#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qr6 s LYS 24 N 0.00 1.31 1.14 5.31 -2.85 -1.26 -4.92 119.74 118.46 1qr6 s LYS 24 Ca 0.00 -0.74 0.00 0.00 -1.00 0.00 0.00 55.97 54.23 1qr6 s LYS 24 Cb 0.00 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.20 1qr6 s LYS 24 CO 0.00 -0.60 0.00 0.41 0.10 0.00 0.00 175.35 175.26 1qr6 n GLY 25 N -0.50 -1.63 0.16 0.59 0.00 0.13 -4.06 105.19 99.88 1qr6 n GLY 25 Ca -0.06 -1.23 0.06 0.00 0.00 0.00 0.00 46.02 44.80 1qr6 n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qr6 n LYS 26 N -1.65 -0.04 -0.17 1.61 4.81 -1.26 0.56 118.16 122.02 1qr6 n LYS 26 Ca 0.00 0.68 0.19 0.00 -0.87 0.00 0.00 58.31 58.31 1qr6 n LYS 26 Cb 0.12 -1.07 0.56 0.00 0.02 0.00 0.00 35.03 34.65 1qr6 n LYS 26 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1qr6 h PRO 27 N 0.00 0.30 -0.54 1.64 0.11 -2.00 -0.27 132.00 131.24 1qr6 h PRO 27 Ca 0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1qr6 h PRO 27 Cb 0.51 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1qr6 h PRO 27 CO -0.43 0.20 0.00 -0.11 -0.21 0.00 0.00 178.00 177.45 1qr6 n LEU 28 N -4.45 0.39 0.00 2.35 7.94 0.19 -2.83 117.00 120.59 1qr6 n LEU 28 Ca 0.16 -0.19 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 1qr6 n LEU 28 Cb 0.64 -0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.44 1qr6 n LEU 28 CO 0.33 0.08 0.00 0.18 -1.11 0.00 0.00 177.39 176.88 1qr6 n LEU 30 N 0.45 0.00 -4.28 -1.96 4.77 -0.11 -2.43 117.00 113.43 1qr6 n LEU 30 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1qr6 n LEU 30 Cb 0.08 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.05 1qr6 n LEU 30 CO 0.00 0.00 -0.28 0.21 -1.33 0.00 0.00 177.39 175.99 1qr6 s ASN 31 N 0.00 5.16 0.51 -1.43 2.47 -1.13 -4.98 114.94 115.54 1qr6 s ASN 31 Ca 0.00 -1.03 0.20 0.00 0.42 0.00 0.00 52.86 52.45 1qr6 s ASN 31 Cb 0.00 -1.84 1.29 0.00 -1.45 0.00 0.00 41.25 39.25 1qr6 s ASN 31 CO 0.00 -0.27 2.06 -0.65 -3.72 0.00 0.00 177.10 174.51 1qr6 h PRO 32 N 8.19 0.06 -0.42 0.43 0.11 -1.83 1.27 132.00 139.81 1qr6 h PRO 32 Ca -0.26 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.74 1qr6 h PRO 32 Cb 1.09 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1qr6 h PRO 32 CO 0.59 0.04 -0.19 0.00 -0.21 0.00 0.00 178.00 178.23 1qr6 h ARG 33 N 0.06 0.82 0.01 1.05 2.47 -1.93 -1.31 114.38 115.55 1qr6 h ARG 33 Ca 0.15 -0.32 -0.37 0.00 -1.26 0.00 0.00 59.98 58.18 1qr6 h ARG 33 Cb 0.52 -0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.74 1qr6 h ARG 33 CO -0.01 0.94 -2.35 0.25 0.56 0.00 0.00 179.97 179.37 1qr6 n THR 34 N -4.12 1.50 -1.64 2.04 -2.24 -0.68 -4.81 114.28 104.33 1qr6 n THR 34 Ca 0.00 -0.69 -0.52 0.00 -2.27 0.00 0.00 64.05 60.57 1qr6 n THR 34 Cb 0.42 -1.11 -0.06 0.00 -2.10 0.00 0.00 70.33 67.49 1qr6 n THR 34 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1qr6 n ASN 35 N -3.10 2.16 -0.03 3.42 5.15 0.43 -4.87 115.26 118.43 1qr6 n ASN 35 Ca -0.38 1.09 0.02 0.00 -0.60 0.00 0.00 54.58 54.71 1qr6 n ASN 35 Cb 1.06 -1.23 0.02 0.00 -0.53 0.00 0.00 39.78 39.10 1qr6 n ASN 35 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1qr6 n LYS 36 N 3.57 2.24 0.00 1.20 5.02 -1.26 -4.69 118.16 124.24 1qr6 n LYS 36 Ca 0.20 -1.53 0.00 0.00 -2.02 0.00 0.00 58.31 54.97 1qr6 n LYS 36 Cb 0.20 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 1qr6 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qr6 n GLY 37 N -0.57 0.00 4.53 0.72 0.00 -1.26 -3.57 105.19 105.05 1qr6 n GLY 37 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1qr6 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qr6 n ALA 39 N 0.00 0.00 -1.67 4.61 0.00 -1.24 -4.95 120.51 117.27 1qr6 n ALA 39 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 1qr6 n ALA 39 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1qr6 n ALA 39 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1qr6 n PHE 40 N -0.53 2.13 -1.65 0.00 3.01 -1.23 -4.77 117.46 114.42 1qr6 n PHE 40 Ca 0.00 0.44 -0.30 0.00 1.01 0.00 0.00 57.45 58.60 1qr6 n PHE 40 Cb 0.00 -2.46 0.09 0.00 -0.01 0.00 0.00 39.48 37.10 1qr6 n PHE 40 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1qr6 s THR 41 N -0.02 2.94 0.19 4.37 -4.23 -1.26 -4.79 115.64 112.83 1qr6 s THR 41 Ca 0.69 0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 61.38 1qr6 s THR 41 Cb -0.66 -3.12 0.10 0.00 1.34 0.00 0.00 72.50 70.16 1qr6 s THR 41 CO 0.49 -0.40 1.75 0.25 -0.54 0.00 0.00 174.62 176.17 1qr6 h LEU 42 N -1.05 0.21 -0.02 4.79 5.85 -1.98 0.89 115.31 124.01 1qr6 h LEU 42 Ca -0.47 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.34 1qr6 h LEU 42 Cb 1.28 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.31 1qr6 h LEU 42 CO 0.61 0.15 -0.18 1.56 -0.34 0.00 0.00 178.44 180.24 1qr6 h GLN 43 N 0.39 -0.27 -0.71 1.25 1.08 -1.99 0.91 115.11 115.76 1qr6 h GLN 43 Ca 0.25 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.48 1qr6 h GLN 43 Cb 0.27 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.72 1qr6 h GLN 43 CO -0.25 -0.18 0.47 0.93 -0.95 0.00 0.00 178.83 178.85 1qr6 h GLU 44 N -0.28 0.92 -0.19 1.46 5.08 -1.73 -2.85 114.58 116.99 1qr6 h GLU 44 Ca 0.06 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1qr6 h GLU 44 Cb 0.37 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1qr6 h GLU 44 CO -0.19 0.61 0.09 0.00 -1.00 0.00 0.00 179.01 178.53 1qr6 h ARG 45 N 0.95 0.27 -0.11 2.33 3.08 -0.36 0.37 114.38 120.91 1qr6 h ARG 45 Ca 0.27 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1qr6 h ARG 45 Cb -0.09 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1qr6 h ARG 45 CO -0.07 0.29 0.00 1.04 -1.07 0.00 0.00 179.97 180.17 1qr6 n GLN 46 N -4.88 0.17 0.00 0.04 6.02 0.27 -0.15 117.38 118.85 1qr6 n GLN 46 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1qr6 n GLN 46 Cb 0.09 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.30 1qr6 n GLN 46 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1qr6 n LEU 48 N 0.08 0.00 -0.32 1.08 4.32 0.13 -4.58 117.00 117.71 1qr6 n LEU 48 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.98 1qr6 n LEU 48 Cb 0.03 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 1qr6 n LEU 48 CO 0.00 0.00 -0.00 0.61 -1.22 0.00 0.00 177.39 176.78 1qr6 n GLY 49 N 0.00 0.61 0.00 -0.72 0.00 -0.76 0.19 105.19 104.51 1qr6 n GLY 49 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 46.02 45.28 1qr6 n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qr6 n LEU 50 N -0.35 0.10 -4.68 0.99 4.77 0.79 -4.09 117.00 114.52 1qr6 n LEU 50 Ca -0.00 -0.29 -0.49 0.00 -0.03 0.00 0.00 56.01 55.20 1qr6 n LEU 50 Cb 0.50 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 1qr6 n LEU 50 CO 0.01 0.03 1.45 1.67 -1.33 0.00 0.00 177.39 179.22 1qr6 n GLN 51 N -1.32 2.11 0.00 3.23 -0.06 -0.68 -0.24 117.38 120.43 1qr6 n GLN 51 Ca 0.00 0.77 0.00 0.00 -2.00 0.00 0.00 57.00 55.78 1qr6 n GLN 51 Cb 0.08 -2.60 0.00 0.00 -4.06 0.00 0.00 30.24 23.65 1qr6 n GLN 51 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1qr6 n GLY 52 N 4.30 2.83 0.20 1.69 0.00 -1.26 -4.88 105.19 108.07 1qr6 n GLY 52 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 1qr6 n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qr6 n LEU 53 N 0.00 0.96 -4.23 0.99 4.77 0.67 -4.88 117.00 115.27 1qr6 n LEU 53 Ca 0.00 -0.24 -0.23 0.00 -0.03 0.00 0.00 56.01 55.51 1qr6 n LEU 53 Cb 0.00 -0.14 -0.13 0.00 -2.33 0.00 0.00 43.42 40.82 1qr6 n LEU 53 CO 0.00 0.19 -0.50 -0.76 -1.33 0.00 0.00 177.39 174.99 1qr6 s LEU 54 N -2.61 2.23 0.35 2.23 1.43 -1.24 -5.11 118.68 115.96 1qr6 s LEU 54 Ca 0.21 -0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 52.46 1qr6 s LEU 54 Cb 0.19 -0.82 -0.12 0.00 0.03 0.00 0.00 46.19 45.47 1qr6 s LEU 54 CO 0.56 0.07 1.25 -2.65 0.23 0.00 0.00 176.35 175.82 1qr6 n PRO 55 N 1.53 2.02 0.00 1.29 -0.02 -1.26 -4.74 135.00 133.81 1qr6 n PRO 55 Ca -0.19 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1qr6 n PRO 55 Cb 0.54 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1qr6 n PRO 55 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1qr6 n PRO 56 N 0.50 0.00 -5.09 0.52 -0.04 -1.26 -4.72 135.00 124.91 1qr6 n PRO 56 Ca 0.05 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.23 1qr6 n PRO 56 Cb 0.36 -1.19 -0.16 0.00 -0.04 0.00 0.00 33.50 32.48 1qr6 n PRO 56 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1qr6 s LYS 57 N 0.30 1.84 -0.23 0.54 2.20 -1.26 -5.11 119.74 118.02 1qr6 s LYS 57 Ca 0.00 -0.87 -0.08 0.00 -0.36 0.00 0.00 55.97 54.67 1qr6 s LYS 57 Cb 0.00 -1.81 -0.03 0.00 -1.51 0.00 0.00 37.83 34.47 1qr6 s LYS 57 CO 0.00 0.49 0.08 0.42 -0.36 0.00 0.00 175.35 175.98 1qr6 s ILE 58 N -0.59 4.53 0.23 5.43 -1.09 -1.26 -4.84 121.20 123.60 1qr6 s ILE 58 Ca 0.09 -0.11 0.11 0.00 -2.23 0.00 0.00 60.65 58.52 1qr6 s ILE 58 Cb -0.09 -3.10 -0.05 0.00 -1.58 0.00 0.00 42.46 37.64 1qr6 s ILE 58 CO -0.00 0.36 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.25 1qr6 s GLU 59 N 1.27 1.54 0.38 2.79 2.02 -1.26 -5.02 118.70 120.43 1qr6 s GLU 59 Ca 0.05 -1.63 0.06 0.00 0.02 0.00 0.00 54.97 53.47 1qr6 s GLU 59 Cb -0.15 -1.68 -0.00 0.00 0.10 0.00 0.00 34.13 32.41 1qr6 s GLU 59 CO 0.04 0.33 0.54 0.95 0.02 0.00 0.00 175.26 177.14 1qr6 s THR 60 N -2.22 3.71 0.36 3.63 -4.23 -1.26 -3.64 115.64 111.99 1qr6 s THR 60 Ca 0.24 -0.91 0.38 0.00 -1.18 0.00 0.00 61.69 60.22 1qr6 s THR 60 Cb -0.06 -3.29 0.41 0.00 1.34 0.00 0.00 72.50 70.90 1qr6 s THR 60 CO 0.11 -0.13 2.15 -0.61 -0.54 0.00 0.00 174.62 175.61 1qr6 h GLN 61 N 0.71 0.00 -0.08 3.99 4.15 -1.96 -0.89 115.11 121.03 1qr6 h GLN 61 Ca -0.44 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 58.86 1qr6 h GLN 61 Cb 1.26 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.96 1qr6 h GLN 61 CO 0.51 0.01 -0.41 -0.44 -1.93 0.00 0.00 178.83 176.58 1qr6 h ASP 62 N 0.00 0.49 -0.45 -0.69 3.32 -1.98 -0.02 116.42 117.10 1qr6 h ASP 62 Ca -0.00 -0.65 -0.14 0.00 0.02 0.00 0.00 57.03 56.25 1qr6 h ASP 62 Cb 0.29 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1qr6 h ASP 62 CO 0.00 1.07 -0.28 0.40 -1.72 0.00 0.00 179.24 178.71 1qr6 h ILE 63 N -0.05 1.27 0.57 0.35 2.04 -1.83 0.21 117.51 120.07 1qr6 h ILE 63 Ca -0.03 -1.45 -0.03 0.00 1.00 0.00 0.00 64.86 64.35 1qr6 h ILE 63 Cb 1.06 1.22 0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1qr6 h ILE 63 CO 0.08 0.50 -0.27 1.56 0.00 0.00 0.00 178.15 180.02 1qr6 h GLN 64 N 0.83 -0.73 -0.47 2.37 4.20 -1.18 0.22 115.11 120.35 1qr6 h GLN 64 Ca 0.09 0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.93 1qr6 h GLN 64 Cb 0.87 0.17 -0.07 0.00 0.30 0.00 0.00 27.48 28.75 1qr6 h GLN 64 CO 0.08 -0.47 0.10 0.00 -0.67 0.00 0.00 178.83 177.87 1qr6 h ALA 65 N -0.40 0.53 -0.95 3.87 0.00 -0.96 -1.60 119.26 119.74 1qr6 h ALA 65 Ca -0.08 0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.04 1qr6 h ALA 65 Cb 0.61 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 1qr6 h ALA 65 CO 0.13 -0.31 0.59 1.25 0.00 0.00 0.00 179.25 180.91 1qr6 h LEU 66 N 0.23 0.87 -0.07 0.00 5.85 -0.67 0.24 115.31 121.75 1qr6 h LEU 66 Ca 0.24 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 1qr6 h LEU 66 Cb 0.31 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1qr6 h LEU 66 CO -0.31 0.48 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.14 1qr6 h ARG 67 N 0.96 0.15 0.00 1.25 2.43 -0.03 -1.76 114.38 117.37 1qr6 h ARG 67 Ca 0.46 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.49 1qr6 h ARG 67 Cb 0.42 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1qr6 h ARG 67 CO -0.25 0.54 -0.36 0.74 -1.51 0.00 0.00 179.97 179.12 1qr6 h PHE 68 N -0.24 0.00 0.46 2.20 -1.00 -1.03 -0.89 116.94 116.44 1qr6 h PHE 68 Ca 0.01 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 1qr6 h PHE 68 Cb 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.06 1qr6 h PHE 68 CO 0.07 0.36 -0.22 1.25 -1.61 0.00 0.00 178.31 178.17 1qr6 h HIS 69 N 0.00 -0.57 -0.89 -0.55 2.76 -0.47 0.21 115.15 115.64 1qr6 h HIS 69 Ca -0.00 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.29 1qr6 h HIS 69 Cb 0.74 0.19 -0.09 0.00 1.55 0.00 0.00 27.41 29.80 1qr6 h HIS 69 CO 0.00 -0.24 0.50 0.00 -1.30 0.00 0.00 177.93 176.88 1qr6 h ARG 70 N -0.95 0.71 -0.06 5.26 3.08 -1.22 0.20 114.38 121.39 1qr6 h ARG 70 Ca -0.06 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1qr6 h ARG 70 Cb 0.58 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1qr6 h ARG 70 CO 0.10 0.47 0.02 -0.91 -1.07 0.00 0.00 179.97 178.58 1qr6 h ASN 71 N 0.73 0.03 0.60 7.04 -0.26 -1.04 -2.63 115.58 120.04 1qr6 h ASN 71 Ca 0.48 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 56.19 1qr6 h ASN 71 Cb 0.62 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.88 1qr6 h ASN 71 CO -0.33 0.03 -0.15 0.25 -1.06 0.00 0.00 177.43 176.17 1qr6 h LEU 72 N 0.05 0.00 0.13 1.61 6.46 0.95 -2.73 115.31 121.78 1qr6 h LEU 72 Ca 0.02 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1qr6 h LEU 72 Cb 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1qr6 h LEU 72 CO -0.02 0.15 -0.06 0.50 -0.62 0.00 0.00 178.44 178.38 1qr6 h LYS 73 N 0.00 -0.16 -5.82 1.25 3.64 -0.36 -3.46 116.57 111.66 1qr6 h LYS 73 Ca -0.00 0.01 -0.37 0.00 -1.27 0.00 0.00 60.65 59.02 1qr6 h LYS 73 Cb 0.49 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 1qr6 h LYS 73 CO 0.02 0.16 0.94 0.15 -2.27 0.00 0.00 179.45 178.45 1qr6 s LYS 74 N -4.80 2.83 0.00 1.90 1.02 -1.02 -5.11 119.74 114.56 1qr6 s LYS 74 Ca -0.15 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.32 1qr6 s LYS 74 Cb 0.03 -5.14 0.00 0.00 -0.52 0.00 0.00 37.83 32.19 1qr6 s LYS 74 CO 0.62 -3.08 0.00 2.41 -0.92 0.00 0.00 175.35 174.38 1qr6 n THR 76 N 7.62 0.00 -2.56 2.17 -1.04 -1.26 -5.04 114.28 114.17 1qr6 n THR 76 Ca 0.38 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 62.00 1qr6 n THR 76 Cb 0.48 -0.16 -0.05 0.00 -1.82 0.00 0.00 70.33 68.78 1qr6 n THR 76 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1qr6 s SER 77 N 1.00 7.23 0.25 8.00 1.04 -1.26 -4.98 113.70 124.98 1qr6 s SER 77 Ca 0.00 2.13 -0.05 0.00 0.48 0.00 0.00 55.95 58.51 1qr6 s SER 77 Cb 0.00 -2.61 0.26 0.00 0.10 0.00 0.00 66.02 63.77 1qr6 s SER 77 CO 0.00 -0.16 1.83 -0.65 0.98 0.00 0.00 173.24 175.25 1qr6 h PRO 78 N 3.55 1.12 -0.98 4.02 0.11 -2.01 -2.44 132.00 135.36 1qr6 h PRO 78 Ca -0.47 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.47 1qr6 h PRO 78 Cb 1.21 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 1qr6 h PRO 78 CO 0.66 0.88 0.62 1.25 -0.21 0.00 0.00 178.00 181.20 1qr6 h LEU 79 N 1.10 1.15 0.60 2.35 5.85 -1.93 0.22 115.31 124.65 1qr6 h LEU 79 Ca 0.26 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1qr6 h LEU 79 Cb 0.14 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1qr6 h LEU 79 CO -0.03 0.85 -0.46 -0.08 -0.34 0.00 0.00 178.44 178.38 1qr6 h GLU 80 N 1.34 -0.99 -1.13 1.25 4.81 -1.88 0.14 114.58 118.11 1qr6 h GLU 80 Ca 0.35 0.07 0.36 0.00 -0.13 0.00 0.00 59.36 60.02 1qr6 h GLU 80 Cb -0.11 0.23 -0.13 0.00 0.63 0.00 0.00 28.75 29.36 1qr6 h GLU 80 CO -0.07 -0.66 0.70 0.87 -0.73 0.00 0.00 179.01 179.11 1qr6 h LYS 81 N -1.03 0.21 -0.06 1.92 1.79 -0.80 0.41 116.57 119.02 1qr6 h LYS 81 Ca -0.07 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.33 1qr6 h LYS 81 Cb 0.86 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1qr6 h LYS 81 CO 0.01 0.14 -0.16 -0.92 -1.08 0.00 0.00 179.45 177.44 1qr6 h TYR 82 N 0.22 0.27 -0.50 -1.35 3.20 0.32 -1.69 116.97 117.43 1qr6 h TYR 82 Ca 0.75 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 62.53 1qr6 h TYR 82 Cb 2.05 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 40.24 1qr6 h TYR 82 CO -0.01 0.78 0.33 0.82 -1.64 0.00 0.00 178.16 178.44 1qr6 h ILE 83 N -0.32 1.11 0.73 1.81 1.08 0.21 -3.09 117.51 119.06 1qr6 h ILE 83 Ca -0.00 -0.23 -0.03 0.00 -0.39 0.00 0.00 64.86 64.21 1qr6 h ILE 83 Cb 0.78 0.39 -0.00 0.00 -3.07 0.00 0.00 36.82 34.92 1qr6 h ILE 83 CO 0.03 0.12 -0.43 0.22 -0.69 0.00 0.00 178.15 177.40 1qr6 h TYR 84 N 0.66 -1.15 0.00 1.37 3.20 -0.35 -2.77 116.97 117.94 1qr6 h TYR 84 Ca 0.19 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1qr6 h TYR 84 Cb -0.06 0.41 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1qr6 h TYR 84 CO -0.05 -0.66 0.00 1.51 -1.64 0.00 0.00 178.16 177.32 1qr6 n ILE 85 N -5.58 0.40 0.00 1.81 3.06 -0.64 -3.02 119.36 115.39 1qr6 n ILE 85 Ca -0.14 -0.10 0.00 0.00 -2.50 0.00 0.00 62.75 60.01 1qr6 n ILE 85 Cb 0.46 -1.08 0.00 0.00 0.54 0.00 0.00 39.64 39.56 1qr6 n ILE 85 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1qr6 n GLY 87 N 1.86 0.00 0.17 4.50 0.00 -1.05 -2.73 105.19 107.95 1qr6 n GLY 87 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1qr6 n GLY 87 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qr6 h ILE 88 N 0.00 1.32 0.00 -0.61 2.04 -1.83 -3.15 117.51 115.27 1qr6 h ILE 88 Ca 0.00 -2.41 -0.03 0.00 1.00 0.00 0.00 64.86 63.42 1qr6 h ILE 88 Cb 0.00 2.53 -0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1qr6 h ILE 88 CO 0.00 0.73 -0.13 0.06 0.00 0.00 0.00 178.15 178.82 1qr6 h GLN 89 N 0.30 0.00 -0.15 2.37 -0.00 -1.74 0.16 115.11 116.05 1qr6 h GLN 89 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 1qr6 h GLN 89 Cb 1.76 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.24 1qr6 h GLN 89 CO 0.21 0.13 0.00 -0.85 -0.00 0.00 0.00 178.83 178.32 1qr6 n GLU 90 N -3.58 1.88 0.00 0.06 0.28 -1.20 -4.11 120.64 113.97 1qr6 n GLU 90 Ca -0.02 -1.32 0.00 0.00 -0.16 0.00 0.00 57.16 55.67 1qr6 n GLU 90 Cb 0.26 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.69 1qr6 n GLU 90 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1qr6 n ARG 91 N 0.55 2.41 -3.19 3.44 1.74 -0.72 -4.66 116.66 116.24 1qr6 n ARG 91 Ca 0.17 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.27 1qr6 n ARG 91 Cb 0.40 -0.86 -0.01 0.00 -1.02 0.00 0.00 32.46 30.97 1qr6 n ARG 91 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1qr6 s ASN 92 N -2.04 -1.54 0.17 0.55 3.84 0.48 -4.31 114.94 112.09 1qr6 s ASN 92 Ca 0.00 -0.54 -0.14 0.00 0.21 0.00 0.00 52.86 52.38 1qr6 s ASN 92 Cb 0.00 1.97 0.12 0.00 -0.55 0.00 0.00 41.25 42.79 1qr6 s ASN 92 CO 0.00 -0.20 1.74 -0.08 -2.79 0.00 0.00 177.10 175.77 1qr6 h GLU 93 N 7.21 0.28 0.12 0.43 4.81 -1.38 -1.55 114.58 124.51 1qr6 h GLU 93 Ca 0.03 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1qr6 h GLU 93 Cb 1.18 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 1qr6 h GLU 93 CO 0.11 0.19 -0.18 0.87 -0.73 0.00 0.00 179.01 179.27 1qr6 h LYS 94 N 0.29 -0.34 -0.50 1.92 1.79 -1.87 -2.04 116.57 115.81 1qr6 h LYS 94 Ca 0.21 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.75 1qr6 h LYS 94 Cb 0.22 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.90 1qr6 h LYS 94 CO -0.23 -0.23 0.23 1.25 -1.08 0.00 0.00 179.45 179.39 1qr6 h LEU 95 N -0.36 0.30 -0.40 2.94 5.85 -1.80 -0.80 115.31 121.05 1qr6 h LEU 95 Ca 0.02 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.86 1qr6 h LEU 95 Cb 0.36 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 1qr6 h LEU 95 CO -0.08 0.21 -0.15 0.15 -0.34 0.00 0.00 178.44 178.22 1qr6 h PHE 96 N 0.44 -0.37 0.00 1.25 3.57 -0.92 0.13 116.94 121.05 1qr6 h PHE 96 Ca 0.23 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.70 1qr6 h PHE 96 Cb 0.18 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1qr6 h PHE 96 CO -0.12 -0.23 -0.35 1.88 -2.23 0.00 0.00 178.31 177.26 1qr6 h TYR 97 N -0.07 0.00 0.03 0.41 -1.99 -1.02 -0.18 116.97 114.15 1qr6 h TYR 97 Ca 0.20 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.92 1qr6 h TYR 97 Cb 0.