#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 1.60 -0.14 -1.34 5.68 -1.26 -4.94 116.55 116.16 2bkc n ASP 8 Ca 0.00 -2.14 -0.08 0.00 -0.50 0.00 0.00 54.79 52.07 2bkc n ASP 8 Cb 0.00 -0.28 -0.00 0.00 -1.14 0.00 0.00 41.12 39.70 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 0.13 1.16 -0.73 2.12 2.02 -1.98 -1.65 112.91 113.98 2bkc h THR 9 Ca -0.20 -0.42 0.15 0.00 0.77 0.00 0.00 66.41 66.70 2bkc h THR 9 Cb 0.90 0.69 -0.10 0.00 -1.74 0.00 0.00 68.15 67.91 2bkc h THR 9 CO 0.29 0.17 0.23 0.11 0.37 0.00 0.00 175.52 176.69 2bkc h LYS 10 N 0.53 0.34 -0.20 6.66 1.57 -1.96 -1.48 116.57 122.03 2bkc h LYS 10 Ca 0.14 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.72 2bkc h LYS 10 Cb 0.07 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2bkc h LYS 10 CO -0.02 0.23 -0.61 0.93 -0.57 0.00 0.00 179.45 179.40 2bkc h GLU 11 N 0.35 0.70 -0.44 3.15 3.07 -1.87 -2.45 114.58 117.10 2bkc h GLU 11 Ca 0.40 -0.48 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 2bkc h GLU 11 Cb 0.64 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.60 2bkc h GLU 11 CO -0.44 1.10 0.23 0.35 -1.40 0.00 0.00 179.01 178.85 2bkc h PHE 12 N 0.52 0.61 -0.20 4.33 3.57 -0.74 -1.66 116.94 123.36 2bkc h PHE 12 Ca -0.01 -0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.29 2bkc h PHE 12 Cb 1.20 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 2bkc h PHE 12 CO 0.06 0.47 -0.61 -0.07 -2.23 0.00 0.00 178.31 175.94 2bkc h LEU 13 N 0.57 0.77 -0.58 0.59 4.07 -1.30 -2.09 115.31 117.34 2bkc h LEU 13 Ca 0.15 -0.44 -0.15 0.00 0.08 0.00 0.00 57.88 57.52 2bkc h LEU 13 Cb 0.08 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 2bkc h LEU 13 CO -0.02 1.20 -0.54 -1.13 -1.08 0.00 0.00 178.44 176.87 2bkc h ASN 14 N 0.51 0.53 -0.57 -0.43 -0.73 -1.39 -1.13 115.58 112.37 2bkc h ASN 14 Ca -0.00 -0.28 0.00 0.00 1.87 0.00 0.00 56.30 57.89 2bkc h ASN 14 Cb 1.19 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 39.60 2bkc h ASN 14 CO 0.12 0.97 0.36 -0.74 -0.37 0.00 0.00 177.43 177.77 2bkc h HIS 15 N 0.37 0.73 0.00 0.67 2.76 -1.07 -2.23 115.15 116.38 2bkc h HIS 15 Ca 0.01 0.01 -0.19 0.00 -2.20 0.00 0.00 60.37 58.00 2bkc h HIS 15 Cb 1.06 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.75 2bkc h HIS 15 CO 0.04 0.47 -0.90 1.96 -1.30 0.00 0.00 177.93 178.20 2bkc h GLN 16 N 0.78 0.00 -0.92 5.26 1.08 -0.65 -1.08 115.11 119.57 2bkc h GLN 16 Ca 0.21 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.49 2bkc h GLN 16 Cb -0.06 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.29 2bkc h GLN 16 CO -0.04 0.90 0.57 0.28 -0.95 0.00 0.00 178.83 179.59 2bkc h VAL 17 N 0.00 0.99 0.04 -0.54 2.07 -0.85 -0.56 116.25 117.41 2bkc h VAL 17 Ca -0.01 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2bkc h VAL 17 Cb 1.65 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2bkc h VAL 17 CO 0.12 0.18 -0.02 0.00 0.02 0.00 0.00 177.57 177.87 2bkc h ALA 18 N 1.46 -0.06 -0.81 1.67 0.00 -1.14 -2.96 119.26 117.41 2bkc h ALA 18 Ca 0.42 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 55.28 2bkc h ALA 18 Cb 0.29 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.99 2bkc h ALA 18 CO -0.21 -0.31 0.33 -0.91 0.00 0.00 0.00 179.25 178.15 2bkc h ASN 19 N -0.50 0.29 0.50 0.00 2.35 -1.08 -2.60 115.58 114.54 2bkc h ASN 19 Ca -0.01 0.13 -0.16 0.00 -0.55 0.00 0.00 56.30 55.71 2bkc h ASN 19 Cb 0.46 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 2bkc h ASN 19 CO 0.01 0.07 -0.70 -0.07 -1.65 0.00 0.00 177.43 175.09 2bkc h LEU 20 N 0.43 0.20 -0.31 1.61 4.07 -1.15 0.56 115.31 120.73 2bkc h LEU 20 Ca 0.47 -0.13 -0.10 0.00 0.08 0.00 0.00 57.88 58.19 2bkc h LEU 20 Cb 0.77 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 2bkc h LEU 20 CO -0.45 0.83 -0.21 0.78 -1.08 0.00 0.00 178.44 178.32 2bkc h ASN 21 N 0.11 0.71 -0.40 -0.43 2.35 -1.33 -1.34 115.58 115.26 2bkc h ASN 21 Ca -0.02 -0.43 -0.02 0.00 -0.55 0.00 0.00 56.30 55.28 2bkc h ASN 21 Cb 1.24 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 2bkc h ASN 21 CO 0.10 0.99 0.18 0.58 -1.65 0.00 0.00 177.43 177.63 2bkc h VAL 22 N 0.43 1.18 -0.48 2.81 2.07 -1.34 -2.96 116.25 117.97 2bkc h VAL 22 Ca 0.06 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.05 2bkc h VAL 22 Cb 0.75 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2bkc h VAL 22 CO 0.06 0.20 0.32 0.15 0.02 0.00 0.00 177.57 178.31 2bkc h PHE 23 N 0.50 0.60 -0.90 1.57 3.57 -0.70 -1.73 116.94 119.85 2bkc h PHE 23 Ca 0.13 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2bkc h PHE 23 Cb 0.15 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 2bkc h PHE 23 CO -0.01 0.37 0.57 0.00 -2.23 0.00 0.00 178.31 177.01 2bkc h THR 24 N 0.64 1.24 -0.35 4.41 1.03 -1.25 0.36 112.91 118.99 2bkc h THR 24 Ca 0.18 -0.49 -0.08 0.00 -0.01 0.00 0.00 66.41 66.00 2bkc h THR 24 Cb -0.07 -0.05 -0.02 0.00 -1.07 0.00 0.00 68.15 66.94 2bkc h THR 24 CO -0.04 0.25 -0.13 0.58 -0.01 0.00 0.00 175.52 176.16 2bkc h VAL 25 N 1.23 1.25 -0.52 0.00 2.07 -1.19 -2.62 116.25 116.48 2bkc h VAL 25 Ca 0.33 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 2bkc h VAL 25 Cb -0.09 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2bkc h VAL 25 CO -0.07 0.37 0.31 0.50 0.02 0.00 0.00 