#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qnc s LEU 2 N 0.00 3.98 -0.90 4.03 2.96 -1.26 -4.95 118.68 122.53 2qnc s LEU 2 Ca 0.00 0.85 -0.25 0.00 -0.22 0.00 0.00 54.13 54.51 2qnc s LEU 2 Cb 0.00 -3.37 -0.07 0.00 0.50 0.00 0.00 46.19 43.25 2qnc s LEU 2 CO 0.00 -0.82 2.04 -0.76 -1.32 0.00 0.00 176.35 175.49 2qnc s LEU 3 N 3.45 3.08 0.09 -0.68 1.43 -1.26 -4.93 118.68 119.86 2qnc s LEU 3 Ca 0.41 -0.61 0.10 0.00 -1.03 0.00 0.00 54.13 52.99 2qnc s LEU 3 Cb -0.13 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 2qnc s LEU 3 CO 0.16 -3.03 -0.26 0.28 0.23 0.00 0.00 176.35 173.73 2qnc s THR 4 N 11.21 2.11 0.00 5.49 -1.32 -1.26 -4.37 115.64 127.49 2qnc s THR 4 Ca 0.75 -1.56 0.00 0.00 -1.21 0.00 0.00 61.69 59.67 2qnc s THR 4 Cb -0.07 -1.85 0.00 0.00 -1.51 0.00 0.00 72.50 69.07 2qnc s THR 4 CO 0.02 0.18 0.00 0.61 -2.21 0.00 0.00 174.62 173.22 2qnc n GLY 5 N 1.31 3.38 0.45 6.08 0.00 -1.26 -1.76 105.19 113.40 2qnc n GLY 5 Ca -0.18 -0.15 0.26 0.00 0.00 0.00 0.00 46.02 45.95 2qnc n GLY 5 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qnc h LYS 6 N 0.00 0.00 -0.64 1.61 3.64 -2.01 0.10 116.57 119.27 2qnc h LYS 6 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2qnc h LYS 6 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2qnc h LYS 6 CO 0.00 0.00 0.27 -0.07 -2.27 0.00 0.00 179.45 177.38 2qnc h LEU 7 N 0.00 0.84 0.19 5.20 3.38 -1.70 -0.76 115.31 122.46 2qnc h LEU 7 Ca 0.35 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2qnc h LEU 7 Cb 1.69 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2qnc h LEU 7 CO -0.00 0.74 -0.09 0.22 0.09 0.00 0.00 178.44 179.39 2qnc h TYR 8 N 0.91 -0.24 -0.98 1.13 3.20 -0.90 0.32 116.97 120.42 2qnc h TYR 8 Ca 0.22 -0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.33 2qnc h TYR 8 Cb 0.15 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.43 2qnc h TYR 8 CO 0.01 -0.15 0.66 0.87 -1.64 0.00 0.00 178.16 177.92 2qnc h LYS 9 N -0.26 0.28 0.57 1.82 1.57 -1.66 -1.66 116.57 117.23 2qnc h LYS 9 Ca -0.03 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2qnc h LYS 9 Cb 0.19 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.45 2qnc h LYS 9 CO 0.04 0.19 -0.27 0.93 -0.57 0.00 0.00 179.45 179.76 2qnc h GLU 10 N 0.29 -0.74 -0.70 3.15 5.08 -0.81 -2.88 114.58 117.96 2qnc h GLU 10 Ca 0.52 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 59.08 2qnc h GLU 10 Cb 1.51 0.17 -0.11 0.00 0.50 0.00 0.00 28.75 30.82 2qnc h GLU 10 CO -0.17 -0.43 0.14 1.49 -1.00 0.00 0.00 179.01 179.03 2qnc h GLU 11 N -0.95 0.24 -0.79 2.33 4.57 0.61 0.26 114.58 120.84 2qnc h GLU 11 Ca -0.08 -0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.21 2qnc h GLU 11 Cb 0.65 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 29.10 2qnc h GLU 11 CO 0.13 0.16 0.41 0.87 -1.18 0.00 0.00 179.01 179.39 2qnc h LYS 12 N 0.24 0.62 0.44 1.92 1.57 -1.50 0.23 116.57 120.08 2qnc h LYS 12 Ca 0.38 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.11 2qnc h LYS 12 Cb 0.64 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 2qnc h LYS 12 CO -0.50 0.41 -0.24 0.37 -0.57 0.00 0.00 179.45 178.92 2qnc h GLN 13 N 0.64 -0.60 -0.89 3.15 5.75 -0.29 0.31 115.11 123.16 2qnc h GLN 13 Ca 0.41 0.04 0.20 0.00 -0.15 0.00 0.00 58.65 59.15 2qnc h GLN 13 Cb 0.50 0.14 -0.11 0.00 1.07 0.00 0.00 27.48 29.07 2qnc h GLN 13 CO -0.31 -0.40 0.43 0.87 -2.65 0.00 0.00 178.83 176.77 2qnc h LYS 14 N -0.63 0.48 0.23 1.69 1.57 -0.37 -1.95 116.57 117.60 2qnc h LYS 14 Ca -0.05 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2qnc h LYS 14 Cb 0.50 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2qnc h LYS 14 CO 0.07 0.32 -0.11 0.74 -0.57 0.00 0.00 179.45 179.91 2qnc h PHE 15 N 0.50 -0.28 -1.18 -1.35 -1.00 -0.01 -2.92 116.94 110.70 2qnc h PHE 15 Ca 0.53 -0.01 0.43 0.00 2.81 0.00 0.00 57.97 61.74 2qnc h PHE 15 Cb 0.93 0.09 -0.14 0.00 3.61 0.00 0.00 35.95 40.45 2qnc h PHE 15 CO -0.11 0.10 0.73 0.98 -1.61 0.00 0.00 178.31 178.41 2qnc n TYR 16 N -5.03 0.77 -0.07 -0.55 9.36 0.10 -0.94 117.16 120.80 2qnc n TYR 16 Ca -0.09 0.77 -0.10 0.00 3.32 0.00 0.00 57.90 61.81 2qnc n TYR 16 Cb 0.26 -1.19 -0.08 0.00 -0.63 0.00 0.00 39.34 37.69 2qnc n TYR 16 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 2qnc h ASP 17 N 0.00 0.00 -0.31 2.98 3.32 -1.51 0.51 116.42 121.41 2qnc h ASP 17 Ca 0.81 -0.60 0.09 0.00 0.02 0.00 0.00 57.03 57.34 2qnc h ASP 17 Cb 2.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 42.02 2qnc h ASP 17 CO -0.51 0.88 0.52 0.00 -1.72 0.00 0.00 179.24 178.42 2qnc h ALA 18 N -0.40 1.93 0.00 3.45 0.00 -0.83 0.35 119.26 123.76 2qnc h ALA 18 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qnc h ALA 18 Cb 0.70 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2qnc h ALA 18 CO -0.02 -0.68 -1.81 1.04 0.00 0.00 0.00 179.25 177.78 2qnc n GLN 19 N -3.31 0.65 -2.99 0.00 6.02 -0.64 -5.01 117.38 112.10 2qnc n GLN 19 Ca 0.05 -0.14 -0.12 0.00 -0.01 0.00 0.00 57.00 56.79 2qnc n GLN 19 Cb 0.66 -1.58 0.06 0.00 1.02 0.00 0.00 30.24 30.40 2qnc n GLN 19 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2qnc n ASN 20 N -2.34 -2.31 -0.86 1.08 4.13 0.12 -2.62 115.26 112.46 2qnc n ASN 20 Ca -0.03 -0.41 -0.11 0.00 1.68 0.00 0.00 54.58 55.70 2qnc n ASN 20 Cb 0.57 -3.60 -0.05 0.00 -1.54 0.00 0.00 39.78 35.16 2qnc n ASN 20 