#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qie h GLU 5 N 0.00 0.00 -0.01 -1.46 4.81 -2.03 -2.24 114.58 113.65 1qie h GLU 5 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qie h GLU 5 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1qie h GLU 5 CO 0.00 0.15 -0.02 1.28 -0.73 0.00 0.00 179.01 179.69 1qie n LEU 6 N -4.09 1.40 -4.48 1.64 4.77 -1.26 -4.81 117.00 110.17 1qie n LEU 6 Ca -0.02 -0.46 -0.35 0.00 -0.03 0.00 0.00 56.01 55.14 1qie n LEU 6 Cb 0.23 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.19 1qie n LEU 6 CO 0.34 0.23 -0.30 -0.22 -1.33 0.00 0.00 177.39 176.11 1qie s LEU 7 N -2.03 3.40 -0.05 2.23 2.96 -0.84 0.06 118.68 124.41 1qie s LEU 7 Ca 0.38 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1qie s LEU 7 Cb 0.21 -1.88 0.01 0.00 0.50 0.00 0.00 46.19 45.03 1qie s LEU 7 CO 0.35 0.05 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.65 1qie s VAL 8 N 1.10 0.83 -0.40 1.68 1.01 -0.47 -4.77 120.40 119.37 1qie s VAL 8 Ca 0.03 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 1qie s VAL 8 Cb -0.14 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.48 1qie s VAL 8 CO 0.02 0.28 0.29 0.21 0.00 0.00 0.00 175.10 175.90 1qie s ASN 9 N 0.60 6.10 0.55 3.32 2.47 -1.26 -0.10 114.94 126.62 1qie s ASN 9 Ca -0.10 -0.83 0.08 0.00 0.42 0.00 0.00 52.86 52.42 1qie s ASN 9 Cb -0.13 -2.16 0.06 0.00 -1.45 0.00 0.00 41.25 37.57 1qie s ASN 9 CO 0.02 -0.42 0.59 0.42 -3.72 0.00 0.00 177.10 173.99 1qie s THR 10 N 1.69 1.95 -0.61 -5.21 -4.23 -0.31 -4.92 115.64 104.00 1qie s THR 10 Ca 0.05 -1.24 0.22 0.00 -1.18 0.00 0.00 61.69 59.55 1qie s THR 10 Cb -0.19 -2.19 0.23 0.00 1.34 0.00 0.00 72.50 71.69 1qie s THR 10 CO 0.10 0.00 1.68 0.29 -0.54 0.00 0.00 174.62 176.15 1qie n LYS 11 N -1.99 0.16 0.00 3.99 5.02 -1.26 -2.27 118.16 121.82 1qie n LYS 11 Ca 0.07 0.36 0.11 0.00 -2.02 0.00 0.00 58.31 56.83 1qie n LYS 11 Cb 0.63 -1.79 -0.09 0.00 -0.02 0.00 0.00 35.03 33.75 1qie n LYS 11 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1qie n SER 12 N -2.10 0.68 0.00 4.39 7.64 -1.26 -4.90 113.62 118.07 1qie n SER 12 Ca 0.03 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.30 1qie n SER 12 Cb 0.24 1.17 0.00 0.00 -1.01 0.00 0.00 64.21 64.62 1qie n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qie n GLY 13 N 1.42 0.81 3.81 0.23 0.00 -0.96 -0.78 105.19 109.72 1qie n GLY 13 Ca 0.02 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 1qie n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qie s LYS 14 N -1.15 4.28 -0.00 1.61 1.02 -1.25 -1.16 119.74 123.09 1qie s LYS 14 Ca 0.00 0.98 0.04 0.00 0.02 0.00 0.00 55.97 57.01 1qie s LYS 14 Cb 0.00 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 34.63 1qie s LYS 14 CO 0.00 0.26 -0.13 0.08 -0.92 0.00 0.00 175.35 174.64 1qie s VAL 15 N -1.73 0.99 -0.29 3.17 1.01 0.86 -0.33 120.40 124.08 1qie s VAL 15 Ca 0.50 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1qie s VAL 15 Cb -0.15 -0.84 0.04 0.00 0.00 0.00 0.00 36.38 35.43 1qie s VAL 15 CO 0.20 0.23 -0.00 -0.32 0.00 0.00 0.00 175.10 175.21 1qie s MET 16 N -0.42 2.61 0.00 2.72 1.75 0.18 -1.37 119.30 124.76 1qie s MET 16 Ca 0.04 -1.15 0.00 0.00 -1.25 0.00 0.00 55.69 53.34 1qie s MET 16 Cb -0.05 -3.17 0.00 0.00 2.84 0.00 0.00 34.83 34.45 1qie s MET 16 CO -0.00 -0.55 0.00 0.41 -0.65 0.00 0.00 175.02 174.23 1qie n GLY 17 N 4.67 0.24 3.13 2.11 0.00 0.11 -0.00 105.19 115.44 1qie n GLY 17 Ca -0.14 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 1qie n GLY 17 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qie s THR 18 N 0.43 0.09 -0.05 2.61 -1.32 -0.04 -4.71 115.64 112.65 1qie s THR 18 Ca 0.00 -0.73 -0.20 0.00 -1.21 0.00 0.00 61.69 59.55 1qie s THR 18 Cb 0.00 -0.55 -0.05 0.00 -1.51 0.00 0.00 72.50 70.39 1qie s THR 18 CO 0.00 -0.40 0.56 -0.60 -2.21 0.00 0.00 174.62 171.97 1qie s ARG 19 N -1.63 4.31 -0.02 7.08 3.52 -1.26 -0.90 118.95 130.04 1qie s ARG 19 Ca -0.13 0.64 0.05 0.00 -0.13 0.00 0.00 55.73 56.16 1qie s ARG 19 Cb -0.06 -3.38 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 1qie s ARG 19 CO 0.01 0.28 -0.16 0.14 -0.81 0.00 0.00 175.30 174.76 1qie s VAL 20 N 0.15 1.26 0.37 7.11 -7.23 -0.41 -4.97 120.40 116.68 1qie s VAL 20 Ca 0.30 -0.67 -0.26 0.00 -1.81 0.00 0.00 61.98 59.54 1qie s VAL 20 Cb -0.17 -1.06 -0.09 0.00 0.56 0.00 0.00 36.38 35.62 1qie s VAL 20 CO 0.15 0.36 1.10 -2.16 -0.31 0.00 0.00 175.10 174.23 1qie s PRO 21 N -0.29 4.27 -0.25 4.82 0.04 -1.26 -2.08 135.00 140.26 1qie s PRO 21 Ca 0.04 1.69 -0.06 0.00 0.04 0.00 0.00 61.00 62.71 1qie s PRO 21 Cb -0.07 -2.76 0.12 0.00 0.04 0.00 0.00 34.50 31.83 1qie s PRO 21 CO -0.00 -0.09 0.49 0.54 0.04 0.00 0.00 177.00 177.97 1qie s VAL 22 N -1.45 -0.77 -1.43 -0.36 0.11 0.08 -4.94 120.40 111.64 1qie s VAL 22 Ca 0.54 0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.62 1qie s VAL 22 Cb -0.27 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 1qie s VAL 22 CO 0.34 0.00 0.32 0.18 -3.33 0.00 0.00 175.10 172.62 1qie n LEU 23 N 5.40 -1.81 -0.75 2.54 4.77 -1.26 -0.50 117.00 125.39 1qie n LEU 23 Ca -0.07 -1.10 -0.10 0.00 -0.03 0.00 0.00 56.01 54.71 1qie n LEU 23 Cb 0.50 -2.02 -0.04 0.00 -2.33 0.00 0.00 43.42 39.52 1qie n LEU 23 CO 0.01 0.46 -0.09 -1.54 -1.33 0.00 0.00 177.39 174.90 1qie n SER 24 N -2.91 -4.80 -0.40 -1.43 3.41 -1.26 -4.96 113.62 101.27 1qie n SER 24 Ca -0.30 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1qie n SER 24 Cb 0.68 -3.16 0.00 0.00 -0.26 0.00 0.00 64.21 61.47 1qie n SER 24 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1qie n SER 25 N -0.40 0.61 -3.80 4.04 2.88 0.34 -5.17 113.62 112.13 1qie n SER 25 Ca -0.10 -0.31 -0.09 0.00 -1.33 0.00 0.00 58.87 57.04 1qie n SER 25 Cb 0.42 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.82 1qie n SER 25 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1qie s HIS 26 N -0.79 0.04 0.27 0.66 3.76 -1.26 -0.75 115.29 117.24 1qie s HIS 26 Ca 0.00 -0.41 -0.10 0.00 -0.15 0.00 0.00 55.06 54.41 1qie s HIS 26 Cb 0.00 0.03 -0.00 0.00 1.11 0.00 0.00 32.58 33.71 1qie s HIS 26 CO 0.00 -0.57 0.47 0.96 -0.85 0.00 0.00 174.74 174.75 1qie s ILE 27 N -3.63 0.00 0.13 0.60 -4.36 -0.88 -4.43 121.20 108.64 1qie s ILE 27 Ca 0.03 -1.48 -0.06 0.00 -0.26 0.00 0.00 60.65 58.89 1qie s ILE 27 Cb 0.03 -2.37 -0.06 0.00 1.25 0.00 0.00 42.46 41.32 1qie s ILE 27 CO -0.10 0.00 0.38 -0.44 0.24 0.00 0.00 174.94 175.02 1qie s SER 28 N -3.08 6.52 -0.03 4.36 0.01 0.18 -1.29 113.70 120.37 1qie s SER 28 Ca 0.25 0.63 0.01 0.00 1.31 0.00 0.00 55.95 58.16 1qie s SER 28 Cb -0.00 -2.11 0.02 0.00 0.21 0.00 0.00 66.02 64.13 1qie s SER 28 CO 0.12 0.07 -0.03 0.00 0.41 0.00 0.00 173.24 173.81 1qie s ALA 29 N -1.61 0.48 -0.33 1.44 0.00 -0.08 -0.89 121.76 120.76 1qie s ALA 29 Ca 0.40 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.36 1qie s ALA 29 Cb -0.12 -0.29 0.10 0.00 0.00 0.00 0.00 23.12 22.81 1qie s ALA 29 CO 0.23 0.01 0.06 -0.06 0.00 0.00 0.00 175.76 176.00 1qie s PHE 30 N 0.62 3.28 -0.02 0.00 0.40 0.12 -0.86 117.98 121.53 1qie s PHE 30 Ca -0.07 -2.70 -0.02 0.00 -0.60 0.00 0.00 56.93 53.54 1qie s PHE 30 Cb -0.10 -2.63 -0.04 0.00 0.51 0.00 0.00 43.02 40.76 1qie s PHE 30 CO -0.00 -0.93 0.12 -0.51 0.70 0.00 0.00 175.22 174.59 1qie s LEU 31 N 1.07 4.08 -0.91 -0.37 1.43 0.72 -0.32 118.68 124.39 1qie s LEU 31 Ca 0.10 0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 53.38 1qie s LEU 31 Cb -0.19 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 43.68 1qie s LEU 31 CO -0.12 0.28 0.79 0.61 0.23 0.00 0.00 176.35 178.15 1qie n GLY 32 N 1.18 -0.06 3.67 -3.19 0.00 -1.12 -4.00 105.19 101.66 1qie n GLY 32 Ca -0.13 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1qie n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qie s ILE 33 N -3.22 4.81 0.20 -0.61 1.01 -0.20 -4.79 121.20 118.40 1qie s ILE 33 Ca 0.37 1.83 -0.30 0.00 0.00 0.00 0.00 60.65 62.55 1qie s ILE 33 Cb -0.16 -4.22 -0.08 0.00 0.01 0.00 0.00 42.46 38.00 1qie s ILE 33 CO 0.49 -0.03 1.14 -2.16 0.00 0.00 0.00 174.94 174.38 1qie s PRO 34 N 2.39 4.56 0.00 2.79 0.04 -1.26 -0.38 135.00 143.14 1qie s PRO 34 Ca 0.42 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1qie s PRO 34 Cb -0.17 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1qie s PRO 34 CO 0.12 0.04 0.45 1.97 0.04 0.00 0.00 177.00 179.62 1qie n PHE 35 N 2.18 0.00 -3.77 0.56 1.16 -1.11 -4.89 117.46 111.60 1qie n PHE 35 Ca 0.03 -0.01 -0.10 0.00 -1.87 0.00 0.00 57.45 55.50 1qie n PHE 35 Cb 0.45 -0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.26 1qie n PHE 35 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1qie s ALA 36 N -0.02 -0.55 0.35 1.98 0.00 -1.25 -3.49 121.76 118.79 1qie s ALA 36 Ca 0.00 -0.39 -0.27 0.00 0.00 0.00 0.00 51.96 51.30 1qie s ALA 36 Cb 0.00 0.67 -0.09 0.00 0.00 0.00 0.00 23.12 23.70 1qie s ALA 36 CO 0.00 -0.62 1.09 -1.21 0.00 0.00 0.00 175.76 175.02 1qie s GLU 37 N -3.86 4.36 -0.12 0.00 0.41 0.49 -4.44 118.70 115.55 1qie s GLU 37 Ca 0.06 1.68 -0.33 0.00 -0.41 0.00 0.00 54.97 55.97 1qie s GLU 37 Cb 0.03 -2.84 -0.11 0.00 -1.78 0.00 0.00 34.13 29.43 1qie s GLU 37 CO -0.09 -0.01 1.96 -2.30 -0.49 0.00 0.00 175.26 174.33 1qie n PRO 38 N 0.50 2.10 -1.21 0.39 -0.02 -1.26 -4.66 135.00 130.83 1qie n PRO 38 Ca 0.02 0.74 -0.36 0.00 -2.02 0.00 0.00 63.50 61.89 1qie n PRO 38 Cb 0.47 -2.71 -0.02 0.00 -0.02 0.00 0.00 33.50 31.21 1qie n PRO 38 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1qie n PRO 39 N 7.10 2.61 -4.24 0.52 -0.04 -1.26 -4.90 135.00 134.79 1qie n PRO 39 Ca 0.25 -2.01 -0.24 0.00 -0.04 0.00 0.00 63.50 61.46 1qie n PRO 39 Cb 0.31 -2.84 -0.07 0.00 -0.04 0.00 0.00 33.50 30.86 1qie n PRO 39 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1qie s VAL 40 N 3.33 2.93 0.00 0.52 -7.23 -1.26 -3.76 120.40 114.93 1qie s VAL 40 Ca 0.53 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1qie s VAL 40 Cb 0.14 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 34.21 1qie s VAL 40 CO -0.02 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.15 1qie n GLY 41 N -1.02 3.77 0.14 2.32 0.00 -1.26 -1.12 105.19 108.03 1qie n GLY 41 Ca -0.04 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1qie n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qie n ASN 42 N 6.82 0.57 -0.00 1.61 4.13 -1.26 -1.63 115.26 125.49 1qie n ASN 42 Ca 0.00 0.72 0.13 0.00 1.68 0.00 0.00 54.58 57.11 1qie n ASN 42 Cb 0.00 -0.81 0.47 0.00 -1.54 0.00 0.00 39.78 37.90 1qie n ASN 42 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1qie n MET 43 N -2.21 0.03 -1.77 3.52 2.81 -0.27 -4.80 117.12 114.42 1qie n MET 43 Ca -0.00 -0.01 -0.42 0.00 -1.81 0.00 0.00 57.70 55.46 1qie n MET 43 Cb 0.10 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.09 1qie n MET 43 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1qie s ARG 44 N -2.98 4.13 0.00 0.03 3.52 -0.65 -1.44 118.95 121.57 1qie s ARG 44 Ca 0.13 2.57 0.00 0.00 -0.13 0.00 0.00 55.73 58.30 1qie s ARG 44 Cb 0.18 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 1qie s ARG 44 CO 0.60 -0.67 0.00 1.19 -0.81 0.00 0.00 175.30 175.60 1qie n PHE 45 N 3.00 0.00 -2.18 5.12 3.72 -1.26 -4.90 117.46 120.96 1qie n PHE 45 Ca 0.11 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.21 1qie n PHE 45 Cb 0.37 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 1qie n PHE 45 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1qie s ARG 46 N -0.06 3.63 0.61 -1.08 0.52 -0.52 -4.25 118.95 117.80 1qie s ARG 46 Ca 0.00 0.61 -0.19 0.00 -0.52 0.00 0.00 55.73 55.63 1qie s ARG 46 Cb 0.00 -2.18 -0.02 0.00 0.52 0.00 0.00 34.95 33.27 1qie s ARG 46 CO 0.00 -0.42 1.30 1.03 0.02 0.00 0.00 175.30 177.23 1qie s ARG 47 N -4.89 2.76 0.57 3.54 0.52 -1.26 -4.91 118.95 115.28 1qie s ARG 47 Ca 0.53 2.08 -0.17 0.00 -0.52 0.00 0.00 55.73 57.64 1qie s ARG 47 Cb -0.11 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 1qie s ARG 47 CO 0.48 -1.44 1.08 -1.25 0.02 0.00 0.00 175.30 174.19 1qie s PRO 48 N -3.25 3.31 0.02 3.54 0.04 -1.26 -5.06 135.00 132.35 1qie s PRO 48 Ca 0.79 1.38 0.05 0.00 0.04 0.00 0.00 61.00 63.27 1qie s PRO 48 Cb -0.37 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 1qie s PRO 48 CO 0.41 -0.84 -0.13 -1.21 0.04 0.00 0.00 177.00 175.27 1qie s GLU 49 N -3.70 2.28 0.43 4.56 0.41 -1.26 -5.02 118.70 116.40 1qie s GLU 49 Ca 0.67 -0.87 -0.25 0.00 -0.41 0.00 0.00 54.97 54.12 1qie s GLU 49 Cb -0.19 -2.32 -0.10 0.00 -1.78 0.00 0.00 34.13 29.75 1qie s GLU 49 CO 0.32 0.57 1.22 -2.30 -0.49 0.00 0.00 175.26 174.57 1qie n PRO 50 N 1.58 1.78 -2.22 0.39 -0.02 -1.26 -0.38 135.00 134.88 1qie n PRO 50 Ca -0.16 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 1qie n PRO 50 Cb 0.52 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1qie n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1qie s LYS 51 N -2.22 4.35 0.24 -0.52 2.47 -1.23 -4.05 119.74 118.79 1qie s LYS 51 Ca 0.62 2.03 -0.30 0.00 -1.56 0.00 0.00 55.97 56.76 1qie s LYS 51 Cb -0.51 -3.25 -0.09 0.00 -1.46 0.00 0.00 37.83 32.52 1qie s LYS 51 CO 0.57 -0.36 1.30 0.15 0.16 0.00 0.00 175.35 177.17 1qie s LYS 52 N 0.77 4.40 0.62 4.03 1.02 -1.26 -4.92 119.74 124.39 1qie s LYS 52 Ca 0.62 2.08 -0.18 0.00 0.02 0.00 0.00 55.97 58.51 1qie s LYS 52 Cb -0.36 -3.16 -0.05 0.00 -0.52 0.00 0.00 37.83 33.74 1qie s LYS 52 CO 0.32 -0.21 0.85 -2.30 -0.92 0.00 0.00 175.35 173.09 1qie n PRO 53 N 2.06 0.73 -4.32 -1.68 -0.02 -1.26 -5.01 135.00 125.50 1qie n PRO 53 Ca 0.04 0.29 -0.23 0.00 -2.02 0.00 0.00 63.50 61.58 1qie n PRO 53 Cb 0.43 -2.06 -0.12 0.00 -0.02 0.00 0.00 33.50 31.73 1qie n PRO 53 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1qie s TRP 54 N -1.61 1.86 0.41 6.00 -2.14 0.04 -5.02 118.94 118.49 1qie s TRP 54 Ca 0.74 -0.44 0.00 0.00 2.66 0.00 0.00 56.10 59.07 1qie s TRP 54 Cb -0.41 -0.97 -0.02 0.00 -3.10 0.00 0.00 33.47 28.98 1qie s TRP 54 CO 0.49 0.29 0.63 -1.12 -2.66 0.00 0.00 176.95 174.58 1qie s SER 55 N -2.34 6.02 0.00 -2.66 0.01 -1.26 -4.47 113.70 108.99 1qie s SER 55 Ca 0.12 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.73 1qie s SER 55 Cb -0.08 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.43 1qie s SER 55 CO 0.06 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.78 1qie n GLY 56 N -1.97 -1.90 3.41 3.44 0.00 -1.26 -4.85 105.19 102.07 1qie n GLY 56 Ca -0.01 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.27 1qie n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qie s VAL 57 N 0.00 3.55 -0.16 1.61 1.01 -1.26 -3.77 120.40 121.38 1qie s VAL 57 Ca 0.00 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.25 1qie s VAL 57 Cb 0.00 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1qie s VAL 57 CO 0.00 0.48 0.86 0.86 0.00 0.00 0.00 175.10 177.30 1qie s TRP 58 N 0.68 3.43 -0.66 5.22 -0.11 0.55 -4.87 118.94 123.17 1qie s TRP 58 Ca -0.03 1.30 -0.27 0.00 1.22 0.00 0.00 56.10 58.32 1qie s TRP 58 Cb -0.15 -3.04 0.02 0.00 -1.50 0.00 0.00 33.47 28.80 1qie s TRP 58 CO 0.02 -0.24 1.40 1.21 -4.62 0.00 0.00 176.95 174.71 1qie s ASN 59 N 1.15 6.03 -0.71 5.86 3.84 -1.26 0.50 114.94 130.35 1qie s ASN 59 Ca 0.40 -0.11 0.01 0.00 0.21 0.00 0.00 52.86 53.36 1qie s ASN 59 Cb -0.17 -2.55 0.37 0.00 -0.55 0.00 0.00 41.25 38.35 1qie s ASN 59 CO 0.13 -1.87 1.69 0.00 -2.79 0.00 0.00 177.10 174.26 1qie n ALA 60 N 9.89 5.98 0.78 1.71 0.00 1.00 -4.62 120.51 135.25 1qie n ALA 60 Ca 0.08 -4.22 0.08 0.00 0.00 0.00 0.00 53.44 49.39 1qie n ALA 60 Cb 0.50 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 1qie n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1qie n SER 61 N -0.50 1.44 -4.06 0.00 3.41 -1.24 -0.20 113.62 112.48 1qie n SER 61 Ca 0.48 -1.22 -0.14 0.00 -0.26 0.00 0.00 58.87 57.73 1qie n SER 61 Cb 0.38 0.63 -0.12 0.00 -0.26 0.00 0.00 64.21 64.84 1qie n SER 61 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1qie s THR 62 N -2.20 0.57 0.55 6.66 -4.23 -1.26 -4.86 115.64 110.87 1qie s THR 62 Ca 0.12 -0.97 -0.21 0.00 -1.18 0.00 0.00 61.69 59.45 1qie s THR 62 Cb 0.14 -0.61 -0.06 0.00 1.34 0.00 0.00 72.50 73.31 1qie s THR 62 CO 0.52 -0.30 1.11 -1.22 -0.54 0.00 0.00 174.62 174.19 1qie n TYR 63 N 1.67 1.40 -2.09 3.99 4.01 -1.26 -3.84 117.16 121.04 1qie n TYR 63 Ca -0.21 0.46 -0.26 0.00 -0.16 0.00 0.00 57.90 57.72 1qie n TYR 63 Cb 0.55 -2.23 0.17 0.00 -0.31 0.00 0.00 39.34 37.52 1qie n TYR 63 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1qie n PRO 64 N -0.80 -0.91 -1.55 -0.72 -0.04 -1.26 -4.87 135.00 124.85 1qie n PRO 64 Ca 0.12 -2.15 -0.29 0.00 -0.04 0.00 0.00 63.50 61.14 1qie n PRO 64 Cb 0.45 -1.12 0.11 0.00 -0.04 0.00 0.00 33.50 32.91 1qie n PRO 64 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1qie s ASN 65 N -5.43 3.97 0.06 3.54 0.01 -1.26 -4.85 114.94 110.98 1qie s ASN 65 Ca 0.70 1.12 0.01 0.00 -0.71 0.00 0.00 52.86 53.98 1qie s ASN 65 Cb -0.02 -1.76 -0.04 0.00 0.41 0.00 0.00 41.25 39.83 1qie s ASN 65 CO 0.48 -2.28 0.12 0.20 -1.51 0.00 0.00 177.10 174.11 1qie s ASN 66 N -3.98 5.79 0.75 -1.22 0.02 -0.69 -4.82 114.94 110.79 1qie s ASN 66 Ca 0.62 0.10 -0.14 0.00 -1.02 0.00 0.00 52.86 52.42 1qie s ASN 66 Cb -0.15 -1.65 0.05 0.00 0.02 0.00 0.00 41.25 39.53 1qie s ASN 66 CO 0.54 0.19 1.21 0.00 0.02 0.00 0.00 177.10 179.06 1qie s GLN 68 N -3.97 4.17 0.11 0.00 -1.52 -1.21 -4.57 119.66 112.66 1qie s GLN 68 Ca 0.74 2.49 -0.25 0.00 -1.95 0.00 0.00 55.36 56.39 1qie s GLN 68 Cb -0.29 -3.04 0.08 0.00 -0.22 0.00 0.00 33.01 29.53 1qie s GLN 68 CO 0.47 -0.55 0.75 1.14 -0.25 0.00 0.00 175.29 176.86 1qie s GLN 69 N -0.70 1.14 0.48 2.91 -2.07 -1.26 -4.68 119.66 115.48 1qie s GLN 69 Ca 0.60 -0.47 -0.23 0.00 -1.82 0.00 0.00 55.36 53.44 1qie s GLN 69 Cb -0.46 0.49 -0.07 0.00 -1.09 0.00 0.00 33.01 31.89 1qie s GLN 69 CO 0.49 -0.50 1.29 -0.47 -1.32 0.00 0.00 175.29 174.77 1qie s TYR 70 N -3.48 2.60 -0.14 9.60 5.04 -1.25 -5.01 117.35 124.70 1qie s TYR 70 Ca 0.04 1.43 0.01 0.00 -2.44 0.00 0.00 57.07 56.11 1qie s TYR 70 Cb -0.01 -3.65 0.02 0.00 0.35 0.00 0.00 41.96 38.67 1qie s TYR 70 CO -0.08 -2.29 -0.15 0.08 -1.34 0.00 0.00 175.55 171.76 1qie s VAL 71 N -1.36 1.63 -0.04 3.14 1.01 -1.26 -4.89 120.40 118.63 1qie s VAL 71 Ca 0.65 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1qie s VAL 71 Cb -0.36 -1.51 -0.06 0.00 0.00 0.00 0.00 36.38 34.45 1qie s VAL 71 CO 0.44 0.47 1.62 -0.62 0.00 0.00 0.00 175.10 177.01 1qie s ASP 72 N 1.35 6.69 -0.09 3.32 2.15 -1.26 -4.87 116.67 123.97 1qie s ASP 72 Ca 0.02 2.24 0.13 0.00 0.43 0.00 0.00 52.55 55.37 1qie s ASP 72 Cb -0.13 -2.54 0.19 0.00 -0.30 0.00 0.00 42.92 40.14 1qie s ASP 72 CO -0.09 -0.89 1.09 -0.62 -0.17 0.00 0.00 175.17 174.48 1qie n GLU 73 N 6.74 1.12 0.20 4.34 1.02 -1.26 -4.78 120.64 128.03 1qie n GLU 73 Ca 0.17 -2.08 0.05 0.00 -0.02 0.00 0.00 57.16 55.27 1qie n GLU 73 Cb 0.43 -1.21 0.48 0.00 -0.02 0.00 0.00 31.44 31.12 1qie n GLU 73 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1qie h GLN 74 N 0.00 0.06 -2.22 3.49 5.75 -2.01 -3.32 115.11 116.86 1qie h GLN 74 Ca 0.00 -0.01 -0.58 0.00 -0.15 0.00 0.00 58.65 57.91 1qie h GLN 74 Cb 1.04 -0.01 -0.40 0.00 1.07 0.00 0.00 27.48 29.18 1qie h GLN 74 CO 0.00 0.22 -0.90 1.19 -2.65 0.00 0.00 178.83 176.68 1qie n PHE 75 N -4.33 0.90 -1.69 3.99 3.72 -1.26 -5.10 117.46 113.69 1qie n PHE 75 Ca -0.02 -3.74 -0.56 0.00 -0.05 0.00 0.00 57.45 53.08 1qie n PHE 75 Cb 0.24 -0.32 -0.07 0.00 -0.94 0.00 0.00 39.48 38.39 1qie n PHE 75 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1qie n PRO 76 N 1.58 1.28 0.00 -1.08 -0.02 -1.25 -1.34 135.00 134.17 1qie n PRO 76 Ca 0.25 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1qie n PRO 76 Cb 0.47 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1qie n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qie n GLY 77 N 3.99 2.82 3.65 -1.23 0.00 -1.26 -5.02 105.19 108.14 1qie n GLY 77 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1qie n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1qie s PHE 78 N -1.92 1.39 0.41 1.61 5.36 -0.45 -4.90 117.98 119.48 1qie s PHE 78 Ca 0.00 -0.14 0.08 0.00 -0.96 0.00 0.00 56.93 55.91 1qie s PHE 78 Cb 0.00 -4.13 0.85 0.00 -0.34 0.00 0.00 43.02 39.39 1qie s PHE 78 CO 0.00 -4.94 2.00 0.66 -1.46 0.00 0.00 175.22 171.47 1qie h SER 79 N 11.31 0.34 -0.83 6.13 4.64 -1.95 -1.30 113.55 131.89 1qie h SER 79 Ca -0.46 -0.03 0.17 0.00 -0.47 0.00 0.00 61.79 61.00 1qie h SER 79 Cb 1.23 -0.09 -0.11 0.00 -0.31 0.00 0.00 62.40 63.12 1qie h SER 79 CO 0.95 0.35 0.37 1.23 -0.87 0.00 0.00 176.83 178.86 1qie h GLY 80 N 0.58 1.34 0.25 -0.77 0.00 -1.94 -1.69 103.07 100.84 1qie h GLY 80 Ca 0.09 -0.18 -0.37 0.00 0.00 0.00 0.00 47.33 46.87 1qie h GLY 80 CO -0.00 -0.14 -2.27 -1.14 0.00 0.00 0.00 176.54 172.99 1qie n SER 81 N -4.98 1.45 0.22 0.19 3.41 -1.10 -4.38 113.62 108.43 1qie n SER 81 Ca 0.18 0.03 0.16 0.00 -0.26 0.00 0.00 58.87 58.97 1qie n SER 81 Cb 0.50 -0.16 0.66 0.00 -0.26 0.00 0.00 64.21 64.95 1qie n SER 81 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1qie h GLU 82 N 0.02 0.00 0.00 4.33 5.08 -1.12 -2.22 114.58 120.67 1qie h GLU 82 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1qie h GLU 82 Cb 2.