.40 2bkc n ASN 38 Ca 0.03 -2.45 0.00 0.00 1.68 0.00 0.00 54.58 53.84 2bkc n ASN 38 Cb 0.29 -0.55 0.11 0.00 -1.54 0.00 0.00 39.78 38.10 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 3.11 0.41 -0.07 3.10 3.57 -1.67 -0.81 116.94 124.58 2bkc h PHE 39 Ca 0.00 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 2bkc h PHE 39 Cb 1.31 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 39.97 2bkc h PHE 39 CO 0.67 0.10 -0.53 0.74 -2.23 0.00 0.00 178.31 177.06 2bkc h PHE 40 N 0.42 0.66 -0.09 0.41 -1.00 -1.85 -1.08 116.94 114.40 2bkc h PHE 40 Ca 0.32 -0.31 -0.24 0.00 2.81 0.00 0.00 57.97 60.54 2bkc h PHE 40 Cb 0.39 -0.09 0.01 0.00 3.61 0.00 0.00 35.95 39.87 2bkc h PHE 40 CO -0.17 1.10 -0.89 0.00 -1.61 0.00 0.00 178.31 176.74 2bkc h THR 41 N 0.03 1.28 0.05 -1.55 1.03 -1.87 -2.38 112.91 109.51 2bkc h THR 41 Ca -0.05 -2.10 -0.26 0.00 -0.01 0.00 0.00 66.41 64.00 2bkc h THR 41 Cb 1.19 2.15 0.01 0.00 -1.07 0.00 0.00 68.15 70.44 2bkc h THR 41 CO 0.11 0.66 -1.09 -0.07 -0.01 0.00 0.00 175.52 175.11 2bkc h LEU 42 N 0.48 0.67 -0.65 0.00 4.07 -1.26 -1.95 115.31 116.66 2bkc h LEU 42 Ca -0.08 -0.59 0.14 0.00 0.08 0.00 0.00 57.88 57.43 2bkc h LEU 42 Cb 1.53 -0.21 -0.11 0.00 1.08 0.00 0.00 40.66 42.96 2bkc h LEU 42 CO 0.18 1.40 0.04 1.23 -1.08 0.00 0.00 178.44 180.21 2bkc h GLY 43 N 0.90 0.75 1.91 0.83 0.00 -1.22 0.18 103.07 106.42 2bkc h GLY 43 Ca -0.13 0.05 -0.15 0.00 0.00 0.00 0.00 47.33 47.11 2bkc h GLY 43 CO 0.20 -0.20 -0.67 -2.09 0.00 0.00 0.00 176.54 173.77 2bkc h GLU 44 N 0.15 0.09 -0.54 4.80 4.81 -1.32 -2.45 114.58 120.12 2bkc h GLU 44 Ca 0.35 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.43 2bkc h GLU 44 Cb 0.57 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2bkc h GLU 44 CO -0.53 0.73 0.03 0.87 -0.73 0.00 0.00 179.01 179.38 2bkc h LYS 45 N 0.06 0.90 -0.34 1.92 6.56 -0.53 -2.60 116.57 122.54 2bkc h LYS 45 Ca -0.01 -0.24 -0.08 0.00 -1.06 0.00 0.00 60.65 59.25 2bkc h LYS 45 Cb 1.20 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 32.73 2bkc h LYS 45 CO 0.09 0.88 -0.13 0.52 -2.06 0.00 0.00 179.45 178.75 2bkc h MET 46 N 0.84 0.60 -0.80 3.15 2.86 -0.38 -1.67 114.93 119.52 2bkc h MET 46 Ca 0.16 -0.19 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2bkc h MET 46 Cb 0.45 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 2bkc h MET 46 CO 0.02 0.71 0.53 -0.44 1.06 0.00 0.00 176.91 178.79 2bkc h ASP 47 N 0.54 0.90 -0.36 1.22 3.32 -1.27 -0.56 116.42 120.21 2bkc h ASP 47 Ca 0.10 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 2bkc h ASP 47 Cb 0.55 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2bkc h ASP 47 CO 0.03 0.64 0.01 0.44 -1.72 0.00 0.00 179.24 178.65 2bkc h ASP 48 N 1.06 0.61 -0.57 6.45 3.32 -1.20 -2.90 116.42 123.20 2bkc h ASP 48 Ca 0.30 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2bkc h ASP 48 Cb -0.09 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 2bkc h ASP 48 CO -0.08 0.76 0.09 -0.07 -1.72 0.00 0.00 179.24 178.23 2bkc h LEU 49 N 0.45 0.91 -0.42 1.55 4.07 -1.13 -1.53 115.31 119.21 2bkc h LEU 49 Ca 0.10 -0.26 0.06 0.00 0.08 0.00 0.00 57.88 57.86 2bkc h LEU 49 Cb 0.44 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 41.89 2bkc h LEU 49 CO 0.02 0.94 0.12 0.22 -1.08 0.00 0.00 178.44 178.66 2bkc h TYR 50 N 0.85 0.20 0.00 1.13 5.03 -1.09 0.38 116.97 123.47 2bkc h TYR 50 Ca 0.17 0.02 -0.18 0.00 2.58 0.00 0.00 58.73 61.33 2bkc h TYR 50 Cb 0.42 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.64 2bkc h TYR 50 CO 0.03 0.06 -0.88 0.66 -1.32 0.00 0.00 178.16 176.71 2bkc h SER 51 N 0.27 0.00 -0.30 -2.11 4.64 -1.42 -2.04 113.55 112.59 2bkc h SER 51 Ca 0.20 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.45 2bkc h SER 51 Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2bkc h SER 51 CO -0.23 0.84 -0.08 -0.08 -0.87 0.00 0.00 176.83 176.41 2bkc h GLU 52 N 0.00 0.58 0.00 4.77 4.81 -0.89 -1.01 114.58 122.85 2bkc h GLU 52 Ca -0.02 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 58.91 2bkc h GLU 52 Cb 1.66 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.00 2bkc h GLU 52 CO 