#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqe s VAL 17 N 0.00 5.30 0.00 1.39 1.01 0.19 -4.08 120.40 124.20 3kqe s VAL 17 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.37 3kqe s VAL 17 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3kqe s VAL 17 CO 0.00 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.02 3kqe n GLY 18 N 4.13 -0.14 7.00 4.51 0.00 -1.26 -1.84 105.19 117.59 3kqe n GLY 18 Ca -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3kqe n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqe n GLY 19 N 0.00 -0.51 3.14 -0.02 0.00 -1.26 -4.91 105.19 101.62 3kqe n GLY 19 Ca 0.00 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 3kqe n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kqe s GLN 20 N 0.00 0.74 0.48 1.61 -1.52 -0.26 -4.98 119.66 115.73 3kqe s GLN 20 Ca 0.00 -1.18 -0.23 0.00 -1.95 0.00 0.00 55.36 52.01 3kqe s GLN 20 Cb 0.00 -0.21 -0.07 0.00 -0.22 0.00 0.00 33.01 32.52 3kqe s GLN 20 CO 0.00 -0.00 1.23 -2.00 -0.25 0.00 0.00 175.29 174.26 3kqe s GLU 21 N -3.24 3.59 -0.19 2.91 2.12 -1.26 0.06 118.70 122.70 3kqe s GLU 21 Ca 0.06 1.92 -0.29 0.00 0.36 0.00 0.00 54.97 57.02 3kqe s GLU 21 Cb 0.01 -2.38 -0.01 0.00 0.26 0.00 0.00 34.13 32.02 3kqe s GLU 21 CO -0.04 -0.73 1.20 0.00 -0.54 0.00 0.00 175.26 175.16 3kqe s LYS 23 N 3.44 2.66 -0.36 0.00 -0.14 -1.26 -4.89 119.74 119.18 3kqe s LYS 23 Ca 0.52 0.13 -0.42 0.00 -1.36 0.00 0.00 55.97 54.84 3kqe s LYS 23 Cb -0.20 -2.13 -0.17 0.00 -1.68 0.00 0.00 37.83 33.66 3kqe s LYS 23 CO 0.12 -1.02 1.79 -3.47 -0.76 0.00 0.00 175.35 172.01 3kqe n ASP 24 N -2.88 1.95 0.00 2.83 4.64 -1.26 -1.37 116.55 120.46 3kqe n ASP 24 Ca 0.06 1.01 0.00 0.00 -1.38 0.00 0.00 54.79 54.48 3kqe n ASP 24 Cb 0.58 -1.07 0.00 0.00 -1.04 0.00 0.00 41.12 39.59 3kqe n ASP 24 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kqe n GLY 25 N 4.64 0.64 0.08 0.27 0.00 -1.26 -4.94 105.19 104.63 3kqe n GLY 25 Ca 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.28 3kqe n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kqe h GLU 26 N 1.67 0.00 -1.81 1.61 5.08 -1.58 -3.39 114.58 116.17 3kqe h GLU 26 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 3kqe h GLU 26 Cb 0.06 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.90 3kqe h GLU 26 CO 0.00 0.81 -0.91 0.00 -1.00 0.00 0.00 179.01 177.91 3kqe h PRO 28 N 2.90 0.00 -0.00 0.00 0.13 -1.78 -2.75 132.00 130.50 3kqe h PRO 28 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3kqe h PRO 28 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3kqe h PRO 28 CO 0.68 0.01 -0.01 -2.67 -0.23 0.00 0.00 178.00 175.78 3kqe n TRP 29 N -3.11 0.00 -2.29 1.56 2.14 -1.02 -2.36 117.44 112.37 3kqe n TRP 29 Ca -0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 3kqe n TRP 29 Cb 0.26 -0.25 -0.03 0.00 -0.81 0.00 0.00 31.31 30.47 3kqe n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3kqe s GLN 30 N -2.51 4.41 0.19 -2.67 2.00 -1.04 -0.39 119.66 119.65 3kqe s GLN 30 Ca 0.31 1.96 0.11 0.00 -2.00 0.00 0.00 55.36 55.74 3kqe s GLN 30 Cb 0.20 -3.25 -0.04 0.00 0.80 0.00 0.00 33.01 30.73 3kqe s GLN 30 CO 0.45 -0.25 -0.24 0.00 -0.50 0.00 0.00 175.29 174.76 3kqe s ALA 31 N 0.44 2.54 -0.08 1.58 0.00 -0.20 -4.31 121.76 121.72 3kqe s ALA 31 Ca 0.58 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3kqe s ALA 31 Cb -0.34 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.46 3kqe s ALA 31 CO 0.34 0.44 -0.07 -1.17 0.00 0.00 0.00 175.76 175.30 3kqe s LEU 32 N -2.64 1.25 -0.14 0.00 2.96 0.09 -1.68 118.68 118.52 3kqe s LEU 32 Ca 0.20 -0.24 -0.25 0.00 -0.22 0.00 0.00 54.13 53.62 3kqe s LEU 32 Cb -0.08 -0.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.87 3kqe s LEU 32 CO 0.10 -0.08 0.81 -0.76 -1.32 0.00 0.00 176.35 175.10 3kqe s LEU 33 N 1.34 4.22 -0.06 -0.68 1.43 0.63 -0.13 118.68 125.42 3kqe s LEU 33 Ca -0.03 1.21 0.05 0.00 -1.03 0.00 0.00 54.13 54.33 3kqe s LEU 33 Cb -0.14 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.84 3kqe s LEU 33 CO -0.03 -0.33 -0.20 0.27 0.23 0.00 0.00 176.35 176.28 3kqe s ILE 34 N 1.79 2.50 0.56 -0.59 -4.36 -0.51 -0.83 121.20 119.77 3kqe s ILE 34 Ca 0.39 -0.92 -0.07 0.00 -0.26 0.00 0.00 60.65 59.79 3kqe s ILE 34 Cb -0.17 -1.94 0.12 0.00 1.25 0.00 0.00 42.46 41.72 3kqe s ILE 34 CO 0.15 0.57 0.77 -0.46 0.24 0.00 0.00 174.94 176.20 3kqe n ASN 35 N 2.74 0.30 -0.26 4.36 0.23 -0.57 -1.50 115.26 120.55 3kqe n ASN 35 Ca -0.17 -1.42 0.10 0.00 -0.53 0.00 0.00 54.58 52.55 3kqe n ASN 35 Cb 0.52 -0.56 0.35 0.00 -2.08 0.00 0.00 39.78 38.00 3kqe n ASN 35 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3kqe h GLU 36 N 0.00 0.75 0.00 -3.83 5.08 -1.91 -0.07 114.58 114.60 3kqe h GLU 36 Ca -0.25 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3kqe h GLU 36 Cb 0.74 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3kqe h GLU 36 CO 0.20 0.49 0.00 0.39 -1.00 0.00 0.00 179.01 179.09 3kqe n GLU 37 N -4.54 0.86 -1.81 2.33 1.02 -1.26 -4.90 120.64 112.35 3kqe n GLU 37 Ca 0.16 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.14 3kqe n GLU 37 Cb 0.38 -1.32 -0.04 0.00 -0.02 0.00 0.00 31.44 30.45 3kqe n GLU 37 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3kqe n ASN 38 N -0.82 -4.78 -4.71 1.62 5.15 -0.04 -5.02 115.26 106.66 3kqe n ASN 38 Ca 0.13 0.22 -0.35 0.00 -0.60 0.00 0.00 54.58 53.97 3kqe n ASN 38 Cb 0.06 -3.76 -0.09 0.00 -0.53 0.00 0.00 39.78 35.47 3kqe n ASN 38 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3kqe s GLU 39 N -3.93 3.48 0.27 1.20 2.02 -1.26 -4.81 118.70 115.67 3kqe s GLU 39 Ca 0.00 -0.32 -0.30 0.00 0.02 0.00 0.00 54.97 54.38 3kqe s GLU 39 Cb 0.00 -3.05 -0.10 0.00 0.10 0.00 0.00 34.13 31.08 3kqe s GLU 39 CO 0.00 0.56 1.41 0.20 0.02 0.00 0.00 175.26 177.45 3kqe s GLY 40 N -0.44 2.49 0.00 -1.39 0.00 -1.26 -1.51 107.32 105.21 3kqe s GLY 40 Ca 0.10 1.31 0.00 0.00 0.00 0.00 0.00 44.72 46.13 3kqe s GLY 40 CO 0.02 2.20 0.00 1.97 0.00 0.00 0.00 173.10 177.29 3kqe n PHE 41 N 1.97 0.00 -3.93 1.90 1.16 -0.01 -4.95 117.46 113.61 3kqe n PHE 41 Ca 0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.54 3kqe n PHE 41 Cb 0.41 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.20 3kqe n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3kqe s GLY 43 N -2.90 1.72 0.17 0.00 0.00 0.19 -0.27 107.32 106.23 3kqe s GLY 43 Ca 0.09 -2.12 -0.23 0.00 0.00 0.00 0.00 44.72 42.45 3kqe s GLY 43 CO -0.08 -1.61 0.69 -0.32 0.00 0.00 0.00 173.10 171.78 3kqe s GLY 44 N -4.71 -0.44 -0.10 0.20 0.00 -0.67 -3.43 107.32 98.17 3kqe s GLY 44 Ca 0.63 0.32 0.02 0.00 0.00 0.00 0.00 44.72 45.69 3kqe s GLY 44 CO 0.41 0.11 -0.15 -1.59 0.00 0.00 0.00 173.10 171.87 3kqe s THR 45 N -3.69 2.95 -0.16 0.90 2.01 0.72 -1.03 115.64 117.33 3kqe s THR 45 Ca 0.05 -0.72 -0.29 0.00 0.31 0.00 0.00 61.69 61.03 3kqe s THR 45 Cb -0.02 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 3kqe s THR 45 CO -0.06 0.55 1.19 -0.63 -0.69 0.00 0.00 174.62 174.98 3kqe s ILE 46 N -0.02 4.40 -0.22 1.82 1.01 0.47 -0.98 121.20 127.68 3kqe s ILE 46 Ca -0.04 1.69 0.09 0.00 0.00 0.00 0.00 60.65 62.39 3kqe s ILE 46 Cb -0.14 -4.09 -0.20 0.00 0.01 0.00 0.00 42.46 38.04 3kqe s ILE 46 CO 0.04 -0.12 -0.09 0.18 0.00 0.00 0.00 174.94 174.95 3kqe n LEU 47 N 6.27 1.60 0.00 2.97 4.77 -0.25 -0.96 117.00 131.40 3kqe n LEU 47 Ca 0.13 -0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 3kqe n LEU 47 Cb 0.45 -0.25 0.02 0.00 -2.33 0.00 0.00 43.42 41.32 3kqe n LEU 47 CO 0.55 0.72 0.42 -1.54 -1.33 0.00 0.00 177.39 176.20 3kqe n SER 48 N -2.99 -1.55 0.26 -1.43 3.41 -1.19 -4.66 113.62 105.47 3kqe n SER 48 Ca -0.38 -2.03 0.12 0.00 -0.26 0.00 0.00 58.87 56.31 3kqe n SER 48 Cb 1.05 2.58 0.73 0.00 -0.26 0.00 0.00 64.21 68.30 3kqe n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3kqe