177.57 178.70 2bkc h LYS 26 N 0.57 0.70 -0.84 1.57 3.64 -0.45 -1.89 116.57 119.87 2bkc h LYS 26 Ca 0.10 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2bkc h LYS 26 Cb 0.56 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.18 2bkc h LYS 26 CO 0.04 0.51 0.54 0.82 -2.27 0.00 0.00 179.45 179.09 2bkc h ILE 27 N 0.69 1.15 -0.89 2.00 2.04 -0.61 -0.38 117.51 121.51 2bkc h ILE 27 Ca 0.18 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2bkc h ILE 27 Cb -0.00 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.02 2bkc h ILE 27 CO -0.03 0.20 0.57 0.45 0.00 0.00 0.00 178.15 179.33 2bkc h HIS 28 N 1.07 1.13 -0.77 1.37 3.86 -1.18 -2.66 115.15 117.97 2bkc h HIS 28 Ca 0.33 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.58 2bkc h HIS 28 Cb -0.02 -0.38 -0.04 0.00 1.06 0.00 0.00 27.41 28.03 2bkc h HIS 28 CO -0.02 0.73 0.49 0.37 0.86 0.00 0.00 177.93 180.36 2bkc h GLN 29 N 1.21 0.95 -0.50 2.45 4.15 -0.30 0.27 115.11 123.34 2bkc h GLN 29 Ca 0.32 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.60 2bkc h GLN 29 Cb -0.10 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.35 2bkc h GLN 29 CO -0.07 0.63 -0.00 0.82 -1.93 0.00 0.00 178.83 178.28 2bkc h ILE 30 N 0.98 1.26 -0.43 2.39 2.04 -1.21 -2.24 117.51 120.30 2bkc h ILE 30 Ca 0.30 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 2bkc h ILE 30 Cb -0.02 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2bkc h ILE 30 CO -0.10 0.38 0.15 -0.74 0.00 0.00 0.00 178.15 177.84 2bkc h HIS 31 N 0.75 0.69 -0.07 1.37 2.76 -0.97 -1.36 115.15 118.31 2bkc h HIS 31 Ca 0.14 -0.06 -0.14 0.00 -2.20 0.00 0.00 60.37 58.10 2bkc h HIS 31 Cb 0.52 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 2bkc h HIS 31 CO 0.04 0.62 -0.60 -1.49 -1.30 0.00 0.00 177.93 175.20 2bkc h TRP 32 N 0.56 0.31 -0.02 5.26 6.55 -0.43 -3.31 115.95 124.87 2bkc h TRP 32 Ca 0.14 -0.12 0.00 0.00 0.95 0.00 0.00 58.89 59.86 2bkc h TRP 32 Cb 0.24 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 28.49 2bkc h TRP 32 CO 0.01 0.78 -0.09 0.66 -1.05 0.00 0.00 178.44 178.75 2bkc n TYR 33 N -3.88 0.00 -2.08 0.49 4.02 -0.85 -4.99 117.16 109.87 2bkc n TYR 33 Ca -0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.47 2bkc n TYR 33 Cb 0.61 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.93 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 -1.34 4.00 0.06 -0.72 0.23 -0.52 -4.98 119.30 116.03 2bkc s MET 34 Ca 0.15 2.13 -0.05 0.00 -1.03 0.00 0.00 55.69 56.89 2bkc s MET 34 Cb 0.12 -2.77 -0.02 0.00 -1.53 0.00 0.00 34.83 30.63 2bkc s MET 34 CO 0.23 -0.46 0.08 1.03 -2.03 0.00 0.00 175.02 173.87 2bkc s ARG 35 N -2.22 0.68 0.00 3.16 0.52 -1.26 -4.99 118.95 114.84 2bkc s ARG 35 Ca 0.56 -0.99 0.00 0.00 -0.52 0.00 0.00 55.73 54.78 2bkc s ARG 35 Cb -0.37 0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.36 2bkc s ARG 35 CO 0.48 -0.18 0.00 0.41 0.02 0.00 0.00 175.30 176.03 2bkc n GLY 36 N 0.25 2.07 0.21 -3.53 0.00 -1.26 -4.31 105.19 98.62 2bkc n GLY 36 Ca -0.16 -2.17 0.10 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.70 1.61 3.86 -2.07 -2.15 115.15 115.70 2bkc h HIS 37 Ca 0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 2bkc h HIS 37 Cb 0.00 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.36 2bkc h HIS 37 CO 0.00 0.00 0.22 0.09 0.86 0.00 0.00 177.93 179.10 2bkc n ASN 38 N -2.33 4.91 -0.06 2.45 4.13 -1.26 -4.62 115.26 118.48 2bkc n ASN 38 Ca -0.01 -3.20 -0.15 0.00 1.68 0.00 0.00 54.58 52.90 2bkc n ASN 38 Cb 0.25 -0.73 -0.03 0.00 -1.54 0.00 0.00 39.78 37.72 2bkc n ASN 38 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2bkc h PHE 39 N 2.80 1.06 0.13 3.10 3.57 -1.72 -2.37 116.94 123.52 2bkc h PHE 39 Ca 0.23 -0.39 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 2bkc h PHE 39 Cb 2.26 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.81 2bkc h PHE 39 CO 1.25 1.21 -0.06 0.74 -2.23 0.00 0.00 178.31 179.22 2bkc h PHE 40 N 0.63 -0.16 -0.42 0.41 -1.00 -1.86 -1.86 116.94 112.68 2bkc h PHE 40 Ca 0.01 -0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 2bkc h PHE 40 Cb 1.18 0.05 -0.02 0.00 3.61 0.00 0.00 35.95 40.78 2bkc h PHE 40 CO 0.07 0.29 -0.08 0.00 -1.61 0.00 0.00 178.31 176.98 2bkc h THR 41 N -0.71 1.25 0.00 -1.55 1.03 -1.88 -2.80 112.91 108.24 2bkc h THR 41 Ca -0.02 -1.09 -0.15 0.00 -0.01 0.00 0.00 66.41 65.14 2bkc h THR 41 Cb 0.52 1.02 -0.02 0.00 -1.07 0.00 0.00 68.15 68.60 2bkc h THR 41 CO 0.03 0.37 -0.74 -0.07 -0.01 0.00 0.00 175.52 175.11 2bkc h LEU 42 N 0.67 0.00 -0.52 0.00 -0.00 -1.55 -3.09 115.31 110.82 2bkc h LEU 42 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.96 2bkc h LEU 42 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.17 2bkc h LEU 42 CO 0.03 0.68 0.17 1.23 -0.00 0.00 0.00 178.44 180.55 2bkc h GLY 43 N 3.35 0.86 1.25 0.83 0.00 -1.08 -0.42 103.07 107.85 2bkc h GLY 43 Ca -0.02 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 46.72 2bkc h GLY 43 CO 0.09 0.47 -0.03 1.05 0.00 0.00 0.00 176.54 178.11 2bkc h GLU 44 N 0.71 0.90 0.00 4.80 4.11 -1.60 -2.41 114.58 121.09 2bkc h GLU 44 Ca 0.17 -0.28 -0.07 0.00 0.07 0.00 0.00 59.36 59.25 2bkc h GLU 44 Cb 0.26 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2bkc h GLU 44 CO -0.01 0.91 -0.35 0.87 0.07 0.00 0.00 179.01 180.51 2bkc h LYS 45 N 0.83 0.00 -0.11 1.06 1.79 -1.38 -2.03 116.57 116.73 2bkc h LYS 45 Ca 0.15 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.46 2bkc h LYS 45 Cb 0.54 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 2bkc h LYS 45 CO 0.03 0.35 -0.61 0.52 -1.08 0.00 0.00 179.45 178.66 2bkc h MET 46 N 0.00 0.38 0.06 3.15 2.86 -0.89 -1.33 114.93 119.17 2bkc h MET 46 Ca -0.00 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2bkc h MET 46 Cb 0.63 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 2bkc h MET 46 CO 0.05 0.87 -0.04 -0.44 1.06 0.00 0.00 176.91 178.41 2bkc h ASP 47 N 0.28 -0.10 -0.78 1.22 5.19 -1.02 -1.19 116.42 120.02 2bkc h ASP 47 Ca -0.01 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2bkc h ASP 47 Cb 1.14 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.64 2bkc h ASP 47 CO 0.10 -0.07 0.52 0.44 -3.12 0.00 0.00 179.24 177.11 2bkc h ASP 48 N -0.10 0.90 -0.49 6.45 3.32 -1.26 -2.61 116.42 122.64 2bkc h ASP 48 Ca -0.00 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 2bkc h ASP 48 Cb 0.09 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2bkc h ASP 48 CO -0.00 0.66 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.07 2bkc h LEU 49 N 1.07 0.92 0.24 1.55 4.07 -1.19 -1.38 115.31 120.58 2bkc h LEU 49 Ca 0.29 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 2bkc h LEU 49 Cb -0.12 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.38 2bkc h LEU 49 CO -0.06 1.00 -0.11 0.22 -1.08 0.00 0.00 178.44 178.40 2bkc h TYR 50 N 0.85 -0.29 -0.44 1.13 5.03 -0.94 0.98 116.97 123.28 2bkc h TYR 50 Ca 0.15 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.52 2bkc h TYR 50 Cb 0.55 0.10 -0.05 0.00 1.55 0.00 0.00 36.73 38.88 2bkc h TYR 50 CO 0.03 -0.01 0.13 0.77 -1.32 0.00 0.00 178.16 177.77 2bkc h SER 51 N -0.57 0.11 -0.73 -2.11 0.02 -1.49 -1.21 113.55 107.59 2bkc h SER 51 Ca -0.03 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2bkc h SER 51 Cb 0.41 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 2bkc h SER 51 CO 0.05 0.10 0.32 -0.08 -1.14 0.00 0.00 176.83 176.08 2bkc h GLU 52 N 0.29 1.07 0.00 3.45 4.81 -1.00 -0.83 114.58 122.37 2bkc h GLU 52 Ca 0.21 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2bkc h GLU 52 Cb 0.23 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 2bkc h GLU 52 CO -0.23 0.86 -0.10 0.74 -0.73 0.00 0.00 179.01 179.54 2bkc h PHE 53 N 1.03 0.00 -0.13 0.92 -1.00 -0.68 -1.43 116.94 115.66 2bkc h PHE 53 Ca 0.25 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.85 2bkc h PHE 53 Cb 0.17 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.73 2bkc h PHE 53 CO 0.01 0.09 -0.65 0.78 -1.61 0.00 0.00 178.31 176.93 2bkc h GLY 54 N 3.92 0.54 1.15 -1.45 0.00 -0.86 -1.79 103.07 104.58 2bkc h GLY 54 Ca -0.00 -0.70 -0.17 0.00 0.00 0.00 0.00 47.33 46.46 2bkc h GLY 54 CO 0.01 0.62 -0.44 -2.09 0.00 0.00 0.00 176.54 174.65 2bkc h GLU 55 N 0.36 0.92 -0.94 4.80 4.57 -1.03 -1.62 114.58 121.63 2bkc h GLU 55 Ca -0.01 -0.51 0.10 0.00 -1.18 0.00 0.00 59.36 57.75 2bkc h GLU 55 Cb 1.21 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.75 2bkc h GLU 55 CO 0.12 1.16 0.58 1.96 -1.18 0.00 0.00 179.01 181.65 2bkc h GLN 56 N 0.74 0.95 -0.09 1.92 4.20 -1.16 0.26 115.11 121.93 2bkc h GLN 56 Ca 0.05 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 2bkc h GLN 56 Cb 1.04 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2bkc h GLN 56 CO 0.10 0.63 -0.16 1.98 -0.67 0.00 0.00 178.83 180.71 2bkc h MET 57 N 0.97 0.26 -0.84 1.46 4.05 -1.12 -0.34 114.93 119.37 2bkc h MET 57 Ca 0.45 -0.16 0.10 0.00 -0.28 0.00 0.00 59.70 59.81 2bkc h MET 57 Cb 0.36 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.12 2bkc h MET 57 CO -0.23 0.75 0.55 0.22 0.23 0.00 0.00 176.91 178.42 2bkc h ASP 58 N -0.20 0.71 -0.45 1.39 1.82 -0.99 -0.26 116.42 118.43 2bkc h ASP 58 Ca 0.00 0.02 -0.10 0.00 -0.39 0.00 0.00 57.03 56.57 2bkc h ASP 58 Cb 0.74 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 2bkc h ASP 58 CO 0.04 0.41 -0.09 -0.33 -1.61 0.00 0.00 179.24 177.66 2bkc h GLU 59 N 0.78 0.86 -0.52 0.28 4.39 -0.53 -1.37 114.58 118.48 2bkc h GLU 59 Ca 0.39 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2bkc h GLU 59 Cb 0.47 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2bkc h GLU 59 CO -0.16 0.95 0.29 0.28 -1.16 0.00 0.00 179.01 179.21 2bkc h VAL 60 N 0.70 1.17 -0.06 3.13 2.07 -0.53 -0.94 116.25 121.79 2bkc h VAL 60 Ca 0.12 -0.44 -0.18 0.00 0.82 0.00 0.00 66.70 67.02 2bkc h VAL 60 Cb 0.63 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2bkc h VAL 60 CO 0.04 0.18 -0.74 0.00 0.02 0.00 0.00 177.57 177.07 2bkc h ALA 61 N 1.13 0.62 -0.02 1.67 0.00 -0.88 -1.52 119.26 120.25 2bkc h ALA 61 Ca 0.18 -0.62 -0.19 0.00 0.00 0.00 0.00 54.91 54.28 2bkc h ALA 61 Cb 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2bkc h ALA 61 CO -0.03 0.79 -0.82 0.93 0.00 0.00 0.00 179.25 180.12 2bkc h GLU 62 N 0.22 0.23 -0.19 0.00 5.08 -1.16 -2.00 114.58 116.77 2bkc h GLU 62 Ca -0.03 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.00 2bkc h GLU 62 Cb 1.32 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 2bkc h GLU 62 CO 0.12 0.93 -0.34 -0.09 -1.00 0.00 0.00 