0.11 0.78 -0.36 0.74 -0.73 0.00 0.00 179.01 179.55 2bkc h PHE 53 N 0.34 0.00 -0.39 0.92 -1.00 -0.28 -1.39 116.94 115.15 2bkc h PHE 53 Ca 0.07 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.78 2bkc h PHE 53 Cb 0.57 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.12 2bkc h PHE 53 CO 0.05 0.36 -0.05 0.78 -1.61 0.00 0.00 178.31 177.83 2bkc h GLY 54 N 2.88 0.78 0.97 -1.45 0.00 -1.34 -1.83 103.07 103.08 2bkc h GLY 54 Ca -0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 2bkc h GLY 54 CO 0.05 0.56 0.25 0.83 0.00 0.00 0.00 176.54 178.23 2bkc h GLU 55 N 0.53 0.70 -0.65 4.80 4.39 -0.92 -0.93 114.58 122.49 2bkc h GLU 55 Ca 0.10 -0.09 0.07 0.00 0.34 0.00 0.00 59.36 59.78 2bkc h GLU 55 Cb 0.55 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.01 2bkc h GLU 55 CO 0.03 0.57 0.33 1.96 -1.16 0.00 0.00 179.01 180.74 2bkc h GLN 56 N 0.65 0.57 -0.68 2.33 4.20 -1.19 -1.39 115.11 119.60 2bkc h GLN 56 Ca 0.17 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.85 2bkc h GLN 56 Cb 0.09 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2bkc h GLN 56 CO -0.02 0.38 0.45 1.98 -0.67 0.00 0.00 178.83 180.94 2bkc h MET 57 N 0.59 0.91 -0.30 1.46 4.05 -1.02 -0.61 114.93 120.01 2bkc h MET 57 Ca 0.31 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.67 2bkc h MET 57 Cb 0.27 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 2bkc h MET 57 CO -0.23 0.61 0.19 -0.44 0.23 0.00 0.00 176.91 177.27 2bkc h ASP 58 N 0.93 0.36 -0.46 1.39 3.45 -0.68 -1.09 116.42 120.31 2bkc h ASP 58 Ca 0.25 -0.03 -0.05 0.00 0.43 0.00 0.00 57.03 57.63 2bkc h ASP 58 Cb -0.10 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.57 2bkc h ASP 58 CO -0.05 0.28 0.10 -0.08 -1.57 0.00 0.00 179.24 177.92 2bkc h GLU 59 N 0.40 0.75 0.21 3.56 4.57 -1.00 -0.39 114.58 122.67 2bkc h GLU 59 Ca 0.11 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2bkc h GLU 59 Cb -0.01 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 2bkc h GLU 59 CO -0.02 0.75 -0.17 0.28 -1.18 0.00 0.00 179.01 178.67 2bkc h VAL 60 N 0.63 0.64 -0.79 0.32 2.07 -1.09 0.89 116.25 118.91 2bkc h VAL 60 Ca 0.14 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.74 2bkc h VAL 60 Cb 0.35 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 2bkc h VAL 60 CO 0.00 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.05 2bkc h ALA 61 N 0.38 1.10 0.00 1.67 0.00 -1.06 -0.51 119.26 120.84 2bkc h ALA 61 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2bkc h ALA 61 Cb 0.35 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2bkc h ALA 61 CO -0.02 0.13 -0.05 0.93 0.00 0.00 0.00 179.25 180.24 2bkc h GLU 62 N 0.80 0.00 -0.00 0.00 5.08 -0.90 -2.25 114.58 117.31 2bkc h GLU 62 Ca 0.37 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.55 2bkc h GLU 62 Cb 0.27 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.53 2bkc h GLU 62 CO -0.21 0.05 -0.70 -0.09 -1.00 0.00 0.00 179.01 177.06 2bkc h ARG 63 N 0.00 0.48 -0.72 2.33 9.65 0.32 -2.61 114.38 123.83 2bkc h ARG 63 Ca -0.00 -0.51 0.09 0.00 -1.10 0.00 0.00 59.98 58.46 2bkc h ARG 63 Cb 0.87 0.14 -0.07 0.00 -1.39 0.00 0.00 29.97 29.53 2bkc h ARG 63 CO 0.01 1.15 0.38 1.25 2.80 0.00 0.00 179.97 185.56 2bkc h LEU 64 N 0.02 0.51 -0.69 3.80 5.85 -1.07 -1.34 115.31 122.39 2bkc h LEU 64 Ca -0.09 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 2bkc h LEU 64 Cb 1.40 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.36 2bkc h LEU 64 CO 0.14 0.30 0.22 -0.07 -0.34 0.00 0.00 178.44 178.69 2bkc h LEU 65 N 0.64 1.00 -1.74 2.25 4.07 -1.43 0.27 115.31 120.38 2bkc h LEU 65 Ca 0.35 -0.21 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 2bkc h LEU 65 Cb 0.34 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 2bkc h LEU 65 CO -0.25 0.94 -0.10 0.00 -1.08 0.00 0.00 178.44 177.95 2bkc h ALA 66 N 1.10 1.11 -0.51 1.53 0.00 -0.86 -2.02 119.26 119.62 2bkc h ALA 66 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2bkc h ALA 66 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2bkc h ALA 66 CO -0.01 0.13 0.00 0.44 0.00 0.00 0.00 179.25 179.81 2bkc n ILE 67 N -3.37 2.05 -0.61 0.00 -5.35 -0.88 -4.95 119.36 106.25 2bkc n ILE 67 Ca -0.01 -1.38 0.00 0.00 -0.27 0.00 0.00 62.75 61.09 2bkc n ILE 67 Cb 0.28 -0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 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 0.56 1.02 3.47 3.28 0.00 -0.76 -5.06 105.19 107.71 2bkc n GLY 68 Ca 0.24 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.73 1.97 2.59 -0.02 0.00 0.07 -5.00 105.19 103.06 2bkc n GLY 69 Ca 0.00 -2.22 -0.29 0.00 0.00 0.00 0.00 46.02 43.51 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 -4.19 3.65 0.33 1.61 0.01 -1.26 -4.46 113.70 109.40 2bkc s SER 70 Ca 0.54 -1.40 -0.29 0.00 1.31 0.00 0.00 55.95 56.10 2bkc s SER 70 Cb -0.04 -0.48 -0.12 0.00 0.21 0.00 0.00 66.02 65.59 2bkc s SER 70 CO 0.34 -0.43 1.51 -2.65 0.41 0.00 0.00 173.24 172.42 2bkc n PRO 71 N 5.12 2.58 -1.72 12.44 -0.02 -1.26 -4.98 135.00 147.16 2bkc n PRO 71 Ca -0.05 0.91 -0.41 0.00 -2.02 0.00 0.00 63.50 61.94 2bkc n PRO 71 Cb 0.42 -2.64 0.01 0.00 -0.02 0.00 0.00 33.50 31.26 2bkc n PRO 71 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2bkc n PHE 72 N 1.25 2.32 -2.29 6.00 0.99 -1.26 -4.93 117.46 119.54 2bkc n PHE 72 Ca 0.05 0.49 -0.01 0.00 -0.00 0.00 0.00 57.45 57.98 2bkc n PHE 72 Cb 0.37 -2.41 -0.02 0.00 -1.00 0.00 0.00 39.48 36.43 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 0.20 0.02 -4.01 4.37 3.41 -1.26 -4.98 113.62 111.37 2bkc n SER 73 Ca 0.06 -2.01 -0.08 0.00 -0.26 0.00 0.00 58.87 56.58 2bkc n SER 73 Cb 0.40 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.14 0.17 0.19 6.66 -4.23 -1.26 -5.04 115.64 111.99 2bkc s THR 74 Ca 0.17 -1.37 -0.12 0.00 -1.18 0.00 0.00 61.69 59.19 2bkc s THR 74 Cb 0.21 -1.00 0.10 0.00 1.34 0.00 0.00 72.50 73.15 2bkc s THR 74 CO -0.09 -0.75 1.85 -0.07 -0.54 0.00 0.00 174.62 175.02 2bkc h LEU 75 N 3.70 0.73 -0.47 4.79 4.07 -1.99 -1.48 115.31 124.65 2bkc h LEU 75 Ca -0.33 -0.03 0.07 0.00 0.08 0.00 0.00 57.88 57.67 2bkc h LEU 75 Cb 1.17 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.67 2bkc h LEU 75 CO 0.55 0.54 0.12 0.50 -1.08 0.00 0.00 178.44 179.07 2bkc h LYS 76 N 0.85 0.26 -0.34 1.13 3.64 -2.00 -1.08 116.57 119.03 2bkc h LYS 76 Ca 0.23 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 2bkc h LYS 76 Cb -0.08 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2bkc h LYS 76 CO -0.05 0.17 -0.30 0.93 -2.27 0.00 0.00 179.45 177.93 2bkc h GLU 77 N 0.27 0.73 -0.43 1.90 5.08 -1.87 -2.57 114.58 117.69 2bkc h GLU 77 Ca 0.23 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2bkc h GLU 77 Cb 0.28 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2bkc h GLU 77 CO -0.28 0.94 0.21 0.74 -1.00 0.00 0.00 179.01 179.62 2bkc h PHE 78 N 0.62 0.62 -0.76 4.33 0.05 -0.61 -2.54 116.94 118.65 2bkc h PHE 78 Ca 0.07 -0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.79 2bkc h PHE 78 Cb 0.82 -0.19 -0.03 0.00 2.00 0.00 0.00 35.95 38.54 2bkc h PHE 78 CO 0.04 0.50 0.29 -0.07 -0.18 0.00 0.00 178.31 178.89 2bkc h LEU 79 N 0.55 1.06 -1.18 1.54 3.38 -1.13 0.12 115.31 119.65 2bkc h LEU 79 Ca 0.15 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2bkc h LEU 79 Cb 0.12 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2bkc h LEU 79 CO -0.02 0.95 -0.11 -0.33 0.09 0.00 0.00 178.44 179.02 2bkc h GLU 80 N 1.10 0.00 0.00 1.13 5.08 -1.39 -3.34 114.58 117.17 2bkc h GLU 80 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2bkc h GLU 80 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2bkc h GLU 80 CO -0.02 0.11 -1.21 0.09 -1.00 0.00 0.00 179.01 176.98 2bkc n ASN 81 N -3.24 2.26 -4.75 1.42 4.13 -0.97 -5.02 115.26 109.10 2bkc n ASN 81 Ca 0.01 -0.16 -0.40 0.00 1.68 0.00 0.00 54.58 55.70 2bkc n ASN 81 Cb 0.38 1.34 -0.05 0.00 -1.54 0.00 0.00 39.78 39.91 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 -2.49 3.35 -0.39 5.41 0.00 0.00 -4.85 121.76 122.80 2bkc s ALA 82 Ca -0.02 0.71 0.23 0.00 0.00 0.00 0.00 51.96 52.88 2bkc s ALA 82 Cb 0.06 -3.26 0.15 0.00 0.00 0.00 0.00 23.12 20.08 2bkc s ALA 82 CO 0.40 0.06 1.20 0.66 0.00 0.00 0.00 175.76 178.08 2bkc h SER 83 N 4.23 0.00 -3.40 0.00 4.64 -1.90 -3.47 113.55 113.65 2bkc h SER 83 Ca -0.45 -0.07 -0.53 0.00 -0.47 0.00 0.00 61.79 60.27 2bkc h SER 83 Cb 1.20 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.36 2bkc h SER 83 CO 0.68 0.03 0.79 -0.69 -0.87 0.00 0.00 176.83 176.77 2bkc s VAL 84 N -3.28 2.50 0.01 0.95 1.01 -1.26 -5.01 120.40 115.32 2bkc s VAL 84 Ca 0.03 0.43 -0.03 0.00 0.00 0.00 0.00 61.98 62.40 2bkc s VAL 84 Cb 0.10 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2bkc s VAL 84 CO 0.75 0.07 0.22 -1.61 0.00 0.00 0.00 175.10 174.53 2bkc s GLU 85 N -0.51 3.48 0.02 2.72 0.41 -1.26 -4.99 118.70 118.57 2bkc s GLU 85 Ca 0.60 -0.27 0.01 0.00 -0.41 0.00 0.00 54.97 54.90 2bkc s GLU 85 Cb -0.43 -3.07 -0.01 0.00 -1.78 0.00 0.00 34.13 28.83 2bkc s GLU 85 CO 0.45 0.65 -0.05 -1.83 -0.49 0.00 0.00 175.26 173.99 2bkc s GLU 86 N -2.03 0.35 0.00 1.61 -1.05 -1.26 -4.99 118.70 111.34 2bkc s GLU 86 Ca 0.29 -0.47 -0.01 0.00 -0.15 0.00 0.00 54.97 54.63 2bkc s GLU 86 Cb -0.13 -0.15 -0.01 0.00 -0.44 0.00 0.00 34.13 33.41 2bkc s GLU 86 CO 0.20 0.02 0.01 0.00 0.95 0.00 0.00 175.26 176.45 2bkc s ALA 87 N -0.92 -0.01 0.84 -0.84 0.00 -1.26 -5.15 121.76 114.42 2bkc s ALA 87 Ca -0.08 -0.25 -0.12 0.00 0.00 0.00 0.00 51.96 51.51 2bkc s ALA 87 Cb -0.07 0.06 0.10 0.00 0.00 0.00 0.00 23.12 23.21 2bkc s ALA 87 CO -0.00 -0.10 1.19 -2.14 0.00 0.00 0.00 175.76 174.71 2bkc s PRO 88 N -0.82 1.45 -0.68 0.00 0.02 -1.26 -4.93 135.00 128.78 2bkc s PRO 88 Ca -0.09 1.70 -0.25 0.00 0.02 0.00 0.00 61.00 62.39 2bkc s PRO 88 Cb -0.06 -1.76 0.05 0.00 0.02 0.00 0.00 34.50 32.75 2bkc s PRO 88 CO -0.00 -2.34 1.10 -0.47 -0.33 0.00 0.00 177.00 174.95 2bkc s TYR 89 N -2.29 2.53 -0.05 6.54 5.04 -1.26 -4.78 117.35 123.08 2bkc s TYR 89 Ca 0.71 -0.26 -0.06 0.00 -2.44 0.00 0.00 57.07 55.03 2bkc s TYR 89 Cb -0.27 -4.42 -0.02 0.00 0.35 0.00 0.00 41.96 37.61 2bkc s TYR 89 CO 0.53 -1.79 -0.11 0.25 -1.34 0.00 0.00 175.55 173.09 2bkc n THR 90 N 6.17 0.59 -2.89 4.34 -2.24 -1.26 -5.03 114.28 113.95 2bkc n THR 90 Ca -0.00 0.31 -0.40 0.00 -2.27 0.00 0.00 64.05 61.69 2bkc n THR 90 Cb 0.47 -1.71 -0.06 0.00 -2.10 0.00 0.00 70.33 66.93 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 -1.70 4.67 0.14 -0.78 2.20 -1.26 -5.03 119.74 117.98 2bkc s LYS 91 Ca -0.09 1.28 -0.34 0.00 -0.36 0.00 0.00 55.97 56.46 2bkc s LYS 91 Cb 0.01 -3.28 -0.16 0.00 -1.51 0.00 0.00 37.83 32.88 2bkc s LYS 91 CO 0.14 0.51 1.16 -2.30 -0.36 0.00 0.00 175.35 174.49 2bkc n PRO 92 N 1.74 0.99 -4.43 4.03 -0.02 -1.26 -5.02 135.00 131.04 2bkc n PRO 92 Ca -0.04 0.36 -0.26 0.00 -2.02 0.00 0.00 63.50 61.54 2bkc n PRO 92 Cb 0.48 -1.86 -0.17 0.00 -0.02 0.00 0.00 33.50 31.93 2bkc n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2bkc s LYS 93 N -0.19 1.86 0.64 -0.52 3.01 -1.26 -5.13 119.74 118.15 2bkc s LYS 93 Ca 0.77 -0.44 -0.18 0.00 -1.01 0.00 0.00 55.97 55.11 2bkc s LYS 93 Cb -0.92 -1.61 -0.02 0.00 -1.01 0.00 0.00 37.83 34.27 2bkc s LYS 93 CO 0.52 -0.06 1.09 2.41 0.51 0.00 0.00 175.35 179.82 2bkc n THR 94 N 4.15 4.11 -0.30 2.17 -1.04 -1.26 -4.79 114.28 117.32 2bkc n THR 94 Ca -0.20 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 2bkc n THR 94 Cb 0.51 -1.27 0.13 0.00 -1.82 0.00 0.00 70.33 67.89 2bkc n THR 94 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 2bkc h MET 95 N 0.36 0.93 -0.57 -2.82 4.05 -1.99 -1.70 114.93 113.19 2bkc h MET 95 Ca -0.49 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 58.91 2bkc h MET 95 Cb 1.35 -0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 31.90 2bkc h MET 95 CO 0.51 0.61 0.32 -0.44 0.23 0.00 0.00 176.91 178.14 2bkc h ASP 96 N 0.96 0.49 -0.66 1.39 5.19 -1.95 -1.17 116.42 120.66 2bkc h ASP 96 Ca 0.36 0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.80 2bkc h ASP 96 Cb 0.16 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.55 2bkc h ASP 96 CO -0.17 0.33 0.44 1.56 -3.12 0.00 0.00 179.24 178.29 2bkc h GLN 97 N 0.61 0.87 -0.27 3.56 4.20 -1.70 -0.88 115.11 121.51 2bkc h GLN 97 Ca 0.24 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 2bkc h GLN 97 Cb 0.10 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 