h GLU 49 N 0.00 0.00 -0.00 4.33 4.11 -1.98 -3.06 114.58 117.97 3kqe h GLU 49 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.20 3kqe h GLU 49 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3kqe h GLU 49 CO 0.29 0.11 -0.40 1.19 0.07 0.00 0.00 179.01 180.27 3kqe n PHE 50 N -3.77 0.00 -5.03 2.06 3.72 -1.26 0.38 117.46 113.56 3kqe n PHE 50 Ca -0.02 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.09 3kqe n PHE 50 Cb 0.21 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.59 3kqe n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3kqe s TYR 51 N -1.81 2.06 -0.05 1.38 2.02 -1.16 -0.59 117.35 119.20 3kqe s TYR 51 Ca 0.07 -0.64 0.06 0.00 -0.37 0.00 0.00 57.07 56.19 3kqe s TYR 51 Cb 0.09 -1.38 -0.02 0.00 -0.40 0.00 0.00 41.96 40.26 3kqe s TYR 51 CO 0.39 -0.21 -0.22 0.42 -1.57 0.00 0.00 175.55 174.35 3kqe s ILE 52 N 0.02 2.34 -0.16 2.71 -1.09 -0.02 -1.09 121.20 123.90 3kqe s ILE 52 Ca -0.06 -0.98 -0.06 0.00 -2.23 0.00 0.00 60.65 57.32 3kqe s ILE 52 Cb -0.13 -1.86 -0.04 0.00 -1.58 0.00 0.00 42.46 38.85 3kqe s ILE 52 CO 0.03 0.58 0.04 -0.22 -1.23 0.00 0.00 174.94 174.14 3kqe s LEU 53 N -0.41 3.72 0.00 2.97 2.96 -0.16 0.37 118.68 128.13 3kqe s LEU 53 Ca 0.04 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 3kqe s LEU 53 Cb -0.12 -1.92 -0.00 0.00 0.50 0.00 0.00 46.19 44.65 3kqe s LEU 53 CO 0.01 0.21 0.29 1.07 -1.32 0.00 0.00 176.35 176.62 3kqe n THR 54 N 3.27 0.00 -3.28 3.68 5.66 -0.26 -0.20 114.28 123.15 3kqe n THR 54 Ca -0.17 -1.31 -0.36 0.00 -3.05 0.00 0.00 64.05 59.16 3kqe n THR 54 Cb 0.53 0.76 -0.06 0.00 -1.55 0.00 0.00 70.33 70.00 3kqe n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kqe s ALA 55 N -2.52 3.53 0.21 1.79 0.00 -1.26 -1.39 121.76 122.13 3kqe s ALA 55 Ca 0.21 -0.04 -0.07 0.00 0.00 0.00 0.00 51.96 52.06 3kqe s ALA 55 Cb -0.00 -2.61 0.16 0.00 0.00 0.00 0.00 23.12 20.67 3kqe s ALA 55 CO 0.15 0.42 1.74 0.00 0.00 0.00 0.00 175.76 178.07 3kqe h ALA 56 N 3.54 0.99 -0.03 0.00 0.00 -1.71 -2.92 119.26 119.14 3kqe h ALA 56 Ca -0.48 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.19 3kqe h ALA 56 Cb 1.19 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3kqe h ALA 56 CO 0.66 0.66 0.03 1.12 0.00 0.00 0.00 179.25 181.71 3kqe h HIS 57 N 1.06 0.00 -0.06 0.00 2.07 -1.92 -1.69 115.15 114.62 3kqe h HIS 57 Ca 0.22 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.73 3kqe h HIS 57 Cb 0.35 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.33 3kqe h HIS 57 CO 0.03 0.00 -0.01 0.00 -3.07 0.00 0.00 177.93 174.88 3kqe n LEU 59 N -4.48 0.00 0.02 0.00 4.77 -0.63 -2.05 117.00 114.63 3kqe n LEU 59 Ca -0.02 0.50 0.11 0.00 -0.03 0.00 0.00 56.01 56.57 3kqe n LEU 59 Cb 0.12 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 3kqe n LEU 59 CO 0.35 -0.30 -0.12 -1.22 -1.33 0.00 0.00 177.39 174.77 3kqe n TYR 60 N -1.50 0.22 0.41 -1.77 4.02 -1.03 -4.32 117.16 113.19 3kqe n TYR 60 Ca 0.03 0.06 0.13 0.00 -0.01 0.00 0.00 57.90 58.11 3kqe n TYR 60 Cb 0.14 -0.41 0.49 0.00 -0.02 0.00 0.00 39.34 39.54 3kqe n TYR 60 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3kqe h GLN 61 N 0.00 0.00 -2.18 -0.72 1.08 -1.54 -3.45 115.11 108.30 3kqe h GLN 61 Ca 0.00 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 3kqe h GLN 61 Cb 0.75 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 27.96 3kqe h GLN 61 CO 0.00 0.00 0.02 0.00 -0.95 0.00 0.00 178.83 177.90 3kqe s ALA 61 N -3.34 -1.61 0.01 3.87 0.00 -1.26 -5.08 121.76 114.36 3kqe s ALA 61 Ca 0.05 1.89 -0.25 0.00 0.00 0.00 0.00 51.96 53.65 3kqe s ALA 61 Cb 0.10 -1.11 -0.18 0.00 0.00 0.00 0.00 23.12 21.93 3kqe s ALA 61 CO 0.48 -0.31 1.40 0.87 0.00 0.00 0.00 175.76 178.20 3kqe h LYS 62 N 5.51 -0.04 -5.41 0.00 1.57 -1.87 -3.44 116.57 112.89 3kqe h LYS 62 Ca -0.29 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.93 3kqe h LYS 62 Cb 1.18 0.01 -0.31 0.00 0.08 0.00 0.00 32.23 33.19 3kqe h LYS 62 CO 0.12 0.29 -0.84 0.50 -0.57 0.00 0.00 179.45 178.95 3kqe s ARG 63 N -4.86 1.67 0.00 3.15 3.52 -1.26 -5.13 118.95 116.04 3kqe s ARG 63 Ca -0.15 -0.61 -0.12 0.00 -0.13 0.00 0.00 55.73 54.72 3kqe s ARG 63 Cb 0.03 -1.50 0.01 0.00 -1.56 0.00 0.00 34.95 31.94 3kqe s ARG 63 CO 0.66 0.28 0.25 -0.59 -0.81 0.00 0.00 175.30 175.09 3kqe s PHE 64 N -0.09 -0.08 0.47 5.12 -0.12 -1.26 -3.69 117.98 118.32 3kqe s PHE 64 Ca -0.01 0.06 0.06 0.00 -0.05 0.00 0.00 56.93 56.99 3kqe s PHE 64 Cb -0.10 0.04 -0.02 0.00 -0.63 0.00 0.00 43.02 42.31 3kqe s PHE 64 CO 0.01 -0.38 0.20 0.15 -0.05 0.00 0.00 175.22 175.16 3kqe s LYS 65 N -1.61 2.22 -0.21 1.99 1.02 -0.56 -4.50 119.74 118.08 3kqe s LYS 65 Ca -0.12 -2.01 0.02 0.00 0.02 0.00 0.00 55.97 53.88 3kqe s LYS 65 Cb -0.05 -1.92 0.04 0.00 -0.52 0.00 0.00 37.83 35.38 3kqe s LYS 65 CO 0.02 -0.30 -0.16 0.08 -0.92 0.00 0.00 175.35 174.07 3kqe s VAL 66 N -2.70 2.14 -0.10 3.17 1.01 0.85 -1.42 120.40 123.35 3kqe s VAL 66 Ca 0.32 -1.21 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 3kqe s VAL 66 Cb 0.02 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 3kqe s VAL 66 CO 0.18 0.30 0.38 -0.60 0.00 0.00 0.00 175.10 175.37 3kqe s ARG 67 N 1.22 4.16 0.29 2.72 3.52 0.81 -0.72 118.95 130.95 3kqe s ARG 67 Ca -0.01 0.30 0.10 0.00 -0.13 0.00 0.00 55.73 55.99 3kqe s ARG 67 Cb -0.16 -3.36 -0.06 0.00 -1.56 0.00 0.00 34.95 29.81 3kqe s ARG 67 CO -0.10 0.35 -0.14 0.14 -0.81 0.00 0.00 175.30 174.75 3kqe s VAL 68 N 0.04 2.20 -0.79 7.11 -7.23 -0.34 -0.73 120.40 120.66 3kqe s VAL 68 Ca 0.22 -2.28 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 3kqe s VAL 68 Cb -0.15 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.40 3kqe s VAL 68 CO 0.09 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 3kqe n GLY 69 N -0.64 0.75 3.77 2.32 0.00 -1.25 -2.29 105.19 107.86 3kqe n GLY 69 Ca -0.05 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 3kqe n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kqe s ASP 70 N -2.31 6.87 0.00 1.61 2.15 -1.26 -4.18 116.67 119.54 3kqe s ASP 70 Ca 0.00 1.03 0.00 0.00 0.43 0.00 0.00 52.55 54.01 3kqe s ASP 70 Cb 0.00 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 3kqe s ASP 70 CO 0.00 0.13 0.00 0.54 -0.17 0.00 0.00 175.17 175.67 3kqe n ARG 71 N 2.72 2.39 -3.58 4.34 1.74 -1.26 -4.89 116.66 118.12 3kqe n ARG 71 Ca -0.09 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.78 3kqe n ARG 71 Cb 0.51 -0.83 -0.15 0.00 -1.02 0.00 0.00 32.46 30.97 3kqe n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3kqe s ASN 72 N -1.91 1.63 0.46 0.55 2.47 -1.25 -0.52 114.94 116.37 3kqe s ASN 72 Ca 0.00 -0.26 0.22 0.00 0.42 0.00 0.00 52.86 53.25 3kqe s ASN 72 Cb 0.00 0.08 1.13 0.00 -1.45 0.00 0.00 41.25 41.01 3kqe s ASN 72 CO 0.00 -0.32 1.95 0.71 -3.72 0.00 0.00 177.10 175.73 3kqe h THR 73 N 6.37 0.76 -0.16 -5.21 1.35 -0.07 -3.17 112.91 112.79 3kqe h THR 73 Ca -0.15 -0.86 -0.11 0.00 -0.55 0.00 0.00 66.41 64.73 3kqe h THR 73 Cb 1.14 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 3kqe h THR 73 CO 0.25 0.21 -0.40 -0.33 -0.25 0.00 0.00 175.52 175.00 3kqe h GLU 74 N 0.00 0.35 -5.16 4.72 4.39 -1.98 -3.43 114.58 113.47 3kqe h GLU 74 Ca -0.00 -0.17 -0.66 0.00 0.34 0.00 0.00 59.36 58.87 3kqe h GLU 74 Cb 0.51 -0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 28.88 3kqe h GLU 74 CO 0.03 0.70 -0.76 -0.65 -1.16 0.00 0.00 179.01 177.17 3kqe s GLN 75 N -4.19 3.34 -0.41 2.33 -1.52 -1.20 -5.07 119.66 112.94 3kqe s GLN 75 Ca -0.05 -0.68 -0.28 0.00 -1.95 0.00 0.00 55.36 52.40 3kqe s GLN 75 Cb 0.13 -2.78 -0.01 0.00 -0.22 0.00 0.00 33.01 30.13 3kqe s GLN 75 CO 0.79 -0.00 1.65 -2.00 -0.25 0.00 0.00 175.29 175.48 3kqe s GLU 76 N 0.92 3.32 0.32 2.91 -6.30 -1.26 -4.77 118.70 113.84 3kqe s GLU 76 Ca -0.02 1.10 0.15 0.00 -2.50 0.00 0.00 54.97 53.69 3kqe