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.27 1qie h GLU 82 CO -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1qie n MET 83 N -2.74 0.09 -0.01 2.33 0.00 -0.65 -2.04 117.12 114.10 1qie n MET 83 Ca 0.01 0.37 0.11 0.00 0.00 0.00 0.00 57.70 58.18 1qie n MET 83 Cb 0.24 -1.68 -0.16 0.00 0.00 0.00 0.00 33.22 31.61 1qie n MET 83 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 1qie n TRP 84 N -1.85 0.00 -1.60 3.17 7.02 -0.84 -4.72 117.44 118.63 1qie n TRP 84 Ca 0.02 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.18 1qie n TRP 84 Cb 0.17 -0.46 0.06 0.00 -2.42 0.00 0.00 31.31 28.66 1qie n TRP 84 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1qie s ASN 85 N -4.39 4.93 0.26 -0.99 0.01 -0.87 -4.74 114.94 109.16 1qie s ASN 85 Ca -0.07 1.93 -0.31 0.00 -0.71 0.00 0.00 52.86 53.70 1qie s ASN 85 Cb 0.14 -2.54 -0.13 0.00 0.41 0.00 0.00 41.25 39.13 1qie s ASN 85 CO 0.89 -1.75 1.50 -2.65 -1.51 0.00 0.00 177.10 173.58 1qie n PRO 86 N -2.79 2.33 -0.25 -0.60 -0.02 -1.26 -4.88 135.00 127.53 1qie n PRO 86 Ca 0.10 0.83 0.07 0.00 -2.02 0.00 0.00 63.50 62.48 1qie n PRO 86 Cb 0.52 -2.55 0.20 0.00 -0.02 0.00 0.00 33.50 31.66 1qie n PRO 86 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1qie n ASN 87 N 2.20 3.26 -4.32 2.55 6.94 -1.26 -4.97 115.26 119.66 1qie n ASN 87 Ca 0.10 -2.05 -0.17 0.00 -0.02 0.00 0.00 54.58 52.45 1qie n ASN 87 Cb 0.34 -0.31 -0.10 0.00 -2.36 0.00 0.00 39.78 37.34 1qie n ASN 87 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1qie s ARG 88 N -1.09 1.34 0.41 -3.83 1.81 -1.26 -5.11 118.95 111.22 1qie s ARG 88 Ca 0.31 -1.68 -0.27 0.00 -1.72 0.00 0.00 55.73 52.37 1qie s ARG 88 Cb 0.17 -0.52 -0.10 0.00 -0.45 0.00 0.00 34.95 34.04 1qie s ARG 88 CO 0.20 -0.14 1.47 -2.00 -0.68 0.00 0.00 175.30 174.15 1qie s GLU 89 N -3.90 3.93 0.22 3.54 2.56 -1.26 -4.53 118.70 119.26 1qie s GLU 89 Ca 0.30 2.52 -0.14 0.00 0.00 0.00 0.00 54.97 57.64 1qie s GLU 89 Cb 0.06 -2.84 -0.08 0.00 2.00 0.00 0.00 34.13 33.28 1qie s GLU 89 CO 0.09 -0.66 0.62 -1.64 -0.56 0.00 0.00 175.26 173.12 1qie s MET 90 N -2.25 4.00 -0.12 4.30 -1.94 -1.26 -1.71 119.30 120.32 1qie s MET 90 Ca 0.56 0.55 -0.29 0.00 -1.71 0.00 0.00 55.69 54.80 1qie s MET 90 Cb -0.46 -2.75 0.08 0.00 2.01 0.00 0.00 34.83 33.72 1qie s MET 90 CO 0.61 0.35 0.75 0.45 -0.01 0.00 0.00 175.02 177.17 1qie s SER 91 N -1.98 -0.62 0.52 3.03 0.15 -0.15 -4.89 113.70 109.76 1qie s SER 91 Ca 0.45 0.81 0.30 0.00 0.70 0.00 0.00 55.95 58.21 1qie s SER 91 Cb -0.13 0.69 1.27 0.00 -1.71 0.00 0.00 66.02 66.13 1qie s SER 91 CO 0.20 -0.48 1.95 -0.33 1.20 0.00 0.00 173.24 175.78 1qie h GLU 92 N 3.35 0.00 -5.51 5.44 5.08 -1.94 -3.21 114.58 117.79 1qie h GLU 92 Ca -0.26 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.43 1qie h GLU 92 Cb 1.15 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.27 1qie h GLU 92 CO 0.30 0.08 1.54 0.34 -1.00 0.00 0.00 179.01 180.27 1qie s ASP 93 N -5.88 6.75 0.00 1.42 2.15 -1.26 -4.39 116.67 115.46 1qie s ASP 93 Ca 0.00 -2.21 0.00 0.00 0.43 0.00 0.00 52.55 50.78 1qie s ASP 93 Cb 0.10 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1qie s ASP 93 CO 0.57 -1.15 0.72 0.00 -0.17 0.00 0.00 175.17 175.14 1qie s LEU 95 N 0.00 4.55 0.15 0.00 1.43 -1.26 -4.69 118.68 118.86 1qie s LEU 95 Ca 0.00 -2.37 0.02 0.00 -1.03 0.00 0.00 54.13 50.75 1qie s LEU 95 Cb 0.00 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 1qie s LEU 95 CO 0.00 -1.05 -0.01 -0.31 0.23 0.00 0.00 176.35 175.21 1qie s TYR 96 N 2.98 1.11 0.19 0.29 1.51 -1.26 -2.75 117.35 119.42 1qie s TYR 96 Ca 0.43 -1.01 0.04 0.00 -1.01 0.00 0.00 57.07 55.52 1qie s TYR 96 Cb -0.01 -0.63 -0.05 0.00 -0.11 0.00 0.00 41.96 41.15 1qie s TYR 96 CO -0.03 -0.22 -0.06 -0.48 -1.11 0.00 0.00 175.55 173.66 1qie s LEU 97 N -3.13 2.38 -0.01 -1.29 0.05 0.49 -3.09 118.68 114.08 1qie s LEU 97 Ca 0.21 -1.11 0.06 0.00 0.05 0.00 0.00 54.13 53.34 1qie s LEU 97 Cb 0.06 -0.35 -0.02 0.00 -2.05 0.00 0.00 46.19 43.83 1qie s LEU 97 CO 0.02 -0.40 -0.19 0.20 -0.55 0.00 0.00 176.35 175.43 1qie s ASN 98 N -3.25 2.20 -0.06 1.48 0.01 0.41 -1.03 114.94 114.69 1qie s ASN 98 Ca 0.23 -0.36 0.02 0.00 -0.71 0.00 0.00 52.86 52.03 1qie s ASN 98 Cb 0.04 -0.23 0.02 0.00 0.41 0.00 0.00 41.25 41.48 1qie s ASN 98 CO 0.05 0.22 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.12 1qie s ILE 99 N -0.49 0.97 -0.22 0.60 1.01 0.57 -1.16 121.20 122.48 1qie s ILE 99 Ca 0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.30 1qie s ILE 99 Cb -0.07 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 1qie s ILE 99 CO -0.00 0.32 -0.02 0.26 0.00 0.00 0.00 174.94 175.49 1qie s TRP 100 N 0.76 2.98 -0.11 3.97 0.51 0.50 0.14 118.94 127.70 1qie s TRP 100 Ca -0.13 -0.84 0.03 0.00 -2.12 0.00 0.00 56.10 53.04 1qie s TRP 100 Cb -0.15 -2.12 -0.00 0.00 -0.81 0.00 0.00 33.47 30.38 1qie s TRP 100 CO 0.02 -0.51 -0.21 0.08 -0.51 0.00 0.00 176.95 175.82 1qie s VAL 101 N 1.48 2.29 1.00 4.03 1.01 -0.07 -1.36 120.40 128.78 1qie s VAL 101 Ca 0.06 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 1qie s VAL 101 Cb -0.14 -1.90 0.17 0.00 0.00 0.00 0.00 36.38 34.51 1qie s VAL 101 CO -0.02 0.55 0.96 -2.65 0.00 0.00 0.00 175.10 173.94 1qie n PRO 102 N 3.53 -1.03 -4.18 2.72 -0.02 -1.26 -0.65 135.00 134.11 1qie n PRO 102 Ca -0.19 -0.25 -0.22 0.00 -2.02 0.00 0.00 63.50 60.82 1qie n PRO 102 Cb 0.53 -2.22 -0.17 0.00 -0.02 0.00 0.00 33.50 31.62 1qie n PRO 102 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1qie s SER 103 N -2.46 1.34 0.58 2.55 0.15 -1.26 -3.00 113.70 111.61 1qie s SER 103 Ca 0.66 -0.18 -0.19 0.00 0.70 0.00 0.00 55.95 56.93 1qie s SER 103 Cb -0.23 -0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 63.47 1qie s SER 103 CO 0.62 -0.06 1.24 -2.16 1.20 0.00 0.00 173.24 174.08 1qie s PRO 104 N 1.08 2.99 0.04 5.44 0.04 -1.26 -4.98 135.00 138.35 1qie s PRO 104 Ca -0.08 1.93 -0.35 0.00 0.04 0.00 0.00 61.00 62.54 1qie s PRO 104 Cb -0.14 -2.00 -0.14 0.00 0.04 0.00 0.00 34.50 32.26 1qie s PRO 104 CO -0.01 -1.22 1.63 -2.13 0.04 0.00 0.00 177.00 175.32 1qie n ARG 105 N -1.47 1.89 -0.93 4.56 0.63 -1.16 -4.96 116.66 115.23 1qie n ARG 105 Ca 0.13 0.69 -0.28 0.00 -0.92 0.00 0.00 57.85 57.46 1qie n ARG 105 Cb 0.48 -2.45 0.21 0.00 0.45 0.00 0.00 32.46 31.15 1qie n ARG 105 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1qie s PRO 106 N 1.94 -0.12 -0.24 -0.14 0.02 -1.26 -4.99 135.00 130.21 1qie s PRO 106 Ca 0.85 0.63 -0.06 0.00 0.02 0.00 0.00 61.00 62.45 1qie s PRO 106 Cb -0.77 -1.66 -0.17 0.00 0.02 0.00 0.00 34.50 31.92 1qie s PRO 106 CO 0.46 -3.13 -0.13 1.63 -0.33 0.00 0.00 177.00 175.49 1qie n LYS 107 N -4.47 0.64 -2.75 5.54 4.76 -1.26 -4.03 118.16 116.59 1qie n LYS 107 Ca 0.04 0.24 -0.07 0.00 -2.87 0.00 0.00 58.31 55.65 1qie n LYS 107 Cb 0.56 -1.56 0.04 0.00 -1.84 0.00 0.00 35.03 32.23 1qie n LYS 107 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1qie n SER 108 N -3.67 -3.05 -4.91 4.39 2.88 -0.90 -4.50 113.62 103.85 1qie n SER 108 Ca -0.45 -3.20 -0.20 0.00 -1.33 0.00 0.00 58.87 53.68 1qie n SER 108 Cb 0.94 1.81 -0.02 0.00 -0.75 0.00 0.00 64.21 66.19 1qie n SER 108 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1qie s THR 109 N 0.74 4.03 0.30 2.46 -1.32 0.11 -4.49 115.64 117.46 1qie s THR 109 Ca 0.31 -1.19 -0.29 0.00 -1.21 0.00 0.00 61.69 59.31 1qie s THR 109 Cb 0.17 -3.37 -0.13 0.00 -1.51 0.00 0.00 72.50 67.66 1qie s THR 109 CO -0.20 -0.20 1.37 0.41 -2.21 0.00 0.00 174.62 173.79 1qie n THR 110 N -1.46 1.54 -4.77 5.08 -1.04 -1.26 -0.12 114.28 112.25 1qie n THR 110 Ca -0.03 -0.38 -0.33 0.00 -2.04 0.00 0.00 64.05 61.27 1qie n THR 110 Cb 0.59 -1.60 -0.12 0.00 -1.82 0.00 0.00 70.33 67.38 1qie n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1qie s VAL 111 N -0.62 3.35 -0.11 12.58 1.01 -0.84 -1.74 120.40 134.02 1qie s VAL 111 Ca 0.61 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1qie s VAL 111 Cb -0.58 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1qie s VAL 111 CO 0.56 0.59 -0.10 -0.04 0.00 0.00 0.00 175.10 176.11 1qie s MET 112 N -0.69 1.75 -0.27 2.72 -1.94 -0.74 -0.70 119.30 119.43 1qie s MET 112 Ca 0.10 -0.35 -0.06 0.00 -1.71 0.00 0.00 55.69 53.67 1qie s MET 112 Cb -0.11 -1.69 0.00 0.00 2.01 0.00 0.00 34.83 35.04 1qie s MET 112 CO 0.01 -0.21 0.04 0.08 -0.01 0.00 0.00 175.02 174.93 1qie s VAL 113 N 1.50 3.75 -0.05 -6.03 1.01 0.14 -0.09 120.40 120.64 1qie s VAL 113 Ca 0.02 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 1qie s VAL 113 Cb -0.13 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1qie s VAL 113 CO -0.07 0.18 0.56 0.86 0.00 0.00 0.00 175.10 176.63 1qie s TRP 114 N 1.48 3.62 -0.29 5.22 -0.11 0.24 -1.15 118.94 127.95 1qie s TRP 114 Ca 0.03 1.10 0.02 0.00 1.22 0.00 0.00 56.10 58.47 1qie s TRP 114 Cb -0.16 -2.59 0.07 0.00 -1.50 0.00 0.00 33.47 29.29 1qie s TRP 114 CO 0.01 0.29 -0.04 0.42 -4.62 0.00 0.00 176.95 173.01 1qie s ILE 115 N 0.11 2.38 0.75 5.86 1.01 -0.17 -2.67 121.20 128.48 1qie s ILE 115 Ca 0.30 -1.81 -0.14 0.00 0.00 0.00 0.00 60.65 59.00 1qie s ILE 115 Cb -0.17 -2.51 0.05 0.00 0.01 0.00 0.00 42.46 39.84 1qie s ILE 115 CO 0.15 -0.22 1.20 -0.72 0.00 0.00 0.00 174.94 175.34 1qie s TYR 116 N 1.07 2.03 0.00 3.97 -0.85 -1.26 -3.70 117.35 118.62 1qie s TYR 116 Ca -0.02 1.62 0.00 0.00 -0.52 0.00 0.00 57.07 58.14 1qie s TYR 116 Cb -0.20 -3.45 0.00 0.00 0.38 0.00 0.00 41.96 38.70 1qie s TYR 116 CO -0.05 -2.60 0.00 0.41 -1.52 0.00 0.00 175.55 171.79 1qie n GLY 117 N 0.32 1.63 0.00 5.49 0.00 -1.18 -3.56 105.19 107.89 1qie n GLY 117 Ca 0.13 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1qie n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qie n GLY 118 N 5.00 0.87 2.44 -0.02 0.00 -1.26 -4.17 105.19 108.05 1qie n GLY 118 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1qie n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qie n GLY 119 N 0.00 1.23 3.08 -0.02 0.00 -1.26 -1.75 105.19 106.47 1qie n GLY 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qie n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qie n PHE 120 N -2.64 0.00 0.06 1.61 3.72 -1.26 -4.75 117.46 114.20 1qie n PHE 120 Ca -0.20 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.21 1qie n PHE 120 Cb 0.63 -1.26 0.00 0.00 -0.94 0.00 0.00 39.48 37.91 1qie n PHE 120 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1qie n TYR 121 N -2.19 0.00 -3.54 1.38 0.18 -0.75 -0.07 117.16 112.17 1qie n TYR 121 Ca 0.00 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.72 1qie n TYR 121 Cb 0.22 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.19 1qie n TYR 121 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1qie n SER 122 N -0.32 -1.26 0.00 9.48 3.41 -0.72 -3.95 113.62 120.26 1qie n SER 122 Ca 0.01 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 1qie n SER 122 Cb 0.03 2.13 0.00 0.00 -0.26 0.00 0.00 64.21 66.11 1qie n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qie n GLY 123 N -0.32 3.49 3.15 5.00 0.00 -1.26 -4.23 105.19 111.02 1qie n GLY 123 Ca -0.04 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 1qie n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qie s SER 124 N 0.00 -0.11 0.00 1.61 0.01 -1.26 -4.70 113.70 109.25 1qie s SER 124 Ca 0.00 0.07 0.27 0.00 1.31 0.00 0.00 55.95 57.60 1qie s SER 124 Cb 0.00 0.31 0.91 0.00 0.21 0.00 0.00 66.02 67.46 1qie s SER 124 CO 0.00 -0.31 1.67 -1.54 0.41 0.00 0.00 173.24 173.46 1qie n SER 125 N 1.81 0.77 -1.06 2.44 3.41 -1.26 -4.03 113.62 115.70 1qie n SER 125 Ca -0.20 -0.70 0.12 0.00 -0.26 0.00 0.00 58.87 57.83 1qie n SER 125 Cb 0.56 0.06 0.17 0.00 -0.26 0.00 0.00 64.21 64.74 1qie n SER 125 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qie n THR 126 N -0.84 0.26 -1.56 6.66 -2.24 -1.26 -4.84 114.28 110.46 1qie n THR 126 Ca 0.12 -0.62 -0.36 0.00 -2.27 0.00 0.00 64.05 60.92 1qie n THR 126 Cb 0.32 1.22 0.08 0.00 -2.10 0.00 0.00 70.33 69.86 1qie n THR 126 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1qie n LEU 127 N 1.41 5.51 -0.03 3.22 4.77 -1.26 -4.90 117.00 125.74 1qie n LEU 127 Ca 0.17 0.76 0.03 0.00 -0.03 0.00 0.00 56.01 56.94 1qie n LEU 127 Cb 0.60 -1.54 0.40 0.00 -2.33 0.00 0.00 43.42 40.55 1qie n LEU 127 CO 0.16 -1.23 1.17 0.44 -1.33 0.00 0.00 177.39 176.60 1qie h ASP 128 N 0.14 0.52 0.56 -1.43 3.32 -1.94 -0.76 116.42 116.83 1qie h ASP 128 Ca -0.50 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1qie h ASP 128 Cb 1.33 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1qie h ASP 128 CO 0.51 0.39 0.00 1.33 -1.72 0.00 0.00 179.24 179.75 1qie n VAL 129 N -4.46 0.95 -0.60 -1.35 0.24 -1.26 -2.44 118.33 109.40 1qie n VAL 129 Ca 0.04 0.31 0.08 0.00 -2.04 0.00 0.00 64.34 62.73 1qie n VAL 129 Cb 0.06 -1.21 0.28 0.00 -1.47 0.00 0.00 33.84 31.51 1qie n VAL 129 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1qie n TYR 130 N -2.03 1.10 -1.89 6.34 4.01 -0.29 -4.72 117.16 119.67 1qie n TYR 130 Ca 0.02 -0.65 -0.42 0.00 -0.16 0.00 0.00 57.90 56.69 1qie n TYR 130 Cb 0.18 -0.21 -0.03 0.00 -0.31 0.00 0.00 39.34 38.98 1qie n TYR 130 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1qie s ASN 131 N -1.18 5.60 0.00 7.72 3.84 -1.02 -4.84 114.94 125.06 1qie s ASN 131 Ca 0.42 1.26 0.19 0.00 0.21 0.00 0.00 52.86 54.94 1qie s ASN 131 Cb 0.28 -2.52 1.14 0.00 -0.55 0.00 0.00 41.25 39.60 1qie s ASN 131 CO 0.19 -1.95 1.67 0.61 -2.79 0.00 0.00 177.10 174.82 1qie n GLY 132 N 5.57 -0.90 0.27 1.21 0.00 -1.26 -3.98 105.19 106.10 1qie n GLY 132 Ca 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 1qie n GLY 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qie h LYS 133 N 0.00 0.53 0.01 1.61 2.10 -1.92 -1.03 116.57 117.86 1qie h LYS 133 Ca 0.00 -0.13 -0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1qie h LYS 133 Cb 0.00 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 1qie h LYS 133 CO 0.00 0.58 -0.00 1.88 -2.00 0.00 0.00 179.45 179.91 1qie h TYR 134 N 0.50 -0.01 -0.56 0.07 0.05 -1.81 -0.11 116.97 115.10 1qie h TYR 134 Ca 0.10 -0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.77 1qie h TYR 134 Cb 0.39 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 1qie h TYR 134 CO 0.01 0.37 -0.08 1.25 -1.05 0.00 0.00 178.16 178.66 1qie h LEU 135 N -0.39 1.04 -0.16 3.88 5.85 -1.72 0.23 115.31 124.04 1qie h LEU 135 Ca -0.00 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1qie h LEU 135 Cb 0.38 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1qie h LEU 135 CO 0.00 1.13 0.04 0.00 -0.34 0.00 0.00 178.44 179.28 1qie h ALA 136 N 0.96 0.21 0.28 1.25 0.00 -1.18 -1.37 119.26 119.40 1qie h ALA 136 Ca 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1qie h ALA 136 Cb 0.65 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1qie h ALA 136 CO 0.04 -0.17 -0.13 -0.92 0.00 0.00 0.00 179.25 178.08 1qie h TYR 137 N 0.07 -0.35 -0.51 0.00 3.20 -0.88 -0.11 116.97 118.39 1qie h TYR 137 Ca 0.05 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 1qie h TYR 137 Cb 0.24 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1qie h TYR 137 CO 0.00 -0.06 0.12 1.15 -1.64 0.00 0.00 178.16 177.73 1qie h THR 138 N -0.62 1.24 -0.02 1.81 2.02 -0.58 -3.20 112.91 113.56 1qie h THR 138 Ca -0.04 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.28 1qie h THR 138 Cb 0.44 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1qie h THR 138 CO 0.06 0.31 -0.17 -0.62 0.37 0.00 0.00 175.52 175.48 1qie n GLU 139 N -4.44 1.81 -3.45 6.66 -0.58 -0.52 -4.99 120.64 115.13 1qie n GLU 139 Ca 0.01 -1.44 -0.18 0.00 -0.42 0.00 0.00 57.16 55.13 1qie n GLU 139 Cb 0.23 -1.47 0.07 0.00 -0.57 0.00 0.00 31.44 29.70 1qie n GLU 139 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1qie n GLU 140 N 0.66 -4.84 -4.38 