#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkc n ASP 8 N 0.00 0.78 -0.11 4.52 5.68 -1.26 -5.01 116.55 121.16 2bkc n ASP 8 Ca 0.00 -1.06 -0.13 0.00 -0.50 0.00 0.00 54.79 53.09 2bkc n ASP 8 Cb 0.00 -0.01 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 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 0.36 1.27 -0.64 2.12 2.02 -1.98 -2.37 112.91 113.69 2bkc h THR 9 Ca -0.01 -1.58 0.11 0.00 0.77 0.00 0.00 66.41 65.69 2bkc h THR 9 Cb 0.05 1.42 -0.08 0.00 -1.74 0.00 0.00 68.15 67.79 2bkc h THR 9 CO 0.02 0.53 0.22 0.11 0.37 0.00 0.00 175.52 176.77 2bkc h LYS 10 N 0.74 0.37 0.00 6.66 1.57 -1.97 -2.24 116.57 121.71 2bkc h LYS 10 Ca 0.05 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 2bkc h LYS 10 Cb 1.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 2bkc h LYS 10 CO 0.10 0.25 -0.59 0.93 -0.57 0.00 0.00 179.45 179.56 2bkc h GLU 11 N 0.38 0.00 0.05 3.15 5.08 -1.93 -1.95 114.58 119.36 2bkc h GLU 11 Ca 0.33 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2bkc h GLU 11 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2bkc h GLU 11 CO -0.35 0.35 -0.02 0.35 -1.00 0.00 0.00 179.01 178.34 2bkc h PHE 12 N 0.00 -0.06 -0.81 4.33 3.57 -1.21 -2.11 116.94 120.65 2bkc h PHE 12 Ca -0.03 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.60 2bkc h PHE 12 Cb 1.32 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 40.00 2bkc h PHE 12 CO 0.00 0.35 0.42 -0.07 -2.23 0.00 0.00 178.31 176.78 2bkc h LEU 13 N -0.49 0.53 -0.86 0.59 4.07 -1.37 -1.87 115.31 115.90 2bkc h LEU 13 Ca -0.01 0.08 -0.10 0.00 0.08 0.00 0.00 57.88 57.93 2bkc h LEU 13 Cb 0.44 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 2bkc h LEU 13 CO 0.01 0.25 -0.20 -1.13 -1.08 0.00 0.00 178.44 176.29 2bkc h ASN 14 N 0.64 0.63 -0.66 -0.43 -1.24 -1.31 -1.67 115.58 111.54 2bkc h ASN 14 Ca 0.43 -0.21 -0.02 0.00 0.71 0.00 0.00 56.30 57.21 2bkc h ASN 14 Cb 0.54 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 39.39 2bkc h ASN 14 CO -0.32 0.83 0.33 -0.74 -1.29 0.00 0.00 177.43 176.23 2bkc h HIS 15 N 0.56 0.96 -0.04 0.67 2.76 -0.65 -2.56 115.15 116.85 2bkc h HIS 15 Ca 0.09 -0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.04 2bkc h HIS 15 Cb 0.65 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 2bkc h HIS 15 CO 0.03 0.70 -0.78 1.96 -1.30 0.00 0.00 177.93 178.54 2bkc h GLN 16 N 0.96 0.28 -0.74 5.26 1.08 -0.70 0.78 115.11 122.03 2bkc h GLN 16 Ca 0.24 -0.26 0.06 0.00 -1.45 0.00 0.00 58.65 57.24 2bkc h GLN 16 Cb 0.10 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.53 2bkc h GLN 16 CO -0.03 0.93 0.43 0.28 -0.95 0.00 0.00 178.83 179.49 2bkc h VAL 17 N 0.18 0.99 -0.13 -0.54 2.07 -1.14 0.45 116.25 118.14 2bkc h VAL 17 Ca -0.03 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 2bkc h VAL 17 Cb 1.36 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2bkc h VAL 17 CO 0.12 0.14 -0.06 0.00 0.02 0.00 0.00 177.57 177.80 2bkc h ALA 18 N 1.37 0.19 0.06 1.67 0.00 -1.23 -2.78 119.26 118.55 2bkc h ALA 18 Ca 0.33 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2bkc h ALA 18 Cb 0.19 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2bkc h ALA 18 CO -0.18 -0.03 -0.36 -0.91 0.00 0.00 0.00 179.25 177.78 2bkc h ASN 19 N -0.06 -1.06 -0.40 0.00 2.35 -0.16 -2.82 115.58 113.44 2bkc h ASN 19 Ca 0.03 0.13 0.05 0.00 -0.55 0.00 0.00 56.30 55.96 2bkc h ASN 19 Cb 0.52 0.41 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 2bkc h ASN 19 CO 0.02 -0.43 0.27 -0.07 -1.65 0.00 0.00 177.43 175.57 2bkc h LEU 20 N -0.55 0.30 -0.28 1.61 -0.00 -0.13 -0.19 115.31 116.06 2bkc h LEU 20 Ca 0.04 -0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.72 2bkc h LEU 20 Cb 0.61 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 2bkc h LEU 20 CO -0.25 0.20 -0.87 0.78 -0.00 0.00 0.00 178.44 178.30 2bkc h ASN 21 N 0.34 0.28 -0.12 -0.43 2.35 -1.35 -0.97 115.58 115.68 2bkc h ASN 21 Ca 0.17 -0.23 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 2bkc h ASN 21 Cb 0.25 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 2bkc h ASN 21 CO -0.04 1.03 -0.07 0.58 -1.65 0.00 0.00 177.43 177.28 2bkc h VAL 22 N 0.12 1.33 0.10 2.81 2.07 -0.97 -3.20 116.25 118.52 2bkc h VAL 22 Ca -0.05 -1.14 0.02 0.00 0.82 0.00 0.00 66.70 66.36 2bkc h VAL 22 Cb 1.50 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 33.06 2bkc h VAL 22 CO 0.14 0.33 -0.36 0.15 0.02 0.00 0.00 177.57 177.84 2bkc h PHE 23 N -0.11 -0.99 -0.66 1.57 3.57 -0.96 -2.03 116.94 117.33 2bkc h PHE 23 Ca 0.02 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.63 2bkc h PHE 23 Cb 0.55 0.42 -0.09 0.00 2.79 0.00 0.00 35.95 39.62 2bkc h PHE 23 CO 0.07 -0.46 -0.32 2.41 -2.23 0.00 0.00 178.31 177.78 2bkc n THR 24 N -5.44 -0.40 -0.16 4.41 -1.04 -0.38 -0.68 114.28 110.59 2bkc n THR 24 Ca -0.07 1.56 -0.04 0.00 -2.04 0.00 0.00 64.05 63.47 2bkc n THR 24 Cb 0.35 -2.00 0.16 0.00 -1.82 0.00 0.00 70.33 67.02 2bkc n THR 24 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2bkc h VAL 25 N 0.00 1.23 -0.50 12.58 2.07 -1.47 -2.28 116.25 127.89 2bkc h VAL 25 Ca 0.17 -0.85 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 2bkc h VAL 25 Cb 0.33 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2bkc h