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qnc n GLY 21 N -1.13 1.14 3.68 7.41 0.00 -0.00 -4.88 105.19 111.41 2qnc n GLY 21 Ca -0.18 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 2qnc n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qnc s LYS 22 N -2.84 4.18 -0.21 1.61 -0.14 -1.08 0.50 119.74 121.76 2qnc s LYS 22 Ca 0.00 0.11 -0.29 0.00 -1.36 0.00 0.00 55.97 54.43 2qnc s LYS 22 Cb 0.00 -3.52 -0.02 0.00 -1.68 0.00 0.00 37.83 32.62 2qnc s LYS 22 CO 0.00 0.03 1.39 0.00 -0.76 0.00 0.00 175.35 176.01 2qnc n LEU 24 N 7.35 0.00 0.01 0.00 4.77 -1.26 -0.16 117.00 127.71 2qnc n LEU 24 Ca 0.15 0.23 -0.00 0.00 -0.03 0.00 0.00 56.01 56.36 2qnc n LEU 24 Cb 0.45 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2qnc n LEU 24 CO 0.61 -0.23 -0.01 -0.38 -1.33 0.00 0.00 177.39 176.05 2qnc n ILE 25 N -1.19 0.27 0.22 -0.08 5.41 -1.26 -4.75 119.36 117.99 2qnc n ILE 25 Ca 0.00 0.11 0.09 0.00 1.00 0.00 0.00 62.75 63.94 2qnc n ILE 25 Cb 0.06 -1.16 0.50 0.00 -0.71 0.00 0.00 39.64 38.32 2qnc n ILE 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qnc n GLN 27 N -3.60 -0.14 -0.63 0.00 6.02 0.77 -4.98 117.38 114.82 2qnc n GLN 27 Ca -0.01 0.04 -0.28 0.00 -0.01 0.00 0.00 57.00 56.73 2qnc n GLN 27 Cb 0.39 -3.39 0.25 0.00 1.02 0.00 0.00 30.24 28.51 2qnc n GLN 27 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2qnc s ARG 28 N -0.47 -1.02 -0.13 -1.09 0.52 -1.26 -4.36 118.95 111.13 2qnc s ARG 28 Ca 0.00 0.68 -0.29 0.00 -0.52 0.00 0.00 55.73 55.60 2qnc s ARG 28 Cb 0.00 -1.55 -0.01 0.00 0.52 0.00 0.00 34.95 33.90 2qnc s ARG 28 CO 0.00 -3.75 1.13 -1.21 0.02 0.00 0.00 175.30 171.49 2qnc s GLU 29 N -4.59 4.33 0.93 3.54 2.02 -1.26 -1.72 118.70 121.95 2qnc s GLU 29 Ca 0.68 1.53 -0.14 0.00 0.02 0.00 0.00 54.97 57.06 2qnc s GLU 29 Cb -0.23 -3.62 -0.01 0.00 0.10 0.00 0.00 34.13 30.37 2qnc s GLU 29 CO 0.63 -0.51 0.16 1.28 0.02 0.00 0.00 175.26 176.85 2qnc n LEU 30 N 5.69 -1.35 -4.76 1.80 4.77 1.84 -4.86 117.00 120.12 2qnc n LEU 30 Ca 0.11 0.33 -0.41 0.00 -0.03 0.00 0.00 56.01 56.01 2qnc n LEU 30 Cb 0.47 -1.11 -0.01 0.00 -2.33 0.00 0.00 43.42 40.43 2qnc n LEU 30 CO 0.54 -4.10 1.17 0.21 -1.33 0.00 0.00 177.39 173.88 2qnc s ASN 31 N -1.75 6.43 0.62 -1.43 3.84 -1.26 -4.86 114.94 116.54 2qnc s ASN 31 Ca 0.54 2.92 0.31 0.00 0.21 0.00 0.00 52.86 56.85 2qnc s ASN 31 Cb -0.22 -2.65 1.74 0.00 -0.55 0.00 0.00 41.25 39.58 2qnc s ASN 31 CO 0.70 -0.84 2.07 -0.65 -2.79 0.00 0.00 177.10 175.58 2qnc h PRO 32 N 4.17 0.00 -5.71 0.43 0.11 -1.97 -3.34 132.00 125.69 2qnc h PRO 32 Ca -0.48 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.01 2qnc h PRO 32 Cb 1.23 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.21 2qnc h PRO 32 CO 0.73 0.00 0.58 0.34 -0.21 0.00 0.00 178.00 179.45 2qnc s ASP 33 N -5.27 6.25 0.12 -2.05 -1.08 -1.26 -4.93 116.67 108.45 2qnc s ASP 33 Ca -0.04 -0.64 -0.30 0.00 -0.52 0.00 0.00 52.55 51.04 2qnc s ASP 33 Cb 0.13 -2.44 -0.08 0.00 -1.46 0.00 0.00 42.92 39.08 2qnc s ASP 33 CO 0.46 -1.36 1.58 0.58 0.52 0.00 0.00 175.17 176.95 2qnc h VAL 34 N 6.00 0.14 0.00 1.11 2.07 -1.98 -1.14 116.25 122.44 2qnc h VAL 34 Ca -0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2qnc h VAL 34 Cb 1.07 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2qnc h VAL 34 CO 1.14 0.00 0.06 1.56 0.02 0.00 0.00 177.57 180.35 2qnc h GLN 35 N -0.56 0.00 -0.73 1.57 1.08 -1.91 -1.73 115.11 112.83 2qnc h GLN 35 Ca 0.05 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 2qnc h GLN 35 Cb 0.65 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.05 2qnc h GLN 35 CO -0.34 0.00 0.27 0.00 -0.95 0.00 0.00 178.83 177.81 2qnc h ALA 36 N 1.88 0.95 -2.80 3.87 0.00 -1.56 -3.44 119.26 118.17 2qnc h ALA 36 Ca 0.00 -0.20 -0.54 0.00 0.00 0.00 0.00 54.91 54.17 2qnc h ALA 36 Cb 0.12 -0.28 0.17 0.00 0.00 0.00 0.00 17.79 17.79 2qnc h ALA 36 CO 0.00 0.60 0.41 -0.80 0.00 0.00 0.00 179.25 179.46 2qnc s ASN 37 N -6.31 4.06 -0.12 0.00 0.01 -0.65 -4.85 114.94 107.07 2qnc s ASN 37 Ca -0.12 2.46 -0.19 0.00 -0.71 0.00 0.00 52.86 54.29 2qnc s ASN 37 Cb 0.15 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 2qnc s ASN 37 CO 0.83 -2.36 0.54 -1.00 -1.51 0.00 0.00 177.10 173.60 2qnc s HIS 38 N -1.84 3.50 -0.59 2.20 3.76 0.07 -4.93 115.29 117.45 2qnc s HIS 38 Ca 0.77 0.95 -0.20 0.00 -0.15 0.00 0.00 55.06 56.43 2qnc s HIS 38 Cb -0.32 -2.64 0.08 0.00 1.11 0.00 0.00 32.58 30.82 2qnc s HIS 38 CO 0.46 0.09 0.76 -1.17 -0.85 0.00 0.00 174.74 174.02 2qnc s LEU 39 N 0.89 5.03 0.53 0.89 2.96 -1.26 -0.32 118.68 127.39 2qnc s LEU 39 Ca 0.28 -1.18 -0.17 0.00 -0.22 0.00 0.00 54.13 52.84 2qnc s LEU 39 Cb -0.16 -2.38 -0.07 0.00 0.50 0.00 0.00 46.19 44.08 2qnc s LEU 39 CO 0.12 -1.15 1.01 -0.62 -1.32 0.00 0.00 176.35 174.39 2qnc s ASP 40 N 3.41 6.40 -0.07 3.68 2.15 -0.85 -4.97 116.67 126.43 2qnc s ASP 40 Ca 0.15 1.67 -0.13 0.00 0.43 0.00 0.00 52.55 54.67 2qnc s ASP 40 Cb -0.21 -2.52 0.03 0.00 -0.30 0.00 0.00 42.92 39.92 2qnc s ASP 40 CO 0.09 -0.74 0.32 -1.38 -0.17 0.00 0.00 175.17 173.29 2qnc s HIS 41 N -2.50 -0.27 0.11 -5.34 -3.43 -1.26 -1.24 115.29 101.35 2qnc s HIS 41 Ca 0.61 0.56 -0.31 0.00 -0.80 0.00 0.00 55.06 55.12 2qnc s HIS 41 Cb -0.12 0.11 -0.09 0.00 -1.43 0.00 0.00 32.58 31.05 2qnc s HIS 41 CO 0.31 -0.29 1.63 0.34 -2.00 0.00 0.00 174.74 174.73 2qnc s ASP 42 N -0.63 6.59 0.00 7.38 -1.08 -0.47 -4.83 116.67 123.62 2qnc s ASP 42 Ca -0.07 2.55 0.06 0.00 -0.52 0.00 0.00 52.55 54.56 2qnc s ASP 42 Cb -0.04 -2.57 0.35 0.00 -1.46 0.00 0.00 42.92 39.20 2qnc s ASP 42 CO 0.02 -0.87 1.09 1.41 0.52 0.00 0.00 175.17 177.34 2qnc n HIS 43 N 5.03 0.00 -1.42 -5.34 8.25 -1.26 -2.90 115.22 117.57 2qnc n HIS 43 Ca 0.15 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.26 2qnc n HIS 43 Cb 0.40 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.60 2qnc n HIS 43 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2qnc n GLU 44 N -0.61 0.65 -0.04 -0.41 4.07 -1.26 -4.85 120.64 118.18 2qnc n GLU 44 Ca 0.04 0.29 -0.06 0.00 -0.06 0.00 0.00 57.16 57.38 2qnc n GLU 44 Cb 0.02 -2.46 -0.04 0.00 -0.06 0.00 0.00 31.44 28.90 2qnc n GLU 44 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2qnc n LEU 45 N -2.47 2.42 -4.62 4.31 4.77 -1.26 -2.69 117.00 117.46 2qnc n LEU 45 Ca 0.15 -0.04 -0.34 0.00 -0.03 0.00 0.00 56.01 55.74 2qnc n LEU 45 Cb 0.49 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 2qnc n LEU 45 CO 0.48 0.56 -0.29 0.20 -1.33 0.00 0.00 177.39 177.01 2qnc s ASN 46 N -4.65 5.35 0.00 -1.43 0.01 -1.26 -4.78 114.94 108.18 2qnc s ASN 46 Ca -0.10 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 2qnc s ASN 46 Cb 0.03 -1.82 0.00 0.00 0.41 0.00 0.00 41.25 39.87 2qnc s ASN 46 CO 0.22 0.22 0.00 0.61 -1.51 0.00 0.00 177.10 176.64 2qnc n GLY 47 N 3.19 0.64 0.06 0.66 0.00 -1.26 -4.50 105.19 103.98 2qnc n GLY 47 Ca -0.17 -2.28 0.13 0.00 0.00 0.00 0.00 46.02 43.69 2qnc n GLY 47 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qnc n PRO 48 N -0.64 0.17 -0.08 1.61 -0.04 -1.26 -3.66 135.00 131.09 2qnc n PRO 48 Ca 0.00 0.11 -0.10 0.00 -0.04 0.00 0.00 63.50 63.47 2qnc n PRO 48 Cb 0.00 -1.66 -0.15 0.00 -0.04 0.00 0.00 33.50 31.64 2qnc n PRO 48 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2qnc n LYS 49 N -1.93 0.68 -1.44 0.54 5.02 -1.26 -4.88 118.16 114.88 2qnc n LYS 49 Ca 0.06 0.06 -0.50 0.00 -2.02 0.00 0.00 58.31 55.91 2qnc n LYS 49 Cb 0.40 -1.58 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 2qnc n LYS 49 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qnc n ALA 50 N -2.72 -2.73 -0.10 7.82 0.00 -1.24 -0.79 120.51 120.75 2qnc n ALA 50 Ca -0.30 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2qnc n ALA 50 Cb 1.13 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2qnc n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qnc n GLY 51 N 1.86 0.00 3.76 0.00 0.00 -1.10 -4.92 105.19 104.80 2qnc n GLY 51 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2qnc n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qnc s LYS 52 N -0.21 4.34 -0.09 1.61 -0.14 0.03 -4.70 119.74 120.59 2qnc s LYS 52 Ca 0.00 2.21 -0.30 0.00 -1.36 0.00 0.00 55.97 56.52 2qnc s LYS 52 Cb 0.00 -3.11 -0.03 0.00 -1.68 0.00 0.00 37.83 33.02 2qnc s LYS 52 CO 0.00 -0.26 1.21 0.08 -0.76 0.00 0.00 175.35 175.62 2qnc s VAL 53 N -0.60 4.29 -1.81 3.17 1.01 -1.26 -1.36 120.40 123.83 2qnc s VAL 53 Ca 0.53 1.59 0.25 0.00 0.00 0.00 0.00 61.98 64.36 2qnc s VAL 53 Cb -0.40 -4.03 0.19 0.00 0.00 0.00 0.00 36.38 32.15 2qnc s VAL 53 CO 0.47 -0.04 1.44 0.54 0.00 0.00 0.00 175.10 177.51 2qnc n ARG 54 N 5.59 0.92 0.00 2.72 1.74 -0.37 -4.95 116.66 122.31 2qnc n ARG 54 Ca 0.12 -0.61 0.00 0.00 -0.77 0.00 0.00 57.85 56.58 2qnc n ARG 54 Cb 0.46 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 2qnc n ARG 54 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qnc n GLY 55 N 1.36 3.23 3.71 -0.13 0.00 -1.24 -4.99 105.19 107.14 2qnc n GLY 55 Ca 0.11 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 2qnc n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qnc s LEU 56 N 0.00 4.27 0.16 0.99 2.96 -1.26 -2.01 118.68 123.79 2qnc s LEU 56 Ca 0.00 1.02 0.07 0.00 -0.22 0.00 0.00 54.13 55.00 2qnc s LEU 56 Cb 0.00 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.70 2qnc s LEU 56 CO 0.00 -0.13 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.00 2qnc s LEU 57 N 1.02 2.48 0.42 -0.68 1.43 0.56 -3.98 118.68 119.93 2qnc s LEU 57 Ca 0.33 -0.92 -0.23 0.00 -1.03 0.00 0.00 54.13 52.27 2qnc s LEU 57 Cb -0.17 -0.60 -0.09 0.00 0.03 0.00 0.00 46.19 45.37 2qnc s LEU 57 CO 0.14 -0.17 1.08 0.00 0.23 0.00 0.00 176.35 177.63 2qnc h ASN 59 N 2.30 0.34 0.42 0.00 -1.07 -1.92 -2.03 115.58 113.61 2qnc h ASN 59 Ca -0.49 0.24 -0.02 0.00 0.07 0.00 0.00 56.30 56.10 2qnc h ASN 59 Cb 1.22 0.24 0.00 0.00 -2.07 0.00 0.00 38.32 37.71 2qnc h ASN 59 CO 0.61 -0.37 -0.20 -0.07 0.07 0.00 0.00 177.43 177.47 2qnc h LEU 60 N 0.05 -0.47 -0.70 6.14 3.38 -1.99 -3.01 115.31 118.71 2qnc h LEU 60 Ca 0.83 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.82 2qnc h LEU 60 Cb 2.22 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 43.02 2qnc h LEU 60 CO -0.71 -0.04 0.36 0.00 0.09 0.00 0.00 178.44 178.14 2qnc h ASP 62 N 0.62 0.19 0.90 0.00 3.58 -1.49 0.71 116.42 120.93 2qnc h ASP 62 Ca 0.34 0.06 -0.09 0.00 0.42 0.00 0.00 57.03 57.76 2qnc h ASP 62 Cb 0.34 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 2qnc h ASP 62 CO -0.25 0.13 -0.43 0.00 -2.88 0.00 0.00 179.24 175.81 2qnc h ALA 63 N 1.33 0.94 -0.35 -0.78 0.00 -1.15 -3.16 119.26 116.09 2qnc h ALA 63 Ca 0.24 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 2qnc h ALA 63 Cb 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2qnc