#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 2.76 -0.15 -1.34 5.68 -1.26 -5.00 116.55 117.24 2bkc n ASP 8 Ca 0.00 -2.65 -0.04 0.00 -0.50 0.00 0.00 54.79 51.61 2bkc n ASP 8 Cb 0.00 0.12 0.03 0.00 -1.14 0.00 0.00 41.12 40.13 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 0.92 0.47 -0.69 2.12 2.02 -1.98 -0.87 112.91 114.90 2bkc h THR 9 Ca -0.31 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.90 2bkc h THR 9 Cb 1.02 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 2bkc h THR 9 CO 0.50 0.00 0.43 0.11 0.37 0.00 0.00 175.52 176.93 2bkc h LYS 10 N -0.04 0.81 0.00 6.66 1.57 -1.96 -1.45 116.57 122.16 2bkc h LYS 10 Ca 0.23 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.81 2bkc h LYS 10 Cb 0.39 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2bkc h LYS 10 CO -0.51 0.54 -0.69 0.93 -0.57 0.00 0.00 179.45 179.14 2bkc h GLU 11 N 0.84 0.00 0.43 3.15 5.08 -1.86 -2.25 114.58 119.96 2bkc h GLU 11 Ca 0.28 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 2bkc h GLU 11 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2bkc h GLU 11 CO -0.11 0.69 -0.20 0.35 -1.00 0.00 0.00 179.01 178.74 2bkc h PHE 12 N 0.00 -0.53 -0.42 4.33 3.57 -0.57 -1.40 116.94 121.92 2bkc h PHE 12 Ca -0.01 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.56 2bkc h PHE 12 Cb 1.33 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 40.17 2bkc h PHE 12 CO 0.00 -0.25 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.73 2bkc h LEU 13 N -0.74 -0.24 -1.19 0.59 4.07 -1.27 -1.32 115.31 115.21 2bkc h LEU 13 Ca -0.06 0.11 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 2bkc h LEU 13 Cb 0.52 0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.43 2bkc h LEU 13 CO 0.10 -0.08 0.39 -1.13 -1.08 0.00 0.00 178.44 176.64 2bkc h ASN 14 N 0.07 0.84 -0.35 -0.43 -0.73 -1.41 -0.70 115.58 112.87 2bkc h ASN 14 Ca 0.21 -0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.30 2bkc h ASN 14 Cb 0.31 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 2bkc h ASN 14 CO -0.38 0.67 0.16 -0.74 -0.37 0.00 0.00 177.43 176.77 2bkc h HIS 15 N 0.96 0.56 0.00 0.67 2.76 -0.18 -1.95 115.15 117.96 2bkc h HIS 15 Ca 0.25 -0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.28 2bkc h HIS 15 Cb 0.00 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.77 2bkc h HIS 15 CO 0.01 0.44 -0.55 1.96 -1.30 0.00 0.00 177.93 178.49 2bkc h GLN 16 N 0.57 0.00 -0.02 5.26 1.08 -0.26 -0.85 115.11 120.89 2bkc h GLN 16 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2bkc h GLN 16 Cb 0.11 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2bkc h GLN 16 CO -0.01 0.55 0.01 0.28 -0.95 0.00 0.00 178.83 178.71 2bkc h VAL 17 N 0.00 1.01 -0.08 -0.54 2.07 -0.62 0.13 116.25 118.22 2bkc h VAL 17 Ca -0.01 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.54 2bkc h VAL 17 Cb 1.40 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 2bkc h VAL 17 CO 0.07 0.01 -0.12 0.00 0.02 0.00 0.00 177.57 177.55 2bkc h ALA 18 N 1.01 -0.07 -0.78 1.67 0.00 -1.20 -2.38 119.26 117.51 2bkc h ALA 18 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2bkc h ALA 18 Cb -0.00 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2bkc h ALA 18 CO -0.00 -0.59 0.49 -0.91 0.00 0.00 0.00 179.25 178.24 2bkc h ASN 19 N -0.17 0.92 0.76 0.00 2.35 -0.97 -2.80 115.58 115.67 2bkc h ASN 19 Ca 0.07 -0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.61 2bkc h ASN 19 Cb 0.27 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2bkc h ASN 19 CO -0.18 0.69 -0.78 -0.07 -1.65 0.00 0.00 177.43 175.45 2bkc h LEU 20 N 1.07 0.02 -0.60 1.61 4.07 -0.78 -0.83 115.31 119.87 2bkc h LEU 20 Ca 0.28 -0.01 -0.15 0.00 0.08 0.00 0.00 57.88 58.08 2bkc h LEU 20 Cb -0.08 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 2bkc h LEU 20 CO -0.06 0.79 -0.68 0.78 -1.08 0.00 0.00 178.44 178.19 2bkc h ASN 21 N 0.01 0.12 -0.18 -0.43 2.35 -1.30 -2.28 115.58 113.87 2bkc h ASN 21 Ca -0.01 -0.08 -0.19 0.00 -0.55 0.00 0.00 56.30 55.47 2bkc h ASN 21 Cb 1.38 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 39.72 2bkc h ASN 21 CO 0.10 0.77 -0.62 0.58 -1.65 0.00 0.00 177.43 176.60 2bkc h VAL 22 N 0.07 1.30 0.19 2.81 2.07 -1.27 -3.15 116.25 118.28 2bkc h VAL 22 Ca -0.01 -1.85 -0.01 0.00 0.82 0.00 0.00 66.70 65.65 2bkc h VAL 22 Cb 1.21 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2bkc h VAL 22 CO 0.10 0.58 -0.09 0.15 0.02 0.00 0.00 177.57 178.33 2bkc h PHE 23 N 0.45 -0.24 -0.64 1.57 3.57 -1.13 -1.89 116.94 118.62 2bkc h PHE 23 Ca -0.03 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.60 2bkc h PHE 23 Cb 1.25 0.08 -0.11 0.00 2.79 0.00 0.00 35.95 39.96 2bkc h PHE 23 CO 0.09 -0.10 -0.00 1.15 -2.23 0.00 0.00 178.31 177.22 2bkc h THR 24 N -0.31 0.46 -0.56 4.41 2.02 -1.54 0.93 112.91 118.32 2bkc h THR 24 Ca -0.03 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 2bkc h THR 24 Cb 0.24 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2bkc h THR 24 CO 0.04 0.02 -0.01 0.58 0.37 0.00 0.00 175.52 176.52 2bkc h VAL 25 N 0.11 1.26 -0.05 3.16 2.07 -1.49 -2.51 116.25 118.81 2bkc h VAL 25 Ca 0.34 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 2bkc h VAL 25 Cb 0.56 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2bkc h