s GLU 76 Cb -0.15 -4.16 0.50 0.00 0.00 0.00 0.00 34.13 30.33 3kqe s GLU 76 CO -0.00 -1.88 1.66 0.93 0.02 0.00 0.00 175.26 175.99 3kqe h GLU 77 N 12.29 0.00 0.00 4.30 5.08 -1.94 -3.48 114.58 130.84 3kqe h GLU 77 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3kqe h GLU 77 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3kqe h GLU 77 CO 1.08 0.50 0.00 0.41 -1.00 0.00 0.00 179.01 180.00 3kqe n GLY 78 N 0.29 2.70 0.01 -3.84 0.00 -1.26 -4.75 105.19 98.34 3kqe n GLY 78 Ca -0.01 -0.69 0.11 0.00 0.00 0.00 0.00 46.02 45.44 3kqe n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqe n GLY 79 N 0.00 -1.33 3.77 -0.02 0.00 -1.26 -4.81 105.19 101.53 3kqe n GLY 79 Ca 0.00 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 3kqe n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kqe s GLU 80 N -3.02 4.34 0.00 1.61 2.02 -1.26 -4.67 118.70 117.72 3kqe s GLU 80 Ca 0.11 1.85 0.00 0.00 0.02 0.00 0.00 54.97 56.95 3kqe s GLU 80 Cb 0.15 -2.92 -0.00 0.00 0.10 0.00 0.00 34.13 31.45 3kqe s GLU 80 CO 0.44 -0.07 -0.01 0.00 0.02 0.00 0.00 175.26 175.63 3kqe s ALA 81 N -1.30 0.12 -0.17 5.21 0.00 -0.97 -5.00 121.76 119.64 3kqe s ALA 81 Ca 0.51 -0.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.31 3kqe s ALA 81 Cb -0.32 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3kqe s ALA 81 CO 0.40 0.02 0.06 0.08 0.00 0.00 0.00 175.76 176.32 3kqe s VAL 82 N -0.11 4.77 -0.03 0.00 1.01 -1.26 -1.19 120.40 123.58 3kqe s VAL 82 Ca -0.00 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 61.98 3kqe s VAL 82 Cb -0.01 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 3kqe s VAL 82 CO -0.00 0.49 -0.18 -1.00 0.00 0.00 0.00 175.10 174.41 3kqe s HIS 83 N 0.15 1.73 0.27 5.22 3.76 0.10 -4.98 115.29 121.54 3kqe s HIS 83 Ca 0.05 -0.44 -0.12 0.00 -0.15 0.00 0.00 55.06 54.40 3kqe s HIS 83 Cb -0.12 -1.15 -0.08 0.00 1.11 0.00 0.00 32.58 32.34 3kqe s HIS 83 CO 0.01 -0.12 0.63 -1.21 -0.85 0.00 0.00 174.74 173.19 3kqe s GLU 84 N -0.14 3.89 -0.17 1.40 2.02 -1.26 -0.10 118.70 124.34 3kqe s GLU 84 Ca 0.00 0.44 -0.17 0.00 0.02 0.00 0.00 54.97 55.27 3kqe s GLU 84 Cb -0.10 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.52 3kqe s GLU 84 CO 0.01 0.26 0.43 0.08 0.02 0.00 0.00 175.26 176.06 3kqe s VAL 85 N -1.88 5.20 -0.13 2.63 1.01 -1.26 -1.16 120.40 124.81 3kqe s VAL 85 Ca 0.50 0.80 -0.09 0.00 0.00 0.00 0.00 61.98 63.20 3kqe s VAL 85 Cb -0.11 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 3kqe s VAL 85 CO 0.20 0.28 -0.02 -0.08 0.00 0.00 0.00 175.10 175.48 3kqe h GLU 86 N 7.09 0.00 -5.54 2.72 4.81 -1.03 -3.45 114.58 119.18 3kqe h GLU 86 Ca -0.38 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.24 3kqe h GLU 86 Cb 1.17 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.23 3kqe h GLU 86 CO 0.74 0.16 -0.86 0.08 -0.73 0.00 0.00 179.01 178.40 3kqe s VAL 87 N -2.02 1.68 -0.30 0.32 1.01 -1.04 -5.01 120.40 115.04 3kqe s VAL 87 Ca -0.12 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 3kqe s VAL 87 Cb 0.01 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.96 3kqe s VAL 87 CO 0.21 0.48 0.09 -0.69 0.00 0.00 0.00 175.10 175.19 3kqe s VAL 88 N -0.00 4.07 -0.65 2.92 1.01 -1.26 -0.79 120.40 125.71 3kqe s VAL 88 Ca -0.05 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 3kqe s VAL 88 Cb -0.13 -3.10 0.17 0.00 0.00 0.00 0.00 36.38 33.32 3kqe s VAL 88 CO 0.03 0.07 0.51 -0.63 0.00 0.00 0.00 175.10 175.08 3kqe s ILE 89 N 1.52 4.39 -0.03 2.22 1.01 0.46 -5.01 121.20 125.76 3kqe s ILE 89 Ca 0.03 -2.52 -0.12 0.00 0.00 0.00 0.00 60.65 58.03 3kqe s ILE 89 Cb -0.17 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 3kqe s ILE 89 CO 0.03 -0.90 0.34 -0.75 0.00 0.00 0.00 174.94 173.66 3kqe s LYS 90 N 0.36 3.78 -0.23 2.79 2.20 -1.26 -1.23 119.74 126.14 3kqe s LYS 90 Ca 0.14 0.25 -0.29 0.00 -0.36 0.00 0.00 55.97 55.71 3kqe s LYS 90 Cb -0.19 -3.20 -0.02 0.00 -1.51 0.00 0.00 37.83 32.92 3kqe s LYS 90 CO -0.04 0.71 1.48 -1.58 -0.36 0.00 0.00 175.35 175.55 3kqe s HIS 91 N -1.09 2.36 0.58 4.03 5.65 -1.18 -4.92 115.29 120.72 3kqe s HIS 91 Ca 0.22 0.67 0.28 0.00 0.25 0.00 0.00 55.06 56.48 3kqe s HIS 91 Cb -0.15 -3.90 1.57 0.00 -1.18 0.00 0.00 32.58 28.92 3kqe s HIS 91 CO 0.11 -2.48 2.04 -2.95 -0.65 0.00 0.00 174.74 170.81 3kqe h ASN 92 N 9.92 0.00 0.13 9.88 -1.07 -1.93 -1.70 115.58 130.81 3kqe h ASN 92 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.06 3kqe h ASN 92 Cb 1.13 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.38 3kqe h ASN 92 CO 1.00 0.00 -0.02 0.54 0.07 0.00 0.00 177.43 179.02 3kqe n ARG 93 N -3.87 1.00 -2.45 4.14 1.74 -1.26 -4.88 116.66 111.09 3kqe n ARG 93 Ca 0.04 -0.24 -0.41 0.00 -0.77 0.00 0.00 57.85 56.48 3kqe n ARG 93 Cb 0.43 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.34 3kqe n ARG 93 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3kqe s PHE 94 N -2.16 3.52 -0.10 -1.55 5.36 -0.64 -4.73 117.98 117.69 3kqe s PHE 94 Ca 0.40 1.58 -0.08 0.00 -0.96 0.00 0.00 56.93 57.86 3kqe s PHE 94 Cb 0.21 -3.34 0.03 0.00 -0.34 0.00 0.00 43.02 39.58 3kqe s PHE 94 CO 0.39 -0.80 0.26 -0.08 -1.46 0.00 0.00 175.22 173.53 3kqe s THR 95 N -0.53 -0.01 -0.10 0.12 -1.32 -1.26 -5.03 115.64 107.51 3kqe s THR 95 Ca 0.49 0.02 0.28 0.00 -1.21 0.00 0.00 61.69 61.27 3kqe s THR 95 Cb -0.32 -0.37 0.29 0.00 -1.51 0.00 0.00 72.50 70.60 3kqe s THR 95 CO 0.38 0.01 1.84 0.07 -2.21 0.00 0.00 174.62 174.72 3kqe h LYS 96 N 5.98 0.00 -0.16 7.08 2.10 -1.96 -0.07 116.57 129.54 3kqe h LYS 96 Ca -0.28 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.23 3kqe h LYS 96 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 3kqe h LYS 96 CO 0.35 0.00 -0.48 0.93 -2.00 0.00 0.00 179.45 178.25 3kqe h GLU 97 N 0.00 0.42 0.00 0.07 4.39 -1.99 -3.36 114.58 114.11 3kqe h GLU 97 Ca 0.00 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.47 3kqe h GLU 97 Cb 0.19 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3kqe h GLU 97 CO 0.00 0.81 -1.06 0.25 -1.16 0.00 0.00 179.01 177.85 3kqe n THR 98 N -3.98 0.01 -1.21 1.13 -2.24 -1.11 -5.01 114.28 101.86 3kqe n THR 98 Ca -0.02 -0.03 -0.07 0.00 -2.27 0.00 0.00 64.05 61.66 3kqe n THR 98 Cb 0.55 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 3kqe n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3kqe n TYR 99 N -1.58 0.00 -1.69 4.78 4.02 -0.06 -4.95 117.16 117.69 3kqe n TYR 99 Ca -0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.56 3kqe n TYR 99 Cb 0.07 -2.20 0.05 0.00 -0.02 0.00 0.00 39.34 37.24 3kqe n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3kqe s ASP 100 N -2.34 5.17 -1.44 7.72 2.15 -1.26 -3.66 116.67 123.01 3kqe s ASP 100 Ca 0.00 1.86 -0.07 0.00 0.43 0.00 0.00 52.55 54.77 3kqe s ASP 100 Cb 0.00 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 40.13 3kqe s ASP 100 CO 0.00 -1.58 0.61 0.49 -0.17 0.00 0.00 175.17 174.51 3kqe n PHE 101 N -2.67 -1.96 -2.01 -5.34 3.72 -1.26 -4.04 117.46 103.89 3kqe n PHE 101 Ca 0.09 0.54 -0.39 0.00 -0.05 0.00 0.00 57.45 57.64 3kqe n PHE 101 Cb 0.53 -3.86 -0.02 0.00 -0.94 0.00 0.00 39.48 35.18 3kqe n PHE 101 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3kqe n ASP 102 N -2.47 3.83 -3.79 4.37 2.03 -1.24 -4.44 116.55 114.84 3kqe n ASP 102 Ca -0.06 -2.81 -0.13 0.00 0.52 0.00 0.00 54.79 52.32 3kqe n ASP 102 Cb 0.58 -1.62 -0.10 0.00 -0.72 0.00 0.00 41.12 39.26 3kqe n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3kqe s ILE 103 N 5.74 0.04 0.00 5.18 2.07 -1.26 -4.07 121.20 128.90 3kqe s ILE 103 Ca 0.56 -0.31 -0.22 0.00 -1.41 0.00 0.00 60.65 59.27 3kqe s ILE 103 Cb 0.07 -0.48 0.05 0.00 0.13 0.00 0.00 42.46 42.23 3kqe s ILE 103 CO 0.06 -0.17 0.50 0.00 -1.91 0.00 0.00 174.94 173.42 3kqe s ALA 104 N -0.68 -1.27 -0.07 1.50 0.00 -0.48 -3.11 121.76 117.65 3kqe s ALA 