3.49 1.02 -0.08 -5.03 120.64 111.49 1qie n GLU 140 Ca 0.13 0.79 -0.20 0.00 -0.02 0.00 0.00 57.16 57.86 1qie n GLU 140 Cb 0.52 -5.63 -0.10 0.00 -0.02 0.00 0.00 31.44 26.20 1qie n GLU 140 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1qie s VAL 141 N -3.43 1.79 -0.30 2.62 -7.23 -1.03 -4.74 120.40 108.07 1qie s VAL 141 Ca 0.15 -2.21 -0.21 0.00 -1.81 0.00 0.00 61.98 57.90 1qie s VAL 141 Cb -0.03 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 1qie s VAL 141 CO 0.76 -0.50 0.68 -0.69 -0.31 0.00 0.00 175.10 175.03 1qie s VAL 142 N -2.94 4.90 -0.24 1.32 1.01 -0.71 -4.45 120.40 119.29 1qie s VAL 142 Ca 0.25 0.99 -0.10 0.00 0.00 0.00 0.00 61.98 63.12 1qie s VAL 142 Cb 0.00 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1qie s VAL 142 CO 0.09 -0.15 0.14 -0.22 0.00 0.00 0.00 175.10 174.96 1qie s LEU 143 N 2.69 3.96 -0.06 3.92 1.98 -0.46 -1.79 118.68 128.93 1qie s LEU 143 Ca 0.27 0.04 0.06 0.00 -2.89 0.00 0.00 54.13 51.61 1qie s LEU 143 Cb -0.15 -2.06 -0.01 0.00 0.66 0.00 0.00 46.19 44.63 1qie s LEU 143 CO 0.12 0.04 -0.24 -0.69 -1.89 0.00 0.00 176.35 173.69 1qie s VAL 144 N 1.18 2.17 -0.08 1.68 1.01 0.87 -0.37 120.40 126.86 1qie s VAL 144 Ca 0.07 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1qie s VAL 144 Cb -0.14 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.46 1qie s VAL 144 CO 0.05 0.57 -0.14 -0.94 0.00 0.00 0.00 175.10 174.64 1qie s SER 145 N -0.22 2.16 0.26 3.32 1.04 -0.31 0.82 113.70 120.77 1qie s SER 145 Ca -0.02 -0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.07 1qie s SER 145 Cb -0.13 -0.98 0.03 0.00 0.10 0.00 0.00 66.02 65.04 1qie s SER 145 CO 0.03 0.04 0.25 0.00 0.98 0.00 0.00 173.24 174.54 1qie n LEU 146 N 3.96 0.00 -4.11 2.42 -0.00 -1.09 -0.45 117.00 117.73 1qie n LEU 146 Ca -0.21 -1.25 -0.09 0.00 -0.00 0.00 0.00 56.01 54.46 1qie n LEU 146 Cb 0.52 -0.08 -0.10 0.00 -0.00 0.00 0.00 43.42 43.76 1qie n LEU 146 CO 0.25 -0.48 -0.27 -0.94 -0.00 0.00 0.00 177.39 175.95 1qie s SER 147 N -2.54 0.31 -0.02 1.45 1.04 -1.18 -4.55 113.70 108.22 1qie s SER 147 Ca 0.19 -1.12 -0.29 0.00 0.48 0.00 0.00 55.95 55.21 1qie s SER 147 Cb -0.02 0.30 0.08 0.00 0.10 0.00 0.00 66.02 66.48 1qie s SER 147 CO 0.12 -0.72 0.70 -0.72 0.98 0.00 0.00 173.24 173.60 1qie s TYR 148 N -4.01 -0.60 0.35 5.02 1.13 -1.26 -4.46 117.35 113.51 1qie s TYR 148 Ca 0.20 0.91 -0.28 0.00 -1.41 0.00 0.00 57.07 56.48 1qie s TYR 148 Cb 0.07 0.45 -0.10 0.00 -1.10 0.00 0.00 41.96 41.27 1qie s TYR 148 CO -0.01 -0.63 1.33 1.03 -2.51 0.00 0.00 175.55 174.76 1qie s ARG 149 N -1.73 4.28 0.42 -3.49 0.52 -1.26 -4.90 118.95 112.79 1qie s ARG 149 Ca -0.07 2.26 0.04 0.00 -0.52 0.00 0.00 55.73 57.44 1qie s ARG 149 Cb -0.00 -3.02 -0.05 0.00 0.52 0.00 0.00 34.95 32.40 1qie s ARG 149 CO 0.04 -0.27 0.03 0.14 0.02 0.00 0.00 175.30 175.26 1qie s VAL 150 N -1.15 1.43 0.00 3.52 -7.23 -1.26 -4.24 120.40 111.46 1qie s VAL 150 Ca 0.50 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1qie s VAL 150 Cb -0.41 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 33.88 1qie s VAL 150 CO 0.54 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.94 1qie n GLY 151 N -0.98 0.80 0.34 2.32 0.00 0.90 -2.62 105.19 105.96 1qie n GLY 151 Ca -0.08 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.26 1qie n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qie h ALA 152 N -0.90 1.82 0.00 4.61 0.00 -1.89 -0.45 119.26 122.46 1qie h ALA 152 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1qie h ALA 152 Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1qie h ALA 152 CO 0.00 0.07 -0.05 0.74 0.00 0.00 0.00 179.25 180.01 1qie h PHE 153 N 0.59 0.00 0.00 0.00 0.04 -1.91 -1.26 116.94 114.39 1qie h PHE 153 Ca 0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.04 1qie h PHE 153 Cb 0.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1qie h PHE 153 CO -0.00 0.05 -0.64 0.41 -0.60 0.00 0.00 178.31 177.53 1qie n GLY 154 N -1.29 0.08 0.00 -1.45 0.00 -0.64 -4.23 105.19 97.66 1qie n GLY 154 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1qie n GLY 154 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qie n PHE 155 N -1.34 0.00 -1.68 1.61 3.72 -0.27 -0.39 117.46 119.10 1qie n PHE 155 Ca 0.01 -0.08 -0.44 0.00 -0.05 0.00 0.00 57.45 56.89 1qie n PHE 155 Cb 0.15 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.65 1qie n PHE 155 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1qie n LEU 156 N -0.08 3.81 -3.90 4.37 7.94 -0.48 -4.47 117.00 124.19 1qie n LEU 156 Ca 0.00 1.00 -0.29 0.00 -1.11 0.00 0.00 56.01 55.60 1qie n LEU 156 Cb 0.43 -1.50 -0.16 0.00 0.53 0.00 0.00 43.42 42.72 1qie n LEU 156 CO 0.00 0.07 -0.42 0.00 -1.11 0.00 0.00 177.39 175.93 1qie s ALA 157 N 2.73 1.67 -0.68 1.96 0.00 -1.26 -3.25 121.76 122.93 1qie s ALA 157 Ca 0.83 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 51.78 1qie s ALA 157 Cb -0.54 -1.27 0.24 0.00 0.00 0.00 0.00 23.12 21.54 1qie s ALA 157 CO 0.40 -1.01 0.76 1.28 0.00 0.00 0.00 175.76 177.19 1qie n LEU 158 N 4.79 3.85 -4.45 0.00 4.77 0.26 -2.84 117.00 123.37 1qie n LEU 158 Ca -0.12 -5.40 -0.48 0.00 -0.03 0.00 0.00 56.01 49.98 1qie n LEU 158 Cb 0.46 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 1qie n LEU 158 CO 0.17 1.99 0.17 1.57 -1.33 0.00 0.00 177.39 179.96 1qie n HIS 159 N 1.04 0.01 0.00 -1.77 -0.00 -1.26 -2.17 115.22 111.07 1qie n HIS 159 Ca 0.28 0.91 0.00 0.00 -0.00 0.00 0.00 57.72 58.91 1qie n HIS 159 Cb 0.40 -2.04 0.00 0.00 -0.00 0.00 0.00 29.99 28.35 1qie n HIS 159 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qie n GLY 160 N 1.80 3.14 3.75 1.57 0.00 -1.26 -5.05 105.19 109.14 1qie n GLY 160 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1qie n GLY 160 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qie s SER 161 N -0.50 5.34 0.00 1.61 1.04 -0.92 -5.01 113.70 115.27 1qie s SER 161 Ca 0.00 -0.09 0.25 0.00 0.48 0.00 0.00 55.95 56.59 1qie s SER 161 Cb 0.00 -1.37 0.45 0.00 0.10 0.00 0.00 66.02 65.19 1qie s SER 161 CO 0.00 0.16 1.38 0.00 0.98 0.00 0.00 173.24 175.76 1qie n GLN 162 N 0.39 1.25 0.07 4.02 1.13 -1.26 -3.53 117.38 119.44 1qie n GLN 162 Ca -0.09 -0.90 -0.03 0.00 -1.94 0.00 0.00 57.00 54.03 1qie n GLN 162 Cb 0.52 -1.48 -0.07 0.00 0.11 0.00 0.00 30.24 29.32 1qie n GLN 162 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1qie h GLU 163 N 2.20 0.00 -0.88 -1.09 4.39 -1.93 -3.40 114.58 113.87 1qie h GLU 163 Ca 0.00 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.33 1qie h GLU 163 Cb 0.65 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 29.05 1qie h GLU 163 CO 0.00 0.70 -0.76 0.00 -1.16 0.00 0.00 179.01 177.78 1qie n ALA 164 N -2.34 0.28 0.21 3.43 0.00 -1.26 -3.49 120.51 117.33 1qie n ALA 164 Ca -0.03 -2.28 0.08 0.00 0.00 0.00 0.00 53.44 51.21 1qie n ALA 164 Cb 0.88 -1.10 0.41 0.00 0.00 0.00 0.00 19.45 19.64 1qie n ALA 164 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qie h PRO 165 N 3.91 0.00 0.00 0.00 0.13 -1.74 0.75 132.00 135.05 1qie h PRO 165 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1qie h PRO 165 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1qie h PRO 165 CO 0.38 0.30 0.00 0.41 -0.23 0.00 0.00 178.00 178.86 1qie n GLY 166 N 0.11 1.41 3.02 1.56 0.00 -1.20 -4.38 105.19 105.71 1qie n GLY 166 Ca -0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1qie n GLY 166 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qie n ASN 167 N 0.00 -4.49 0.29 1.61 3.02 -1.26 -4.80 115.26 109.63 1qie n ASN 167 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.70 1qie n ASN 167 Cb 0.00 -3.01 0.86 0.00 -0.61 0.00 0.00 39.78 37.02 1qie n ASN 167 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1qie h VAL 168 N 0.00 0.44 -0.43 2.41 -1.51 -1.85 0.31 116.25 115.62 1qie h VAL 168 Ca 0.00 -0.28 -0.10 0.00 -1.23 0.00 0.00 66.70 65.09 1qie h VAL 168 Cb 0.75 1.19 -0.02 0.00 -2.13 0.00 0.00 31.29 31.08 1qie h VAL 168 CO 0.00 0.06 -0.12 1.23 -1.23 0.00 0.00 177.57 177.50 1qie h GLY 169 N 0.51 0.85 1.68 5.19 0.00 -0.94 -0.59 103.07 109.77 1qie h GLY 169 Ca -0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 47.33 46.53 1qie h GLY 169 CO 0.01 0.60 -0.52 1.41 0.00 0.00 0.00 176.54 178.04 1qie h LEU 170 N 0.71 0.38 -1.04 3.11 3.38 -1.23 -2.65 115.31 117.97 1qie h LEU 170 Ca 0.12 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1qie h LEU 170 Cb 0.61 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1qie h LEU 170 CO 0.04 0.83 -0.39 -0.07 0.09 0.00 0.00 178.44 178.94 1qie h LEU 171 N 0.27 0.18 -0.15 1.67 3.38 -0.81 -0.84 115.31 119.01 1qie h LEU 171 Ca 0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1qie h LEU 171 Cb 1.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1qie h LEU 171 CO 0.09 0.56 0.08 0.44 0.09 0.00 0.00 178.44 179.69 1qie h ASP 172 N 0.15 0.19 -0.40 -0.43 3.32 -0.79 0.13 116.42 118.58 1qie h ASP 172 Ca 0.01 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.01 1qie h ASP 172 Cb 0.76 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 1qie h ASP 172 CO 0.06 0.23 0.16 1.56 -1.72 0.00 0.00 179.24 179.54 1qie h GLN 173 N 0.13 0.33 -0.96 3.56 4.20 -1.17 -0.88 115.11 120.32 1qie h GLN 173 Ca 0.05 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1qie h GLN 173 Cb 0.09 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 1qie h GLN 173 CO -0.01 0.22 0.59 -0.09 -0.67 0.00 0.00 178.83 178.87 1qie h ARG 174 N 0.34 1.29 -0.58 1.46 2.43 -0.81 -0.43 114.38 118.07 1qie h ARG 174 Ca 0.18 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1qie h ARG 174 Cb 0.14 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1qie h ARG 174 CO -0.17 0.89 0.10 1.98 -1.51 0.00 0.00 179.97 181.27 1qie h MET 175 N 1.31 0.93 -0.64 0.20 4.05 0.08 0.14 114.93 121.00 1qie h MET 175 Ca 0.34 -0.22 -0.09 0.00 -0.28 0.00 0.00 59.70 59.45 1qie h MET 175 Cb -0.07 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.58 1qie h MET 175 CO -0.07 0.86 0.05 0.00 0.23 0.00 0.00 176.91 177.98 1qie h ALA 176 N 1.23 0.87 -0.31 0.39 0.00 -0.44 -1.09 119.26 119.89 1qie h ALA 176 Ca 0.18 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1qie h ALA 176 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1qie h ALA 176 CO 0.01 0.67 -0.18 -0.07 0.00 0.00 0.00 179.25 179.68 1qie h LEU 177 N 1.01 0.56 -0.90 0.00 3.38 -0.48 -1.71 115.31 117.17 1qie h LEU 177 Ca 0.19 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1qie h LEU 177 Cb 0.51 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1qie h LEU 177 CO 0.02 0.75 0.18 -0.61 0.09 0.00 0.00 178.44 178.87 1qie h GLN 178 N 0.51 0.98 -0.40 1.13 5.75 -0.13 -0.73 115.11 122.22 1qie h GLN 178 Ca 0.08 -0.21 -0.06 0.00 -0.15 0.00 0.00 58.65 58.32 1qie h GLN 178 Cb 0.60 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 1qie h GLN 178 CO 0.04 0.86 0.01 2.35 -2.65 0.00 0.00 178.83 179.44 1qie h TRP 179 N 0.94 0.76 -0.41 3.99 7.01 -0.75 -1.72 115.95 125.77 1qie h TRP 179 Ca 0.21 -0.13 0.01 0.00 2.11 0.00 0.00 58.89 61.09 1qie h TRP 179 Cb 0.30 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.14 1qie h TRP 179 CO 0.02 0.77 0.25 0.28 -2.79 0.00 0.00 178.44 176.96 1qie h VAL 180 N 0.53 1.06 -0.84 2.65 2.07 -0.96 0.30 116.25 121.05 1qie h VAL 180 Ca 0.12 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1qie h VAL 180 Cb 0.45 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1qie h VAL 180 CO 0.02 0.09 0.54 -0.74 0.02 0.00 0.00 177.57 177.50 1qie h HIS 181 N 0.50 1.01 0.00 1.57 -0.00 -0.98 -0.52 115.15 116.73 1qie h HIS 181 Ca 0.16 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.52 1qie h HIS 181 Cb -0.01 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.06 1qie h HIS 181 CO -0.07 0.58 -0.53 -0.44 -0.00 0.00 0.00 177.93 177.47 1qie h ASP 182 N 1.05 0.00 0.00 3.26 3.32 -0.74 -3.42 116.42 119.89 1qie h ASP 182 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1qie h ASP 182 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1qie h ASP 182 CO -0.11 0.14 -0.21 0.59 -1.72 0.00 0.00 179.24 177.92 1qie n ASN 183 N -2.97 1.07 0.33 6.45 3.02 0.99 -4.79 115.26 119.37 1qie n ASN 183 Ca 0.01 -0.21 0.22 0.00 -0.03 0.00 0.00 54.58 54.57 1qie n ASN 183 Cb 0.60 0.64 1.19 0.00 -0.61 0.00 0.00 39.78 41.60 1qie n ASN 183 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1qie h ILE 184 N 0.00 0.06 0.00 2.41 6.09 -1.24 -1.30 117.51 123.54 1qie h ILE 184 Ca 0.00 -0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.46 1qie h ILE 184 Cb 0.00 1.00 -0.00 0.00 0.47 0.00 0.00 36.82 38.29 1qie h ILE 184 CO 0.00 0.00 -0.12 0.06 -3.07 0.00 0.00 178.15 175.02 1qie h GLN 185 N 0.00 0.00 0.00 2.19 3.07 -1.80 -0.08 115.11 118.49 1qie h GLN 185 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1qie h GLN 185 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1qie h GLN 185 CO 0.00 0.12 0.00 1.19 0.09 0.00 0.00 178.83 180.23 1qie n PHE 186 N -4.38 0.54 0.11 0.06 3.72 -0.49 -2.51 117.46 114.51 1qie n PHE 186 Ca -0.03 0.18 0.10 0.00 -0.05 0.00 0.00 57.45 57.65 1qie n PHE 186 Cb 0.19 -0.79 0.19 0.00 -0.94 0.00 0.00 39.48 38.14 1qie n PHE 186 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1qie n PHE 187 N -1.96 0.50 -0.14 1.38 3.01 -0.57 -4.85 117.46 114.84 1qie n PHE 187 Ca 0.05 -0.31 0.00 0.00 1.01 0.00 0.00 57.45 58.19 1qie n PHE 187 Cb 0.31 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 1qie n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qie n GLY 188 N 1.18 0.57 3.86 1.37 0.00 -1.04 -4.59 105.19 106.54 1qie n GLY 188 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1qie n GLY 188 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qie s GLY 189 N -1.25 2.12 -0.45 -0.02 0.00 -0.15 0.04 107.32 107.61 1qie s GLY 189 Ca 0.00 -0.10 -0.18 0.00 0.00 0.00 0.00 44.72 44.45 1qie s GLY 189 CO 0.00 0.10 0.48 -0.35 0.00 0.00 0.00 173.10 173.33 1qie s ASP 190 N -2.76 6.20 0.51 1.64 2.15 0.83 -3.40 116.67 121.83 1qie s ASP 190 Ca 0.52 -0.83 0.34 0.00 0.43 0.00 0.00 52.55 53.01 1qie s ASP 190 Cb -0.10 -2.24 1.79 0.00 -0.30 0.00 0.00 42.92 42.07 1qie s ASP 190 CO 0.25 -0.67 2.04 1.55 -0.17 0.00 0.00 175.17 178.17 1qie h PRO 191 N 8.80 0.00 -0.02 4.34 0.13 -1.88 -1.26 132.00 142.11 1qie h PRO 191 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1qie h PRO 191 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1qie h PRO 191 CO 0.85 0.00 -0.03 0.36 -0.23 0.00 0.00 178.00 178.95 1qie n LYS 192 N -2.73 1.61 -2.97 0.86 2.85 -1.26 -4.24 118.16 112.28 1qie n LYS 192 Ca -0.02 -0.97 -0.22 0.00 -1.05 0.00 0.00 58.31 56.06 1qie n LYS 192 Cb 0.09 -1.48 -0.03 0.00 -0.65 0.00 0.00 35.03 32.96 1qie n LYS 192 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1qie n THR 193 N 0.15 1.59 -4.14 0.58 -1.04 -0.48 -4.69 114.28 106.25 1qie n THR 193 Ca 0.18 -4.93 -0.35 0.00 -2.04 0.00 0.00 64.05 56.92 1qie n THR 193 Cb 0.37 -0.77 -0.10 0.00 -1.82 0.00 0.00 70.33 68.01 1qie n THR 193 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1qie s VAL 194 N -3.68 4.57 -0.20 12.58 0.11 -1.26 -1.99 120.40 130.53 1qie s VAL 194 Ca 0.44 -0.12 -0.03 0.00 -2.93 0.00 0.00 61.98 59.34 1qie s VAL 194 Cb 0.33 -3.02 -0.01 0.00 -1.53 0.00 0.00 36.38 32.16 1qie s VAL 194 CO -0.11 0.50 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.20 1qie s THR 195 N 0.05 3.16 -0.00 5.04 2.01 0.12 -0.52 115.64 125.51 1qie s THR 195 Ca 0.04 -0.57 -0.15 0.00 0.31 0.00 0.00 61.69 61.32 1qie s THR 195 Cb -0.12 -2.42 -0.06 0.00 0.01 0.00 0.00 72.50 69.91 1qie s THR 195 CO 0.01 0.45 0.40 0.27 -0.69 0.00 0.00 174.62 175.07 1qie s ILE 196 N 1.30 5.04 -0.03 1.82 -4.36 -0.97 -0.68 121.20 123.33 1qie s ILE 196 Ca 0.04 0.83 -0.09 0.00 -0.26 0.00 0.00 60.65 61.16 1qie s ILE 196 Cb -0.14 -3.70 0.01 0.00 1.25 0.00 0.00 42.46 39.87 1qie s ILE 196 CO -0.04 0.58 0.19 0.72 0.24 0.00 0.00 174.94 176.64 1qie s PHE 197 N -1.07 -0.08 0.21 1.37 -0.71 -0.30 -1.27 117.98 116.13 1qie s PHE 197 Ca 0.24 0.15 -0.23 0.00 -1.04 0.00 0.00 56.93 56.05 1qie s PHE 197 Cb -0.17 0.02 0.05 0.00 -1.21 0.00 0.00 43.02 41.71 1qie s PHE 197 CO 0.13 -0.25 0.75 0.20 -1.34 0.00 0.00 175.22 174.70 1qie s GLY 198 N -0.92 -0.27 0.03 1.99 0.00 -1.10 -1.00 107.32 106.05 1qie s GLY 198 Ca -0.10 0.05 0.08 0.00 0.00 0.00 0.00 44.72 44.76 1qie s GLY 198 CO 0.02 0.02 -0.24 1.85 0.00 0.00 0.00 173.10 174.74 1qie s GLU 199 N -3.71 1.75 6.84 2.90 -6.30 -1.24 -0.84 118.70 118.10 1qie s GLU 199 Ca 0.08 -1.01 0.00 0.00 -2.50 0.00 0.00 54.97 51.55 1qie s GLU 199 Cb -0.04 -1.85 0.00 0.00 0.00 0.00 0.00 34.13 32.25 1qie s GLU 199 CO 0.00 0.48 0.00 0.45 0.02 0.00 0.00 175.26 176.22 1qie n SER 200 N 1.98 0.00 0.07 -1.70 2.88 0.26 -0.73 113.62 116.39 1qie n SER 200 Ca -0.17 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.56 1qie n SER 200 Cb 0.52 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.71 1qie n SER 200 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qie h ALA 201 N -0.86 2.25 -0.07 -1.46 0.00 -1.87 0.50 119.26 117.75 1qie h ALA 201 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1qie h ALA 201 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1qie h ALA 201 CO 0.00 -0.54 -0.61 0.78 0.00 0.00 0.00 179.25 178.88 1qie h GLY 202 N 0.00 0.28 1.23 0.00 0.00 -0.98 0.73 103.07 104.34 1qie h GLY 202 Ca 0.19 -0.36 -0.21 0.00 0.00 0.00 0.00 47.33 46.96 1qie h GLY 202 CO -0.00 0.32 -0.71 -1.33 0.00 0.00 0.00 176.54 174.82 1qie h GLY 203 N 1.45 0.85 1.03 4.60 0.00 -0.08 -1.82 103.07 109.10 1qie h GLY 203 Ca -0.01 -1.13 -0.05 0.00 0.00 0.00 0.00 47.33 46.14 1qie h GLY 203 CO 0.10 1.01 0.27 0.00 0.00 0.00 0.00 176.54 177.92 1qie h ALA 204 N 0.64 0.93 -0.13 3.60 0.00 -0.79 -1.99 119.26 121.52 1qie h ALA 204 Ca -0.03 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1qie h ALA 204 Cb 1.33 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1qie h ALA 204 CO 0.15 0.57 0.04 0.77 0.00 0.00 0.00 179.25 180.78 1qie h SER 205 N 1.03 0.05 -0.48 0.00 0.02 -0.73 0.32 113.55 113.76 1qie h SER 205 Ca 0.24 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.27 1qie h SER 205 Cb 0.24 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 1qie h SER 205 CO -0.02 0.05 0.12 0.58 -1.14 0.00 0.00 176.83 176.42 1qie h VAL 206 N 0.11 0.77 -0.32 2.27 2.07 -1.03 0.56 116.25 120.68 1qie h VAL 206 Ca 0.06 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1qie h VAL 206 Cb 0.03 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1qie