VAL 25 CO -0.56 0.40 -0.13 0.50 0.02 0.00 0.00 177.57 177.81 2bkc h LYS 26 N 0.89 0.07 -0.45 1.57 3.64 -0.45 -1.92 116.57 119.92 2bkc h LYS 26 Ca 0.16 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2bkc h LYS 26 Cb 0.54 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2bkc h LYS 26 CO 0.03 0.20 0.06 0.82 -2.27 0.00 0.00 179.45 178.29 2bkc h ILE 27 N 0.07 1.25 -0.19 2.00 2.04 -0.43 -1.52 117.51 120.73 2bkc h ILE 27 Ca 0.01 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 64.98 2bkc h ILE 27 Cb 0.28 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2bkc h ILE 27 CO 0.02 0.32 -0.00 0.45 0.00 0.00 0.00 178.15 178.94 2bkc h HIS 28 N 0.61 -0.01 -0.60 1.37 3.86 -1.21 -1.27 115.15 117.90 2bkc h HIS 28 Ca 0.13 0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.48 2bkc h HIS 28 Cb 0.41 0.03 -0.11 0.00 1.06 0.00 0.00 27.41 28.80 2bkc h HIS 28 CO 0.03 -0.03 -0.05 0.37 0.86 0.00 0.00 177.93 179.11 2bkc h GLN 29 N 0.06 0.07 -0.09 2.45 4.15 -1.26 0.22 115.11 120.72 2bkc h GLN 29 Ca 0.09 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.53 2bkc h GLN 29 Cb 0.11 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2bkc h GLN 29 CO -0.16 0.05 -0.04 0.82 -1.93 0.00 0.00 178.83 177.58 2bkc h ILE 30 N 0.08 0.87 0.30 2.39 2.04 -0.77 -1.95 117.51 120.46 2bkc h ILE 30 Ca 0.31 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.15 2bkc h ILE 30 Cb 0.49 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2bkc h ILE 30 CO -0.55 0.00 -0.14 -0.74 0.00 0.00 0.00 178.15 176.72 2bkc h HIS 31 N -0.03 -0.37 -0.09 1.37 2.76 -0.58 -0.98 115.15 117.23 2bkc h HIS 31 Ca 0.05 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2bkc h HIS 31 Cb 0.10 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 2bkc h HIS 31 CO -0.15 -0.17 0.00 -1.49 -1.30 0.00 0.00 177.93 174.82 2bkc h TRP 32 N -0.48 0.12 -0.38 5.26 6.55 -0.58 -2.74 115.95 123.70 2bkc h TRP 32 Ca -0.04 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.80 2bkc h TRP 32 Cb 0.36 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 28.62 2bkc h TRP 32 CO -0.03 0.13 0.00 0.66 -1.05 0.00 0.00 178.44 178.15 2bkc n TYR 33 N -4.46 0.50 -1.94 0.49 4.02 -0.74 -4.98 117.16 110.06 2bkc n TYR 33 Ca -0.02 -0.41 -0.41 0.00 -0.01 0.00 0.00 57.90 57.05 2bkc n TYR 33 Cb 0.13 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.41 2bkc n TYR 33 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 2bkc s MET 34 N -1.04 4.22 0.14 -0.72 1.75 -0.38 -4.96 119.30 118.32 2bkc s MET 34 Ca 0.28 2.39 0.01 0.00 -1.25 0.00 0.00 55.69 57.12 2bkc s MET 34 Cb 0.15 -3.08 -0.04 0.00 2.84 0.00 0.00 34.83 34.70 2bkc s MET 34 CO 0.20 -0.48 -0.00 1.03 -0.65 0.00 0.00 175.02 175.12 2bkc s ARG 35 N -0.50 0.99 0.00 4.11 0.52 -1.26 -4.99 118.95 117.82 2bkc s ARG 35 Ca 0.60 -1.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 2bkc s ARG 35 Cb -0.44 -0.12 0.00 0.00 0.52 0.00 0.00 34.95 34.91 2bkc s ARG 35 CO 0.45 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 176.05 2bkc n GLY 36 N -0.15 -3.44 0.36 -3.53 0.00 -1.26 -4.60 105.19 92.57 2bkc n GLY 36 Ca -0.08 -2.14 0.19 0.00 0.00 0.00 0.00 46.02 43.99 2bkc n GLY 36 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2bkc h HIS 37 N 0.00 0.00 -0.31 1.61 2.07 -2.07 0.12 115.15 116.57 2bkc h HIS 37 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2bkc h HIS 37 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 2bkc h HIS 37 CO 0.00 0.00 0.00 0.09 -3.07 0.00 0.00 177.93 174.95 2bkc n ASN 38 N -3.69 2.45 -0.04 3.10 4.13 -1.26 -4.56 115.26 115.39 2bkc n ASN 38 Ca 0.04 -2.19 -0.11 0.00 1.68 0.00 0.00 54.58 54.01 2bkc n ASN 38 Cb 0.49 -0.39 -0.04 0.00 -1.54 0.00 0.00 39.78 38.30 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 1.94 0.23 -0.10 3.10 3.57 -1.22 -1.42 116.94 123.04 2bkc h PHE 39 Ca 0.00 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 2bkc h PHE 39 Cb 0.79 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.46 2bkc h PHE 39 CO 0.36 0.20 -0.50 0.74 -2.23 0.00 0.00 178.31 176.87 2bkc h PHE 40 N 0.19 0.69 -0.51 0.41 -1.00 -1.85 -1.85 116.94 113.02 2bkc h PHE 40 Ca 0.06 -0.31 -0.10 0.00 2.81 0.00 0.00 57.97 60.43 2bkc h PHE 40 Cb 0.04 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 2bkc h PHE 40 CO -0.05 1.08 -0.07 0.00 -1.61 0.00 0.00 178.31 177.67 2bkc h THR 41 N 0.10 1.27 0.00 -1.55 1.03 -1.85 -2.86 112.91 109.05 2bkc h THR 41 Ca -0.04 -1.19 -0.16 0.00 -0.01 0.00 0.00 66.41 65.01 2bkc h THR 41 Cb 1.15 1.00 -0.02 0.00 -1.07 0.00 0.00 68.15 69.21 2bkc h THR 41 CO 0.10 0.42 -0.76 -0.07 -0.01 0.00 0.00 175.52 175.20 2bkc h LEU 42 N 0.81 0.00 0.69 0.00 4.07 -1.35 -2.95 115.31 116.58 2bkc h LEU 42 Ca 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.06 2bkc h LEU 42 Cb 0.62 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.36 2bkc h LEU 42 CO 0.04 0.76 -0.37 1.23 -1.08 0.00 0.00 178.44 179.02 2bkc h GLY 43 N 2.99 -1.04 -0.28 0.83 0.00 -1.26 -1.14 103.07 103.17 2bkc h GLY 43 Ca -0.01 0.40 0.12 0.00 0.00 0.00 0.00 47.33 47.85 2bkc h GLY 43 CO 0.10 -0.37 -0.18 -2.09 0.00 0.00 0.00 176.54 174.00 2bkc h GLU 44 N -0.98 -0.02 0.00 4.80 4.81 -1.56 -1.09 114.58 120.54 2bkc h GLU 44 Ca -0.09 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2bkc