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.10 1qr6 h TYR 97 CO -0.40 0.35 -0.02 -0.09 -0.00 0.00 0.00 178.16 178.00 1qr6 h ARG 98 N 0.00 -0.04 0.17 4.88 9.65 0.03 -0.94 114.38 128.12 1qr6 h ARG 98 Ca -0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1qr6 h ARG 98 Cb 0.93 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.52 1qr6 h ARG 98 CO 0.05 0.28 -0.08 0.82 2.80 0.00 0.00 179.97 183.83 1qr6 h ILE 99 N -0.37 0.87 -0.86 1.20 2.04 -0.64 -0.03 117.51 119.72 1qr6 h ILE 99 Ca -0.00 -0.16 0.15 0.00 1.00 0.00 0.00 64.86 65.85 1qr6 h ILE 99 Cb 0.34 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 1qr6 h ILE 99 CO 0.01 0.04 0.56 0.25 0.00 0.00 0.00 178.15 179.00 1qr6 h LEU 100 N -0.31 0.55 0.00 1.44 5.85 -1.03 -0.07 115.31 121.74 1qr6 h LEU 100 Ca -0.02 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1qr6 h LEU 100 Cb 0.24 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1qr6 h LEU 100 CO 0.04 0.27 -0.61 1.56 -0.34 0.00 0.00 178.44 179.36 1qr6 h GLN 101 N 0.58 0.00 0.00 1.25 4.20 -0.88 -2.89 115.11 117.36 1qr6 h GLN 101 Ca 0.43 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.10 1qr6 h GLN 101 Cb 0.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1qr6 h GLN 101 CO -0.18 0.00 -0.22 -0.44 -0.67 0.00 0.00 178.83 177.32 1qr6 h ASP 102 N 0.00 0.00 -1.51 1.46 3.32 0.97 -3.32 116.42 117.34 1qr6 h ASP 102 Ca 0.00 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.61 1qr6 h ASP 102 Cb 0.85 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.07 1qr6 h ASP 102 CO 0.00 0.22 -1.00 -0.67 -1.72 0.00 0.00 179.24 176.07 1qr6 n ASP 103 N -3.29 -0.14 0.02 6.45 2.03 -1.12 -5.01 116.55 115.49 1qr6 n ASP 103 Ca 0.01 -3.08 -0.11 0.00 0.52 0.00 0.00 54.79 52.13 1qr6 n ASP 103 Cb 0.48 -0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.82 1qr6 n ASP 103 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1qr6 h ILE 104 N 1.72 0.91 -0.53 5.18 6.09 -1.61 -1.24 117.51 128.03 1qr6 h ILE 104 Ca 0.04 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.56 1qr6 h ILE 104 Cb 0.98 0.91 -0.04 0.00 0.47 0.00 0.00 36.82 39.14 1qr6 h ILE 104 CO 0.41 0.00 0.31 -0.08 -3.07 0.00 0.00 178.15 175.73 1qr6 h GLU 105 N -0.03 0.60 0.00 2.19 4.81 -1.84 -2.98 114.58 117.33 1qr6 h GLU 105 Ca 0.03 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1qr6 h GLU 105 Cb 0.07 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1qr6 h GLU 105 CO -0.06 0.40 -0.64 0.66 -0.73 0.00 0.00 179.01 178.63 1qr6 h SER 106 N 0.62 0.00 -0.67 1.04 4.64 -1.95 -3.37 113.55 113.86 1qr6 h SER 106 Ca 0.21 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.16 1qr6 h SER 106 Cb 0.04 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.98 1qr6 h SER 106 CO -0.10 0.64 0.35 0.18 -0.87 0.00 0.00 176.83 177.02 1qr6 n LEU 107 N -3.31 6.37 0.00 5.97 7.99 -0.47 -4.14 117.00 129.41 1qr6 n LEU 107 Ca 0.01 -3.57 0.00 0.00 -0.01 0.00 0.00 56.01 52.44 1qr6 n LEU 107 Cb 0.77 -1.15 0.00 0.00 -0.11 0.00 0.00 43.42 42.93 1qr6 n LEU 107 CO 0.42 1.45 0.00 -0.81 -1.51 0.00 0.00 177.39 176.94 1qr6 n PRO 109 N 0.72 0.00 -0.04 3.23 -0.04 -1.26 -0.92 135.00 136.68 1qr6 n PRO 109 Ca 0.38 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.81 1qr6 n PRO 109 Cb 0.59 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.03 1qr6 n PRO 109 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1qr6 h ILE 110 N 0.00 0.24 -0.81 0.52 1.08 -1.93 0.11 117.51 116.72 1qr6 h ILE 110 Ca 0.00 -1.15 0.01 0.00 -0.39 0.00 0.00 64.86 63.33 1qr6 h ILE 110 Cb 0.00 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.15 1qr6 h ILE 110 CO 0.00 0.08 0.54 0.58 -0.69 0.00 0.00 178.15 178.66 1qr6 h VAL 111 N -1.00 1.19 0.00 1.67 2.07 -1.39 -3.23 116.25 115.56 1qr6 h VAL 111 Ca -0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1qr6 h VAL 111 Cb 0.15 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1qr6 h VAL 111 CO 0.00 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1qr6 n TYR 112 N -4.42 0.00 0.00 1.57 9.36 -1.26 -4.52 117.16 117.89 1qr6 n TYR 112 Ca 0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.31 1qr6 n TYR 112 Cb 0.05 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.76 1qr6 n TYR 112 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1qr6 n THR 113 N 0.00 0.00 -0.13 2.97 -1.04 -1.26 -1.81 114.28 113.01 1qr6 n THR 113 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 1qr6 n THR 113 Cb 0.00 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.39 1qr6 n THR 113 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1qr6 n PRO 114 N 0.00 0.64 -0.14 -2.82 -0.04 -1.19 -4.56 135.00 126.89 1qr6 n PRO 114 Ca 0.00 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.75 1qr6 n PRO 114 Cb 0.00 -1.52 0.43 0.00 -0.04 0.00 0.00 33.50 32.36 1qr6 n PRO 114 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1qr6 h THR 115 N -0.31 0.95 -0.57 0.52 2.02 -0.52 -2.34 112.91 112.65 1qr6 h THR 115 Ca -0.61 -0.20 0.11 0.00 0.77 0.00 0.00 66.41 66.49 1qr6 h THR 115 Cb 1.81 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 1qr6 h THR 115 CO -0.18 0.11 0.39 1.62 0.37 0.00 0.00 175.52 177.82 1qr6 h VAL 116 N 0.58 0.85 -0.05 3.16 3.04 -1.37 -0.24 116.25 122.22 1qr6 h VAL 116 Ca 0.30 -0.10 -0.11 0.00 -1.01 0.00 0.00 66.70 65.78 1qr6 h VAL 116 Cb 0.42 0.53 -0.01 0.00 -2.01 0.00 0.00 31.29 30.22 1qr6 h VAL 116 CO -0.10 0.05 -0.48 1.23 -1.01 0.00 0.00 177.57 177.26 1qr6 h GLY 117 N 0.29 0.15 1.09 3.17 0.00 -1.66 -1.98 103.07 104.13 1qr6 h GLY 117 Ca 0.27 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 47.32 1qr6 h GLY 117 CO -0.06 0.14 -0.18 -2.00 0.00 0.00 0.00 176.54 174.44 1qr6 h LEU 118 N 0.11 1.00 -0.91 3.11 7.12 -1.14 -2.91 115.31 121.69 1qr6 h LEU 118 Ca 0.00 -0.38 -0.01 0.00 0.13 0.00 0.00 57.88 57.62 1qr6 h LEU 118 Cb 0.90 -0.27 -0.04 0.00 -0.53 0.00 0.00 40.66 40.71 1qr6 h LEU 118 CO 0.07 1.16 0.52 0.00 -0.13 0.00 0.00 178.44 180.05 1qr6 h ALA 119 N 0.87 1.17 -0.13 1.25 0.00 -1.04 -2.31 119.26 119.07 1qr6 h ALA 119 Ca 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1qr6 h ALA 119 Cb 0.75 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1qr6 h ALA 119 CO 0.06 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.97 1qr6 h SER 121 N 0.18 0.25 0.73 0.00 0.02 -1.35 -3.17 113.55 110.22 1qr6 h SER 121 Ca 0.05 -0.15 -0.24 0.00 -0.84 0.00 0.00 61.79 60.61 1qr6 h SER 121 Cb 0.13 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1qr6 h SER 121 CO 0.00 0.81 -1.08 1.56 -1.14 0.00 0.00 176.83 176.98 1qr6 h GLN 122 N 0.16 0.17 -2.26 3.45 1.08 -0.87 -3.48 115.11 113.37 1qr6 h GLN 122 Ca -0.01 -0.26 -0.29 0.00 -1.45 0.00 0.00 58.65 56.64 1qr6 h GLN 122 Cb 1.14 0.09 0.02 0.00 -0.05 0.00 0.00 27.48 28.69 1qr6 h GLN 122 CO 0.10 1.09 -0.01 0.66 -0.95 0.00 0.00 178.83 179.72 1qr6 n TYR 123 N -3.51 0.18 0.00 2.96 4.02 0.99 0.33 117.16 122.13 1qr6 n TYR 123 Ca -0.05 0.39 0.00 0.00 -0.01 0.00 0.00 57.90 58.24 1qr6 n TYR 123 Cb 0.95 -0.78 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 1qr6 n TYR 123 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qr6 n GLY 124 N 0.59 3.09 0.20 2.72 0.00 -1.26 -4.74 105.19 105.79 1qr6 n GLY 124 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1qr6 n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qr6 n HIS 125 N -0.73 0.00 0.12 1.61 8.25 0.15 -4.54 115.22 120.08 1qr6 n HIS 125 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.56 1qr6 n HIS 125 Cb 0.00 -0.86 0.03 0.00 1.12 0.00 0.00 29.99 30.28 1qr6 n HIS 125 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 1qr6 h ILE 126 N -0.49 0.08 -0.63 1.59 3.07 -1.84 -3.48 117.51 115.82 1qr6 h ILE 126 Ca -0.56 -1.14 -0.78 0.00 1.55 0.00 0.00 64.86 63.92 1qr6 h ILE 126 Cb 1.64 1.69 -0.01 0.00 -0.27 0.00 0.00 36.82 39.87 1qr6 h ILE 126 CO -0.24 0.05 0.82 0.33 -1.05 0.00 0.00 178.15 178.05 1qr6 n PHE 127 N -2.80 1.44 -0.02 0.16 7.35 -1.26 -4.89 117.46 117.44 1qr6 n PHE 127 Ca -0.00 0.95 -0.06 0.00 -0.76 0.00 0.00 57.45 57.58 1qr6 n PHE 127 Cb 0.58 -2.07 -0.02 0.00 0.35 0.00 0.00 39.48 38.32 1qr6 n PHE 127 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1qr6 n ARG 128 N 4.72 0.25 -3.93 -4.13 1.74 -1.26 -4.92 116.66 109.13 1qr6 n ARG 128 Ca 0.36 0.10 -0.10 0.00 -0.77 0.00 0.00 57.85 57.43 1qr6 n ARG 128 Cb -0.05 -0.93 -0.12 0.00 -1.02 0.00 0.00 32.46 30.33 1qr6 n ARG 128 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1qr6 s ARG 129 N -2.39 0.17 0.60 5.56 3.52 -1.26 -5.15 118.95 120.01 1qr6 s ARG 129 Ca -0.14 -0.32 -0.19 0.00 -0.13 0.00 0.00 55.73 54.95 1qr6 s ARG 129 Cb 0.03 0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.45 1qr6 s ARG 129 CO 0.20 -0.03 1.22 -2.14 -0.81 0.00 0.00 175.30 173.74 1qr6 s PRO 130 N -0.79 2.94 0.00 5.12 0.02 -1.26 -4.98 135.00 136.05 1qr6 s PRO 130 Ca -0.09 1.86 0.00 0.00 0.02 0.00 0.00 61.00 62.79 1qr6 s PRO 130 Cb -0.05 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1qr6 s PRO 130 CO -0.00 -1.24 0.15 1.63 -0.33 0.00 0.00 177.00 177.21 1qr6 n LYS 131 N -1.60 0.99 0.00 5.54 5.02 -1.26 -5.13 118.16 121.72 1qr6 n LYS 131 Ca 0.14 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1qr6 n LYS 131 Cb 0.49 -0.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.94 1qr6 n LYS 131 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qr6 n GLY 132 N 0.19 4.99 3.36 0.72 0.00 -1.26 -4.80 105.19 108.38 1qr6 n GLY 132 Ca 0.00 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 1qr6 n GLY 132 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qr6 s LEU 133 N 0.00 2.96 -0.29 0.99 2.96 0.39 -5.01 118.68 120.69 1qr6 s LEU 133 Ca 0.00 -0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 53.48 1qr6 s LEU 133 Cb 0.00 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1qr6 s LEU 133 CO 0.00 0.04 0.17 -0.36 -1.32 0.00 0.00 176.35 174.88 1qr6 s PHE 134 N 1.13 3.19 -0.17 5.38 0.40 -1.26 -2.18 117.98 124.47 1qr6 s PHE 134 Ca 0.02 -0.10 -0.02 0.00 -0.60 0.00 0.00 56.93 56.23 1qr6 s PHE 134 Cb -0.15 -2.36 -0.01 0.00 0.51 0.00 0.00 43.02 41.01 1qr6 s PHE 134 CO -0.00 -0.26 -0.09 0.42 0.70 0.00 0.00 175.22 175.98 1qr6 s ILE 135 N 1.71 3.18 0.08 0.64 1.01 -0.78 -5.02 121.20 122.03 1qr6 s ILE 135 Ca 0.07 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 60.20 1qr6 s ILE 135 Cb -0.16 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 1qr6 s ILE 135 CO 0.09 0.49 -0.14 -0.55 0.00 0.00 0.00 174.94 174.83 1qr6 s SER 136 N 0.82 4.15 0.00 3.58 0.15 -1.26 -0.36 113.70 120.78 1qr6 s SER 136 Ca -0.03 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1qr6 s SER 136 Cb -0.15 -0.73 0.00 0.00 -1.71 0.00 0.00 66.02 63.43 1qr6 s SER 136 CO 0.01 0.21 0.91 0.00 1.20 0.00 0.00 173.24 175.57 1qr6 n ILE 137 N 1.02 1.66 0.08 6.45 0.13 0.81 0.56 119.36 130.08 1qr6 n ILE 137 Ca -0.15 0.47 -0.05 0.00 -1.10 0.00 0.00 62.75 61.92 1qr6 n ILE 137 Cb 0.52 -1.47 -0.04 0.00 -0.84 0.00 0.00 39.64 37.82 1qr6 n ILE 137 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1qr6 h SER 138 N 0.00 0.00 -0.40 9.51 0.02 -1.93 -3.20 113.55 117.54 1qr6 h SER 138 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1qr6 h SER 138 Cb 0.11 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.57 1qr6 h SER 138 CO 0.00 0.88 0.17 0.47 -1.14 0.00 0.00 176.83 177.21 1qr6 n ASP 139 N -3.46 3.43 -4.72 3.07 8.00 0.19 -4.94 116.55 118.11 1qr6 n ASP 139 Ca -0.00 -2.65 -0.42 0.00 0.71 0.00 0.00 54.79 52.43 1qr6 n ASP 139 Cb 0.85 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1qr6 n ASP 139 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qr6 s ARG 140 N -1.81 4.36 0.00 -1.24 1.70 -1.21 -1.51 118.95 119.23 1qr6 s ARG 140 Ca 0.29 2.02 0.00 0.00 -0.47 0.00 0.00 55.73 57.56 1qr6 s ARG 140 Cb 0.23 -3.25 0.00 0.00 -0.57 0.00 0.00 34.95 31.36 1qr6 s ARG 140 CO 0.07 -0.35 0.00 0.41 -1.08 0.00 0.00 175.30 174.35 1qr6 n GLY 141 N 3.12 2.94 0.45 3.88 0.00 -1.26 -4.84 105.19 109.48 1qr6 n GLY 141 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.18 1qr6 n GLY 141 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qr6 n HIS 142 N -1.98 0.00 0.18 1.61 8.25 -0.57 -4.79 115.22 117.91 1qr6 n HIS 142 Ca 0.00 -0.96 0.05 0.00 -0.26 0.00 0.00 57.72 56.55 1qr6 n HIS 142 Cb 0.00 -0.17 0.47 0.00 1.12 0.00 0.00 29.99 31.42 1qr6 n HIS 142 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1qr6 h VAL 143 N 2.05 1.13 -0.54 1.59 2.07 -1.82 -2.53 116.25 118.21 1qr6 h VAL 143 Ca -0.02 -0.58 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 1qr6 h VAL 143 Cb 1.15 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1qr6 h VAL 143 CO 0.01 0.18 -0.03 -0.09 0.02 0.00 0.00 177.57 177.65 1qr6 h ARG 144 N 0.11 0.94 0.34 1.57 9.65 -1.91 0.40 114.38 125.48 1qr6 h ARG 144 Ca 0.02 -0.30 -0.01 0.00 -1.10 0.00 0.00 59.98 58.60 1qr6 h ARG 144 Cb 0.28 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 1qr6 h ARG 144 CO 0.02 0.95 -0.25 0.66 2.80 0.00 0.00 179.97 184.15 1qr6 h SER 145 N 0.86 -0.64 -0.12 -3.80 4.64 -1.82 0.29 113.55 112.96 1qr6 h SER 145 Ca 0.15 0.05 0.05 0.00 -0.47 0.00 0.00 61.79 61.56 1qr6 h SER 145 Cb 0.55 0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 62.79 1qr6 h SER 145 CO 0.03 -0.38 -0.28 0.40 -0.87 0.00 0.00 176.83 175.73 1qr6 h ILE 146 N -0.58 0.35 -0.74 0.95 2.04 -1.38 -0.78 117.51 117.37 1qr6 h ILE 146 Ca -0.03 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.97 1qr6 h ILE 146 Cb 0.50 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 1qr6 h ILE 146 CO 0.00 0.00 0.50 0.58 0.00 0.00 0.00 178.15 179.23 1qr6 h VAL 147 N -0.36 0.81 0.00 1.67 2.07 -0.59 0.25 116.25 120.11 1qr6 h VAL 147 Ca 0.09 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1qr6 h VAL 147 Cb 0.50 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1qr6 h VAL 147 CO -0.32 0.08 0.00 0.44 0.02 0.00 0.00 177.57 177.79 1qr6 h ASP 148 N 0.44 0.00 1.37 0.57 3.32 0.10 -2.75 116.42 119.48 1qr6 h ASP 148 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1qr6 h ASP 148 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1qr6 h ASP 148 CO -0.12 0.00 0.00 0.78 -1.72 0.00 0.00 179.24 178.18 1qr6 h ASN 149 N 0.00 0.00 -2.50 6.45 2.35 0.06 -3.44 115.58 118.51 1qr6 h ASN 149 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 1qr6 h ASN 149 Cb 0.54 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.92 1qr6 h ASN 149 CO 0.00 0.00 1.15 0.86 -1.65 0.00 0.00 177.43 177.79 1qr6 s TRP 150 N -3.23 1.69 -0.77 1.19 -0.11 -1.04 -4.85 118.94 111.81 1qr6 s TRP 150 Ca 0.07 -0.13 0.10 0.00 1.22 0.00 0.00 56.10 57.37 1qr6 s TRP 150 Cb 0.10 -4.10 0.48 0.00 -1.50 0.00 0.00 33.47 28.45 1qr6 s TRP 150 CO 0.56 -4.75 1.31 -0.35 -4.62 0.00 0.00 176.95 169.10 1qr6 n PRO 151 N 7.10 0.05 -3.70 5.86 -0.04 -1.26 -4.69 135.00 138.33 1qr6 n PRO 151 Ca 0.18 0.47 -0.37 0.00 -0.04 0.00 0.00 63.50 63.75 1qr6 n PRO 151 Cb 0.41 -1.64 -0.06 0.00 -0.04 0.00 0.00 33.50 32.17 1qr6 n PRO 151 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1qr6 s GLU 152 N -3.15 3.81 -0.02 0.54 8.01 -1.26 -5.00 118.70 121.62 1qr6 s GLU 152 Ca 0.01 0.04 0.21 0.00 0.01 0.00 0.00 54.97 55.25 1qr6 s GLU 152 Cb 0.04 -3.27 -0.28 0.00 -4.31 0.00 0.00 34.13 26.31 1qr6 s GLU 152 CO 0.14 0.59 0.51 0.09 0.01 0.00 0.00 175.26 176.60 1qr6 n ASN 153 N 2.44 0.15 -3.20 -0.19 4.13 -1.26 -4.63 115.26 112.69 1qr6 n ASN 153 Ca -0.16 0.06 -0.29 0.00 1.68 0.00 0.00 54.58 55.86 1qr6 n ASN 153 Cb 0.53 1.59 -0.04 0.00 -1.54 0.00 0.00 39.78 40.32 1qr6 n ASN 153 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1qr6 n HIS 154 N -2.40 3.73 -2.41 3.10 -0.00 -1.26 -4.88 115.22 111.09 1qr6 n HIS 154 Ca -0.08 -3.82 -0.43 0.00 0.46 0.00 0.00 57.72 53.86 1qr6 n HIS 154 Cb 0.66 -0.62 -0.02 0.00 -0.12 0.00 0.00 29.99 29.88 1qr6 n HIS 154 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1qr6 s VAL 155 N -3.83 4.21 -0.04 3.57 1.01 -1.26 -4.59 120.40 119.47 1qr6 s VAL 155 Ca 0.45 1.50 0.15 0.00 0.00 0.00 0.00 61.98 64.07 1qr6 s VAL 155 Cb 