2bkc h GLN 97 CO -0.14 0.58 -0.15 -0.07 -0.67 0.00 0.00 178.83 178.38 2bkc h LEU 98 N 0.90 0.45 -0.91 1.46 3.38 -1.13 -2.54 115.31 116.92 2bkc h LEU 98 Ca 0.24 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 2bkc h LEU 98 Cb -0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2bkc h LEU 98 CO -0.05 0.63 -0.33 0.24 0.09 0.00 0.00 178.44 179.01 2bkc h MET 99 N 0.42 0.00 0.00 1.13 2.86 -0.74 -2.13 114.93 116.47 2bkc h MET 99 Ca 0.08 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.55 2bkc h MET 99 Cb 0.52 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 2bkc h MET 99 CO 0.03 0.33 -0.77 0.93 1.06 0.00 0.00 176.91 178.50 2bkc h GLU 100 N 0.00 0.00 0.12 1.72 5.08 -0.86 0.70 114.58 121.35 2bkc h GLU 100 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2bkc h GLU 100 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2bkc h GLU 100 CO 0.04 0.77 -0.06 0.22 -1.00 0.00 0.00 179.01 178.98 2bkc h ASP 101 N 0.00 -0.14 -0.70 1.42 3.58 -1.39 -1.01 116.42 118.19 2bkc h ASP 101 Ca -0.01 -0.37 0.13 0.00 0.42 0.00 0.00 57.03 57.20 2bkc h ASP 101 Cb 1.38 0.04 -0.13 0.00 1.72 0.00 0.00 39.33 42.34 2bkc h ASP 101 CO 0.10 0.33 -0.27 0.25 -2.88 0.00 0.00 179.24 176.77 2bkc h LEU 102 N -0.65 -0.97 -0.08 2.28 6.46 -1.33 0.67 115.31 121.68 2bkc h LEU 102 Ca -0.02 0.23 -0.02 0.00 -0.12 0.00 0.00 57.88 57.96 2bkc h LEU 102 Cb 0.50 0.54 -0.00 0.00 -0.73 0.00 0.00 40.66 40.97 2bkc h LEU 102 CO 0.03 -0.28 -0.03 0.58 -0.62 0.00 0.00 178.44 178.12 2bkc h VAL 103 N -0.08 1.30 -0.79 1.05 2.07 -0.86 -0.85 116.25 118.10 2bkc h VAL 103 Ca 0.30 -0.97 0.16 0.00 0.82 0.00 0.00 66.70 67.01 2bkc h VAL 103 Cb 0.55 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 2bkc h VAL 103 CO -0.75 0.27 0.53 1.23 0.02 0.00 0.00 177.57 178.87 2bkc h GLY 104 N -0.18 0.76 1.57 2.17 0.00 -0.62 -1.15 103.07 105.61 2bkc h GLY 104 Ca 0.02 -0.18 -0.24 0.00 0.00 0.00 0.00 47.33 46.93 2bkc h GLY 104 CO 0.01 0.05 -1.01 -0.84 0.00 0.00 0.00 176.54 174.74 2bkc h THR 105 N 0.42 1.43 -0.57 4.70 2.02 -0.10 -2.70 112.91 118.11 2bkc h THR 105 Ca 0.40 -2.60 -0.09 0.00 0.77 0.00 0.00 66.41 64.89 2bkc h THR 105 Cb 0.92 2.55 -0.02 0.00 -1.74 0.00 0.00 68.15 69.86 2bkc h THR 105 CO -0.13 0.77 -0.02 -0.07 0.37 0.00 0.00 175.52 176.44 2bkc h LEU 106 N 0.19 0.98 -0.71 2.58 3.38 -0.47 -2.41 115.31 118.85 2bkc h LEU 106 Ca -0.09 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 2bkc h LEU 106 Cb 1.67 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 2bkc h LEU 106 CO 0.17 1.04 0.24 -0.33 0.09 0.00 0.00 178.44 179.66 2bkc h GLU 107 N 0.91 1.10 0.21 1.13 5.08 -1.24 -0.66 114.58 121.10 2bkc h GLU 107 Ca 0.16 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2bkc h GLU 107 Cb 0.56 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2bkc h GLU 107 CO 0.03 0.93 -0.20 1.25 -1.00 0.00 0.00 179.01 180.02 2bkc h LEU 108 N 1.04 -0.55 -0.95 1.33 6.46 -1.31 -1.38 115.31 119.96 2bkc h LEU 108 Ca 0.23 0.05 0.02 0.00 -0.12 0.00 0.00 57.88 58.07 2bkc h LEU 108 Cb 0.27 0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.34 2bkc h LEU 108 CO -0.01 -0.31 0.62 -0.07 -0.62 0.00 0.00 178.44 178.06 2bkc h LEU 109 N -0.45 1.06 -0.31 2.25 3.38 -1.25 -0.95 115.31 119.04 2bkc h LEU 109 Ca -0.00 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2bkc h LEU 109 Cb 0.42 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2bkc h LEU 109 CO -0.05 0.75 0.20 -0.09 0.09 0.00 0.00 178.44 179.34 2bkc h ARG 110 N 1.24 0.40 -0.28 1.13 2.43 -0.95 0.51 114.38 118.86 2bkc h ARG 110 Ca 0.36 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.40 2bkc h ARG 110 Cb -0.08 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2bkc h ARG 110 CO -0.10 0.26 -0.30 -0.44 -1.51 0.00 0.00 179.97 177.89 2bkc h ASP 111 N 0.41 0.58 0.43 -3.80 3.32 -0.78 -1.19 116.42 115.40 2bkc h ASP 111 Ca 0.12 -0.22 -0.23 0.00 0.02 0.00 0.00 57.03 56.72 2bkc h ASP 111 Cb -0.03 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 2bkc h ASP 111 CO -0.04 0.85 -0.97 -0.33 -1.72 0.00 0.00 179.24 177.03 2bkc h GLU 112 N 0.49 0.34 -0.53 3.56 