h VAL 206 CO -0.06 0.05 0.12 1.23 0.02 0.00 0.00 177.57 178.93 1qie h GLY 207 N 0.27 0.48 1.86 2.17 0.00 -0.94 -2.00 103.07 104.92 1qie h GLY 207 Ca 0.24 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 1qie h GLY 207 CO -0.29 0.21 -0.41 -0.33 0.00 0.00 0.00 176.54 175.72 1qie h MET 208 N 0.45 0.15 0.00 4.80 2.86 0.12 -2.18 114.93 121.14 1qie h MET 208 Ca 0.11 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.56 1qie h MET 208 Cb 0.12 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1qie h MET 208 CO -0.01 0.54 -0.58 0.45 1.06 0.00 0.00 176.91 178.37 1qie h HIS 209 N 0.13 0.00 -0.31 -0.22 3.86 -0.51 0.60 115.15 118.70 1qie h HIS 209 Ca 0.01 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.09 1qie h HIS 209 Cb 0.79 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 1qie h HIS 209 CO 0.01 0.58 -0.34 0.82 0.86 0.00 0.00 177.93 179.86 1qie h ILE 210 N 0.00 1.28 0.05 2.45 2.04 -1.03 -3.17 117.51 119.13 1qie h ILE 210 Ca -0.01 -1.48 -0.08 0.00 1.00 0.00 0.00 64.86 64.30 1qie h ILE 210 Cb 1.26 1.40 0.01 0.00 -0.74 0.00 0.00 36.82 38.75 1qie h ILE 210 CO 0.08 0.48 -0.34 -0.07 0.00 0.00 0.00 178.15 178.30 1qie h LEU 211 N 0.58 0.21 -9.25 1.44 3.38 -1.12 0.56 115.31 111.12 1qie h LEU 211 Ca 0.06 -0.93 -0.55 0.00 0.09 0.00 0.00 57.88 56.56 1qie h LEU 211 Cb 0.85 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1qie h LEU 211 CO 0.07 1.12 1.20 -0.55 0.09 0.00 0.00 178.44 180.37 1qie s SER 212 N -6.50 6.41 0.33 -0.43 0.15 0.18 -4.65 113.70 109.19 1qie s SER 212 Ca -0.16 2.31 0.09 0.00 0.70 0.00 0.00 55.95 58.89 1qie s SER 212 Cb -0.01 -2.53 0.83 0.00 -1.71 0.00 0.00 66.02 62.61 1qie s SER 212 CO 0.75 -1.13 1.78 -0.65 1.20 0.00 0.00 173.24 175.19 1qie h PRO 213 N 10.71 0.65 0.00 5.44 0.11 -1.87 -1.29 132.00 145.75 1qie h PRO 213 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1qie h PRO 213 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1qie h PRO 213 CO 0.95 0.43 0.00 0.41 -0.21 0.00 0.00 178.00 179.58 1qie n GLY 214 N -1.36 -0.95 0.03 -0.55 0.00 -1.26 -3.54 105.19 97.55 1qie n GLY 214 Ca 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 1qie n GLY 214 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qie n SER 215 N -1.27 3.00 -0.33 1.61 7.64 -0.50 -4.76 113.62 119.00 1qie n SER 215 Ca 0.10 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.15 1qie n SER 215 Cb 0.16 0.95 0.37 0.00 -1.01 0.00 0.00 64.21 64.68 1qie n SER 215 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1qie h ARG 216 N 0.00 0.42 0.00 1.43 3.08 -1.48 -0.92 114.38 116.92 1qie h ARG 216 Ca -0.14 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1qie h ARG 216 Cb 1.11 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1qie h ARG 216 CO 0.01 0.28 0.00 -0.25 -1.07 0.00 0.00 179.97 178.94 1qie n ASP 217 N -5.00 0.00 -0.34 7.04 8.00 -1.26 -3.68 116.55 121.31 1qie n ASP 217 Ca 0.26 0.06 0.15 0.00 0.71 0.00 0.00 54.79 55.96 1qie n ASP 217 Cb 0.77 -0.33 0.65 0.00 -0.02 0.00 0.00 41.12 42.18 1qie n ASP 217 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1qie n LEU 218 N -1.33 1.06 -3.78 0.64 4.77 -0.35 -4.92 117.00 113.09 1qie n LEU 218 Ca 0.10 -0.35 -0.10 0.00 -0.03 0.00 0.00 56.01 55.64 1qie n LEU 218 Cb 0.21 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1qie n LEU 218 CO 0.20 0.18 0.20 0.72 -1.33 0.00 0.00 177.39 177.35 1qie s PHE 219 N -2.01 -0.02 -0.21 -1.77 -0.71 -1.24 -4.81 117.98 107.22 1qie s PHE 219 Ca 0.41 -0.33 -0.16 0.00 -1.04 0.00 0.00 56.93 55.81 1qie s PHE 219 Cb 0.21 0.28 -0.10 0.00 -1.21 0.00 0.00 43.02 42.20 1qie s PHE 219 CO 0.35 -0.85 -0.21 -2.13 -1.34 0.00 0.00 175.22 171.04 1qie n ARG 220 N -0.30 0.54 -4.44 1.99 3.00 0.33 -4.95 116.66 112.83 1qie n ARG 220 Ca -0.10 0.36 -0.22 0.00 -0.00 0.00 0.00 57.85 57.89 1qie n ARG 220 Cb 0.63 -1.56 -0.09 0.00 0.00 0.00 0.00 32.46 31.43 1qie n ARG 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1qie s ARG 221 N -2.55 1.74 -0.02 -0.14 0.52 -1.03 -4.65 118.95 112.83 1qie s ARG 221 Ca -0.30 -2.01 -0.12 0.00 -0.52 0.00 0.00 55.73 52.78 1qie s ARG 221 Cb 0.08 -0.52 0.02 0.00 0.52 0.00 0.00 34.95 35.05 1qie s ARG 221 CO 0.44 -0.39 0.24 0.00 0.02 0.00 0.00 175.30 175.62 1qie s ALA 222 N -3.37 -0.60 -0.08 2.13 0.00 -1.18 -2.28 121.76 116.37 1qie s ALA 222 Ca 0.31 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.48 1qie s ALA 222 Cb 0.05 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1qie s ALA 222 CO 0.15 -0.23 -0.12 0.42 0.00 0.00 0.00 175.76 175.98 1qie s ILE 223 N -1.22 1.17 -0.18 0.00 1.01 -0.39 -1.66 121.20 119.92 1qie s ILE 223 Ca -0.13 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1qie s ILE 223 Cb -0.06 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.35 1qie s ILE 223 CO 0.03 0.37 -0.19 -0.76 0.00 0.00 0.00 174.94 174.39 1qie s LEU 224 N 0.83 2.14 -0.26 2.97 1.02 -0.15 -2.71 118.68 122.52 1qie s LEU 224 Ca -0.11 -0.66 -0.05 0.00 0.02 0.00 0.00 54.13 53.33 1qie s LEU 224 Cb -0.15 -1.45 0.01 0.00 0.02 0.00 0.00 46.19 44.61 1qie s LEU 224 CO 0.02 -0.01 0.01 -1.10 0.02 0.00 0.00 176.35 175.29 1qie s GLN 225 N 1.30 3.15 -1.49 1.70 -0.21 -0.02 -2.35 119.66 121.76 1qie s GLN 225 Ca 0.05 -0.79 -0.08 0.00 0.02 0.00 0.00 55.36 54.55 1qie s GLN 225 Cb -0.13 -3.17 0.06 0.00 1.00 0.00 0.00 33.01 30.77 1qie s GLN 225 CO -0.13 -0.34 0.74 0.43 -2.12 0.00 0.00 175.29 173.87 1qie n SER 226 N 4.80 -2.58 -3.64 5.90 7.64 0.02 -0.58 113.62 125.19 1qie n SER 226 Ca -0.16 -0.89 -0.04 0.00 1.01 0.00 0.00 58.87 58.78 1qie n SER 226 Cb 0.49 -3.48 -0.06 0.00 -1.01 0.00 0.00 64.21 60.15 1qie n SER 226 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1qie s GLY 227 N -3.80 0.18 0.04 0.23 0.00 -1.26 -3.29 107.32 99.42 1qie s GLY 227 Ca 0.37 3.15 -0.06 0.00 0.00 0.00 0.00 44.72 48.18 1qie s GLY 227 CO 0.86 1.66 0.10 -1.35 0.00 0.00 0.00 173.10 174.37 1qie s SER 228 N -0.28 0.18 0.51 1.64 1.04 -1.26 -3.95 113.70 111.58 1qie s SER 228 Ca 0.07 -0.55 0.21 0.00 0.48 0.00 0.00 55.95 56.15 1qie s SER 228 Cb -0.04 0.23 1.29 0.00 0.10 0.00 0.00 66.02 67.60 1qie s SER 228 CO -0.11 -0.52 2.03 1.55 0.98 0.00 0.00 173.24 177.16 1qie h PRO 229 N 3.60 0.09 -0.41 4.02 0.13 -1.81 -2.32 132.00 135.29 1qie h PRO 229 Ca -0.33 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1qie h PRO 229 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1qie h PRO 229 CO 0.51 0.06 0.00 0.27 -0.23 0.00 0.00 178.00 178.61 1qie n ASN 230 N -4.44 1.71 -4.77 1.44 6.94 -1.26 -4.73 115.26 110.15 1qie n ASN 230 Ca 0.07 -2.08 -0.41 0.00 -0.02 0.00 0.00 54.58 52.14 1qie n ASN 230 Cb 0.43 -0.27 -0.01 0.00 -2.36 0.00 0.00 39.78 37.58 1qie n ASN 230 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qie h PRO 232 N 3.00 0.00 0.00 0.00 0.13 -1.84 -1.79 132.00 131.51 1qie h PRO 232 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1qie h PRO 232 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1qie h PRO 232 CO 0.64 0.00 -1.69 -2.67 -0.23 0.00 0.00 178.00 174.05 1qie n TRP 233 N -3.00 0.00 0.39 1.56 4.27 -1.26 -4.59 117.44 114.80 1qie n TRP 233 Ca -0.02 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.72 1qie n TRP 233 Cb 0.28 -0.35 0.52 0.00 -1.36 0.00 0.00 31.31 30.41 1qie n TRP 233 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1qie h ALA 234 N 2.26 1.00 -2.95 -1.67 0.00 -1.63 -3.43 119.26 112.84 1qie h ALA 234 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qie h ALA 234 Cb 0.84 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 1qie h ALA 234 CO 0.00 0.00 0.15 -1.54 0.00 0.00 0.00 179.25 177.86 1qie s SER 235 N -4.61 -0.38 0.15 0.00 1.04 -1.26 -3.48 113.70 105.17 1qie s SER 235 Ca 0.04 -0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.15 1qie s SER 235 Cb 0.09 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.80 1qie s SER 235 CO 0.44 -1.09 0.08 0.68 0.98 0.00 0.00 173.24 174.33 1qie s VAL 236 N -3.83 0.11 0.77 5.02 -7.23 -0.40 -4.97 120.40 109.85 1qie s VAL 236 Ca 0.06 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.18 1qie s VAL 236 Cb -0.02 -2.19 0.05 0.00 0.56 0.00 0.00 36.38 34.78 1qie s VAL 236 CO -0.05 -0.32 1.10 -0.94 -0.31 0.00 0.00 175.10 174.58 1qie s SER 237 N -3.09 4.81 0.39 4.85 1.04 -1.26 -2.07 113.70 118.37 1qie s SER 237 Ca 0.29 1.25 0.11 0.00 0.48 0.00 0.00 55.95 58.07 1qie s SER 237 Cb 0.07 -2.00 0.81 0.00 0.10 0.00 0.00 66.02 65.00 1qie s SER 237 CO 0.05 -1.76 1.91 -0.37 0.98 0.00 0.00 173.24 174.05 1qie h VAL 238 N -0.95 1.18 -0.17 5.02 -1.51 -1.94 -0.26 116.25 117.63 1qie h VAL 238 Ca -0.46 -0.83 -0.02 0.00 -1.23 0.00 0.00 66.70 64.15 1qie h VAL 238 Cb 1.26 1.31 -0.01 0.00 -2.13 0.00 0.00 31.29 31.73 1qie h VAL 238 CO 0.61 0.25 0.01 0.00 -1.23 0.00 0.00 177.57 177.21 1qie h ALA 239 N 1.67 0.22 -0.19 5.19 0.00 -1.94 -0.17 119.26 124.04 1qie h ALA 239 Ca 0.03 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1qie h ALA 239 Cb 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1qie h ALA 239 CO 0.03 -0.09 -0.41 1.49 0.00 0.00 0.00 179.25 180.27 1qie h GLU 240 N 0.05 0.43 -0.31 0.00 4.57 -1.84 -1.03 114.58 116.45 1qie h GLU 240 Ca 0.05 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 1qie h GLU 240 Cb 0.34 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1qie h GLU 240 CO 0.01 0.77 0.16 0.78 -1.18 0.00 0.00 179.01 179.55 1qie h GLY 241 N 1.13 0.48 0.97 1.92 0.00 -0.90 -1.11 103.07 105.56 1qie h GLY 241 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1qie h GLY 241 CO 0.07 0.22 -0.00 -0.09 0.00 0.00 0.00 176.54 176.73 1qie h ARG 242 N 0.38 -0.00 -0.64 4.80 2.43 -0.82 -1.24 114.38 119.29 1qie h ARG 242 Ca 0.11 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.37 1qie h ARG 242 Cb 0.09 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 1qie h ARG 242 CO -0.02 -0.00 0.27 -0.09 -1.51 0.00 0.00 179.97 178.62 1qie h ARG 243 N -0.00 0.46 -0.16 0.20 2.43 -0.98 -1.27 114.38 115.06 1qie h ARG 243 Ca 0.01 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 1qie h ARG 243 Cb 0.01 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1qie h ARG 243 CO -0.01 0.31 -0.39 0.00 -1.51 0.00 0.00 179.97 178.36 1qie h ARG 244 N 0.48 0.35 -0.53 0.20 3.08 -0.92 -1.49 114.38 115.54 1qie h ARG 244 Ca 0.32 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 1qie h ARG 244 Cb 0.37 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1qie h ARG 244 CO -0.29 0.69 0.08 0.00 -1.07 0.00 0.00 179.97 179.37 1qie h ALA 245 N 1.30 0.71 -0.34 0.04 0.00 -0.47 -0.89 119.26 119.61 1qie h ALA 245 Ca 0.03 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1qie h ALA 245 Cb 0.82 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1qie h ALA 245 CO 0.07 0.46 -0.19 0.28 0.00 0.00 0.00 179.25 179.86 1qie h VAL 246 N 0.78 1.29 -0.48 0.00 2.07 -1.11 -2.22 116.25 116.57 1qie h VAL 246 Ca 0.16 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 1qie h VAL 246 Cb 0.42 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1qie h VAL 246 CO 0.01 0.43 0.09 -0.08 0.02 0.00 0.00 177.57 178.05 1qie h GLU 247 N 0.50 0.73 -0.47 1.57 4.57 -1.17 -0.12 114.58 120.20 1qie h GLU 247 Ca 0.07 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1qie h GLU 247 Cb 0.74 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 1qie h GLU 247 CO 0.06 0.68 0.25 1.25 -1.18 0.00 0.00 179.01 180.06 1qie h LEU 248 N 0.71 0.59 -1.41 1.64 5.85 -0.97 -1.38 115.31 120.34 1qie h LEU 248 Ca 0.16 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1qie h LEU 248 Cb 0.30 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1qie h LEU 248 CO 0.00 0.52 0.05 1.23 -0.34 0.00 0.00 178.44 179.90 1qie h GLY 249 N 0.61 0.47 2.00 3.75 0.00 -0.74 -1.78 103.07 107.39 1qie h GLY 249 Ca 0.16 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 1qie h GLY 249 CO -0.02 0.23 -0.43 -0.09 0.00 0.00 0.00 176.54 176.23 1qie h ARG 250 N 0.44 0.00 0.00 4.80 2.43 -0.19 0.29 114.38 122.14 1qie h ARG 250 Ca 0.10 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1qie h ARG 250 Cb 0.21 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1qie h ARG 250 CO -0.00 0.43 -0.11 -0.91 -1.51 0.00 0.00 179.97 177.86 1qie h ASN 251 N 0.00 0.00 -0.33 -3.80 2.35 -0.38 -3.02 115.58 110.40 1qie h ASN 251 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1qie h ASN 251 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.14 1qie h ASN 251 CO 0.06 0.11 0.00 0.18 -1.65 0.00 0.00 177.43 176.13 1qie n LEU 252 N -3.17 4.17 -3.73 1.61 4.77 -1.05 -4.98 117.00 114.63 1qie n LEU 252 Ca 0.02 -2.92 -0.30 0.00 -0.03 0.00 0.00 56.01 52.78 1qie n LEU 252 Cb 0.48 -0.55 0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1qie n LEU 252 CO 0.33 0.67 -0.10 0.59 -1.33 0.00 0.00 177.39 177.55 1qie n ASN 253 N -0.20 -4.25 -4.95 -1.43 3.02 -0.95 -4.97 115.26 101.53 1qie n ASN 253 Ca 0.22 -1.01 -0.24 0.00 -0.03 0.00 0.00 54.58 53.53 1qie n ASN 253 Cb 0.92 -3.35 -0.02 0.00 -0.61 0.00 0.00 39.78 36.72 1qie n ASN 253 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qie s ASN 255 N -3.79 6.89 -0.07 0.00 3.84 -1.26 -4.76 114.94 115.79 1qie s ASN 255 Ca 0.37 2.01 0.15 0.00 0.21 0.00 0.00 52.86 55.61 1qie s ASN 255 Cb -0.10 -2.56 0.49 0.00 -0.55 0.00 0.00 41.25 38.53 1qie s ASN 255 CO 0.32 -0.71 1.41 0.18 -2.79 0.00 0.00 177.10 175.50 1qie n LEU 256 N 5.60 3.68 0.12 3.21 4.77 -1.26 -2.93 117.00 130.19 1qie n LEU 256 Ca 0.13 -2.33 0.03 0.00 -0.03 0.00 0.00 56.01 53.81 1qie n LEU 256 Cb 0.44 -0.41 0.40 0.00 -2.33 0.00 0.00 43.42 41.52 1qie n LEU 256 CO 0.58 0.76 0.90 0.78 -1.33 0.00 0.00 177.39 179.08 1qie h ASN 257 N 2.69 0.22 -5.19 -1.43 2.35 -1.96 -3.46 115.58 108.79 1qie h ASN 257 Ca 0.00 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.62 1qie h ASN 257 Cb 1.08 -0.06 -0.13 0.00 0.05 0.00 0.00 38.32 39.26 1qie h ASN 257 CO 0.10 0.37 -0.33 -0.94 -1.65 0.00 0.00 177.43 174.98 1qie s SER 258 N -6.88 0.07 0.20 5.81 1.04 -1.26 -5.02 113.70 107.66 1qie s SER 258 Ca -0.05 -0.72 -0.10 0.00 0.48 0.00 0.00 55.95 55.56 1qie s SER 258 Cb 0.15 0.38 0.14 0.00 0.10 0.00 0.00 66.02 66.80 1qie s SER 258 CO 0.73 -0.80 1.83 0.44 0.98 0.00 0.00 173.24 176.42 1qie h ASP 259 N 2.65 0.90 -0.67 7.02 3.32 -1.94 -0.62 116.42 127.07 1qie h ASP 259 Ca -0.33 -0.08 0.10 0.00 0.02 0.00 0.00 57.03 56.74 1qie h ASP 259 Cb 1.21 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 40.46 1qie h ASP 259 CO 0.53 0.71 0.29 -0.33 -1.72 0.00 0.00 179.24 178.72 1qie h GLU 260 N 1.01 0.47 0.29 3.56 3.07 -1.97 0.27 114.58 121.27 1qie h GLU 260 Ca 0.26 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 1qie h GLU 260 Cb -0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 1qie h GLU 260 CO -0.05 0.31 -0.14 1.49 -1.40 0.00 0.00 179.01 179.23 1qie h GLU 261 N 0.48 -0.37 0.15 2.33 4.57 -1.70 -1.84 114.58 118.21 1qie h GLU 261 Ca 0.34 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.54 1qie h GLU 261 Cb 0.42 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1qie h GLU 261 CO -0.31 -0.14 -0.10 1.25 -1.18 0.00 0.00 179.01 178.54 1qie h LEU 262 N -0.55 -0.24 -0.34 1.64 5.85 -0.62 -1.67 115.31 119.38 1qie h LEU 262 Ca -0.04 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1qie h LEU 262 Cb 0.41 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1qie h LEU 262 CO 0.06 -0.16 0.21 0.40 -0.34 0.00 0.00 178.44 178.61 1qie h ILE 263 N -0.24 1.05 -0.69 4.05 2.04 -0.53 -0.42 117.51 122.77 1qie h ILE 263 Ca -0.01 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.73 1qie h ILE 263 Cb 0.21 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1qie h ILE 263 CO 0.01 0.08 0.43 -0.74 0.00 0.00 0.00 178.15 177.93 1qie h HIS 264 N 0.42 0.80 -0.72 1.37 2.76 -1.26 -0.74 115.15 117.78 1qie h HIS 264 Ca 0.13 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.26 1qie h HIS 264 Cb -0.02 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 28.65 1qie h HIS 264 CO -0.07 0.45 0.19 0.00 -1.30 0.00 0.00 177.93 177.20 1qie h LEU 266 N 1.08 0.03 -0.39 0.00 3.38 -0.42 -2.59 115.31 116.39 1qie h LEU 266 Ca 0.23 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1qie h LEU 266 Cb 0.35 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1qie h LEU 266 CO -0.00 0.44 0.00 0.54 0.09 0.00 0.00 178.44 179.51 1qie n ARG 267 N -4.04 0.22 0.00 1.13 1.74 -0.35 -2.62 116.66 112.75 1qie n ARG 267 Ca -0.02 0.33 0.12 0.00 -0.77 0.00 0.00 57.85 57.52 1qie n ARG 267 Cb 0.45 -1.84 0.32 0.00 -1.02 0.00 0.00 32.46 30.37 1qie n ARG 267 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1qie n GLU 268 N -2.25 0.12 -2.95 5.56 -0.58 -0.98 -4.91 120.64 114.66 1qie n GLU 268 Ca 0.04 -0.06 -0.34 0.00 -0.42 0.00 0.00 57.16 56.37 1qie n GLU 268 Cb 0.32 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.62 1qie n GLU 268 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1qie s LYS 269 N -2.93 4.27 0.73 3.49 -0.14 -1.08 -5.05 119.74 119.03 1qie s LYS 269 Ca 0.13 1.01 -0.12 0.00 -1.36 0.00 0.00 55.97 55.63 1qie s LYS 269 Cb 0.18 -2.54 0.03 0.00 -1.68 0.00 0.00 37.83 33.82 1qie s LYS 269 CO 0.65 0.18 1.10 0.15 -0.76 0.00 0.00 175.35 176.67 1qie s LYS 270 N -2.60 2.50 0.13 1.68 1.02 -1.26 -4.94 119.74 116.28 1qie s LYS 270 Ca 0.53 1.23 -0.19 0.00 0.02 0.00 0.00 55.97 57.56 1qie s LYS 270 Cb -0.13 -1.92 -0.01 0.00 -0.52 0.00 0.00 37.83 35.25 1qie s LYS 270 CO 0.18 -1.46 1.71 -1.35 -0.92 0.00 0.00 175.35 173.51 1qie h PRO 271 N -0.67 0.04 -0.00 -1.68 0.11 -1.97 -2.45 132.00 125.37 1qie h PRO 271 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1qie h PRO 271 Cb 1.23 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1qie h PRO 271 CO 0.53 0.02 0.07 0.37 -0.21 0.00 0.00 178.00 178.78 1qie h GLN 272 N 0.04 0.00 -0.11 1.05 5.75 -1.99 -1.84 115.11 118.01 1qie h GLN 272 Ca 0.11 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.42 1qie h GLN 272 Cb 0.16 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.71 1qie h GLN 272 CO -0.21 0.00 -0.74 0.93 -2.65 0.00 0.00 178.83 176.16 1qie h GLU 273 N 0.00 0.55 -0.17 1.69 5.08 -1.80 -1.18 114.58 118.74 1qie h GLU 273 Ca 0.00 -0.44 -0.16 0.00 -1.00 0.00 0.00 59.36 57.76 1qie h GLU 273 Cb 0.14 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1qie h GLU 273 CO -0.00 1.07 -0.51 -0.07 -1.00 0.00 0.00 179.01 178.50 1qie h LEU 274 N 0.37 0.75 -1.12 1.33 4.07 -1.41 -3.25 115.31 116.05 1qie h LEU 274 Ca -0.04 -0.59 -0.02 0.00 0.08 0.00 