0.22 -3.96 -0.23 0.00 0.00 0.00 0.00 36.38 32.41 1qr6 s VAL 155 CO -0.09 -0.08 0.28 0.29 0.00 0.00 0.00 175.10 175.50 1qr6 n LYS 156 N 6.07 0.69 -3.62 2.72 4.76 0.23 -4.85 118.16 124.17 1qr6 n LYS 156 Ca 0.13 -0.11 -0.21 0.00 -2.87 0.00 0.00 58.31 55.25 1qr6 n LYS 156 Cb 0.45 -1.36 -0.16 0.00 -1.84 0.00 0.00 35.03 32.12 1qr6 n LYS 156 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qr6 s ALA 157 N -2.92 0.09 -0.07 7.82 0.00 -0.09 -2.63 121.76 123.95 1qr6 s ALA 157 Ca -0.06 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.06 1qr6 s ALA 157 Cb 0.09 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 1qr6 s ALA 157 CO 0.62 -0.86 -0.09 0.08 0.00 0.00 0.00 175.76 175.51 1qr6 s VAL 158 N 2.22 3.51 -0.18 0.00 1.01 0.13 -0.56 120.40 126.53 1qr6 s VAL 158 Ca 0.04 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1qr6 s VAL 158 Cb -0.14 -2.43 0.04 0.00 0.00 0.00 0.00 36.38 33.85 1qr6 s VAL 158 CO -0.07 0.59 -0.11 -0.69 0.00 0.00 0.00 175.10 174.81 1qr6 s VAL 159 N -0.65 1.56 0.13 2.92 1.01 -0.95 0.13 120.40 124.54 1qr6 s VAL 159 Ca 0.10 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.28 1qr6 s VAL 159 Cb -0.11 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1qr6 s VAL 159 CO 0.01 0.25 0.02 -0.69 0.00 0.00 0.00 175.10 174.70 1qr6 s VAL 160 N 1.45 4.02 -0.12 2.92 1.01 0.11 -1.05 120.40 128.75 1qr6 s VAL 160 Ca 0.01 -1.12 -0.26 0.00 0.00 0.00 0.00 61.98 60.60 1qr6 s VAL 160 Cb -0.15 -2.97 0.06 0.00 0.00 0.00 0.00 36.38 33.32 1qr6 s VAL 160 CO -0.09 0.01 0.63 0.28 0.00 0.00 0.00 175.10 175.93 1qr6 s THR 161 N -1.51 0.01 -1.41 3.92 -1.32 -1.01 -0.56 115.64 113.76 1qr6 s THR 161 Ca 0.27 -0.05 0.15 0.00 -1.21 0.00 0.00 61.69 60.85 1qr6 s THR 161 Cb -0.11 -0.92 0.36 0.00 -1.51 0.00 0.00 72.50 70.32 1qr6 s THR 161 CO 0.19 -0.03 1.27 -0.90 -2.21 0.00 0.00 174.62 172.95 1qr6 n ASP 162 N 1.65 3.06 -1.79 8.08 5.75 -1.26 -1.41 116.55 130.63 1qr6 n ASP 162 Ca -0.17 -1.92 -0.20 0.00 -0.01 0.00 0.00 54.79 52.48 1qr6 n ASP 162 Cb 0.56 -0.25 -0.07 0.00 -1.03 0.00 0.00 41.12 40.34 1qr6 n ASP 162 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qr6 n GLY 163 N 0.89 1.32 0.16 6.12 0.00 -1.25 -4.69 105.19 107.74 1qr6 n GLY 163 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 1qr6 n GLY 163 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qr6 h GLU 164 N 0.00 0.00 -1.91 1.61 4.81 -1.77 -1.15 114.58 116.17 1qr6 h GLU 164 Ca -0.43 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.29 1qr6 h GLU 164 Cb 1.32 0.00 -0.34 0.00 0.63 0.00 0.00 28.75 30.36 1qr6 h GLU 164 CO 0.59 0.49 -0.94 0.54 -0.73 0.00 0.00 179.01 178.96 1qr6 n ARG 165 N -3.61 0.46 -2.61 1.92 1.74 -1.02 -2.42 116.66 111.11 1qr6 n ARG 165 Ca -0.00 -2.97 -0.43 0.00 -0.77 0.00 0.00 57.85 53.68 1qr6 n ARG 165 Cb 0.57 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 30.53 1qr6 n ARG 165 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1qr6 s ILE 166 N -0.27 4.22 0.00 0.55 1.09 0.28 -4.55 121.20 122.53 1qr6 s ILE 166 Ca 0.33 1.22 0.00 0.00 -1.10 0.00 0.00 60.65 61.10 1qr6 s ILE 166 Cb 0.10 -4.60 0.00 0.00 -1.06 0.00 0.00 42.46 36.90 1qr6 s ILE 166 CO -0.16 -0.99 0.00 0.18 -0.10 0.00 0.00 174.94 173.87 1qr6 n LEU 167 N 7.79 0.00 0.06 2.97 4.77 -1.26 -0.92 117.00 130.40 1qr6 n LEU 167 Ca 0.12 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.17 1qr6 n LEU 167 Cb 0.49 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 1qr6 n LEU 167 CO 0.71 0.00 -0.24 0.61 -1.33 0.00 0.00 177.39 177.14 1qr6 n GLY 168 N 0.00 -1.29 0.21 -0.72 0.00 -1.26 -4.21 105.19 97.91 1qr6 n GLY 168 Ca 0.00 -0.25 0.15 0.00 0.00 0.00 0.00 46.02 45.92 1qr6 n GLY 168 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qr6 h LEU 169 N 0.00 0.00 0.00 0.99 -0.00 -1.42 -3.48 115.31 111.40 1qr6 h LEU 169 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1qr6 h LEU 169 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 1qr6 h LEU 169 CO 0.01 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.06 1qr6 n GLY 170 N -0.78 0.03 3.55 0.83 0.00 -0.88 -4.76 105.19 103.18 1qr6 n GLY 170 Ca -0.01 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 1qr6 n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qr6 s ASP 171 N -4.00 6.31 -0.33 1.61 -1.08 -1.02 0.10 116.67 118.27 1qr6 s ASP 171 Ca 0.00 -0.24 0.08 0.00 -0.52 0.00 0.00 52.55 51.87 1qr6 s ASP 171 Cb 0.00 -2.53 0.57 0.00 -1.46 0.00 0.00 42.92 39.50 1qr6 s ASP 171 CO 0.00 -1.56 1.60 0.18 0.52 0.00 0.00 175.17 175.91 1qr6 n LEU 172 N 8.56 4.91 0.00 -1.34 4.77 -0.44 -4.46 117.00 129.00 1qr6 n LEU 172 Ca 0.05 -3.66 0.00 0.00 -0.03 0.00 0.00 56.01 52.37 1qr6 n LEU 172 Cb 0.48 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1qr6 n LEU 172 CO 0.70 1.14 0.00 0.61 -1.33 0.00 0.00 177.39 178.51 1qr6 n GLY 173 N -1.04 1.48 0.00 -0.72 0.00 -1.21 -0.70 105.19 103.00 1qr6 n GLY 173 Ca 0.40 -0.35 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1qr6 n GLY 173 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qr6 n VAL 174 N 0.00 1.03 0.63 1.61 0.24 -1.26 -1.25 118.33 119.33 1qr6 n VAL 174 Ca 0.00 0.26 0.09 0.00 -2.04 0.00 0.00 64.34 62.64 1qr6 n VAL 174 Cb 0.00 -1.12 0.38 0.00 -1.47 0.00 0.00 33.84 31.63 1qr6 n VAL 174 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1qr6 n TYR 175 N -1.35 0.00 -0.83 6.34 0.53 0.12 -4.69 117.16 117.28 1qr6 n TYR 175 Ca 0.03 0.00 -0.35 0.00 -1.02 0.00 0.00 57.90 56.56 1qr6 n TYR 175 Cb 0.07 -0.48 -0.06 0.00 -1.03 0.00 0.00 39.34 37.85 1qr6 n TYR 175 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1qr6 n GLY 176 N 0.31 2.21 3.20 2.72 0.00 -0.38 -4.64 105.19 108.60 1qr6 n GLY 176 Ca 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1qr6 n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qr6 n GLY 178 N 4.41 0.00 0.21 -0.02 0.00 -1.26 -3.95 105.19 104.58 1qr6 n GLY 178 Ca 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.37 1qr6 n GLY 178 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qr6 h ILE 179 N 0.00 0.11 -0.92 -0.61 1.08 -1.90 -2.24 117.51 113.04 1qr6 h ILE 179 Ca 0.00 -0.71 0.15 0.00 -0.39 0.00 0.00 64.86 63.91 1qr6 h ILE 179 Cb 0.00 0.19 -0.08 0.00 -3.07 0.00 0.00 36.82 33.86 1qr6 h ILE 179 CO 0.00 0.03 0.59 -0.65 -0.69 0.00 0.00 178.15 177.43 1qr6 h PRO 180 N -1.10 0.71 -0.10 2.37 0.11 -1.87 0.21 132.00 132.34 1qr6 h PRO 180 Ca -0.05 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1qr6 h PRO 180 Cb 0.40 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 1qr6 h PRO 180 CO 0.08 0.47 0.06 0.28 -0.21 0.00 0.00 178.00 178.68 1qr6 h VAL 181 N 0.73 1.04 -0.14 3.15 2.07 -1.89 -0.99 116.25 120.22 1qr6 h VAL 181 Ca 0.47 -0.10 -0.19 0.00 0.82 0.00 0.00 66.70 67.70 1qr6 h VAL 181 Cb 0.72 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1qr6 h VAL 181 CO -0.23 0.04 -0.68 1.23 0.02 0.00 0.00 177.57 177.96 1qr6 h GLY 182 N 0.11 0.61 0.44 2.17 0.00 -0.72 -2.22 103.07 103.47 1qr6 h GLY 182 Ca 0.04 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 1qr6 h GLY 182 CO -0.01 0.72 -0.50 1.70 0.00 0.00 0.00 176.54 178.45 1qr6 h LYS 183 N 0.40 -0.91 -0.81 4.80 1.63 -0.49 -2.52 116.57 118.68 1qr6 h LYS 183 Ca -0.02 0.06 0.13 0.00 -0.85 0.00 0.00 60.65 59.97 1qr6 h LYS 183 Cb 1.25 0.21 -0.06 0.00 -0.60 0.00 0.00 32.23 33.03 1qr6 h LYS 183 CO 0.13 -0.61 0.53 -0.07 -3.45 0.00 0.00 179.45 175.98 1qr6 h LEU 184 N -0.94 0.55 -1.51 5.20 -0.00 -1.16 -0.26 115.31 117.19 1qr6 h LEU 184 Ca -0.05 0.03 0.12 0.00 -0.00 0.00 0.00 57.88 57.98 1qr6 h LEU 184 Cb 0.84 -0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 41.37 1qr6 h LEU 184 CO -0.11 0.30 0.48 0.00 -0.00 0.00 0.00 178.44 179.11 1qr6 h LEU 186 N 0.52 0.38 -0.80 0.00 3.38 -0.90 0.14 115.31 118.03 1qr6 h LEU 186 Ca 0.35 -0.37 0.15 0.00 0.09 0.00 0.00 57.88 58.09 1qr6 h LEU 186 Cb 0.64 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.17 1qr6 h LEU 186 CO -0.12 1.25 0.36 1.88 0.09 0.00 0.00 178.44 181.91 1qr6 h TYR 187 N 0.10 0.63 0.01 1.13 -1.99 -0.73 0.11 116.97 116.23 1qr6 h TYR 187 Ca -0.10 0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 1qr6 h TYR 187 Cb 1.81 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 40.39 1qr6 h TYR 187 CO 0.05 0.11 -0.00 1.15 -0.00 0.00 0.00 178.16 179.47 1qr6 h THR 188 N 0.52 1.57 -0.55 -2.88 2.02 -1.35 -2.48 112.91 109.77 1qr6 h THR 188 Ca 0.44 -1.92 0.03 0.00 0.77 0.00 0.00 66.41 65.73 1qr6 h THR 188 Cb 0.65 2.85 -0.04 0.00 -1.74 0.00 0.00 68.15 69.87 1qr6 h THR 188 CO -0.39 0.49 0.32 0.00 0.37 0.00 0.00 175.52 176.31 1qr6 h ALA 189 N 0.08 0.71 0.01 6.16 0.00 -0.36 -1.00 119.26 124.86 1qr6 h ALA 189 Ca -0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1qr6 h ALA 189 Cb 0.81 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1qr6 h ALA 189 CO 0.00 0.03 -1.56 0.00 0.00 0.00 0.00 179.25 177.72 1qr6 h ALA 191 N -0.49 0.65 0.00 0.00 0.00 -1.52 -3.40 119.26 114.49 1qr6 h ALA 191 Ca -0.42 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1qr6 h ALA 191 Cb 1.45 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1qr6 h ALA 191 CO -0.21 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1qr6 n GLY 192 N 1.31 0.78 3.67 0.00 0.00 -0.38 -4.82 105.19 105.76 1qr6 n GLY 192 Ca -0.04 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 1qr6 n GLY 192 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qr6 s ILE 193 N -2.00 4.50 -0.08 -0.61 1.01 -1.12 -0.64 121.20 122.25 1qr6 s ILE 193 Ca 0.00 1.80 -0.36 0.00 0.00 0.00 0.00 60.65 62.09 1qr6 s ILE 193 Cb 0.00 -4.16 -0.14 0.00 0.01 0.00 0.00 42.46 38.17 1qr6 s ILE 193 CO 0.00 -0.08 1.73 0.54 0.00 0.00 0.00 174.94 177.13 1qr6 n ARG 194 N 5.78 1.75 0.02 2.79 1.74 -1.26 -3.95 116.66 123.52 1qr6 n ARG 194 Ca 0.11 0.64 0.07 0.00 -0.77 0.00 0.00 57.85 57.90 1qr6 n ARG 194 Cb 0.46 -2.40 0.48 0.00 -1.02 0.00 0.00 32.46 29.99 1qr6 n ARG 194 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1qr6 h PRO 195 N 7.52 0.41 0.00 5.56 0.13 -1.96 -1.40 132.00 142.27 1qr6 h PRO 195 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1qr6 h PRO 195 Cb 1.29 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1qr6 h PRO 195 CO 0.92 0.27 0.00 -0.40 -0.23 0.00 0.00 178.00 178.56 1qr6 n ASP 196 N -4.48 0.00 -1.14 1.44 5.75 -1.26 -1.57 116.55 115.29 1qr6 n ASP 196 Ca 0.04 0.47 0.08 0.00 -0.01 0.00 0.00 54.79 55.38 1qr6 n ASP 196 Cb 0.16 -0.49 0.27 0.00 -1.03 0.00 0.00 41.12 40.04 1qr6 n ASP 196 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1qr6 n ARG 197 N -1.49 3.28 -4.39 0.11 1.74 -0.53 -4.74 116.66 110.64 1qr6 n ARG 197 Ca 0.04 -2.64 -0.35 0.00 -0.77 0.00 0.00 57.85 54.14 1qr6 n ARG 197 Cb 0.17 -1.70 -0.10 0.00 -1.02 0.00 0.00 32.46 29.82 1qr6 n ARG 197 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qr6 s LEU 199 N -0.95 1.23 -0.12 0.00 2.96 0.28 -4.98 118.68 117.11 1qr6 s LEU 199 Ca 0.14 -1.17 -0.30 0.00 -0.22 0.00 0.00 54.13 52.59 1qr6 s LEU 199 Cb -0.11 -0.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.99 1qr6 s LEU 199 CO 0.03 -0.38 1.07 -2.84 -1.32 0.00 0.00 176.35 172.91 1qr6 s PRO 200 N 1.88 4.37 0.04 0.98 0.02 -1.26 -2.24 135.00 138.80 1qr6 s PRO 200 Ca 0.05 1.47 0.07 0.00 0.02 0.00 0.00 61.00 62.61 1qr6 s PRO 200 Cb -0.17 -3.57 -0.02 0.00 0.02 0.00 0.00 34.50 30.76 1qr6 s PRO 200 CO -0.21 -0.41 -0.20 0.08 -0.33 0.00 0.00 177.00 175.92 1qr6 s VAL 201 N 2.32 1.64 -0.03 3.83 1.01 -0.22 -0.46 120.40 128.49 1qr6 s VAL 201 Ca 0.50 -1.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 1qr6 s VAL 201 Cb -0.19 -1.42 0.03 0.00 0.00 0.00 0.00 36.38 34.79 1qr6 s VAL 201 CO 0.17 0.20 0.05 0.00 0.00 0.00 0.00 175.10 175.51 1qr6 s ILE 203 N 1.77 5.23 -0.39 0.00 1.09 -0.50 -1.86 121.20 126.54 1qr6 s ILE 203 Ca -0.00 0.13 -0.10 0.00 -1.10 0.00 0.00 60.65 59.58 1qr6 s ILE 203 Cb -0.12 -3.43 0.04 0.00 -1.06 0.00 0.00 42.46 37.89 1qr6 s ILE 203 CO -0.03 0.35 0.22 -0.62 -0.10 0.00 0.00 174.94 174.76 1qr6 s ASP 204 N 1.05 5.69 -0.11 3.58 2.15 0.51 -4.37 116.67 125.17 1qr6 s ASP 204 Ca 0.07 -1.16 0.15 0.00 0.43 0.00 0.00 52.55 52.03 1qr6 s ASP 204 Cb -0.14 -2.01 0.29 0.00 -0.30 0.00 0.00 42.92 40.76 1qr6 s ASP 204 CO 0.04 -0.43 1.18 1.33 -0.17 0.00 0.00 175.17 177.12 1qr6 n VAL 205 N 4.97 1.76 0.00 1.11 0.24 -1.26 -0.13 118.33 125.02 1qr6 n VAL 205 Ca -0.11 -1.90 0.00 0.00 -2.04 0.00 0.00 64.34 60.28 1qr6 n VAL 205 Cb 0.45 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 1qr6 n VAL 205 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qr6 n GLY 206 N -0.99 1.90 2.95 7.63 0.00 -1.26 -0.34 105.19 115.09 1qr6 n GLY 206 Ca 0.14 -2.12 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 1qr6 n GLY 206 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qr6 s THR 207 N -1.84 0.13 -0.48 2.61 -1.32 0.19 -4.37 115.64 110.56 1qr6 s THR 207 Ca 0.00 -0.62 0.22 0.00 -1.21 0.00 0.00 61.69 60.08 1qr6 s THR 207 Cb 0.00 -0.22 -0.21 0.00 -1.51 0.00 0.00 72.50 70.56 1qr6 s THR 207 CO 0.00 -0.31 0.81 0.47 -2.21 0.00 0.00 174.62 173.38 1qr6 n ASP 208 N 2.09 0.51 -4.61 8.08 8.00 -1.26 -3.63 116.55 125.72 1qr6 n ASP 208 Ca -0.20 -0.30 -0.43 0.00 0.71 0.00 0.00 54.79 54.58 1qr6 n ASP 208 Cb 0.57 1.24 -0.03 0.00 -0.02 0.00 0.00 41.12 42.88 1qr6 n ASP 208 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1qr6 s ASN 209 N -3.99 5.82 0.44 -2.24 3.84 -1.26 -4.86 114.94 112.70 1qr6 s ASN 209 Ca 0.00 1.84 0.24 0.00 0.21 0.00 0.00 52.86 55.16 1qr6 s ASN 209 Cb 0.14 -2.52 0.91 0.00 -0.55 0.00 0.00 41.25 39.23 1qr6 s ASN 209 CO 0.85 -1.68 1.82 0.16 -2.79 0.00 0.00 177.10 175.47 1qr6 h ILE 210 N 6.71 0.53 -0.01 -5.21 3.07 -1.95 -0.68 117.51 119.97 1qr6 h ILE 210 Ca -0.40 -1.12 -0.07 0.00 1.55 0.00 0.00 64.86 64.82 1qr6 h ILE 210 Cb 1.21 1.78 -0.01 0.00 -0.27 0.00 0.00 36.82 39.53 1qr6 h ILE 210 CO 0.98 0.21 -0.33 0.00 -1.05 0.00 0.00 178.15 177.96 1qr6 h ALA 211 N 1.78 1.43 0.00 0.16 0.00 -1.99 -2.61 119.26 118.03 1qr6 h ALA 211 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1qr6 h ALA 211 Cb 0.76 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1qr6 h ALA 211 CO 0.03 0.43 -0.16 -0.07 0.00 0.00 0.00 179.25 179.48 1qr6 h LEU 212 N 0.02 0.00 -1.98 0.00 3.38 -1.76 -2.79 115.31 112.19 1qr6 h LEU 212 Ca 0.00 -0.59 0.26 0.00 0.09 0.00 0.00 57.88 57.64 1qr6 h LEU 212 Cb 0.60 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1qr6 h LEU 212 CO 0.04 0.88 0.67 -0.07 0.09 0.00 0.00 178.44 180.05 1qr6 h LEU 213 N -1.00 0.00 0.00 1.67 3.38 -1.13 0.14 115.31 118.36 1qr6 h LEU 213 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1qr6 h LEU 213 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1qr6 h LEU 213 CO -0.02 0.00 -1.25 0.29 0.09 0.00 0.00 178.44 177.55 1qr6 n LYS 214 N -4.18 0.57 -2.20 1.13 4.01 -0.99 -4.87 118.16 111.63 1qr6 n LYS 214 Ca 0.19 0.02 -0.42 0.00 -0.51 0.00 0.00 58.31 57.58 1qr6 n LYS 214 Cb 0.98 -1.71 -0.03 0.00 -0.51 0.00 0.00 35.03 33.76 1qr6 n LYS 214 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1qr6 s ASP 215 N -4.93 6.81 0.53 4.39 2.15 0.03 -4.89 116.67 120.76 1qr6 s ASP 215 Ca -0.02 2.05 0.31 0.00 0.43 0.00 0.00 52.55 55.32 1qr6 s ASP 215 Cb 0.11 -2.54 1.29 0.00 -0.30 0.00 0.00 42.92 41.48 1qr6 s ASP 215 CO 0.82 -0.81 1.96 1.55 -0.17 0.00 0.00 175.17 178.52 1qr6 h PRO 216 N 8.55 0.00 -0.66 4.34 0.13 -1.89 -2.88 132.00 139.59 1qr6 h PRO 216 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1qr6 h PRO 216 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1qr6 h PRO 216 CO 0.94 0.06 0.00 1.19 -0.23 0.00 0.00 178.00 179.96 1qr6 n PHE 217 N -3.19 1.47 0.00 1.56 3.72 -1.26 -5.14 117.46 114.61 1qr6 n PHE 217 Ca 0.00 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 56.82 1qr6 n PHE 217 Cb 0.33 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 1qr6 n PHE 217 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1qr6 n TYR 218 N 1.09 -0.63 0.00 1.38 -0.00 -1.09 -4.88 117.16 113.03 1qr6 n TYR 218 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.15 1qr6 n TYR 218 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.21 1qr6 n TYR 218 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1qr6 n GLY 220 N 1.42 0.24 3.71 2.98 0.00 -1.26 -5.06 105.19 107.22 1qr6 n GLY 220 Ca 0.00 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1qr6 n GLY 220 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qr6 s LEU 221 N 0.00 4.39 -1.25 0.99 1.02 -1.26 -4.95 118.68 117.62 1qr6 s LEU 221 Ca 0.00 1.82 -0.15 0.00 0.02 0.00 0.00 54.13 55.83 1qr6 s LEU 221 Cb 0.00 -3.58 0.14 0.00 0.02 0.00 0.00 46.19 42.77 1qr6 s LEU 221 CO 0.00 -0.31 1.57 -1.22 0.02 0.00 0.00 176.35 176.41 1qr6 n TYR 222 N 3.71 4.73 -3.46 0.29 4.02 -1.26 -4.34 117.16 120.85 1qr6 n TYR 222 Ca 0.06 -3.17 -0.13 0.00 -0.01 0.00 0.00 57.90 54.65 1qr6 n TYR 222 Cb 0.49 -2.31 -0.03 0.00 -0.02 0.00 0.00 39.34 37.46 1qr6 n TYR 222 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1qr6 s GLN 223 N 2.30 1.17 0.61 -0.72 -2.07 -1.26 -5.05 119.66 114.63 1qr6 s GLN 223 Ca 0.46 -0.25 -0.16 0.00 -1.82 0.00 0.00 55.36 53.59 1qr6 s GLN 223 Cb 0.00 0.54 -0.03 0.00 -1.09 0.00 0.00 33.01 32.44 1qr6 s GLN 223 CO 0.02 -0.47 1.09 0.15 -1.32 0.00 0.00 175.29 174.76 1qr6 s LYS 224 N -2.95 3.11 0.10 9.60 -0.14 -1.25 0.57 119.74 128.78 1qr6 s LYS 224 Ca -0.02 1.38 -0.34 0.00 -1.36 0.00 0.00 55.97 55.62 1qr6 s LYS 224 Cb -0.01 -1.99 -0.14 0.00 -1.68 0.00 0.00 37.83 34.01 1qr6 s LYS 224 CO -0.06 -1.00 1.60 0.54 -0.76 0.00 0.00 175.35 175.67 1qr6 n ARG 225 N -2.01 2.01 -2.55 1.68 1.74 -1.24 -4.36 116.66 111.93 1qr6 n ARG 225 Ca 0.10 0.73 -0.40 0.00 -0.77 0.00 0.00 57.85 57.51 1qr6 n ARG 225 Cb 0.52 -2.49 -0.05 0.00 -1.02 0.00 0.00 32.46 29.42 1qr6 n ARG 225 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1qr6 