VAL 25 CO -0.63 0.32 -0.02 0.50 0.02 0.00 0.00 177.57 177.75 2bkc h LYS 26 N 0.87 0.89 -0.83 1.57 3.64 -0.28 -1.09 116.57 121.34 2bkc h LYS 26 Ca 0.19 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2bkc h LYS 26 Cb 0.31 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 2bkc h LYS 26 CO -0.00 0.94 0.50 0.82 -2.27 0.00 0.00 179.45 179.44 2bkc h ILE 27 N 0.75 1.23 -0.20 2.00 2.04 -0.52 0.14 117.51 122.95 2bkc h ILE 27 Ca 0.14 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.51 2bkc h ILE 27 Cb 0.55 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2bkc h ILE 27 CO 0.03 0.24 0.11 0.45 0.00 0.00 0.00 178.15 178.98 2bkc h HIS 28 N 1.14 0.21 -0.43 1.37 3.86 -1.09 -1.77 115.15 118.44 2bkc h HIS 28 Ca 0.30 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.59 2bkc h HIS 28 Cb -0.05 -0.07 -0.07 0.00 1.06 0.00 0.00 27.41 28.28 2bkc h HIS 28 CO 0.00 0.12 0.00 0.37 0.86 0.00 0.00 177.93 179.29 2bkc h GLN 29 N 0.23 0.11 0.63 2.45 4.15 0.49 0.57 115.11 123.74 2bkc h GLN 29 Ca 0.08 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 2bkc h GLN 29 Cb 0.00 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 2bkc h GLN 29 CO -0.04 0.07 -0.46 0.82 -1.93 0.00 0.00 178.83 177.29 2bkc h ILE 30 N 0.11 0.00 -0.96 2.39 2.04 -0.96 -1.24 117.51 118.89 2bkc h ILE 30 Ca 0.21 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.38 2bkc h ILE 30 Cb 0.30 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.22 2bkc h ILE 30 CO -0.35 0.00 0.36 -0.74 0.00 0.00 0.00 178.15 177.42 2bkc h HIS 31 N -1.04 0.56 0.05 1.37 2.76 -1.02 0.15 115.15 117.97 2bkc h HIS 31 Ca -0.08 0.05 -0.23 0.00 -2.20 0.00 0.00 60.37 57.91 2bkc h HIS 31 Cb 0.86 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.72 2bkc h HIS 31 CO -0.14 -0.31 -1.03 -1.49 -1.30 0.00 0.00 177.93 173.65 2bkc h TRP 32 N 0.15 0.32 -0.01 5.26 6.55 -0.33 -3.33 115.95 124.56 2bkc h TRP 32 Ca 0.69 -0.21 0.00 0.00 0.95 0.00 0.00 58.89 60.32 2bkc h TRP 32 Cb 1.58 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.86 2bkc h TRP 32 CO -0.17 1.10 -0.28 0.66 -1.05 0.00 0.00 178.44 178.70 2bkc n TYR 33 N -3.56 0.00 -2.08 0.49 4.02 -0.52 -5.00 117.16 110.52 2bkc n TYR 33 Ca -0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.43 2bkc n TYR 33 Cb 0.91 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.21 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 -1.76 4.32 0.07 -0.72 0.23 0.01 -4.97 119.30 116.49 2bkc s MET 34 Ca 0.13 2.25 0.02 0.00 -1.03 0.00 0.00 55.69 57.06 2bkc s MET 34 Cb 0.12 -3.08 -0.03 0.00 -1.53 0.00 0.00 34.83 30.31 2bkc s MET 34 CO 0.36 -0.26 -0.08 1.03 -2.03 0.00 0.00 175.02 174.04 2bkc s ARG 35 N -1.41 0.69 0.00 3.16 0.52 -1.26 -4.98 118.95 115.67 2bkc s ARG 35 Ca 0.52 -1.03 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 2bkc s ARG 35 Cb -0.40 -0.30 0.00 0.00 0.52 0.00 0.00 34.95 34.76 2bkc s ARG 35 CO 0.51 0.03 0.00 0.41 0.02 0.00 0.00 175.30 176.27 2bkc n GLY 36 N 0.79 1.78 0.31 -3.53 0.00 -1.26 -4.48 105.19 98.80 2bkc n GLY 36 Ca -0.18 -2.16 0.20 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.69 1.61 3.86 -2.06 -1.89 115.15 115.98 2bkc h HIS 37 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2bkc h HIS 37 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2bkc h HIS 37 CO 0.00 0.02 0.00 0.09 0.86 0.00 0.00 177.93 178.90 2bkc n ASN 38 N -3.21 3.89 -0.24 2.45 4.13 -1.26 -4.56 115.26 116.46 2bkc n ASN 38 Ca -0.02 -2.00 -0.06 0.00 1.68 0.00 0.00 54.58 54.18 2bkc n ASN 38 Cb 0.15 -0.46 -0.01 0.00 -1.54 0.00 0.00 39.78 37.92 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 4.28 -1.10 -0.25 3.10 3.57 -1.64 0.29 116.94 125.19 2bkc h PHE 39 Ca 0.00 0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 2bkc h PHE 39 Cb 0.99 0.58 -0.01 0.00 2.79 0.00 0.00 35.95 40.30 2bkc h PHE 39 CO 0.46 -0.40 -0.02 0.74 -2.23 0.00 0.00 178.31 176.86 2bkc h PHE 40 N -0.15 0.49 -0.00 0.41 -1.00 -1.84 -0.21 116.94 114.63 2bkc h PHE 40 Ca 0.23 -0.09 -0.24 0.00 2.81 0.00 0.00 57.97 60.67 2bkc h PHE 40 Cb 0.56 -0.13 0.01 0.00 3.61 0.00 0.00 35.95 40.01 2bkc h PHE 40 CO -0.71 0.63 -0.98 0.00 -1.61 0.00 0.00 178.31 175.64 2bkc h THR 41 N 0.21 1.34 0.00 -1.55 1.03 -1.81 -2.86 112.91 109.27 2bkc h THR 41 Ca 0.07 -2.35 -0.17 0.00 -0.01 0.00 0.00 66.41 63.95 2bkc h THR 41 Cb 0.45 2.39 -0.02 0.00 -1.07 0.00 0.00 68.15 69.90 2bkc h THR 41 CO 0.02 0.71 -0.81 -0.07 -0.01 0.00 0.00 175.52 175.36 2bkc h LEU 42 N 0.31 0.00 -0.52 0.00 4.07 -0.50 -2.99 115.31 115.69 2bkc h LEU 42 Ca -0.10 0.00 0.06 0.00 0.08 0.00 0.00 57.88 57.92 2bkc h LEU 42 Cb 1.62 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.31 2bkc h LEU 42 CO 0.18 0.81 0.23 1.23 -1.08 0.00 0.00 178.44 179.81 2bkc h GLY 43 N 2.62 0.71 1.12 0.83 0.00 -1.01 0.12 103.07 107.47 2bkc h GLY 43 Ca -0.01 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 2bkc h GLY 43 CO 0.11 0.07 -0.16 0.83 0.00 0.00 0.00 176.54 177.39 2bkc h GLU 44 N 0.45 1.01 -0.74 4.80 5.08 -1.55 -1.93 114.58 121.70 2bkc h GLU 44 Ca 0.24 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2bkc h GLU 44 Cb 0.19 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2bkc h GLU 44 CO -0.20 1.08 0.45 -0.22 -1.00 0.00 0.00 