5.08 -1.06 -2.79 114.58 119.68 2bkc h GLU 112 Ca 0.06 -0.40 -0.07 0.00 -1.00 0.00 0.00 59.36 57.95 2bkc h GLU 112 Cb 0.76 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 2bkc h GLU 112 CO 0.06 1.09 0.05 1.88 -1.00 0.00 0.00 179.01 181.09 2bkc h TYR 113 N 0.18 0.92 -0.40 4.33 -1.99 -0.78 -1.05 116.97 118.18 2bkc h TYR 113 Ca -0.08 -0.12 0.08 0.00 2.00 0.00 0.00 58.73 60.61 2bkc h TYR 113 Cb 1.62 -0.26 -0.07 0.00 2.00 0.00 0.00 36.73 40.02 2bkc h TYR 113 CO 0.05 0.82 -0.06 -0.22 -0.00 0.00 0.00 178.16 178.75 2bkc h LYS 114 N 0.82 0.04 -0.62 4.88 1.63 -1.16 0.17 116.57 122.33 2bkc h LYS 114 Ca 0.16 -0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.89 2bkc h LYS 114 Cb 0.42 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 2bkc h LYS 114 CO 0.01 0.02 0.09 1.96 -3.45 0.00 0.00 179.45 178.09 2bkc h GLN 115 N 0.04 1.01 0.00 1.90 4.20 -1.12 -1.84 115.11 119.29 2bkc h GLN 115 Ca 0.19 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2bkc h GLN 115 Cb 0.29 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 2bkc h GLN 115 CO -0.38 0.93 -0.12 0.78 -0.67 0.00 0.00 178.83 179.37 2bkc h GLY 116 N 1.03 0.00 0.60 3.46 0.00 -1.00 -1.42 103.07 105.74 2bkc h GLY 116 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.42 2bkc h GLY 116 CO 0.01 0.00 -0.38 -2.22 0.00 0.00 0.00 176.54 173.95 2bkc h ILE 117 N 0.00 1.49 0.26 2.60 2.04 -0.18 -2.60 117.51 121.11 2bkc h ILE 117 Ca -0.00 -1.95 0.01 0.00 1.00 0.00 0.00 64.86 63.91 2bkc h ILE 117 Cb 0.58 2.63 -0.03 0.00 -0.74 0.00 0.00 36.82 39.27 2bkc h ILE 117 CO 0.02 0.55 -0.32 -0.33 0.00 0.00 0.00 178.15 178.07 2bkc h GLU 118 N -0.31 -0.60 -0.75 2.37 5.08 -1.35 -2.68 114.58 116.34 2bkc h GLU 118 Ca -0.04 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2bkc h GLU 118 Cb 1.10 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 2bkc h GLU 118 CO 0.08 -0.40 0.49 1.25 -1.00 0.00 0.00 179.01 179.43 2bkc h LEU 119 N -0.63 0.66 0.00 1.33 6.46 -1.31 -1.49 115.31 120.34 2bkc h LEU 119 Ca -0.00 0.01 -0.14 0.00 -0.12 0.00 0.00 57.88 57.62 2bkc h LEU 119 Cb 0.59 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 2bkc h LEU 119 CO -0.10 0.42 -0.78 0.00 -0.62 0.00 0.00 178.44 177.35 2bkc h THR 120 N 0.75 1.01 -0.07 1.05 1.03 -1.44 -1.66 112.91 113.57 2bkc h THR 120 Ca 0.33 -2.48 -0.02 0.00 -0.01 0.00 0.00 66.41 64.23 2bkc h THR 120 Cb 0.33 2.47 -0.00 0.00 -1.07 0.00 0.00 68.15 69.88 2bkc h THR 120 CO -0.12 0.58 -0.03 -0.78 -0.01 0.00 0.00 175.52 175.16 2bkc h ASP 121 N 0.00 0.15 -0.80 0.00 3.58 -1.10 -2.09 116.42 116.16 2bkc h ASP 121 Ca -0.04 -0.40 0.15 0.00 0.42 0.00 0.00 57.03 57.16 2bkc h ASP 121 Cb 1.52 -0.04 -0.15 0.00 1.72 0.00 0.00 39.33 42.38 2bkc h ASP 121 CO 0.08 0.52 -0.27 0.50 -2.88 0.00 0.00 179.24 177.19 2bkc h LYS 122 N -0.22 -0.04 -0.02 0.28 1.63 -1.14 -2.59 116.57 114.48 2bkc h LYS 122 Ca 0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2bkc h LYS 122 Cb 0.46 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2bkc h LYS 122 CO 0.01 -0.03 0.00 0.39 -3.45 0.00 0.00 179.45 176.37 2bkc n GLU 123 N -5.50 1.16 -0.93 1.90 1.02 -0.64 -4.92 120.64 112.73 2bkc n GLU 123 Ca 0.10 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2bkc n GLU 123 Cb 0.40 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 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 0.97 0.41 3.53 0.62 0.00 -0.98 -4.95 105.19 104.79 2bkc n GLY 124 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.22 6.78 0.34 1.61 3.68 -0.80 -4.84 116.67 121.22 2bkc s ASP 125 Ca 0.00 -2.26 0.07 0.00 2.13 0.00 0.00 52.55 52.49 2bkc s ASP 125 Cb 0.00 -2.52 0.61 0.00 -1.45 0.00 0.00 42.92 39.57 2bkc s ASP 125 CO 0.00 -1.15 1.82 0.44 0.13 0.00 0.00 175.17 176.40 2bkc h ASP 126 N 8.22 0.28 -0.08 -0.34 3.32 -1.93 -2.56 116.42 123.33 2bkc h ASP 126 Ca 0.32 -0.08 -0.18 0.00 0.02 0.00 0.00 57.03 57.11 2bkc h ASP 126 Cb 0.93 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 2bkc h ASP 126 CO 1.36 0.52 -0.58 0.58 -1.72 0.00 0.00 179.24 179.41 2bkc h VAL 127 N 0.26 1.30 0.06 -1.35 2.07 -1.95 -1.59 116.25 115.06 2bkc h VAL 