s ASP 226 N 1.45 7.33 -0.00 0.55 -1.08 0.54 -4.89 116.67 120.56 1qr6 s ASP 226 Ca 0.82 2.17 0.00 0.00 -0.52 0.00 0.00 52.55 55.03 1qr6 s ASP 226 Cb -0.72 -2.62 0.01 0.00 -1.46 0.00 0.00 42.92 38.12 1qr6 s ASP 226 CO 0.42 -0.09 0.77 0.54 0.52 0.00 0.00 175.17 177.33 1qr6 n ARG 227 N 1.17 0.08 -1.23 4.34 1.74 -1.26 -4.82 116.66 116.69 1qr6 n ARG 227 Ca -0.01 -0.81 -0.13 0.00 -0.77 0.00 0.00 57.85 56.13 1qr6 n ARG 227 Cb 0.46 -0.53 0.08 0.00 -1.02 0.00 0.00 32.46 31.45 1qr6 n ARG 227 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1qr6 n THR 228 N -0.04 0.00 -0.14 0.55 -2.24 -1.26 -4.89 114.28 106.27 1qr6 n THR 228 Ca 0.00 -0.62 0.13 0.00 -2.27 0.00 0.00 64.05 61.30 1qr6 n THR 228 Cb 0.60 -1.48 0.49 0.00 -2.10 0.00 0.00 70.33 67.83 1qr6 n THR 228 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1qr6 h GLN 229 N 0.00 0.44 -0.90 -0.78 5.75 -2.00 -1.19 115.11 116.42 1qr6 h GLN 229 Ca -0.19 -0.03 0.14 0.00 -0.15 0.00 0.00 58.65 58.42 1qr6 h GLN 229 Cb 0.59 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 28.97 1qr6 h GLN 229 CO 0.16 0.29 0.58 1.96 -2.65 0.00 0.00 178.83 179.17 1qr6 h GLN 230 N 0.45 0.70 0.34 1.69 4.20 -1.98 0.30 115.11 120.81 1qr6 h GLN 230 Ca 0.33 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.98 1qr6 h GLN 230 Cb 0.67 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1qr6 h GLN 230 CO -0.10 0.46 -0.16 -0.92 -0.67 0.00 0.00 178.83 177.43 1qr6 h TYR 231 N 0.72 -0.43 -0.69 2.96 3.20 -1.53 0.25 116.97 121.45 1qr6 h TYR 231 Ca 0.45 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.31 1qr6 h TYR 231 Cb 0.70 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 1qr6 h TYR 231 CO -0.00 -0.23 0.43 -0.44 -1.64 0.00 0.00 178.16 176.27 1qr6 h ASP 232 N -0.51 0.83 -0.85 -2.11 3.45 -1.32 -2.15 116.42 113.76 1qr6 h ASP 232 Ca -0.05 -0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.35 1qr6 h ASP 232 Cb 0.39 -0.21 -0.04 0.00 -0.56 0.00 0.00 39.33 38.91 1qr6 h ASP 232 CO 0.08 0.64 0.50 0.44 -1.57 0.00 0.00 179.24 179.33 1qr6 h ASP 233 N 0.95 1.04 0.09 6.45 3.32 -0.21 -2.42 116.42 125.63 1qr6 h ASP 233 Ca 0.25 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 1qr6 h ASP 233 Cb -0.04 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1qr6 h ASP 233 CO -0.05 0.81 -0.35 0.25 -1.72 0.00 0.00 179.24 178.18 1qr6 h LEU 234 N 1.19 0.38 -0.67 1.55 5.85 0.10 -1.22 115.31 122.48 1qr6 h LEU 234 Ca 0.31 -0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.75 1qr6 h LEU 234 Cb -0.03 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1qr6 h LEU 234 CO -0.06 0.70 -0.43 0.40 -0.34 0.00 0.00 178.44 178.72 1qr6 h ILE 235 N 0.31 1.30 0.04 4.05 1.08 -1.01 -0.77 117.51 122.51 1qr6 h ILE 235 Ca 0.04 -1.60 -0.00 0.00 -0.39 0.00 0.00 64.86 62.90 1qr6 h ILE 235 Cb 0.76 1.60 0.00 0.00 -3.07 0.00 0.00 36.82 36.11 1qr6 h ILE 235 CO 0.06 0.50 -0.02 0.44 -0.69 0.00 0.00 178.15 178.44 1qr6 h ASP 236 N 0.44 -0.04 -0.36 1.72 3.32 -1.24 -3.08 116.42 117.17 1qr6 h ASP 236 Ca 0.03 -0.29 0.07 0.00 0.02 0.00 0.00 57.03 56.87 1qr6 h ASP 236 Cb 0.93 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.42 1qr6 h ASP 236 CO 0.08 0.27 -0.09 -0.08 -1.72 0.00 0.00 179.24 177.69 1qr6 h GLU 237 N -0.36 -0.01 -1.09 3.56 4.81 -1.16 0.20 114.58 120.53 1qr6 h GLU 237 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qr6 h GLU 237 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1qr6 h GLU 237 CO 0.01 -0.00 0.00 0.34 -0.73 0.00 0.00 179.01 178.63 1qr6 n PHE 238 N -5.29 0.00 0.00 0.92 7.35 -0.30 0.38 117.46 120.52 1qr6 n PHE 238 Ca 0.01 -0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1qr6 n PHE 238 Cb 0.20 -0.06 0.00 0.00 0.35 0.00 0.00 39.48 39.97 1qr6 n PHE 238 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1qr6 n LYS 240 N 0.74 0.00 0.07 -4.13 2.85 0.68 -1.45 118.16 116.93 1qr6 n LYS 240 Ca 0.00 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.29 1qr6 n LYS 240 Cb 0.03 0.00 0.41 0.00 -0.65 0.00 0.00 35.03 34.81 1qr6 n LYS 240 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qr6 h ALA 241 N 0.00 1.59 0.00 0.58 0.00 -0.30 0.53 119.26 121.66 1qr6 h ALA 241 Ca 0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.54 1qr6 h ALA 241 Cb 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.69 1qr6 h ALA 241 CO 0.00 0.31 -0.96 0.82 0.00 0.00 0.00 179.25 179.42 1qr6 h ILE 242 N 0.37 1.31 0.00 0.00 1.08 -1.48 -3.05 117.51 115.74 1qr6 h ILE 242 Ca 0.09 -2.22 -0.14 0.00 -0.39 0.00 0.00 64.86 62.20 1qr6 h ILE 242 Cb 0.19 2.44 -0.02 0.00 -3.07 0.00 0.00 36.82 36.36 1qr6 h ILE 242 CO 0.00 0.68 -0.67 0.71 -0.69 0.00 0.00 178.15 178.18 1qr6 h THR 243 N 0.28 1.26 -0.13 -0.27 1.35 -1.68 -1.62 112.91 112.11 1qr6 h THR 243 Ca -0.12 -2.49 0.01 0.00 -0.55 0.00 0.00 66.41 63.27 1qr6 h THR 243 Cb 1.62 2.43 -0.02 0.00 -1.73 0.00 0.00 68.15 70.46 1qr6 h THR 243 CO 0.19 0.66 0.03 0.44 -0.25 0.00 0.00 175.52 176.58 1qr6 h ASP 244 N 0.00 0.02 0.16 5.36 3.32 -0.93 0.69 116.42 125.03 1qr6 h ASP 244 Ca -0.01 0.02 -0.23 0.00 0.02 0.00 0.00 57.03 56.83 1qr6 h ASP 244 Cb 1.38 0.02 0.03 0.00 0.22 0.00 0.00 39.33 40.98 1qr6 h ASP 244 CO 0.09 0.03 -0.99 -0.09 -1.72 0.00 0.00 179.24 176.56 1qr6 h ARG 245 N 0.08 0.39 0.00 3.56 2.43 -1.54 -3.39 114.38 115.91 1qr6 h ARG 245 Ca 0.06 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 1qr6 h ARG 245 Cb 0.05 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1qr6 h ARG 245 CO -0.07 1.29 -1.31 0.66 -1.51 0.00 0.00 179.97 179.03 1qr6 n TYR 246 N -4.01 0.00 0.00 2.20 4.02 -0.61 -5.05 117.16 113.71 1qr6 n TYR 246 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.75 1qr6 n TYR 246 Cb 0.89 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 40.02 1qr6 n TYR 246 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qr6 n GLY 247 N 1.43 3.57 0.13 2.72 0.00 0.24 -4.77 105.19 108.50 1qr6 n GLY 247 Ca 0.00 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.39 1qr6 n GLY 247 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1qr6 h ARG 248 N 0.00 0.00 -0.58 1.61 -0.00 -1.93 -3.02 114.38 110.46 1qr6 h ARG 248 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1qr6 h ARG 248 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1qr6 h ARG 248 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 179.97 180.24 1qr6 n ASN 249 N -2.33 3.42 -4.68 7.04 6.94 -1.26 -4.03 115.26 120.36 1qr6 n ASN 249 Ca 0.04 -1.98 -0.42 0.00 -0.02 0.00 0.00 54.58 52.20 1qr6 n ASN 249 Cb 0.37 -0.38 -0.03 0.00 -2.36 0.00 0.00 39.78 37.38 1qr6 n ASN 249 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1qr6 s THR 250 N -1.24 2.97 -0.20 5.53 2.01 -1.14 -4.83 115.64 118.74 1qr6 s THR 250 Ca 0.42 0.35 -0.29 0.00 0.31 0.00 0.00 61.69 62.48 1qr6 s THR 250 Cb 0.23 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 1qr6 s THR 250 CO 0.30 -0.01 1.64 -0.22 -0.69 0.00 0.00 174.62 175.64 1qr6 s LEU 251 N 3.02 3.94 -0.26 4.42 2.96 -1.08 -4.36 118.68 127.33 1qr6 s LEU 251 Ca 0.77 1.72 0.02 0.00 -0.22 0.00 0.00 54.13 56.42 1qr6 s LEU 251 Cb -0.41 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 42.80 1qr6 s LEU 251 CO 0.34 -1.23 -0.09 -0.63 -1.32 0.00 0.00 176.35 173.42 1qr6 s ILE 252 N 5.11 2.39 -0.19 6.68 1.01 -0.52 0.21 121.20 135.89 1qr6 s ILE 252 Ca 0.72 -1.50 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 1qr6 s ILE 252 Cb -0.26 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 1qr6 s ILE 252 CO 0.29 0.00 0.01 -1.58 0.00 0.00 0.00 174.94 173.67 1qr6 s GLN 253 N 1.16 3.72 0.31 2.79 0.74 0.12 -3.41 119.66 125.10 1qr6 s GLN 253 Ca -0.07 -0.47 -0.18 0.00 0.05 0.00 0.00 55.36 54.69 1qr6 s GLN 253 Cb -0.19 -3.09 -0.09 0.00 1.10 0.00 0.00 33.01 30.74 1qr6 s GLN 253 CO -0.05 0.12 0.78 -0.06 -0.55 0.00 0.00 175.29 175.54 1qr6 s PHE 254 N 0.72 3.46 -0.23 1.67 0.40 -0.96 0.09 117.98 123.13 1qr6 s PHE 254 Ca 0.01 1.36 -0.18 0.00 -0.60 0.00 0.00 56.93 57.51 1qr6 s PHE 254 Cb -0.14 -2.63 0.06 0.00 0.51 0.00 0.00 43.02 40.82 1qr6 s PHE 254 CO 0.02 0.13 0.59 -2.00 0.70 0.00 0.00 175.22 174.67 1qr6 s GLU 255 N -2.69 0.66 -1.32 0.44 2.56 0.27 -3.64 118.70 114.98 1qr6 s GLU 255 Ca 0.52 0.91 -0.02 0.00 0.00 0.00 0.00 54.97 56.39 1qr6 s GLU 255 Cb -0.12 0.24 -0.00 0.00 2.00 0.00 0.00 34.13 36.25 1qr6 s GLU 255 CO 0.18 -0.11 0.61 -0.25 -0.56 0.00 0.00 175.26 175.14 1qr6 n ASP 256 N 3.33 -1.24 -0.02 -1.70 8.00 -1.26 -4.19 116.55 119.47 1qr6 n ASP 256 Ca -0.17 -0.89 -0.06 0.00 0.71 0.00 0.00 54.79 54.38 1qr6 n ASP 256 Cb 0.56 -3.70 -0.13 0.00 -0.02 0.00 0.00 41.12 37.84 1qr6 n ASP 256 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1qr6 n PHE 257 N -4.29 0.81 0.00 1.24 3.01 -1.26 -2.45 117.46 114.53 1qr6 n PHE 257 Ca -0.29 0.29 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1qr6 n PHE 257 Cb 0.67 -1.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.04 1qr6 n PHE 257 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qr6 n GLY 258 N 1.53 1.42 0.00 1.37 0.00 -1.26 -4.54 105.19 103.71 1qr6 n GLY 258 Ca -0.17 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1qr6 n GLY 258 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qr6 n ASN 259 N 0.00 0.00 -0.15 1.61 4.13 -1.26 -1.04 115.26 118.55 1qr6 n ASN 259 Ca 0.00 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.23 1qr6 n ASN 259 Cb 0.00 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.30 1qr6 n ASN 259 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 1qr6 h HIS 260 N 0.00 0.02 -0.08 3.10 2.76 -2.00 -1.89 115.15 117.05 1qr6 h HIS 260 Ca 0.00 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.15 1qr6 h HIS 260 Cb 0.00 0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.03 1qr6 h HIS 260 CO 0.00 -0.08 -0.15 -0.91 -1.30 0.00 0.00 177.93 175.49 1qr6 h ASN 261 N 0.14 0.27 -1.01 3.26 -0.26 -1.39 -2.40 115.58 114.19 1qr6 h ASN 261 Ca 0.24 -0.56 0.16 0.00 -0.56 0.00 0.00 56.30 55.58 1qr6 h ASN 261 Cb 0.35 -0.08 -0.10 0.00 -1.06 0.00 0.00 38.32 37.44 1qr6 h ASN 261 CO -0.38 0.78 0.62 0.00 -1.06 0.00 0.00 177.43 177.39 1qr6 h ALA 262 N 0.49 1.61 0.10 -0.83 0.00 -1.20 0.43 119.26 119.87 1qr6 h ALA 262 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1qr6 h ALA 262 Cb 0.73 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1qr6 h ALA 262 CO 0.03 0.07 -0.05 0.74 0.00 0.00 0.00 179.25 180.04 1qr6 h PHE 263 N 0.86 -0.13 -0.89 0.00 -1.00 -1.38 -2.50 116.94 111.90 1qr6 h PHE 263 Ca 0.55 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 61.35 1qr6 h PHE 263 Cb 0.73 0.04 -0.05 0.00 3.61 0.00 0.00 35.95 40.28 1qr6 h PHE 263 CO -0.00 0.27 0.58 0.07 -1.61 0.00 0.00 178.31 177.61 1qr6 h ARG 264 N -0.96 1.11 -0.01 1.51 0.11 -1.23 0.18 114.38 115.08 1qr6 h ARG 264 Ca -0.01 -0.07 -0.11 0.00 0.10 0.00 0.00 59.98 59.89 1qr6 h ARG 264 Cb 0.45 -0.25 -0.02 0.00 1.11 0.00 0.00 29.97 31.27 1qr6 h ARG 264 CO 0.02 0.73 -0.53 0.74 0.10 0.00 0.00 179.97 181.04 1qr6 h PHE 265 N 1.14 0.04 -0.50 4.08 0.05 -0.27 0.14 116.94 121.63 1qr6 h PHE 265 Ca 0.35 -0.01 -0.07 0.00 3.82 0.00 0.00 57.97 62.05 1qr6 h PHE 265 Cb -0.03 -0.01 -0.02 0.00 2.00 0.00 0.00 35.95 37.89 1qr6 h PHE 265 CO -0.01 0.56 0.03 1.25 -0.18 0.00 0.00 178.31 179.95 1qr6 h LEU 266 N 0.03 0.84 -0.21 1.54 5.85 -0.65 -2.21 115.31 120.50 1qr6 h LEU 266 Ca -0.00 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.37 1qr6 h LEU 266 Cb 0.94 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1qr6 h LEU 266 CO 0.07 0.92 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.90 1qr6 h ARG 267 N 0.73 0.44 -0.34 1.25 2.43 -0.41 -2.04 114.38 116.43 1qr6 h ARG 267 Ca 0.14 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1qr6 h ARG 267 Cb 0.47 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1qr6 h ARG 267 CO 0.02 0.72 0.22 -0.22 -1.51 0.00 0.00 179.97 179.20 1qr6 h LYS 268 N 0.14 0.46 0.00 0.20 1.63 -0.57 -3.33 116.57 115.11 1qr6 h LYS 268 Ca 0.05 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1qr6 h LYS 268 Cb 0.59 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1qr6 h LYS 268 CO 0.03 0.31 -0.80 0.66 -3.45 0.00 0.00 179.45 176.20 1qr6 n TYR 269 N -4.48 0.00 -0.37 1.91 4.02 -0.84 -4.61 117.16 112.79 1qr6 n TYR 269 Ca 0.02 0.00 0.37 0.00 -0.01 0.00 0.00 57.90 58.28 1qr6 n TYR 269 Cb 0.07 -0.06 0.75 0.00 -0.02 0.00 0.00 39.34 40.08 1qr6 n TYR 269 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1qr6 h ARG 270 N 0.00 0.01 -0.01 -0.72 0.11 -1.47 0.57 114.38 112.87 1qr6 h ARG 270 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1qr6 h ARG 270 Cb 0.16 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 1qr6 h ARG 270 CO 0.00 0.01 -0.58 0.39 0.10 0.00 0.00 179.97 179.89 1qr6 n GLU 271 N -4.17 1.18 -0.10 0.08 -0.58 -1.26 -4.24 120.64 111.55 1qr6 n GLU 271 Ca 0.28 -0.63 -0.14 0.00 -0.42 0.00 0.00 57.16 56.24 1qr6 n GLU 271 Cb 1.33 -1.40 -0.14 0.00 -0.57 0.00 0.00 31.44 30.67 1qr6 n GLU 271 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1qr6 n LYS 272 N -0.51 0.67 -3.51 3.49 4.81 0.17 -5.04 118.16 118.25 1qr6 n LYS 272 Ca 0.07 0.11 -0.16 0.00 -0.87 0.00 0.00 58.31 57.46 1qr6 n LYS 272 Cb 0.38 -1.56 -0.04 0.00 0.02 0.00 0.00 35.03 33.83 1qr6 n LYS 272 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1qr6 n TYR 273 N -3.06 0.10 -3.33 5.64 4.02 0.70 -5.07 117.16 116.14 1qr6 n TYR 273 Ca -0.37 -1.64 -0.47 0.00 -0.01 0.00 0.00 57.90 55.41 1qr6 n TYR 273 Cb 1.07 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 40.36 1qr6 n TYR 273 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1qr6 s THR 275 N 0.28 0.15 0.22 0.00 -1.32 -1.26 -1.44 115.64 112.26 1qr6 s THR 275 Ca 0.17 -1.20 -0.18 0.00 -1.21 0.00 0.00 61.69 59.27 1qr6 s THR 275 Cb -0.12 -1.30 0.03 0.00 -1.51 0.00 0.00 72.50 69.60 1qr6 s THR 275 CO -0.08 -0.66 0.57 0.72 -2.21 0.00 0.00 174.62 172.96 1qr6 s PHE 276 N -3.69 -0.12 -0.31 9.09 -0.12 -1.22 -4.40 117.98 117.22 1qr6 s PHE 276 Ca 0.04 -0.24 0.03 0.00 -0.05 0.00 0.00 56.93 56.70 1qr6 s PHE 276 Cb 0.04 0.45 0.09 0.00 -0.63 0.00 0.00 43.02 42.97 1qr6 s PHE 276 CO -0.10 -0.99 0.02 1.21 -0.05 0.00 0.00 175.22 175.31 1qr6 s ASN 277 N -2.89 4.48 0.57 1.98 3.04 -1.26 -2.27 114.94 118.59 1qr6 s ASN 277 Ca 0.10 -1.82 0.27 0.00 0.04 0.00 0.00 52.86 51.45 1qr6 s ASN 277 Cb -0.02 -1.44 1.56 0.00 -1.54 0.00 0.00 41.25 39.81 1qr6 s ASN 277 CO -0.00 -0.33 2.07 -0.78 -3.04 0.00 0.00 177.10 175.01 1qr6 h ASP 278 N 7.75 0.00 -0.40 -4.21 3.58 -1.95 0.30 116.42 121.49 1qr6 h ASP 278 Ca -0.10 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.25 1qr6 h ASP 278 Cb 1.03 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.06 1qr6 h ASP 278 CO 0.49 0.00 -0.11 0.44 -2.88 0.00 0.00 179.24 177.18 1qr6 h ASP 279 N 0.00 0.85 0.00 2.28 3.32 -1.94 -2.23 116.42 118.70 1qr6 h ASP 279 Ca 0.12 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1qr6 h ASP 279 Cb 0.60 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1qr6 h ASP 279 CO -0.00 0.97 -0.40 0.40 -1.72 0.00 0.00 179.24 178.49 1qr6 h ILE 280 N 0.77 0.00 -0.14 0.35 2.04 -1.46 -3.38 117.51 115.69 1qr6 h ILE 280 Ca 0.13 -0.83 -0.22 0.00 1.00 0.00 0.00 64.86 64.94 1qr6 h ILE 280 Cb 0.61 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1qr6 h ILE 280 CO 0.04 0.00 -0.79 1.56 0.00 0.00 0.00 178.15 178.96 1qr6 h GLN 281 N -0.83 0.77 0.00 2.37 4.20 -0.63 -2.69 115.11 118.31 1qr6 h GLN 281 Ca 0.00 -0.64 -0.12 0.00 0.06 0.00 0.00 58.65 57.95 1qr6 h GLN 281 Cb 0.40 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1qr6 h GLN 281 CO 0.00 1.25 -0.56 0.78 -0.67 0.00 0.00 178.83 179.63 1qr6 h GLY 282 N 0.60 0.00 0.64 3.46 0.00 -1.49 -2.71 103.07 103.56 1qr6 h GLY 282 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1qr6 h GLY 282 CO 0.16 0.00 -0.03 -0.84 0.00 0.00 0.00 176.54 175.83 1qr6 h THR 283 N 0.00 1.18 -0.20 4.70 2.02 -1.52 -2.66 112.91 116.43 1qr6 h THR 283 Ca -0.01 -0.80 0.06 0.00 0.77 0.00 0.00 66.41 66.43 1qr6 h THR 283 Cb 1.02 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 1qr6 h THR 283 CO 0.07 0.20 0.17 0.00 0.37 0.00 0.00 175.52 176.33 1qr6 h ALA 284 N 0.48 2.02 0.21 6.16 0.00 -1.41 -2.13 119.26 124.59 1qr6 h ALA 284 Ca -0.01 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 1qr6 h ALA 284 Cb 0.39 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.21 1qr6 h ALA 284 CO 0.01 -0.27 -1.65 0.00 0.00 0.00 0.00 179.25 177.34 1qr6 h ALA 285 N 1.85 0.04 -0.31 0.00 0.00 -1.37 -2.38 119.26 117.09 1qr6 h ALA 285 Ca 0.09 -1.04 -0.12 0.00 0.00 0.00 0.00 54.91 53.84 1qr6 h ALA 285 Cb 0.43 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1qr6 h ALA 285 CO -0.00 0.90 -0.29 -0.39 0.00 0.00 0.00 179.25 179.47 1qr6 h VAL 286 N 0.12 1.29 0.00 0.00 -1.51 -1.28 0.77 116.25 115.64 1qr6 h VAL 286 Ca -0.31 -1.46 0.00 0.00 -1.23 0.00 0.00 66.70 63.70 1qr6 h VAL 286 Cb 2.13 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 32.82 1qr6 h VAL 286 CO 0.22 0.47 0.00 0.00 -1.23 0.00 0.00 177.57 177.03 1qr6 n ALA 287 N -2.50 -0.32 -0.33 5.19 0.00 -0.82 -1.62 120.51 120.10 1qr6 n ALA 287 Ca -0.03 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.67 1qr6 n ALA 287 Cb 0.48 0.08 0.52 0.00 0.00 0.00 0.00 19.45 20.52 1qr6 n ALA 287 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1qr6 h LEU 288 N 0.00 0.45 -2.03 0.00 5.85 -1.50 1.66 115.31 119.74 1qr6 h LEU 288 Ca 0.00 0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1qr6 h LEU 288 Cb 0.00 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1qr6 h LEU 288 CO 0.00 -0.24 -0.08 0.00 -0.34 0.00 0.00 178.44 177.78 1qr6 h ALA 289 N 1.89 1.21 -0.03 1.25 0.00 -0.44 -1.36 119.26 121.79 1qr6 h ALA 289 Ca 0.77 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.58 1qr6 h ALA 289 Cb 1.