h ALA 63 CO -0.24 0.53 -0.36 0.00 0.00 0.00 0.00 179.25 179.19 2qnc h ALA 64 N 1.57 0.52 -0.22 0.00 0.00 0.13 -2.81 119.26 118.46 2qnc h ALA 64 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2qnc h ALA 64 Cb 0.99 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2qnc h ALA 64 CO 0.06 0.60 0.06 1.49 0.00 0.00 0.00 179.25 181.45 2qnc h GLU 65 N 0.66 0.30 -0.62 0.00 4.22 -0.90 -1.57 114.58 116.66 2qnc h GLU 65 Ca 0.05 -0.04 -0.09 0.00 0.08 0.00 0.00 59.36 59.37 2qnc h GLU 65 Cb 0.95 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2qnc h GLU 65 CO 0.09 0.28 0.04 0.78 -2.18 0.00 0.00 179.01 178.02 2qnc h GLY 66 N 0.48 1.14 0.76 1.92 0.00 -1.50 -1.37 103.07 104.50 2qnc h GLY 66 Ca 0.08 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 2qnc h GLY 66 CO -0.00 0.74 0.01 1.46 0.00 0.00 0.00 176.54 178.74 2qnc h GLN 67 N 0.98 0.07 0.05 4.80 1.08 -1.15 0.33 115.11 121.28 2qnc h GLN 67 Ca 0.18 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.38 2qnc h GLN 67 Cb 0.51 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.88 2qnc h GLN 67 CO 0.02 0.31 -0.51 0.52 -0.95 0.00 0.00 178.83 178.23 2qnc h MET 68 N -0.18 -0.65 0.02 1.46 2.86 -1.24 0.38 114.93 117.58 2qnc h MET 68 Ca 0.01 0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 2qnc h MET 68 Cb 0.28 0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.03 2qnc h MET 68 CO 0.00 -0.43 -0.54 -0.22 1.06 0.00 0.00 176.91 176.78 2qnc h LYS 69 N -0.68 -0.67 -0.74 1.72 3.64 -1.17 -1.97 116.57 116.71 2qnc h LYS 69 Ca 0.00 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.56 2qnc h LYS 69 Cb 0.70 0.15 -0.13 0.00 -0.41 0.00 0.00 32.23 32.54 2qnc h LYS 69 CO -0.31 -0.44 -0.32 1.25 -2.27 0.00 0.00 179.45 177.36 2qnc h HIS 70 N -0.69 -0.87 -0.64 1.91 2.76 0.23 0.96 115.15 118.82 2qnc h HIS 70 Ca 0.01 0.08 0.07 0.00 -2.20 0.00 0.00 60.37 58.33 2qnc h HIS 70 Cb 0.73 0.49 -0.06 0.00 1.55 0.00 0.00 27.41 30.13 2qnc h HIS 70 CO -0.51 -0.38 0.33 0.87 -1.30 0.00 0.00 177.93 176.94 2qnc h LYS 71 N -0.09 0.59 -0.99 5.26 1.79 0.41 -0.30 116.57 123.24 2qnc h LYS 71 Ca 0.29 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.79 2qnc h LYS 71 Cb 0.57 -0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 31.02 2qnc h LYS 71 CO -0.79 0.39 0.65 0.35 -1.08 0.00 0.00 179.45 178.96 2qnc h PHE 72 N 0.61 1.19 1.00 -1.35 3.57 -0.15 1.06 116.94 122.88 2qnc h PHE 72 Ca 0.29 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 2qnc h PHE 72 Cb 0.23 -0.39 0.01 0.00 2.79 0.00 0.00 35.95 38.58 2qnc h PHE 72 CO -0.10 0.64 -0.48 -0.91 -2.23 0.00 0.00 178.31 175.22 2qnc h ASN 73 N 1.18 -1.15 0.16 0.41 2.35 -0.02 -1.17 115.58 117.34 2qnc h ASN 73 Ca 0.42 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.21 2qnc h ASN 73 Cb 0.13 0.30 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2qnc h ASN 73 CO -0.16 -0.82 0.00 -1.14 -1.65 0.00 0.00 177.43 173.66 2qnc n ARG 74 N -5.67 0.08 0.14 0.81 0.63 -0.34 -3.06 116.66 109.26 2qnc n ARG 74 Ca -0.17 0.25 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 2qnc n ARG 74 Cb 0.53 -1.50 0.28 0.00 0.45 0.00 0.00 32.46 32.22 2qnc n ARG 74 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2qnc h SER 75 N 0.00 0.11 0.00 6.15 4.64 0.25 -3.48 113.55 121.22 2qnc h SER 75 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2qnc h SER 75 Cb 0.08 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2qnc h SER 75 CO 0.00 0.51 0.00 0.61 -0.87 0.00 0.00 176.83 177.08 2qnc n GLY 76 N -0.27 2.19 0.00 -0.77 0.00 -1.17 -4.87 105.19 100.29 2qnc n GLY 76 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 2qnc n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qnc n LEU 77 N 0.00 0.00 0.13 0.99 4.77 -1.26 -2.10 117.00 119.53 2qnc n LEU 77 Ca 0.00 0.39 -0.12 0.00 -0.03 0.00 0.00 56.01 56.24 2qnc n LEU 77 Cb 0.00 -0.39 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 2qnc n LEU 77 CO 0.00 -0.32 0.49 0.50 -1.33 0.00 0.00 177.39 176.73 2qnc h LYS 78 N 0.00 -0.35 0.00 3.23 1.63 -1.80 -1.57 116.57 117.71 2qnc h LYS 78 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2qnc h LYS 78 Cb 0.07 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2qnc h LYS 78 CO 0.00 -0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.41 2qnc n GLY 79 N -0.03 -0.26 0.47 5.01 0.00 -0.89 -1.80 105.19 107.68 2qnc n GLY 79 Ca -0.09 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 45.96 2qnc n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qnc n GLN 80 N -1.07 1.58 -2.59 1.61 1.13 -1.07 -4.97 117.38 111.99 2qnc n GLN 80 Ca 0.04 -2.98 -0.17 0.00 -1.94 0.00 0.00 57.00 51.95 2qnc n GLN 80 Cb 0.03 -1.61 -0.00 0.00 0.11 0.00 0.00 30.24 28.77 2qnc n GLN 80 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qnc n GLY 81 N -1.21 -0.50 3.71 1.08 0.00 -0.75 -4.94 105.19 102.58 2qnc n GLY 81 Ca 0.19 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 2qnc n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qnc s VAL 82 N -2.82 5.09 -0.04 1.61 1.01 -0.61 -5.02 120.40 119.62 2qnc s VAL 82 Ca 0.08 1.25 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 2qnc s VAL 82 Cb -0.04 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2qnc s VAL 82 CO 0.09 0.25 1.10 -0.62 0.00 0.00 0.00 175.10 175.92 2qnc s ASP 83 N 0.80 7.18 0.04 3.32 2.15 -1.26 -4.69 116.67 124.20 2qnc s ASP 83 Ca 0.33 1.73 -0.11 0.00 0.43 0.00 0.00 52.55 54.92 2qnc s ASP 83 Cb -0.17 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 39.84 2qnc s ASP 83 CO 0.14 -0.46 1.18 0.22 -0.17 0.00 0.00 175.17 176.09 2qnc h TYR 84 N 7.12 -0.52 -0.91 -5.34 3.20 -1.96 1.08 116.97 119.63 2qnc h TYR 84 Ca -0.36 0.02 0.16 0.00 3.14 0.00 0.00 58.73 61.69 2qnc h TYR 84 Cb 1.18 0.23 -0.10 0.00 1.54 0.00 0.00 36.73 39.58 2qnc h TYR 84 CO 0.71 -0.19 0.51 -0.07 -1.64 0.00 0.00 178.16 177.47 2qnc h LEU 85 N -0.23 0.64 0.03 2.82 3.38 -1.98 0.86 115.31 120.84 2qnc h LEU 85 Ca 0.00 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2qnc h LEU 85 Cb 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2qnc h LEU 85 CO -0.11 0.27 -0.02 -0.33 0.09 0.00 0.00 178.44 178.34 2qnc h GLU 86 N 0.70 -0.04 -0.18 1.13 4.39 -1.80 -1.86 114.58 116.92 2qnc h GLU 86 Ca 0.50 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.19 2qnc h GLU 86 Cb 0.70 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 2qnc h GLU 86 CO -0.36 0.20 0.07 2.35 -1.16 0.00 0.00 179.01 180.11 2qnc h TRP 87 N -0.28 0.27 -0.66 4.33 7.01 0.21 -2.23 115.95 124.61 2qnc h TRP 87 Ca -0.00 -0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.11 2qnc h TRP 87 Cb 0.26 -0.08 -0.10 0.00 -2.10 0.00 0.00 29.16 27.14 2qnc h TRP 87 CO 0.01 0.33 0.14 1.25 -2.79 0.00 0.00 178.44 177.38 2qnc h LEU 88 N 0.14 -0.00 -0.42 0.65 5.85 0.70 0.25 115.31 122.48 2qnc h LEU 88 Ca 0.06 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.97 2qnc h LEU 88 Cb 0.17 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 2qnc h LEU 88 CO -0.01 -0.01 0.08 -0.08 -0.34 0.00 0.00 178.44 178.08 2qnc h GLU 89 N 0.26 0.20 -0.92 1.25 4.81 -0.84 -0.62 114.58 118.72 2qnc h GLU 89 Ca 0.35 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 2qnc h GLU 89 Cb 0.56 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 2qnc h GLU 89 CO -0.45 0.13 0.53 -0.91 -0.73 0.00 0.00 179.01 177.58 2qnc h ASN 90 N 0.20 1.12 0.48 1.04 2.35 -0.61 -2.54 115.58 117.64 2qnc h ASN 90 Ca 0.21 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2qnc h ASN 90 Cb 0.26 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 2qnc h ASN 90 CO -0.28 0.88 -0.28 0.25 -1.65 0.00 0.00 177.43 176.35 2qnc h LEU 91 N 1.27 -0.69 -1.02 1.61 5.85 0.43 -0.33 115.31 122.45 2qnc h LEU 91 Ca 0.33 0.04 0.23 0.00 0.84 0.00 0.00 57.88 59.31 2qnc h LEU 91 Cb -0.02 0.20 -0.12 0.00 0.37 0.00 0.00 40.66 41.09 2qnc h LEU 91 CO -0.06 -0.45 0.60 0.25 -0.34 0.00 0.00 178.44 178.45 2qnc h LEU 92 N -0.72 0.70 -0.15 2.25 5.85 -1.09 0.25 115.31 122.42 2qnc h LEU 92 Ca -0.06 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2qnc h LEU 92 Cb 0.58 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2qnc h LEU 92 CO 0.07 0.16 0.04 0.74 -0.34 0.00 0.00 178.44 179.11 2qnc h THR 93 N 0.63 1.18 -0.34 1.05 2.02 -1.02 -0.10 112.91 116.33 2qnc h THR 93 Ca 0.62 -0.57 0.06 0.00 0.77 0.00 0.00 66.41 67.30 2qnc h THR 93 Cb 1.13 1.29 -0.06 0.00 -1.74 0.00 0.00 68.15 68.77 2qnc h THR 93 CO -0.44 0.17 -0.03 0.22 0.37 0.00 0.00 175.52 175.81 2qnc h TYR 94 N 0.05 -0.08 -0.38 3.16 3.20 0.11 -0.66 116.97 122.38 2qnc h TYR 94 Ca 0.05 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.81 2qnc h TYR 94 Cb 0.23 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2qnc h TYR 94 CO 0.00 -0.10 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.07 2qnc h LEU 95 N 0.06 0.90 -1.52 2.82 3.38 -0.61 -2.88 115.31 117.46 2qnc h LEU 95 Ca 0.17 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 2qnc h LEU 95 Cb 0.24 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2qnc h LEU 95 CO -0.31 1.15 -0.09 0.11 0.09 0.00 0.00 178.44 179.39 2qnc h LYS 96 N 0.66 0.00 -6.56 1.13 1.57 -0.69 -3.45 116.57 109.23 2qnc h LYS 96 Ca 0.07 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.31 2qnc h LYS 96 Cb 0.86 0.00 0.22 0.00 0.08 0.00 0.00 32.23 33.38 2qnc h LYS 96 CO 0.07 0.09 -0.87 -1.13 -0.57 0.00 0.00 179.45 177.04 2qnc n SER 97 N -3.26 -2.93 -4.49 0.86 3.41 -0.28 -4.91 113.62 102.02 2qnc n SER 97 Ca -0.00 0.34 -0.43 0.00 -0.26 0.00 0.00 58.87 58.52 2qnc n SER 97 Cb 0.32 -1.09 -0.09 0.00 -0.26 0.00 0.00 64.21 63.09 2qnc n SER 97 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2qnc s ASP 98 N -1.66 6.20 0.00 4.04 -1.08 -1.26 -4.86 116.67 118.04 2qnc s ASP 98 Ca 0.54 -0.65 0.00 0.00 -0.52 0.00 0.00 52.55 51.92 2qnc s ASP 98 Cb -0.23 -2.23 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 2qnc s ASP 98 CO 0.70 -0.58 0.69 0.00 0.52 0.00 0.00 175.17 176.50 2qnc n TYR 99 N 5.61 0.00 -0.34 -5.34 4.11 -1.26 -4.81 117.16 115.13 2qnc n TYR 99 Ca -0.07 -0.24 0.26 0.00 -0.00 0.00 0.00 57.90 57.85 2qnc n TYR 99 Cb 0.47 -0.02 0.54 0.00 -0.00 0.00 0.00 39.34 40.34 2qnc n TYR 99 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.86 178.65 2qnc h THR 100 N 0.93 0.45 -0.29 -3.48 1.35 -1.99 0.10 112.91 109.98 2qnc h THR 100 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2qnc h THR 100 Cb 0.56 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.08 2qnc h THR 100 CO 0.00 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.33 2qnc n GLN 101 N -4.62 2.81 -0.97 4.72 1.13 -1.26 -4.92 117.38 114.26 2qnc n GLN 101 Ca 0.27 -1.53 -0.07 0.00 -1.94 0.00 0.00 57.00 53.73 