179.01 179.12 2bkc h LYS 45 N 0.89 1.00 -0.33 2.33 1.63 -1.33 -2.38 116.57 118.38 2bkc h LYS 45 Ca 0.13 -0.09 -0.11 0.00 -0.85 0.00 0.00 60.65 59.73 2bkc h LYS 45 Cb 0.73 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 2bkc h LYS 45 CO 0.06 0.70 -0.26 0.52 -3.45 0.00 0.00 179.45 177.02 2bkc h MET 46 N 1.02 0.68 -1.00 1.90 2.86 -0.37 -0.70 114.93 119.31 2bkc h MET 46 Ca 0.27 -0.28 0.06 0.00 -2.06 0.00 0.00 59.70 57.68 2bkc h MET 46 Cb -0.04 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.53 2bkc h MET 46 CO -0.05 0.87 0.65 -0.44 1.06 0.00 0.00 176.91 179.00 2bkc h ASP 47 N 0.58 1.06 -0.07 1.22 3.32 -1.03 0.11 116.42 121.61 2bkc h ASP 47 Ca 0.08 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.95 2bkc h ASP 47 Cb 0.75 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 40.09 2bkc h ASP 47 CO 0.06 0.69 -0.64 0.44 -1.72 0.00 0.00 179.24 178.07 2bkc h ASP 48 N 1.21 0.69 -0.60 6.45 3.32 -1.07 -2.78 116.42 123.64 2bkc h ASP 48 Ca 0.42 -0.68 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 2bkc h ASP 48 Cb 0.11 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 2bkc h ASP 48 CO -0.16 1.27 0.23 -0.07 -1.72 0.00 0.00 179.24 178.79 2bkc h LEU 49 N 0.17 0.87 -0.60 1.55 4.07 -0.92 -1.85 115.31 118.61 2bkc h LEU 49 Ca -0.06 -0.13 -0.02 0.00 0.08 0.00 0.00 57.88 57.75 2bkc h LEU 49 Cb 1.30 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.79 2bkc h LEU 49 CO 0.13 0.79 0.31 0.22 -1.08 0.00 0.00 178.44 178.82 2bkc h TYR 50 N 0.92 0.83 -0.17 1.13 5.03 -0.76 -1.30 116.97 122.66 2bkc h TYR 50 Ca 0.21 -0.03 -0.20 0.00 2.58 0.00 0.00 58.73 61.29 2bkc h TYR 50 Cb 0.22 -0.26 0.01 0.00 1.55 0.00 0.00 36.73 38.24 2bkc h TYR 50 CO 0.02 0.62 -0.68 0.77 -1.32 0.00 0.00 178.16 177.56 2bkc h SER 51 N 0.81 0.89 -0.48 -2.11 0.02 -1.42 -1.94 113.55 109.31 2bkc h SER 51 Ca 0.21 -0.61 -0.09 0.00 -0.84 0.00 0.00 61.79 60.45 2bkc h SER 51 Cb 0.07 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2bkc h SER 51 CO -0.03 1.35 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.89 2bkc h GLU 52 N 0.48 0.93 0.00 3.45 4.81 -1.23 -0.50 114.58 122.52 2bkc h GLU 52 Ca -0.04 -0.30 -0.12 0.00 -0.13 0.00 0.00 59.36 58.77 2bkc h GLU 52 Cb 1.31 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 2bkc h GLU 52 CO 0.14 0.95 -0.70 0.74 -0.73 0.00 0.00 179.01 179.41 2bkc h PHE 53 N 0.85 0.00 -0.57 0.92 -1.00 -1.32 -1.25 116.94 114.57 2bkc h PHE 53 Ca 0.15 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.84 2bkc h PHE 53 Cb 0.57 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.10 2bkc h PHE 53 CO 0.03 0.54 0.01 0.78 -1.61 0.00 0.00 178.31 178.06 2bkc h GLY 54 N 3.52 1.09 0.95 -1.45 0.00 -1.19 -2.16 103.07 103.83 2bkc h GLY 54 Ca -0.03 -0.80 -0.07 0.00 0.00 0.00 0.00 47.33 46.43 2bkc h GLY 54 CO 0.06 0.73 -0.04 -2.09 0.00 0.00 0.00 176.54 175.21 2bkc h GLU 55 N 0.90 0.72 -0.69 4.80 4.57 -1.05 -2.45 114.58 121.37 2bkc h GLU 55 Ca 0.16 -0.25 0.11 0.00 -1.18 0.00 0.00 59.36 58.20 2bkc h GLU 55 Cb 0.54 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 29.00 2bkc h GLU 55 CO 0.03 0.83 0.30 1.96 -1.18 0.00 0.00 179.01 180.95 2bkc h GLN 56 N 0.53 0.48 -0.51 1.92 4.20 -1.18 -0.92 115.11 119.64 2bkc h GLN 56 Ca 0.11 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 2bkc h GLN 56 Cb 0.53 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2bkc h GLN 56 CO 0.03 0.32 0.22 1.98 -0.67 0.00 0.00 178.83 180.71 2bkc h MET 57 N 0.50 0.75 -0.26 1.46 4.05 -1.19 -0.38 114.93 119.86 2bkc h MET 57 Ca 0.35 -0.12 0.05 0.00 -0.28 0.00 0.00 59.70 59.70 2bkc h MET 57 Cb 0.44 -0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 31.07 2bkc h MET 57 CO -0.32 0.64 -0.04 -0.44 0.23 0.00 0.00 176.91 176.98 2bkc h ASP 58 N 0.68 -0.20 0.47 1.39 3.45 -0.96 -0.18 116.42 121.08 2bkc h ASP 58 Ca 0.17 0.07 -0.09 0.00 0.43 0.00 0.00 57.03 57.62 2bkc h ASP 58 Cb 0.16 0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 2bkc h ASP 58 CO -0.02 -0.07 -0.43 -0.33 -1.57 0.00 0.00 179.24 176.83 2bkc h GLU 59 N 0.03 0.00 -0.17 3.56 5.08 -0.51 0.12 114.58 122.69 2bkc h GLU 59 Ca 0.13 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2bkc h GLU 59 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2bkc h GLU 59 CO -0.25 0.43 -0.10 0.28 -1.00 0.00 0.00 179.01 178.37 2bkc h VAL 60 N 0.00 1.32 -0.80 3.13 2.07 -0.77 -1.60 116.25 119.60 2bkc h VAL 60 Ca -0.00 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 2bkc h VAL 60 Cb 0.78 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 2bkc h VAL 60 CO 0.06 0.35 0.34 0.00 0.02 0.00 0.00 177.57 178.33 2bkc h ALA 61 N 0.67 1.09 -0.02 1.67 0.00 -0.75 -1.79 119.26 120.13 2bkc h ALA 61 Ca 0.04 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 2bkc h ALA 61 Cb 0.58 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2bkc h ALA 61 CO 0.03 0.66 -0.85 0.93 0.00 0.00 0.00 179.25 180.01 2bkc h GLU 62 N 1.16 0.33 -0.46 0.00 5.08 -0.99 -2.61 114.58 117.08 2bkc h GLU 62 Ca 0.27 -0.33 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 2bkc h GLU 62 Cb 0.18 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2bkc h GLU 62 CO -0.03 1.01 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.75 