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1qr6 h ALA 289 CO -0.66 0.10 -0.09 0.78 0.00 0.00 0.00 179.25 179.39 1qr6 h GLY 290 N 0.86 0.11 0.37 0.00 0.00 0.34 -2.54 103.07 102.22 1qr6 h GLY 290 Ca -0.00 -0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.26 1qr6 h GLY 290 CO 0.01 0.14 0.08 1.41 0.00 0.00 0.00 176.54 178.17 1qr6 h LEU 291 N -0.48 -0.03 -1.46 3.11 3.38 -1.12 0.56 115.31 119.27 1qr6 h LEU 291 Ca -0.00 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1qr6 h LEU 291 Cb 0.72 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1qr6 h LEU 291 CO 0.02 0.01 0.44 -0.07 0.09 0.00 0.00 178.44 178.93 1qr6 h LEU 292 N 0.20 0.58 -0.38 1.67 3.38 -1.29 0.35 115.31 119.83 1qr6 h LEU 292 Ca 0.23 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 1qr6 h LEU 292 Cb 0.31 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1qr6 h LEU 292 CO -0.32 0.38 -0.11 0.00 0.09 0.00 0.00 178.44 178.47 1qr6 h ALA 293 N 1.64 0.52 -0.52 1.53 0.00 -0.53 -3.09 119.26 118.80 1qr6 h ALA 293 Ca 0.29 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1qr6 h ALA 293 Cb 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1qr6 h ALA 293 CO -0.09 0.40 0.30 0.00 0.00 0.00 0.00 179.25 179.86 1qr6 h ALA 294 N 0.82 0.67 0.00 0.00 0.00 0.96 -1.27 119.26 120.44 1qr6 h ALA 294 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1qr6 h ALA 294 Cb 0.63 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1qr6 h ALA 294 CO 0.04 -0.01 0.14 1.04 0.00 0.00 0.00 179.25 180.46 1qr6 n GLN 295 N -4.82 0.12 0.04 0.00 6.02 -0.38 0.14 117.38 118.51 1qr6 n GLN 295 Ca 0.04 0.61 0.10 0.00 -0.01 0.00 0.00 57.00 57.75 1qr6 n GLN 295 Cb 0.10 -2.03 0.42 0.00 1.02 0.00 0.00 30.24 29.74 1qr6 n GLN 295 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1qr6 n LYS 296 N -2.19 0.08 -0.03 -1.09 5.02 -0.48 -3.30 118.16 116.17 1qr6 n LYS 296 Ca -0.01 0.25 -0.08 0.00 -2.02 0.00 0.00 58.31 56.44 1qr6 n LYS 296 Cb 0.17 -1.62 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 1qr6 n LYS 296 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1qr6 n VAL 297 N -1.76 1.05 -3.07 -0.18 0.31 0.37 -4.85 118.33 110.20 1qr6 n VAL 297 Ca 0.04 0.09 -0.45 0.00 -0.01 0.00 0.00 64.34 64.01 1qr6 n VAL 297 Cb 0.24 -1.81 -0.01 0.00 -0.91 0.00 0.00 33.84 31.35 1qr6 n VAL 297 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1qr6 s ILE 298 N -2.32 5.16 -1.92 2.52 -1.09 -0.40 -4.90 121.20 118.25 1qr6 s ILE 298 Ca -0.15 -2.27 0.24 0.00 -2.23 0.00 0.00 60.65 56.25 1qr6 s ILE 298 Cb 0.04 -4.72 0.66 0.00 -1.58 0.00 0.00 42.46 36.85 1qr6 s ILE 298 CO 0.20 -1.39 1.82 -1.20 -1.23 0.00 0.00 174.94 173.14 1qr6 n SER 299 N 5.28 0.00 -4.60 3.58 7.64 -1.21 -4.37 113.62 119.94 1qr6 n SER 299 Ca 0.25 -0.66 -0.37 0.00 1.01 0.00 0.00 58.87 59.10 1qr6 n SER 299 Cb 0.46 -0.04 0.07 0.00 -1.01 0.00 0.00 64.21 63.68 1qr6 n SER 299 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1qr6 n LYS 300 N -1.04 0.68 -1.49 1.43 2.85 -1.26 -4.87 118.16 114.46 1qr6 n LYS 300 Ca 0.17 0.28 -0.43 0.00 -1.05 0.00 0.00 58.31 57.28 1qr6 n LYS 300 Cb 0.10 -2.16 -0.00 0.00 -0.65 0.00 0.00 35.03 32.31 1qr6 n LYS 300 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1qr6 n PRO 301 N -1.34 0.71 -0.28 -1.58 -0.02 -1.26 -4.86 135.00 126.37 1qr6 n PRO 301 Ca 0.13 0.25 0.07 0.00 -2.02 0.00 0.00 63.50 61.93 1qr6 n PRO 301 Cb 0.49 -1.53 0.29 0.00 -0.02 0.00 0.00 33.50 32.72 1qr6 n PRO 301 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1qr6 h ILE 302 N 1.16 0.99 0.00 4.25 5.03 -1.94 0.12 117.51 127.12 1qr6 h ILE 302 Ca -0.38 -0.31 0.00 0.00 -0.12 0.00 0.00 64.86 64.05 1qr6 h ILE 302 Cb 1.39 0.01 0.00 0.00 -3.03 0.00 0.00 36.82 35.19 1qr6 h ILE 302 CO 0.55 0.16 0.00 0.77 -0.68 0.00 0.00 178.15 178.95 1qr6 h SER 303 N 0.90 0.00 -0.09 1.72 4.64 -1.94 -0.58 113.55 118.20 1qr6 h SER 303 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1qr6 h SER 303 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1qr6 h SER 303 CO -0.16 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.18 1qr6 n GLU 304 N -2.97 1.52 -3.28 4.77 1.02 0.03 -4.88 120.64 116.84 1qr6 n GLU 304 Ca -0.02 -0.77 -0.35 0.00 -0.02 0.00 0.00 57.16 55.99 1qr6 n GLU 304 Cb 0.09 -1.40 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 1qr6 n GLU 304 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1qr6 s HIS 305 N -1.89 3.57 -0.08 -0.32 3.76 -0.23 -4.95 115.29 115.15 1qr6 s HIS 305 Ca 0.34 1.13 -0.03 0.00 -0.15 0.00 0.00 55.06 56.34 1qr6 s HIS 305 Cb 0.18 -2.43 0.05 0.00 1.11 0.00 0.00 32.58 31.48 1qr6 s HIS 305 CO 0.28 0.36 0.14 0.21 -0.85 0.00 0.00 174.74 174.87 1qr6 s LYS 306 N -2.17 0.02 -0.19 1.40 2.47 -1.26 -4.80 119.74 115.21 1qr6 s LYS 306 Ca 0.42 0.50 -0.01 0.00 -1.56 0.00 0.00 55.97 55.31 1qr6 s LYS 306 Cb -0.14 -0.39 0.00 0.00 -1.46 0.00 0.00 37.83 35.83 1qr6 s LYS 306 CO 0.20 -0.33 -0.12 0.42 0.16 0.00 0.00 175.35 175.68 1qr6 s ILE 307 N 2.27 2.81 -0.17 5.43 1.09 0.07 -1.14 121.20 131.56 1qr6 s ILE 307 Ca 0.04 -0.69 -0.05 0.00 -1.10 0.00 0.00 60.65 58.84 1qr6 s ILE 307 Cb -0.12 -2.23 -0.03 0.00 -1.06 0.00 0.00 42.46 39.01 1qr6 s ILE 307 CO -0.05 0.48 0.01 -0.22 -0.10 0.00 0.00 174.94 175.06 1qr6 s LEU 308 N 1.22 3.47 -0.21 2.97 2.96 0.55 -0.75 118.68 128.89 1qr6 s LEU 308 Ca 0.02 -0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 53.79 1qr6 s LEU 308 Cb -0.14 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1qr6 s LEU 308 CO -0.05 0.15 0.09 -0.36 -1.32 0.00 0.00 176.35 174.86 1qr6 s PHE 309 N 0.48 3.23 -0.75 5.38 0.08 0.06 -1.08 117.98 125.39 1qr6 s PHE 309 Ca -0.01 0.02 -0.20 0.00 0.12 0.00 0.00 56.93 56.86 1qr6 s PHE 309 Cb -0.14 -2.15 0.10 0.00 -0.57 0.00 0.00 43.02 40.26 1qr6 s PHE 309 CO 0.02 0.04 0.97 -1.17 -0.10 0.00 0.00 175.22 174.98 1qr6 s LEU 310 N 0.77 4.90 0.00 -0.37 2.96 0.75 -1.12 118.68 126.57 1qr6 s LEU 310 Ca 0.05 -1.52 0.00 0.00 -0.22 0.00 0.00 54.13 52.43 1qr6 s LEU 310 Cb -0.13 -2.38 0.00 0.00 0.50 0.00 0.00 46.19 44.18 1qr6 s LEU 310 CO 0.02 -1.21 0.00 0.61 -1.32 0.00 0.00 176.35 174.45 1qr6 n GLY 311 N 5.34 3.58 1.40 7.98 0.00 -0.55 -0.42 105.19 122.52 1qr6 n GLY 311 Ca 0.06 -1.78 0.03 0.00 0.00 0.00 0.00 46.02 44.33 1qr6 n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qr6 n ALA 312 N -1.23 2.40 -3.07 4.61 0.00 -1.26 -4.18 120.51 117.79 1qr6 n ALA 312 Ca 0.00 -2.16 -0.06 0.00 0.00 0.00 0.00 53.44 51.22 1qr6 n ALA 312 Cb 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 19.45 18.76 1qr6 n ALA 312 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qr6 n GLY 313 N 0.44 2.04 0.18 0.00 0.00 -1.26 -4.68 105.19 101.90 1qr6 n GLY 313 Ca 0.04 -2.16 0.02 0.00 0.00 0.00 0.00 46.02 43.92 1qr6 n GLY 313 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qr6 n GLU 314 N -1.25 -0.06 0.10 1.61 2.13 -1.26 0.15 120.64 122.05 1qr6 n GLU 314 Ca 0.03 0.76 -0.04 0.00 0.66 0.00 0.00 57.16 58.57 1qr6 n GLU 314 Cb 0.14 -1.13 0.11 0.00 0.27 0.00 0.00 31.44 30.84 1qr6 n GLU 314 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1qr6 h ALA 315 N 0.89 0.84 -0.22 4.31 0.00 -1.92 -1.50 119.26 121.65 1qr6 h ALA 315 Ca 0.22 -0.58 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 1qr6 h ALA 315 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1qr6 h ALA 315 CO -0.50 0.77 -0.51 0.00 0.00 0.00 0.00 179.25 179.01 1qr6 h ALA 316 N 1.22 0.36 0.00 0.00 0.00 0.10 -2.42 119.26 118.52 1qr6 h ALA 316 Ca -0.01 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1qr6 h ALA 316 Cb 1.16 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1qr6 h ALA 316 CO 0.10 0.55 -0.16 -0.07 0.00 0.00 0.00 179.25 179.67 1qr6 h LEU 317 N 0.47 0.00 0.05 0.00 3.38 -0.99 -1.84 115.31 116.37 1qr6 h LEU 317 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qr6 h LEU 317 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1qr6 h LEU 317 CO 0.11 0.16 -0.02 1.23 0.09 0.00 0.00 178.44 180.00 1qr6 h GLY 318 N 2.20 -0.07 1.55 0.83 0.00 -1.13 -2.95 103.07 103.50 1qr6 h GLY 318 Ca -0.00 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 1qr6 h GLY 318 CO 0.02 -0.03 0.02 -2.22 0.00 0.00 0.00 176.54 174.34 1qr6 h ILE 319 N -0.95 1.20 0.83 2.60 2.04 -1.49 -2.73 117.51 119.00 1qr6 h ILE 319 Ca -0.01 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 1qr6 h ILE 319 Cb 0.55 0.89 0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1qr6 h ILE 319 CO 0.01 0.27 -0.40 0.00 0.00 0.00 0.00 178.15 178.03 1qr6 h ALA 320 N 1.48 -1.12 -0.85 1.87 0.00 -1.45 -1.30 119.26 117.89 1qr6 h ALA 320 Ca 0.12 -0.25 0.16 0.00 0.00 0.00 0.00 54.91 54.94 1qr6 h ALA 320 Cb 0.31 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1qr6 h ALA 320 CO 0.01 -1.05 0.56 -0.91 0.00 0.00 0.00 179.25 177.85 1qr6 h ASN 321 N -1.28 0.53 1.08 0.00 2.35 -1.50 0.17 115.58 116.93 1qr6 h ASN 321 Ca -0.11 0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.56 1qr6 h ASN 321 Cb 0.86 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 1qr6 h ASN 321 CO 0.19 0.26 -0.55 0.25 -1.65 0.00 0.00 177.43 175.93 1qr6 h LEU 322 N 0.55 0.00 -0.09 1.61 5.85 -1.43 -3.08 115.31 118.73 1qr6 h LEU 322 Ca 0.43 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.12 1qr6 h LEU 322 Cb 0.85 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 1qr6 h LEU 322 CO -0.18 0.55 -0.06 0.40 -0.34 0.00 0.00 178.44 178.81 1qr6 h ILE 323 N 0.00 1.34 0.00 4.05 2.04 0.45 -2.53 117.51 122.86 1qr6 h ILE 323 Ca -0.01 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1qr6 h ILE 323 Cb 1.24 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 1qr6 h ILE 323 CO 0.07 0.32 0.00 0.52 0.00 0.00 0.00 178.15 179.06 1qr6 n VAL 324 N -4.71 0.00 -0.32 1.67 0.31 -0.02 -4.57 118.33 110.69 1qr6 n VAL 324 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1qr6 n VAL 324 Cb 0.29 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 1qr6 n VAL 324 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1qr6 n SER 326 N 0.31 -0.03 0.00 4.52 2.88 -0.96 -4.48 113.62 115.87 1qr6 n SER 326 Ca 0.00 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1qr6 n SER 326 Cb 0.00 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1qr6 n SER 326 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1qr6 n VAL 328 N -0.27 0.00 0.93 2.46 0.31 -1.26 -2.50 118.33 118.01 1qr6 n VAL 328 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 1qr6 n VAL 328 Cb 0.01 0.00 0.47 0.00 -0.91 0.00 0.00 33.84 33.41 1qr6 n VAL 328 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1qr6 n GLU 329 N 0.00 0.39 -0.36 5.55 0.28 -1.26 -2.43 120.64 122.80 1qr6 n GLU 329 Ca 0.00 0.06 0.09 0.00 -0.16 0.00 0.00 57.16 57.15 1qr6 n GLU 329 Cb 0.00 -1.50 0.23 0.00 1.43 0.00 0.00 31.44 31.60 1qr6 n GLU 329 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1qr6 n ASN 330 N -1.14 3.43 0.00 -1.84 4.13 -1.04 -4.95 115.26 113.85 1qr6 n ASN 330 Ca 0.10 -3.07 0.00 0.00 1.68 0.00 0.00 54.58 53.29 1qr6 n ASN 330 Cb 0.09 -0.52 0.00 0.00 -1.54 0.00 0.00 39.78 37.81 1qr6 n ASN 330 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qr6 n GLY 331 N -0.78 0.51 3.86 7.41 0.00 -1.02 -4.99 105.19 110.18 1qr6 n GLY 331 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1qr6 n GLY 331 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qr6 s LEU 332 N 0.00 4.32 1.11 0.99 1.02 -1.24 -5.02 118.68 119.86 1qr6 s LEU 332 Ca 0.00 0.85 -0.14 0.00 0.02 0.00 0.00 54.13 54.86 1qr6 s LEU 332 Cb 0.00 -3.14 0.24 0.00 0.02 0.00 0.00 46.19 43.32 1qr6 s LEU 332 CO 0.00 0.12 1.07 -0.55 0.02 0.00 0.00 176.35 177.01 1qr6 s SER 333 N -1.86 1.63 0.17 2.29 0.15 -1.26 -4.12 113.70 110.70 1qr6 s SER 333 Ca 0.36 1.11 0.10 0.00 0.70 0.00 0.00 55.95 58.22 1qr6 s SER 333 Cb -0.14 -1.71 -0.12 0.00 -1.71 0.00 0.00 66.02 62.34 1qr6 s SER 333 CO 0.19 -3.74 1.31 -0.08 1.20 0.00 0.00 173.24 172.12 1qr6 h GLU 334 N -2.31 0.00 -0.27 5.44 4.81 -1.94 -2.57 114.58 117.73 1qr6 h GLU 334 Ca -0.54 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.50 1qr6 h GLU 334 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1qr6 h GLU 334 CO 0.50 0.81 -0.56 1.96 -0.73 0.00 0.00 179.01 180.99 1qr6 h GLN 335 N 0.00 0.84 -0.07 1.92 4.20 -1.99 -2.34 115.11 117.66 1qr6 h GLN 335 Ca -0.02 -0.54 -0.03 0.00 0.06 0.00 0.00 58.65 58.13 1qr6 h GLN 335 Cb 1.65 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.49 1qr6 h GLN 335 CO 0.11 1.17 -0.05 0.93 -0.67 0.00 0.00 178.83 180.31 1qr6 h GLU 336 N 0.64 0.17 -0.41 1.46 5.08 -1.93 -1.70 114.58 117.88 1qr6 h GLU 336 Ca 0.01 -0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.37 1qr6 h GLU 336 Cb 1.17 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.32 1qr6 h GLU 336 CO 0.12 0.57 -0.30 0.00 -1.00 0.00 0.00 179.01 178.40 1qr6 h ALA 337 N 0.59 -0.11 -0.88 3.43 0.00 -1.48 0.12 119.26 120.93 1qr6 h ALA 337 Ca 0.01 0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1qr6 h ALA 337 Cb 0.53 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1qr6 h ALA 337 CO 0.01 -0.69 0.57 1.96 0.00 0.00 0.00 179.25 181.11 1qr6 h GLN 338 N -0.22 0.75 0.00 0.00 4.20 -1.29 -1.07 115.11 117.48 1qr6 h GLN 338 Ca 0.18 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1qr6 h GLN 338 Cb 0.52 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1qr6 h GLN 338 CO -0.54 0.50 0.00 1.63 -0.67 0.00 0.00 178.83 179.75 1qr6 n LYS 339 N -4.55 0.16 -0.00 1.46 5.02 0.38 -2.35 118.16 118.27 1qr6 n LYS 339 Ca 0.16 0.35 0.15 0.00 -2.02 0.00 0.00 58.31 56.95 1qr6 n LYS 339 Cb 0.39 -1.78 0.69 0.00 -0.02 0.00 0.00 35.03 34.31 1qr6 n LYS 339 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1qr6 n LYS 340 N -2.08 1.39 -4.85 1.97 5.02 -0.40 -4.83 118.16 114.38 1qr6 n LYS 340 Ca 0.03 -0.56 -0.31 0.00 -2.02 0.00 0.00 58.31 55.44 1qr6 n LYS 340 Cb 0.25 -1.48 -0.13 0.00 -0.02 0.00 0.00 35.03 33.64 1qr6 n LYS 340 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1qr6 s ILE 341 N -1.99 2.73 0.00 -0.18 1.01 -0.99 -0.75 121.20 121.03 1qr6 s ILE 341 Ca 0.41 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1qr6 s ILE 341 Cb 0.21 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.59 1qr6 s ILE 341 CO 0.34 0.46 0.00 0.79 0.00 0.00 0.00 174.94 176.53 1qr6 n TRP 342 N 1.93 0.00 -2.90 3.97 7.02 0.07 -4.93 117.44 122.60 1qr6 n TRP 342 Ca -0.16 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.35 1qr6 n TRP 342 Cb 0.52 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 1qr6 n TRP 342 CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 1qr6 s PHE 344 N -1.44 -0.10 0.00 -5.99 5.36 -0.27 -0.76 117.98 114.78 1qr6 s PHE 344 Ca 0.00 0.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.01 1qr6 s PHE 344 Cb 0.00 0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.70 1qr6 s PHE 344 CO 0.00 -0.07 0.00 -0.40 -1.46 0.00 0.00 175.22 173.29 1qr6 n ASP 345 N 4.24 0.00 0.15 6.13 5.68 -1.17 -1.48 116.55 130.09 1qr6 n ASP 345 Ca 0.07 -0.07 0.02 0.00 -0.50 0.00 0.00 54.79 54.31 1qr6 n ASP 345 Cb 0.62 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.96 1qr6 n ASP 345 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1qr6 h LYS 346 N 0.00 0.13 -0.05 0.11 2.10 -1.99 -2.66 116.57 114.20 1qr6 h LYS 346 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1qr6 h LYS 346 Cb 0.00 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 1qr6 h LYS 346 CO 0.00 0.40 0.00 0.66 -2.00 0.00 0.00 179.45 178.51 1qr6 n TYR 347 N -4.17 0.07 0.00 0.07 0.53 -1.26 -5.02 117.16 107.38 1qr6 n TYR 347 Ca -0.01 -0.03 0.00 0.00 -1.02 0.00 0.00 57.90 56.83 1qr6 n TYR 347 Cb 0.36 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.67 1qr6 n TYR 347 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1qr6 n GLY 348 N 0.74 0.35 3.54 2.72 0.00 -1.00 -4.97 105.19 106.57 1qr6 n GLY 348 Ca 0.09 -2.00 -0.52 0.00 0.00 0.00 0.00 46.02 43.58 1qr6 n GLY 348 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1qr6 n LEU 349 N -0.21 0.79 -4.57 0.99 7.94 -1.26 -3.06 117.00 117.62 1qr6 n LEU 349 Ca 0.00 1.14 -0.30 0.00 -1.11 0.00 0.00 56.01 55.74 1qr6 n LEU 349 Cb 0.00 -1.09 -0.05 0.00 0.53 0.00 0.00 43.42 42.81 1qr6 n LEU 349 CO 0.00 -1.61 1.47 -0.76 -1.11 0.00 0.00 177.39 175.37 1qr6 s LEU 350 N 0.69 3.22 0.20 -1.96 2.01 -1.26 -4.92 118.68 116.67 1qr6 s LEU 350 Ca 0.80 -1.25 0.04 0.00 0.01 0.00 0.00 54.13 53.73 1qr6 s LEU 350 Cb -1.01 -2.57 -0.03 0.00 0.01 0.00 0.00 46.19 42.59 1qr6 s LEU 350 CO 0.53 -2.58 0.31 -0.69 1.01 0.00 0.00 176.35 174.93 1qr6 s VAL 351 N 9.30 5.19 -0.48 -1.59 1.01 -1.26 -3.25 120.40 129.32 1qr6 s VAL 351 Ca 0.65 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 1qr6 s VAL 351 Cb -0.03 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1qr6 s VAL 351 CO 0.04 -0.23 1.49 -0.75 0.00 0.00 0.00 175.10 175.64 1qr6 s LYS 352 N -3.65 3.37 0.00 2.72 2.20 0.27 -3.04 119.74 121.61 1qr6 s LYS 352 Ca 0.34 0.77 0.00 0.00 -0.36 0.00 0.00 55.97 56.72 1qr6 s LYS 352 Cb -0.10 -4.