0.00 57.88 57.31 1qie h LEU 274 Cb 1.33 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.82 1qie h LEU 274 CO 0.14 1.20 0.31 0.40 -1.08 0.00 0.00 178.44 179.41 1qie h ILE 275 N 0.33 1.21 0.00 1.22 2.04 -1.42 -1.34 117.51 119.55 1qie h ILE 275 Ca -0.01 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1qie h ILE 275 Cb 1.13 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1qie h ILE 275 CO 0.11 0.25 0.00 0.44 0.00 0.00 0.00 178.15 178.95 1qie h ASP 276 N 0.92 0.00 0.00 1.72 3.32 -1.24 -3.06 116.42 118.08 1qie h ASP 276 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1qie h ASP 276 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1qie h ASP 276 CO -0.03 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.82 1qie n VAL 277 N -2.85 0.00 -0.28 -1.35 0.24 -1.05 -4.81 118.33 108.23 1qie n VAL 277 Ca -0.01 -0.43 0.07 0.00 -2.04 0.00 0.00 64.34 61.93 1qie n VAL 277 Cb 0.16 1.13 0.18 0.00 -1.47 0.00 0.00 33.84 33.84 1qie n VAL 277 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1qie h GLU 278 N 0.00 0.07 0.00 7.34 4.81 -1.14 -0.81 114.58 124.84 1qie h GLU 278 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qie h GLU 278 Cb 0.07 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1qie h GLU 278 CO 0.00 0.04 0.00 0.91 -0.73 0.00 0.00 179.01 179.23 1qie n TRP 279 N -5.41 0.00 1.39 0.92 7.02 -1.26 -3.38 117.44 116.72 1qie n TRP 279 Ca 0.16 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.77 1qie n TRP 279 Cb 0.53 -0.47 0.72 0.00 -2.42 0.00 0.00 31.31 29.67 1qie n TRP 279 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1qie n ASN 280 N -1.47 0.00 -0.54 -0.99 3.02 -0.31 -3.69 115.26 111.28 1qie n ASN 280 Ca 0.05 -0.28 0.12 0.00 -0.03 0.00 0.00 54.58 54.44 1qie n ASN 280 Cb 0.20 -0.22 0.11 0.00 -0.61 0.00 0.00 39.78 39.26 1qie n ASN 280 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1qie n VAL 281 N -1.22 0.00 -1.75 2.41 0.24 -1.22 -4.95 118.33 111.84 1qie n VAL 281 Ca 0.15 -0.28 -0.41 0.00 -2.04 0.00 0.00 64.34 61.75 1qie n VAL 281 Cb 0.19 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.67 1qie n VAL 281 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1qie n LEU 282 N 0.14 4.53 0.13 1.34 4.77 -1.24 -4.82 117.00 121.85 1qie n LEU 282 Ca 0.11 1.20 -0.01 0.00 -0.03 0.00 0.00 56.01 57.27 1qie n LEU 282 Cb 0.47 -1.58 0.14 0.00 -2.33 0.00 0.00 43.42 40.12 1qie n LEU 282 CO 0.25 -0.09 0.46 1.55 -1.33 0.00 0.00 177.39 178.23 1qie h PRO 283 N 2.68 0.00 -5.45 3.23 0.13 -1.95 -3.46 132.00 127.18 1qie h PRO 283 Ca -0.50 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.21 1qie h PRO 283 Cb 1.26 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.25 1qie h PRO 283 CO 0.63 0.65 -0.72 -0.06 -0.23 0.00 0.00 178.00 178.26 1qie s PHE 284 N -3.47 1.65 -0.16 1.56 0.08 -1.26 -5.08 117.98 111.30 1qie s PHE 284 Ca -0.01 -0.64 -0.29 0.00 0.12 0.00 0.00 56.93 56.11 1qie s PHE 284 Cb 0.12 -0.81 -0.03 0.00 -0.57 0.00 0.00 43.02 41.74 1qie s PHE 284 CO 0.76 0.28 1.44 0.34 -0.10 0.00 0.00 175.22 177.95 1qie s ASP 285 N -3.30 6.73 0.32 1.36 -1.08 -1.26 -4.92 116.67 114.51 1qie s ASP 285 Ca 0.22 1.77 -0.15 0.00 -0.52 0.00 0.00 52.55 53.88 1qie s ASP 285 Cb 0.01 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.96 1qie s ASP 285 CO 0.06 -0.94 0.66 -0.94 0.52 0.00 0.00 175.17 174.54 1qie s SER 286 N 2.87 0.03 0.10 -0.34 1.04 -1.26 -4.69 113.70 111.45 1qie s SER 286 Ca 0.63 -0.98 0.08 0.00 0.48 0.00 0.00 55.95 56.16 1qie s SER 286 Cb -0.25 0.73 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 1qie s SER 286 CO 0.22 -1.42 -0.20 -0.51 0.98 0.00 0.00 173.24 172.32 1qie s ILE 287 N -3.27 1.63 -1.46 -1.02 2.07 -0.93 -4.78 121.20 113.44 1qie s ILE 287 Ca 0.18 -1.52 -0.08 0.00 -1.41 0.00 0.00 60.65 57.81 1qie s ILE 287 Cb -0.04 -1.50 0.03 0.00 0.13 0.00 0.00 42.46 41.09 1qie s ILE 287 CO 0.11 -0.09 0.76 0.33 -1.91 0.00 0.00 174.94 174.14 1qie n PHE 288 N 1.09 -2.18 -4.31 3.50 -0.00 -1.26 -4.81 117.46 109.49 1qie n PHE 288 Ca -0.20 0.68 -0.21 0.00 -0.00 0.00 0.00 57.45 57.72 1qie n PHE 288 Cb 0.54 -4.20 -0.16 0.00 -0.00 0.00 0.00 39.48 35.65 1qie n PHE 288 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1qie s ARG 289 N -6.05 1.07 0.07 -4.13 1.81 -1.26 -4.67 118.95 105.79 1qie s ARG 289 Ca 0.44 -0.22 0.09 0.00 -1.72 0.00 0.00 55.73 54.32 1qie s ARG 289 Cb -0.21 -0.98 -0.03 0.00 -0.45 0.00 0.00 34.95 33.27 1qie s ARG 289 CO 0.55 -0.02 -0.21 -0.06 -0.68 0.00 0.00 175.30 174.88 1qie s PHE 290 N 0.72 2.47 0.04 -0.53 0.08 -1.26 -5.05 117.98 114.44 1qie s PHE 290 Ca -0.11 -0.31 -0.27 0.00 0.12 0.00 0.00 56.93 56.36 1qie s PHE 290 Cb -0.14 -1.39 -0.15 0.00 -0.57 0.00 0.00 43.02 40.78 1qie s PHE 290 CO 0.01 0.28 1.38 0.77 -0.10 0.00 0.00 175.22 177.56 1qie h SER 291 N 4.28 -0.82 -3.54 1.36 0.02 -1.91 -3.42 113.55 109.53 1qie h SER 291 Ca -0.48 0.03 -0.71 0.00 -0.84 0.00 0.00 61.79 59.79 1qie h SER 291 Cb 1.16 0.21 -0.29 0.00 0.14 0.00 0.00 62.40 63.62 1qie h SER 291 CO 0.45 -0.58 -0.53 -0.36 -1.14 0.00 0.00 176.83 174.67 1qie s PHE 292 N -5.07 3.34 0.34 3.45 0.08 -1.26 -5.00 117.98 113.86 1qie s PHE 292 Ca -0.14 -1.62 0.03 0.00 0.12 0.00 0.00 56.93 55.32 1qie s PHE 292 Cb 0.01 -2.73 -0.04 0.00 -0.57 0.00 0.00 43.02 39.69 1qie s PHE 292 CO 0.42 -0.82 0.13 0.14 -0.10 0.00 0.00 175.22 174.99 1qie s VAL 293 N 1.37 0.58 0.68 -0.44 -7.23 -1.26 -4.44 120.40 109.66 1qie s VAL 293 Ca 0.02 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.02 1qie s VAL 293 Cb -0.22 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 1qie s VAL 293 CO 0.01 0.00 0.87 -2.65 -0.31 0.00 0.00 175.10 173.03 1qie n PRO 294 N -0.70 0.60 -4.78 4.82 -0.02 -1.23 -4.70 135.00 128.98 1qie n PRO 294 Ca -0.02 0.25 -0.25 0.00 -2.02 0.00 0.00 63.50 61.47 1qie n PRO 294 Cb 0.65 -2.12 -0.16 0.00 -0.02 0.00 0.00 33.50 31.86 1qie n PRO 294 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qie s VAL 295 N -1.72 1.33 -0.83 -1.45 0.11 -1.26 -1.28 120.40 115.29 1qie s VAL 295 Ca 0.73 -0.69 -0.25 0.00 -2.93 0.00 0.00 61.98 58.84 1qie s VAL 295 Cb -0.37 -1.12 -0.02 0.00 -1.53 0.00 0.00 36.38 33.33 1qie s VAL 295 CO 0.50 0.38 1.82 -0.63 -3.33 0.00 0.00 175.10 173.84 1qie s ILE 296 N -0.17 3.50 -0.81 7.04 -1.09 -0.88 -4.77 121.20 124.03 1qie s ILE 296 Ca 0.02 -0.22 0.22 0.00 -2.23 0.00 0.00 60.65 58.43 1qie s ILE 296 Cb -0.09 -4.19 -0.20 0.00 -1.58 0.00 0.00 42.46 36.40 1qie s ILE 296 CO 0.01 -1.13 0.91 -0.90 -1.23 0.00 0.00 174.94 172.60 1qie n ASP 297 N 12.68 0.75 0.00 3.58 5.75 -1.26 -4.17 116.55 133.88 1qie n ASP 297 Ca 0.32 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 54.43 1qie n ASP 297 Cb 0.49 1.03 0.00 0.00 -1.03 0.00 0.00 41.12 41.61 1qie n ASP 297 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qie n GLY 298 N 1.45 0.82 0.96 6.12 0.00 -0.56 -4.87 105.19 109.10 1qie n GLY 298 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 1qie n GLY 298 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qie n GLU 299 N -2.00 0.00 -0.29 1.61 1.02 -1.26 -4.48 120.64 115.24 1qie n GLU 299 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1qie n GLU 299 Cb 0.00 -0.05 0.07 0.00 -0.02 0.00 0.00 31.44 31.43 1qie n GLU 299 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1qie h PHE 300 N -0.00 1.22 -3.69 -0.32 3.04 -1.92 -3.35 116.94 111.92 1qie h PHE 300 Ca 0.00 -0.10 -0.68 0.00 3.98 0.00 0.00 57.97 61.17 1qie h PHE 300 Cb 0.00 -0.36 -0.34 0.00 2.56 0.00 0.00 35.95 37.81 1qie h PHE 300 CO -0.00 0.92 -0.67 -0.06 -2.02 0.00 0.00 178.31 176.49 1qie s PHE 301 N -5.53 3.41 0.19 0.41 0.08 -1.26 -4.32 117.98 110.95 1qie s PHE 301 Ca -0.12 -2.16 -0.16 0.00 0.12 0.00 0.00 56.93 54.61 1qie s PHE 301 Cb 0.16 -2.49 0.17 0.00 -0.57 0.00 0.00 43.02 40.28 1qie s PHE 301 CO 0.84 -0.87 1.64 -1.35 -0.10 0.00 0.00 175.22 175.38 1qie h PRO 302 N 7.96 -0.02 0.00 0.24 0.11 -1.79 -1.49 132.00 137.01 1qie h PRO 302 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1qie h PRO 302 Cb 1.05 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1qie h PRO 302 CO 0.57 -0.02 0.00 0.25 -0.21 0.00 0.00 178.00 178.60 1qie n THR 303 N -5.38 0.00 -1.44 -1.15 -2.24 -1.26 -4.43 114.28 98.37 1qie n THR 303 Ca 0.05 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.50 1qie n THR 303 Cb 0.29 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.60 1qie n THR 303 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qie s SER 304 N 0.56 4.36 0.19 3.42 1.04 -1.26 -4.87 113.70 117.13 1qie s SER 304 Ca 0.00 2.20 -0.09 0.00 0.48 0.00 0.00 55.95 58.54 1qie s SER 304 Cb 0.00 -2.57 0.09 0.00 0.10 0.00 0.00 66.02 63.63 1qie s SER 304 CO 0.00 -2.15 1.67 -0.07 0.98 0.00 0.00 173.24 173.67 1qie h LEU 305 N -0.41 1.07 -0.84 2.42 3.38 -1.99 -2.44 115.31 116.51 1qie h LEU 305 Ca -0.47 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.21 1qie h LEU 305 Cb 1.27 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 1qie h LEU 305 CO 0.50 1.09 0.45 -0.08 0.09 0.00 0.00 178.44 180.49 1qie h GLU 306 N 1.02 1.17 -0.07 1.13 4.57 -1.99 0.96 114.58 121.37 1qie h GLU 306 Ca 0.19 -0.14 -0.12 0.00 -1.18 0.00 0.00 59.36 58.11 1qie h GLU 306 Cb 0.50 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1qie h GLU 306 CO 0.02 0.86 -0.50 0.66 -1.18 0.00 0.00 179.01 178.88 1qie h SER 307 N 1.17 0.20 -0.25 1.04 4.64 -1.92 -1.24 113.55 117.19 1qie h SER 307 Ca 0.29 -0.10 -0.06 0.00 -0.47 0.00 0.00 61.79 61.45 1qie h SER 307 Cb 0.04 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1qie h SER 307 CO -0.05 0.67 -0.08 0.24 -0.87 0.00 0.00 176.83 176.74 1qie h MET 308 N 0.15 0.50 -0.39 4.77 2.86 -0.86 -1.73 114.93 120.22 1qie h MET 308 Ca 0.01 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.38 1qie h MET 308 Cb 0.93 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.55 1qie h MET 308 CO 0.07 0.73 -0.03 -0.07 1.06 0.00 0.00 176.91 178.67 1qie h LEU 309 N 0.23 0.62 -0.58 1.22 3.38 -0.71 -1.21 115.31 118.25 1qie h LEU 309 Ca 0.06 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 1qie h LEU 309 Cb 0.56 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1qie h LEU 309 CO 0.03 0.71 -0.63 0.78 0.09 0.00 0.00 178.44 179.42 1qie h ASN 310 N 0.61 0.34 -0.16 -0.43 2.35 -1.11 -3.22 115.58 113.96 1qie h ASN 310 Ca 0.12 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1qie h ASN 310 Cb 0.43 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1qie h ASN 310 CO 0.02 0.88 0.00 -1.54 -1.65 0.00 0.00 177.43 175.14 1qie n SER 311 N -3.86 2.28 -0.71 5.81 3.41 -0.66 -4.92 113.62 114.96 1qie n SER 311 Ca -0.03 -1.78 -0.09 0.00 -0.26 0.00 0.00 58.87 56.72 1qie n SER 311 Cb 0.64 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.46 1qie n SER 311 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qie n GLY 312 N 1.27 0.97 3.39 5.00 0.00 -0.99 -4.91 105.19 109.93 1qie n GLY 312 Ca 0.17 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 1qie n GLY 312 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qie n ASN 313 N 0.55 4.73 -3.59 1.61 5.15 -0.49 -4.83 115.26 118.38 1qie n ASN 313 Ca -0.09 -2.91 -0.05 0.00 -0.60 0.00 0.00 54.58 50.94 1qie n ASN 313 Cb 0.32 -1.72 -0.02 0.00 -0.53 0.00 0.00 39.78 37.83 1qie n ASN 313 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1qie s PHE 314 N 3.89 -0.19 0.19 1.20 -0.12 -1.26 -4.73 117.98 116.96 1qie s PHE 314 Ca 0.52 0.06 -0.32 0.00 -0.05 0.00 0.00 56.93 57.14 1qie s PHE 314 Cb 0.06 0.55 -0.11 0.00 -0.63 0.00 0.00 43.02 42.88 1qie s PHE 314 CO 0.04 -0.44 1.71 0.21 -0.05 0.00 0.00 175.22 176.70 1qie s LYS 315 N -2.81 4.14 -0.34 1.99 2.20 0.19 -4.96 119.74 120.15 1qie s LYS 315 Ca 0.09 2.57 -0.12 0.00 -0.36 0.00 0.00 55.97 58.15 1qie s LYS 315 Cb -0.00 -3.16 -0.01 0.00 -1.51 0.00 0.00 37.83 33.14 1qie s LYS 315 CO -0.05 -0.74 0.23 0.15 -0.36 0.00 0.00 175.35 174.57 1qie s LYS 316 N 1.40 3.45 0.00 4.03 3.01 -1.26 -4.97 119.74 125.40 1qie s LYS 316 Ca 0.75 -0.67 0.00 0.00 -1.01 0.00 0.00 55.97 55.04 1qie s LYS 316 Cb -0.48 -3.77 0.00 0.00 -1.01 0.00 0.00 37.83 32.57 1qie s LYS 316 CO 0.32 -0.45 0.00 -2.37 0.51 0.00 0.00 175.35 173.36 1qie n THR 317 N 5.08 0.00 -3.94 2.17 5.66 -1.26 -4.82 114.28 117.17 1qie n THR 317 Ca -0.13 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.55 1qie n THR 317 Cb 0.49 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.23 1qie n THR 317 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1qie s GLN 318 N 1.17 3.35 0.03 1.09 1.11 -1.26 -1.24 119.66 123.91 1qie s GLN 318 Ca 0.00 -0.40 0.01 0.00 0.01 0.00 0.00 55.36 54.98 1qie s GLN 318 Cb 0.00 -3.03 -0.02 0.00 -1.01 0.00 0.00 33.01 28.95 1qie s GLN 318 CO 0.00 0.65 -0.04 0.96 0.01 0.00 0.00 175.29 176.86 1qie s ILE 319 N -1.36 0.23 -0.07 1.08 -4.36 -0.13 -3.12 121.20 113.46 1qie s ILE 319 Ca 0.29 -0.93 0.02 0.00 -0.26 0.00 0.00 60.65 59.77 1qie s ILE 319 Cb -0.13 -0.35 0.01 0.00 1.25 0.00 0.00 42.46 43.25 1qie s ILE 319 CO 0.21 -0.45 -0.12 -0.22 0.24 0.00 0.00 174.94 174.60 1qie s LEU 320 N -1.44 1.60 0.23 0.37 0.20 -0.67 -1.54 118.68 117.43 1qie s LEU 320 Ca -0.14 -0.31 -0.20 0.00 0.69 0.00 0.00 54.13 54.18 1qie s LEU 320 Cb -0.10 -0.85 0.03 0.00 -0.43 0.00 0.00 46.19 44.85 1qie s LEU 320 CO -0.01 0.02 0.62 -1.48 -0.29 0.00 0.00 176.35 175.21 1qie s LEU 321 N 0.80 -0.19 0.00 -0.68 2.34 -0.17 -0.97 118.68 119.81 1qie s LEU 321 Ca -0.12 -0.46 -0.16 0.00 0.06 0.00 0.00 54.13 53.45 1qie s LEU 321 Cb -0.15 2.46 0.05 0.00 -0.56 0.00 0.00 46.19 47.99 1qie s LEU 321 CO 0.02 -1.16 0.70 0.61 -1.06 0.00 0.00 176.35 175.46 1qie n GLY 322 N -0.40 0.23 3.28 -3.48 0.00 -0.99 -1.60 105.19 102.23 1qie n GLY 322 Ca -0.08 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 1qie n GLY 322 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qie s VAL 323 N -2.00 0.28 0.15 1.61 -7.23 -1.12 -0.80 120.40 111.29 1qie s VAL 323 Ca 0.17 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.36 1qie s VAL 323 Cb -0.00 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 1qie s VAL 323 CO -0.01 0.00 0.27 0.20 -0.31 0.00 0.00 175.10 175.25 1qie s ASN 324 N -3.28 6.29 0.22 4.85 0.01 -1.26 -0.49 114.94 121.28 1qie s ASN 324 Ca 0.38 0.15 -0.08 0.00 -0.71 0.00 0.00 52.86 52.60 1qie s ASN 324 Cb 0.06 -1.88 0.22 0.00 0.41 0.00 0.00 41.25 40.07 1qie s ASN 324 CO 0.15 0.05 1.88 0.50 -1.51 0.00 0.00 177.10 178.17 1qie h LYS 325 N 2.16 1.02 -2.24 -0.60 3.64 -1.40 -3.32 116.57 115.83 1qie h LYS 325 Ca -0.48 -0.06 -0.58 0.00 -1.27 0.00 0.00 60.65 58.25 1qie h LYS 325 Cb 1.19 -0.23 -0.42 0.00 -0.41 0.00 0.00 32.23 32.37 1qie h LYS 325 CO 0.68 0.67 -0.70 -0.25 -2.27 0.00 0.00 179.45 177.59 1qie n ASP 326 N -4.56 3.93 -0.04 4.20 8.00 -0.72 -4.91 116.55 122.45 1qie n ASP 326 Ca 0.09 -3.56 0.17 0.00 0.71 0.00 0.00 54.79 52.20 1qie n ASP 326 Cb 0.07 -0.59 0.61 0.00 -0.02 0.00 0.00 41.12 41.19 1qie n ASP 326 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1qie h GLU 327 N 3.20 0.16 0.00 -1.24 4.39 -1.73 -3.19 114.58 116.18 1qie h GLU 327 Ca 0.14 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1qie h GLU 327 Cb 0.58 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1qie h GLU 327 CO 0.78 0.10 -0.60 0.78 -1.16 0.00 0.00 179.01 178.92 1qie h GLY 328 N 0.16 0.00 0.17 -3.84 0.00 -1.85 -3.40 103.07 94.31 1qie h GLY 328 Ca 0.27 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.81 1qie h GLY 328 CO -0.04 0.00 0.62 1.48 0.00 0.00 0.00 176.54 178.60 1qie h SER 329 N 0.00 0.57 -0.67 0.19 4.64 -1.80 -1.95 113.55 114.52 1qie h SER 329 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1qie h SER 329 Cb 0.96 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.98 1qie h SER 329 CO 0.00 0.20 0.43 0.15 -0.87 0.00 0.00 176.83 176.75 1qie h PHE 330 N 0.55 0.86 0.00 4.77 3.04 -1.83 -1.43 116.94 122.90 1qie h PHE 330 Ca 0.53 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.43 1qie h PHE 330 Cb 1.11 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 1qie h PHE 330 CO -0.00 0.55 -0.30 0.74 -2.02 0.00 0.00 178.31 177.28 1qie h PHE 331 N 0.91 0.00 0.17 0.41 -1.00 -1.65 -2.88 116.94 112.90 1qie h PHE 331 Ca 0.24 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.73 1qie h PHE 331 Cb -0.08 0.00 0.03 0.00 3.61 0.00 0.00 35.95 39.51 1qie h PHE 331 CO -0.02 0.30 -1.27 -0.07 -1.61 0.00 0.00 178.31 175.64 1qie h LEU 332 N 0.00 0.83 -0.76 1.54 3.38 -1.30 -1.99 115.31 117.01 1qie h LEU 332 Ca -0.00 -0.87 0.07 0.00 0.09 0.00 0.00 57.88 57.17 1qie h LEU 332 Cb 0.97 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1qie h LEU 332 CO 0.04 1.62 0.43 0.25 0.09 0.00 0.00 178.44 180.87 1qie h LEU 333 N 0.16 0.64 0.06 1.67 5.85 -1.17 -0.48 115.31 122.03 1qie h LEU 333 Ca -0.21 0.04 -0.25 0.00 0.84 0.00 0.00 57.88 58.30 1qie h LEU 333 Cb 1.96 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.89 1qie h LEU 333 CO 0.24 0.39 -1.23 1.88 -0.34 0.00 0.00 178.44 179.39 1qie h TYR 334 N 0.77 0.22 0.00 1.25 -1.99 -1.57 -3.42 116.97 112.23 1qie h TYR 334 Ca 0.35 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.91 1qie h TYR 334 Cb 0.25 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.97 1qie h TYR 334 CO -0.07 1.15 0.00 0.41 -0.00 0.00 0.00 178.16 179.65 1qie n GLY 335 N 1.48 -0.40 3.67 3.88 0.00 -0.75 -5.06 105.19 108.00 1qie n GLY 335 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1qie n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qie s ALA 336 N -0.06 3.39 0.30 4.61 0.00 -0.20 -4.98 121.76 124.82 1qie s ALA 336 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 1qie s ALA 336 Cb 0.00 -1.77 -0.12 0.00 0.00 0.00 0.00 23.12 21.24 1qie s ALA 336 CO 0.00 0.36 1.57 -0.35 0.00 0.00 0.00 175.76 177.34 1qie n PRO 337 N 2.94 2.67 0.00 0.00 -0.04 -1.26 -2.78 135.00 136.53 1qie n PRO 337 Ca -0.18 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1qie n PRO 337 Cb 0.53 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1qie n PRO 337 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qie n GLY 338 N 1.96 3.05 3.77 0.55 0.00 -1.26 -4.88 105.19 108.38 1qie n GLY 338 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1qie n GLY 338 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qie s PHE 339 N -2.82 3.56 0.02 1.61 0.40 -1.12 -4.66 117.98 114.97 1qie s PHE 339 Ca 0.00 0.77 0.01 0.00 -0.60 0.00 0.00 56.93 57.10 1qie s PHE 339 Cb 0.00 -2.34 -0.02 0.00 0.51 0.00 0.00 43.02 41.17 1qie s PHE 339 CO 