127 Ca 0.04 -1.81 -0.26 0.00 0.82 0.00 0.00 66.70 65.50 2bkc h VAL 127 Cb 0.55 1.76 0.02 0.00 -1.52 0.00 0.00 31.29 32.10 2bkc h VAL 127 CO 0.04 0.57 -1.04 0.74 0.02 0.00 0.00 177.57 177.90 2bkc h THR 128 N 0.51 1.32 -0.55 2.57 2.02 -1.93 -2.60 112.91 114.25 2bkc h THR 128 Ca 0.00 -2.33 0.11 0.00 0.77 0.00 0.00 66.41 64.97 2bkc h THR 128 Cb 1.15 2.62 -0.10 0.00 -1.74 0.00 0.00 68.15 70.08 2bkc h THR 128 CO 0.12 0.70 -0.05 -1.13 0.37 0.00 0.00 175.52 175.53 2bkc h ASN 129 N 0.20 -0.34 -0.36 4.18 -0.73 -1.47 -0.64 115.58 116.42 2bkc h ASN 129 Ca -0.15 0.15 -0.11 0.00 1.87 0.00 0.00 56.30 58.06 2bkc h ASN 129 Cb 1.72 0.28 -0.02 0.00 0.27 0.00 0.00 38.32 40.57 2bkc h ASN 129 CO 0.20 -0.13 -0.16 -0.78 -0.37 0.00 0.00 177.43 176.19 2bkc h ASP 130 N 0.07 0.83 -0.41 1.15 3.58 -1.23 -2.18 116.42 118.23 2bkc h ASP 130 Ca 0.28 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2bkc h ASP 130 Cb 0.43 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 2bkc h ASP 130 CO -0.50 0.99 0.24 -0.03 -2.88 0.00 0.00 179.24 177.06 2bkc h MET 131 N 0.74 0.56 -0.54 0.28 4.05 -1.11 -1.81 114.93 117.09 2bkc h MET 131 Ca 0.11 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.37 2bkc h MET 131 Cb 0.68 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.34 2bkc h MET 131 CO 0.05 0.43 -0.07 -0.07 0.23 0.00 0.00 176.91 177.47 2bkc h LEU 132 N 0.54 0.97 -0.11 3.39 4.07 -0.77 -1.02 115.31 122.38 2bkc h LEU 132 Ca 0.15 -0.30 -0.01 0.00 0.08 0.00 0.00 57.88 57.79 2bkc h LEU 132 Cb 0.01 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 41.49 2bkc h LEU 132 CO -0.03 1.07 0.01 0.40 -1.08 0.00 0.00 178.44 178.81 2bkc h ILE 133 N 0.89 1.23 -0.50 1.22 2.04 -1.34 0.39 117.51 121.44 2bkc h ILE 133 Ca 0.15 -0.74 0.09 0.00 1.00 0.00 0.00 64.86 65.35 2bkc h ILE 133 Cb 0.62 1.52 -0.07 0.00 -0.74 0.00 0.00 36.82 38.14 2bkc h ILE 133 CO 0.04 0.21 0.09 0.00 0.00 0.00 0.00 178.15 178.49 2bkc h ALA 134 N 0.77 0.55 -0.78 1.87 0.00 -1.16 -0.84 119.26 119.67 2bkc h ALA 134 Ca 0.03 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2bkc h ALA 134 Cb 0.32 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2bkc h ALA 134 CO 0.00 -0.32 0.45 0.74 0.00 0.00 0.00 179.25 180.13 2bkc h PHE 135 N 0.22 1.04 -0.80 0.00 0.05 -1.06 -2.84 116.94 113.55 2bkc h PHE 135 Ca 0.25 -0.01 -0.01 0.00 3.82 0.00 0.00 57.97 62.02 2bkc h PHE 135 Cb 0.34 -0.34 -0.04 0.00 2.00 0.00 0.00 35.95 37.91 2bkc h PHE 135 CO -0.24 0.71 0.45 -0.22 -0.18 0.00 0.00 178.31 178.84 2bkc h LYS 136 N 1.07 1.10 -0.18 1.51 3.64 -0.25 -1.77 116.57 121.70 2bkc h LYS 136 Ca 0.28 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 2bkc h LYS 136 Cb -0.01 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 31.53 2bkc h LYS 136 CO -0.05 0.80 -0.17 0.00 -2.27 0.00 0.00 179.45 177.76 2bkc h ALA 137 N 1.38 -0.05 -0.63 5.00 0.00 -0.94 -0.70 119.26 123.33 2bkc h ALA 137 Ca 0.28 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2bkc h ALA 137 Cb 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2bkc h ALA 137 CO -0.05 -0.60 0.39 1.03 0.00 0.00 0.00 179.25 180.02 2bkc h SER 138 N -0.18 0.74 -0.87 0.00 0.87 -1.33 -2.85 113.55 109.94 2bkc h SER 138 Ca 0.11 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 2bkc h SER 138 Cb 0.35 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 2bkc h SER 138 CO -0.29 0.57 0.44 0.40 -0.53 0.00 0.00 176.83 177.42 2bkc h ILE 139 N 0.85 1.26 -0.74 2.23 2.04 -0.75 -2.00 117.51 120.39 2bkc h ILE 139 Ca 0.23 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 2bkc h ILE 139 Cb -0.05 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.12 2bkc h ILE 139 CO -0.04 0.30 0.39 0.44 0.00 0.00 0.00 178.15 179.24 2bkc h ASP 140 N 1.23 0.95 0.11 1.72 3.32 -0.98 -1.28 116.42 121.49 2bkc h ASP 140 Ca 0.30 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2bkc h ASP 140 Cb 0.08 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2bkc h ASP 140 CO -0.04 0.79 -0.11 0.50 -1.72 0.00 0.00 179.24 178.66 2bkc h LYS 141 N 1.03 -0.24 -0.98 3.56 3.64 -1.25 -0.81 116.57 121.53 2bkc h LYS 141 Ca 0.26 