h GLU 44 Cb 0.77 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 2bkc h GLU 44 CO 0.13 -0.01 -0.14 0.87 -0.73 0.00 0.00 179.01 179.13 2bkc h LYS 45 N -0.02 0.00 0.16 1.92 6.56 -1.37 -2.38 116.57 121.44 2bkc h LYS 45 Ca 0.30 0.00 -0.29 0.00 -1.06 0.00 0.00 60.65 59.59 2bkc h LYS 45 Cb 0.47 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.15 2bkc h LYS 45 CO -0.65 0.14 -1.30 0.52 -2.06 0.00 0.00 179.45 176.10 2bkc h MET 46 N 0.00 0.41 -0.29 3.15 2.86 -0.03 -2.22 114.93 118.81 2bkc h MET 46 Ca -0.00 -0.65 0.06 0.00 -2.06 0.00 0.00 59.70 57.04 2bkc h MET 46 Cb 0.27 0.24 -0.06 0.00 0.06 0.00 0.00 31.60 32.11 2bkc h MET 46 CO 0.02 1.30 -0.07 -0.44 1.06 0.00 0.00 176.91 178.78 2bkc h ASP 47 N 0.13 -0.27 -0.80 1.22 3.32 -1.06 0.23 116.42 119.20 2bkc h ASP 47 Ca -0.18 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 2bkc h ASP 47 Cb 2.00 0.18 -0.04 0.00 0.22 0.00 0.00 39.33 41.69 2bkc h ASP 47 CO 0.23 -0.10 0.39 0.44 -1.72 0.00 0.00 179.24 178.48 2bkc h ASP 48 N -0.00 1.05 -0.11 6.45 3.32 -1.42 -2.39 116.42 123.32 2bkc h ASP 48 Ca 0.14 -0.12 -0.15 0.00 0.02 0.00 0.00 57.03 56.92 2bkc h ASP 48 Cb 0.21 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.50 2bkc h ASP 48 CO -0.30 0.88 -0.52 0.25 -1.72 0.00 0.00 179.24 177.83 2bkc h LEU 49 N 1.15 0.64 -0.42 1.55 5.85 -1.02 -1.31 115.31 121.75 2bkc h LEU 49 Ca 0.28 -0.64 0.09 0.00 0.84 0.00 0.00 57.88 58.44 2bkc h LEU 49 Cb 0.11 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 40.86 2bkc h LEU 49 CO -0.04 1.18 -0.25 0.22 -0.34 0.00 0.00 178.44 179.22 2bkc h TYR 50 N 0.15 -0.64 -0.78 1.25 5.03 -0.93 -0.19 116.97 120.86 2bkc h TYR 50 Ca -0.04 0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.27 2bkc h TYR 50 Cb 1.17 0.35 -0.03 0.00 1.55 0.00 0.00 36.73 39.76 2bkc h TYR 50 CO 0.11 -0.32 0.28 0.77 -1.32 0.00 0.00 178.16 177.68 2bkc h SER 51 N -0.17 1.10 -0.24 -2.11 0.02 -1.35 -0.91 113.55 109.90 2bkc h SER 51 Ca 0.20 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2bkc h SER 51 Cb 0.48 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2bkc h SER 51 CO -0.52 0.99 -0.03 -0.08 -1.14 0.00 0.00 176.83 176.06 2bkc h GLU 52 N 1.14 0.43 0.00 3.45 4.81 -0.94 -2.00 114.58 121.48 2bkc h GLU 52 Ca 0.26 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 2bkc h GLU 52 Cb 0.26 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2bkc h GLU 52 CO -0.02 0.64 -0.42 0.74 -0.73 0.00 0.00 179.01 179.22 2bkc h PHE 53 N 0.19 0.00 0.17 0.92 -1.00 -1.01 -0.88 116.94 115.33 2bkc h PHE 53 Ca 0.06 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.84 2bkc h PHE 53 Cb 0.46 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.02 2bkc h PHE 53 CO 0.04 0.42 -0.08 0.78 -1.61 0.00 0.00 178.31 177.86 2bkc h GLY 54 N 2.36 -0.24 0.65 -1.45 0.00 -1.14 -1.69 103.07 101.56 2bkc h GLY 54 Ca -0.00 0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.47 2bkc h GLY 54 CO 0.06 -0.09 0.28 0.83 0.00 0.00 0.00 176.54 177.62 2bkc h GLU 55 N -0.26 0.51 -0.67 4.80 4.39 -1.17 -2.40 114.58 119.79 2bkc h GLU 55 Ca -0.02 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.70 2bkc h GLU 55 Cb 0.20 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.68 2bkc h GLU 55 CO 0.04 0.34 0.37 0.37 -1.16 0.00 0.00 179.01 178.97 2bkc h GLN 56 N 0.53 0.66 -0.05 2.33 4.15 -1.05 -2.14 115.11 119.55 2bkc h GLN 56 Ca 0.26 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.64 2bkc h GLN 56 Cb 0.19 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 2bkc h GLN 56 CO -0.19 0.44 0.03 1.98 -1.93 0.00 0.00 178.83 179.16 2bkc h MET 57 N 0.68 0.06 -0.84 1.69 4.05 -0.99 -1.37 114.93 118.21 2bkc h MET 57 Ca 0.30 -0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.79 2bkc h MET 57 Cb 0.18 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 30.90 2bkc h MET 57 CO -0.18 0.07 0.50 -0.44 0.23 0.00 0.00 176.91 177.09 2bkc h ASP 58 N 0.04 0.76 0.02 1.39 3.45 -0.96 -0.28 116.42 120.84 2bkc h ASP 58 Ca 0.02 0.03 -0.09 0.00 0.43 0.00 0.00 57.03 57.42 2bkc h ASP 58 Cb 0.02 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 2bkc h ASP 58 CO -0.00 0.46 -0.25 -0.33 -1.57 0.00 0.00 179.24 177.54 2bkc h GLU 59 N 0.88 0.38 0.12 3.56 4.39 -1.12 0.14 114.58 122.92 2bkc h GLU 59 Ca 0.39 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 2bkc h GLU 59 Cb 0.27 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2bkc h GLU 59 CO -0.21 0.61 -0.06 0.28 -1.16 0.00 0.00 179.01 178.47 2bkc h VAL 60 N 0.34 1.06 -0.67 3.13 2.07 -0.37 -1.52 116.25 120.29 2bkc h VAL 60 Ca 0.05 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 66.84 2bkc h VAL 60 Cb 0.63 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 2bkc h VAL 60 CO 0.05 0.19 0.34 0.00 0.02 0.00 0.00 177.57 178.17 2bkc h ALA 61 N 0.26 0.90 -0.09 1.67 0.00 -0.94 -1.56 119.26 119.50 2bkc h ALA 61 Ca -0.02 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 2bkc h ALA 61 Cb 0.43 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2bkc h ALA 61 CO 0.03 -0.03 -0.77 0.93 0.00 0.00 0.00 179.25 179.41 2bkc h GLU 62 N 0.61 0.52 -0.70 0.00 5.08 -0.72 -1.04 114.58 118.32 2bkc h GLU 62 Ca 0.32 -0.44 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2bkc h GLU 62 Cb 0.28 