2bkc h ARG 63 N 0.20 0.87 -0.68 2.33 9.65 -0.99 -1.25 114.38 124.52 2bkc h ARG 63 Ca -0.05 -0.32 0.01 0.00 -1.10 0.00 0.00 59.98 58.52 2bkc h ARG 63 Cb 1.46 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.95 2bkc h ARG 63 CO 0.14 0.96 0.45 1.25 2.80 0.00 0.00 179.97 185.56 2bkc h LEU 64 N 0.77 0.77 -0.17 3.80 5.85 -1.32 -2.05 115.31 122.96 2bkc h LEU 64 Ca 0.12 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2bkc h LEU 64 Cb 0.67 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2bkc h LEU 64 CO 0.05 0.55 0.09 -0.07 -0.34 0.00 0.00 178.44 178.73 2bkc h LEU 65 N 0.91 0.15 -1.34 2.25 -0.00 -1.26 0.35 115.31 116.36 2bkc h LEU 65 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 2bkc h LEU 65 Cb -0.10 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.54 2bkc h LEU 65 CO -0.06 0.11 0.00 0.00 -0.00 0.00 0.00 178.44 178.49 2bkc h ALA 66 N 1.08 1.00 -0.71 1.53 0.00 -0.62 -1.49 119.26 120.06 2bkc h ALA 66 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2bkc h ALA 66 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2bkc h ALA 66 CO -0.04 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.65 2bkc n ILE 67 N -2.97 1.26 0.00 0.00 -5.35 -0.83 -4.96 119.36 106.51 2bkc n ILE 67 Ca 0.01 -1.06 0.00 0.00 -0.27 0.00 0.00 62.75 61.43 2bkc n ILE 67 Cb 0.30 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 2bkc n ILE 67 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bkc n GLY 68 N 1.49 0.85 2.71 3.28 0.00 -0.56 -5.05 105.19 107.92 2bkc n GLY 68 Ca 0.25 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.33 0.06 2.67 -0.02 0.00 0.09 -4.99 105.19 101.68 2bkc n GLY 69 Ca 0.00 -1.92 -0.26 0.00 0.00 0.00 0.00 46.02 43.84 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 -4.01 2.53 0.23 1.61 0.01 -1.26 -4.38 113.70 108.42 2bkc s SER 70 Ca 0.48 -0.66 -0.30 0.00 1.31 0.00 0.00 55.95 56.78 2bkc s SER 70 Cb -0.02 -0.40 -0.09 0.00 0.21 0.00 0.00 66.02 65.72 2bkc s SER 70 CO 0.33 -0.32 1.02 -2.16 0.41 0.00 0.00 173.24 172.52 2bkc s PRO 71 N 2.01 4.73 0.21 12.44 0.04 -1.26 -5.02 135.00 148.15 2bkc s PRO 71 Ca 0.01 1.63 -0.31 0.00 0.04 0.00 0.00 61.00 62.37 2bkc s PRO 71 Cb -0.16 -3.26 -0.15 0.00 0.04 0.00 0.00 34.50 30.97 2bkc s PRO 71 CO -0.08 0.32 1.11 1.19 0.04 0.00 0.00 177.00 179.58 2bkc n PHE 72 N 1.65 1.28 -2.34 0.56 0.99 -1.26 -4.89 117.46 113.45 2bkc n PHE 72 Ca -0.01 0.68 0.00 0.00 -0.00 0.00 0.00 57.45 58.13 2bkc n PHE 72 Cb 0.46 -2.27 -0.01 0.00 -1.00 0.00 0.00 39.48 36.66 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 1.78 0.33 -3.84 4.37 3.41 -1.26 -4.94 113.62 113.48 2bkc n SER 73 Ca 0.13 -2.00 -0.11 0.00 -0.26 0.00 0.00 58.87 56.63 2bkc n SER 73 Cb 0.27 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 64.04 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 -0.07 0.10 0.28 6.66 -4.23 -1.26 -5.06 115.64 112.07 2bkc s THR 74 Ca 0.22 -0.86 -0.03 0.00 -1.18 0.00 0.00 61.69 59.84 2bkc s THR 74 Cb 0.26 -0.89 0.26 0.00 1.34 0.00 0.00 72.50 73.47 2bkc s THR 74 CO -0.11 -0.48 1.96 -0.07 -0.54 0.00 0.00 174.62 175.38 2bkc h LEU 75 N 3.48 1.01 0.16 4.79 4.07 -1.99 -2.29 115.31 124.53 2bkc h LEU 75 Ca -0.32 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.62 2bkc h LEU 75 Cb 1.19 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 2bkc h LEU 75 CO 0.48 0.73 -0.14 0.50 -1.08 0.00 0.00 178.44 178.93 2bkc h LYS 76 N 1.19 -0.30 -0.46 1.13 3.64 -1.99 -0.72 116.57 119.06 2bkc h LYS 76 Ca 0.32 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.75 2bkc h LYS 76 Cb -0.14 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2bkc h LYS 76 CO -0.07 -0.20 0.31 0.93 -2.27 0.00 0.00 179.45 178.14 2bkc h GLU 77 N -0.31 0.52 -0.25 1.90 5.08 -1.93 0.04 114.58 119.63 2bkc h GLU 77 Ca -0.00 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 2bkc h GLU 77 Cb 0.29 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2bkc h GLU 77 CO -0.02 0.35 -0.50 0.74 -1.00 0.00 0.00 179.01 178.58 2bkc h PHE 78 N 0.54 0.98 -0.24 4.33 0.05 -0.75 -2.63 116.94 119.22 2bkc h PHE 78 Ca 0.18 -0.35 -0.16 0.00 3.82 0.00 0.00 57.97 61.46 2bkc h PHE 78 Cb 0.06 -0.18 0.00 0.00 2.00 0.00 0.00 35.95 37.83 2bkc h PHE 78 CO -0.00 1.16 -0.46 -0.07 -0.18 0.00 0.00 178.31 178.76 2bkc h LEU 79 N 0.52 0.82 -2.18 1.54 3.38 -0.86 -0.84 115.31 117.69 2bkc h LEU 79 Ca 0.01 -0.54 0.04 0.00 0.09 0.00 0.00 57.88 57.48 2bkc h LEU 79 Cb 1.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2bkc h LEU 79 CO 0.11 1.20 0.13 -0.33 0.09 0.00 0.00 178.44 179.64 2bkc h GLU 80 N 0.47 0.00 0.00 1.13 5.08 -0.99 -3.29 114.58 116.97 2bkc h GLU 80 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2bkc h GLU 80 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2bkc h GLU 80 CO 0.10 0.00 -0.29 0.09 -1.00 0.00 0.00 179.01 177.91 2bkc n ASN 81 N -4.12 1.11 -4.76 1.42 4.13 -1.00 -5.07 115.26 106.98 2bkc n ASN 81 Ca 0.01 -0.41 -0.39 0.00 1.68 0.00 0.00 54.58 55.47 2bkc n ASN 81 Cb 0.25 1.01 -0.06 0.00 -1.54 0.00 0.00 39.78 39.44 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 -1.34 3.30 -0.14 5.41 0.00 -0.33 -4.89 121.76 123.76 2bkc s ALA 82 Ca 0.00 0.61 0.17 0.00 0.00 0.00 0.00 51.96 52.74 2bkc s ALA 82 Cb 0.01 