0.00 0.38 -0.04 -1.12 0.70 0.00 0.00 175.22 175.14 1qie s SER 340 N -0.07 0.42 0.28 1.36 0.01 -1.26 -4.87 113.70 109.57 1qie s SER 340 Ca 0.20 -0.44 0.05 0.00 1.31 0.00 0.00 55.95 57.07 1qie s SER 340 Cb -0.14 0.06 0.40 0.00 0.21 0.00 0.00 66.02 66.55 1qie s SER 340 CO 0.08 -0.22 1.68 0.50 0.41 0.00 0.00 173.24 175.69 1qie h LYS 341 N 4.84 0.32 -0.64 12.44 3.64 -1.98 -3.22 116.57 131.96 1qie h LYS 341 Ca -0.32 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1qie h LYS 341 Cb 1.21 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1qie h LYS 341 CO 0.42 0.67 0.00 -0.25 -2.27 0.00 0.00 179.45 178.03 1qie n ASP 342 N -4.03 5.14 -4.27 4.20 8.00 -1.26 -4.43 116.55 119.91 1qie n ASP 342 Ca -0.01 -2.60 -0.14 0.00 0.71 0.00 0.00 54.79 52.74 1qie n ASP 342 Cb 0.49 -0.62 -0.10 0.00 -0.02 0.00 0.00 41.12 40.86 1qie n ASP 342 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1qie s SER 343 N -0.86 1.12 0.17 -2.24 1.04 -1.22 -5.02 113.70 106.69 1qie s SER 343 Ca 0.53 -1.27 0.19 0.00 0.48 0.00 0.00 55.95 55.88 1qie s SER 343 Cb 0.36 0.16 0.83 0.00 0.10 0.00 0.00 66.02 67.46 1qie s SER 343 CO 0.22 -0.65 1.59 -0.62 0.98 0.00 0.00 173.24 174.76 1qie n GLU 344 N -0.32 0.12 -3.74 4.02 1.02 -1.26 -4.71 120.64 115.76 1qie n GLU 344 Ca -0.03 0.39 -0.23 0.00 -0.02 0.00 0.00 57.16 57.27 1qie n GLU 344 Cb 0.65 -1.74 0.02 0.00 -0.02 0.00 0.00 31.44 30.35 1qie n GLU 344 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1qie n SER 345 N -1.96 -1.42 -4.72 1.62 7.64 -1.26 -4.87 113.62 108.66 1qie n SER 345 Ca 0.02 -0.87 -0.42 0.00 1.01 0.00 0.00 58.87 58.61 1qie n SER 345 Cb 0.18 -3.84 -0.03 0.00 -1.01 0.00 0.00 64.21 59.51 1qie n SER 345 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1qie s LYS 346 N -6.05 4.44 -0.13 1.43 1.02 -1.26 -4.71 119.74 114.48 1qie s LYS 346 Ca 0.05 1.79 -0.05 0.00 0.02 0.00 0.00 55.97 57.77 1qie s LYS 346 Cb -0.01 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1qie s LYS 346 CO 0.83 -0.24 0.07 0.42 -0.92 0.00 0.00 175.35 175.51 1qie s ILE 347 N 0.93 4.92 0.89 2.17 -1.09 -0.83 -4.97 121.20 123.22 1qie s ILE 347 Ca 0.58 -0.01 -0.14 0.00 -2.23 0.00 0.00 60.65 58.86 1qie s ILE 347 Cb -0.30 -3.14 0.14 0.00 -1.58 0.00 0.00 42.46 37.58 1qie s ILE 347 CO 0.30 0.57 1.25 -0.94 -1.23 0.00 0.00 174.94 174.89 1qie s SER 348 N -0.57 3.78 0.20 3.58 1.04 -1.26 -4.19 113.70 116.28 1qie s SER 348 Ca 0.11 0.50 -0.08 0.00 0.48 0.00 0.00 55.95 56.96 1qie s SER 348 Cb -0.12 -0.76 0.13 0.00 0.10 0.00 0.00 66.02 65.37 1qie s SER 348 CO 0.02 -2.33 1.70 0.03 0.98 0.00 0.00 173.24 173.63 1qie h ARG 349 N -1.35 1.09 0.39 4.02 2.47 -1.92 -1.38 114.38 117.69 1qie h ARG 349 Ca -0.45 -0.29 -0.00 0.00 -1.26 0.00 0.00 59.98 57.97 1qie h ARG 349 Cb 1.28 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 29.45 1qie h ARG 349 CO 0.51 1.00 -0.43 0.93 0.56 0.00 0.00 179.97 182.55 1qie h GLU 350 N 1.01 -0.81 0.00 0.04 4.39 -1.98 -2.37 114.58 114.85 1qie h GLU 350 Ca 0.20 0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.93 1qie h GLU 350 Cb 0.45 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1qie h GLU 350 CO 0.01 -0.54 -0.12 -0.44 -1.16 0.00 0.00 179.01 176.76 1qie h ASP 351 N -0.84 0.00 0.33 1.42 3.32 -1.88 -1.88 116.42 116.89 1qie h ASP 351 Ca -0.03 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1qie h ASP 351 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1qie h ASP 351 CO -0.09 0.12 -0.16 0.15 -1.72 0.00 0.00 179.24 177.55 1qie h PHE 352 N 0.00 -0.41 0.00 4.55 3.57 -0.76 0.17 116.94 124.05 1qie h PHE 352 Ca -0.00 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1qie h PHE 352 Cb 0.47 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1qie h PHE 352 CO 0.00 -0.14 -0.28 0.52 -2.23 0.00 0.00 178.31 176.18 1qie h MET 353 N -0.64 0.00 -0.57 1.11 2.86 -1.31 -0.27 114.93 116.11 1qie h MET 353 Ca -0.05 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 1qie h MET 353 Cb 0.46 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1qie h MET 353 CO 0.07 0.28 -0.07 0.77 1.06 0.00 0.00 176.91 179.03 1qie h SER 354 N 0.00 1.05 -0.28 1.22 0.02 -1.08 -2.48 113.55 112.00 1qie h SER 354 Ca -0.00 -0.33 -0.13 0.00 -0.84 0.00 0.00 61.79 60.49 1qie h SER 354 Cb 0.56 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1qie h SER 354 CO 0.04 1.14 -0.27 1.23 -1.14 0.00 0.00 176.83 177.82 1qie h GLY 355 N 0.95 0.85 1.00 -3.77 0.00 0.32 -2.79 103.07 99.63 1qie h GLY 355 Ca 0.15 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 1qie h GLY 355 CO 0.04 0.70 0.34 -2.08 0.00 0.00 0.00 176.54 175.54 1qie h VAL 356 N 0.67 1.21 -0.92 4.60 2.07 -0.92 -0.31 116.25 122.65 1qie h VAL 356 Ca 0.08 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1qie h VAL 356 Cb 0.80 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1qie h VAL 356 CO 0.07 0.24 0.56 0.50 0.02 0.00 0.00 177.57 178.95 1qie h LYS 357 N 0.90 1.25 -0.07 1.57 1.63 -1.36 -1.81 116.57 118.68 1qie h LYS 357 Ca 0.23 -0.11 -0.14 0.00 -0.85 0.00 0.00 60.65 59.78 1qie h LYS 357 Cb 0.07 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.42 1qie h LYS 357 CO -0.03 0.87 -0.58 -0.07 -3.45 0.00 0.00 179.45 176.18 1qie h LEU 358 N 1.27 0.25 -0.20 5.20 4.07 -1.17 -3.15 115.31 121.58 1qie h LEU 358 Ca 0.33 -0.14 -0.15 0.00 0.08 0.00 0.00 57.88 58.00 1qie h LEU 358 Cb -0.06 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1qie h LEU 358 CO -0.06 0.78 -0.70 0.28 -1.08 0.00 0.00 178.44 177.66 1qie h SER 359 N 0.17 0.00 -2.11 -0.43 0.02 -0.53 -2.48 113.55 108.20 1qie h SER 359 Ca -0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1qie h SER 359 Cb 1.08 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.21 1qie h SER 359 CO 0.09 0.70 -0.87 0.52 -1.14 0.00 0.00 176.83 176.13 1qie n VAL 360 N -3.38 0.97 -0.16 2.27 0.31 -0.73 -4.90 118.33 112.71 1qie n VAL 360 Ca 0.01 -4.72 0.16 0.00 -0.01 0.00 0.00 64.34 59.78 1qie n VAL 360 Cb 0.78 -1.76 0.52 0.00 -0.91 0.00 0.00 33.84 32.47 1qie n VAL 360 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1qie h PRO 361 N 3.84 0.37 0.00 5.55 0.13 -1.70 -2.18 132.00 138.00 1qie h PRO 361 Ca 0.13 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1qie h PRO 361 Cb 0.76 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1qie h PRO 361 CO 0.65 0.24 0.00 -2.39 -0.23 0.00 0.00 178.00 176.27 1qie n HIS 362 N -4.47 0.00 -3.20 1.56 1.44 -1.26 -4.89 115.22 104.40 1qie n HIS 362 Ca 0.15 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.47 1qie n HIS 362 Cb 0.56 -0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.61 1qie n HIS 362 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qie s ALA 363 N -2.01 3.54 0.98 1.59 0.00 -0.82 -5.08 121.76 119.95 1qie s ALA 363 Ca 0.47 0.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.37 1qie s ALA 363 Cb 0.22 -2.72 0.21 0.00 0.00 0.00 0.00 23.12 20.82 1qie s ALA 363 CO 0.37 0.32 1.31 0.54 0.00 0.00 0.00 175.76 178.29 1qie s ASN 364 N -0.87 2.95 0.23 0.00 2.20 -1.26 -4.72 114.94 113.47 1qie s ASN 364 Ca 0.31 0.30 -0.06 0.00 -0.94 0.00 0.00 52.86 52.46 1qie s ASN 364 Cb -0.20 -0.36 0.32 0.00 -2.00 0.00 0.00 41.25 39.02 1qie s ASN 364 CO 0.20 -2.84 1.82 0.44 -2.94 0.00 0.00 177.10 173.78 1qie h ASP 365 N -1.72 0.66 -0.94 3.54 5.19 -1.99 -0.85 116.42 120.31 1qie h ASP 365 Ca -0.44 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.01 1qie h ASP 365 Cb 1.24 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 40.61 1qie h ASP 365 CO 0.38 0.40 0.61 0.25 -3.12 0.00 0.00 179.24 177.76 1qie h LEU 366 N 0.79 1.09 -0.16 1.55 5.85 -1.99 -1.08 115.31 121.35 1qie h LEU 366 Ca 0.35 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1qie h LEU 366 Cb 0.25 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1qie h LEU 366 CO -0.21 0.80 0.07 1.23 -0.34 0.00 0.00 178.44 180.00 1qie h GLY 367 N 1.28 0.25 0.70 3.75 0.00 -1.58 -1.05 103.07 106.42 1qie h GLY 367 Ca 0.34 -0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.61 1qie h GLY 367 CO -0.07 0.13 0.55 1.41 0.00 0.00 0.00 176.54 178.55 1qie h LEU 368 N 0.12 0.86 -0.70 3.11 3.38 -0.85 -1.31 115.31 119.91 1qie h LEU 368 Ca 0.05 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1qie h LEU 368 Cb 0.15 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1qie h LEU 368 CO -0.01 0.54 0.18 0.44 0.09 0.00 0.00 178.44 179.68 1qie h ASP 369 N 0.99 1.06 -0.04 -0.43 3.32 -0.90 -1.47 116.42 118.95 1qie h ASP 369 Ca 0.39 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1qie h ASP 369 Cb 0.20 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1qie h ASP 369 CO -0.18 1.02 0.03 0.00 -1.72 0.00 0.00 179.24 178.38 1qie h ALA 370 N 1.09 0.05 0.04 3.45 0.00 -0.14 -0.19 119.26 123.56 1qie h ALA 370 Ca 0.22 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1qie h ALA 370 Cb 0.36 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1qie h ALA 370 CO 0.00 -0.45 -0.10 0.28 0.00 0.00 0.00 179.25 178.98 1qie h VAL 371 N 0.05 0.76 -0.60 0.00 2.07 -1.14 -0.84 116.25 116.54 1qie h VAL 371 Ca 0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.61 1qie h VAL 371 Cb 0.00 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1qie h VAL 371 CO -0.00 0.00 0.27 0.74 0.02 0.00 0.00 177.57 178.60 1qie h THR 372 N -0.19 0.86 -0.56 2.57 2.02 -1.10 -1.26 112.91 115.25 1qie h THR 372 Ca 0.02 -0.17 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 1qie h THR 372 Cb 0.22 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1qie h THR 372 CO -0.07 0.09 0.01 0.25 0.37 0.00 0.00 175.52 176.17 1qie h LEU 373 N 0.50 0.92 -1.66 2.58 5.85 -0.80 -2.07 115.31 120.64 1qie h LEU 373 Ca 0.28 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1qie h LEU 373 Cb 0.27 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1qie h LEU 373 CO -0.24 0.97 -0.15 -0.61 -0.34 0.00 0.00 178.44 178.07 1qie h GLN 374 N 0.88 0.03 -0.26 1.25 5.75 -0.04 -3.12 115.11 119.59 1qie h GLN 374 Ca 0.16 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1qie h GLN 374 Cb 0.50 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1qie h GLN 374 CO 0.02 0.18 0.00 0.66 -2.65 0.00 0.00 178.83 177.04 1qie n TYR 375 N -4.35 0.55 -4.55 3.99 4.02 -0.69 -5.00 117.16 111.14 1qie n TYR 375 Ca -0.02 -0.66 -0.34 0.00 -0.01 0.00 0.00 57.90 56.87 1qie n TYR 375 Cb 0.23 -0.14 -0.12 0.00 -0.02 0.00 0.00 39.34 39.29 1qie n TYR 375 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1qie s THR 376 N -1.74 3.74 -0.56 -0.72 2.01 -0.79 -4.82 115.64 112.76 1qie s THR 376 Ca 0.28 -0.44 -0.17 0.00 0.31 0.00 0.00 61.69 61.67 1qie s THR 376 Cb 0.19 -2.57 0.12 0.00 0.01 0.00 0.00 72.50 70.25 1qie s THR 376 CO 0.11 0.55 0.56 -0.62 -0.69 0.00 0.00 174.62 174.54 1qie s ASP 377 N -0.28 6.19 0.00 3.53 2.15 -1.26 -4.93 116.67 122.07 1qie s ASP 377 Ca 0.04 -1.70 0.13 0.00 0.43 0.00 0.00 52.55 51.45 1qie s ASP 377 Cb -0.13 -2.24 0.72 0.00 -0.30 0.00 0.00 42.92 40.97 1qie s ASP 377 CO 0.02 -0.93 1.28 0.79 -0.17 0.00 0.00 175.17 176.16 1qie n TRP 378 N 5.56 0.00 1.11 -5.34 7.02 -1.26 -1.34 117.44 123.18 1qie n TRP 378 Ca -0.12 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.48 1qie n TRP 378 Cb 0.41 -0.16 0.29 0.00 -2.42 0.00 0.00 31.31 29.43 1qie n TRP 378 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 1qie n MET 379 N -1.16 0.39 -2.72 -0.99 2.81 -1.26 -4.40 117.12 109.80 1qie n MET 379 Ca 0.08 -0.24 -0.08 0.00 -1.81 0.00 0.00 57.70 55.65 1qie n MET 379 Cb 0.08 -1.50 0.10 0.00 -0.71 0.00 0.00 33.22 31.19 1qie n MET 379 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1qie n ASP 380 N -1.10 -1.70 0.28 7.83 2.03 -0.45 -5.01 116.55 118.44 1qie n ASP 380 Ca 0.08 -2.78 0.16 0.00 0.52 0.00 0.00 54.79 52.78 1qie n ASP 380 Cb 0.34 1.08 0.79 0.00 -0.72 0.00 0.00 41.12 42.61 1qie n ASP 380 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1qie h ASP 381 N 2.33 0.00 -0.58 1.67 2.03 -1.58 -2.86 116.42 117.43 1qie h ASP 381 Ca -0.22 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.08 1qie h ASP 381 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1qie h ASP 381 CO 0.03 0.06 0.00 0.59 -1.03 0.00 0.00 179.24 178.89 1qie n ASN 382 N -3.29 4.92 -4.61 4.15 3.02 -1.26 -4.73 115.26 113.46 1qie n ASN 382 Ca -0.01 -2.62 -0.43 0.00 -0.03 0.00 0.00 54.58 51.49 1qie n ASN 382 Cb 0.25 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.78 1qie n ASN 382 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1qie s ASN 383 N -0.80 6.65 0.30 6.41 3.04 -1.08 -4.91 114.94 124.55 1qie s ASN 383 Ca 0.49 0.79 -0.00 0.00 0.04 0.00 0.00 52.86 54.18 1qie s ASN 383 Cb 0.34 -2.54 0.49 0.00 -1.54 0.00 0.00 41.25 38.00 1qie s ASN 383 CO 0.19 -1.18 1.93 1.23 -3.04 0.00 0.00 177.10 176.24 1qie h GLY 384 N 11.11 1.27 1.54 1.21 0.00 -1.90 -1.50 103.07 114.80 1qie h GLY 384 Ca -0.24 -0.43 -0.15 0.00 0.00 0.00 0.00 47.33 46.51 1qie h GLY 384 CO 1.08 0.35 -0.54 -2.22 0.00 0.00 0.00 176.54 175.21 1qie h ILE 385 N 1.07 1.33 -0.33 2.60 2.04 -1.91 -1.25 117.51 121.06 1qie h ILE 385 Ca 0.36 -1.80 -0.17 0.00 1.00 0.00 0.00 64.86 64.25 1qie h ILE 385 Cb 0.08 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1qie h ILE 385 CO -0.12 0.55 -0.46 0.11 0.00 0.00 0.00 178.15 178.23 1qie h LYS 386 N 0.38 0.89 -0.44 2.37 1.57 -1.83 -1.38 116.57 118.12 1qie h LYS 386 Ca 0.01 -0.51 -0.08 0.00 -1.87 0.00 0.00 60.65 58.20 1qie h LYS 386 Cb 1.07 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 1qie h LYS 386 CO 0.10 1.15 -0.04 -0.91 -0.57 0.00 0.00 179.45 179.18 1qie h ASN 387 N 0.70 0.80 -0.06 0.86 2.35 -1.23 0.19 115.58 119.19 1qie h ASN 387 Ca 0.04 -0.33 -0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1qie h ASN 387 Cb 1.06 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.21 1qie h ASN 387 CO 0.11 0.93 0.04 -0.09 -1.65 0.00 0.00 177.43 176.77 1qie h ARG 388 N 0.64 0.08 -0.22 0.81 1.12 -1.17 -1.60 114.38 114.04 1qie h ARG 388 Ca 0.12 -0.01 -0.11 0.00 -1.11 0.00 0.00 59.98 58.88 1qie h ARG 388 Cb 0.55 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.48 1qie h ARG 388 CO 0.03 0.09 -0.32 -0.44 -3.11 0.00 0.00 179.97 176.23 1qie h ASP 389 N 0.04 0.47 -0.66 -3.80 3.32 -1.20 -1.72 116.42 112.88 1qie h ASP 389 Ca 0.02 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1qie h ASP 389 Cb 0.03 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1qie h ASP 389 CO -0.00 0.77 0.38 1.23 -1.72 0.00 0.00 179.24 179.89 1qie h GLY 390 N 1.06 0.97 1.17 2.75 0.00 -0.38 0.02 103.07 108.66 1qie h GLY 390 Ca 0.05 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 1qie h GLY 390 CO 0.06 0.41 -0.09 -2.00 0.00 0.00 0.00 176.54 174.92 1qie h LEU 391 N 0.90 0.98 -0.33 3.11 5.85 -1.12 -0.93 115.31 123.77 1qie h LEU 391 Ca 0.23 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1qie h LEU 391 Cb 0.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1qie h LEU 391 CO -0.04 1.08 0.20 -0.78 -0.34 0.00 0.00 178.44 178.56 1qie h ASP 392 N 0.88 0.39 -0.65 1.25 1.82 -0.81 -1.94 116.42 117.37 1qie h ASP 392 Ca 0.14 -0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.73 1qie h ASP 392 Cb 0.63 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.52 1qie h ASP 392 CO 0.04 0.31 0.35 0.44 -1.61 0.00 0.00 179.24 178.78 1qie h ASP 393 N 0.43 0.81 0.20 2.28 3.32 -0.70 -2.07 116.42 120.69 1qie h ASP 393 Ca 0.12 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1qie h ASP 393 Cb -0.01 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 1qie h ASP 393 CO -0.02 0.68 -0.27 0.40 -1.72 0.00 0.00 179.24 178.31 1qie h ILE 394 N 0.89 0.42 -0.40 0.35 2.04 -0.82 0.38 117.51 120.37 1qie h ILE 394 Ca 0.23 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.14 1qie h ILE 394 Cb 0.05 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 1qie h ILE 394 CO -0.04 0.00 0.13 0.58 0.00 0.00 0.00 178.15 178.82 1qie h VAL 395 N -0.53 0.87 -0.31 1.67 2.07 -1.25 -0.53 116.25 118.24 1qie h VAL 395 Ca 0.01 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 1qie h VAL 395 Cb 0.51 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1qie h VAL 395 CO -0.10 0.05 -0.11 1.23 0.02 0.00 0.00 177.57 178.66 1qie h GLY 396 N 0.28 0.66 0.79 2.17 0.00 -1.13 -1.62 103.07 104.23 1qie h GLY 396 Ca 0.18 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1qie h GLY 396 CO -0.20 0.52 0.00 -0.55 0.00 0.00 0.00 176.54 176.32 1qie h ASP 397 N 0.37 0.02 -0.33 0.19 3.32 -0.05 0.10 116.42 120.06 1qie h ASP 397 Ca 0.07 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 1qie h ASP 397 Cb 0.61 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1qie h ASP 397 CO 0.04 0.23 0.05 -0.74 -1.72 0.00 0.00 179.24 177.10 1qie h HIS 398 N -0.19 0.59 0.00 4.55 2.76 -1.17 0.23 115.15 121.92 1qie h HIS 398 Ca 0.01 -0.08 -0.16 0.00 -2.20 0.00 0.00 60.37 57.93 1qie h HIS 398 Cb 0.22 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 1qie h HIS 398 CO -0.00 0.63 -1.23 -0.91 -1.30 0.00 0.00 177.93 175.12 1qie h ASN 399 N 0.38 0.00 0.00 3.26 2.35 -1.33 -3.41 115.58 116.82 1qie h ASN 399 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1qie h ASN 399 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1qie h ASN 399 CO 0.01 0.60 0.00 0.52 -1.65 0.00 0.00 177.43 176.91 1qie n VAL 400 N -2.98 0.53 0.46 2.81 0.31 0.17 -4.66 118.33 114.97 1qie n VAL 400 Ca -0.07 0.18 -0.20 0.00 -0.01 0.00 0.00 64.34 64.24 1qie n VAL 400 Cb 0.83 -1.02 -0.10 0.00 -0.91 0.00 0.00 33.84 32.64 1qie n VAL 400 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1qie h ILE 401 N 0.00 0.16 -0.79 2.52 2.04 -1.14 -2.11 117.51 118.19 1qie h ILE 401 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1qie h ILE 401 Cb 0.00 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.20 1qie h ILE 401 CO 0.00 0.00 0.51 0.00 0.00 0.00 0.00 178.15 178.66 1qie h PRO 403 N 1.08 0.91 -0.38 0.00 0.11 -1.71 -1.52 132.00 130.50 1qie h PRO 403 Ca 0.29 -0.35 -0.09 0.00 0.11 0.00 0.00 66.00 65.96 1qie h PRO 403 Cb -0.10 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 30.94 1qie h PRO 403 CO -0.06 1.00 -0.15 1.25 -0.21 0.00 0.00 178.00 179.83 1qie h LEU 404 N 0.81 0.68 -0.96 2.35 6.46 -0.80 -1.60 115.31 122.25 1qie h LEU 404 Ca 0.12 -0.21 -0.09 0.00 -0.12 0.00 0.00 57.88 57.58 1qie h LEU 404 Cb 0.69 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1qie h LEU 404 CO 0.05 0.85 -0.26 0.24 -0.62 0.00 0.00 178.44 178.70 1qie h MET 405 N 0.62 0.44 -0.29 1.25 2.86 -0.82 0.23 