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.11 1qr6 s LYS 352 CO 0.28 -1.84 0.00 0.41 -0.36 0.00 0.00 175.35 173.85 1qr6 n GLY 353 N 5.24 1.78 3.25 5.54 0.00 -1.26 -4.61 105.19 115.12 1qr6 n GLY 353 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1qr6 n GLY 353 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qr6 n ARG 354 N -1.03 0.00 -0.05 1.61 1.74 -1.17 -4.86 116.66 112.90 1qr6 n ARG 354 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1qr6 n ARG 354 Cb 0.00 -0.99 -0.05 0.00 -1.02 0.00 0.00 32.46 30.40 1qr6 n ARG 354 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1qr6 h LYS 355 N 0.26 0.27 -6.16 5.56 1.79 -1.98 -3.41 116.57 112.90 1qr6 h LYS 355 Ca -0.37 -0.06 -0.64 0.00 -2.18 0.00 0.00 60.65 57.40 1qr6 h LYS 355 Cb 1.43 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 32.05 1qr6 h LYS 355 CO 0.45 0.39 1.19 0.00 -1.08 0.00 0.00 179.45 180.41 1qr6 n ALA 356 N -2.26 0.87 -1.51 3.86 0.00 -1.26 -4.85 120.51 115.36 1qr6 n ALA 356 Ca -0.04 0.16 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 1qr6 n ALA 356 Cb 0.15 -2.52 0.02 0.00 0.00 0.00 0.00 19.45 17.10 1qr6 n ALA 356 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qr6 n LYS 357 N 7.07 0.78 -4.72 0.00 5.02 -1.26 -5.01 118.16 120.04 1qr6 n LYS 357 Ca 0.28 0.29 -0.24 0.00 -2.02 0.00 0.00 58.31 56.62 1qr6 n LYS 357 Cb 0.27 -1.73 -0.16 0.00 -0.02 0.00 0.00 35.03 33.40 1qr6 n LYS 357 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1qr6 s ILE 358 N -1.47 1.24 0.48 -0.18 1.09 -1.26 -5.13 121.20 115.97 1qr6 s ILE 358 Ca 0.65 -0.64 0.03 0.00 -1.10 0.00 0.00 60.65 59.59 1qr6 s ILE 358 Cb -0.55 -1.06 0.02 0.00 -1.06 0.00 0.00 42.46 39.81 1qr6 s ILE 358 CO 0.56 0.36 0.68 1.51 -0.10 0.00 0.00 174.94 177.95 1qr6 s ASP 359 N -0.12 5.54 0.54 3.58 3.84 -1.26 -4.87 116.67 123.92 1qr6 s ASP 359 Ca 0.01 -0.05 0.31 0.00 -0.00 0.00 0.00 52.55 52.82 1qr6 s ASP 359 Cb -0.09 -1.01 1.48 0.00 -1.38 0.00 0.00 42.92 41.93 1qr6 s ASP 359 CO 0.01 -0.90 1.90 0.77 -0.00 0.00 0.00 175.17 176.94 1qr6 h SER 360 N 0.33 0.00 1.25 2.11 4.64 -2.01 0.14 113.55 120.01 1qr6 h SER 360 Ca -0.43 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1qr6 h SER 360 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1qr6 h SER 360 CO 0.52 0.00 -0.75 1.88 -0.87 0.00 0.00 176.83 177.61 1qr6 h TYR 361 N 0.00 0.00 0.05 4.77 -1.99 -2.01 -3.35 116.97 114.45 1qr6 h TYR 361 Ca 0.40 0.00 -0.33 0.00 2.00 0.00 0.00 58.73 60.80 1qr6 h TYR 361 Cb 1.64 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 40.33 1qr6 h TYR 361 CO 0.00 0.02 -1.91 1.04 -0.00 0.00 0.00 178.16 177.31 1qr6 n GLN 362 N -2.80 0.69 -0.27 4.88 6.02 -0.01 -4.39 117.38 121.50 1qr6 n GLN 362 Ca 0.01 0.26 -0.02 0.00 -0.01 0.00 0.00 57.00 57.23 1qr6 n GLN 362 Cb 0.55 -1.73 0.01 0.00 1.02 0.00 0.00 30.24 30.09 1qr6 n GLN 362 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1qr6 n GLU 363 N -3.23 -0.20 0.00 -1.09 2.13 0.27 0.21 120.64 118.73 1qr6 n GLU 363 Ca -0.26 1.07 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1qr6 n GLU 363 Cb 1.05 -1.58 0.00 0.00 0.27 0.00 0.00 31.44 31.18 1qr6 n GLU 363 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1qr6 n PRO 364 N -4.99 0.00 -0.05 5.31 -0.04 -1.26 -0.33 135.00 133.64 1qr6 n PRO 364 Ca 0.06 0.39 0.03 0.00 -0.04 0.00 0.00 63.50 63.93 1qr6 n PRO 364 Cb 0.26 -1.54 0.04 0.00 -0.04 0.00 0.00 33.50 32.21 1qr6 n PRO 364 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1qr6 n PHE 365 N -1.38 0.00 -3.42 0.54 3.01 0.55 -4.74 117.46 112.02 1qr6 n PHE 365 Ca 0.00 -0.54 -0.44 0.00 1.01 0.00 0.00 57.45 57.48 1qr6 n PHE 365 Cb 0.04 -0.07 -0.04 0.00 -0.01 0.00 0.00 39.48 39.40 1qr6 n PHE 365 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1qr6 s THR 366 N -1.30 5.18 0.71 4.37 2.01 0.55 -4.77 115.64 122.39 1qr6 s THR 366 Ca 0.08 -2.65 -0.07 0.00 0.31 0.00 0.00 61.69 59.36 1qr6 s THR 366 Cb 0.07 -4.22 0.06 0.00 0.01 0.00 0.00 72.50 68.42 1qr6 s THR 366 CO 0.01 -1.00 1.02 -1.00 -0.69 0.00 0.00 174.62 172.95 1qr6 s HIS 367 N 0.02 2.87 0.37 4.92 3.76 -1.20 -4.28 115.29 121.75 1qr6 s HIS 367 Ca 0.18 0.43 -0.28 0.00 -0.15 0.00 0.00 55.06 55.24 1qr6 s HIS 367 Cb -0.12 -3.21 -0.10 0.00 1.11 0.00 0.00 32.58 30.26 1qr6 s HIS 367 CO -0.08 -1.43 1.35 -1.12 -0.85 0.00 0.00 174.74 172.61 1qr6 s SER 368 N -4.53 6.50 0.17 1.40 0.01 -1.26 0.96 113.70 116.95 1qr6 s SER 368 Ca 0.60 2.76 -0.32 0.00 1.31 0.00 0.00 55.95 60.31 1qr6 s SER 368 Cb -0.11 -2.65 -0.11 0.00 0.21 0.00 0.00 66.02 63.36 1qr6 s SER 368 CO 0.45 -0.73 1.77 0.00 0.41 0.00 0.00 173.24 175.14 1qr6 n ALA 369 N 0.47 2.57 -0.70 1.44 0.00 -1.26 -4.75 120.51 118.29 1qr6 n ALA 369 Ca 0.02 0.36 -0.30 0.00 0.00 0.00 0.00 53.44 53.52 1qr6 n ALA 369 Cb 0.42 -2.55 0.26 0.00 0.00 0.00 0.00 19.45 17.58 1qr6 n ALA 369 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1qr6 s PRO 370 N 1.83 -1.94 0.19 0.00 0.04 -1.26 -4.90 135.00 128.95 1qr6 s PRO 370 Ca 0.78 0.15 -0.08 0.00 0.04 0.00 0.00 61.00 61.89 1qr6 s PRO 370 Cb -0.49 -1.49 0.10 0.00 0.04 0.00 0.00 34.50 32.65 1qr6 s PRO 370 CO 0.34 -4.23 1.66 0.93 0.04 0.00 0.00 177.00 175.74 1qr6 h GLU 371 N -2.96 1.06 -4.25 4.56 3.07 -1.97 -3.37 114.58 110.73 1qr6 h GLU 371 Ca -0.47 -0.33 -0.71 0.00 -0.50 0.00 0.00 59.36 57.35 1qr6 h GLU 371 Cb 1.32 -0.10 -0.32 0.00 -0.84 0.00 0.00 28.75 28.81 1qr6 h GLU 371 CO 0.34 1.02 -0.42 -1.12 -1.40 0.00 0.00 179.01 177.43 1qr6 s SER 372 N -6.58 5.53 -0.52 1.42 0.01 -1.26 -5.06 113.70 107.24 1qr6 s SER 372 Ca -0.11 -2.11 -0.27 0.00 1.31 0.00 0.00 55.95 54.77 1qr6 s SER 372 Cb 0.14 -1.94 0.03 0.00 0.21 0.00 0.00 66.02 64.47 1qr6 s SER 372 CO 0.85 -0.60 1.06 -0.63 0.41 0.00 0.00 173.24 174.33 1qr6 s ILE 373 N 1.05 4.26 0.57 1.44 1.09 -1.26 -4.82 121.20 123.53 1qr6 s ILE 373 Ca 0.09 0.78 -0.20 0.00 -1.10 0.00 0.00 60.65 60.22 1qr6 s ILE 373 Cb -0.24 -4.59 -0.04 0.00 -1.06 0.00 0.00 42.46 36.54 1qr6 s ILE 373 CO -0.03 -1.10 1.25 -2.16 -0.10 0.00 0.00 174.94 172.80 1qr6 s PRO 374 N 4.32 3.04 0.00 2.79 0.04 -1.26 -4.90 135.00 139.03 1qr6 s PRO 374 Ca 0.39 1.94 0.11 0.00 0.04 0.00 0.00 61.00 63.48 1qr6 s PRO 374 Cb -0.09 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.46 1qr6 s PRO 374 CO 0.26 -1.18 0.76 -0.40 0.04 0.00 0.00 177.00 176.48 1qr6 n ASP 375 N -1.38 1.64 -4.08 6.66 3.85 -1.26 -4.60 116.55 117.38 1qr6 n ASP 375 Ca 0.13 -1.32 -0.10 0.00 -0.71 0.00 0.00 54.79 52.79 1qr6 n ASP 375 Cb 0.48 0.18 -0.11 0.00 -1.35 0.00 0.00 41.12 40.33 1qr6 n ASP 375 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1qr6 s THR 376 N -1.07 0.41 0.30 2.12 -1.32 -1.26 -4.99 115.64 109.82 1qr6 s THR 376 Ca 0.11 -1.45 0.20 0.00 -1.21 0.00 0.00 61.69 59.34 1qr6 s THR 376 Cb 0.09 -1.05 0.18 0.00 -1.51 0.00 0.00 72.50 70.21 1qr6 s THR 376 CO 0.18 -0.69 1.88 0.15 -2.21 0.00 0.00 174.62 173.93 1qr6 h PHE 377 N 3.78 0.00 -0.29 9.09 3.57 -1.93 0.15 116.94 131.31 1qr6 h PHE 377 Ca -0.34 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.04 1qr6 h PHE 377 Cb 1.18 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.91 1qr6 h PHE 377 CO 0.61 0.27 -0.29 1.49 -2.23 0.00 0.00 178.31 178.16 1qr6 h GLU 378 N 0.00 0.71 -0.17 1.11 4.81 -1.96 0.17 114.58 119.25 1qr6 h GLU 378 Ca -0.00 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1qr6 h GLU 378 Cb 0.63 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1qr6 h GLU 378 CO 0.04 0.99 0.07 -0.44 -0.73 0.00 0.00 179.01 178.93 1qr6 h ASP 379 N 0.45 0.23 -0.07 1.04 5.19 -1.82 -1.87 116.42 119.58 1qr6 h ASP 379 Ca 0.05 -0.17 0.04 0.00 -0.62 0.00 0.00 57.03 56.33 1qr6 h ASP 379 Cb 0.86 -0.06 -0.05 0.00 0.18 0.00 0.00 39.33 40.26 1qr6 h ASP 379 CO 0.07 0.34 -0.24 0.00 -3.12 0.00 0.00 179.24 176.29 1qr6 h ALA 380 N 0.91 -0.27 -0.97 3.45 0.00 -0.57 0.80 119.26 122.59 1qr6 h ALA 380 Ca 0.06 0.02 0.27 0.00 0.00 0.00 0.00 54.91 55.26 1qr6 h ALA 380 Cb 0.18 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1qr6 h ALA 380 CO -0.00 -0.72 0.69 0.28 0.00 0.00 0.00 179.25 179.49 1qr6 h VAL 381 N -0.34 0.53 0.00 0.00 2.07 -0.46 0.16 116.25 118.20 1qr6 h VAL 381 Ca 0.08 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1qr6 h VAL 381 Cb 0.46 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1qr6 h VAL 381 CO -0.26 0.02 -0.14 0.78 0.02 0.00 0.00 177.57 177.98 1qr6 h ASN 382 N 0.09 0.00 -0.06 0.57 2.35 0.21 0.13 115.58 118.87 1qr6 h ASN 382 Ca 0.48 -0.51 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1qr6 h ASN 382 Cb 1.74 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.11 1qr6 h ASN 382 CO -0.06 0.83 0.04 0.40 -1.65 0.00 0.00 177.43 177.00 1qr6 h ILE 383 N -1.00 0.98 0.00 2.81 5.03 0.13 -3.04 117.51 122.43 1qr6 h ILE 383 Ca -0.03 -0.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.70 1qr6 h ILE 383 Cb 0.61 0.96 0.00 0.00 -3.03 0.00 0.00 36.82 35.36 1qr6 h ILE 383 CO -0.02 0.00 -1.50 0.18 -0.68 0.00 0.00 178.15 176.14 1qr6 n LEU 384 N -4.52 0.00 -3.94 1.44 7.99 0.46 -5.01 117.00 113.42 1qr6 n LEU 384 Ca -0.02 -0.00 -0.35 0.00 -0.01 0.00 0.00 56.01 55.63 1qr6 n LEU 384 Cb 0.13 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.45 1qr6 n LEU 384 CO 0.34 0.00 -0.19 0.29 -1.51 0.00 0.00 177.39 176.33 1qr6 n LYS 385 N -1.88 -1.39 -1.68 3.23 5.02 0.45 -4.89 118.16 117.02 1qr6 n LYS 385 Ca -0.02 0.29 -0.33 0.00 -2.02 0.00 0.00 58.31 56.22 1qr6 n LYS 385 Cb 0.29 -3.68 0.06 0.00 -0.02 0.00 0.00 35.03 31.68 1qr6 n LYS 385 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qr6 s PRO 386 N -6.72 2.62 0.00 1.97 0.04 -1.25 -4.91 135.00 126.74 1qr6 s PRO 386 Ca 0.31 1.50 0.24 0.00 0.04 0.00 0.00 61.00 63.09 1qr6 s PRO 386 Cb -0.14 -1.92 0.28 0.00 0.04 0.00 0.00 34.50 32.76 1qr6 s PRO 386 CO 0.92 -1.41 1.25 -1.13 0.04 0.00 0.00 177.00 176.67 1qr6 n SER 387 N -2.47 0.92 -3.79 6.66 3.41 -0.29 -4.87 113.62 113.18 1qr6 n SER 387 Ca 0.11 -0.73 -0.13 0.00 -0.26 0.00 0.00 58.87 57.86 1qr6 n SER 387 Cb 0.51 0.48 -0.14 0.00 -0.26 0.00 0.00 64.21 64.80 1qr6 n SER 387 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1qr6 s THR 388 N -2.85 -0.03 -0.05 6.66 2.01 -0.86 -2.83 115.64 117.69 1qr6 s THR 388 Ca 0.13 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.26 1qr6 s THR 388 Cb 0.17 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.49 1qr6 s THR 388 CO 0.70 0.04 -0.13 -0.51 -0.69 0.00 0.00 174.62 174.04 1qr6 s ILE 389 N 0.68 1.14 -0.18 1.82 1.10 0.28 -0.33 121.20 125.70 1qr6 s ILE 389 Ca -0.05 -0.51 0.01 0.00 -0.51 0.00 0.00 60.65 59.59 1qr6 s ILE 389 Cb -0.07 -1.02 0.03 0.00 0.15 0.00 0.00 42.46 41.55 1qr6 s ILE 389 CO -0.03 0.35 -0.16 -0.63 -2.11 0.00 0.00 174.94 172.36 1qr6 s ILE 390 N 0.45 1.84 -0.49 2.00 1.01 -0.24 -0.53 121.20 125.24 1qr6 s ILE 390 Ca -0.10 -0.89 -0.24 0.00 0.00 0.00 0.00 60.65 59.42 1qr6 s ILE 390 Cb -0.14 -1.73 0.03 0.00 0.01 0.00 0.00 42.46 40.63 1qr6 s ILE 390 CO 0.03 0.42 0.86 -0.83 0.00 0.00 0.00 174.94 175.42 1qr6 s GLY 391 N 1.36 1.52 -0.37 6.18 0.00 1.19 -0.18 107.32 117.03 1qr6 s GLY 391 Ca 0.03 -1.07 0.13 0.00 0.00 0.00 0.00 44.72 43.81 1qr6 s GLY 391 CO -0.11 1.91 0.90 -0.62 0.00 0.00 0.00 173.10 175.17 1qr6 n VAL 392 N 6.20 0.21 0.05 1.40 0.31 0.44 -0.40 118.33 126.55 1qr6 n VAL 392 Ca 0.03 -3.49 0.02 0.00 -0.01 0.00 0.00 64.34 60.89 1qr6 n VAL 392 Cb 0.48 0.34 -0.03 0.00 -0.91 0.00 0.00 33.84 33.72 1qr6 n VAL 392 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qr6 n ALA 393 N 0.12 2.27 -3.33 3.52 0.00 -0.89 -4.26 120.51 117.94 1qr6 n ALA 393 Ca 0.16 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 1qr6 n ALA 393 Cb 0.73 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1qr6 n ALA 393 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qr6 n GLY 394 N 1.94 -1.22 1.65 0.00 0.00 -1.26 -4.95 105.19 101.35 1qr6 n GLY 394 Ca -0.00 0.59 -0.05 0.00 0.00 0.00 0.00 46.02 46.55 1qr6 n GLY 394 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qr6 n ALA 395 N -1.95 3.43 -0.06 4.61 0.00 -1.22 -5.04 120.51 120.29 1qr6 n ALA 395 Ca -0.11 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1qr6 n ALA 395 Cb 0.57 -0.52 -0.00 0.00 0.00 0.00 0.00 19.45 19.50 1qr6 n ALA 395 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qr6 n GLY 396 N -0.61 -2.13 3.57 0.00 0.00 -0.62 -4.67 105.19 100.74 1qr6 n GLY 396 Ca -0.24 -1.45 -0.19 0.00 0.00 0.00 0.00 46.02 44.14 1qr6 n GLY 396 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qr6 s ARG 397 N -0.39 1.85 0.00 1.61 1.81 -0.80 -3.66 118.95 119.37 1qr6 s ARG 397 Ca 0.00 -0.14 0.24 0.00 -1.72 0.00 0.00 55.73 54.11 1qr6 s ARG 397 Cb 0.00 -4.96 0.25 0.00 -0.45 0.00 0.00 34.95 29.79 1qr6 s ARG 397 CO 0.00 -4.38 1.26 1.28 -0.68 0.00 0.00 175.30 172.78 1qr6 n LEU 398 N 17.21 2.16 -3.81 2.53 4.77 -0.97 -4.32 117.00 134.56 1qr6 n LEU 398 Ca 0.44 -0.75 -0.42 0.00 -0.03 0.00 0.00 56.01 55.25 1qr6 n LEU 398 Cb 0.45 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.54 1qr6 n LEU 398 CO 0.59 0.38 1.55 0.49 -1.33 0.00 0.00 177.39 179.07 1qr6 n PHE 399 N 0.34 2.54 -1.45 -1.77 0.99 -0.25 -4.96 117.46 112.91 1qr6 n PHE 399 Ca 0.12 -2.64 -0.38 0.00 -0.00 0.00 0.00 57.45 54.55 1qr6 n PHE 399 Cb 0.48 -1.46 0.03 0.00 -1.00 0.00 0.00 39.48 37.54 1qr6 n PHE 399 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1qr6 n THR 400 N 1.42 2.08 0.32 4.37 -2.24 -1.26 -4.50 114.28 114.48 1qr6 n THR 400 Ca 0.39 -0.50 0.15 0.00 -2.27 0.00 0.00 64.05 61.82 1qr6 n THR 400 Cb 0.31 -0.63 0.78 0.00 -2.10 0.00 0.00 70.33 68.69 1qr6 n THR 400 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1qr6 h PRO 401 N 0.24 0.00 0.08 -0.78 0.11 -1.95 0.12 132.00 129.82 1qr6 h PRO 401 Ca -0.45 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 1qr6 h PRO 401 Cb 1.40 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.52 1qr6 h PRO 401 CO 0.47 0.00 -0.75 -0.44 -0.21 0.00 0.00 178.00 177.07 1qr6 h ASP 402 N 0.00 0.28 -0.54 -2.05 5.19 -1.99 -2.73 116.42 114.58 1qr6 h ASP 402 Ca 0.00 -0.91 0.03 0.00 -0.62 0.00 0.00 57.03 55.53 1qr6 h ASP 402 Cb 0.66 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.04 1qr6 h ASP 402 CO 0.00 1.34 0.32 0.58 -3.12 0.00 0.00 179.24 178.36 1qr6 h VAL 403 N -0.59 1.05 0.22 -1.35 2.07 -1.18 0.44 116.25 116.91 1qr6 h VAL 403 Ca -0.15 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1qr6 h VAL 403 Cb 1.46 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1qr6 h VAL 403 CO 0.06 0.12 -0.43 0.40 0.02 0.00 0.00 177.57 177.74 1qr6 h ILE 404 N 0.63 0.00 -0.91 4.57 2.04 -1.03 -2.39 117.51 120.43 1qr6 h ILE 404 Ca 0.22 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.16 1qr6 h ILE 404 Cb 0.03 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.05 1qr6 h ILE 404 CO -0.10 0.00 0.59 0.08 0.00 0.00 0.00 178.15 178.72 1qr6 h ARG 405 N -0.70 0.95 0.00 2.37 0.11 -1.14 -2.05 114.38 113.93 1qr6 h ARG 405 Ca -0.02 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.00 1qr6 h ARG 405 Cb 0.66 -0.22 0.00 0.00 1.11 0.00 0.00 29.97 31.52 1qr6 h ARG 405 CO -0.16 0.63 0.00 0.00 0.10 0.00 0.00 179.97 180.54 1qr6 n ALA 406 N -2.40 0.64 0.00 0.08 0.00 0.15 -1.25 120.51 117.73 1qr6 n ALA 406 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1qr6 n ALA 406 Cb 0.25 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1qr6 n ALA 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qr6 n ALA 408 N 0.24 0.00 0.02 0.00 0.00 -0.77 -1.60 120.51 118.40 1qr6 n ALA 408 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1qr6 n ALA 408 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1qr6 n ALA 408 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1qr6 n SER 409 N 0.00 0.52 0.04 0.00 3.41 -0.38 -4.14 113.62 113.07 1qr6 n SER 409 Ca 0.00 0.22 -0.10 0.00 -0.26 0.00 0.00 58.87 58.72 1qr6 n SER 409 Cb 0.00 0.82 -0.13 0.00 -0.26 0.00 0.00 64.21 64.64 1qr6 n SER 409 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1qr6 h ILE 410 N 0.00 1.34 -4.19 -1.33 2.04 -1.55 -3.46 117.51 110.37 1qr6 h ILE 410 Ca -0.13 -3.06 -0.52 0.00 1.00 0.00 0.00 64.86 62.15 1qr6 h ILE 410 Cb 1.37 2.73 -0.27 0.00 -0.74 0.00 0.00 36.82 39.91 1qr6 h ILE 410 CO 0.02 0.81 -0.82 0.20 0.00 0.00 0.00 178.15 178.36 1qr6 s ASN 411 N -6.66 1.97 0.07 1.72 0.01 -1.26 -5.04 114.94 105.75 1qr6 s ASN 411 Ca -0.03 -0.39 -0.28 0.00 -0.71 0.00 0.00 52.86 51.44 1qr6 s ASN 411 Cb 0.08 -0.18 -0.17 0.00 0.41 0.00 0.00 41.25 41.39 1qr6 s ASN 411 CO 0.83 0.15 1.61 -0.08 -1.51 0.00 0.00 177.10 178.10 1qr6 h GLU 412 N 5.31 -0.48 -3.20 -0.60 4.57 -1.90 -3.35 114.58 114.93 1qr6 h GLU 412 Ca -0.38 0.03 -0.63 0.00 -1.18 0.00 0.00 59.36 57.20 1qr6 h GLU 412 Cb 1.16 0.11 -0.41 0.00 -0.16 0.00 0.00 28.75 29.45 1qr6 h GLU 412 CO 0.46 -0.29 -0.63 1.03 -1.18 0.00 0.00 179.01 178.40 1qr6 s ARG 413 N -5.89 2.06 0.42 1.92 1.81 -1.26 -4.60 118.95 113.41 1qr6 s ARG 413 Ca -0.15 -2.82 -0.24 0.00 -1.72 0.00 0.00 55.73 50.79 1qr6 s ARG 413 Cb 0.04 -3.20 -0.08 0.00 -0.45 0.00 0.00 34.95 31.26 1qr6 s ARG 413 CO 0.63 -1.19 1.17 -1.25 -0.68 0.00 0.00 175.30 173.98 1qr6 s PRO 414 N -0.65 3.95 -0.35 3.54 0.04 -1.26 -4.66 135.00 135.61 1qr6 s PRO 414 Ca 0.20 1.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 1qr6 s PRO 414 Cb -0.17 -2.58 0.01 0.00 0.04 0.00 0.00 34.50 31.79 1qr6 s PRO 414 CO -0.07 -0.41 0.20 0.08 0.04 0.00 0.00 177.00 176.85 1qr6 s VAL 415 N -1.46 4.80 -0.19 -0.36 1.01 -1.13 -0.91 120.40 122.15 1qr6 s VAL 415 Ca 0.59 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 1qr6 s VAL 415 Cb -0.30 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 1qr6 s VAL 415 CO 0.37 -0.09 -0.10 0.27 0.00 0.00 0.00 175.10 175.56 1qr6 s ILE 416 N 1.62 3.02 -0.29 2.22 -4.36 -0.81 -0.56 121.20 122.04 1qr6 s ILE 416 Ca 0.04 -0.62 0.03 0.00 -0.26 0.00 0.00 60.65 59.83 1qr6 s ILE 416 Cb -0.18 -2.33 0.08 0.00 1.25 0.00 0.00 42.46 41.28 1qr6 s ILE 416 CO 0.08 0.47 -0.01 -0.36 0.24 0.00 0.00 174.94 175.35 1qr6 s PHE 417 N 1.19 3.18 -0.54 1.37 0.40 0.31 -2.59 117.98 121.31 1qr6 s PHE 417 Ca 0.02 -2.46 -0.13 0.00 -0.60 0.00 0.00 56.93 53.76 1qr6 s PHE 417 Cb -0.14 -2.27 0.13 0.00 0.51 0.00 0.00 43.02 41.25 1qr6 s PHE 417 CO -0.03 -0.89 0.46 0.00 0.70 0.00 0.00 175.22 175.45 1qr6 s ALA 418 N 1.12 3.58 -0.08 5.36 0.00 -0.54 0.37 121.76 131.57 1qr6 s ALA 418 Ca 0.02 -2.63 0.22 0.00 0.00 0.00 0.00 51.96 49.57 1qr6 s ALA 418 Cb -0.19 -3.10 -0.30 0.00 0.00 0.00 0.00 23.12 19.53 1qr6 s ALA 418 CO -0.08 -2.00 0.55 1.28 0.00 0.00 0.00 175.76 175.51 1qr6 n LEU 419 N 4.96 0.11 -4.68 0.00 4.32 0.47 -1.57 117.00 120.61 1qr6 n LEU 419 Ca -0.09 0.01 -0.45 0.00 -0.02 0.00 0.00 56.01 55.47 1qr6 n LEU 419 Cb 0.41 -0.01 -0.03 0.00 -1.62 0.00 0.00 43.42 42.17 1qr6 n LEU 419 CO 0.47 -0.01 1.16 -1.20 -1.22 0.00 0.00 177.39 176.59 1qr6 n SER 420 N -2.27 3.14 -4.39 -1.43 7.64 -1.02 -3.68 113.62 111.61 1qr6 n SER 420 Ca -0.03 1.10 -0.21 0.00 1.01 0.00 0.00 58.87 60.74 1qr6 n SER 420 Cb 0.56 -1.46 -0.10 0.00 -1.01 0.00 0.00 64.21 62.20 1qr6 n SER 420 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1qr6 s ASN 421 N 0.70 3.00 1.06 6.43 0.01 -1.26 -2.54 114.94 122.34 1qr6 s ASN 421 Ca 0.74 -0.98 -0.18 0.00 -0.71 0.00 0.00 52.86 51.73 1qr6 s ASN 421 Cb -0.64 -0.20 0.24 0.00 0.41 0.00 0.00 41.25 41.06 1qr6 s ASN 421 CO 0.42 -0.05 1.29 -2.16 -1.51 0.00 0.00 177.10 175.08 1qr6 s PRO 422 N -3.38 -0.13 0.24 -0.60 0.04 -1.26 -4.70 135.00 125.22 1qr6 s PRO 422 Ca 0.24 -0.42 0.13 0.00 0.04 0.00 0.00 61.00 60.98 1qr6 s PRO 422 Cb -0.04 -1.76 0.86 0.00 0.04 0.00 0.00 34.50 33.60 1qr6 s PRO 422 CO 0.10 -2.93 1.03 2.41 0.04 0.00 0.00 177.00 177.65 1qr6 n THR 423 N -4.12 -0.27 0.30 1.26 -1.04 -1.26 0.17 114.28 109.31 1qr6 n THR 423 Ca 0.16 1.33 0.19 0.00 -2.04 0.00 0.00 64.05 63.70 1qr6 n THR 423 Cb 0.59 -2.15 0.89 0.00 -1.82 0.00 0.00 70.33 67.84 1qr6 n THR 423 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qr6 h ALA 424 N 1.31 1.01 -0.00 2.41 0.00 -1.93 -2.22 119.26 119.82 1qr6 h ALA 424 Ca 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1qr6 h ALA 424 Cb 1.