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.85 2bkc s ALA 82 CO 0.05 0.17 1.01 0.66 0.00 0.00 0.00 175.76 177.66 2bkc h SER 83 N 3.79 0.00 -3.48 0.00 4.64 -1.90 -3.46 113.55 113.13 2bkc h SER 83 Ca -0.46 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.33 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 0.67 0.50 0.79 -0.69 -0.87 0.00 0.00 176.83 177.23 2bkc s VAL 84 N -2.98 2.38 0.21 0.95 1.01 -1.26 -5.00 120.40 115.71 2bkc s VAL 84 Ca -0.01 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.35 2bkc s VAL 84 Cb 0.08 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2bkc s VAL 84 CO 0.79 0.06 0.33 -1.61 0.00 0.00 0.00 175.10 174.67 2bkc s GLU 85 N -0.78 3.44 0.07 2.72 2.02 -1.26 -5.00 118.70 119.90 2bkc s GLU 85 Ca 0.59 -0.69 -0.03 0.00 0.02 0.00 0.00 54.97 54.86 2bkc s GLU 85 Cb -0.44 -2.92 -0.03 0.00 0.10 0.00 0.00 34.13 30.84 2bkc s GLU 85 CO 0.48 0.46 0.02 -1.83 0.02 0.00 0.00 175.26 174.42 2bkc s GLU 86 N -3.70 0.69 0.01 1.61 -1.05 -1.26 -4.99 118.70 110.01 2bkc s GLU 86 Ca 0.34 -1.19 -0.26 0.00 -0.15 0.00 0.00 54.97 53.71 2bkc s GLU 86 Cb -0.10 0.24 0.06 0.00 -0.44 0.00 0.00 34.13 33.89 2bkc s GLU 86 CO 0.29 -0.16 0.59 0.00 0.95 0.00 0.00 175.26 176.93 2bkc s ALA 87 N -3.92 -1.53 0.88 -0.84 0.00 -1.26 -5.15 121.76 109.94 2bkc s ALA 87 Ca 0.08 0.92 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 2bkc s ALA 87 Cb 0.07 0.22 0.11 0.00 0.00 0.00 0.00 23.12 23.52 2bkc s ALA 87 CO -0.09 -0.44 1.06 -0.35 0.00 0.00 0.00 175.76 175.93 2bkc n PRO 88 N 0.65 -0.19 -3.21 0.00 -0.04 -1.26 -4.93 135.00 126.03 2bkc n PRO 88 Ca -0.19 0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 62.85 2bkc n PRO 88 Cb 0.59 -2.32 -0.07 0.00 -0.04 0.00 0.00 33.50 31.66 2bkc n PRO 88 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2bkc s TYR 89 N -2.40 3.10 0.00 0.54 5.04 -1.26 -4.91 117.35 117.46 2bkc s TYR 89 Ca 0.68 -0.44 0.00 0.00 -2.44 0.00 0.00 57.07 54.87 2bkc s TYR 89 Cb -0.25 -3.31 0.00 0.00 0.35 0.00 0.00 41.96 38.75 2bkc s TYR 89 CO 0.57 -0.90 0.00 0.25 -1.34 0.00 0.00 175.55 174.12 2bkc n THR 90 N 5.58 0.00 -2.62 4.34 -2.24 -1.26 -5.04 114.28 113.04 2bkc n THR 90 Ca -0.06 0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 2bkc n THR 90 Cb 0.46 -0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 67.93 2bkc n THR 90 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2bkc s LYS 91 N -0.13 4.71 0.31 -0.78 1.02 -1.26 -4.96 119.74 118.64 2bkc s LYS 91 Ca 0.00 1.62 -0.29 0.00 0.02 0.00 0.00 55.97 57.32 2bkc s LYS 91 Cb 0.00 -3.28 -0.13 0.00 -0.52 0.00 0.00 37.83 33.90 2bkc s LYS 91 CO 0.00 0.27 1.23 -2.30 -0.92 0.00 0.00 175.35 173.63 2bkc n PRO 92 N 1.93 1.90 -4.39 -1.68 -0.02 -1.26 -4.99 135.00 126.49 2bkc n PRO 92 Ca 0.00 0.67 -0.25 0.00 -2.02 0.00 0.00 63.50 61.90 2bkc n PRO 92 Cb 0.47 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.64 2bkc n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2bkc s LYS 93 N -1.55 1.80 0.61 -0.52 3.01 -1.26 -5.14 119.74 116.69 2bkc s LYS 93 Ca 0.58 -1.53 -0.07 0.00 -1.01 0.00 0.00 55.97 53.95 2bkc s LYS 93 Cb -0.62 -1.94 0.01 0.00 -1.01 0.00 0.00 37.83 34.27 2bkc s LYS 93 CO 0.60 0.38 0.93 -0.08 0.51 0.00 0.00 175.35 177.69 2bkc s THR 94 N -2.04 3.61 0.27 2.17 -1.32 -1.26 -4.83 115.64 112.25 2bkc s THR 94 Ca 0.26 0.07 -0.00 0.00 -1.21 0.00 0.00 61.69 60.81 2bkc s THR 94 Cb -0.07 -3.45 0.11 0.00 -1.51 0.00 0.00 72.50 67.58 2bkc s THR 94 CO 0.14 -0.48 1.76 -0.03 -2.21 0.00 0.00 174.62 173.80 2bkc h MET 95 N -0.25 0.68 -0.86 7.08 4.05 -2.00 -2.17 114.93 121.47 2bkc h MET 95 Ca -0.45 -0.19 -0.01 0.00 -0.28 0.00 0.00 59.70 58.76 2bkc h MET 95 Cb 1.26 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.94 2bkc h MET 95 CO 0.61 0.74 0.50 -0.44 0.23 0.00 0.00 176.91 178.55 2bkc h ASP 96 N 0.63 1.05 -0.23 1.39 5.19 -1.96 -2.80 116.42 119.69 2bkc h ASP 96 Ca 0.12 -0.08 -0.19 0.00 -0.62 0.00 0.00 57.03 56.25 2bkc h ASP 96 Cb 0.49 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.74 2bkc h ASP 96 CO 0.03 0.83 -0.61 1.56 -3.12 0.00 0.00 179.24 177.92 2bkc h GLN 97 N 1.19 0.83 -0.89 3.56 4.20 -1.79 0.17 115.11 122.38 2bkc h GLN 97 Ca 0.31 -0.58 0.04 0.00 0.06 0.00 0.00 58.65 58.48 2bkc h GLN 97 Cb -0.01 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 2bkc h GLN 97 CO -0.05 1.20 0.58 -0.07 -0.67 0.00 0.00 178.83 179.81 2bkc h LEU 98 N 0.59 0.95 -0.44 1.46 3.38 -1.45 -1.87 115.31 117.94 2bkc h LEU 98 Ca -0.01 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 2bkc h LEU 98 Cb 1.23 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2bkc h LEU 98 CO 0.13 0.65 -0.77 0.24 0.09 0.00 0.00 178.44 178.78 2bkc h MET 99 N 1.11 0.18 -0.98 1.13 2.86 -1.18 -0.26 114.93 117.79 2bkc h MET 99 Ca 0.36 -0.17 0.02 0.00 -2.06 0.00 0.00 59.70 57.85 2bkc h MET 99 Cb 0.03 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 2bkc h MET 99 CO -0.13 0.86 0.65 0.93 1.06 0.00 0.00 176.91 180.28 2bkc h GLU 100 N 0.12 1.27 -0.41 1.72 5.08 -0.72 0.13 114.58 121.76 2bkc h GLU 100 Ca -0.03 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 2bkc h GLU 100 Cb 1.34 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2bkc h GLU 100 CO 0.12 0.84 -0.17 0.22 -1.00 0.00 0.00 179.01 179.01 2bkc h ASP 101 N 1.31 0.86 0.43 1.42 3.58 -0.95 -0.73 116.42 122.34 2bkc h ASP 101 Ca 0.37 -0.39 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2bkc h ASP 101 Cb -0.11 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.68 2bkc h ASP 101 CO -0.09 1.06 -0.41 0.25 -2.88 0.00 0.00 179.24 177.17 2bkc h LEU 102 N 0.66 -1.12 -0.84 2.28 6.46 -0.52 -1.40 115.31 120.83 2bkc h LEU 102 Ca 0.09 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2bkc h LEU 102 Cb 0.72 0.37 -0.04 0.00 -0.73 0.00 0.00 40.66 40.98 2bkc h LEU 102 CO 0.05 -0.57 0.52 0.58 -0.62 0.00 0.00 178.44 178.40 2bkc h VAL 103 N -0.86 1.23 -0.83 1.05 2.07 -0.75 -1.55 116.25 116.62 2bkc h VAL 103 Ca -0.04 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.00 2bkc h VAL 103 Cb 0.75 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2bkc h VAL 103 CO -0.05 0.24 0.55 1.23 0.02 0.00 0.00 177.57 179.55 2bkc h GLY 104 N 1.15 1.17 1.27 2.17 0.00 -1.00 0.12 103.07 107.95 2bkc h GLY 104 Ca 0.30 -0.43 -0.19 0.00 0.00 0.00 0.00 47.33 47.00 2bkc h GLY 104 CO -0.06 0.42 -0.64 -0.84 0.00 0.00 0.00 176.54 175.42 2bkc h THR 105 N 1.12 1.29 -0.28 4.70 2.02 -0.67 -2.62 112.91 118.47 2bkc h THR 105 Ca 0.31 -1.86 -0.05 0.00 0.77 0.00 0.00 66.41 65.58 2bkc h THR 105 Cb -0.12 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 2bkc h THR 105 CO -0.07 0.59 -0.03 -0.07 0.37 0.00 0.00 175.52 176.32 2bkc h LEU 106 N 0.55 0.40 -0.68 2.58 3.38 -0.94 -2.18 115.31 118.42 2bkc h LEU 106 Ca -0.01 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 2bkc h LEU 106 Cb 1.24 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2bkc h LEU 106 CO 0.13 0.49 -0.14 -0.33 0.09 0.00 0.00 178.44 178.68 2bkc h GLU 107 N 0.42 0.88 -0.05 1.13 5.08 -0.89 -0.57 114.58 120.58 2bkc h GLU 107 Ca 0.09 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2bkc h GLU 107 Cb 0.32 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2bkc h GLU 107 CO 0.01 0.96 0.00 1.25 -1.00 0.00 0.00 179.01 180.24 2bkc h LEU 108 N 0.78 0.08 -0.56 1.33 6.46 -1.15 -2.06 115.31 120.19 2bkc h LEU 108 Ca 0.12 -0.28 -0.04 0.00 -0.12 0.00 0.00 57.88 57.56 2bkc h LEU 108 Cb 0.67 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.55 2bkc h LEU 108 CO 0.05 0.34 0.20 -0.07 -0.62 0.00 0.00 178.44 178.34 2bkc h LEU 109 N -0.18 0.80 -0.48 2.25 3.38 -1.36 0.47 115.31 120.17 2bkc h LEU 109 Ca 0.01 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 57.89 2bkc h LEU 109 Cb 0.30 -0.21 -0.10 0.00 0.09 0.00 0.00 40.66 40.74 2bkc h LEU 109 CO 0.00 0.77 -0.16 -0.09 0.09 0.00 0.00 178.44 179.05 2bkc h ARG 110 N 0.78 -0.05 0.00 1.13 2.43 -1.04 0.34 114.38 117.97 2bkc h ARG 110 Ca 0.19 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.20 2bkc h ARG 110 Cb 0.24 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2bkc h ARG 110 CO -0.01 -0.03 -0.77 -0.44 -1.51 0.00 0.00 179.97 177.21 2bkc h ASP 111 N -0.05 0.00 -0.22 -3.80 3.32 -0.87 -2.11 116.42 112.69 2bkc h ASP 111 Ca 0.23 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.12 2bkc h ASP 111 Cb 0.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2bkc h ASP 111 CO -0.52 0.77 -0.44 -0.33 -1.72 0.00 0.00 179.24 176.99 2bkc h GLU 112 N 0.00 0.78 -0.44 3.56 5.08 -0.51 -3.03 114.58 120.02 2bkc h GLU 112 Ca -0.01 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 57.90 2bkc h GLU 112 Cb 1.39 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 2bkc h GLU 112 CO 0.10 1.06 0.17 1.88 -1.00 0.00 0.00 179.01 181.22 2bkc h TYR 113 N 0.62 0.62 -0.82 4.33 -1.99 -0.15 -1.02 116.97 118.56 2bkc h TYR 113 Ca 0.04 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 2bkc h TYR 113 Cb 1.01 -0.19 -0.04 0.00 2.00 0.00 0.00 36.73 39.51 2bkc h TYR 113 CO 0.06 0.49 0.48 0.87 -0.00 0.00 0.00 178.16 180.06 2bkc h LYS 114 N 0.62 1.11 -0.26 4.88 1.79 -1.30 0.47 116.57 123.87 2bkc h LYS 114 Ca 0.15 -0.10 -0.07 0.00 -2.18 0.00 0.00 60.65 58.45 2bkc h LYS 114 Cb 0.13 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 2bkc h LYS 114 CO -0.01 0.78 -0.10 1.96 -1.08 0.00 0.00 179.45 181.00 2bkc h GLN 115 N 1.13 0.53 -0.97 3.15 1.08 -1.27 -1.11 115.11 117.65 2bkc h GLN 115 Ca 0.29 -0.22 0.12 0.00 -1.45 0.00 0.00 58.65 57.39 2bkc h GLN 115 Cb -0.04 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.29 2bkc h GLN 115 CO -0.05 0.77 0.62 0.78 -0.95 0.00 0.00 178.83 179.99 2bkc h GLY 116 N 0.27 1.53 0.97 3.46 0.00 -0.79 0.12 103.07 108.62 2bkc h GLY 116 Ca 0.06 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 2bkc h GLY 116 CO 0.03 0.15 -0.19 -2.22 0.00 0.00 0.00 176.54 174.32 2bkc h ILE 117 N 0.93 1.29 -0.03 2.60 2.04 0.42 -1.01 117.51 123.75 2bkc h ILE 117 Ca 0.48 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 2bkc h ILE 117 Cb 0.52 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2bkc h ILE 117 CO -0.24 0.43 -0.00 -0.33 0.00 0.00 0.00 178.15 178.00 2bkc h GLU 118 N 0.49 0.05 -0.16 2.37 5.08 -0.80 -2.66 114.58 118.95 2bkc h GLU 118 Ca 0.07 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 2bkc h GLU 118 Cb 0.74 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 2bkc h GLU 118 CO 0.05 0.38 -0.38 1.25 -1.00 0.00 0.00 179.01 179.32 