104 Ca -0.08 0.70 0.05 0.00 0.00 0.00 0.00 51.96 52.63 3kqe s ALA 104 Cb -0.04 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 3kqe s ALA 104 CO 0.02 -0.39 -0.24 0.08 0.00 0.00 0.00 175.76 175.23 3kqe s VAL 105 N -1.78 1.98 -0.15 0.00 1.01 -0.37 -1.10 120.40 120.00 3kqe s VAL 105 Ca -0.09 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 3kqe s VAL 105 Cb -0.02 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 3kqe s VAL 105 CO 0.03 0.55 -0.10 -0.76 0.00 0.00 0.00 175.10 174.82 3kqe s LEU 106 N 0.07 2.84 -0.21 3.92 1.43 0.16 -0.40 118.68 126.49 3kqe s LEU 106 Ca -0.10 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 3kqe s LEU 106 Cb -0.15 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3kqe s LEU 106 CO 0.06 0.14 0.20 -0.60 0.23 0.00 0.00 176.35 176.37 3kqe s ARG 107 N 0.50 4.16 0.48 1.70 3.52 0.03 -0.84 118.95 128.51 3kqe s ARG 107 Ca -0.07 -0.13 -0.08 0.00 -0.13 0.00 0.00 55.73 55.31 3kqe s ARG 107 Cb -0.15 -3.47 -0.05 0.00 -1.56 0.00 0.00 34.95 29.72 3kqe s ARG 107 CO 0.04 0.18 0.83 -0.51 -0.81 0.00 0.00 175.30 175.02 3kqe s LEU 108 N 0.71 3.64 0.07 -0.88 1.43 0.24 -0.52 118.68 123.37 3kqe s LEU 108 Ca 0.11 1.11 -0.16 0.00 -1.03 0.00 0.00 54.13 54.16 3kqe s LEU 108 Cb -0.13 -4.05 -0.15 0.00 0.03 0.00 0.00 46.19 41.90 3kqe s LEU 108 CO 0.02 -0.56 1.30 0.50 0.23 0.00 0.00 176.35 177.84 3kqe h LYS 109 N 0.54 0.65 -6.69 1.70 1.63 -1.44 -3.41 116.57 109.55 3kqe h LYS 109 Ca -0.47 -0.48 -0.69 0.00 -0.85 0.00 0.00 60.65 58.17 3kqe h LYS 109 Cb 1.20 0.08 -0.24 0.00 -0.60 0.00 0.00 32.23 32.66 3kqe h LYS 109 CO 0.62 1.10 -0.85 0.95 -3.45 0.00 0.00 179.45 177.82 3kqe s THR 110 N -3.87 2.40 0.42 1.00 -4.23 -1.26 -5.03 115.64 105.07 3kqe s THR 110 Ca -0.12 -1.35 -0.24 0.00 -1.18 0.00 0.00 61.69 58.80 3kqe s THR 110 Cb 0.07 -1.98 -0.08 0.00 1.34 0.00 0.00 72.50 71.85 3kqe s THR 110 CO 0.85 0.33 1.13 -2.16 -0.54 0.00 0.00 174.62 174.23 3kqe s PRO 111 N -1.39 4.00 0.30 3.99 0.04 -1.26 -4.81 135.00 135.87 3kqe s PRO 111 Ca 0.13 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 3kqe s PRO 111 Cb -0.10 -2.55 -0.10 0.00 0.04 0.00 0.00 34.50 31.79 3kqe s PRO 111 CO 0.04 -0.34 1.24 0.42 0.04 0.00 0.00 177.00 178.40 3kqe s ILE 112 N -1.53 3.00 -0.39 0.56 1.01 0.16 -4.99 121.20 119.02 3kqe s ILE 112 Ca 0.59 0.99 -0.19 0.00 0.00 0.00 0.00 60.65 62.05 3kqe s ILE 112 Cb -0.27 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.57 3kqe s ILE 112 CO 0.34 0.23 0.54 -0.89 0.00 0.00 0.00 174.94 175.16 3kqe s THR 113 N -1.03 4.97 0.08 2.92 2.01 -1.26 -4.76 115.64 118.57 3kqe s THR 113 Ca 0.48 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.34 3kqe s THR 113 Cb -0.37 -4.05 -0.06 0.00 0.01 0.00 0.00 72.50 68.03 3kqe s THR 113 CO 0.48 -0.37 1.15 -0.36 -0.69 0.00 0.00 174.62 174.83 3kqe s PHE 114 N 2.48 3.50 0.00 4.92 0.08 -1.26 -4.86 117.98 122.84 3kqe s PHE 114 Ca 0.19 1.42 0.00 0.00 0.12 0.00 0.00 56.93 58.66 3kqe s PHE 114 Cb -0.15 -3.35 0.00 0.00 -0.57 0.00 0.00 43.02 38.95 3kqe s PHE 114 CO 0.15 -0.96 0.00 2.89 -0.10 0.00 0.00 175.22 177.20 3kqe n ARG 115 N 3.55 0.00 -1.83 0.44 1.85 -0.18 -5.00 116.66 115.49 3kqe n ARG 115 Ca 0.07 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.50 3kqe n ARG 115 Cb 0.47 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.85 3kqe n ARG 115 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 3kqe s MET 116 N -1.47 4.17 0.00 2.89 -2.45 -1.26 -1.05 119.30 120.12 3kqe s MET 116 Ca 0.00 2.49 0.00 0.00 -1.25 0.00 0.00 55.69 56.93 3kqe s MET 116 Cb 0.00 -3.11 0.00 0.00 1.25 0.00 0.00 34.83 32.97 3kqe s MET 116 CO 0.00 -0.68 0.00 0.09 1.05 0.00 0.00 175.02 175.48 3kqe n ASN 117 N 3.94 -2.29 -3.63 1.11 3.02 -1.26 -4.95 115.26 111.20 3kqe n ASN 117 Ca 0.15 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.41 3kqe n ASN 117 Cb 0.37 -1.10 -0.15 0.00 -0.61 0.00 0.00 39.78 38.28 3kqe n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kqe s VAL 118 N -2.29 0.31 -0.13 2.41 1.01 -0.22 -3.78 120.40 117.71 3kqe s VAL 118 Ca 0.00 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 60.80 3kqe s VAL 118 Cb 0.00 -1.18 0.07 0.00 0.00 0.00 0.00 36.38 35.26 3kqe s VAL 118 CO 0.00 -0.62 0.67 0.00 0.00 0.00 0.00 175.10 175.16 3kqe s ALA 119 N 1.91 -1.72 0.57 5.51 0.00 -0.99 -1.01 121.76 126.03 3kqe s ALA 119 Ca 0.08 1.52 -0.09 0.00 0.00 0.00 0.00 51.96 53.47 3kqe s ALA 119 Cb -0.17 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3kqe s ALA 119 CO -0.28 -0.35 0.94 -1.25 0.00 0.00 0.00 175.76 174.83 3kqe s PRO 120 N -0.61 3.60 0.27 0.00 0.04 -1.26 -2.44 135.00 134.59 3kqe s PRO 120 Ca -0.07 0.57 -0.07 0.00 0.04 0.00 0.00 61.00 61.47 3kqe s PRO 120 Cb -0.02 -2.18 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 3kqe s PRO 120 CO 0.06 -0.43 0.56 0.00 0.04 0.00 0.00 177.00 177.24 3kqe s ALA 121 N -3.00 3.59 0.35 8.56 0.00 -0.13 -4.86 121.76 126.26 3kqe s ALA 121 Ca 0.53 -0.42 -0.26 0.00 0.00 0.00 0.00 51.96 51.81 3kqe s ALA 121 Cb -0.11 -2.38 -0.09 0.00 0.00 0.00 0.00 23.12 20.54 3kqe s ALA 121 CO 0.50 0.34 1.01 0.00 0.00 0.00 0.00 175.76 177.61 3kqe s LEU 123 N -2.24 4.07 0.86 0.00 1.43 -1.26 -0.47 118.68 121.07 3kqe s LEU 123 Ca 0.53 0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.87 3kqe s LEU 123 Cb -0.22 -2.46 0.15 0.00 0.03 0.00 0.00 46.19 43.69 3kqe s LEU 123 CO 0.28 -0.16 1.21 -2.16 0.23 0.00 0.00 176.35 175.74 3kqe s PRO 124 N 1.89 1.26 0.20 1.29 0.04 -1.26 -5.00 135.00 133.42 3kqe s PRO 124 Ca 0.16 -0.38 -0.16 0.00 0.04 0.00 0.00 61.00 60.67 3kqe s PRO 124 Cb -0.15 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 3kqe s PRO 124 CO 0.09 -1.96 0.63 -1.21 0.04 0.00 0.00 177.00 174.59 3kqe s GLU 124 N -5.64 4.05 0.09 4.56 2.02 -1.26 -4.96 118.70 117.57 3kqe s GLU 124 Ca 0.69 0.61 -0.26 0.00 0.02 0.00 0.00 54.97 56.02 3kqe s GLU 124 Cb -0.06 -2.83 -0.10 0.00 0.10 0.00 0.00 34.13 31.24 3kqe s GLU 124 CO 0.50 0.40 1.42 -0.09 0.02 0.00 0.00 175.26 177.51 3kqe h ARG 125 N 3.26 -0.40 -0.33 1.61 2.43 -1.98 -1.20 114.38 117.78 3kqe h ARG 125 Ca -0.48 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3kqe h ARG 125 Cb 1.19 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 3kqe h ARG 125 CO 0.66 -0.27 0.20 -0.44 -1.51 0.00 0.00 179.97 178.61 3kqe h ASP 126 N -0.41 0.40 -0.52 -3.80 3.45 -1.96 -2.17 116.42 111.41 3kqe h ASP 126 Ca 0.03 -0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.42 3kqe h ASP 126 Cb 0.51 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.15 3kqe h ASP 126 CO -0.37 0.35 0.29 -0.25 -1.57 0.00 0.00 179.24 177.69 3kqe h TRP 127 N 0.43 0.71 -0.81 4.55 7.01 -1.98 0.94 115.95 126.80 3kqe h TRP 127 Ca 0.12 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.17 3kqe h TRP 127 Cb 0.02 -0.23 -0.06 0.00 -2.10 0.00 0.00 29.16 26.79 3kqe h TRP 127 CO -0.04 0.52 0.49 0.00 -2.79 0.00 0.00 178.44 176.62 3kqe h ALA 128 N 1.13 1.12 -0.22 2.65 0.00 -1.09 0.37 119.26 123.22 3kqe h ALA 128 Ca 0.18 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3kqe h ALA 128 Cb 0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3kqe h ALA 128 CO -0.03 0.22 -0.29 0.93 0.00 0.00 0.00 179.25 180.08 3kqe h GLU 129 N 0.90 0.59 0.00 0.00 5.08 -0.84 0.27 114.58 120.57 3kqe h GLU 129 Ca 0.36 -0.34 -0.22 0.00 -1.00 0.00 0.00 59.36 58.16 3kqe h GLU 129 Cb 0.18 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3kqe h GLU 129 CO -0.18 0.94 -1.20 0.66 -1.00 0.00 0.00 179.01 178.23 3kqe h SER 130 N 0.28 0.00 0.00 1.42 4.64 -0.62 -3.36 113.55 115.91 3kqe h SER 130 Ca 0.03 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.16 3kqe h SER 130 Cb 0.86 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.92 3kqe h SER 130 CO 0.07 0.89 -1.68 0.41 -0.87 0.00 0.00 176.83 175.65 3kqe n THR 131 N -3.19 0.68 -0.08 2.95 -1.04 0.13 -4.46 114.28 109.27 3kqe n THR 131 Ca -0.06 -0.25 -0.15 0.00 -2.04 0.00 0.00 64.05 61.55 3kqe n THR 131 Cb 0.94 -1.04 -0.13 0.00 -1.82 0.00 0.00 70.33 68.28 3kqe n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kqe h LEU 131 N -0.07 0.00 -2.22 -4.42 3.38 -1.12 -3.34 115.31 107.52 3kqe h LEU 131 Ca -0.27 -0.90 -0.01 0.00 0.09 0.00 0.00 57.88 56.78 3kqe h LEU 131 Cb 1.