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2bkc h GLU 62 CO -0.23 1.07 0.27 -0.09 -1.00 0.00 0.00 179.01 179.03 2bkc h ARG 63 N 0.35 1.04 -0.52 2.33 9.65 -1.04 -0.66 114.38 125.52 2bkc h ARG 63 Ca -0.04 -0.18 -0.10 0.00 -1.10 0.00 0.00 59.98 58.56 2bkc h ARG 63 Cb 1.37 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.76 2bkc h ARG 63 CO 0.14 0.85 -0.06 1.25 2.80 0.00 0.00 179.97 184.94 2bkc h LEU 64 N 1.02 0.96 -0.18 3.80 5.85 -0.89 -2.42 115.31 123.45 2bkc h LEU 64 Ca 0.24 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.65 2bkc h LEU 64 Cb 0.20 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2bkc h LEU 64 CO -0.02 1.07 0.01 -0.07 -0.34 0.00 0.00 178.44 179.09 2bkc h LEU 65 N 0.83 -0.04 -2.62 2.25 4.07 -1.02 -1.09 115.31 117.71 2bkc h LEU 65 Ca 0.14 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.13 2bkc h LEU 65 Cb 0.62 0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.41 2bkc h LEU 65 CO 0.04 0.01 -0.01 0.00 -1.08 0.00 0.00 178.44 177.40 2bkc h ALA 66 N 1.14 1.29 -0.54 1.53 0.00 -0.72 -2.17 119.26 119.79 2bkc h ALA 66 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2bkc h ALA 66 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2bkc h ALA 66 CO -0.13 0.01 0.00 0.44 0.00 0.00 0.00 179.25 179.58 2bkc n ILE 67 N -3.52 2.16 -0.30 0.00 -5.35 -0.95 -4.95 119.36 106.45 2bkc n ILE 67 Ca -0.03 -1.37 0.00 0.00 -0.27 0.00 0.00 62.75 61.08 2bkc n ILE 67 Cb 0.09 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 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 0.65 0.85 1.92 3.28 0.00 -0.82 -5.05 105.19 106.03 2bkc n GLY 68 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.30 0.56 2.55 -0.02 0.00 -0.44 -5.02 105.19 100.52 2bkc n GLY 69 Ca 0.00 -1.97 -0.27 0.00 0.00 0.00 0.00 46.02 43.78 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 -3.04 2.85 0.33 1.61 0.01 -1.26 -4.40 113.70 109.80 2bkc s SER 70 Ca 0.33 -1.69 -0.29 0.00 1.31 0.00 0.00 55.95 55.61 2bkc s SER 70 Cb -0.02 -0.19 -0.11 0.00 0.21 0.00 0.00 66.02 65.90 2bkc s SER 70 CO 0.22 -0.36 1.54 -0.81 0.41 0.00 0.00 173.24 174.24 2bkc n PRO 71 N 4.59 2.68 -1.62 12.44 -0.04 -1.26 -4.96 135.00 146.83 2bkc n PRO 71 Ca 0.05 0.95 -0.44 0.00 -0.04 0.00 0.00 63.50 64.01 2bkc n PRO 71 Cb 0.40 -2.70 -0.01 0.00 -0.04 0.00 0.00 33.50 31.15 2bkc n PRO 71 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2bkc n PHE 72 N 1.28 1.50 -2.39 0.54 0.99 -1.26 -4.92 117.46 113.21 2bkc n PHE 72 Ca 0.05 0.65 0.02 0.00 -0.00 0.00 0.00 57.45 58.17 2bkc n PHE 72 Cb 0.38 -2.29 -0.00 0.00 -1.00 0.00 0.00 39.48 36.57 2bkc n PHE 72 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 2bkc n SER 73 N 1.05 0.55 -3.92 4.37 3.41 -1.26 -4.95 113.62 112.87 2bkc n SER 73 Ca 0.08 -2.00 -0.10 0.00 -0.26 0.00 0.00 58.87 56.59 2bkc n SER 73 Cb 0.34 -0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.00 0.12 0.25 6.66 -4.23 -1.26 -5.04 115.64 112.13 2bkc s THR 74 Ca 0.26 -0.96 -0.03 0.00 -1.18 0.00 0.00 61.69 59.78 2bkc s THR 74 Cb 0.30 -0.71 0.22 0.00 1.34 0.00 0.00 72.50 73.65 2bkc s THR 74 CO -0.13 -0.53 1.75 -0.07 -0.54 0.00 0.00 174.62 175.10 2bkc h LEU 75 N 3.92 0.43 0.07 4.79 4.07 -1.99 -1.81 115.31 124.78 2bkc h LEU 75 Ca -0.32 0.09 0.02 0.00 0.08 0.00 0.00 57.88 57.75 2bkc h LEU 75 Cb 1.19 0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.91 2bkc h LEU 75 CO 0.47 0.19 -0.42 0.50 -1.08 0.00 0.00 178.44 178.10 2bkc h LYS 76 N 0.56 -0.60 -0.38 1.13 3.64 -1.99 -1.61 116.57 117.32 2bkc h LYS 76 Ca 0.42 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.82 2bkc h LYS 76 Cb 0.58 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 2bkc h LYS 76 CO -0.36 -0.40 0.13 0.93 -2.27 0.00 0.00 179.45 177.49 2bkc h GLU 77 N -0.62 0.54 0.41 1.90 5.08 -1.92 -1.30 114.58 118.66 2bkc h GLU 77 Ca 0.03 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2bkc h GLU 77 Cb 0.67 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2bkc h GLU 77 CO -0.28 0.47 -0.22 0.74 -1.00 0.00 0.00 179.01 178.73 2bkc h PHE 78 N 0.54 -0.56 -0.03 4.33 0.05 -0.68 -1.67 116.94 118.92 2bkc h PHE 78 Ca 0.13 -0.01 0.01 0.00 3.82 0.00 0.00 57.97 61.92 2bkc h PHE 78 Cb 0.14 0.19 -0.00 0.00 2.00 0.00 0.00 35.95 38.29 2bkc h PHE 78 CO 0.01 -0.34 0.03 -0.07 -0.18 0.00 0.00 178.31 177.75 2bkc h LEU 79 N -0.58 0.00 -0.29 1.54 3.38 -1.13 -0.87 115.31 117.37 2bkc h LEU 79 Ca -0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2bkc h LEU 79 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2bkc h LEU 79 CO 0.07 0.00 -0.52 -0.33 0.09 0.00 0.00 178.44 177.76 2bkc h GLU 80 N 0.00 0.00 0.00 1.13 5.08 -0.70 -3.38 114.58 116.72 2bkc h GLU 80 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2bkc h GLU 80 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2bkc h GLU 80 CO -0.00 0.52 -1.14 0.09 -1.00 0.00 0.00 179.01 177.47 2bkc n ASN 81 N -3.33 2.10 -4.75 1.42 4.13 -0.68 -5.04 115.26 109.11 2bkc n ASN 81 Ca 0.01 -0.21 -0.40 0.00 1.68 0.00 0.00 54.58 55.66 2bkc n ASN 81 Cb 0.69 1.31 -0.05 0.00 -1.54 0.00 0.00 39.78 40.19 2bkc n ASN 81 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2bkc s ALA 82 N -2.43 3.38 -0.37 5.41 0.00 -0.37 -4.91 121.76 122.47 2bkc s ALA 82 Ca -0.01 0.80 0.23 