2bkc h LEU 119 N -0.28 -1.19 -2.10 1.33 5.85 -0.83 -1.99 115.31 116.09 2bkc h LEU 119 Ca 0.01 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2bkc h LEU 119 Cb 0.36 0.50 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 2bkc h LEU 119 CO 0.00 -0.39 -0.05 0.00 -0.34 0.00 0.00 178.44 177.66 2bkc h THR 120 N -0.44 0.78 -0.18 1.05 1.03 -1.22 -2.20 112.91 111.73 2bkc h THR 120 Ca 0.09 -0.20 -0.07 0.00 -0.01 0.00 0.00 66.41 66.23 2bkc h THR 120 Cb 0.59 1.11 -0.00 0.00 -1.07 0.00 0.00 68.15 68.78 2bkc h THR 120 CO -0.40 0.05 -0.16 -0.78 -0.01 0.00 0.00 175.52 174.22 2bkc h ASP 121 N 0.00 0.45 0.05 0.00 3.58 -1.09 -2.63 116.42 116.77 2bkc h ASP 121 Ca -0.00 -0.47 0.02 0.00 0.42 0.00 0.00 57.03 57.00 2bkc h ASP 121 Cb 0.11 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 40.98 2bkc h ASP 121 CO 0.01 0.83 -0.52 0.11 -2.88 0.00 0.00 179.24 176.78 2bkc h LYS 122 N 0.08 -0.67 0.00 0.28 1.57 -0.79 -2.69 116.57 114.34 2bkc h LYS 122 Ca 0.03 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2bkc h LYS 122 Cb 0.69 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2bkc h LYS 122 CO 0.04 -0.45 0.00 0.39 -0.57 0.00 0.00 179.45 178.86 2bkc n GLU 123 N -5.47 0.01 -0.89 3.15 1.02 -0.90 -4.85 120.64 112.71 2bkc n GLU 123 Ca -0.08 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 2bkc n GLU 123 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 -0.99 0.72 3.54 0.62 0.00 -1.02 -4.97 105.19 103.09 2bkc n GLY 124 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.41 6.65 0.34 1.61 3.68 -1.01 -4.86 116.67 120.66 2bkc s ASP 125 Ca 0.00 -1.91 0.12 0.00 2.13 0.00 0.00 52.55 52.89 2bkc s ASP 125 Cb 0.00 -2.53 0.59 0.00 -1.45 0.00 0.00 42.92 39.53 2bkc s ASP 125 CO 0.00 -1.30 1.75 0.44 0.13 0.00 0.00 175.17 176.19 2bkc h ASP 126 N 8.91 0.00 -0.03 -0.34 3.32 -1.93 -2.84 116.42 123.50 2bkc h ASP 126 Ca 0.26 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 2bkc h ASP 126 Cb 0.97 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.52 2bkc h ASP 126 CO 1.37 0.46 -0.01 0.58 -1.72 0.00 0.00 179.24 179.92 2bkc h VAL 127 N 0.00 1.30 -0.47 -1.35 2.07 -1.96 -2.52 116.25 113.32 2bkc h VAL 127 Ca -0.00 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 2bkc h VAL 127 Cb 0.81 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 2bkc h VAL 127 CO 0.06 0.24 0.03 0.74 0.02 0.00 0.00 177.57 178.66 2bkc h THR 128 N -0.31 1.23 0.51 2.57 2.02 -1.96 -1.62 112.91 115.36 2bkc h THR 128 Ca 0.01 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 2bkc h THR 128 Cb 0.39 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2bkc h THR 128 CO 0.00 0.33 -0.51 -1.13 0.37 0.00 0.00 175.52 174.58 2bkc h ASN 129 N 0.72 -1.41 -0.55 4.18 -0.00 -1.49 -1.05 115.58 115.98 2bkc h ASN 129 Ca 0.15 0.11 0.11 0.00 -0.00 0.00 0.00 56.30 56.67 2bkc h ASN 129 Cb 0.40 0.47 -0.11 0.00 -0.00 0.00 0.00 38.32 39.07 2bkc h ASN 129 CO 0.01 -0.68 -0.19 -0.78 -0.00 0.00 0.00 177.43 175.80 2bkc h ASP 130 N -1.02 -0.68 -0.59 1.15 3.58 -1.32 -1.66 116.42 115.87 2bkc h ASP 130 Ca -0.06 0.18 0.07 0.00 0.42 0.00 0.00 57.03 57.64 2bkc h ASP 130 Cb 0.89 0.40 -0.06 0.00 1.72 0.00 0.00 39.33 42.28 2bkc h ASP 130 CO -0.07 -0.23 0.28 -0.03 -2.88 0.00 0.00 179.24 176.32 2bkc h MET 131 N -0.06 0.50 -0.13 0.28 4.05 -1.09 -1.97 114.93 116.52 2bkc h MET 131 Ca 0.26 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.59 2bkc h MET 131 Cb 0.46 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 2bkc h MET 131 CO -0.59 0.33 -0.18 -0.07 0.23 0.00 0.00 176.91 176.63 2bkc h LEU 132 N 0.52 0.20 -0.32 3.39 4.07 -0.35 -2.39 115.31 120.43 2bkc h LEU 132 Ca 0.28 -0.05 -0.20 0.00 0.08 0.00 0.00 57.88 58.00 2bkc h LEU 132 Cb 0.25 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.94 2bkc h LEU 132 CO -0.22 0.40 -0.71 0.40 -1.08 0.00 0.00 178.44 177.23 2bkc h ILE 133 N 0.20 1.32 -0.69 1.22 2.04 -0.60 -2.70 117.51 118.30 2bkc h ILE 133 Ca 0.04 -1.99 -0.07 0.00 1.00 0.00 0.00 64.86 63.84 2bkc h ILE 133 Cb 0.43 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 2bkc h ILE 133 CO 0.03 0.62 0.16 0.00 0.00 0.00 0.00 178.15 178.96 2bkc h ALA 134 N 0.77 0.91 -0.63 1.87 0.00 -1.03 -0.44 119.26 120.71 2bkc h ALA 134 Ca -0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2bkc h ALA 134 Cb 1.30 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2bkc h ALA 134 CO 0.14 0.64 0.24 0.74 0.00 0.00 0.00 179.25 181.00 2bkc h PHE 135 N 1.04 0.94 -0.05 0.00 0.05 -1.45 -2.84 116.94 114.63 2bkc h PHE 135 Ca 0.22 -0.06 -0.19 0.00 3.82 0.00 0.00 57.97 61.76 2bkc h PHE 135 Cb 0.38 -0.28 -0.01 0.00 2.00 0.00 0.00 35.95 38.04 2bkc h PHE 135 CO 0.03 0.73 -0.77 -0.22 -0.18 0.00 0.00 178.31 177.90 2bkc h LYS 136 N 0.91 0.34 -0.65 1.51 3.64 -1.09 -1.60 116.57 119.63 2bkc h LYS 136 Ca 0.21 -0.30 0.13 0.00 -1.27 0.00 0.00 60.65 59.42 2bkc h LYS 136 Cb 0.20 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 31.97 2bkc h LYS 136 CO -0.02 0.96 -0.10 0.00 -2.27 0.00 0.00 179.45 178.02 2bkc h ALA 137 N 0.95 0.51 0.07 5.00 0.00 -0.98 0.25 119.26 125.05 2bkc h ALA 137 Ca -0.04 0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 2bkc h ALA 137 Cb 1.36 0.44 0.02 0.00 0.00 0.00 0.00 17.79 19.61 