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 3kqe h LEU 131 CO -0.07 1.07 -0.06 0.24 0.09 0.00 0.00 178.44 179.72 3kqe h MET 131 N -1.00 0.00 -0.01 1.13 2.86 -0.66 -2.44 114.93 114.81 3kqe h MET 131 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3kqe h MET 131 Cb 1.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.69 3kqe h MET 131 CO -0.03 0.06 -0.04 0.25 1.06 0.00 0.00 176.91 178.20 3kqe n THR 132 N -3.60 0.00 -1.56 2.22 -2.24 -1.26 -4.90 114.28 102.95 3kqe n THR 132 Ca -0.02 -0.16 -0.32 0.00 -2.27 0.00 0.00 64.05 61.28 3kqe n THR 132 Cb 0.17 0.22 0.06 0.00 -2.10 0.00 0.00 70.33 68.68 3kqe n THR 132 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3kqe s GLN 133 N -2.11 2.73 0.19 -0.78 -1.52 -0.92 -4.96 119.66 112.28 3kqe s GLN 133 Ca 0.37 1.13 -0.12 0.00 -1.95 0.00 0.00 55.36 54.80 3kqe s GLN 133 Cb 0.21 -1.96 0.10 0.00 -0.22 0.00 0.00 33.01 31.15 3kqe s GLN 133 CO 0.38 -1.27 1.80 1.57 -0.25 0.00 0.00 175.29 177.51 3kqe h LYS 134 N -0.59 0.91 -4.53 2.91 2.10 -1.90 -3.42 116.57 112.06 3kqe h LYS 134 Ca -0.45 -0.11 -0.22 0.00 -2.00 0.00 0.00 60.65 57.88 3kqe h LYS 134 Cb 1.22 -0.18 -0.15 0.00 -0.90 0.00 0.00 32.23 32.23 3kqe h LYS 134 CO 0.54 0.69 -0.64 0.95 -2.00 0.00 0.00 179.45 179.00 3kqe s THR 135 N -5.83 0.12 0.39 0.07 -4.23 -1.26 0.01 115.64 104.91 3kqe s THR 135 Ca -0.13 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.47 3kqe s THR 135 Cb 0.14 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 3kqe s THR 135 CO 0.78 -0.28 0.10 -0.83 -0.54 0.00 0.00 174.62 173.86 3kqe s GLY 136 N -3.11 2.46 -0.12 3.99 0.00 -0.79 -4.71 107.32 105.04 3kqe s GLY 136 Ca 0.30 -1.44 0.02 0.00 0.00 0.00 0.00 44.72 43.61 3kqe s GLY 136 CO 0.06 -1.84 -0.20 -0.42 0.00 0.00 0.00 173.10 170.70 3kqe s ILE 137 N -3.23 1.86 0.05 0.90 1.09 0.14 -0.96 121.20 121.05 3kqe s ILE 137 Ca 0.27 -0.87 0.01 0.00 -1.10 0.00 0.00 60.65 58.96 3kqe s ILE 137 Cb 0.04 -1.66 -0.04 0.00 -1.06 0.00 0.00 42.46 39.75 3kqe s ILE 137 CO 0.14 0.51 0.12 0.54 -0.10 0.00 0.00 174.94 176.15 3kqe s VAL 138 N 0.82 4.86 0.07 2.92 0.11 0.04 -1.24 120.40 127.97 3kqe s VAL 138 Ca -0.08 -0.55 -0.08 0.00 -2.93 0.00 0.00 61.98 58.34 3kqe s VAL 138 Cb -0.16 -3.32 -0.00 0.00 -1.53 0.00 0.00 36.38 31.37 3kqe s VAL 138 CO -0.01 0.19 0.16 -0.94 -3.33 0.00 0.00 175.10 171.18 3kqe s SER 139 N -2.26 0.13 0.00 3.54 1.04 -1.07 -0.55 113.70 114.55 3kqe s SER 139 Ca 0.29 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3kqe s SER 139 Cb -0.12 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.30 3kqe s SER 139 CO 0.22 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.40 3kqe n GLY 140 N 0.24 -0.27 1.52 7.32 0.00 -0.12 -4.16 105.19 109.72 3kqe n GLY 140 Ca -0.16 -1.13 0.09 0.00 0.00 0.00 0.00 46.02 44.81 3kqe n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kqe n PHE 141 N -0.58 1.50 -1.19 1.61 3.01 -1.26 -1.68 117.46 118.87 3kqe n PHE 141 Ca 0.00 -0.66 -0.30 0.00 1.01 0.00 0.00 57.45 57.50 3kqe n PHE 141 Cb 0.00 -0.29 0.23 0.00 -0.01 0.00 0.00 39.48 39.40 3kqe n PHE 141 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3kqe s GLY 142 N -1.00 1.60 0.27 1.37 0.00 -1.26 -0.55 107.32 107.75 3kqe s GLY 142 Ca 0.49 -0.92 -0.29 0.00 0.00 0.00 0.00 44.72 44.01 3kqe s GLY 142 CO 0.21 -0.07 1.04 0.54 0.00 0.00 0.00 173.10 174.82 3kqe n ARG 143 N -4.59 1.33 0.03 2.90 1.74 -0.40 -2.90 116.66 114.78 3kqe n ARG 143 Ca 0.12 0.47 0.12 0.00 -0.77 0.00 0.00 57.85 57.79 3kqe n ARG 143 Cb 0.59 -1.86 0.15 0.00 -1.02 0.00 0.00 32.46 30.32 3kqe n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kqe n THR 144 N 0.48 0.19 -3.82 0.55 -2.24 -1.26 -1.38 114.28 106.80 3kqe n THR 144 Ca 0.11 -0.18 -0.12 0.00 -2.27 0.00 0.00 64.05 61.59 3kqe n THR 144 Cb 0.31 0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.52 3kqe n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kqe s HIS 145 N -3.12 -0.11 0.27 4.78 3.76 -1.26 -4.31 115.29 115.29 3kqe s HIS 145 Ca 0.07 0.23 -0.05 0.00 -0.15 0.00 0.00 55.06 55.16 3kqe s HIS 145 Cb 0.15 0.03 0.53 0.00 1.11 0.00 0.00 32.58 34.40 3kqe s HIS 145 CO 0.74 -0.24 1.59 1.49 -0.85 0.00 0.00 174.74 177.47 3kqe h GLU 146 N 4.82 0.03 -4.32 1.40 4.81 -1.89 -3.02 114.58 116.41 3kqe h GLU 146 Ca -0.28 -0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.21 3kqe h GLU 146 Cb 1.19 -0.01 -0.23 0.00 0.63 0.00 0.00 28.75 30.33 3kqe h GLU 146 CO 0.39 0.02 -0.35 0.15 -0.73 0.00 0.00 179.01 178.49 3kqe s LYS 147 N -6.13 2.91 0.12 1.92 1.02 -1.26 -4.94 119.74 113.38 3kqe s LYS 147 Ca -0.14 -1.38 -0.23 0.00 0.02 0.00 0.00 55.97 54.24 3kqe s LYS 147 Cb 0.26 -4.08 0.08 0.00 -0.52 0.00 0.00 37.83 33.57 3kqe s LYS 147 CO 0.77 -1.02 1.10 0.41 -0.92 0.00 0.00 175.35 175.68 3kqe n GLY 149 N 5.15 0.48 3.93 -3.33 0.00 -1.14 -5.00 105.19 105.28 3kqe n GLY 149 Ca -0.12 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.53 3kqe n GLY 149 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kqe s ARG 150 N -2.04 3.46 0.35 1.61 3.52 -1.26 -4.93 118.95 119.67 3kqe s ARG 150 Ca 0.25 -0.13 -0.28 0.00 -0.13 0.00 0.00 55.73 55.43 3kqe s ARG 150 Cb -0.02 -2.53 -0.11 0.00 -1.56 0.00 0.00 34.95 30.73 3kqe s ARG 150 CO 0.04 -0.04 1.44 -0.65 -0.81 0.00 0.00 175.30 175.28 3kqe s GLN 151 N -4.52 4.19 0.44 5.12 -1.52 -1.26 -4.02 119.66 118.10 3kqe s GLN 151 Ca 0.44 2.46 -0.23 0.00 -1.95 0.00 0.00 55.36 56.07 3kqe s GLN 151 Cb -0.10 -3.01 -0.08 0.00 -0.22 0.00 0.00 33.01 29.61 3kqe s GLN 151 CO 0.40 -0.44 1.15 0.45 -0.25 0.00 0.00 175.29 176.60 3kqe s SER 152 N -0.17 6.31 0.05 5.90 0.15 0.28 -4.92 113.70 121.30 3kqe s SER 152 Ca 0.53 2.28 0.24 0.00 0.70 0.00 0.00 55.95 59.69 3kqe s SER 152 Cb -0.44 -2.60 0.27 0.00 -1.71 0.00 0.00 66.02 61.53 3kqe s SER 152 CO 0.58 -0.82 1.23 0.35 1.20 0.00 0.00 173.24 175.78 3kqe n THR 153 N -0.34 0.15 -4.79 6.45 -2.24 -1.26 -4.76 114.28 107.49 3kqe n THR 153 Ca 0.06 -0.15 -0.33 0.00 -2.27 0.00 0.00 64.05 61.36 3kqe n THR 153 Cb 0.48 0.19 -0.13 0.00 -2.10 0.00 0.00 70.33 68.77 3kqe n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kqe s ARG 154 N -3.11 2.69 -0.08 -0.78 1.81 -1.26 0.71 118.95 118.93 3kqe s ARG 154 Ca 0.07 -0.65 -0.30 0.00 -1.72 0.00 0.00 55.73 53.14 3kqe s ARG 154 Cb 0.15 -2.48 -0.03 0.00 -0.45 0.00 0.00 34.95 32.15 3kqe s ARG 154 CO 0.75 0.58 1.19 -1.17 -0.68 0.00 0.00 175.30 175.98 3kqe s LEU 155 N -0.62 4.26 0.27 2.53 2.96 0.32 -4.60 118.68 123.80 3kqe s LEU 155 Ca 0.09 1.76 0.10 0.00 -0.22 0.00 0.00 54.13 55.86 3kqe s LEU 155 Cb -0.11 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 3kqe s LEU 155 CO 0.01 -0.60 -0.04 -0.54 -1.32 0.00 0.00 176.35 173.86 3kqe s LYS 156 N 2.42 2.20 0.10 1.98 1.02 -0.67 -0.54 119.74 126.25 3kqe s LYS 156 Ca 0.55 -1.46 0.02 0.00 0.02 0.00 0.00 55.97 55.10 3kqe s LYS 156 Cb -0.23 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 3kqe s LYS 156 CO 0.20 0.36 -0.07 0.00 -0.92 0.00 0.00 175.35 174.92 3kqe s MET 157 N -3.62 0.82 -0.22 1.68 0.23 0.11 -0.95 119.30 117.35 3kqe s MET 157 Ca 0.31 -1.27 -0.11 0.00 -1.03 0.00 0.00 55.69 53.59 3kqe s MET 157 Cb -0.06 -0.28 0.08 0.00 -1.53 0.00 0.00 34.83 33.04 3kqe s MET 157 CO 0.19 0.01 0.52 -1.17 -2.03 0.00 0.00 175.02 172.54 3kqe s LEU 158 N -2.86 -0.57 -0.11 0.18 2.96 0.29 -1.10 118.68 117.48 3kqe s LEU 158 Ca 0.10 1.17 -0.30 0.00 -0.22 0.00 0.00 54.13 54.88 3kqe s LEU 158 Cb 0.03 1.76 -0.01 0.00 0.50 0.00 0.00 46.19 48.47 3kqe s LEU 158 CO -0.03 -0.22 1.06 -0.70 -1.32 0.00 0.00 176.35 175.14 3kqe s GLU 159 N 1.87 4.39 -0.10 1.98 2.12 -1.26 -0.78 118.70 126.92 3kqe s GLU 159 Ca -0.08 1.46 0.02 0.00 0.36 0.00 0.00 54.97 56.74 3kqe s GLU 159 Cb -0.08 -3.56 0.01 0.00 0.26 0.00 0.00 34.13 30.76 3kqe s GLU 159 CO -0.16 -0.39 -0.15 0.14 -0.54 0.00 0.00 175.26 174.16 3kqe s VAL 160 N 2.21 1.47 0.53 3.70 -7.23 -0.13 -4.98 120.40 115.97 3kqe s VAL 160 Ca 0.50 -0.64 -0.22 0.00 -1.81 0.00 0.00 61.98 59.81 3kqe s VAL 160 Cb -0.20 -1.33 -0.05 0.00 0.56 0.00 0.00 36.38 35.36 3kqe s VAL 160 CO 0.18 0.43 1.27 -2.84 -0.31 0.00 0.00 175.10 173.83 3kqe s PRO 161 N 0.83 3.29 0.19 4.82 0.02 -1.26 -1.89 135.00 141.01 3kqe s PRO 161 Ca -0.10 2.02 -0.30 0.00 0.02 0.00 0.00 61.00 62.64 3kqe s PRO 161 Cb -0.15 -2.24 -0.08 0.00 0.02 0.00 0.00 34.50 32.04 3kqe s PRO 161 CO 0.01 -1.01 1.21 0.71 -0.33 0.00 0.00 177.00 177.59 3kqe s TYR 162 N -1.42 3.40 -0.13 6.54 2.02 0.10 -2.01 117.35 125.84 3kqe s TYR 162 Ca 0.70 1.40 -0.06 0.00 -0.37 0.00 0.00 57.07 58.75 3kqe s TYR 162 Cb -0.35 -3.45 -0.04 0.00 -0.40 0.00 0.00 41.96 37.72 3kqe s TYR 162 CO 0.41 -1.28 0.09 0.08 -1.57 0.00 0.00 175.55 173.27 3kqe s VAL 163 N -0.08 5.02 0.17 0.71 1.01 -0.94 -4.91 120.40 121.39 3kqe s VAL 163 Ca 0.53 0.03 -0.33 0.00 0.00 0.00 0.00 61.98 62.21 3kqe s VAL 163 Cb -0.33 -3.20 -0.14 0.00 0.00 0.00 0.00 36.38 32.71 3kqe s VAL 163 CO 0.37 0.56 1.54 -0.67 0.00 0.00 0.00 175.10 176.90 3kqe n ASP 164 N 2.54 2.98 -0.33 3.32 2.03 -1.26 -4.63 116.55 121.20 3kqe n ASP 164 Ca -0.18 1.10 0.13 0.00 0.52 0.00 0.00 54.79 56.35 3kqe n ASP 164 Cb 0.54 -1.42 0.35 0.00 -0.72 0.00 0.00 41.12 39.87 3kqe n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3kqe h ARG 165 N 5.55 0.70 -0.03 -0.67 2.43 -1.97 -1.14 114.38 119.25 3kqe h ARG 165 Ca -0.45 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 3kqe h ARG 165 Cb 1.26 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3kqe h ARG 165 CO 0.86 0.46 -0.02 -0.97 -1.51 0.00 0.00 179.97 178.79 3kqe h ASN 166 N 0.72 0.07 -0.98 -3.80 -0.73 -2.00 -2.69 115.58 106.18 3kqe h ASN 166 Ca 0.53 -0.44 0.07 0.00 1.87 0.00 0.00 56.30 58.33 3kqe h ASN 166 Cb 0.88 -0.02 -0.07 0.00 0.27 0.00 0.00 38.32 39.38 3kqe h ASN 166 CO -0.30 0.50 0.63 0.28 -0.37 0.00 0.00 177.43 178.17 3kqe h SER 167 N -0.35 1.01 0.18 1.15 0.02 -1.87 -1.58 113.55 112.11 3kqe h SER 167 Ca 0.01 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3kqe h SER 167 Cb 0.47 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3kqe h SER 167 CO 0.01 0.64 -0.20 0.00 -1.14 0.00 0.00 176.83 176.14 3kqe h LYS 169 N -0.42 0.72 -0.10 0.00 1.57 -1.12 -2.74 116.57 114.49 3kqe h LYS 169 Ca 0.01 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.48 3kqe h LYS 169 Cb 0.40 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3kqe h LYS 169 CO -0.06 0.79 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.22 3kqe h LEU 170 N 0.66 0.19 -1.04 2.94 3.38 -1.13 -3.01 115.31 117.30 3kqe h LEU 170 Ca 0.12 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3kqe h LEU 170 Cb 0.53 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3kqe h LEU 170 CO 0.03 0.51 -0.11 0.77 0.09 0.00 0.00 178.44 179.73 3kqe h SER 171 N 0.17 0.00 -2.97 -0.43 4.64 -0.91 -3.46 113.55 110.59 3kqe h SER 171 Ca 0.02 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.71 3kqe h SER 171 Cb 0.65 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.67 3kqe h SER 171 CO 0.05 0.11 -0.53 -0.55 -0.87 0.00 0.00 176.83 175.03 3kqe s SER 172 N -5.99 6.07 0.16 4.97 0.15 -1.14 -4.77 113.70 113.14 3kqe s SER 172 Ca 0.02 0.22 0.14 0.00 0.70 0.00 0.00 55.95 57.02 3kqe s SER 172 Cb 0.09 -1.82 -0.08 0.00 -1.71 0.00 0.00 66.02 62.50 3kqe s SER 172 CO 0.61 0.22 1.17 0.28 1.20 0.00 0.00 173.24 176.72 3kqe h SER 173 N 3.56 0.00 -2.05 5.45 0.02 -1.89 -3.47 113.55 115.16 3kqe h SER 173 Ca -0.47 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 59.99 3kqe h SER 173 Cb 1.17 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 3kqe h SER 173 CO 0.69 0.67 -0.47 -0.36 -1.14 0.00 0.00 176.83 176.22 3kqe s PHE 174 N -2.87 3.09 -0.03 3.45 0.08 -1.26 -5.08 117.98 115.36 3kqe s PHE 174 Ca 0.01 -0.17 -0.30 0.00 0.12 0.00 0.00 56.93 56.59 3kqe s PHE 174 Cb 0.08 -1.60 -0.04 0.00 -0.57 0.00 0.00 43.02 40.89 3kqe s PHE 174 CO 0.79 0.36 1.33 0.42 -0.10 0.00 0.00 175.22 178.01 3kqe s ILE 175 N -2.17 3.94 -0.56 0.64 1.09 -1.26 -4.99 121.20 117.88 3kqe s ILE 175 Ca 0.37 1.29 -0.19 0.00 -1.10 0.00 0.00 60.65 61.01 3kqe s ILE 175 Cb -0.08 -3.83 0.09 0.00 -1.06 0.00 0.00 42.46 37.59 3kqe s ILE 175 CO 0.27 -0.01 0.66 -0.63 -0.10 0.00 0.00 174.94 175.13 3kqe s ILE 176 N 2.45 4.87 1.00 2.92 -1.09 -1.26 -5.03 121.20 125.06 3kqe s ILE 176 Ca 0.61 -0.89 -0.15 0.00 -2.23 0.00 0.00 60.65 57.98 3kqe s ILE 176 Cb -0.28 -4.42 0.20 0.00 -1.58 0.00 0.00 42.46 36.37 3kqe s ILE 176 CO 0.24 -1.01 1.19 0.42 -1.23 0.00 0.00 174.94 174.55 3kqe s THR 177 N 2.58 1.89 -0.46 2.92 -4.23 -1.26 -4.94 115.64 112.14 3kqe s THR 177 Ca 0.12 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.87 3kqe s THR 177 Cb -0.23 -2.77 0.26 0.00 1.34 0.00 0.00 72.50 71.10 3kqe s THR 177 CO 0.07 0.00 1.74 1.56 -0.54 0.00 0.00 174.62 177.45 3kqe h GLN 178 N -1.83 0.00 -0.08 3.99 4.20 -2.02 -2.10 115.11 117.27 3kqe h GLN 178 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 3kqe h GLN 178 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 3kqe h GLN 178 CO 0.46 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.71 3kqe n ASN 179 N -2.30 1.29 -4.52 1.46 3.02 -1.26 -4.87 115.26 108.07 3kqe n ASN 179 Ca 0.02 -1.54 -0.25 0.00 -0.03 0.00 0.00 54.58 52.79 3kqe n ASN 179 Cb 0.25 -0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 39.28 3kqe n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3kqe s MET 180 N -1.91 1.80 0.07 3.52 -1.94 -0.79 0.64 119.30 120.70 3kqe s MET 180 Ca 0.35 -1.80 -0.13 0.00 -1.71 0.00 0.00 55.69 52.40 3kqe s MET 180 Cb 0.19 -1.79 0.02 0.00 2.01 0.00 0.00 34.83 35.26 3kqe s MET 180 CO 0.29 0.26 0.30 -0.59 -0.01 0.00 0.00 175.02 175.27 3kqe s PHE 181 N -2.53 -0.06 0.03 -0.03 -0.12 -0.44 -4.77 117.98 110.06 3kqe s PHE 181 Ca 0.31 -0.18 -0.01 0.00 -0.05 0.00 0.00 56.93 57.00 3kqe s PHE 181 Cb -0.02 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.42 3kqe s PHE 181 CO 0.16 -0.56 0.21 0.00 -0.05 0.00 0.00 175.22 174.98 3kqe s ALA 183 N -1.43 -1.29 0.00 0.00 0.00 -0.65 -2.20 121.76 116.18 3kqe s ALA 183 Ca 0.32 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.54 3kqe s ALA 183 Cb -0.13 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.42 3kqe s ALA 183 CO 0.24 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.14 3kqe n GLY 184 N 2.25 0.79 3.29 0.00 0.00 -0.85 -0.24 105.19 110.43 3kqe n GLY 184 Ca -0.16 -1.78 -0.26 0.00 0.00 0.00 0.00 46.02 43.82 3kqe n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqe s TYR 185 N -3.00 1.93 0.03 1.61 2.02 -1.26 -3.98 117.35 114.69 3kqe s TYR 185 Ca 0.00 -0.39 -0.07 0.00 -0.37 0.00 0.00 57.07 56.24 3kqe s TYR 185 Cb 0.00 -1.12 -0.30 0.00 -0.40 0.00 0.00 41.96 40.14 3kqe s TYR 185 CO 0.00 0.15 0.96 0.38 -1.57 0.00 0.00 175.55 175.47 3kqe h ASP 185 N 4.58 0.52 0.00 2.29 3.04 -1.92 -3.41 116.42 121.52 3kqe h ASP 185 Ca -0.45 -0.63 -0.19 0.00 -3.24 0.00 0.00 57.03 52.52 3kqe h ASP 185 Cb 1.16 -0.17 -0.03 0.00 -1.04 0.00 0.00 39.33 39.25 3kqe h ASP 185 CO 0.42 1.51 -1.64 0.35 -2.04 0.00 0.00 179.24 177.84 3kqe n THR 185 N -3.55 0.63 -1.68 1.15 -2.24 -1.26 0.65 114.28 107.97 3kqe n THR 185 Ca -0.15 -0.16 -0.47 0.00 -2.27 0.00 0.00 64.05 61.00 3kqe n THR 185 Cb 