179.01 178.63 2bkc h ARG 63 N 0.14 0.40 -0.40 2.33 9.65 -1.03 -1.52 114.38 123.95 2bkc h ARG 63 Ca -0.04 -0.17 -0.04 0.00 -1.10 0.00 0.00 59.98 58.63 2bkc h ARG 63 Cb 1.42 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.97 2bkc h ARG 63 CO 0.13 0.69 0.09 1.25 2.80 0.00 0.00 179.97 184.93 2bkc h LEU 64 N 0.34 0.61 -0.38 3.80 5.85 -0.84 -2.79 115.31 121.90 2bkc h LEU 64 Ca 0.04 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 2bkc h LEU 64 Cb 0.76 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2bkc h LEU 64 CO 0.06 0.69 0.23 -0.07 -0.34 0.00 0.00 178.44 179.01 2bkc h LEU 65 N 0.50 0.46 -1.44 2.25 -0.00 -1.33 -1.90 115.31 113.85 2bkc h LEU 65 Ca 0.12 -0.05 0.21 0.00 -0.00 0.00 0.00 57.88 58.17 2bkc h LEU 65 Cb 0.33 -0.12 -0.07 0.00 -0.00 0.00 0.00 40.66 40.80 2bkc h LEU 65 CO 0.00 0.37 0.62 0.00 -0.00 0.00 0.00 178.44 179.43 2bkc h ALA 66 N 1.11 2.17 -0.50 1.53 0.00 -1.11 -0.47 119.26 121.97 2bkc h ALA 66 Ca 0.14 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2bkc h ALA 66 Cb -0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2bkc h ALA 66 CO -0.03 -0.48 0.14 0.44 0.00 0.00 0.00 179.25 179.32 2bkc n ILE 67 N -4.55 2.17 -1.32 0.00 -5.35 -1.07 -4.93 119.36 104.32 2bkc n ILE 67 Ca 0.21 -1.12 0.00 0.00 -0.27 0.00 0.00 62.75 61.57 2bkc n ILE 67 Cb 0.72 -0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 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 0.12 0.40 2.38 3.28 0.00 -0.19 -5.04 105.19 106.15 2bkc n GLY 68 Ca 0.27 -1.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.27 2.74 2.58 -0.02 0.00 -0.73 -5.01 105.19 102.48 2bkc n GLY 69 Ca 0.00 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 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 3.63 0.26 1.61 0.01 -1.26 -4.30 113.70 110.61 2bkc s SER 70 Ca 0.22 -1.43 -0.30 0.00 1.31 0.00 0.00 55.95 55.75 2bkc s SER 70 Cb -0.02 -0.48 -0.09 0.00 0.21 0.00 0.00 66.02 65.64 2bkc s SER 70 CO 0.14 -0.43 1.24 -2.16 0.41 0.00 0.00 173.24 172.45 2bkc s PRO 71 N 1.91 4.45 0.22 12.44 0.04 -1.26 -4.98 135.00 147.83 2bkc s PRO 71 Ca 0.10 2.02 -0.31 0.00 0.04 0.00 0.00 61.00 62.84 2bkc s PRO 71 Cb -0.17 -3.16 -0.15 0.00 0.04 0.00 0.00 34.50 31.07 2bkc s PRO 71 CO -0.32 -0.10 1.23 1.19 0.04 0.00 0.00 177.00 179.04 2bkc n PHE 72 N 1.71 1.62 -2.34 0.56 0.99 -1.26 -4.91 117.46 113.82 2bkc n PHE 72 Ca 0.02 0.59 -0.01 0.00 -0.00 0.00 0.00 57.45 58.06 2bkc n PHE 72 Cb 0.43 -2.34 -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 1.92 0.08 -3.94 4.37 3.41 -1.26 -4.93 113.62 113.27 2bkc n SER 73 Ca 0.13 -2.02 -0.10 0.00 -0.26 0.00 0.00 58.87 56.62 2bkc n SER 73 Cb 0.28 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.13 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 -0.31 0.12 0.16 6.66 -4.23 -1.26 -5.05 115.64 111.73 2bkc s THR 74 Ca 0.18 -0.98 -0.16 0.00 -1.18 0.00 0.00 61.69 59.56 2bkc s THR 74 Cb 0.24 -0.62 0.02 0.00 1.34 0.00 0.00 72.50 73.47 2bkc s THR 74 CO -0.09 -0.54 1.77 -0.07 -0.54 0.00 0.00 174.62 175.15 2bkc h LEU 75 N 4.08 0.24 -0.67 4.79 4.07 -1.99 -1.62 115.31 124.21 2bkc h LEU 75 Ca -0.32 0.03 0.12 0.00 0.08 0.00 0.00 57.88 57.78 2bkc h LEU 75 Cb 1.19 -0.02 -0.12 0.00 1.08 0.00 0.00 40.66 42.79 2bkc h LEU 75 CO 0.46 0.18 -0.33 0.50 -1.08 0.00 0.00 178.44 178.17 2bkc h LYS 76 N 0.36 -0.12 -0.45 1.13 3.64 -1.99 -1.39 116.57 117.74 2bkc h LYS 76 Ca 0.16 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 2bkc h LYS 76 Cb 0.09 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2bkc h LYS 76 CO -0.13 -0.08 0.10 0.93 -2.27 0.00 0.00 179.45 178.00 2bkc h GLU 77 N -0.12 0.68 -0.47 1.90 5.08 -1.83 -2.18 114.58 117.64 2bkc h GLU 77 Ca 0.26 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 2bkc h GLU 77 Cb 0.56 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2bkc h GLU 77 CO -0.74 0.63 -0.10 0.74 -1.00 0.00 0.00 179.01 178.54 2bkc h PHE 78 N 0.66 1.00 0.00 4.33 0.05 -0.34 -2.55 116.94 120.09 2bkc h PHE 78 Ca 0.15 -0.21 -0.08 0.00 3.82 0.00 0.00 57.97 61.65 2bkc h PHE 78 Cb 0.26 -0.25 -0.01 0.00 2.00 0.00 0.00 35.95 37.95 2bkc h PHE 78 CO 0.01 0.98 -0.38 -0.07 -0.18 0.00 0.00 178.31 178.67 2bkc h LEU 79 N 0.74 0.00 -1.14 1.54 3.38 -1.19 -0.35 115.31 118.29 2bkc h LEU 79 Ca 0.12 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2bkc h LEU 79 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2bkc h LEU 79 CO 0.04 0.38 -0.37 -0.33 0.09 0.00 0.00 178.44 178.25 2bkc h GLU 80 N 0.00 0.00 0.00 1.13 5.08 -1.11 -3.37 114.58 116.31 2bkc h GLU 80 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bkc h GLU 80 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2bkc h GLU 80 CO 0.05 0.37 -0.37 0.09 -1.00 0.00 0.00 179.01 178.15 2bkc n ASN 81 N -3.75 1.56 -4.75 1.42 4.13 -0.95 -5.04 115.26 107.89 2bkc n ASN 81 Ca -0.01 -0.36 -0.41 0.00 1.68 0.00 0.00 54.58 55.49 2bkc n ASN 81 Cb 0.46 1.02 -0.04 0.00 -1.54 0.00 0.00 39.78 39.67 2bkc n ASN 81 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2bkc s ALA 82 N -1.42 3.39 -0.41 5.41 0.00 -0.18 -4.84 121.76 123.70 2bkc s ALA 82 Ca 0.00 0.84 0.23 0.00 0.00 0.00 0.00 51.96 53.03 2bkc s ALA 82 Cb 0.01 -3.33 0.08 0.00 0.00 0.00 0.00 23.12 19.87 2bkc s ALA 82 CO 0.04 -0.17 1.08 -1.13 0.00 0.00 0.00 175.76 175.58 2bkc n SER 83 N 1.82 0.71 -4.73 0.00 3.41 -1.26 -4.89 113.62 108.68 2bkc n SER 83 Ca 0.01 0.13 -0.42 0.00 -0.26 0.00 0.00 58.87 58.33 2bkc n SER 83 Cb 0.46 0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 64.92 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 -3.28 3.09 0.04 -3.33 1.01 -1.26 -5.01 120.40 111.65 2bkc s VAL 84 Ca 0.02 0.84 -0.02 0.00 0.00 0.00 0.00 61.98 62.82 2bkc s VAL 84 Cb 0.12 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2bkc s VAL 84 CO 0.78 0.10 0.22 -1.61 0.00 0.00 0.00 175.10 174.60 2bkc s GLU 85 N 0.39 3.47 0.12 2.72 2.02 -1.26 -4.97 118.70 121.18 2bkc s GLU 85 Ca 0.61 -0.32 0.06 0.00 0.02 0.00 0.00 54.97 55.34 2bkc s GLU 85 Cb -0.38 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 2bkc s GLU 85 CO 0.36 0.62 -0.14 -1.83 0.02 0.00 0.00 175.26 174.29 2bkc s GLU 86 N -2.22 1.00 -0.05 1.61 -1.05 -1.26 -5.02 118.70 111.71 2bkc s GLU 86 Ca 0.32 -1.22 -0.06 0.00 -0.15 0.00 0.00 54.97 53.86 2bkc s GLU 86 Cb -0.13 -0.88 0.01 0.00 -0.44 0.00 0.00 34.13 32.69 2bkc s GLU 86 CO 0.23 0.17 0.15 0.00 0.95 0.00 0.00 175.26 176.76 2bkc s ALA 87 N -2.10 -0.37 0.44 -0.84 0.00 -1.26 -5.15 121.76 112.48 2bkc s ALA 87 Ca 0.08 0.37 -0.24 0.00 0.00 0.00 0.00 51.96 52.17 2bkc s ALA 87 Cb -0.05 -0.21 -0.09 0.00 0.00 0.00 0.00 23.12 22.76 2bkc s ALA 87 CO 0.03 -0.09 1.11 -2.30 0.00 0.00 0.00 175.76 174.51 2bkc n PRO 88 N 2.82 1.52 -2.65 0.00 -0.02 -1.26 -4.94 135.00 130.48 2bkc n PRO 88 Ca -0.14 0.55 -0.43 0.00 -2.02 0.00 0.00 63.50 61.46 2bkc n PRO 88 Cb 0.59 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 2bkc n PRO 88 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2bkc s TYR 89 N -1.27 2.97 0.04 6.00 5.04 -1.26 -4.82 117.35 124.04 2bkc s TYR 89 Ca 0.64 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 56.15 2bkc s TYR 89 Cb -0.52 -4.07 0.00 0.00 0.35 0.00 0.00 41.96 37.72 2bkc s TYR 89 CO 0.56 -1.04 0.00 0.25 -1.34 0.00 0.00 175.55 173.98 2bkc n THR 90 N 6.39 0.15 -2.43 4.34 -2.24 -1.26 -5.06 114.28 114.16 2bkc n THR 90 Ca 0.11 0.05 -0.39 0.00 -2.27 0.00 0.00 64.05 61.55 2bkc n THR 90 Cb 0.48 -0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 67.98 2bkc n THR 90 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2bkc s LYS 91 N -1.20 4.39 0.69 -0.78 1.02 -1.26 -5.01 119.74 117.59 2bkc s LYS 91 Ca 0.00 1.77 -0.16 0.00 0.02 0.00 0.00 55.97 57.60 2bkc s LYS 91 Cb 0.00 -2.92 0.02 0.00 -0.52 0.00 0.00 37.83 34.40 2bkc s LYS 91 CO 0.00 -0.01 1.23 -2.14 -0.92 0.00 0.00 175.35 173.51 2bkc s PRO 92 N -1.89 2.34 -0.01 -1.68 0.02 -1.26 -5.05 135.00 127.46 2bkc s PRO 92 Ca 0.50 1.85 -0.01 0.00 0.02 0.00 0.00 61.00 63.37 2bkc s PRO 92 Cb -0.30 -1.85 0.01 0.00 0.02 0.00 0.00 34.50 32.38 2bkc s PRO 92 CO 0.38 -1.70 0.02 0.15 -0.33 0.00 0.00 177.00 175.52 2bkc s LYS 93 N -3.70 0.01 0.85 5.54 1.02 -1.26 -5.16 119.74 117.04 2bkc s LYS 93 Ca 0.77 0.07 -0.10 0.00 0.02 0.00 0.00 55.97 56.73 2bkc s LYS 93 Cb -0.32 -0.06 0.10 0.00 -0.52 0.00 0.00 37.83 37.04 2bkc s LYS 93 CO 0.42 -0.05 1.11 0.99 -0.92 0.00 0.00 175.35 176.91 2bkc s THR 94 N 0.30 2.74 0.19 2.17 2.01 -1.26 -4.84 115.64 116.93 2bkc s THR 94 Ca -0.02 0.24 -0.12 0.00 0.31 0.00 0.00 61.69 62.09 2bkc s THR 94 Cb -0.03 -2.53 0.09 0.00 0.01 0.00 0.00 72.50 70.04 2bkc s THR 94 CO -0.01 -0.31 1.76 -0.03 -0.69 0.00 0.00 174.62 175.33 2bkc h MET 95 N -1.50 0.38 -0.65 4.92 4.05 -1.97 -1.74 114.93 118.42 2bkc h MET 95 Ca -0.44 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.00 2bkc h MET 95 Cb 1.25 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.92 2bkc h MET 95 CO 0.48 0.25 0.37 -0.44 0.23 0.00 0.00 176.91 177.80 2bkc h ASP 96 N 0.39 0.57 0.31 1.39 5.19 -1.94 0.18 116.42 122.51 2bkc h ASP 96 Ca 0.24 0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.61 2bkc h ASP 96 Cb 0.24 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 2bkc h ASP 96 CO -0.23 0.38 -0.32 1.56 -3.12 0.00 0.00 179.24 177.51 2bkc h GLN 97 N 0.70 0.00 0.03 3.56 4.20 -1.69 -1.15 115.11 120.76 2bkc h GLN 97 Ca 0.29 -0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.76 2bkc h GLN 97 Cb 0.14 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2bkc h GLN 97 CO -0.16 0.32 -1.11 -0.07 -0.67 0.00 0.00 178.83 177.14 2bkc h LEU 98 N 0.00 0.08 -0.26 1.46 3.38 -1.12 -2.93 115.31 115.93 2bkc h LEU 98 Ca -0.00 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 2bkc h LEU 98 Cb 0.56 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2bkc h LEU 98 CO 0.04 1.07 -0.61 0.24 0.09 0.00 0.00 178.44 179.27 2bkc h MET 99 N 0.01 0.00 0.00 1.13 2.86 -0.58 -2.04 114.93 116.31 2bkc h MET 99 Ca -0.06 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.47 2bkc h MET 99 Cb 1.83 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.47 2bkc h MET 99 CO 0.14 0.61 -0.54 0.93 1.06 0.00 0.00 176.91 179.11 2bkc h GLU 100 N 0.00 0.00 0.01 1.72 5.08 -1.25 -0.41 114.58 119.73 2bkc h GLU 100 Ca -0.01 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 2bkc h GLU 100 Cb 1.