114.93 119.21 1qie h MET 405 Ca 0.10 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1qie h MET 405 Cb 0.61 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1qie h MET 405 CO 0.04 0.67 0.06 1.25 1.06 0.00 0.00 176.91 180.00 1qie h HIS 406 N 0.39 0.50 0.24 -0.22 -0.00 -0.85 -1.97 115.15 113.23 1qie h HIS 406 Ca 0.06 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1qie h HIS 406 Cb 0.67 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.93 1qie h HIS 406 CO 0.02 0.55 -0.15 0.35 -0.00 0.00 0.00 177.93 178.69 1qie h PHE 407 N 0.31 -0.40 -0.80 5.26 3.57 -0.92 -1.45 116.94 122.51 1qie h PHE 407 Ca 0.09 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.64 1qie h PHE 407 Cb 0.31 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 1qie h PHE 407 CO 0.02 -0.24 0.50 -0.24 -2.23 0.00 0.00 178.31 176.11 1qie h VAL 408 N -0.38 1.07 -0.37 1.41 3.04 -0.91 0.38 116.25 120.48 1qie h VAL 408 Ca -0.02 -0.32 -0.12 0.00 -1.01 0.00 0.00 66.70 65.23 1qie h VAL 408 Cb 0.33 0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 29.64 1qie h VAL 408 CO 0.01 0.17 -0.27 0.78 -1.01 0.00 0.00 177.57 177.25 1qie h ASN 409 N 0.94 0.78 -0.18 3.17 2.35 -1.23 -0.48 115.58 120.93 1qie h ASN 409 Ca 0.34 -0.30 -0.19 0.00 -0.55 0.00 0.00 56.30 55.60 1qie h ASN 409 Cb 0.10 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.26 1qie h ASN 409 CO -0.15 1.01 -0.62 0.11 -1.65 0.00 0.00 177.43 176.14 1qie h LYS 410 N 0.65 0.74 -0.21 0.81 1.79 -0.67 -3.30 116.57 116.38 1qie h LYS 410 Ca 0.08 -0.55 -0.04 0.00 -2.18 0.00 0.00 60.65 57.96 1qie h LYS 410 Cb 0.79 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.53 1qie h LYS 410 CO 0.07 1.17 -0.02 -0.92 -1.08 0.00 0.00 179.45 178.66 1qie h TYR 411 N 0.46 0.43 -0.13 -1.35 3.20 -0.18 -3.09 116.97 116.31 1qie h TYR 411 Ca -0.03 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 61.80 1qie h TYR 411 Cb 1.24 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 1qie h TYR 411 CO 0.09 0.61 0.25 1.15 -1.64 0.00 0.00 178.16 178.61 1qie h THR 412 N 0.14 0.22 -0.09 1.81 2.02 -1.18 0.14 112.91 115.97 1qie h THR 412 Ca 0.06 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.14 1qie h THR 412 Cb 0.45 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1qie h THR 412 CO 0.02 0.00 -0.38 0.50 0.37 0.00 0.00 175.52 176.02 1qie h LYS 413 N 0.00 0.19 0.00 6.66 3.64 -1.61 -3.29 116.57 122.15 1qie h LYS 413 Ca 0.06 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1qie h LYS 413 Cb 0.55 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1qie h LYS 413 CO -0.00 0.55 -0.40 1.19 -2.27 0.00 0.00 179.45 178.52 1qie n PHE 414 N -4.06 0.00 -1.48 1.91 3.01 -0.27 -5.07 117.46 111.51 1qie n PHE 414 Ca -0.01 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.15 1qie n PHE 414 Cb 0.45 -0.00 0.21 0.00 -0.01 0.00 0.00 39.48 40.13 1qie n PHE 414 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1qie s GLY 415 N -1.79 1.67 -0.14 1.37 0.00 0.31 -4.84 107.32 103.91 1qie s GLY 415 Ca 0.03 -1.05 0.15 0.00 0.00 0.00 0.00 44.72 43.85 1qie s GLY 415 CO 0.34 -0.23 1.37 -2.01 0.00 0.00 0.00 173.10 172.57 1qie n ASN 416 N -4.28 3.61 0.00 1.64 4.05 -0.37 -4.91 115.26 115.00 1qie n ASN 416 Ca 0.14 -2.81 0.00 0.00 0.45 0.00 0.00 54.58 52.36 1qie n ASN 416 Cb 0.59 -0.47 0.00 0.00 1.23 0.00 0.00 39.78 41.13 1qie n ASN 416 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1qie n GLY 417 N -0.35 3.16 3.20 8.20 0.00 -1.25 -4.72 105.19 113.43 1qie n GLY 417 Ca 0.19 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1qie n GLY 417 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qie s THR 418 N 0.00 1.70 -0.15 2.61 2.01 -1.26 -0.96 115.64 119.60 1qie s THR 418 Ca 0.00 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.13 1qie s THR 418 Cb 0.00 -1.44 0.03 0.00 0.01 0.00 0.00 72.50 71.10 1qie s THR 418 CO 0.00 0.48 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.00 1qie s TYR 419 N -0.11 1.91 -0.04 4.92 2.02 -0.59 -0.21 117.35 125.25 1qie s TYR 419 Ca -0.02 -1.09 0.03 0.00 -0.37 0.00 0.00 57.07 55.62 1qie s TYR 419 Cb -0.12 -1.44 -0.03 0.00 -0.40 0.00 0.00 41.96 39.97 1qie s TYR 419 CO 0.02 -0.62 -0.12 -1.17 -1.57 0.00 0.00 175.55 172.09 1qie s LEU 420 N 1.57 2.87 0.17 -1.29 2.96 -1.26 -1.00 118.68 122.71 1qie s LEU 420 Ca 0.04 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 1qie s LEU 420 Cb -0.13 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 1qie s LEU 420 CO -0.09 0.34 -0.04 -0.72 -1.32 0.00 0.00 176.35 174.51 1qie s TYR 421 N -0.79 1.30 -0.29 5.38 -0.85 -0.63 -2.21 117.35 119.26 1qie s TYR 421 Ca 0.12 -0.89 -0.02 0.00 -0.52 0.00 0.00 57.07 55.77 1qie s TYR 421 Cb -0.11 -0.71 0.09 0.00 0.38 0.00 0.00 41.96 41.61 1qie s TYR 421 CO 0.02 -0.05 0.10 0.12 -1.52 0.00 0.00 175.55 174.21 1qie s PHE 422 N -3.47 1.21 -0.45 -3.49 5.36 -0.21 -2.79 117.98 114.14 1qie s PHE 422 Ca 0.21 -1.36 -0.29 0.00 -0.96 0.00 0.00 56.93 54.53 1qie s PHE 422 Cb 0.05 -1.38 0.03 0.00 -0.34 0.00 0.00 43.02 41.37 1qie s PHE 422 CO 0.03 -0.82 1.11 0.12 -1.46 0.00 0.00 175.22 174.20 1qie s PHE 423 N 1.79 2.87 -0.17 10.12 5.36 0.36 -1.30 117.98 137.01 1qie s PHE 423 Ca 0.08 0.77 0.16 0.00 -0.96 0.00 0.00 56.93 56.98 1qie s PHE 423 Cb -0.17 -4.29 0.44 0.00 -0.34 0.00 0.00 43.02 38.66 1qie s PHE 423 CO -0.26 -1.18 1.19 0.27 -1.46 0.00 0.00 175.22 173.77 1qie n ASN 424 N 7.65 2.11 -4.53 6.13 6.94 -1.13 -1.46 115.26 130.95 1qie n ASN 424 Ca 0.12 -3.11 -0.35 0.00 -0.02 0.00 0.00 54.58 51.21 1qie n ASN 424 Cb 0.49 -0.42 -0.11 0.00 -2.36 0.00 0.00 39.78 37.37 1qie n ASN 424 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1qie s HIS 425 N -2.49 3.15 -0.26 -2.53 2.46 -1.25 -4.97 115.29 109.40 1qie s HIS 425 Ca 0.38 -0.19 -0.18 0.00 0.47 0.00 0.00 55.06 55.54 1qie s HIS 425 Cb 0.38 -2.15 -0.02 0.00 -0.13 0.00 0.00 32.58 30.65 1qie s HIS 425 CO -0.07 -0.11 0.54 0.50 -2.47 0.00 0.00 174.74 173.13 1qie s ARG 426 N 0.99 4.07 0.24 2.88 3.52 -1.26 -4.88 118.95 124.50 1qie s ARG 426 Ca 0.04 0.36 -0.31 0.00 -0.13 0.00 0.00 55.73 55.69 1qie s ARG 426 Cb -0.14 -3.66 -0.14 0.00 -1.56 0.00 0.00 34.95 29.46 1qie s ARG 426 CO 0.03 -0.37 1.38 0.00 -0.81 0.00 0.00 175.30 175.52 1qie n ALA 427 N 5.59 0.94 0.30 6.12 0.00 -1.26 -4.88 120.51 127.32 1qie n ALA 427 Ca -0.03 0.41 0.18 0.00 0.00 0.00 0.00 53.44 54.00 1qie n ALA 427 Cb 0.50 -2.25 0.94 0.00 0.00 0.00 0.00 19.45 18.63 1qie n ALA 427 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qie h SER 428 N 4.05 0.00 -0.47 0.00 4.64 -1.95 -2.89 113.55 116.93 1qie h SER 428 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1qie h SER 428 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1qie h SER 428 CO 0.74 0.04 0.00 -0.46 -0.87 0.00 0.00 176.83 176.28 1qie n ASN 429 N -3.35 4.75 -4.74 4.97 0.23 -1.26 -5.01 115.26 110.85 1qie n ASN 429 Ca -0.02 -2.81 -0.41 0.00 -0.53 0.00 0.00 54.58 50.81 1qie n ASN 429 Cb 0.17 -0.59 -0.02 0.00 -2.08 0.00 0.00 39.78 37.25 1qie n ASN 429 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1qie s LEU 430 N -2.50 4.38 0.13 -4.53 1.43 -1.09 -4.91 118.68 111.59 1qie s LEU 430 Ca 0.48 2.63 0.24 0.00 -1.03 0.00 0.00 54.13 56.44 1qie s LEU 430 Cb 0.36 -3.62 0.22 0.00 0.03 0.00 0.00 46.19 43.18 1qie s LEU 430 CO 0.15 -0.71 1.22 -0.37 0.23 0.00 0.00 176.35 176.87 1qie h VAL 431 N 3.66 0.00 -4.22 -1.59 -1.51 -1.95 -3.47 116.25 107.18 1qie h VAL 431 Ca -0.45 -0.61 -0.50 0.00 -1.23 0.00 0.00 66.70 63.90 1qie h VAL 431 Cb 1.21 1.14 0.09 0.00 -2.13 0.00 0.00 31.29 31.60 1qie h VAL 431 CO 0.80 0.00 0.37 0.26 -1.23 0.00 0.00 177.57 177.77 1qie s TRP 432 N -3.22 2.80 0.94 5.19 0.52 -1.26 -5.00 118.94 118.91 1qie s TRP 432 Ca 0.04 1.53 -0.11 0.00 0.02 0.00 0.00 56.10 57.58 1qie s TRP 432 Cb 0.12 -3.08 0.16 0.00 -1.15 0.00 0.00 33.47 29.53 1qie s TRP 432 CO 0.75 -1.44 1.12 -1.25 0.02 0.00 0.00 176.95 176.15 1qie s PRO 433 N -4.21 0.83 0.26 4.98 0.04 -1.26 -4.94 135.00 130.70 1qie s PRO 433 Ca 0.65 1.39 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 1qie s PRO 433 Cb -0.18 -1.72 0.32 0.00 0.04 0.00 0.00 34.50 32.96 1qie s PRO 433 CO 0.42 -2.71 1.84 0.93 0.04 0.00 0.00 177.00 177.52 1qie h GLU 434 N -1.92 1.04 -0.01 4.56 4.39 -1.94 -2.94 114.58 117.76 1qie h GLU 434 Ca -0.46 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.08 1qie h GLU 434 Cb 1.28 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1qie h GLU 434 CO 0.44 0.83 0.05 0.11 -1.16 0.00 0.00 179.01 179.28 1qie h TRP 435 N 1.02 0.00 0.00 4.33 5.08 -1.91 -1.09 115.95 123.38 1qie h TRP 435 Ca 0.24 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.21 1qie h TRP 435 Cb 0.16 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.32 1qie h TRP 435 CO 0.01 0.00 0.00 -1.33 -1.28 0.00 0.00 178.44 175.84 1qie n MET 436 N -3.21 0.25 0.00 0.12 2.81 -1.11 -4.99 117.12 111.00 1qie n MET 436 Ca -0.03 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 1qie n MET 436 Cb 0.12 -1.82 0.00 0.00 -0.71 0.00 0.00 33.22 30.81 1qie n MET 436 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qie n GLY 437 N 1.03 3.20 3.47 3.03 0.00 -0.42 -4.05 105.19 111.45 1qie n GLY 437 Ca 0.05 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1qie n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qie s VAL 438 N 0.00 4.60 0.48 1.61 1.01 -1.26 -4.88 120.40 121.96 1qie s VAL 438 Ca 0.00 -1.52 -0.23 0.00 0.00 0.00 0.00 61.98 60.23 1qie s VAL 438 Cb 0.00 -4.84 -0.07 0.00 0.00 0.00 0.00 36.38 31.47 1qie s VAL 438 CO 0.00 -1.60 1.26 -0.63 0.00 0.00 0.00 175.10 174.14 1qie s ILE 439 N 3.01 2.63 -0.12 2.22 1.01 -1.26 -1.76 121.20 126.94 1qie s ILE 439 Ca 0.36 0.49 -0.38 0.00 0.00 0.00 0.00 60.65 61.12 1qie s ILE 439 Cb -0.04 -3.26 -0.15 0.00 0.01 0.00 0.00 42.46 39.02 1qie s ILE 439 CO -0.09 0.01 1.63 1.57 0.00 0.00 0.00 174.94 178.06 1qie n HIS 440 N -0.56 1.93 -0.15 3.97 -0.00 -1.25 -1.30 115.22 117.85 1qie n HIS 440 Ca 0.08 0.49 0.00 0.00 -0.00 0.00 0.00 57.72 58.29 1qie n HIS 440 Cb 0.46 -2.45 0.00 0.00 -0.00 0.00 0.00 29.99 28.00 1qie n HIS 440 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qie n GLY 441 N 3.67 1.39 1.04 1.57 0.00 -1.26 -4.93 105.19 106.66 1qie n GLY 441 Ca 0.23 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1qie n GLY 441 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qie n TYR 442 N -2.00 0.87 0.42 1.61 4.02 -0.42 -2.89 117.16 118.78 1qie n TYR 442 Ca 0.00 -0.32 0.10 0.00 -0.01 0.00 0.00 57.90 57.67 1qie n TYR 442 Cb 0.00 -0.22 -0.14 0.00 -0.02 0.00 0.00 39.34 38.96 1qie n TYR 442 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1qie n GLU 443 N 0.36 0.50 -0.10 -0.72 0.00 -1.26 -4.37 120.64 115.05 1qie n GLU 443 Ca 0.13 -0.11 -0.07 0.00 0.00 0.00 0.00 57.16 57.12 1qie n GLU 443 Cb 0.61 -1.48 0.01 0.00 0.00 0.00 0.00 31.44 30.58 1qie n GLU 443 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1qie h ILE 444 N 0.00 0.95 -0.14 3.84 2.04 -1.93 -1.89 117.51 120.38 1qie h ILE 444 Ca 0.00 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.79 1qie h ILE 444 Cb 0.74 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1qie h ILE 444 CO 0.00 0.06 0.10 1.05 0.00 0.00 0.00 178.15 179.36 1qie h GLU 445 N 0.32 0.02 0.03 2.37 4.11 -1.78 -0.04 114.58 119.61 1qie h GLU 445 Ca 0.15 -0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.36 1qie h GLU 445 Cb 0.09 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1qie h GLU 445 CO -0.13 0.01 -0.99 0.74 0.07 0.00 0.00 179.01 178.71 1qie h PHE 446 N 0.02 0.21 -0.34 2.06 -1.00 -1.63 -0.98 116.94 115.27 1qie h PHE 446 Ca 0.06 -0.13 -0.15 0.00 2.81 0.00 0.00 57.97 60.56 1qie h PHE 446 Cb 0.24 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 1qie h PHE 446 CO -0.00 1.03 -0.38 0.28 -1.61 0.00 0.00 178.31 177.63 1qie h VAL 447 N 0.05 1.28 -0.35 -0.55 2.07 -0.40 -2.83 116.25 115.53 1qie h VAL 447 Ca -0.05 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1qie h VAL 447 Cb 1.69 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1qie h VAL 447 CO 0.15 0.51 0.00 0.49 0.02 0.00 0.00 177.57 178.74 1qie n PHE 448 N -4.05 0.46 -2.46 1.57 3.01 -0.18 -4.65 117.46 111.16 1qie n PHE 448 Ca -0.02 -0.23 -0.18 0.00 1.01 0.00 0.00 57.45 58.03 1qie n PHE 448 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 1qie n PHE 448 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qie n GLY 449 N 1.10 -0.35 0.25 1.37 0.00 -1.00 -4.23 105.19 102.33 1qie n GLY 449 Ca 0.13 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1qie n GLY 449 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qie h LEU 450 N -0.27 0.00 -0.33 0.99 -0.00 -1.47 -2.47 115.31 111.76 1qie h LEU 450 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.46 1qie h LEU 450 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 1qie h LEU 450 CO 0.49 0.13 0.00 -2.65 -0.00 0.00 0.00 178.44 176.41 1qie n PRO 451 N -4.03 0.05 0.00 1.13 -0.02 -1.26 -1.87 135.00 129.00 1qie n PRO 451 Ca -0.02 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.00 1qie n PRO 451 Cb 0.21 -1.63 0.57 0.00 -0.02 0.00 0.00 33.50 32.63 1qie n PRO 451 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1qie n LEU 452 N -1.74 0.00 -4.38 2.45 4.77 -0.93 -4.52 117.00 112.66 1qie n LEU 452 Ca 0.01 0.48 -0.45 0.00 -0.03 0.00 0.00 56.01 56.03 1qie n LEU 452 Cb 0.11 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 1qie n LEU 452 CO 0.10 -0.05 0.04 0.54 -1.33 0.00 0.00 177.39 176.69 1qie s VAL 453 N -2.96 5.21 0.24 4.08 0.11 -0.78 -4.98 120.40 121.32 1qie s VAL 453 Ca 0.14 -1.12 -0.15 0.00 -2.93 0.00 0.00 61.98 57.91 1qie s VAL 453 Cb 0.17 -4.14 0.29 0.00 -1.53 0.00 0.00 36.38 31.17 1qie s VAL 453 CO 0.47 -0.61 1.56 0.11 -3.33 0.00 0.00 175.10 173.30 1qie h LYS 454 N 8.76 -0.01 0.00 1.54 1.79 -1.87 -0.07 116.57 126.72 1qie h LYS 454 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1qie h LYS 454 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1qie h LYS 454 CO 0.90 -0.00 0.24 -0.85 -1.08 0.00 0.00 179.45 178.65 1qie n GLU 455 N -5.51 0.07 0.00 3.15 0.00 -1.26 -0.58 120.64 116.51 1qie n GLU 455 Ca 0.11 0.51 0.13 0.00 0.00 0.00 0.00 57.16 57.91 1qie n GLU 455 Cb 0.42 -1.96 0.42 0.00 0.00 0.00 0.00 31.44 30.32 1qie n GLU 455 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1qie n LEU 456 N -1.87 0.47 -1.81 -1.84 4.77 -0.04 -4.98 117.00 111.70 1qie n LEU 456 Ca -0.01 0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1qie n LEU 456 Cb 0.25 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1qie n LEU 456 CO 0.05 0.10 0.09 0.59 -1.33 0.00 0.00 177.39 176.89 1qie n ASN 457 N -1.27 -3.44 -4.98 -1.43 3.02 0.26 -5.00 115.26 102.41 1qie n ASN 457 Ca 0.09 -0.23 -0.20 0.00 -0.03 0.00 0.00 54.58 54.21 1qie n ASN 457 Cb 0.33 -2.36 0.02 0.00 -0.61 0.00 0.00 39.78 37.16 1qie n ASN 457 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1qie s TYR 458 N -3.13 2.96 0.73 3.10 1.51 -1.26 -4.65 117.35 116.60 1qie s TYR 458 Ca 0.19 -0.08 -0.07 0.00 -1.01 0.00 0.00 57.07 56.10 1qie s TYR 458 Cb -0.08 -2.46 0.08 0.00 -0.11 0.00 0.00 41.96 39.39 1qie s TYR 458 CO 0.30 -0.53 1.03 0.95 -1.11 0.00 0.00 175.55 176.19 1qie s THR 459 N -2.53 2.24 0.22 -0.71 -4.23 -1.26 -4.94 115.64 104.43 1qie s THR 459 Ca 0.53 -0.30 -0.05 0.00 -1.18 0.00 0.00 61.69 60.69 1qie s THR 459 Cb -0.10 -2.95 0.09 0.00 1.34 0.00 0.00 72.50 70.88 1qie s THR 459 CO 0.36 0.00 1.70 0.00 -0.54 0.00 0.00 174.62 176.14 1qie h ALA 460 N -0.67 0.97 0.00 3.99 0.00 -1.99 -2.39 119.26 119.18 1qie h ALA 460 Ca -0.43 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 1qie h ALA 460 Cb 1.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1qie h ALA 460 CO 0.55 0.62 -0.35 1.05 0.00 0.00 0.00 179.25 181.13 1qie h GLU 461 N 0.86 0.00 0.00 0.00 9.09 -1.99 -1.75 114.58 120.79 1qie h GLU 461 Ca 0.16 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.43 1qie h GLU 461 Cb 0.51 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.59 1qie h GLU 461 CO 0.02 0.35 -0.66 0.93 0.05 0.00 0.00 179.01 179.70 1qie h GLU 462 N 0.00 0.00 -0.21 1.06 5.08 -1.84 -0.60 114.58 118.07 1qie h GLU 462 Ca -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1qie h GLU 462 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1qie h GLU 462 CO 0.04 0.66 -0.56 1.49 -1.00 0.00 0.00 179.01 179.64 1qie h GLU 463 N 0.00 0.76 -0.58 2.33 4.81 -1.01 -1.31 114.58 119.58 1qie h GLU 463 Ca -0.01 -0.53 -0.07 0.00 -0.13 0.00 0.00 59.36 58.63 1qie h GLU 463 Cb 1.28 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 1qie h GLU 463 CO 0.09 1.15 0.08 0.00 -0.73 0.00 0.00 179.01 179.59 1qie h ALA 464 N 0.60 1.04 -0.60 2.92 0.00 -1.21 -1.48 119.26 120.53 1qie h ALA 464 Ca -0.01 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1qie h ALA 464 Cb 1.18 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1qie h ALA 464 CO 0.12 0.61 0.02 1.25 0.00 0.00 0.00 179.25 181.26 1qie h LEU 465 N 0.89 1.01 -0.43 0.00 5.85 -0.99 -1.94 115.31 119.70 1qie h LEU 465 Ca 0.18 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1qie h LEU 465 Cb 0.41 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1qie h LEU 465 CO 0.01 1.05 0.15 -1.28 -0.34 0.00 0.00 178.44 178.03 1qie h SER 466 N 0.96 0.61 -0.70 1.25 0.87 -0.76 -1.52 113.55 114.25 1qie h SER 466 Ca 0.18 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1qie h SER 466 Cb 0.52 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 1qie h SER 466 CO 0.03 0.63 0.28 0.03 -0.53 0.00 0.00 176.83 177.27 1qie h ARG 467 N 0.55 1.05 0.09 2.24 3.08 -1.11 0.16 114.38 120.45 1qie h ARG 467 Ca 0.14 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1qie h ARG 467 Cb 0.23 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1qie h ARG 467 CO -0.01 0.87 -0.05 0.00 -1.07 0.00 0.00 179.97 179.71 1qie h ARG 468 N 1.00 -0.14 -0.28 0.04 3.08 -1.18 0.10 114.38 117.01 1qie h ARG 468 Ca 0.23 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1qie h ARG 468 Cb 0.21 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1qie h ARG 468 CO -0.02 -0.09 0.18 0.82 -1.07 0.00 0.00 179.97 179.79 1qie h ILE 469 N -0.14 1.09 -0.92 2.04 2.04 -1.01 0.16 117.51 120.76 1qie h ILE 469 Ca -0.01 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.67 1qie h ILE 469 Cb 0.12 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1qie h ILE 469 CO 0.01 0.09 0.61 0.24 0.00 0.00 0.00 178.15 179.10 1qie h MET 470 N 