1.05 -1.63 -0.04 0.00 -2.10 0.00 0.00 70.33 67.61 3kqe n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3kqe n LYS 186 N -3.49 2.32 -1.79 -0.78 3.00 -1.26 -4.78 118.16 111.38 3kqe n LYS 186 Ca -0.22 0.85 -0.40 0.00 -0.00 0.00 0.00 58.31 58.53 3kqe n LYS 186 Cb 0.66 -2.71 -0.01 0.00 0.00 0.00 0.00 35.03 32.97 3kqe n LYS 186 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3kqe n GLN 187 N 6.67 3.88 -3.72 1.64 6.02 -1.26 -4.60 117.38 125.99 3kqe n GLN 187 Ca 0.22 -2.93 -0.15 0.00 -0.01 0.00 0.00 57.00 54.13 3kqe n GLN 187 Cb 0.32 -2.84 -0.15 0.00 1.02 0.00 0.00 30.24 28.59 3kqe n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3kqe s GLU 188 N 0.85 0.07 0.17 -1.09 2.02 -1.26 -4.59 118.70 114.87 3kqe s GLU 188 Ca 0.56 0.42 -0.23 0.00 0.02 0.00 0.00 54.97 55.74 3kqe s GLU 188 Cb 0.16 -0.22 0.08 0.00 0.10 0.00 0.00 34.13 34.25 3kqe s GLU 188 CO -0.07 -0.21 1.04 0.34 0.02 0.00 0.00 175.26 176.38 3kqe s ASP 189 N 1.51 -0.03 0.81 -0.19 3.68 -0.77 -4.55 116.67 117.13 3kqe s ASP 189 Ca -0.05 -0.61 -0.12 0.00 2.13 0.00 0.00 52.55 53.90 3kqe s ASP 189 Cb -0.12 0.48 0.08 0.00 -1.45 0.00 0.00 42.92 41.91 3kqe s ASP 189 CO -0.06 -0.95 1.10 0.00 0.13 0.00 0.00 175.17 175.39 3kqe s ALA 190 N -2.37 2.18 0.35 3.66 0.00 -1.26 0.54 121.76 124.84 3kqe s ALA 190 Ca 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 3kqe s ALA 190 Cb -0.02 -3.11 -0.00 0.00 0.00 0.00 0.00 23.12 19.99 3kqe s ALA 190 CO 0.04 -1.80 0.46 0.00 0.00 0.00 0.00 175.76 174.46 3kqe n GLN 192 N -0.59 1.54 0.00 0.00 7.27 -1.26 -1.21 117.38 123.14 3kqe n GLN 192 Ca 0.02 0.56 0.00 0.00 0.07 0.00 0.00 57.00 57.65 3kqe n GLN 192 Cb 0.62 -2.26 0.00 0.00 2.41 0.00 0.00 30.24 31.01 3kqe n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kqe n GLY 193 N 3.07 3.25 0.07 1.69 0.00 -1.26 -1.28 105.19 110.74 3kqe n GLY 193 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 3kqe n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kqe n ASP 194 N 0.00 0.60 -4.58 1.61 8.00 -0.35 -3.61 116.55 118.22 3kqe n ASP 194 Ca 0.00 0.50 -0.45 0.00 0.71 0.00 0.00 54.79 55.55 3kqe n ASP 194 Cb 0.00 -0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 40.46 3kqe n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3kqe n SER 195 N -2.05 1.27 0.00 -2.24 7.64 -1.26 -1.30 113.62 115.68 3kqe n SER 195 Ca 0.06 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.11 3kqe n SER 195 Cb 0.41 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 3kqe n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kqe n GLY 196 N 1.37 2.57 3.78 0.23 0.00 0.28 0.56 105.19 113.98 3kqe n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3kqe n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kqe s GLY 197 N -2.00 1.67 0.33 -0.02 0.00 -0.42 -2.67 107.32 104.22 3kqe s GLY 197 Ca 0.00 -1.01 -0.25 0.00 0.00 0.00 0.00 44.72 43.46 3kqe s GLY 197 CO 0.00 -0.22 0.93 -4.14 0.00 0.00 0.00 173.10 169.67 3kqe s PRO 198 N -5.62 4.51 -0.22 2.90 0.02 -1.26 -2.32 135.00 133.01 3kqe s PRO 198 Ca 0.71 1.27 0.00 0.00 0.02 0.00 0.00 61.00 63.01 3kqe s PRO 198 Cb -0.08 -2.71 0.06 0.00 0.02 0.00 0.00 34.50 31.79 3kqe s PRO 198 CO 0.54 0.24 -0.05 -1.58 -0.33 0.00 0.00 177.00 175.82 3kqe s HIS 199 N -1.70 2.23 0.10 6.54 2.46 -0.81 -2.59 115.29 121.53 3kqe s HIS 199 Ca 0.52 -1.61 0.09 0.00 0.47 0.00 0.00 55.06 54.53 3kqe s HIS 199 Cb -0.17 -1.52 -0.04 0.00 -0.13 0.00 0.00 32.58 30.72 3kqe s HIS 199 CO 0.22 -0.74 -0.22 0.14 -2.47 0.00 0.00 174.74 171.67 3kqe s VAL 200 N 1.45 2.58 -0.13 0.89 -7.23 -0.38 -0.20 120.40 117.40 3kqe s VAL 200 Ca -0.04 -1.50 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 3kqe s VAL 200 Cb -0.18 -2.13 0.01 0.00 0.56 0.00 0.00 36.38 34.64 3kqe s VAL 200 CO -0.07 0.18 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.83 3kqe s THR 201 N -1.04 1.75 0.04 5.32 2.01 -0.19 0.25 115.64 123.78 3kqe s THR 201 Ca 0.15 -0.79 -0.28 0.00 0.31 0.00 0.00 61.69 61.09 3kqe s THR 201 Cb -0.10 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 3kqe s THR 201 CO 0.07 0.49 0.90 -0.60 -0.69 0.00 0.00 174.62 174.79 3kqe s ARG 202 N 0.97 4.58 -0.11 4.92 3.52 -1.26 -1.41 118.95 130.16 3kqe s ARG 202 Ca -0.05 1.30 -0.02 0.00 -0.13 0.00 0.00 55.73 56.82 3kqe s ARG 202 Cb -0.15 -3.41 0.04 0.00 -1.56 0.00 0.00 34.95 29.87 3kqe s ARG 202 CO -0.03 0.11 0.01 0.12 -0.81 0.00 0.00 175.30 174.70 3kqe s PHE 203 N 0.45 0.82 -1.44 5.12 5.36 0.37 -4.90 117.98 123.75 3kqe s PHE 203 Ca 0.46 -0.41 -0.01 0.00 -0.96 0.00 0.00 56.93 56.01 3kqe s PHE 203 Cb -0.21 -0.90 0.00 0.00 -0.34 0.00 0.00 43.02 41.57 3kqe s PHE 203 CO 0.26 -0.43 0.30 1.63 -1.46 0.00 0.00 175.22 175.53 3kqe n LYS 204 N 5.11 -2.57 -0.99 10.12 5.02 -1.26 -1.20 118.16 132.38 3kqe n LYS 204 Ca -0.08 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 3kqe n LYS 204 Cb 0.49 -4.24 0.00 0.00 -0.02 0.00 0.00 35.03 31.27 3kqe n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3kqe n ASP 205 N -2.95 -3.82 -4.20 4.39 8.00 -1.26 -5.01 116.55 111.70 3kqe n ASP 205 Ca -0.31 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 54.86 3kqe n ASP 205 Cb 0.69 -1.55 -0.16 0.00 -0.02 0.00 0.00 41.12 40.08 3kqe n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kqe s THR 206 N -1.72 2.21 -0.32 -3.53 2.01 -0.34 -5.10 115.64 108.85 3kqe s THR 206 Ca 0.00 -0.94 -0.17 0.00 0.31 0.00 0.00 61.69 60.90 3kqe s THR 206 Cb 0.00 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 3kqe s THR 206 CO 0.00 0.54 0.46 -0.31 -0.69 0.00 0.00 174.62 174.63 3kqe s TYR 207 N 0.74 3.21 -0.10 4.92 1.51 -1.26 -0.48 117.35 125.89 3kqe s TYR 207 Ca -0.08 0.28 -0.02 0.00 -1.01 0.00 0.00 57.07 56.24 3kqe s TYR 207 Cb -0.16 -2.78 -0.03 0.00 -0.11 0.00 0.00 41.96 38.88 3kqe s TYR 207 CO 0.00 -0.41 -0.02 -0.06 -1.11 0.00 0.00 175.55 173.95 3kqe s PHE 208 N 2.26 3.08 -0.15 2.71 0.40 -0.50 -2.38 117.98 123.39 3kqe s PHE 208 Ca 0.17 0.05 -0.29 0.00 -0.60 0.00 0.00 56.93 56.26 3kqe s PHE 208 Cb -0.16 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.54 3kqe s PHE 208 CO 0.12 0.33 1.41 0.54 0.70 0.00 0.00 175.22 178.31 3kqe s VAL 209 N -0.58 4.02 -0.03 -0.44 0.11 0.38 -1.02 120.40 122.84 3kqe s VAL 209 Ca 0.09 1.22 0.07 0.00 -2.93 0.00 0.00 61.98 60.43 3kqe s VAL 209 Cb -0.12 -3.83 -0.10 0.00 -1.53 0.00 0.00 36.38 30.80 3kqe s VAL 209 CO 0.02 -0.16 0.11 0.35 -3.33 0.00 0.00 175.10 172.09 3kqe n THR 210 N 5.57 0.14 -3.87 5.04 -2.24 0.73 -4.59 114.28 115.06 3kqe n THR 210 Ca 0.15 -0.20 -0.09 0.00 -2.27 0.00 0.00 64.05 61.64 3kqe n THR 210 Cb 0.44 -0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.58 3kqe n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3kqe s GLY 211 N -3.13 0.24 -0.17 3.38 0.00 -0.28 -2.54 107.32 104.81 3kqe s GLY 211 Ca -0.03 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.11 3kqe s GLY 211 CO 0.28 -0.54 -0.18 -0.42 0.00 0.00 0.00 173.10 172.23 3kqe s ILE 212 N -3.93 1.93 -0.17 0.90 1.01 -1.01 -1.91 121.20 118.00 3kqe s ILE 212 Ca 0.14 -0.86 -0.36 0.00 0.00 0.00 0.00 60.65 59.58 3kqe s ILE 212 Cb 0.01 -1.76 -0.13 0.00 0.01 0.00 0.00 42.46 40.59 3kqe s ILE 212 CO 0.00 0.52 1.87 0.52 0.00 0.00 0.00 174.94 177.85 3kqe n VAL 213 N 4.65 0.47 -0.02 2.92 0.31 -0.98 -1.18 118.33 124.50 3kqe n VAL 213 Ca -0.20 -0.11 -0.02 0.00 -0.01 0.00 0.00 64.34 64.00 3kqe n VAL 213 Cb 0.50 -1.67 -0.01 0.00 -0.91 0.00 0.00 33.84 31.75 3kqe n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3kqe n SER 214 N 6.60 0.60 -3.05 4.52 2.88 0.07 -0.55 113.62 124.67 3kqe n SER 214 Ca 0.25 0.10 -0.09 0.00 -1.33 0.00 0.00 58.87 57.80 3kqe n SER 214 Cb 0.24 -0.43 0.02 0.00 -0.75 0.00 0.00 64.21 63.28 3kqe n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3kqe s TRP 215 N -1.58 0.11 -0.11 0.66 