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 2bkc h GLU 100 CO 0.08 0.54 -0.93 0.22 -1.00 0.00 0.00 179.01 177.91 2bkc h ASP 101 N 0.00 0.37 0.47 1.42 3.58 -1.38 -0.84 116.42 120.03 2bkc h ASP 101 Ca -0.01 -0.30 -0.02 0.00 0.42 0.00 0.00 57.03 57.12 2bkc h ASP 101 Cb 1.31 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2bkc h ASP 101 CO 0.07 1.12 -0.23 0.25 -2.88 0.00 0.00 179.24 177.57 2bkc h LEU 102 N 0.15 -0.54 -0.42 2.28 6.46 -1.11 -1.98 115.31 120.15 2bkc h LEU 102 Ca -0.06 -0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.68 2bkc h LEU 102 Cb 1.57 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 41.62 2bkc h LEU 102 CO 0.15 -0.32 0.27 0.58 -0.62 0.00 0.00 178.44 178.50 2bkc h VAL 103 N -0.72 1.08 -0.63 1.05 2.07 -1.11 -1.11 116.25 116.87 2bkc h VAL 103 Ca -0.06 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.30 2bkc h VAL 103 Cb 0.53 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 2bkc h VAL 103 CO 0.11 0.10 0.39 1.23 0.02 0.00 0.00 177.57 179.42 2bkc h GLY 104 N 0.54 0.91 1.76 2.17 0.00 -1.15 -1.23 103.07 106.08 2bkc h GLY 104 Ca 0.16 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 2bkc h GLY 104 CO -0.05 0.25 -0.03 -0.84 0.00 0.00 0.00 176.54 175.87 2bkc h THR 105 N 0.77 1.15 -0.35 4.70 2.02 -0.68 -2.53 112.91 117.99 2bkc h THR 105 Ca 0.25 -0.60 -0.09 0.00 0.77 0.00 0.00 66.41 66.73 2bkc h THR 105 Cb 0.01 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 2bkc h THR 105 CO -0.10 0.20 -0.17 -0.07 0.37 0.00 0.00 175.52 175.75 2bkc h LEU 106 N 0.30 0.64 -0.10 2.58 3.38 -0.02 -2.41 115.31 119.69 2bkc h LEU 106 Ca 0.07 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 2bkc h LEU 106 Cb 0.26 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2bkc h LEU 106 CO 0.01 0.82 -0.37 -0.33 0.09 0.00 0.00 178.44 178.66 2bkc h GLU 107 N 0.58 0.42 -0.87 1.13 5.08 -1.12 0.35 114.58 120.14 2bkc h GLU 107 Ca 0.09 -0.32 0.09 0.00 -1.00 0.00 0.00 59.36 58.22 2bkc h GLU 107 Cb 0.62 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 2bkc h GLU 107 CO 0.04 0.95 0.56 1.25 -1.00 0.00 0.00 179.01 180.82 2bkc h LEU 108 N -0.02 0.79 -0.13 1.33 6.46 -1.50 0.80 115.31 123.04 2bkc h LEU 108 Ca -0.02 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.70 2bkc h LEU 108 Cb 1.01 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.79 2bkc h LEU 108 CO 0.08 0.47 -0.15 -0.07 -0.62 0.00 0.00 178.44 178.15 2bkc h LEU 109 N 0.88 0.37 -0.66 2.25 3.38 -0.82 -0.60 115.31 120.10 2bkc h LEU 109 Ca 0.40 -0.50 0.13 0.00 0.09 0.00 0.00 57.88 58.00 2bkc h LEU 109 Cb 0.37 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 2bkc h LEU 109 CO -0.16 0.79 0.19 -0.09 0.09 0.00 0.00 178.44 179.26 2bkc h ARG 110 N -0.05 0.31 -0.01 1.13 2.43 -0.08 -0.88 114.38 117.25 2bkc h ARG 110 Ca 0.02 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 2bkc h ARG 110 Cb 0.70 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2bkc h ARG 110 CO 0.04 0.21 -0.91 -0.44 -1.51 0.00 0.00 179.97 177.36 2bkc h ASP 111 N 0.32 0.49 0.45 -3.80 3.32 -0.65 -1.66 116.42 114.89 2bkc h ASP 111 Ca 0.35 -0.38 -0.14 0.00 0.02 0.00 0.00 57.03 56.88 2bkc h ASP 111 Cb 0.53 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2bkc h ASP 111 CO -0.41 1.18 -0.61 -0.33 -1.72 0.00 0.00 179.24 177.35 2bkc h GLU 112 N 0.22 0.15 -0.36 3.56 5.08 -0.95 -2.86 114.58 119.41 2bkc h GLU 112 Ca -0.07 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 2bkc h GLU 112 Cb 1.54 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 2bkc h GLU 112 CO 0.15 0.71 -0.26 1.88 -1.00 0.00 0.00 179.01 180.50 2bkc h TYR 113 N 0.11 0.96 -0.64 4.33 -1.99 -0.91 -1.74 116.97 117.10 2bkc h TYR 113 Ca -0.01 -0.26 0.11 0.00 2.00 0.00 0.00 58.73 60.57 2bkc h TYR 113 Cb 1.10 -0.21 -0.08 0.00 2.00 0.00 0.00 36.73 39.54 2bkc h TYR 113 CO 0.01 1.03 0.22 -0.22 -0.00 0.00 0.00 178.16 179.21 2bkc h LYS 114 N 0.61 0.37 -0.73 4.88 1.63 -1.23 0.22 116.57 122.31 2bkc h LYS 114 Ca 0.07 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.88 2bkc h LYS 114 Cb 0.83 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 32.33 2bkc h LYS 114 CO 0.07 0.24 0.45 0.37 -3.45 0.00 0.00 179.45 177.14 2bkc h GLN 115 N 0.38 0.86 -0.36 1.90 5.75 -1.26 -1.67 115.11 120.71 2bkc h GLN 115 Ca 0.34 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.75 2bkc h GLN 115 Cb 0.46 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 2bkc h GLN 115 CO -0.36 0.57 0.06 0.78 -2.65 0.00 0.00 178.83 177.23 2bkc h GLY 116 N 0.88 0.58 0.90 2.39 0.00 0.20 -1.49 103.07 106.53 2bkc h GLY 116 Ca 0.30 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 2bkc h GLY 116 CO -0.12 0.29 -0.26 -2.22 0.00 0.00 0.00 176.54 174.23 2bkc h ILE 117 N 0.52 1.32 -0.31 2.60 2.04 -0.40 -1.55 117.51 121.73 2bkc h ILE 117 Ca 0.12 -1.44 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 2bkc h ILE 117 Cb 0.25 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2bkc h ILE 117 CO 0.00 0.45 0.19 -0.33 0.00 0.00 0.00 178.15 178.46 2bkc h GLU 118 N 0.29 0.42 0.00 2.37 4.39 -0.89 -0.52 114.58 120.64 2bkc h GLU 118 Ca 0.03 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2bkc h GLU 118 Cb 0.83 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2bkc h GLU 118 CO 0.06 0.33 -0.06 1.37 -1.16 0.00 0.00 179.01 179.55 2bkc h LEU 119 N 0.40 0.00 0.03 1.33 8.10 -1.26 -1.79 115.31 122.11 