2bkc h ALA 137 CO 0.13 -0.42 -0.97 1.03 0.00 0.00 0.00 179.25 179.01 2bkc h SER 138 N 0.04 0.73 -0.47 0.00 0.87 -1.24 -2.90 113.55 110.58 2bkc h SER 138 Ca 0.32 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2bkc h SER 138 Cb 0.52 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2bkc h SER 138 CO -0.63 1.46 0.31 0.40 -0.53 0.00 0.00 176.83 177.84 2bkc h ILE 139 N 0.10 1.13 -0.88 2.23 2.04 -1.10 -1.58 117.51 119.44 2bkc h ILE 139 Ca -0.14 -0.24 0.12 0.00 1.00 0.00 0.00 64.86 65.59 2bkc h ILE 139 Cb 1.68 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 38.13 2bkc h ILE 139 CO 0.19 0.12 0.57 0.44 0.00 0.00 0.00 178.15 179.47 2bkc h ASP 140 N 0.64 0.70 -0.02 1.72 3.32 -0.49 0.43 116.42 122.72 2bkc h ASP 140 Ca 0.17 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2bkc h ASP 140 Cb -0.06 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 2bkc h ASP 140 CO -0.04 0.38 -0.03 0.50 -1.72 0.00 0.00 179.24 178.34 2bkc h LYS 141 N 0.76 0.06 -0.89 3.56 3.64 -1.26 -1.53 116.57 120.90 2bkc h LYS 141 Ca 0.43 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.82 2bkc h LYS 141 Cb 0.58 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 2bkc h LYS 141 CO -0.19 0.56 0.59 0.45 -2.27 0.00 0.00 179.45 178.59 2bkc h HIS 142 N -0.45 1.07 -0.17 1.91 3.86 -0.92 -1.07 115.15 119.38 2bkc h HIS 142 Ca 0.00 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 2bkc h HIS 142 Cb 0.56 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 2bkc h HIS 142 CO 0.11 0.61 -0.00 0.82 0.86 0.00 0.00 177.93 180.32 2bkc h ILE 143 N 1.09 1.25 -0.77 2.45 2.04 -0.82 -0.13 117.51 122.63 2bkc h ILE 143 Ca 0.36 -0.85 0.15 0.00 1.00 0.00 0.00 64.86 65.52 2bkc h ILE 143 Cb 0.06 1.49 -0.14 0.00 -0.74 0.00 0.00 36.82 37.48 2bkc h ILE 143 CO -0.11 0.25 -0.22 -0.25 0.00 0.00 0.00 178.15 177.82 2bkc h TRP 144 N 0.05 -0.49 -0.00 1.37 7.01 -0.91 -1.29 115.95 121.68 2bkc h TRP 144 Ca 0.05 0.07 -0.21 0.00 2.11 0.00 0.00 58.89 60.91 2bkc h TRP 144 Cb 0.38 0.33 0.02 0.00 -2.10 0.00 0.00 29.16 27.79 2bkc h TRP 144 CO 0.03 -0.34 -0.83 0.52 -2.79 0.00 0.00 178.44 175.03 2bkc h MET 145 N -0.02 0.57 0.00 2.65 2.86 -0.64 -0.81 114.93 119.54 2bkc h MET 145 Ca 0.36 -0.61 -0.09 0.00 -2.06 0.00 0.00 59.70 57.30 2bkc h MET 145 Cb 0.57 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 2bkc h MET 145 CO -0.80 1.22 -0.41 0.74 1.06 0.00 0.00 176.91 178.73 2bkc h PHE 146 N 0.17 0.00 0.04 -0.22 -1.00 -0.96 -2.23 116.94 112.74 2bkc h PHE 146 Ca -0.10 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.67 2bkc h PHE 146 Cb 1.51 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.07 2bkc h PHE 146 CO 0.12 0.41 -0.02 0.87 -1.61 0.00 0.00 178.31 178.09 2bkc h LYS 147 N 0.00 -0.05 -1.00 1.51 1.79 -1.06 -2.81 116.57 114.95 2bkc h LYS 147 Ca -0.00 0.00 0.24 0.00 -2.18 0.00 0.00 60.65 58.71 2bkc h LYS 147 Cb 0.92 0.01 -0.12 0.00 -1.58 0.00 0.00 32.23 31.46 2bkc h LYS 147 CO 0.05 0.27 0.59 0.00 -1.08 0.00 0.00 179.45 179.28 2bkc h ALA 148 N 0.58 1.76 -0.25 3.86 0.00 -1.05 0.30 119.26 124.46 2bkc h ALA 148 Ca -0.01 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2bkc h ALA 148 Cb 0.34 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2bkc h ALA 148 CO 0.01 -0.24 -0.08 0.35 0.00 0.00 0.00 179.25 179.29 2bkc h PHE 149 N 0.60 0.41 -0.08 0.00 3.57 -1.21 -2.90 116.94 117.32 2bkc h PHE 149 Ca 0.63 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 62.09 2bkc h PHE 149 Cb 1.17 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.80 2bkc h PHE 149 CO -0.01 0.47 0.00 1.28 -2.23 0.00 0.00 178.31 177.82 2bkc n LEU 150 N -4.27 1.96 0.00 0.59 4.77 0.04 -4.94 117.00 115.15 2bkc n LEU 150 Ca 0.00 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 2bkc n LEU 150 Cb 0.26 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2bkc n LEU 150 CO 0.39 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 2bkc n GLY 151 N 1.22 0.90 3.26 -0.72 0.00 -0.93 -5.06 105.19 103.87 2bkc n GLY 151 Ca 0.17 -0.47 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.42 1.09 0.70 1.61 1.02 -0.85 -5.01 119.74 116.87 2bkc s LYS 152 Ca 0.00 -1.35 -0.11 0.00 0.02 0.00 0.00 55.97 54.53 2bkc s LYS 152 Cb 0.00 -0.89 0.01 0.00 -0.52 0.00 0.00 37.83 36.43 2bkc s LYS 152 CO 0.00 0.16 1.06 0.00 -0.92 0.00 0.00 175.35 175.65 2bkc s ALA 153 N -2.55 2.70 0.07 5.17 0.00 -1.26 -3.34 121.76 122.54 2bkc s ALA 153 Ca 0.13 -0.01 -0.36 0.00 0.00 0.00 0.00 51.96 51.73 2bkc s ALA 153 Cb -0.02 -3.14 -0.19 0.00 0.00 0.00 0.00 23.12 19.76 2bkc s ALA 153 CO 0.03 -1.20 1.54 -1.35 0.00 0.00 0.00 175.76 174.78 2bkc h PRO 154 N -0.70 -1.16 -0.89 0.00 0.11 -1.89 -2.77 132.00 124.70 2bkc h PRO 154 Ca -0.44 0.08 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 2bkc h PRO 154 Cb 1.22 0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.58 2bkc h PRO 154 CO 0.58 -0.77 0.03 1.28 -0.21 0.00 0.00 178.00 178.91 2bkc n LEU 155 N -5.49 2.68 0.00 2.35 4.77 -1.26 -4.84 117.00 115.21 2bkc n LEU 155 Ca -0.15 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.47 2bkc n LEU 155 Cb 0.49 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2bkc n LEU 155 CO 0.35 0.40 0.00 -0.62 -1.33 0.00 0.00 177.39 176.19