0.00 0.00 0.00 0.00 51.96 52.98 2bkc s ALA 82 Cb 0.06 -3.29 0.06 0.00 0.00 0.00 0.00 23.12 19.96 2bkc s ALA 82 CO 0.39 -0.04 1.07 -1.13 0.00 0.00 0.00 175.76 176.05 2bkc n SER 83 N 1.33 0.74 -4.72 0.00 3.41 -1.26 -4.89 113.62 108.22 2bkc n SER 83 Ca -0.01 0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.37 2bkc n SER 83 Cb 0.46 0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 64.89 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 -3.31 3.64 0.13 -3.33 1.01 -1.26 -5.01 120.40 112.27 2bkc s VAL 84 Ca 0.01 1.26 -0.03 0.00 0.00 0.00 0.00 61.98 63.22 2bkc s VAL 84 Cb 0.11 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 2bkc s VAL 84 CO 0.78 0.14 0.34 -1.61 0.00 0.00 0.00 175.10 174.75 2bkc s GLU 85 N 0.50 3.57 0.15 2.72 2.02 -1.26 -4.99 118.70 121.42 2bkc s GLU 85 Ca 0.58 -0.19 0.06 0.00 0.02 0.00 0.00 54.97 55.44 2bkc s GLU 85 Cb -0.33 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 2bkc s GLU 85 CO 0.33 0.50 -0.14 -1.83 0.02 0.00 0.00 175.26 174.13 2bkc s GLU 86 N -2.67 1.14 -0.09 1.61 -1.05 -1.26 -5.01 118.70 111.37 2bkc s GLU 86 Ca 0.39 -1.39 -0.07 0.00 -0.15 0.00 0.00 54.97 53.76 2bkc s GLU 86 Cb -0.12 -0.96 0.03 0.00 -0.44 0.00 0.00 34.13 32.64 2bkc s GLU 86 CO 0.26 0.17 0.23 0.00 0.95 0.00 0.00 175.26 176.87 2bkc s ALA 87 N -2.57 -0.55 0.66 -0.84 0.00 -1.26 -5.15 121.76 112.04 2bkc s ALA 87 Ca 0.15 0.80 -0.17 0.00 0.00 0.00 0.00 51.96 52.73 2bkc s ALA 87 Cb -0.02 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.60 2bkc s ALA 87 CO 0.04 -0.15 1.23 -1.25 0.00 0.00 0.00 175.76 175.63 2bkc s PRO 88 N 0.64 2.58 -1.20 0.00 0.04 -1.26 -4.92 135.00 130.88 2bkc s PRO 88 Ca -0.04 1.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.72 2bkc s PRO 88 Cb -0.06 -1.88 0.18 0.00 0.04 0.00 0.00 34.50 32.79 2bkc s PRO 88 CO -0.04 -1.52 1.40 -0.47 0.04 0.00 0.00 177.00 176.41 2bkc s TYR 89 N -1.70 3.61 -0.76 0.56 5.04 -1.26 -4.73 117.35 118.11 2bkc s TYR 89 Ca 0.77 -2.22 0.22 0.00 -2.44 0.00 0.00 57.07 53.41 2bkc s TYR 89 Cb -0.32 -4.26 -0.02 0.00 0.35 0.00 0.00 41.96 37.72 2bkc s TYR 89 CO 0.39 -1.34 0.99 0.25 -1.34 0.00 0.00 175.55 174.50 2bkc n THR 90 N 4.36 0.06 -3.80 4.34 -2.24 -1.26 -4.90 114.28 110.85 2bkc n THR 90 Ca 0.35 -0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.86 2bkc n THR 90 Cb 0.42 0.49 -0.14 0.00 -2.10 0.00 0.00 70.33 69.00 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 -3.12 0.09 0.43 -0.78 2.36 -1.26 -5.15 119.74 112.31 2bkc s LYS 91 Ca 0.05 0.23 -0.26 0.00 -2.55 0.00 0.00 55.97 53.45 2bkc s LYS 91 Cb 0.15 -0.07 -0.08 0.00 -1.05 0.00 0.00 37.83 36.79 2bkc s LYS 91 CO 0.82 -0.09 1.35 -1.25 1.55 0.00 0.00 175.35 177.74 2bkc s PRO 92 N 0.58 3.83 0.17 4.03 0.04 -1.26 -5.03 135.00 137.36 2bkc s PRO 92 Ca -0.04 2.26 0.08 0.00 0.04 0.00 0.00 61.00 63.34 2bkc s PRO 92 Cb -0.06 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 2bkc s PRO 92 CO -0.02 -0.65 -0.17 0.15 0.04 0.00 0.00 177.00 176.35 2bkc s LYS 93 N -2.35 1.26 0.69 4.56 1.02 -1.26 -5.15 119.74 118.51 2bkc s LYS 93 Ca 0.59 -1.43 -0.11 0.00 0.02 0.00 0.00 55.97 55.04 2bkc s LYS 93 Cb -0.40 -1.24 0.00 0.00 -0.52 0.00 0.00 37.83 35.68 2bkc s LYS 93 CO 0.52 0.24 1.07 0.95 -0.92 0.00 0.00 175.35 177.21 2bkc s THR 94 N -2.26 3.86 0.22 2.17 -4.23 -1.26 -4.91 115.64 109.22 2bkc s THR 94 Ca 0.16 0.60 -0.13 0.00 -1.18 0.00 0.00 61.69 61.15 2bkc s THR 94 Cb -0.05 -3.54 0.27 0.00 1.34 0.00 0.00 72.50 70.52 2bkc s THR 94 CO 0.06 -0.79 1.61 -0.03 -0.54 0.00 0.00 174.62 174.93 2bkc h MET 95 N -0.61 -0.01 -0.86 3.99 4.05 -1.94 -1.65 114.93 117.90 2bkc h MET 95 Ca -0.45 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 58.99 2bkc h MET 95 Cb 1.23 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.99 2bkc h MET 95 CO 0.62 -0.01 0.56 -0.44 0.23 0.00 0.00 176.91 177.87 2bkc h ASP 96 N -0.01 0.95 -0.58 1.39 5.19 -1.96 -1.70 116.42 119.70 2bkc h ASP 96 Ca 0.33 -0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.64 2bkc h ASP 96 Cb 0.52 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 2bkc h ASP 96 CO -0.73 0.67 0.01 1.56 -3.12 0.00 0.00 179.24 177.63 2bkc h GLN 97 N 1.12 1.01 -0.50 3.56 4.20 -1.78 -1.13 115.11 121.59 2bkc h GLN 97 Ca 0.33 -0.32 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 2bkc h GLN 97 Cb -0.06 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 2bkc h GLN 97 CO -0.09 1.00 0.11 -0.07 -0.67 0.00 0.00 178.83 179.10 2bkc h LEU 98 N 0.90 0.71 0.01 1.46 3.38 -0.89 -2.34 115.31 118.54 2bkc h LEU 98 Ca 0.16 -0.12 -0.28 0.00 0.09 0.00 0.00 57.88 57.73 2bkc h LEU 98 Cb 0.53 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2bkc h LEU 98 CO 0.03 0.71 -1.58 0.24 0.09 0.00 0.00 178.44 177.93 2bkc h MET 99 N 0.73 0.03 -0.64 1.13 2.86 -1.22 -2.05 114.93 115.77 2bkc h MET 99 Ca 0.16 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 2bkc h MET 99 Cb 0.29 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 2bkc h MET 99 CO -0.00 0.67 0.26 0.93 1.06 0.00 0.00 176.91 179.82 2bkc h GLU 100 N 0.01 0.96 -0.13 1.72 4.39 -1.22 0.83 114.58 121.14 2bkc h GLU 100 Ca -0.24 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.30 2bkc h GLU 100 Cb 1.97 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 30.45 