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1qr6 h ALA 424 CO -0.51 0.01 -0.83 1.04 0.00 0.00 0.00 179.25 178.96 1qr6 n GLN 425 N -3.10 0.31 -1.69 0.00 3.00 0.45 -3.97 117.38 112.36 1qr6 n GLN 425 Ca -0.01 -0.25 -0.40 0.00 -0.01 0.00 0.00 57.00 56.32 1qr6 n GLN 425 Cb 0.21 -1.49 0.02 0.00 0.00 0.00 0.00 30.24 28.98 1qr6 n GLN 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1qr6 n ALA 426 N -1.13 1.18 0.30 -1.58 0.00 -0.84 -1.58 120.51 116.86 1qr6 n ALA 426 Ca 0.06 0.23 0.17 0.00 0.00 0.00 0.00 53.44 53.89 1qr6 n ALA 426 Cb 0.36 -2.25 0.68 0.00 0.00 0.00 0.00 19.45 18.24 1qr6 n ALA 426 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1qr6 h GLU 427 N 1.87 0.00 0.00 0.00 3.07 -1.82 -2.13 114.58 115.57 1qr6 h GLU 427 Ca -0.48 0.00 0.31 0.00 -0.50 0.00 0.00 59.36 58.69 1qr6 h GLU 427 Cb 1.30 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.15 1qr6 h GLU 427 CO 0.59 0.00 0.80 0.00 -1.40 0.00 0.00 179.01 178.99 1qr6 s THR 429 N -2.03 1.55 0.07 0.00 -1.32 -1.26 -4.96 115.64 107.69 1qr6 s THR 429 Ca 0.26 -1.98 -0.34 0.00 -1.21 0.00 0.00 61.69 58.43 1qr6 s THR 429 Cb -0.01 -2.53 -0.19 0.00 -1.51 0.00 0.00 72.50 68.27 1qr6 s THR 429 CO -0.01 0.00 1.62 0.00 -2.21 0.00 0.00 174.62 174.02 1qr6 h ALA 430 N 1.51 -1.00 -0.07 11.08 0.00 -1.97 -1.92 119.26 126.89 1qr6 h ALA 430 Ca -0.44 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.29 1qr6 h ALA 430 Cb 1.28 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 1qr6 h ALA 430 CO 0.76 -1.06 -0.26 0.93 0.00 0.00 0.00 179.25 179.62 1qr6 h GLU 431 N -1.00 -0.35 0.00 0.00 4.39 -1.92 -0.03 114.58 115.67 1qr6 h GLU 431 Ca -0.10 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1qr6 h GLU 431 Cb 0.77 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1qr6 h GLU 431 CO 0.16 -0.24 0.00 0.39 -1.16 0.00 0.00 179.01 178.17 1qr6 n GLU 432 N -5.38 0.00 -0.32 2.33 1.02 -1.14 -0.10 120.64 117.05 1qr6 n GLU 432 Ca -0.04 0.44 -0.03 0.00 -0.02 0.00 0.00 57.16 57.52 1qr6 n GLU 432 Cb 0.29 -1.00 0.03 0.00 -0.02 0.00 0.00 31.44 30.74 1qr6 n GLU 432 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qr6 h ALA 433 N -2.00 0.07 -0.21 0.62 0.00 -1.31 0.48 119.26 116.91 1qr6 h ALA 433 Ca 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1qr6 h ALA 433 Cb 0.00 0.94 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1qr6 h ALA 433 CO 0.00 -0.65 0.13 1.88 0.00 0.00 0.00 179.25 180.61 1qr6 h TYR 434 N -0.06 0.28 -0.38 0.00 -1.99 -0.77 -2.71 116.97 111.33 1qr6 h TYR 434 Ca 0.30 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.99 1qr6 h TYR 434 Cb 0.58 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 39.20 1qr6 h TYR 434 CO -0.79 0.22 0.10 1.79 -0.00 0.00 0.00 178.16 179.47 1qr6 h THR 435 N 0.26 1.22 0.00 -2.88 1.35 0.46 -1.44 112.91 111.87 1qr6 h THR 435 Ca 0.08 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1qr6 h THR 435 Cb 0.02 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1qr6 h THR 435 CO -0.01 0.26 0.00 0.18 -0.25 0.00 0.00 175.52 175.70 1qr6 n LEU 436 N -4.59 0.00 0.00 3.87 4.32 0.07 -2.64 117.00 118.03 1qr6 n LEU 436 Ca -0.01 0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1qr6 n LEU 436 Cb 0.20 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 1qr6 n LEU 436 CO 0.38 -0.02 0.19 0.35 -1.22 0.00 0.00 177.39 177.08 1qr6 n THR 437 N -1.04 0.00 -1.09 -5.08 -2.24 -0.91 -4.47 114.28 99.45 1qr6 n THR 437 Ca 0.12 -0.44 -0.03 0.00 -2.27 0.00 0.00 64.05 61.43 1qr6 n THR 437 Cb 0.07 1.11 -0.01 0.00 -2.10 0.00 0.00 70.33 69.40 1qr6 n THR 437 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qr6 n GLU 438 N -0.09 -1.02 -1.99 -0.78 4.71 -0.61 -2.65 120.64 118.22 1qr6 n GLU 438 Ca 0.00 0.45 0.00 0.00 -0.01 0.00 0.00 57.16 57.60 1qr6 n GLU 438 Cb 0.03 -4.31 0.00 0.00 -1.01 0.00 0.00 31.44 26.14 1qr6 n GLU 438 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qr6 n GLY 439 N -1.01 0.96 0.06 0.62 0.00 -0.81 -4.98 105.19 100.03 1qr6 n GLY 439 Ca -0.03 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.38 1qr6 n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qr6 n ARG 440 N -0.40 1.34 -1.69 1.61 1.74 -1.08 -5.03 116.66 113.14 1qr6 n ARG 440 Ca 0.00 0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.78 1qr6 n ARG 440 Cb 0.40 -1.25 0.06 0.00 -1.02 0.00 0.00 32.46 30.64 1qr6 n ARG 440 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qr6 s LEU 442 N -4.86 3.10 0.07 0.00 1.43 -0.09 -4.92 118.68 113.41 1qr6 s LEU 442 Ca 0.70 -0.49 0.09 0.00 -1.03 0.00 0.00 54.13 53.40 1qr6 s LEU 442 Cb -0.24 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1qr6 s LEU 442 CO 0.41 -0.06 -0.24 0.12 0.23 0.00 0.00 176.35 176.82 1qr6 s PHE 443 N 1.47 2.40 -0.03 0.29 5.36 -1.26 -1.92 117.98 124.28 1qr6 s PHE 443 Ca 0.05 -0.35 -0.14 0.00 -0.96 0.00 0.00 56.93 55.52 1qr6 s PHE 443 Cb -0.15 -1.38 0.02 0.00 -0.34 0.00 0.00 43.02 41.18 1qr6 s PHE 443 CO -0.02 0.23 0.32 0.00 -1.46 0.00 0.00 175.22 174.28 1qr6 s ALA 444 N -0.92 -0.80 0.06 11.12 0.00 -1.07 -4.09 121.76 126.07 1qr6 s ALA 444 Ca 0.13 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 52.47 1qr6 s ALA 444 Cb -0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1qr6 s ALA 444 CO 0.04 -0.24 0.10 -1.54 0.00 0.00 0.00 175.76 174.12 1qr6 s SER 445 N -1.08 0.23 0.00 0.00 1.04 -1.15 -1.46 113.70 111.28 1qr6 s SER 445 Ca -0.11 -0.69 -0.24 0.00 0.48 0.00 0.00 55.95 55.38 1qr6 s SER 445 Cb -0.05 0.26 -0.18 0.00 0.10 0.00 0.00 66.02 66.15 1qr6 s SER 445 CO 0.04 -0.61 1.32 1.23 0.98 0.00 0.00 173.24 176.20 1qr6 h GLY 446 N 3.20 0.10 -2.61 7.32 0.00 -1.36 -0.40 103.07 109.32 1qr6 h GLY 446 Ca -0.33 -0.10 -0.50 0.00 0.00 0.00 0.00 47.33 46.40 1qr6 h GLY 446 CO 0.56 0.09 -0.01 -0.56 0.00 0.00 0.00 176.54 176.62 1qr6 s SER 447 N -5.76 6.39 0.49 0.19 0.01 -1.26 -4.51 113.70 109.25 1qr6 s SER 447 Ca -0.15 0.85 -0.20 0.00 1.31 0.00 0.00 55.95 57.75 1qr6 s SER 447 Cb 0.03 -2.20 -0.08 0.00 0.21 0.00 0.00 66.02 63.97 1qr6 s SER 447 CO 0.69 -0.37 1.03 -2.16 0.41 0.00 0.00 173.24 172.85 1qr6 s PRO 448 N -4.06 3.81 -0.10 12.44 0.04 -1.26 -4.90 135.00 140.97 1qr6 s PRO 448 Ca 0.46 1.32 -0.08 0.00 0.04 0.00 0.00 61.00 62.74 1qr6 s PRO 448 Cb -0.10 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1qr6 s PRO 448 CO 0.35 -0.41 0.27 -0.06 0.04 0.00 0.00 177.00 177.18 1qr6 s PHE 449 N -2.04 -0.32 0.66 0.56 0.40 -1.26 -5.04 117.98 110.94 1qr6 s PHE 449 Ca 0.66 0.76 -0.07 0.00 -0.60 0.00 0.00 56.93 57.68 1qr6 s PHE 449 Cb -0.15 0.09 0.03 0.00 0.51 0.00 0.00 43.02 43.50 1qr6 s PHE 449 CO 0.20 -0.17 0.97 0.20 0.70 0.00 0.00 175.22 177.13 1qr6 s GLY 450 N 0.48 1.65 0.53 4.36 0.00 -1.26 -4.56 107.32 108.52 1qr6 s GLY 450 Ca -0.03 -0.77 -0.14 0.00 0.00 0.00 0.00 44.72 43.78 1qr6 s GLY 450 CO -0.02 -0.43 -0.29 -1.05 0.00 0.00 0.00 173.10 171.31 1qr6 n PRO 451 N -2.78 0.00 -3.81 2.90 -0.02 -1.26 -4.75 135.00 125.28 1qr6 n PRO 451 Ca 0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.25 1qr6 n PRO 451 Cb 0.59 -0.78 -0.13 0.00 -0.02 0.00 0.00 33.50 33.16 1qr6 n PRO 451 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1qr6 s VAL 452 N -1.56 1.99 0.13 -1.45 1.01 0.40 -4.91 120.40 116.00 1qr6 s VAL 452 Ca 0.40 -3.05 -0.30 0.00 0.00 0.00 0.00 61.98 59.02 1qr6 s VAL 452 Cb -0.30 -2.37 -0.07 0.00 0.00 0.00 0.00 36.38 33.64 1qr6 s VAL 452 CO 0.56 -0.88 1.19 -0.75 0.00 0.00 0.00 175.10 175.22 1qr6 s LYS 453 N -0.11 4.48 0.35 2.72 2.20 -1.26 -2.71 119.74 125.41 1qr6 s LYS 453 Ca 0.19 1.81 0.07 0.00 -0.36 0.00 0.00 55.97 57.68 1qr6 s LYS 453 Cb -0.22 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 1qr6 s LYS 453 CO -0.03 -0.14 0.31 -0.51 -0.36 0.00 0.00 175.35 174.63 1qr6 s LEU 454 N 0.33 3.56 0.59 5.43 1.43 -0.82 -4.93 118.68 124.27 1qr6 s LEU 454 Ca 0.55 -0.54 0.31 0.00 -1.03 0.00 0.00 54.13 53.41 1qr6 s LEU 454 Cb -0.31 -2.19 1.29 0.00 0.03 0.00 0.00 46.19 45.01 1qr6 s LEU 454 CO 0.33 -0.42 1.63 0.71 0.23 0.00 0.00 176.35 178.83 1qr6 h THR 455 N 1.20 0.19 -0.23 5.49 1.35 -1.96 1.35 112.91 120.30 1qr6 h THR 455 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1qr6 h THR 455 Cb 1.26 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1qr6 h THR 455 CO 0.58 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.95 1qr6 n ASP 456 N -3.58 2.67 0.00 5.36 5.68 -1.26 -4.93 116.55 120.48 1qr6 n ASP 456 Ca 0.19 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.61 1qr6 n ASP 456 Cb 1.18 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 41.01 1qr6 n ASP 456 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qr6 n GLY 457 N 1.34 0.43 3.59 6.12 0.00 0.46 -5.01 105.19 112.12 1qr6 n GLY 457 Ca 0.17 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1qr6 n GLY 457 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qr6 s ARG 458 N -1.55 3.77 -0.29 1.61 3.52 -1.25 -4.79 118.95 119.99 1qr6 s ARG 458 Ca 0.00 0.35 -0.24 0.00 -0.13 0.00 0.00 55.73 55.72 1qr6 s ARG 458 Cb 0.00 -3.80 -0.00 0.00 -1.56 0.00 0.00 34.95 29.59 1qr6 s ARG 458 CO 0.00 -0.85 0.80 0.08 -0.81 0.00 0.00 175.30 174.52 1qr6 s VAL 459 N 3.13 4.80 -0.44 7.11 1.01 -1.26 -1.94 120.40 132.81 1qr6 s VAL 459 Ca 0.32 1.30 -0.04 0.00 0.00 0.00 0.00 61.98 63.56 1qr6 s VAL 459 Cb -0.13 -4.14 0.12 0.00 0.00 0.00 0.00 36.38 32.23 1qr6 s VAL 459 CO 0.17 -0.20 0.25 -0.36 0.00 0.00 0.00 175.10 174.96 1qr6 s PHE 460 N 2.93 3.55 -0.57 5.22 0.08 -1.10 -4.88 117.98 123.21 1qr6 s PHE 460 Ca 0.33 -2.32 -0.22 0.00 0.12 0.00 0.00 56.93 54.84 1qr6 s PHE 460 Cb -0.14 -3.29 0.06 0.00 -0.57 0.00 0.00 43.02 39.08 1qr6 s PHE 460 CO 0.11 -0.97 0.82 0.99 -0.10 0.00 0.00 175.22 176.07 1qr6 s THR 461 N 1.11 4.58 0.73 0.64 2.01 -0.57 -0.46 115.64 123.68 1qr6 s THR 461 Ca 0.08 -0.27 -0.11 0.00 0.31 0.00 0.00 61.69 61.70 1qr6 s THR 461 Cb -0.23 -4.49 0.03 0.00 0.01 0.00 0.00 72.50 67.82 1qr6 s THR 461 CO -0.03 -1.10 1.08 -2.16 -0.69 0.00 0.00 174.62 171.71 1qr6 s PRO 462 N 3.40 2.61 0.30 4.92 0.04 -1.26 -2.86 135.00 142.15 1qr6 s PRO 462 Ca 0.21 0.77 0.08 0.00 0.04 0.00 0.00 61.00 62.10 1qr6 s PRO 462 Cb -0.17 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1qr6 s PRO 462 CO 0.13 -1.28 0.13 0.20 0.04 0.00 0.00 177.00 176.22 1qr6 s GLY 463 N -3.91 1.74 -0.11 0.56 0.00 -1.26 -4.85 107.32 99.49 1qr6 s GLY 463 Ca 0.59 -1.68 0.02 0.00 0.00 0.00 0.00 44.72 43.64 1qr6 s GLY 463 CO 0.54 -1.67 -0.17 1.62 0.00 0.00 0.00 173.10 173.43 1qr6 s GLN 464 N -3.82 3.19 -1.39 2.90 0.74 -1.26 -2.93 119.66 117.10 1qr6 s GLN 464 Ca 0.35 -0.75 -0.10 0.00 0.05 0.00 0.00 55.36 54.91 1qr6 s GLN 464 Cb -0.05 -2.50 0.08 0.00 1.10 0.00 0.00 33.01 31.65 1qr6 s GLN 464 CO 0.23 0.24 2.25 0.41 -0.55 0.00 0.00 175.29 177.87 1qr6 n GLY 465 N 3.42 4.70 3.76 2.59 0.00 -0.16 -4.94 105.19 114.56 1qr6 n GLY 465 Ca -0.18 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 1qr6 n GLY 465 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qr6 s ASN 466 N 1.53 7.10 0.46 1.61 3.84 -1.26 -4.79 114.94 123.44 1qr6 s ASN 466 Ca 0.49 1.32 0.16 0.00 0.21 0.00 0.00 52.86 55.04 1qr6 s ASN 466 Cb 0.14 -2.41 1.12 0.00 -0.55 0.00 0.00 41.25 39.55 1qr6 s ASN 466 CO -0.05 0.09 2.00 0.78 -2.79 0.00 0.00 177.10 177.13 1qr6 h ASN 467 N 5.46 0.26 0.00 -4.21 4.21 -1.93 -2.29 115.58 117.09 1qr6 h ASN 467 Ca -0.45 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.06 1qr6 h ASN 467 Cb 1.20 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.35 1qr6 h ASN 467 CO 0.69 0.16 0.30 1.33 -1.29 0.00 0.00 177.43 178.62 1qr6 n VAL 468 N -4.46 0.83 0.10 2.81 0.24 -1.26 0.36 118.33 116.95 1qr6 n VAL 468 Ca 0.08 0.51 -0.16 0.00 -2.04 0.00 0.00 64.34 62.73 1qr6 n VAL 468 Cb 0.38 -1.51 -0.12 0.00 -1.47 0.00 0.00 33.84 31.12 1qr6 n VAL 468 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1qr6 h TYR 469 N 0.00 0.57 0.00 6.34 0.99 -1.82 -3.39 116.97 119.66 1qr6 h TYR 469 Ca 0.00 -0.39 0.00 0.00 2.00 0.00 0.00 58.73 60.34 1qr6 h TYR 469 Cb 0.59 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 38.29 1qr6 h TYR 469 CO 0.00 1.28 -0.27 -0.89 -0.00 0.00 0.00 178.16 178.29 1qr6 n ILE 470 N -3.60 0.54 -0.34 -2.88 2.08 0.16 -4.65 119.36 110.66 1qr6 n ILE 470 Ca -0.09 0.38 0.18 0.00 0.56 0.00 0.00 62.75 63.78 1qr6 n ILE 470 Cb 0.99 -1.82 0.40 0.00 -0.75 0.00 0.00 39.64 38.46 1qr6 n ILE 470 CO 0.00 0.00 0.00 2.19 0.56 0.00 0.00 176.55 179.30 1qr6 h PHE 471 N -0.37 0.98 0.57 1.39 -5.15 -1.80 -1.59 116.94 110.96 1qr6 h PHE 471 Ca 0.00 0.03 -0.03 0.00 -0.20 0.00 0.00 57.97 57.78 1qr6 h PHE 471 Cb 0.27 -0.28 0.01 0.00 0.22 0.00 0.00 35.95 36.16 1qr6 h PHE 471 CO -0.11 0.07 -0.27 -1.35 -2.00 0.00 0.00 178.31 174.64 1qr6 h PRO 472 N 0.57 -0.73 0.00 6.09 0.11 -1.84 0.34 132.00 136.54 1qr6 h PRO 472 Ca 0.64 0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.77 1qr6 h PRO 472 Cb 1.25 0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.52 1qr6 h PRO 472 CO -0.46 -0.47 -0.15 0.78 -0.21 0.00 0.00 178.00 177.50 1qr6 h GLY 473 N -0.80 0.00 1.60 -0.55 0.00 -1.63 -2.34 103.07 99.34 1qr6 h GLY 473 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.98 1qr6 h GLY 473 CO 0.13 0.00 -1.27 -2.08 0.00 0.00 0.00 176.54 173.32 1qr6 h VAL 474 N 0.00 1.47 -0.43 4.60 2.07 -1.10 -2.94 116.25 119.91 1qr6 h VAL 474 Ca -0.00 -3.05 -0.10 0.00 0.82 0.00 0.00 66.70 64.38 1qr6 h VAL 474 Cb 0.37 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1qr6 h VAL 474 CO 0.02 0.89 -0.11 0.00 0.02 0.00 0.00 177.57 178.39 1qr6 h ALA 475 N 0.58 0.59 -0.37 1.67 0.00 -0.61 -2.29 119.26 118.84 1qr6 h ALA 475 Ca -0.14 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1qr6 h ALA 475 Cb 1.97 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 1qr6 h ALA 475 CO 0.20 0.48 -0.15 1.25 0.00 0.00 0.00 179.25 181.03 1qr6 h LEU 476 N 0.66 0.66 -0.27 0.00 5.85 -1.53 -0.70 115.31 119.99 1qr6 h LEU 476 Ca 0.11 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1qr6 h LEU 476 Cb 0.65 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1qr6 h LEU 476 CO 0.04 0.83 0.00 0.00 -0.34 0.00 0.00 178.44 178.98 1qr6 h ALA 477 N 1.23 0.36 -0.65 1.25 0.00 -1.39 -1.32 119.26 118.74 1qr6 h ALA 477 Ca 0.10 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1qr6 h ALA 477 Cb 0.60 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1qr6 h ALA 477 CO 0.04 0.10 0.07 0.28 0.00 0.00 0.00 179.25 179.74 1qr6 h VAL 478 N 0.26 1.26 0.15 0.00 2.07 -1.30 -2.40 116.25 116.30 1qr6 h VAL 478 Ca 0.08 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1qr6 h VAL 478 Cb 0.42 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1qr6 h VAL 478 CO 0.01 0.40 -0.07 0.40 0.02 0.00 0.00 177.57 178.33 1qr6 h ILE 479 N 1.02 0.96 0.00 4.57 2.04 -1.03 -2.23 117.51 122.83 1qr6 h ILE 479 Ca 0.19 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1qr6 h ILE 479 Cb 0.48 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1qr6 h ILE 479 CO 0.02 0.12 -0.05 -0.07 0.00 0.00 0.00 178.15 178.16 1qr6 h LEU 480 N -0.45 0.00 -1.38 1.44 3.38 -1.23 -2.60 115.31 114.46 1qr6 h LEU 480 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1qr6 h LEU 480 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1qr6 h LEU 480 CO 0.03 0.05 -0.12 0.00 0.09 0.00 0.00 178.44 178.49 1qr6 n ASN 482 N 0.60 -5.06 -4.74 0.00 3.02 -0.98 0.16 115.26 108.25 1qr6 n ASN 482 Ca 0.14 -0.22 -0.36 0.00 -0.03 0.00 0.00 54.58 54.11 1qr6 n ASN 482 Cb 0.49 -4.15 0.05 0.00 -0.61 0.00 0.00 39.78 35.56 1qr6 n ASN 482 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1qr6 s THR 483 N -3.01 2.36 -0.30 3.41 2.01 -0.86 -3.95 115.64 115.29 1qr6 s THR 483 Ca 0.26 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.52 1qr6 s THR 483 Cb -0.12 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 1qr6 s THR 483 CO 0.32 -0.05 0.32 0.54 -0.69 0.00 0.00 174.62 175.05 1qr6 n ARG 484 N -1.83 3.82 -3.67 4.92 1.74 -1.26 -4.77 116.66 115.62 1qr6 n ARG 484 Ca 0.15 -0.24 -0.15 0.00 -0.77 0.00 0.00 57.85 56.84 1qr6 n ARG 484 Cb 0.49 -0.81 -0.08 0.00 -1.02 0.00 0.00 32.46 31.04 1qr6 n ARG 484 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1qr6 s HIS 485 N -1.07 -0.51 -0.26 -1.55 3.76 -1.26 -2.48 115.29 111.92 1qr6 s HIS 485 Ca 0.03 1.08 0.00 0.00 -0.15 0.00 0.00 55.06 56.01 1qr6 s HIS 485 Cb 0.03 0.23 0.05 0.00 1.11 0.00 0.00 32.58 33.99 1qr6 s HIS 485 CO 0.13 -0.39 -0.07 0.42 -0.85 0.00 0.00 174.74 173.98 1qr6 s ILE 486 N -0.46 2.60 0.20 0.60 1.01 -1.26 -4.98 121.20 118.89 1qr6 s ILE 486 Ca -0.06 -1.35 -0.06 0.00 0.00 0.00 0.00 60.65 59.18 1qr6 s ILE 486 Cb -0.03 -2.43 -0.06 0.00 0.01 0.00 0.00 42.46 39.95 1qr6 s ILE 486 CO 0.04 0.05 0.46 -0.94 0.00 0.00 0.00 174.94 174.54 1qr6 s SER 487 N 1.22 6.51 0.56 3.58 1.04 -1.26 -4.95 113.70 120.40 1qr6 s SER 487 Ca -0.04 0.69 0.30 0.00 0.48 0.00 0.00 55.95 57.38 1qr6 s SER 487 Cb -0.19 -2.13 1.46 0.00 0.10 0.00 0.00 66.02 65.27 1qr6 s SER 487 CO -0.04 -0.04 1.89 0.44 0.98 0.00 0.00 173.24 176.47 1qr6 h ASP 488 N 2.47 0.00 0.08 7.02 3.32 -2.01 0.84 116.42 128.14 1qr6 h ASP 488 Ca -0.47 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1qr6 h ASP 488 Cb 1.