1.48 -0.79 -4.85 118.94 113.85 3kqe s TRP 215 Ca -0.07 -0.75 -0.31 0.00 -1.06 0.00 0.00 56.10 53.91 3kqe s TRP 215 Cb 0.01 0.80 0.12 0.00 -1.16 0.00 0.00 33.47 33.24 3kqe s TRP 215 CO 0.10 -1.52 1.05 0.20 -4.06 0.00 0.00 176.95 172.73 3kqe s GLY 216 N -3.06 -0.34 -0.91 3.67 0.00 -1.26 -0.58 107.32 104.85 3kqe s GLY 216 Ca 0.15 1.49 -0.21 0.00 0.00 0.00 0.00 44.72 46.15 3kqe s GLY 216 CO 0.11 0.56 1.20 -0.54 0.00 0.00 0.00 173.10 174.43 3kqe s GLU 217 N -2.43 3.51 2.61 2.90 2.02 -1.26 -4.85 118.70 121.19 3kqe s GLU 217 Ca 0.06 -1.38 0.00 0.00 0.02 0.00 0.00 54.97 53.66 3kqe s GLU 217 Cb -0.01 -4.92 0.00 0.00 0.10 0.00 0.00 34.13 29.30 3kqe s GLU 217 CO -0.06 -1.92 0.00 0.41 0.02 0.00 0.00 175.26 173.71 3kqe n GLY 218 N 5.87 0.02 3.01 -1.39 0.00 -1.26 -4.68 105.19 106.76 3kqe n GLY 218 Ca 0.22 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 3kqe n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqe n ALA 221 N 3.25 -0.08 -1.85 0.00 0.00 -1.26 -4.67 120.51 115.90 3kqe n ALA 221 Ca -0.18 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 52.94 3kqe n ALA 221 Cb 0.54 -1.56 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 3kqe n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kqe s ARG 222 N -2.38 4.27 0.30 0.00 0.52 -1.26 -4.44 118.95 115.96 3kqe s ARG 222 Ca 0.00 2.31 -0.30 0.00 -0.52 0.00 0.00 55.73 57.22 3kqe s ARG 222 Cb 0.00 -3.09 -0.12 0.00 0.52 0.00 0.00 34.95 32.26 3kqe s ARG 222 CO 0.00 -0.39 1.52 1.63 0.02 0.00 0.00 175.30 178.08 3kqe n LYS 223 N 1.94 2.52 -0.93 3.54 4.01 -1.26 -2.03 118.16 125.95 3kqe n LYS 223 Ca 0.05 0.89 0.00 0.00 -0.51 0.00 0.00 58.31 58.74 3kqe n LYS 223 Cb 0.40 -2.63 0.00 0.00 -0.51 0.00 0.00 35.03 32.30 3kqe n LYS 223 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kqe n GLY 223 N 1.84 0.65 3.52 0.72 0.00 0.21 -5.01 105.19 107.12 3kqe n GLY 223 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 3kqe n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqe s LYS 224 N -0.28 1.77 0.27 1.61 -0.14 -0.86 -4.70 119.74 117.41 3kqe s LYS 224 Ca 0.00 -1.88 0.02 0.00 -1.36 0.00 0.00 55.97 52.74 3kqe s LYS 224 Cb 0.00 -1.73 -0.04 0.00 -1.68 0.00 0.00 37.83 34.38 3kqe s LYS 224 CO 0.00 0.20 0.14 0.71 -0.76 0.00 0.00 175.35 175.64 3kqe s TYR 225 N -2.58 1.48 0.13 3.18 2.02 -1.26 -4.54 117.35 115.79 3kqe s TYR 225 Ca 0.32 -1.34 -0.28 0.00 -0.37 0.00 0.00 57.07 55.39 3kqe s TYR 225 Cb 0.00 -0.78 -0.07 0.00 -0.40 0.00 0.00 41.96 40.71 3kqe s TYR 225 CO 0.16 -0.53 0.89 0.20 -1.57 0.00 0.00 175.55 174.70 3kqe s GLY 226 N -3.30 2.97 -0.18 0.71 0.00 0.67 -4.52 107.32 103.67 3kqe s GLY 226 Ca 0.37 0.49 -0.07 0.00 0.00 0.00 0.00 44.72 45.52 3kqe s GLY 226 CO 0.16 1.23 0.04 -0.42 0.00 0.00 0.00 173.10 174.11 3kqe s ILE 227 N -0.45 4.55 0.13 0.90 -1.09 0.26 -1.64 121.20 123.84 3kqe s ILE 227 Ca 0.42 -0.12 0.10 0.00 -2.23 0.00 0.00 60.65 58.82 3kqe s ILE 227 Cb -0.23 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.57 3kqe s ILE 227 CO 0.28 0.46 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.90 3kqe s TYR 228 N 0.48 2.07 -0.04 3.97 1.51 -0.02 -0.75 117.35 124.56 3kqe s TYR 228 Ca 0.02 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.38 3kqe s TYR 228 Cb -0.13 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 3kqe s TYR 228 CO 0.01 0.30 1.05 0.99 -1.11 0.00 0.00 175.55 176.79 3kqe s THR 229 N -1.20 4.63 -0.60 -0.71 2.01 -0.33 -1.33 115.64 118.11 3kqe s THR 229 Ca 0.11 1.90 -0.27 0.00 0.31 0.00 0.00 61.69 63.74 3kqe s THR 229 Cb -0.10 -4.22 -0.00 0.00 0.01 0.00 0.00 72.50 68.19 3kqe s THR 229 CO 0.06 0.07 1.61 -0.75 -0.69 0.00 0.00 174.62 174.91 3kqe s LYS 230 N 1.60 2.99 0.39 4.92 2.20 0.21 -2.41 119.74 129.65 3kqe s LYS 230 Ca 0.52 0.46 0.12 0.00 -0.36 0.00 0.00 55.97 56.71 3kqe s LYS 230 Cb -0.22 -4.25 0.93 0.00 -1.51 0.00 0.00 37.83 32.78 3kqe s LYS 230 CO 0.23 -2.32 1.91 0.28 -0.36 0.00 0.00 175.35 175.10 3kqe h VAL 231 N 6.56 0.84 -0.58 4.02 2.07 -1.80 -2.55 116.25 124.81 3kqe h VAL 231 Ca -0.27 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.11 3kqe h VAL 231 Cb 1.12 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3kqe h VAL 231 CO 1.20 0.10 0.39 0.71 0.02 0.00 0.00 177.57 179.99 3kqe h THR 232 N 0.55 1.01 0.00 2.57 1.35 -1.90 -2.01 112.91 114.49 3kqe h THR 232 Ca 0.38 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 3kqe h THR 232 Cb 0.71 0.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 3kqe h THR 232 CO -0.14 0.11 0.00 0.00 -0.25 0.00 0.00 175.52 175.23 3kqe n ALA 233 N -2.48 1.73 -1.07 6.62 0.00 -0.96 -3.56 120.51 120.80 3kqe n ALA 233 Ca 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.47 3kqe n ALA 233 Cb 0.21 -1.22 0.02 0.00 0.00 0.00 0.00 19.45 18.46 3kqe n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kqe n PHE 234 N -1.37 0.00 -0.37 0.00 3.72 -0.76 -4.89 117.46 113.78 3kqe n PHE 234 Ca 0.05 -0.25 0.03 0.00 -0.05 0.00 0.00 57.45 57.23 3kqe n PHE 234 Cb 0.13 -0.05 0.18 0.00 -0.94 0.00 0.00 39.48 38.80 3kqe n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3kqe h LEU 235 N 0.00 1.03 -0.16 4.37 3.38 -1.59 0.52 115.31 122.86 3kqe h LEU 235 Ca 0.00 0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 3kqe h LEU 235 Cb 1.00 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.56 3kqe h LEU 235 CO 0.00 0.65 -0.80 0.11 0.09 0.00 0.00 178.44 178.49 3kqe h LYS 236 N 1.16 0.77 -0.30 1.13 1.57 -1.90 0.26 116.57 119.26 3kqe h LYS 236 Ca 0.44 -0.64 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3kqe h LYS 236 Cb 0.19 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3kqe h LYS 236 CO -0.18 1.25 0.17 2.35 -0.57 0.00 0.00 179.45 182.47 3kqe h TRP 237 N 0.52 0.40 0.00 -1.35 7.01 -1.80 0.11 115.95 120.84 3kqe h TRP 237 Ca -0.06 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 60.94 3kqe h TRP 237 Cb 1.43 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 28.35 3kqe h TRP 237 CO 0.09 0.32 -0.04 0.82 -2.79 0.00 0.00 178.44 176.83 3kqe h ILE 238 N 0.37 0.90 -0.41 2.65 2.04 0.13 -0.62 117.51 122.58 3kqe h ILE 238 Ca 0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.01 3kqe h ILE 238 Cb 0.04 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3kqe h ILE 238 CO -0.02 0.00 0.17 -0.78 0.00 0.00 0.00 178.15 177.53 3kqe h ASP 239 N -0.07 0.23 -0.87 1.72 1.82 -0.24 -2.30 116.42 116.71 3kqe h ASP 239 Ca 0.02 0.03 0.03 0.00 -0.39 0.00 0.00 57.03 56.71 3kqe h ASP 239 Cb 0.09 -0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.05 3kqe h ASP 239 CO -0.04 0.17 0.57 0.03 -1.61 0.00 0.00 179.24 178.36 3kqe h ARG 240 N 0.36 1.08 -0.23 0.28 3.08 -0.58 -2.52 114.38 115.86 3kqe h ARG 240 Ca 0.18 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 3kqe h ARG 240 Cb 0.13 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3kqe h ARG 240 CO -0.15 0.72 -0.05 0.77 -1.07 0.00 0.00 179.97 180.18 3kqe h SER 241 N 1.11 0.32 0.23 7.04 0.02 -0.58 -2.66 113.55 119.04 3kqe h SER 241 Ca 0.34 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3kqe h SER 241 Cb -0.03 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3kqe h SER 241 CO -0.10 0.43 0.00 0.23 -1.14 0.00 0.00 176.83 176.24 3kqe n MET 242 N -4.30 0.72 0.00 3.45 2.81 -0.94 -2.49 117.12 116.38 3kqe n MET 242 Ca 0.00 0.01 0.10 0.00 -1.81 0.00 0.00 57.70 56.00 3kqe n MET 242 Cb 0.24 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.17 3kqe n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3kqe n LYS 243 N -1.12 0.14 0.00 0.03 5.02 -1.00 -5.11 118.16 116.12 3kqe n LYS 243 Ca 0.19 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 3kqe n LYS 243 Cb 0.16 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3kqe n LYS 243 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13