2bkc h GLU 100 CO 0.09 0.80 0.05 0.22 -1.16 0.00 0.00 179.01 179.02 2bkc h ASP 101 N 0.90 0.06 -0.82 1.42 3.58 -1.38 -1.17 116.42 119.00 2bkc h ASP 101 Ca 0.21 0.01 0.13 0.00 0.42 0.00 0.00 57.03 57.81 2bkc h ASP 101 Cb 0.20 0.01 -0.09 0.00 1.72 0.00 0.00 39.33 41.17 2bkc h ASP 101 CO -0.02 0.05 0.42 0.25 -2.88 0.00 0.00 179.24 177.07 2bkc h LEU 102 N 0.11 0.53 0.01 2.28 6.46 -1.01 -0.07 115.31 123.62 2bkc h LEU 102 Ca 0.06 0.08 -0.17 0.00 -0.12 0.00 0.00 57.88 57.73 2bkc h LEU 102 Cb 0.03 -0.00 0.01 0.00 -0.73 0.00 0.00 40.66 39.97 2bkc h LEU 102 CO -0.06 0.24 -0.68 0.58 -0.62 0.00 0.00 178.44 177.90 2bkc h VAL 103 N 0.63 1.41 -0.40 1.05 2.07 -0.47 -1.54 116.25 119.00 2bkc h VAL 103 Ca 0.44 -2.13 0.01 0.00 0.82 0.00 0.00 66.70 65.83 2bkc h VAL 103 Cb 0.58 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 2bkc h VAL 103 CO -0.34 0.63 0.27 1.23 0.02 0.00 0.00 177.57 179.37 2bkc h GLY 104 N -0.04 0.56 1.02 2.17 0.00 -1.07 -0.36 103.07 105.34 2bkc h GLY 104 Ca -0.09 -0.21 -0.17 0.00 0.00 0.00 0.00 47.33 46.87 2bkc h GLY 104 CO 0.13 0.20 -0.56 -0.84 0.00 0.00 0.00 176.54 175.47 2bkc h THR 105 N 0.53 1.32 -0.96 4.70 2.02 -0.76 -2.46 112.91 117.29 2bkc h THR 105 Ca 0.15 -1.80 0.08 0.00 0.77 0.00 0.00 66.41 65.61 2bkc h THR 105 Cb -0.05 1.96 -0.07 0.00 -1.74 0.00 0.00 68.15 68.26 2bkc h THR 105 CO -0.03 0.56 0.62 -0.07 0.37 0.00 0.00 175.52 176.97 2bkc h LEU 106 N 0.37 0.96 -0.82 2.58 3.38 -1.03 -1.62 115.31 119.13 2bkc h LEU 106 Ca -0.02 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2bkc h LEU 106 Cb 1.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2bkc h LEU 106 CO 0.12 0.59 -0.39 -0.33 0.09 0.00 0.00 178.44 178.52 2bkc h GLU 107 N 1.08 0.41 -0.10 1.13 5.08 -0.86 -0.83 114.58 120.48 2bkc h GLU 107 Ca 0.43 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2bkc h GLU 107 Cb 0.25 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2bkc h GLU 107 CO -0.18 0.74 -0.03 1.25 -1.00 0.00 0.00 179.01 179.79 2bkc h LEU 108 N 0.35 0.21 -0.85 1.33 6.46 -0.98 -1.90 115.31 119.93 2bkc h LEU 108 Ca 0.03 -0.39 0.02 0.00 -0.12 0.00 0.00 57.88 57.43 2bkc h LEU 108 Cb 0.84 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.67 2bkc h LEU 108 CO 0.07 0.55 0.55 -0.07 -0.62 0.00 0.00 178.44 178.92 2bkc h LEU 109 N -0.14 0.94 0.07 2.25 3.38 -1.13 0.82 115.31 121.50 2bkc h LEU 109 Ca 0.02 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2bkc h LEU 109 Cb 0.46 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2bkc h LEU 109 CO 0.01 0.66 -0.11 -0.09 0.09 0.00 0.00 178.44 179.00 2bkc h ARG 110 N 1.10 -0.22 -0.71 1.13 2.43 -1.08 -1.01 114.38 116.03 2bkc h ARG 110 Ca 0.33 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.52 2bkc h ARG 110 Cb -0.06 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 2bkc h ARG 110 CO -0.09 -0.15 0.47 -0.44 -1.51 0.00 0.00 179.97 178.25 2bkc h ASP 111 N -0.23 0.80 -0.09 -3.80 3.32 -0.82 -0.68 116.42 114.92 2bkc h ASP 111 Ca 0.02 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 2bkc h ASP 111 Cb 0.24 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 2bkc h ASP 111 CO -0.06 0.58 -0.60 -0.33 -1.72 0.00 0.00 179.24 177.10 2bkc h GLU 112 N 0.95 0.70 -0.45 3.56 5.08 -0.74 -2.78 114.58 120.90 2bkc h GLU 112 Ca 0.26 -0.47 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 2bkc h GLU 112 Cb -0.10 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2bkc h GLU 112 CO -0.06 1.09 0.15 1.88 -1.00 0.00 0.00 179.01 181.07 2bkc h TYR 113 N 0.52 0.65 -0.98 4.33 -1.99 -0.91 -0.50 116.97 118.09 2bkc h TYR 113 Ca -0.00 -0.04 0.01 0.00 2.00 0.00 0.00 58.73 60.70 2bkc h TYR 113 Cb 1.18 -0.20 -0.05 0.00 2.00 0.00 0.00 36.73 39.67 2bkc h TYR 113 CO 0.06 0.54 0.64 -0.22 -0.00 0.00 0.00 178.16 179.17 2bkc h LYS 114 N 0.64 1.30 -0.59 4.88 1.63 -0.96 0.75 116.57 124.22 2bkc h LYS 114 Ca 0.15 -0.09 -0.10 0.00 -0.85 0.00 0.00 60.65 59.76 2bkc h LYS 114 Cb 0.18 -0.29 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 2bkc h LYS 114 CO -0.01 0.87 -0.04 1.96 -3.45 0.00 0.00 179.45 178.78 2bkc h GLN 115 N 1.33 1.06 -0.03 1.90 4.20 -0.93 -2.52 115.11 120.12 2bkc h GLN 115 Ca 0.36 -0.36 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 2bkc h GLN 115 Cb -0.13 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 2bkc h GLN 115 CO -0.08 1.06 -0.28 0.78 -0.67 0.00 0.00 178.83 179.65 2bkc h GLY 116 N 0.95 0.06 1.11 3.46 0.00 -0.66 0.27 103.07 108.27 2bkc h GLY 116 Ca 0.16 -0.04 -0.18 0.00 0.00 0.00 0.00 47.33 47.27 2bkc h GLY 116 CO 0.04 0.04 -0.54 -2.22 0.00 0.00 0.00 176.54 173.86 2bkc h ILE 117 N 0.05 1.28 -0.54 2.60 2.04 -0.76 -0.54 117.51 121.64 2bkc h ILE 117 Ca 0.01 -1.73 -0.09 0.00 1.00 0.00 0.00 64.86 64.05 2bkc h ILE 117 Cb 0.52 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 2bkc h ILE 117 CO 0.04 0.56 -0.01 -0.33 0.00 0.00 0.00 178.15 178.40 2bkc h GLU 118 N 0.59 0.96 -0.16 2.37 5.08 -1.15 -2.61 114.58 119.66 2bkc h GLU 118 Ca 0.01 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 2bkc h GLU 118 Cb 1.15 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2bkc h GLU 118 CO 0.12 0.98 -0.10 1.25 -1.00 0.00 0.00 179.01 180.26 2bkc h LEU 119 N 0.84 0.37 -0.85 1.33 5.85 -0.85 -1.91 115.31 120.09 