2qnc n GLN 101 Cb 0.99 -1.81 0.04 0.00 0.11 0.00 0.00 30.24 29.57 2qnc n GLN 101 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2qnc n ASN 102 N 0.34 0.27 -2.52 1.08 3.02 0.35 -5.08 115.26 112.72 2qnc n ASN 102 Ca 0.14 -1.27 -0.04 0.00 -0.03 0.00 0.00 54.58 53.38 2qnc n ASN 102 Cb 0.67 -0.23 0.03 0.00 -0.61 0.00 0.00 39.78 39.64 2qnc n ASN 102 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qnc n ASN 103 N -3.07 -0.81 -4.25 6.41 3.02 -1.26 -5.06 115.26 110.25 2qnc n ASN 103 Ca 0.05 -0.72 -0.32 0.00 -0.03 0.00 0.00 54.58 53.56 2qnc n ASN 103 Cb 0.17 -0.12 -0.17 0.00 -0.61 0.00 0.00 39.78 39.05 2qnc n ASN 103 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qnc s ILE 104 N -1.28 2.13 0.48 2.41 -1.09 -1.26 -5.10 121.20 117.49 2qnc s ILE 104 Ca 0.09 -1.01 -0.21 0.00 -2.23 0.00 0.00 60.65 57.29 2qnc s ILE 104 Cb -0.01 -1.80 -0.08 0.00 -1.58 0.00 0.00 42.46 39.00 2qnc s ILE 104 CO 0.07 0.56 1.08 -2.28 -1.23 0.00 0.00 174.94 173.14 2qnc s HIS 105 N 0.15 2.95 0.48 3.97 5.65 -1.26 -4.93 115.29 122.30 2qnc s HIS 105 Ca -0.13 1.57 0.15 0.00 0.25 0.00 0.00 55.06 56.91 2qnc s HIS 105 Cb -0.16 -3.17 1.16 0.00 -1.18 0.00 0.00 32.58 29.23 2qnc s HIS 105 CO 0.07 -1.06 2.08 -1.35 -0.65 0.00 0.00 174.74 173.83 2qnc h PRO 106 N 1.68 0.18 -0.01 2.88 0.11 -2.04 -2.81 132.00 131.99 2qnc h PRO 106 Ca -0.49 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 2qnc h PRO 106 Cb 1.23 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2qnc h PRO 106 CO 0.59 0.12 -0.38 -0.91 -0.21 0.00 0.00 178.00 177.21 2qnc h ASN 107 N 0.18 0.02 -1.11 -2.05 2.35 -2.02 -3.09 115.58 109.86 2qnc h ASN 107 Ca 0.11 -0.01 0.31 0.00 -0.55 0.00 0.00 56.30 56.17 2qnc h ASN 107 Cb 0.22 -0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.49 2qnc h ASN 107 CO -0.02 0.39 0.72 0.15 -1.65 0.00 0.00 177.43 177.02 2qnc h PHE 108 N 0.01 0.58 0.34 1.19 3.57 -1.88 -0.52 116.94 120.23 2qnc h PHE 108 Ca -0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2qnc h PHE 108 Cb 0.67 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 2qnc h PHE 108 CO 0.00 -0.00 -0.21 0.28 -2.23 0.00 0.00 178.31 176.15 2qnc h VAL 109 N 0.30 0.00 -0.72 1.41 2.07 -1.76 -0.17 116.25 117.38 2qnc h VAL 109 Ca 0.64 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.22 2qnc h VAL 109 Cb 1.79 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 2qnc h VAL 109 CO -0.30 0.00 0.47 1.23 0.02 0.00 0.00 177.57 178.99 2qnc h GLY 110 N -0.52 0.96 1.71 2.17 0.00 -1.45 -2.45 103.07 103.49 2qnc h GLY 110 Ca -0.05 -0.31 -0.17 0.00 0.00 0.00 0.00 47.33 46.80 2qnc h GLY 110 CO 0.05 0.24 -0.72 -0.55 0.00 0.00 0.00 176.54 175.56 2qnc h ASP 111 N 0.78 0.34 0.50 0.19 3.32 -1.05 0.31 116.42 120.80 2qnc h ASP 111 Ca 0.31 -0.22 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 2qnc h ASP 111 Cb 0.22 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2qnc h ASP 111 CO -0.10 0.95 -0.56 0.50 -1.72 0.00 0.00 179.24 178.31 2qnc h LYS 112 N 0.19 0.06 -0.06 3.56 1.63 -0.79 -2.71 116.57 118.46 2qnc h LYS 112 Ca -0.02 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 2qnc h LYS 112 Cb 1.28 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2qnc h LYS 112 CO 0.12 0.61 -0.08 0.77 -3.45 0.00 0.00 179.45 177.41 2qnc h SER 113 N 0.05 0.18 -1.00 4.20 0.02 -1.09 -1.70 113.55 114.20 2qnc h SER 113 Ca -0.00 -0.53 0.24 0.00 -0.84 0.00 0.00 61.79 60.66 2qnc h SER 113 Cb 1.01 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 63.41 2qnc h SER 113 CO 0.08 0.67 0.65 0.50 -1.14 0.00 0.00 176.83 177.58 2qnc h LYS 114 N -0.31 0.40 0.00 3.45 1.63 -0.34 0.76 116.57 122.16 2qnc h LYS 114 Ca 0.01 -0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.63 2qnc h LYS 114 Cb 0.63 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 2qnc h LYS 114 CO 0.02 0.27 -0.71 1.49 -3.45 0.00 0.00 179.45 177.07 2qnc h GLU 115 N 0.42 0.00 -0.19 1.90 4.81 -1.26 -3.22 114.58 117.04 2qnc h GLU 115 Ca 0.55 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.72 2qnc h GLU 115 Cb 1.38 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 2qnc h GLU 115 CO -0.26 0.71 -0.11 0.35 -0.73 0.00 0.00 179.01 178.97 2qnc h PHE 116 N 0.00 0.48 -0.26 0.92 3.57 0.14 -3.05 116.94 118.75 2qnc h PHE 116 Ca -0.01 -0.12 0.07 0.00 3.53 0.00 0.00 57.97 61.44 2qnc h PHE 116 Cb 1.28 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 2qnc h PHE 116 CO 0.00 0.72 0.27 0.66 -2.23 0.00 0.00 178.31 177.73 2qnc h SER 117 N 0.10 0.00 -0.15 0.41 4.64 -0.91 -1.06 113.55 116.58 2qnc h SER 117 Ca 0.04 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2qnc h SER 117 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 2qnc h SER 117 CO 0.03 0.00 0.02 0.54 -0.87 0.00 0.00 176.83 176.56 2qnc n ARG 118 N -3.82 1.84 -4.28 4.77 5.12 -1.15 -4.85 116.66 114.29 2qnc n ARG 118 Ca 0.03 -0.75 -0.24 0.00 -1.93 0.00 0.00 57.85 54.96 2qnc n ARG 118 Cb 0.41 -1.62 -0.08 0.00 -1.16 0.00 0.00 32.46 30.01 2qnc n ARG 118 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2qnc s LEU 119 N -0.68 3.17 0.47 0.55 1.43 -0.41 -5.11 118.68 118.10 2qnc s LEU 119 Ca 0.13 -0.58 -0.21 0.00 -1.03 0.00 0.00 54.13 52.43 2qnc s LEU 119 Cb 0.10 -1.75 -0.08 0.00 0.03 0.00 0.00 46.19 44.49 2qnc s LEU 119 CO 0.04 0.04 1.08 -0.83 0.23 0.00 0.00 176.35 176.91 2qnc s GLY 120 N -3.35 