2bkc h LEU 119 Ca 0.11 0.00 -0.29 0.00 0.11 0.00 0.00 57.88 57.81 2bkc h LEU 119 Cb 0.01 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.19 2bkc h LEU 119 CO -0.02 0.06 -1.66 0.00 -4.11 0.00 0.00 178.44 172.71 2bkc h THR 120 N 0.00 0.93 -0.16 0.15 1.03 -1.07 -2.02 112.91 111.78 2bkc h THR 120 Ca -0.00 -2.74 0.05 0.00 -0.01 0.00 0.00 66.41 63.71 2bkc h THR 120 Cb 0.96 2.50 -0.05 0.00 -1.07 0.00 0.00 68.15 70.48 2bkc h THR 120 CO 0.01 0.61 -0.19 -0.78 -0.01 0.00 0.00 175.52 175.16 2bkc h ASP 121 N 0.01 -0.59 -0.86 0.00 -0.00 -0.98 -1.70 116.42 112.30 2bkc h ASP 121 Ca -0.27 0.11 0.05 0.00 -0.00 0.00 0.00 57.03 56.92 2bkc h ASP 121 Cb 1.99 0.28 -0.05 0.00 -0.00 0.00 0.00 39.33 41.55 2bkc h ASP 121 CO 0.09 -0.24 0.56 0.50 -0.00 0.00 0.00 179.24 180.16 2bkc h LYS 122 N -0.23 0.98 -0.00 0.28 3.11 -1.21 -2.24 116.57 117.26 2bkc h LYS 122 Ca 0.11 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 2bkc h LYS 122 Cb 0.38 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 2bkc h LYS 122 CO -0.29 0.65 -0.34 0.39 -2.81 0.00 0.00 179.45 177.04 2bkc n GLU 123 N -4.47 0.24 -1.76 1.90 1.02 -0.77 -4.93 120.64 111.87 2bkc n GLU 123 Ca 0.12 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2bkc n GLU 123 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 1.44 0.40 3.40 0.62 0.00 -0.84 -4.99 105.19 105.23 2bkc n GLY 124 Ca 0.08 -0.91 -0.45 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.98 7.11 0.22 1.61 3.68 -0.67 -4.90 116.67 120.74 2bkc s ASP 125 Ca 0.00 -3.13 -0.08 0.00 2.13 0.00 0.00 52.55 51.47 2bkc s ASP 125 Cb 0.00 -2.31 0.18 0.00 -1.45 0.00 0.00 42.92 39.34 2bkc s ASP 125 CO 0.00 -0.58 1.83 0.44 0.13 0.00 0.00 175.17 176.99 2bkc h ASP 126 N 7.15 1.05 -0.03 -0.34 3.32 -1.94 -2.30 116.42 123.33 2bkc h ASP 126 Ca 0.23 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2bkc h ASP 126 Cb 0.90 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 2bkc h ASP 126 CO 1.10 0.87 0.01 0.58 -1.72 0.00 0.00 179.24 180.08 2bkc h VAL 127 N 1.16 1.17 -0.76 -1.35 2.07 -1.97 -1.27 116.25 115.31 2bkc h VAL 127 Ca 0.29 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 2bkc h VAL 127 Cb 0.07 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2bkc h VAL 127 CO -0.04 0.14 0.33 0.74 0.02 0.00 0.00 177.57 178.76 2bkc h THR 128 N -0.15 1.25 -0.68 2.57 2.02 -1.96 -1.86 112.91 114.11 2bkc h THR 128 Ca 0.01 -0.76 0.08 0.00 0.77 0.00 0.00 66.41 66.51 2bkc h THR 128 Cb 0.22 0.33 -0.06 0.00 -1.74 0.00 0.00 68.15 66.89 2bkc h THR 128 CO -0.00 0.31 0.35 -1.13 0.37 0.00 0.00 175.52 175.42 2bkc h ASN 129 N 1.09 0.48 -0.35 4.18 -0.73 -1.30 -1.51 115.58 117.44 2bkc h ASN 129 Ca 0.26 0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.46 2bkc h ASN 129 Cb 0.18 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.71 2bkc h ASN 129 CO -0.03 0.29 0.17 -0.78 -0.37 0.00 0.00 177.43 176.72 2bkc h ASP 130 N 0.62 0.46 -0.45 1.15 3.58 -0.77 -2.52 116.42 118.48 2bkc h ASP 130 Ca 0.32 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.66 2bkc h ASP 130 Cb 0.29 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 2bkc h ASP 130 CO -0.23 0.45 0.28 -0.03 -2.88 0.00 0.00 179.24 176.83 2bkc h MET 131 N 0.43 0.55 -0.47 0.28 4.05 -0.76 -1.91 114.93 117.11 2bkc h MET 131 Ca 0.12 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.42 2bkc h MET 131 Cb 0.12 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 2bkc h MET 131 CO -0.02 0.36 -0.07 -0.07 0.23 0.00 0.00 176.91 177.35 2bkc h LEU 132 N 0.56 0.81 -0.47 3.39 4.07 -1.24 -2.58 115.31 119.86 2bkc h LEU 132 Ca 0.18 -0.23 -0.05 0.00 0.08 0.00 0.00 57.88 57.85 2bkc h LEU 132 Cb -0.02 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.49 2bkc h LEU 132 CO -0.07 0.92 0.09 0.40 -1.08 0.00 0.00 178.44 178.70 2bkc h ILE 133 N 0.76 1.24 -0.40 1.22 2.04 -0.98 -1.72 117.51 119.67 2bkc h ILE 133 Ca 0.13 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 2bkc h ILE 133 Cb 0.56 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2bkc h ILE 133 CO 0.03 0.31 0.21 0.00 0.00 0.00 0.00 178.15 178.70 2bkc h ALA 134 N 0.96 0.51 -0.34 1.87 0.00 -1.16 -0.33 119.26 120.77 2bkc h ALA 134 Ca 0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2bkc h ALA 134 Cb 0.37 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2bkc h ALA 134 CO 0.01 0.05 0.01 0.74 0.00 0.00 0.00 179.25 180.06 2bkc h PHE 135 N 0.51 0.53 -0.30 0.00 0.05 -1.39 -2.60 116.94 113.74 2bkc h PHE 135 Ca 0.14 -0.05 -0.16 0.00 3.82 0.00 0.00 57.97 61.71 2bkc h PHE 135 Cb 0.09 -0.16 -0.00 0.00 2.00 0.00 0.00 35.95 37.88 2bkc h PHE 135 CO -0.02 0.52 -0.47 -0.22 -0.18 0.00 0.00 178.31 177.94 2bkc h LYS 136 N 0.50 0.80 -0.78 1.51 3.64 -0.82 -0.93 116.57 120.49 2bkc h LYS 136 Ca 0.11 -0.46 0.13 0.00 -1.27 0.00 0.00 60.65 59.16 2bkc h LYS 136 Cb 0.31 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.07 2bkc h LYS 136 CO 0.01 1.09 0.36 0.00 -2.27 0.00 0.00 179.45 178.64 2bkc h ALA 137 N 0.83 1.12 -0.24 5.00 0.00 -0.68 0.85 119.26 126.13 2bkc h ALA 137 Ca 0.03 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2bkc h ALA 137 Cb 1.