2bkc h LEU 119 Ca 0.15 -0.43 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 2bkc h LEU 119 Cb 0.55 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2bkc h LEU 119 CO 0.03 0.72 0.18 0.71 -0.34 0.00 0.00 178.44 179.74 2bkc h THR 120 N 0.02 1.25 -0.31 1.05 1.35 -1.18 0.07 112.91 115.18 2bkc h THR 120 Ca 0.03 -0.90 0.04 0.00 -0.55 0.00 0.00 66.41 65.03 2bkc h THR 120 Cb 0.59 0.55 -0.04 0.00 -1.73 0.00 0.00 68.15 67.52 2bkc h THR 120 CO 0.03 0.35 0.09 -0.78 -0.25 0.00 0.00 175.52 174.96 2bkc h ASP 121 N 0.99 0.09 -0.17 5.36 3.58 -1.46 -0.45 116.42 124.36 2bkc h ASP 121 Ca 0.21 0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.61 2bkc h ASP 121 Cb 0.32 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 2bkc h ASP 121 CO -0.00 0.08 -0.16 0.11 -2.88 0.00 0.00 179.24 176.39 2bkc h LYS 122 N 0.22 0.57 -0.00 0.28 1.57 -0.93 -2.40 116.57 115.89 2bkc h LYS 122 Ca 0.14 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2bkc h LYS 122 Cb 0.12 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2bkc h LYS 122 CO -0.16 0.72 -0.05 0.39 -0.57 0.00 0.00 179.45 179.78 2bkc n GLU 123 N -4.16 0.81 -1.63 3.15 1.02 -0.02 -4.93 120.64 114.87 2bkc n GLU 123 Ca 0.00 -0.19 -0.09 0.00 -0.02 0.00 0.00 57.16 56.86 2bkc n GLU 123 Cb 0.36 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 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 1.19 0.64 3.48 0.62 0.00 -0.73 -4.97 105.19 105.43 2bkc n GLY 124 Ca 0.17 -0.57 -0.44 0.00 0.00 0.00 0.00 46.02 45.19 2bkc n GLY 124 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bkc n ASP 125 N 0.41 5.12 -0.23 1.61 4.64 -0.25 -4.89 116.55 122.95 2bkc n ASP 125 Ca -0.10 -2.96 -0.01 0.00 -1.38 0.00 0.00 54.79 50.34 2bkc n ASP 125 Cb 0.42 -1.63 0.10 0.00 -1.04 0.00 0.00 41.12 38.97 2bkc n ASP 125 CO 0.00 0.00 0.00 0.44 -0.82 0.00 0.00 177.20 176.82 2bkc h ASP 126 N 7.22 0.52 0.12 1.67 3.32 -1.94 -2.43 116.42 124.91 2bkc h ASP 126 Ca 0.37 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 2bkc h ASP 126 Cb 0.86 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.35 2bkc h ASP 126 CO 1.33 0.33 -0.06 0.58 -1.72 0.00 0.00 179.24 179.70 2bkc h VAL 127 N 0.65 0.98 -0.09 -1.35 2.07 -1.97 -2.17 116.25 114.36 2bkc h VAL 127 Ca 0.30 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2bkc h VAL 127 Cb 0.21 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2bkc h VAL 127 CO -0.19 0.10 0.04 0.74 0.02 0.00 0.00 177.57 178.27 2bkc h THR 128 N -0.35 0.99 -0.85 2.57 2.02 -1.96 -1.59 112.91 113.73 2bkc h THR 128 Ca -0.02 -0.03 0.15 0.00 0.77 0.00 0.00 66.41 67.28 2bkc h THR 128 Cb 0.29 0.89 -0.15 0.00 -1.74 0.00 0.00 68.15 67.44 2bkc h THR 128 CO 0.03 0.02 -0.33 -1.13 0.37 0.00 0.00 175.52 174.47 2bkc h ASN 129 N 0.09 -1.20 -0.50 4.18 -0.73 -1.43 -0.96 115.58 115.02 2bkc h ASN 129 Ca 0.04 0.28 -0.12 0.00 1.87 0.00 0.00 56.30 58.37 2bkc h ASN 129 Cb 0.01 0.65 -0.01 0.00 0.27 0.00 0.00 38.32 39.24 2bkc h ASN 129 CO -0.03 -0.29 -0.14 -0.78 -0.37 0.00 0.00 177.43 175.81 2bkc h ASP 130 N -0.05 0.99 -0.50 1.15 3.58 -1.11 -1.97 116.42 118.51 2bkc h ASP 130 Ca 0.33 -0.37 0.05 0.00 0.42 0.00 0.00 57.03 57.46 2bkc h ASP 130 Cb 0.60 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 41.33 2bkc h ASP 130 CO -0.88 1.13 0.24 -0.03 -2.88 0.00 0.00 179.24 176.82 2bkc h MET 131 N 0.83 0.46 -0.60 0.28 4.05 -0.72 -2.52 114.93 116.71 2bkc h MET 131 Ca 0.12 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.41 2bkc h MET 131 Cb 0.71 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.38 2bkc h MET 131 CO 0.05 0.30 -0.02 -0.07 0.23 0.00 0.00 176.91 177.40 2bkc h LEU 132 N 0.47 1.06 -0.47 3.39 4.07 -1.03 -2.27 115.31 120.53 2bkc h LEU 132 Ca 0.23 -0.31 -0.02 0.00 0.08 0.00 0.00 57.88 57.85 2bkc h LEU 132 Cb 0.15 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 2bkc h LEU 132 CO -0.17 1.12 0.22 0.40 -1.08 0.00 0.00 178.44 178.93 2bkc h ILE 133 N 0.98 1.19 -0.62 1.22 2.04 -1.20 -0.87 117.51 120.24 2bkc h ILE 133 Ca 0.17 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2bkc h ILE 133 Cb 0.59 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2bkc h ILE 133 CO 0.04 0.21 0.31 0.00 0.00 0.00 0.00 178.15 178.70 2bkc h ALA 134 N 1.07 1.37 -0.53 1.87 0.00 -1.30 -0.46 119.26 121.28 2bkc h ALA 134 Ca 0.16 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2bkc h ALA 134 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2bkc h ALA 134 CO -0.02 0.50 -0.06 0.74 0.00 0.00 0.00 179.25 180.41 2bkc h PHE 135 N 0.87 1.05 -0.64 0.00 0.05 -1.25 -2.98 116.94 114.04 2bkc h PHE 135 Ca 0.22 -0.19 -0.04 0.00 3.82 0.00 0.00 57.97 61.78 2bkc h PHE 135 Cb 0.08 -0.27 -0.03 0.00 2.00 0.00 0.00 35.95 37.73 2bkc h PHE 135 CO 0.01 0.97 0.25 -0.22 -0.18 0.00 0.00 178.31 179.13 2bkc h LYS 136 N 0.87 0.94 -0.58 1.51 3.64 -0.47 -1.61 116.57 120.86 2bkc h LYS 136 Ca 0.15 -0.15 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 2bkc h LYS 136 Cb 0.59 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 2bkc h LYS 136 CO 0.04 0.77 0.27 0.00 -2.27 0.00 0.00 179.45 178.25 2bkc h ALA 137 N 1.35 0.76 -0.18 5.00 0.00 -0.96 -0.01 119.26 125.22 2bkc h ALA 137 Ca 0.22 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 2bkc h ALA 137 