2.64 0.21 -3.19 0.00 -1.26 -4.78 107.32 97.59 2qnc s GLY 120 Ca 0.29 0.73 -0.17 0.00 0.00 0.00 0.00 44.72 45.57 2qnc s GLY 120 CO 0.19 1.11 1.59 1.70 0.00 0.00 0.00 173.10 177.69 2qnc h LYS 121 N 1.81 -0.09 -0.07 2.90 3.64 -1.97 0.48 116.57 123.27 2qnc h LYS 121 Ca -0.49 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 58.93 2qnc h LYS 121 Cb 1.23 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 33.01 2qnc h LYS 121 CO 0.60 -0.06 -0.43 0.93 -2.27 0.00 0.00 179.45 178.22 2qnc h GLU 122 N -0.09 -0.52 -0.74 1.90 4.39 -2.01 -1.79 114.58 115.73 2qnc h GLU 122 Ca 0.29 0.04 0.06 0.00 0.34 0.00 0.00 59.36 60.09 2qnc h GLU 122 Cb 0.55 0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.27 2qnc h GLU 122 CO -0.74 -0.35 0.43 0.93 -1.16 0.00 0.00 179.01 178.12 2qnc h GLU 123 N -0.54 0.76 -0.94 2.33 5.08 -1.46 -0.50 114.58 119.30 2qnc h GLU 123 Ca 0.06 -0.05 0.18 0.00 -1.00 0.00 0.00 59.36 58.55 2qnc h GLU 123 Cb 0.65 -0.17 -0.08 0.00 0.50 0.00 0.00 28.75 29.64 2qnc h GLU 123 CO -0.36 0.50 0.60 0.52 -1.00 0.00 0.00 179.01 179.27 2qnc h MET 124 N 0.78 0.62 0.46 2.33 2.86 0.63 -1.93 114.93 120.68 2qnc h MET 124 Ca 0.33 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.91 2qnc h MET 124 Cb 0.19 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2qnc h MET 124 CO -0.18 0.41 -0.22 0.52 1.06 0.00 0.00 176.91 178.50 2qnc h MET 125 N 0.64 -0.59 -0.47 1.72 2.86 -0.29 -2.93 114.93 115.87 2qnc h MET 125 Ca 0.50 0.04 0.09 0.00 -2.06 0.00 0.00 59.70 58.28 2qnc h MET 125 Cb 0.93 0.13 -0.08 0.00 0.06 0.00 0.00 31.60 32.63 2qnc h MET 125 CO -0.26 -0.31 -0.07 0.00 1.06 0.00 0.00 176.91 177.33 2qnc h ALA 126 N -0.33 0.36 0.12 6.32 0.00 -1.03 -0.79 119.26 123.92 2qnc h ALA 126 Ca -0.06 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2qnc h ALA 126 Cb 0.55 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2qnc h ALA 126 CO 0.10 -0.43 -0.21 0.93 0.00 0.00 0.00 179.25 179.64 2qnc h GLU 127 N 0.04 -0.39 -0.93 0.00 4.39 -1.52 0.10 114.58 116.26 2qnc h GLU 127 Ca 0.23 0.03 0.22 0.00 0.34 0.00 0.00 59.36 60.18 2qnc h GLU 127 Cb 0.35 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.02 2qnc h GLU 127 CO -0.45 -0.26 0.62 0.52 -1.16 0.00 0.00 179.01 178.28 2qnc h MET 128 N -0.41 0.36 0.81 2.33 2.86 -1.13 0.34 114.93 120.09 2qnc h MET 128 Ca 0.02 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 2qnc h MET 128 Cb 0.42 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2qnc h MET 128 CO -0.11 0.24 -0.46 -0.07 1.06 0.00 0.00 176.91 177.57 2qnc h LEU 129 N 0.38 -1.15 -1.36 1.22 3.38 0.38 1.67 115.31 119.83 2qnc h LEU 129 Ca 0.49 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.54 2qnc h LEU 129 Cb 1.27 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 42.31 2qnc h LEU 129 CO -0.18 -0.73 0.44 1.56 0.09 0.00 0.00 178.44 179.62 2qnc h GLN 130 N -1.18 0.83 -0.00 1.13 4.20 0.07 0.41 115.11 120.57 2qnc h GLN 130 Ca -0.11 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2qnc h GLN 130 Cb 0.93 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2qnc h GLN 130 CO 0.13 0.55 -0.04 0.54 -0.67 0.00 0.00 178.83 179.34 2qnc n ARG 131 N -4.45 0.81 -3.78 1.46 1.74 0.10 -4.92 116.66 107.62 2qnc n ARG 131 Ca 0.08 -0.18 -0.26 0.00 -0.77 0.00 0.00 57.85 56.72 2qnc n ARG 131 Cb 0.08 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.07 2qnc n ARG 131 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qnc n GLY 132 N 1.19 -0.44 3.76 -0.13 0.00 0.31 -4.96 105.19 104.92 2qnc n GLY 132 Ca 0.18 0.18 -0.38 0.00 0.00 0.00 0.00 46.02 46.00 2qnc n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qnc s PHE 133 N -3.40 3.60 0.16 1.61 0.08 0.49 -4.98 117.98 115.53 2qnc s PHE 133 Ca 0.45 0.93 -0.30 0.00 0.12 0.00 0.00 56.93 58.12 2qnc s PHE 133 Cb -0.22 -2.45 -0.07 0.00 -0.57 0.00 0.00 43.02 39.71 2qnc s PHE 133 CO 0.80 0.35 1.12 -1.21 -0.10 0.00 0.00 175.22 176.19 2qnc s GLU 134 N -0.05 4.56 0.04 0.44 0.41 -1.26 -4.65 118.70 118.20 2qnc s GLU 134 Ca 0.25 1.74 -0.01 0.00 -0.41 0.00 0.00 54.97 56.53 2qnc s GLU 134 Cb -0.16 -3.29 0.00 0.00 -1.78 0.00 0.00 34.13 28.91 2qnc s GLU 134 CO 0.11 0.01 0.07 2.48 -0.49 0.00 0.00 175.26 177.45 2qnc n TYR 135 N 2.60 -0.97 -4.31 1.61 4.11 -1.26 -4.99 117.16 113.95 2qnc n TYR 135 Ca 0.04 -0.21 -0.22 0.00 -0.00 0.00 0.00 57.90 57.52 2qnc n TYR 135 Cb 0.46 0.08 -0.13 0.00 -0.00 0.00 0.00 39.34 39.76 2qnc n TYR 135 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 2qnc s ASN 136 N -1.22 2.06 0.36 9.48 3.84 -1.26 -5.06 114.94 123.15 2qnc s ASN 136 Ca 0.02 -0.59 0.07 0.00 0.21 0.00 0.00 52.86 52.57 2qnc s ASN 136 Cb -0.00 -0.11 0.68 0.00 -0.55 0.00 0.00 41.25 41.27 2qnc s ASN 136 CO 0.01 0.02 1.88 -0.08 -2.79 0.00 0.00 177.10 176.14 2qnc h GLU 137 N 4.44 0.34 -0.84 0.43 4.57 -2.05 -3.18 114.58 118.29 2qnc h GLU 137 Ca -0.42 -0.08 -0.11 0.00 -1.18 0.00 0.00 59.36 57.57 2qnc h GLU 137 Cb 1.18 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.66 2qnc h GLU 137 CO 0.41 0.47 0.14 -1.13 -1.18 0.00 0.00 179.01 177.71 2qnc n SER 138 N -4.25 3.69 -4.84 1.04 3.41 -1.26 -4.96 113.62 106.46 2qnc n SER 138 Ca -0.00 -2.69 -0.36 0.00 -0.26 0.00 0.00 58.87 55.56 2qnc n SER 138 Cb 0.28 -0.64 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 2qnc n SER 138 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2qnc