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2bkc h ALA 137 CO 0.10 -0.12 -0.07 1.03 0.00 0.00 0.00 179.25 180.19 2bkc h SER 138 N 0.55 0.48 -0.79 0.00 0.87 -1.30 -2.98 113.55 110.38 2bkc h SER 138 Ca 0.41 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2bkc h SER 138 Cb 0.57 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.36 2bkc h SER 138 CO -0.35 0.75 0.45 0.40 -0.53 0.00 0.00 176.83 177.55 2bkc h ILE 139 N 0.20 1.23 -0.87 2.23 2.04 -0.43 -2.07 117.51 119.84 2bkc h ILE 139 Ca 0.06 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.39 2bkc h ILE 139 Cb 0.55 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 2bkc h ILE 139 CO 0.03 0.25 0.58 0.44 0.00 0.00 0.00 178.15 179.44 2bkc h ASP 140 N 1.08 0.99 -0.27 1.72 3.32 -0.86 -2.23 116.42 120.17 2bkc h ASP 140 Ca 0.28 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 2bkc h ASP 140 Cb 0.00 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 2bkc h ASP 140 CO -0.05 0.71 -0.23 0.50 -1.72 0.00 0.00 179.24 178.45 2bkc h LYS 141 N 1.16 0.63 -0.45 3.56 3.64 -1.23 -1.84 116.57 122.04 2bkc h LYS 141 Ca 0.32 -0.32 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2bkc h LYS 141 Cb -0.11 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2bkc h LYS 141 CO -0.08 0.92 0.04 0.45 -2.27 0.00 0.00 179.45 178.51 2bkc h HIS 142 N 0.36 0.73 0.01 1.91 3.86 -1.27 -1.61 115.15 119.14 2bkc h HIS 142 Ca 0.05 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2bkc h HIS 142 Cb 0.79 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2bkc h HIS 142 CO 0.07 0.67 -0.01 0.82 0.86 0.00 0.00 177.93 180.35 2bkc h ILE 143 N 0.67 1.29 -0.27 2.45 2.04 -1.17 -0.77 117.51 121.75 2bkc h ILE 143 Ca 0.14 -0.91 0.05 0.00 1.00 0.00 0.00 64.86 65.14 2bkc h ILE 143 Cb 0.36 1.91 -0.08 0.00 -0.74 0.00 0.00 36.82 38.27 2bkc h ILE 143 CO 0.01 0.23 -0.50 -0.25 0.00 0.00 0.00 178.15 177.65 2bkc h TRP 144 N -0.41 -1.48 -0.63 1.37 7.01 -1.23 -2.05 115.95 118.54 2bkc h TRP 144 Ca -0.00 0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 2bkc h TRP 144 Cb 0.40 0.68 -0.03 0.00 -2.10 0.00 0.00 29.16 28.11 2bkc h TRP 144 CO 0.06 -0.50 0.39 0.52 -2.79 0.00 0.00 178.44 176.12 2bkc h MET 145 N -0.46 0.84 -0.21 2.65 2.86 -1.11 -0.86 114.93 118.64 2bkc h MET 145 Ca 0.08 -0.07 -0.16 0.00 -2.06 0.00 0.00 59.70 57.49 2bkc h MET 145 Cb 0.63 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2bkc h MET 145 CO -0.50 0.59 -0.53 0.74 1.06 0.00 0.00 176.91 178.27 2bkc h PHE 146 N 0.85 0.76 -0.52 -0.22 -1.00 -1.09 -1.49 116.94 114.23 2bkc h PHE 146 Ca 0.23 -0.26 -0.04 0.00 2.81 0.00 0.00 57.97 60.70 2bkc h PHE 146 Cb -0.05 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.34 2bkc h PHE 146 CO -0.02 1.01 0.16 0.87 -1.61 0.00 0.00 178.31 178.72 2bkc h LYS 147 N 0.48 0.81 -0.63 1.51 1.57 -1.01 0.45 116.57 119.74 2bkc h LYS 147 Ca 0.01 -0.17 0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2bkc h LYS 147 Cb 1.07 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.20 2bkc h LYS 147 CO 0.10 0.75 0.30 0.00 -0.57 0.00 0.00 179.45 180.03 2bkc h ALA 148 N 1.02 0.84 -0.81 3.86 0.00 -1.03 0.10 119.26 123.25 2bkc h ALA 148 Ca 0.17 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2bkc h ALA 148 Cb 0.28 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2bkc h ALA 148 CO -0.01 -0.08 0.36 0.35 0.00 0.00 0.00 179.25 179.87 2bkc h PHE 149 N 0.54 1.19 -0.03 0.00 3.57 -0.44 -1.97 116.94 119.79 2bkc h PHE 149 Ca 0.30 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2bkc h PHE 149 Cb 0.29 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2bkc h PHE 149 CO -0.12 0.87 0.00 1.28 -2.23 0.00 0.00 178.31 178.11 2bkc n LEU 150 N -4.29 0.55 0.00 0.59 4.77 0.14 -4.91 117.00 113.85 2bkc n LEU 150 Ca 0.08 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 2bkc n LEU 150 Cb 0.16 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2bkc n LEU 150 CO 0.40 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 2bkc n GLY 151 N 0.36 0.83 3.73 -0.72 0.00 -0.39 -5.02 105.19 103.98 2bkc n GLY 151 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 2bkc n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bkc s LYS 152 N -0.05 2.42 0.68 1.61 1.02 0.04 -4.96 119.74 120.50 2bkc s LYS 152 Ca 0.00 -1.47 -0.11 0.00 0.02 0.00 0.00 55.97 54.41 2bkc s LYS 152 Cb 0.00 -2.22 -0.00 0.00 -0.52 0.00 0.00 37.83 35.08 2bkc s LYS 152 CO 0.00 0.18 1.06 0.00 -0.92 0.00 0.00 175.35 175.67 2bkc s ALA 153 N -2.37 2.84 0.29 5.17 0.00 -1.26 -2.91 121.76 123.52 2bkc s ALA 153 Ca 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 2bkc s ALA 153 Cb -0.04 -3.10 0.43 0.00 0.00 0.00 0.00 23.12 20.41 2bkc s ALA 153 CO 0.23 -1.05 1.94 -1.00 0.00 0.00 0.00 175.76 175.88 2bkc h PRO 154 N -0.59 1.04 -0.15 0.00 0.13 -1.88 -3.29 132.00 127.26 2bkc h PRO 154 Ca -0.44 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2bkc h PRO 154 Cb 1.22 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2bkc h PRO 154 CO 0.60 0.73 0.00 1.28 -0.23 0.00 0.00 178.00 180.38 2bkc n LEU 155 N -4.38 2.29 0.00 1.56 4.77 -1.26 -4.85 117.00 115.13 2bkc n LEU 155 Ca 0.08 -1.44 0.01 0.00 -0.03 0.00 0.00 56.01 54.63 2bkc n LEU 155 Cb 0.07 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 2bkc n LEU 155 CO 0.37 0.51 0.30 -0.62 -1.33 0.00 0.00 177.39 176.63