Cb 0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2bkc h ALA 137 CO -0.02 -0.11 -0.18 1.03 0.00 0.00 0.00 179.25 179.97 2bkc h SER 138 N 0.49 0.48 -0.59 0.00 0.87 -1.42 -2.43 113.55 110.94 2bkc h SER 138 Ca 0.28 -0.48 0.05 0.00 -1.23 0.00 0.00 61.79 60.41 2bkc h SER 138 Cb 0.26 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.03 2bkc h SER 138 CO -0.23 0.85 0.32 0.40 -0.53 0.00 0.00 176.83 177.64 2bkc h ILE 139 N 0.10 0.97 -0.67 2.23 2.04 -1.08 0.12 117.51 121.22 2bkc h ILE 139 Ca 0.03 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 2bkc h ILE 139 Cb 0.72 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 2bkc h ILE 139 CO 0.04 0.11 0.26 0.44 0.00 0.00 0.00 178.15 179.01 2bkc h ASP 140 N 0.60 0.91 0.41 1.72 3.32 -0.98 -0.95 116.42 121.46 2bkc h ASP 140 Ca 0.26 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 2bkc h ASP 140 Cb 0.15 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2bkc h ASP 140 CO -0.17 0.82 -0.60 0.50 -1.72 0.00 0.00 179.24 178.07 2bkc h LYS 141 N 0.97 0.19 -0.07 3.56 3.64 -0.89 -2.15 116.57 121.82 2bkc h LYS 141 Ca 0.23 -0.13 -0.15 0.00 -1.27 0.00 0.00 60.65 59.33 2bkc h LYS 141 Cb 0.20 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2bkc h LYS 141 CO -0.02 0.73 -0.60 0.45 -2.27 0.00 0.00 179.45 177.74 2bkc h HIS 142 N 0.14 0.31 -0.29 1.91 3.86 -0.24 -2.38 115.15 118.46 2bkc h HIS 142 Ca -0.01 -0.12 -0.10 0.00 -1.16 0.00 0.00 60.37 58.98 2bkc h HIS 142 Cb 1.10 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.51 2bkc h HIS 142 CO 0.02 0.78 -0.22 0.82 0.86 0.00 0.00 177.93 180.19 2bkc h ILE 143 N 0.18 1.30 0.45 2.45 2.04 -1.07 0.69 117.51 123.55 2bkc h ILE 143 Ca -0.01 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.48 2bkc h ILE 143 Cb 1.11 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 2bkc h ILE 143 CO 0.09 0.43 -0.35 -0.25 0.00 0.00 0.00 178.15 178.08 2bkc h TRP 144 N 0.41 -0.93 -0.22 1.37 7.01 -1.37 -1.06 115.95 121.16 2bkc h TRP 144 Ca 0.06 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 2bkc h TRP 144 Cb 0.77 0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 28.16 2bkc h TRP 144 CO 0.07 -0.51 0.11 0.52 -2.79 0.00 0.00 178.44 175.84 2bkc h MET 145 N -0.79 0.32 -0.29 2.65 2.86 -1.39 0.65 114.93 118.95 2bkc h MET 145 Ca -0.04 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.44 2bkc h MET 145 Cb 0.67 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 2bkc h MET 145 CO -0.00 0.34 -0.27 0.74 1.06 0.00 0.00 176.91 178.78 2bkc h PHE 146 N 0.23 0.66 -0.46 -0.22 0.05 -0.89 -0.93 116.94 115.38 2bkc h PHE 146 Ca 0.08 -0.15 -0.13 0.00 3.82 0.00 0.00 57.97 61.58 2bkc h PHE 146 Cb 0.12 -0.16 -0.01 0.00 2.00 0.00 0.00 35.95 37.90 2bkc h PHE 146 CO -0.02 0.79 -0.23 0.87 -0.18 0.00 0.00 178.31 179.54 2bkc h LYS 147 N 0.50 0.96 -0.99 1.51 1.57 -1.05 -2.24 116.57 116.84 2bkc h LYS 147 Ca 0.07 -0.42 0.03 0.00 -1.87 0.00 0.00 60.65 58.45 2bkc h LYS 147 Cb 0.73 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.96 2bkc h LYS 147 CO 0.06 1.09 0.65 0.00 -0.57 0.00 0.00 179.45 180.68 2bkc h ALA 148 N 0.85 1.30 -0.97 3.86 0.00 -0.60 -0.27 119.26 123.43 2bkc h ALA 148 Ca 0.10 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.04 2bkc h ALA 148 Cb 0.81 -0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2bkc h ALA 148 CO 0.07 0.57 0.62 0.35 0.00 0.00 0.00 179.25 180.85 2bkc h PHE 149 N 1.28 1.13 0.00 0.00 3.57 -1.00 -2.25 116.94 119.67 2bkc h PHE 149 Ca 0.39 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.92 2bkc h PHE 149 Cb -0.04 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.33 2bkc h PHE 149 CO -0.00 0.55 0.00 1.28 -2.23 0.00 0.00 178.31 177.91 2bkc n LEU 150 N -4.56 0.00 0.00 0.59 4.77 -0.19 -4.90 117.00 112.71 2bkc n LEU 150 Ca 0.16 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2bkc n LEU 150 Cb 0.23 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2bkc n LEU 150 CO 0.31 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2bkc n GLY 151 N 0.96 0.97 3.14 -0.72 0.00 -0.82 -5.08 105.19 103.64 2bkc n GLY 151 Ca 0.22 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.81 0.74 0.61 1.61 -0.14 -0.72 -5.01 119.74 115.02 2bkc s LYS 152 Ca 0.00 -1.15 -0.13 0.00 -1.36 0.00 0.00 55.97 53.33 2bkc s LYS 152 Cb 0.00 -0.26 -0.03 0.00 -1.68 0.00 0.00 37.83 35.86 2bkc s LYS 152 CO 0.00 0.01 1.03 0.00 -0.76 0.00 0.00 175.35 175.64 2bkc s ALA 153 N -2.85 2.89 0.38 5.17 0.00 -1.26 -3.02 121.76 123.08 2bkc s ALA 153 Ca 0.05 0.12 0.12 0.00 0.00 0.00 0.00 51.96 52.25 2bkc s ALA 153 Cb -0.00 -3.15 0.92 0.00 0.00 0.00 0.00 23.12 20.89 2bkc s ALA 153 CO -0.03 -0.78 1.88 -1.35 0.00 0.00 0.00 175.76 175.48 2bkc h PRO 154 N -0.02 0.56 -0.44 0.00 0.11 -1.88 -2.62 132.00 127.71 2bkc h PRO 154 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bkc h PRO 154 Cb 1.20 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2bkc h PRO 154 CO 0.59 0.37 0.00 1.28 -0.21 0.00 0.00 178.00 180.03 2bkc n LEU 155 N -4.54 4.01 0.00 2.35 4.77 -1.26 -4.83 117.00 117.50 2bkc n LEU 155 Ca 0.17 -2.51 0.16 0.00 -0.03 0.00 0.00 56.01 53.79 2bkc n LEU 155 Cb 0.52 -0.47 0.92 0.00 -2.33 0.00 0.00 43.42 42.06 2bkc n LEU 155 CO 0.30 0.74 1.08 1.21 -1.33 0.00 0.00 177.39 179.40