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.77 2bkc h LYS 141 Cb 0.07 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 31.87 2bkc h LYS 141 CO -0.04 -0.16 0.62 0.45 -2.27 0.00 0.00 179.45 178.06 2bkc h HIS 142 N -0.24 1.10 -0.34 1.91 3.86 -1.13 -1.05 115.15 119.25 2bkc h HIS 142 Ca 0.00 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 2bkc h HIS 142 Cb 0.23 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 2bkc h HIS 142 CO -0.12 0.46 -0.02 0.82 0.86 0.00 0.00 177.93 179.94 2bkc h ILE 143 N 0.98 1.26 -0.75 2.45 2.04 -0.85 0.16 117.51 122.80 2bkc h ILE 143 Ca 0.47 -1.01 0.09 0.00 1.00 0.00 0.00 64.86 65.42 2bkc h ILE 143 Cb 0.46 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 2bkc h ILE 143 CO -0.24 0.33 0.40 -0.25 0.00 0.00 0.00 178.15 178.40 2bkc h TRP 144 N 0.42 0.73 -0.05 1.37 7.01 -0.55 -1.59 115.95 123.29 2bkc h TRP 144 Ca 0.10 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.98 2bkc h TRP 144 Cb 0.48 -0.21 0.01 0.00 -2.10 0.00 0.00 29.16 27.34 2bkc h TRP 144 CO 0.04 0.28 -0.54 0.52 -2.79 0.00 0.00 178.44 175.95 2bkc h MET 145 N 0.68 0.46 -0.25 2.65 2.86 -0.63 -2.02 114.93 118.69 2bkc h MET 145 Ca 0.37 -0.43 -0.17 0.00 -2.06 0.00 0.00 59.70 57.41 2bkc h MET 145 Cb 0.35 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 2bkc h MET 145 CO -0.25 1.07 -0.52 0.74 1.06 0.00 0.00 176.91 179.00 2bkc h PHE 146 N 0.01 0.89 -0.89 -0.22 -1.00 -1.01 -2.12 116.94 112.61 2bkc h PHE 146 Ca -0.05 -0.31 0.03 0.00 2.81 0.00 0.00 57.97 60.45 2bkc h PHE 146 Cb 1.22 -0.17 -0.05 0.00 3.61 0.00 0.00 35.95 40.55 2bkc h PHE 146 CO 0.13 1.08 0.57 0.87 -1.61 0.00 0.00 178.31 179.35 2bkc h LYS 147 N 0.55 1.08 -0.72 1.51 1.79 -1.32 -1.92 116.57 117.55 2bkc h LYS 147 Ca 0.02 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 2bkc h LYS 147 Cb 1.09 -0.24 -0.03 0.00 -1.58 0.00 0.00 32.23 31.46 2bkc h LYS 147 CO 0.11 0.72 0.28 0.00 -1.08 0.00 0.00 179.45 179.47 2bkc h ALA 148 N 1.36 1.12 -0.23 3.86 0.00 -1.12 0.14 119.26 124.40 2bkc h ALA 148 Ca 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2bkc h ALA 148 Cb -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2bkc h ALA 148 CO -0.12 0.62 0.12 0.35 0.00 0.00 0.00 179.25 180.22 2bkc h PHE 149 N 1.05 0.31 -0.09 0.00 3.57 -0.92 -2.21 116.94 118.65 2bkc h PHE 149 Ca 0.24 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.74 2bkc h PHE 149 Cb 0.22 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.86 2bkc h PHE 149 CO 0.02 0.23 0.00 1.28 -2.23 0.00 0.00 178.31 177.61 2bkc n LEU 150 N -4.46 0.93 -0.10 0.59 4.77 -0.76 -4.91 117.00 113.06 2bkc n LEU 150 Ca 0.00 -0.39 -0.01 0.00 -0.03 0.00 0.00 56.01 55.59 2bkc n LEU 150 Cb 0.10 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2bkc n LEU 150 CO 0.35 0.19 -0.01 0.61 -1.33 0.00 0.00 177.39 177.20 2bkc n GLY 151 N 0.98 0.45 3.34 -0.72 0.00 -0.83 -5.03 105.19 103.37 2bkc n GLY 151 Ca 0.15 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.43 1.28 0.59 1.61 1.02 0.44 -5.00 119.74 117.24 2bkc s LYS 152 Ca 0.00 -1.25 -0.17 0.00 0.02 0.00 0.00 55.97 54.57 2bkc s LYS 152 Cb 0.00 -1.65 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 2bkc s LYS 152 CO 0.00 0.39 1.09 0.00 -0.92 0.00 0.00 175.35 175.91 2bkc s ALA 153 N -1.10 2.65 0.24 5.17 0.00 -1.26 -2.82 121.76 124.65 2bkc s ALA 153 Ca 0.10 0.60 -0.05 0.00 0.00 0.00 0.00 51.96 52.61 2bkc s ALA 153 Cb -0.10 -3.30 0.37 0.00 0.00 0.00 0.00 23.12 20.09 2bkc s ALA 153 CO 0.05 -0.89 1.82 -1.35 0.00 0.00 0.00 175.76 175.39 2bkc h PRO 154 N 0.67 0.79 -0.58 0.00 0.11 -1.87 -2.86 132.00 128.26 2bkc h PRO 154 Ca -0.48 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.49 2bkc h PRO 154 Cb 1.24 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 2bkc h PRO 154 CO 0.56 0.52 0.10 1.28 -0.21 0.00 0.00 178.00 180.26 2bkc n LEU 155 N -4.72 5.50 -0.83 2.35 4.77 -1.26 -4.86 117.00 117.94 2bkc n LEU 155 Ca 0.13 -3.10 0.10 0.00 -0.03 0.00 0.00 56.01 53.11 2bkc n LEU 155 Cb 0.25 -0.68 0.09 0.00 -2.33 0.00 0.00 43.42 40.74 2bkc n LEU 155 CO 0.28 0.74 0.58 1.21 -1.33 0.00 0.00 177.39 178.87