0.37 1.18 -0.07 2.37 2.86 -0.56 -0.25 114.93 120.83 1qie h MET 470 Ca 0.10 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 1qie h MET 470 Cb -0.01 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.37 1qie h MET 470 CO -0.02 0.78 -0.58 1.25 1.06 0.00 0.00 176.91 179.40 1qie h HIS 471 N 1.22 0.27 0.06 -0.22 -0.00 -0.45 -0.98 115.15 115.06 1qie h HIS 471 Ca 0.35 -0.10 -0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1qie h HIS 471 Cb -0.10 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.27 1qie h HIS 471 CO -0.00 0.74 -0.03 1.88 -0.00 0.00 0.00 177.93 180.52 1qie h TYR 472 N 0.16 -0.08 -0.10 5.26 0.05 0.07 -1.13 116.97 121.19 1qie h TYR 472 Ca -0.00 -0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.79 1qie h TYR 472 Cb 1.07 0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.82 1qie h TYR 472 CO 0.02 0.28 -0.01 -1.49 -1.05 0.00 0.00 178.16 175.91 1qie h TRP 473 N -0.44 -0.01 -0.48 4.88 -0.00 -1.00 -0.97 115.95 117.92 1qie h TRP 473 Ca -0.01 0.01 -0.12 0.00 -0.00 0.00 0.00 58.89 58.77 1qie h TRP 473 Cb 0.39 0.02 -0.02 0.00 -0.00 0.00 0.00 29.16 29.55 1qie h TRP 473 CO 0.04 -0.02 -0.18 0.00 -0.00 0.00 0.00 178.44 178.29 1qie h ALA 474 N 1.09 0.77 -0.19 1.49 0.00 -1.22 -0.54 119.26 120.65 1qie h ALA 474 Ca 0.05 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1qie h ALA 474 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1qie h ALA 474 CO -0.09 0.66 -0.32 1.15 0.00 0.00 0.00 179.25 180.65 1qie h THR 475 N 0.83 1.28 -0.26 0.00 2.02 -1.12 -1.32 112.91 114.35 1qie h THR 475 Ca 0.12 -1.38 -0.08 0.00 0.77 0.00 0.00 66.41 65.84 1qie h THR 475 Cb 0.74 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1qie h THR 475 CO 0.06 0.43 -0.14 0.15 0.37 0.00 0.00 175.52 176.39 1qie h PHE 476 N 0.34 0.63 -0.73 3.16 3.57 -0.93 -0.27 116.94 122.71 1qie h PHE 476 Ca 0.04 -0.16 0.04 0.00 3.53 0.00 0.00 57.97 61.42 1qie h PHE 476 Cb 0.74 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 1qie h PHE 476 CO 0.02 0.81 0.48 0.00 -2.23 0.00 0.00 178.31 177.39 1qie h ALA 477 N 0.72 1.60 0.02 2.41 0.00 -0.76 0.67 119.26 123.93 1qie h ALA 477 Ca 0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1qie h ALA 477 Cb 0.65 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1qie h ALA 477 CO 0.04 0.31 -0.24 0.87 0.00 0.00 0.00 179.25 180.24 1qie h LYS 478 N 0.86 0.12 0.00 0.00 1.57 -1.10 -3.42 116.57 114.60 1qie h LYS 478 Ca 0.30 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1qie h LYS 478 Cb 0.10 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1qie h LYS 478 CO -0.09 0.99 -1.59 0.25 -0.57 0.00 0.00 179.45 178.44 1qie n THR 479 N -4.50 0.00 -0.49 -0.16 -2.24 -0.13 -5.00 114.28 101.77 1qie n THR 479 Ca -0.11 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1qie n THR 479 Cb 0.54 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1qie n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qie n GLY 480 N 1.77 0.73 3.17 3.38 0.00 0.23 -5.03 105.19 109.45 1qie n GLY 480 Ca -0.02 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1qie n GLY 480 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qie s ASN 481 N -2.20 -0.06 0.57 1.61 3.84 -1.25 -4.92 114.94 112.53 1qie s ASN 481 Ca 0.00 0.84 0.37 0.00 0.21 0.00 0.00 52.86 54.28 1qie s ASN 481 Cb 0.00 1.06 1.83 0.00 -0.55 0.00 0.00 41.25 43.59 1qie s ASN 481 CO 0.00 -0.23 2.12 1.55 -2.79 0.00 0.00 177.10 177.75 1qie h PRO 482 N 8.12 0.00 -6.70 0.43 0.13 -1.81 -3.22 132.00 128.94 1qie h PRO 482 Ca -0.17 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.46 1qie h PRO 482 Cb 1.12 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 1qie h PRO 482 CO 0.14 0.00 0.09 -0.80 -0.23 0.00 0.00 178.00 177.20 1qie s ASN 483 N -5.20 6.79 -0.15 1.44 0.01 -1.26 -4.49 114.94 112.08 1qie s ASN 483 Ca -0.02 1.28 -0.28 0.00 -0.71 0.00 0.00 52.86 53.13 1qie s ASN 483 Cb 0.11 -2.37 -0.01 0.00 0.41 0.00 0.00 41.25 39.39 1qie s ASN 483 CO 0.44 -0.18 0.94 -1.61 -1.51 0.00 0.00 177.10 175.18 1qie s GLU 484 N -2.89 4.34 0.09 -0.60 0.41 -1.26 -4.97 118.70 113.82 1qie s GLU 484 Ca 0.53 1.24 -0.18 0.00 -0.41 0.00 0.00 54.97 56.15 1qie s GLU 484 Cb -0.11 -3.57 -0.04 0.00 -1.78 0.00 0.00 34.13 28.63 1qie s GLU 484 CO 0.18 -0.37 1.02 -2.30 -0.49 0.00 0.00 175.26 173.30 1qie n PRO 485 N 5.32 -0.25 -1.02 0.39 -0.02 -1.26 -1.73 135.00 136.43 1qie n PRO 485 Ca 0.08 1.01 -0.13 0.00 -2.02 0.00 0.00 63.50 62.44 1qie n PRO 485 Cb 0.48 -1.48 0.18 0.00 -0.02 0.00 0.00 33.50 32.66 1qie n PRO 485 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1qie n HIS 486 N -4.44 1.83 -1.28 6.00 8.25 -1.26 -5.03 115.22 119.30 1qie n HIS 486 Ca 0.01 -1.79 -0.30 0.00 -0.26 0.00 0.00 57.72 55.37 1qie n HIS 486 Cb 0.15 -0.67 0.11 0.00 1.12 0.00 0.00 29.99 30.70 1qie n HIS 486 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1qie s SER 487 N -2.22 4.12 0.00 0.41 0.15 -0.71 -4.95 113.70 110.51 1qie s SER 487 Ca 0.50 1.62 0.14 0.00 0.70 0.00 0.00 55.95 58.90 1qie s SER 487 Cb 0.43 -2.32 -0.01 0.00 -1.71 0.00 0.00 66.02 62.41 1qie s SER 487 CO 0.03 -2.25 0.78 0.00 1.20 0.00 0.00 173.24 173.00 1qie n GLN 488 N -3.64 1.81 -1.07 5.44 1.13 -1.26 -5.00 117.38 114.79 1qie n GLN 488 Ca 0.08 -0.73 -0.29 0.00 -1.94 0.00 0.00 57.00 54.12 1qie n GLN 488 Cb 0.54 -1.21 0.18 0.00 0.11 0.00 0.00 30.24 29.86 1qie n GLN 488 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1qie s GLU 489 N -1.73 0.40 0.20 -1.09 0.41 -1.26 -4.96 118.70 110.67 1qie s GLU 489 Ca 0.12 0.65 -0.30 0.00 -0.41 0.00 0.00 54.97 55.02 1qie s GLU 489 Cb 0.11 -1.72 -0.09 0.00 -1.78 0.00 0.00 34.13 30.65 1qie s GLU 489 CO 0.36 -2.79 1.35 0.45 -0.49 0.00 0.00 175.26 174.14 1qie s SER 490 N -3.29 6.83 -0.04 -0.19 0.15 -1.26 -4.99 113.70 110.91 1qie s SER 490 Ca 0.65 2.45 -0.21 0.00 0.70 0.00 0.00 55.95 59.55 1qie s SER 490 Cb -0.19 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.46 1qie s SER 490 CO 0.59 -0.58 0.62 -0.54 1.20 0.00 0.00 173.24 174.52 1qie s LYS 491 N -0.05 4.37 -0.64 5.44 -0.14 -1.26 -5.03 119.74 122.43 1qie s LYS 491 Ca 0.58 0.75 -0.27 0.00 -1.36 0.00 0.00 55.97 55.67 1qie s LYS 491 Cb -0.38 -3.40 0.03 0.00 -1.68 0.00 0.00 37.83 32.41 1qie s LYS 491 CO 0.38 0.22 1.20 -0.46 -0.76 0.00 0.00 175.35 175.94 1qie s TRP 492 N 0.30 2.49 0.73 3.18 -0.11 -1.26 -5.00 118.94 119.27 1qie s TRP 492 Ca 0.33 0.18 -0.15 0.00 1.22 0.00 0.00 56.10 57.68 1qie s TRP 492 Cb -0.18 -4.53 0.04 0.00 -1.50 0.00 0.00 33.47 27.30 1qie s TRP 492 CO 0.17 -1.77 1.19 -1.25 -4.62 0.00 0.00 176.95 170.67 1qie s PRO 493 N 5.17 2.20 0.13 5.86 0.04 -1.26 -4.90 135.00 142.24 1qie s PRO 493 Ca 0.38 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.81 1qie s PRO 493 Cb -0.08 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 1qie s PRO 493 CO 0.20 -1.77 1.06 -1.17 0.04 0.00 0.00 177.00 175.36 1qie s LEU 494 N -5.17 4.47 -0.16 -3.56 2.96 -1.26 -4.71 118.68 111.26 1qie s LEU 494 Ca 0.73 1.95 -0.29 0.00 -0.22 0.00 0.00 54.13 56.30 1qie s LEU 494 Cb -0.27 -3.59 -0.00 0.00 0.50 0.00 0.00 46.19 42.82 1qie s LEU 494 CO 0.45 -0.20 1.00 0.12 -1.32 0.00 0.00 176.35 176.41 1qie s PHE 495 N 0.08 3.44 0.23 5.38 2.19 0.71 -4.54 117.98 125.46 1qie s PHE 495 Ca 0.50 1.52 0.11 0.00 0.33 0.00 0.00 56.93 59.39 1qie s PHE 495 Cb -0.27 -3.20 -0.05 0.00 -1.31 0.00 0.00 43.02 38.19 1qie s PHE 495 CO 0.32 -0.32 -0.21 0.95 1.83 0.00 0.00 175.22 177.80 1qie s THR 496 N 2.44 2.29 0.42 0.12 -4.23 -1.26 -4.31 115.64 111.12 1qie s THR 496 Ca 0.46 -2.21 0.14 0.00 -1.18 0.00 0.00 61.69 58.91 1qie s THR 496 Cb -0.17 -2.16 0.34 0.00 1.34 0.00 0.00 72.50 71.85 1qie s THR 496 CO 0.13 -0.31 1.94 0.74 -0.54 0.00 0.00 174.62 176.58 1qie h THR 497 N 2.73 0.84 0.00 3.99 2.02 -1.95 0.14 112.91 120.67 1qie h THR 497 Ca -0.42 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 1qie h THR 497 Cb 1.23 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1qie h THR 497 CO 0.55 0.08 -0.00 0.50 0.37 0.00 0.00 175.52 177.02 1qie h LYS 498 N 0.44 0.00 0.11 6.66 3.64 -2.01 -3.40 116.57 122.02 1qie h LYS 498 Ca 0.34 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.43 1qie h LYS 498 Cb 0.73 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1qie h LYS 498 CO -0.11 0.47 -1.40 0.93 -2.27 0.00 0.00 179.45 177.07 1qie h GLU 499 N -1.00 0.24 -6.15 1.90 4.39 -1.94 -3.48 114.58 108.54 1qie h GLU 499 Ca -0.00 -0.41 -0.45 0.00 0.34 0.00 0.00 59.36 58.84 1qie h GLU 499 Cb 0.47 0.15 0.02 0.00 -0.10 0.00 0.00 28.75 29.30 1qie h GLU 499 CO -0.00 1.13 -0.76 1.04 -1.16 0.00 0.00 179.01 179.27 1qie n GLN 500 N -3.47 -5.93 -2.51 2.33 6.02 0.48 -4.41 117.38 109.90 1qie n GLN 500 Ca -0.13 0.66 -0.34 0.00 -0.01 0.00 0.00 57.00 57.18 1qie n GLN 500 Cb 1.03 -5.52 -0.03 0.00 1.02 0.00 0.00 30.24 26.74 1qie n GLN 500 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1qie s LYS 501 N -6.39 3.78 0.20 -1.09 1.02 -1.26 -2.10 119.74 113.89 1qie s LYS 501 Ca 0.50 1.32 -0.14 0.00 0.02 0.00 0.00 55.97 57.66 1qie s LYS 501 Cb -0.24 -2.09 0.01 0.00 -0.52 0.00 0.00 37.83 34.99 1qie s LYS 501 CO 0.80 -0.44 0.45 -0.59 -0.92 0.00 0.00 175.35 174.65 1qie s PHE 502 N -2.06 0.09 0.27 3.18 -0.71 -0.61 -4.18 117.98 113.97 1qie s PHE 502 Ca 0.66 -0.45 0.10 0.00 -1.04 0.00 0.00 56.93 56.21 1qie s PHE 502 Cb -0.16 0.24 -0.05 0.00 -1.21 0.00 0.00 43.02 41.85 1qie s PHE 502 CO 0.21 -0.88 -0.16 0.96 -1.34 0.00 0.00 175.22 174.01 1qie s ILE 503 N -3.92 2.23 0.35 -4.49 -4.36 -0.94 -0.20 121.20 109.86 1qie s ILE 503 Ca 0.13 -2.32 -0.04 0.00 -0.26 0.00 0.00 60.65 58.16 1qie s ILE 503 Cb 0.00 -2.31 -0.05 0.00 1.25 0.00 0.00 42.46 41.35 1qie s ILE 503 CO -0.00 -0.40 0.62 -1.81 0.24 0.00 0.00 174.94 173.58 1qie s ASP 504 N -3.48 6.39 -0.33 4.36 1.01 -1.05 -1.04 116.67 122.53 1qie s ASP 504 Ca 0.29 0.73 0.01 0.00 0.71 0.00 0.00 52.55 54.29 1qie s ASP 504 Cb -0.02 -2.15 0.10 0.00 1.01 0.00 0.00 42.92 41.85 1qie s ASP 504 CO 0.13 -0.31 0.08 -0.22 0.21 0.00 0.00 175.17 175.06 1qie s LEU 505 N -3.97 3.41 0.00 1.23 2.96 -0.42 -4.69 118.68 117.20 1qie s LEU 505 Ca 0.44 -1.89 0.00 0.00 -0.22 0.00 0.00 54.13 52.46 1qie s LEU 505 Cb -0.10 -1.22 0.00 0.00 0.50 0.00 0.00 46.19 45.37 1qie s LEU 505 CO 0.34 -0.40 0.00 -0.46 -1.32 0.00 0.00 176.35 174.51 1qie n ASN 506 N 4.55 0.00 -0.62 3.68 0.23 -1.26 -2.86 115.26 118.99 1qie n ASN 506 Ca 0.01 -0.60 0.07 0.00 -0.53 0.00 0.00 54.58 53.53 1qie n ASN 506 Cb 0.42 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.33 1qie n ASN 506 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1qie n THR 507 N 0.00 0.40 -3.67 5.53 -2.24 -1.26 -4.89 114.28 108.16 1qie n THR 507 Ca 0.00 -0.44 -0.20 0.00 -2.27 0.00 0.00 64.05 61.14 1qie n THR 507 Cb 0.00 0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.48 1qie n THR 507 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1qie s GLU 508 N -1.60 3.29 0.28 -0.78 2.02 -1.26 -5.04 118.70 115.62 1qie s GLU 508 Ca 0.25 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 54.13 1qie s GLU 508 Cb 0.13 -2.83 -0.13 0.00 0.10 0.00 0.00 34.13 31.41 1qie s GLU 508 CO 0.18 0.22 1.45 -2.30 0.02 0.00 0.00 175.26 174.83 1qie n PRO 509 N -1.57 2.29 -1.57 0.39 -0.02 -1.26 -4.83 135.00 128.44 1qie n PRO 509 Ca -0.05 0.81 -0.52 0.00 -2.02 0.00 0.00 63.50 61.73 1qie n PRO 509 Cb 0.57 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 1qie n PRO 509 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1qie n MET 510 N 1.74 0.96 -4.50 -0.52 0.00 -1.26 -4.98 117.12 108.56 1qie n MET 510 Ca 0.09 0.35 -0.26 0.00 -0.00 0.00 0.00 57.70 57.88 1qie n MET 510 Cb 0.34 -1.91 -0.17 0.00 0.00 0.00 0.00 33.22 31.49 1qie n MET 510 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1qie s LYS 511 N 0.12 1.82 -0.02 2.12 1.02 -1.26 -5.05 119.74 118.49 1qie s LYS 511 Ca 0.81 -0.43 -0.13 0.00 0.02 0.00 0.00 55.97 56.24 1qie s LYS 511 Cb -0.97 -1.54 -0.05 0.00 -0.52 0.00 0.00 37.83 34.75 1qie s LYS 511 CO 0.50 -0.02 0.35 0.08 -0.92 0.00 0.00 175.35 175.34 1qie s VAL 512 N 0.84 5.13 0.22 3.17 1.01 -1.26 -2.53 120.40 126.98 1qie s VAL 512 Ca -0.11 0.68 0.02 0.00 0.00 0.00 0.00 61.98 62.57 1qie s VAL 512 Cb -0.15 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 1qie s VAL 512 CO 0.02 0.57 0.08 1.41 0.00 0.00 0.00 175.10 177.17 1qie n HIS 513 N 1.78 0.05 -3.86 5.22 8.25 0.72 -4.97 115.22 122.41 1qie n HIS 513 Ca -0.15 -1.40 -0.11 0.00 -0.26 0.00 0.00 57.72 55.80 1qie n HIS 513 Cb 0.53 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.54 1qie n HIS 513 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1qie s GLN 514 N -2.83 0.43 -0.86 -0.41 -0.21 -1.26 -1.57 119.66 112.95 1qie s GLN 514 Ca 0.12 -0.29 -0.04 0.00 0.02 0.00 0.00 55.36 55.16 1qie s GLN 514 Cb 0.01 0.18 -0.01 0.00 1.00 0.00 0.00 33.01 34.19 1qie s GLN 514 CO 0.08 -0.10 0.71 0.54 -2.12 0.00 0.00 175.29 174.40 1qie n ARG 515 N 1.72 -1.43 -1.63 2.91 1.74 -0.89 -4.82 116.66 114.26 1qie n ARG 515 Ca -0.21 1.05 -0.52 0.00 -0.77 0.00 0.00 57.85 57.40 1qie n ARG 515 Cb 0.56 -4.48 -0.06 0.00 -1.02 0.00 0.00 32.46 27.45 1qie n ARG 515 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1qie n LEU 516 N -2.57 2.72 -4.38 0.55 7.94 -1.26 -2.27 117.00 117.72 1qie n LEU 516 Ca -0.11 0.85 -0.34 0.00 -1.11 0.00 0.00 56.01 55.30 1qie n LEU 516 Cb 0.58 -1.26 -0.09 0.00 0.53 0.00 0.00 43.42 43.18 1qie n LEU 516 CO 0.59 -0.37 -0.39 0.54 -1.11 0.00 0.00 177.39 176.65 1qie n ARG 517 N 6.64 -0.89 -0.12 1.96 1.74 -1.26 -4.86 116.66 119.88 1qie n ARG 517 Ca 0.29 0.11 -0.05 0.00 -0.77 0.00 0.00 57.85 57.42 1qie n ARG 517 Cb 0.22 -3.90 0.03 0.00 -1.02 0.00 0.00 32.46 27.78 1qie n ARG 517 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1qie h VAL 518 N -1.53 0.84 -0.23 1.55 -1.51 -1.82 -0.87 116.25 112.67 1qie h VAL 518 Ca -0.64 -0.08 0.06 0.00 -1.23 0.00 0.00 66.70 64.80 1qie h VAL 518 Cb 1.40 0.58 -0.07 0.00 -2.13 0.00 0.00 31.29 31.06 1qie h VAL 518 CO 0.76 0.04 -0.32 -0.61 -1.23 0.00 0.00 177.57 176.22 1qie h GLN 519 N 0.24 -0.32 -0.38 5.19 5.75 -1.89 0.65 115.11 124.35 1qie h GLN 519 Ca 0.18 0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.58 1qie h GLN 519 Cb 0.19 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 1qie h GLN 519 CO -0.22 -0.22 -0.23 0.52 -2.65 0.00 0.00 178.83 176.04 1qie h MET 520 N -0.33 0.83 -0.31 1.69 2.86 -1.92 -3.02 114.93 114.73 1qie h MET 520 Ca 0.12 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1qie h MET 520 Cb 0.54 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 1qie h MET 520 CO -0.42 1.02 0.12 0.00 1.06 0.00 0.00 176.91 178.69 1qie h VAL 522 N 0.44 1.29 -0.06 0.00 2.07 -0.80 0.26 116.25 119.43 1qie h VAL 522 Ca 0.11 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1qie h VAL 522 Cb 0.09 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1qie h VAL 522 CO -0.01 0.42 -0.02 0.15 0.02 0.00 0.00 177.57 178.12 1qie h PHE 523 N 0.22 0.14 -0.00 1.57 3.57 -0.96 -1.14 116.94 120.35 1qie h PHE 523 Ca 0.03 -0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.32 1qie h PHE 523 Cb 0.73 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1qie h PHE 523 CO 0.01 0.47 -0.80 -1.49 -2.23 0.00 0.00 178.31 174.28 1qie h TRP 524 N -0.23 0.03 0.00 0.41 4.06 -0.96 0.26 115.95 119.52 1qie h TRP 524 Ca 0.02 -0.02 -0.18 0.00 2.06 0.00 0.00 58.89 60.77 1qie h TRP 524 Cb 0.43 -0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.55 1qie h TRP 524 CO 0.06 0.81 -1.95 0.09 -3.56 0.00 0.00 178.44 173.89 1qie n ASN 525 N -3.60 0.27 -0.00 -3.49 3.02 0.90 -4.47 115.26 107.88 1qie n ASN 525 Ca -0.01 0.12 -0.04 0.00 -0.03 0.00 0.00 54.58 54.62 1qie n ASN 525 Cb 0.77 1.07 -0.01 0.00 -0.61 0.00 0.00 39.78 41.00 1qie n ASN 525 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qie n GLN 526 N -2.63 0.18 0.34 3.52 6.02 -0.49 -4.79 117.38 119.53 1qie n GLN 526 Ca -0.16 0.07 -0.14 0.00 -0.01 0.00 0.00 57.00 56.76 1qie n GLN 526 Cb 0.86 -0.82 -0.07 0.00 1.02 0.00 0.00 30.24 31.24 1qie n GLN 526 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1qie h PHE 527 N -0.34 -0.83 -0.46 1.08 3.57 -1.37 -3.12 116.94 115.46 1qie h PHE 527 Ca -0.04 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.52 1qie h PHE 527 Cb 0.47 0.27 -0.07 0.00 2.79 0.00 0.00 35.95 39.41 1qie h PHE 527 CO -0.13 -0.51 0.08 1.25 -2.23 0.00 0.00 178.31 176.77 1qie h LEU 528 N -1.23 -0.03 -0.99 0.59 5.85 -1.21 -0.30 115.31 117.99 1qie h LEU 528 Ca -0.09 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1qie h LEU 528 Cb 0.69 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.79 1qie h LEU 528 CO 0.15 0.02 0.64 -0.65 -0.34 0.00 0.00 178.44 178.26 1qie h PRO 529 N 0.21 1.20 -0.80 5.25 0.11 -1.78 -0.18 132.00 136.00 1qie h PRO 529 Ca 0.23 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 1qie h PRO 529 Cb 0.31 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 31.11 1qie h PRO 529 CO -0.32 0.79 0.31 -0.22 -0.21 0.00 0.00 178.00 178.36 1qie h LYS 530 N 1.24 1.20 -0.01 1.05 3.64 -1.24 -1.89 116.57 120.55 1qie h LYS 530 Ca 0.40 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1qie h LYS 530 Cb 0.02 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1qie h LYS 530 CO -0.13 0.97 0.00 1.25 -2.27 0.00 0.00 179.45 179.27 1qie h LEU 531 N 1.16 0.02 -1.68 5.20 6.46 -0.09 -1.80 115.31 124.58 1qie h LEU 531 Ca 0.26 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1qie h LEU 531 Cb 0.23 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1qie h LEU 531 CO -0.02 0.22 -0.02 -0.07 -0.62 0.00 0.00 178.44 177.93 1qie h LEU 532 N -0.19 0.16 -0.17 2.25 3.38 -0.97 -0.14 115.31 119.63 1qie h LEU 532 Ca 0.00 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 1qie h LEU 532 Cb 0.21 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1qie h LEU 532 CO -0.00 0.21 -0.94 -1.13 0.09 0.00 0.00 178.44 176.67 1qie h ASN 533 N 0.17 0.11 0.53 -0.43 -0.00 -1.21 -3.29 115.58 111.47 1qie h ASN 533 Ca 0.04 -0.10 -0.29 0.00 -0.00 0.00 0.00 56.30 55.95 1qie h ASN 533 Cb 0.15 -0.03 -0.00 0.00 -0.00 0.00 0.00 38.32 38.44 1qie h ASN 533 CO 0.00 0.98 -1.40 0.00 -0.00 0.00 0.00 177.43 177.02 1qie h ALA 534 N 1.01 0.20 -0.02 1.57 0.00 -0.93 -3.51 119.26 117.57 1qie h ALA 534 Ca -0.03 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.87 1qie h ALA 534 Cb 1.63 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1qie h ALA 534 CO 0.13 1.07 0.00 0.25 0.00 0.00 0.00 179.25 180.70