s ASP 139 N -0.42 6.86 0.38 4.04 1.01 -1.20 -5.07 116.67 122.26 2qnc s ASP 139 Ca 0.33 1.11 -0.19 0.00 0.71 0.00 0.00 52.55 54.51 2qnc s ASP 139 Cb 0.26 -2.30 -0.10 0.00 1.01 0.00 0.00 42.92 41.79 2qnc s ASP 139 CO 0.08 0.13 0.86 0.28 0.21 0.00 0.00 175.17 176.73 2qnc s THR 140 N -1.40 4.51 0.30 -1.27 -1.32 -1.26 -4.87 115.64 110.32 2qnc s THR 140 Ca 0.36 1.27 0.05 0.00 -1.21 0.00 0.00 61.69 62.16 2qnc s THR 140 Cb -0.16 -3.62 0.31 0.00 -1.51 0.00 0.00 72.50 67.52 2qnc s THR 140 CO 0.19 -0.24 1.66 0.11 -2.21 0.00 0.00 174.62 174.13 2qnc h LYS 141 N 2.12 0.27 -0.97 7.08 1.57 -1.98 0.35 116.57 125.02 2qnc h LYS 141 Ca -0.48 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.34 2qnc h LYS 141 Cb 1.18 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.36 2qnc h LYS 141 CO 0.63 0.18 0.63 1.15 -0.57 0.00 0.00 179.45 181.47 2qnc h THR 142 N 0.28 1.08 -0.10 -0.16 2.02 -2.00 0.26 112.91 114.29 2qnc h THR 142 Ca 0.59 -0.39 -0.13 0.00 0.77 0.00 0.00 66.41 67.25 2qnc h THR 142 Cb 1.20 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2qnc h THR 142 CO -0.61 0.21 -0.50 1.56 0.37 0.00 0.00 175.52 176.54 2qnc h GLN 143 N 1.13 0.27 -0.22 6.66 4.20 -0.77 -2.68 115.11 123.70 2qnc h GLN 143 Ca 0.42 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 2qnc h GLN 143 Cb 0.17 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2qnc h GLN 143 CO -0.16 0.71 0.04 -0.07 -0.67 0.00 0.00 178.83 178.69 2qnc h LEU 144 N 0.22 0.34 0.11 1.46 3.38 0.13 -1.54 115.31 119.40 2qnc h LEU 144 Ca 0.01 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.75 2qnc h LEU 144 Cb 0.96 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 2qnc h LEU 144 CO 0.08 0.50 -0.41 0.40 0.09 0.00 0.00 178.44 179.10 2qnc h ILE 145 N 0.17 0.18 -0.54 1.22 2.04 -0.58 -0.07 117.51 119.92 2qnc h ILE 145 Ca 0.07 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.00 2qnc h ILE 145 Cb 0.30 0.18 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 2qnc h ILE 145 CO 0.00 0.00 0.22 0.00 0.00 0.00 0.00 178.15 178.37 2qnc h ALA 146 N -0.12 0.68 0.33 1.87 0.00 -1.44 -0.28 119.26 120.30 2qnc h ALA 146 Ca 0.03 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2qnc h ALA 146 Cb 0.67 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2qnc h ALA 146 CO -0.25 -0.17 -0.16 1.03 0.00 0.00 0.00 179.25 179.71 2qnc h SER 147 N 0.42 -0.38 -0.75 0.00 0.87 -1.03 -1.62 113.55 111.06 2qnc h SER 147 Ca 0.26 -0.04 0.13 0.00 -1.23 0.00 0.00 61.79 60.90 2qnc h SER 147 Cb 0.25 0.10 -0.09 0.00 -0.44 0.00 0.00 62.40 62.22 2qnc h SER 147 CO -0.23 -0.20 0.33 0.15 -0.53 0.00 0.00 176.83 176.35 2qnc h PHE 148 N -0.54 0.58 0.22 2.24 3.04 -0.70 0.20 116.94 121.99 2qnc h PHE 148 Ca -0.05 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 2qnc h PHE 148 Cb 0.40 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 2qnc h PHE 148 CO -0.03 0.12 -0.23 -0.22 -2.02 0.00 0.00 178.31 175.93 2qnc h LYS 149 N 0.51 -0.43 -0.57 1.11 3.64 -0.84 0.22 116.57 120.21 2qnc h LYS 149 Ca 0.40 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.93 2qnc h LYS 149 Cb 0.56 0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.37 2qnc h LYS 149 CO -0.36 -0.29 -0.20 0.87 -2.27 0.00 0.00 179.45 177.20 2qnc h LYS 150 N -0.45 -0.06 0.11 1.90 1.57 -0.72 -1.54 116.57 117.39 2qnc h LYS 150 Ca -0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2qnc h LYS 150 Cb 0.39 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2qnc h LYS 150 CO -0.03 -0.04 -0.05 1.96 -0.57 0.00 0.00 179.45 180.72 2qnc h GLN 151 N -0.06 -0.15 -0.79 3.15 4.20 -0.83 -1.89 115.11 118.74 2qnc h GLN 151 Ca 0.27 0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.12 2qnc h GLN 151 Cb 0.47 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.20 2qnc h GLN 151 CO -0.62 0.04 0.38 1.25 -0.67 0.00 0.00 178.83 179.21 2qnc h LEU 152 N -0.31 0.45 0.00 1.46 5.85 -0.00 -0.62 115.31 122.14 2qnc h LEU 152 Ca -0.02 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2qnc h LEU 152 Cb 0.25 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2qnc h LEU 152 CO 0.03 0.21 -0.00 0.08 -0.34 0.00 0.00 178.44 178.41 2qnc h ARG 153 N 0.58 -0.00 -1.03 1.25 0.11 -1.16 0.59 114.38 114.72 2qnc h ARG 153 Ca 0.42 0.00 0.27 0.00 0.10 0.00 0.00 59.98 60.77 2qnc h ARG 153 Cb 0.57 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 31.54 2qnc h ARG 153 CO -0.35 0.32 0.64 -0.22 0.10 0.00 0.00 179.97 180.46 2qnc h LYS 154 N -0.32 0.45 0.00 0.08 3.64 -0.73 0.36 116.57 120.06 2qnc h LYS 154 Ca -0.00 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 2qnc h LYS 154 Cb 0.32 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2qnc h LYS 154 CO 0.00 0.30 -0.75 0.66 -2.27 0.00 0.00 179.45 177.39 2qnc h SER 155 N 0.46 0.00 1.06 4.20 4.64 -0.51 -3.06 113.55 120.35 2qnc h SER 155 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 2qnc h SER 155 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 2qnc h SER 155 CO -0.39 0.75 -0.21 0.18 -0.87 0.00 0.00 176.83 176.28 2qnc n LEU 156 N -3.44 0.50 0.00 5.97 4.77 0.10 -5.09 117.00 119.81 2qnc n LEU 156 Ca 0.00 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 2qnc n LEU 156 Cb 0.78 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2qnc n LEU 156 CO 0.43 -0.05 0.21 1.17 -1.33 0.00 0.00 177.39 177.82