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1qr6 h ASP 488 CO 0.70 0.00 -0.02 0.28 -1.72 0.00 0.00 179.24 178.48 1qr6 h SER 489 N 0.00 0.00 0.18 6.45 0.02 -1.99 0.80 113.55 119.01 1qr6 h SER 489 Ca 0.34 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.13 1qr6 h SER 489 Cb 1.49 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.03 1qr6 h SER 489 CO -0.00 0.02 -0.58 0.58 -1.14 0.00 0.00 176.83 175.70 1qr6 h VAL 490 N 0.00 1.35 -0.03 2.27 2.07 0.34 -2.14 116.25 120.10 1qr6 h VAL 490 Ca -0.00 -1.88 -0.25 0.00 0.82 0.00 0.00 66.70 65.38 1qr6 h VAL 490 Cb 0.06 1.89 0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1qr6 h VAL 490 CO 0.00 0.57 -0.98 -0.26 0.02 0.00 0.00 177.57 176.93 1qr6 h PHE 491 N 0.31 0.97 -0.92 1.57 -1.00 -0.95 -1.60 116.94 115.32 1qr6 h PHE 491 Ca -0.00 -0.51 0.08 0.00 2.81 0.00 0.00 57.97 60.35 1qr6 h PHE 491 Cb 1.11 -0.12 -0.07 0.00 3.61 0.00 0.00 35.95 40.48 1qr6 h PHE 491 CO 0.04 1.34 0.57 1.25 -1.61 0.00 0.00 178.31 179.90 1qr6 h LEU 492 N 0.39 0.88 -0.92 1.54 5.85 -1.18 0.19 115.31 122.06 1qr6 h LEU 492 Ca -0.11 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 1qr6 h LEU 492 Cb 1.62 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 1qr6 h LEU 492 CO 0.19 0.54 -0.36 -0.08 -0.34 0.00 0.00 178.44 178.39 1qr6 h GLU 493 N 1.00 0.35 -0.30 1.25 4.57 -1.22 -2.02 114.58 118.22 1qr6 h GLU 493 Ca 0.42 -0.15 -0.10 0.00 -1.18 0.00 0.00 59.36 58.34 1qr6 h GLU 493 Cb 0.26 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1qr6 h GLU 493 CO -0.20 0.66 -0.21 0.00 -1.18 0.00 0.00 179.01 178.08 1qr6 h ALA 494 N 1.33 0.43 -0.29 2.92 0.00 0.01 0.39 119.26 124.04 1qr6 h ALA 494 Ca 0.03 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1qr6 h ALA 494 Cb 0.77 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1qr6 h ALA 494 CO 0.06 0.38 0.03 0.00 0.00 0.00 0.00 179.25 179.72 1qr6 h ALA 495 N 0.73 0.28 0.00 0.00 0.00 -0.52 0.33 119.26 120.08 1qr6 h ALA 495 Ca 0.06 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1qr6 h ALA 495 Cb 0.76 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1qr6 h ALA 495 CO 0.06 -0.38 -0.40 0.87 0.00 0.00 0.00 179.25 179.39 1qr6 h LYS 496 N 0.12 0.00 -0.12 0.00 1.57 -1.27 -1.03 116.57 115.84 1qr6 h LYS 496 Ca 0.14 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.71 1qr6 h LYS 496 Cb 0.17 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.48 1qr6 h LYS 496 CO -0.21 0.40 -0.78 0.00 -0.57 0.00 0.00 179.45 178.29 1qr6 h ALA 497 N 1.60 0.41 0.25 3.86 0.00 0.05 -2.65 119.26 122.77 1qr6 h ALA 497 Ca -0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1qr6 h ALA 497 Cb 0.74 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1qr6 h ALA 497 CO 0.05 0.72 -0.12 1.25 0.00 0.00 0.00 179.25 181.15 1qr6 h LEU 498 N 0.43 -0.28 -1.99 0.00 5.85 -0.10 -3.13 115.31 116.10 1qr6 h LEU 498 Ca -0.05 -0.25 0.16 0.00 0.84 0.00 0.00 57.88 58.58 1qr6 h LEU 498 Cb 1.39 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.47 1qr6 h LEU 498 CO 0.15 0.18 0.47 0.74 -0.34 0.00 0.00 178.44 179.64 1qr6 h THR 499 N -0.83 0.50 0.00 1.05 2.02 -1.28 0.77 112.91 115.15 1qr6 h THR 499 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1qr6 h THR 499 Cb 0.51 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1qr6 h THR 499 CO 0.06 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.41 1qr6 n SER 500 N -4.00 0.00 0.12 4.18 3.41 -1.00 -2.46 113.62 113.87 1qr6 n SER 500 Ca 0.10 0.43 -0.01 0.00 -0.26 0.00 0.00 58.87 59.14 1qr6 n SER 500 Cb 0.69 -0.47 0.03 0.00 -0.26 0.00 0.00 64.21 64.20 1qr6 n SER 500 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1qr6 h GLN 501 N 0.00 0.00 -6.37 4.33 1.08 0.53 -3.45 115.11 111.23 1qr6 h GLN 501 Ca 0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 1qr6 h GLN 501 Cb 0.35 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.80 1qr6 h GLN 501 CO 0.00 0.67 1.20 -0.11 -0.95 0.00 0.00 178.83 179.63 1qr6 n LEU 502 N -3.35 4.05 -4.90 1.46 0.00 -1.03 -4.90 117.00 108.33 1qr6 n LEU 502 Ca 0.01 0.92 -0.28 0.00 0.00 0.00 0.00 56.01 56.66 1qr6 n LEU 502 Cb 0.77 -1.51 -0.03 0.00 0.00 0.00 0.00 43.42 42.65 1qr6 n LEU 502 CO 0.42 0.16 0.23 0.42 0.00 0.00 0.00 177.39 178.63 1qr6 s THR 503 N 4.15 5.00 0.19 1.96 -4.23 -1.26 -4.98 115.64 116.46 1qr6 s THR 503 Ca 0.88 0.09 -0.22 0.00 -1.18 0.00 0.00 61.69 61.26 1qr6 s THR 503 Cb -0.48 -3.74 0.11 0.00 1.34 0.00 0.00 72.50 69.72 1qr6 s THR 503 CO 0.43 -0.37 1.57 0.44 -0.54 0.00 0.00 174.62 176.15 1qr6 h ASP 504 N 1.54 -1.38 -0.41 3.99 5.19 -1.99 -2.40 116.42 120.96 1qr6 h ASP 504 Ca -0.48 0.25 0.07 0.00 -0.62 0.00 0.00 57.03 56.26 1qr6 h ASP 504 Cb 1.19 0.67 -0.09 0.00 0.18 0.00 0.00 39.33 41.28 1qr6 h ASP 504 CO 0.65 -0.31 -0.40 -0.33 -3.12 0.00 0.00 179.24 175.74 1qr6 h GLU 505 N -0.15 -0.29 -0.04 3.56 3.07 -1.97 0.39 114.58 119.15 1qr6 h GLU 505 Ca 0.23 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.12 1qr6 h GLU 505 Cb 0.56 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1qr6 h GLU 505 CO -0.75 -0.20 0.04 1.05 -1.40 0.00 0.00 179.01 177.75 1qr6 h GLU 506 N -0.30 0.00 0.04 2.33 4.11 -1.80 0.33 114.58 119.29 1qr6 h GLU 506 Ca 0.15 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.34 1qr6 h GLU 506 Cb 0.57 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1qr6 h GLU 506 CO -0.57 0.00 -1.16 1.25 0.07 0.00 0.00 179.01 178.60 1qr6 h LEU 507 N 0.00 0.14 -0.51 3.06 5.85 -0.79 0.15 115.31 123.22 1qr6 h LEU 507 Ca 0.02 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1qr6 h LEU 507 Cb 0.10 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1qr6 h LEU 507 CO -0.00 1.13 0.00 0.00 -0.34 0.00 0.00 178.44 179.22 1qr6 n ALA 508 N -2.44 1.47 0.75 1.25 0.00 0.12 -1.82 120.51 119.83 1qr6 n ALA 508 Ca -0.05 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1qr6 n ALA 508 Cb 0.98 -1.27 0.04 0.00 0.00 0.00 0.00 19.45 19.19 1qr6 n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1qr6 n GLN 509 N -1.91 1.55 0.00 0.00 6.02 -0.43 -4.96 117.38 117.64 1qr6 n GLN 509 Ca 0.02 -1.23 0.00 0.00 -0.01 0.00 0.00 57.00 55.78 1qr6 n GLN 509 Cb 0.15 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.08 1qr6 n GLN 509 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qr6 n GLY 510 N 1.08 0.35 3.66 1.08 0.00 -0.76 -1.52 105.19 109.09 1qr6 n GLY 510 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1qr6 n GLY 510 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qr6 s ARG 511 N -0.96 4.23 0.00 1.61 0.52 0.52 -4.29 118.95 120.58 1qr6 s ARG 511 Ca 0.00 1.71 0.22 0.00 -0.52 0.00 0.00 55.73 57.14 1qr6 s ARG 511 Cb 0.00 -3.78 0.52 0.00 0.52 0.00 0.00 34.95 32.21 1qr6 s ARG 511 CO 0.00 -0.72 1.44 1.28 0.02 0.00 0.00 175.30 177.33 1qr6 n LEU 512 N 6.65 2.96 -3.83 2.53 4.32 -1.26 -3.92 117.00 124.45 1qr6 n LEU 512 Ca 0.14 -1.31 -0.09 0.00 -0.02 0.00 0.00 56.01 54.72 1qr6 n LEU 512 Cb 0.45 -0.25 -0.07 0.00 -1.62 0.00 0.00 43.42 41.93 1qr6 n LEU 512 CO 0.56 0.66 -0.07 -0.31 -1.22 0.00 0.00 177.39 177.02 1qr6 s TYR 513 N -1.51 0.09 0.70 -1.77 1.51 -1.26 -4.54 117.35 110.57 1qr6 s TYR 513 Ca 0.37 -0.46 -0.11 0.00 -1.01 0.00 0.00 57.07 55.86 1qr6 s TYR 513 Cb 0.21 -0.02 0.01 0.00 -0.11 0.00 0.00 41.96 42.06 1qr6 s TYR 513 CO 0.29 -0.54 1.07 -2.14 -1.11 0.00 0.00 175.55 173.12 1qr6 s PRO 514 N -3.59 2.83 0.13 -1.71 0.02 -1.26 -4.93 135.00 126.50 1qr6 s PRO 514 Ca 0.03 1.04 -0.32 0.00 0.02 0.00 0.00 61.00 61.77 1qr6 s PRO 514 Cb 0.03 -1.97 -0.12 0.00 0.02 0.00 0.00 34.50 32.46 1qr6 s PRO 514 CO -0.10 -1.19 1.76 -2.30 -0.33 0.00 0.00 177.00 174.85 1qr6 n PRO 515 N -3.07 2.58 0.23 5.54 -0.02 -1.26 -4.82 135.00 134.18 1qr6 n PRO 515 Ca 0.08 0.94 0.15 0.00 -2.02 0.00 0.00 63.50 62.65 1qr6 n PRO 515 Cb 0.53 -2.79 0.81 0.00 -0.02 0.00 0.00 33.50 32.04 1qr6 n PRO 515 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1qr6 h LEU 516 N 7.62 0.00 -1.33 2.45 5.85 -1.97 -1.65 115.31 126.29 1qr6 h LEU 516 Ca -0.46 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.35 1qr6 h LEU 516 Cb 1.23 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 1qr6 h LEU 516 CO 0.94 0.00 0.52 0.00 -0.34 0.00 0.00 178.44 179.56 1qr6 h ALA 517 N 2.01 1.72 -1.22 1.25 0.00 -1.98 -2.85 119.26 118.20 1qr6 h ALA 517 Ca 0.00 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.25 1qr6 h ALA 517 Cb 0.02 -0.18 -0.37 0.00 0.00 0.00 0.00 17.79 17.27 1qr6 h ALA 517 CO 0.00 0.13 -0.08 0.27 0.00 0.00 0.00 179.25 179.57 1qr6 n ASN 518 N -4.50 5.82 0.30 0.00 6.94 -0.62 -4.71 115.26 118.49 1qr6 n ASN 518 Ca 0.13 -3.77 0.17 0.00 -0.02 0.00 0.00 54.58 51.10 1qr6 n ASN 518 Cb 0.30 -0.67 0.93 0.00 -2.36 0.00 0.00 39.78 37.98 1qr6 n ASN 518 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 1qr6 h ILE 519 N 2.22 0.28 0.00 1.53 6.09 -1.65 -2.71 117.51 123.28 1qr6 h ILE 519 Ca 0.41 -0.25 0.00 0.00 -1.37 0.00 0.00 64.86 63.66 1qr6 h ILE 519 Cb 0.73 1.19 0.00 0.00 0.47 0.00 0.00 36.82 39.21 1qr6 h ILE 519 CO 1.07 0.04 0.00 0.00 -3.07 0.00 0.00 178.15 176.19 1qr6 n GLN 520 N -3.41 0.00 -0.16 2.19 6.02 -1.26 -0.18 117.38 120.58 1qr6 n GLN 520 Ca -0.02 0.43 0.08 0.00 -0.01 0.00 0.00 57.00 57.48 1qr6 n GLN 520 Cb 0.16 -1.41 0.39 0.00 1.02 0.00 0.00 30.24 30.40 1qr6 n GLN 520 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1qr6 h GLU 521 N 0.00 0.65 -0.32 -1.09 4.11 -1.84 0.21 114.58 116.30 1qr6 h GLU 521 Ca 0.00 -0.04 -0.05 0.00 0.07 0.00 0.00 59.36 59.34 1qr6 h GLU 521 Cb 0.00 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1qr6 h GLU 521 CO 0.00 0.43 -0.03 0.28 0.07 0.00 0.00 179.01 179.76 1qr6 h VAL 522 N 0.67 1.20 0.02 -1.06 2.07 -1.47 0.26 116.25 117.94 1qr6 h VAL 522 Ca 0.31 -0.82 -0.24 0.00 0.82 0.00 0.00 66.70 66.77 1qr6 h VAL 522 Cb 0.35 1.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1qr6 h VAL 522 CO -0.10 0.28 -1.00 0.28 0.02 0.00 0.00 177.57 177.04 1qr6 h SER 523 N 0.47 0.60 0.05 0.57 0.02 0.23 -2.50 113.55 113.00 1qr6 h SER 523 Ca 0.10 -0.50 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1qr6 h SER 523 Cb 0.36 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1qr6 h SER 523 CO 0.01 1.31 -0.03 0.40 -1.14 0.00 0.00 176.83 177.39 1qr6 h ILE 524 N 0.24 1.22 -0.70 3.27 1.08 -0.35 -1.86 117.51 120.42 1qr6 h ILE 524 Ca -0.10 -0.95 0.13 0.00 -0.39 0.00 0.00 64.86 63.55 1qr6 h ILE 524 Cb 1.65 1.84 -0.04 0.00 -3.07 0.00 0.00 36.82 37.19 1qr6 h ILE 524 CO 0.18 0.24 0.47 0.78 -0.69 0.00 0.00 178.15 179.12 1qr6 h ASN 525 N -0.50 0.38 0.61 1.72 4.21 -0.57 0.58 115.58 122.01 1qr6 h ASN 525 Ca -0.01 0.02 -0.12 0.00 1.21 0.00 0.00 56.30 57.40 1qr6 h ASN 525 Cb 0.44 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.56 1qr6 h ASN 525 CO 0.01 0.21 -0.57 0.40 -1.29 0.00 0.00 177.43 176.19 1qr6 h ILE 526 N 0.41 1.38 0.04 2.81 2.04 -1.29 -2.34 117.51 120.56 1qr6 h ILE 526 Ca 0.33 -1.99 -0.00 0.00 1.00 0.00 0.00 64.86 64.20 1qr6 h ILE 526 Cb 0.74 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1qr6 h ILE 526 CO -0.10 0.56 -0.02 0.00 0.00 0.00 0.00 178.15 178.59 1qr6 h ALA 527 N 1.43 -0.05 -0.77 1.87 0.00 0.92 -0.96 119.26 121.69 1qr6 h ALA 527 Ca -0.01 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1qr6 h ALA 527 Cb 1.04 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1qr6 h ALA 527 CO 0.07 -0.33 0.51 0.82 0.00 0.00 0.00 179.25 180.32 1qr6 h ILE 528 N -0.45 1.16 0.20 0.00 2.04 -1.02 -0.93 117.51 118.51 1qr6 h ILE 528 Ca -0.01 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1qr6 h ILE 528 Cb 0.41 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1qr6 h ILE 528 CO 0.01 0.18 -0.09 0.11 0.00 0.00 0.00 178.15 178.36 1qr6 h LYS 529 N 0.99 -0.25 0.00 2.37 1.79 -1.33 -2.49 116.57 117.65 1qr6 h LYS 529 Ca 0.30 0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.74 1qr6 h LYS 529 Cb -0.03 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1qr6 h LYS 529 CO -0.08 0.09 -0.18 0.28 -1.08 0.00 0.00 179.45 178.48 1qr6 h VAL 530 N -0.63 0.90 -0.08 0.50 2.07 -0.95 -2.00 116.25 116.05 1qr6 h VAL 530 Ca -0.03 -0.69 -0.09 0.00 0.82 0.00 0.00 66.70 66.72 1qr6 h VAL 530 Cb 0.46 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1qr6 h VAL 530 CO 0.04 0.18 -0.29 0.71 0.02 0.00 0.00 177.57 178.23 1qr6 h THR 531 N 0.00 1.41 -1.01 2.57 1.35 -1.17 -0.04 112.91 116.02 1qr6 h THR 531 Ca -0.00 -1.66 0.15 0.00 -0.55 0.00 0.00 66.41 64.35 1qr6 h THR 531 Cb 0.38 2.25 -0.09 0.00 -1.73 0.00 0.00 68.15 68.95 1qr6 h THR 531 CO 0.02 0.48 0.63 -0.33 -0.25 0.00 0.00 175.52 176.07 1qr6 h GLU 532 N -0.12 0.88 -0.20 4.72 5.08 -1.14 0.97 114.58 124.76 1qr6 h GLU 532 Ca -0.01 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.12 1qr6 h GLU 532 Cb 0.92 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1qr6 h GLU 532 CO 0.06 0.58 -0.58 -0.92 -1.00 0.00 0.00 179.01 177.15 1qr6 h TYR 533 N 0.90 0.82 -0.27 4.33 3.20 -1.18 -1.66 116.97 123.10 1qr6 h TYR 533 Ca 0.53 -0.30 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 1qr6 h TYR 533 Cb 0.66 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1qr6 h TYR 533 CO -0.00 1.07 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.49 1qr6 h LEU 534 N 0.49 0.49 0.75 2.82 3.38 0.10 -1.50 115.31 121.84 1qr6 h LEU 534 Ca 0.00 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1qr6 h LEU 534 Cb 1.15 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.78 1qr6 h LEU 534 CO 0.11 0.70 -0.36 1.88 0.09 0.00 0.00 178.44 180.86 1qr6 h TYR 535 N 0.26 -0.94 -0.54 1.13 0.99 -0.94 -2.44 116.97 114.50 1qr6 h TYR 535 Ca 0.07 -0.02 0.16 0.00 2.00 0.00 0.00 58.73 60.94 1qr6 h TYR 535 Cb 0.47 0.31 -0.02 0.00 1.00 0.00 0.00 36.73 38.49 1qr6 h TYR 535 CO 0.04 -0.56 0.72 0.00 -0.00 0.00 0.00 178.16 178.35 1qr6 h ALA 536 N -1.09 2.29 -0.27 3.88 0.00 -1.31 0.50 119.26 123.27 1qr6 h ALA 536 Ca -0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1qr6 h ALA 536 Cb 0.79 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1qr6 h ALA 536 CO 0.17 -0.99 0.00 0.09 0.00 0.00 0.00 179.25 178.52 1qr6 n ASN 537 N -3.38 3.91 -2.94 0.00 3.02 -0.57 -5.07 115.26 110.24 1qr6 n ASN 537 Ca 0.11 -3.03 -0.07 0.00 -0.03 0.00 0.00 54.58 51.55 1qr6 n ASN 537 Cb 0.91 -0.55 0.01 0.00 -0.61 0.00 0.00 39.78 39.54 1qr6 n ASN 537 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qr6 n LYS 538 N -0.50 -2.44 -0.08 3.52 4.76 0.18 -5.01 118.16 118.59 1qr6 n LYS 538 Ca 0.22 2.09 0.00 0.00 -2.87 0.00 0.00 58.31 57.75 1qr6 n LYS 538 Cb 0.91 -4.30 0.00 0.00 -1.84 0.00 0.00 35.03 29.80 1qr6 n LYS 538 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qr6 n ALA 540 N 0.41 -1.00 -0.10 7.82 0.00 -1.06 -5.02 120.51 121.56 1qr6 n ALA 540 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1qr6 n ALA 540 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1qr6 n ALA 540 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1qr6 n PHE 541 N -0.19 0.00 -2.39 0.00 3.01 0.41 -4.87 117.46 113.43 1qr6 n PHE 541 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.06 1qr6 n PHE 541 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 1qr6 n PHE 541 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1qr6 s ARG 542 N -0.46 3.05 0.14 -1.08 3.00 -0.88 -4.86 118.95 117.87 1qr6 s ARG 542 Ca 0.00 -0.11 0.18 0.00 -1.00 0.00 0.00 55.73 54.80 1qr6 s ARG 542 Cb 0.00 -4.41 -0.05 0.00 0.00 0.00 0.00 34.95 30.48 1qr6 s ARG 542 CO 0.00 -2.38 1.00 1.88 0.00 0.00 0.00 175.30 175.81 1qr6 h TYR 543 N 11.39 0.00 -0.05 5.12 -1.99 -1.90 -3.37 116.97 126.17 1qr6 h TYR 543 Ca -0.20 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 59.99 1qr6 h TYR 543 Cb 1.07 0.00 0.08 0.00 2.00 0.00 0.00 36.73 39.89 1qr6 h TYR 543 CO 1.13 0.41 1.55 -2.30 -0.00 0.00 0.00 178.16 178.94 1qr6 n PRO 544 N -2.90 0.67 -1.65 4.88 -0.02 -1.26 -4.79 135.00 129.93 1qr6 n PRO 544 Ca -0.05 -1.49 -0.56 0.00 -2.02 0.00 0.00 63.50 59.38 1qr6 n PRO 544 Cb 0.74 -2.89 -0.07 0.00 -0.02 0.00 0.00 33.50 31.27 1qr6 n PRO 544 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1qr6 n GLU 545 N 7.68 0.99 -2.25 -0.52 2.13 -1.26 -4.95 120.64 122.46 1qr6 n GLU 545 Ca 0.47 0.36 -0.35 0.00 0.66 0.00 0.00 57.16 58.30 1qr6 n GLU 545 Cb 0.42 -2.00 0.00 0.00 0.27 0.00 0.00 31.44 30.13 1qr6 n GLU 545 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1qr6 s PRO 546 N 2.04 3.38 -0.06 5.31 0.04 -1.26 -4.96 135.00 139.49 1qr6 s PRO 546 Ca 0.93 1.64 -0.10 0.00 0.04 0.00 0.00 61.00 63.50 1qr6 s PRO 546 Cb -1.07 -2.04 -0.30 0.00 0.04 0.00 0.00 34.50 31.13 1qr6 s PRO 546 CO 0.59 -0.83 0.60 0.93 0.04 0.00 0.00 177.00 178.33 1qr6 h GLU 547 N 1.27 0.37 -3.59 4.56 5.08 -2.02 -3.40 114.58 116.84 1qr6 h GLU 547 Ca -0.50 -0.63 -0.76 0.00 -1.00 0.00 0.00 59.36 56.47 1qr6 h GLU 547 Cb 1.26 0.24 -0.30 0.00 0.50 0.00 0.00 28.75 30.45 1qr6 h GLU 547 CO 0.57 1.30 0.11 0.34 -1.00 0.00 0.00 179.01 180.34 1qr6 s ASP 548 N -7.25 6.57 0.57 1.42 -1.08 -1.26 -4.91 116.67 110.74 1qr6 s ASP 548 Ca -0.17 -3.24 0.27 0.00 -0.52 0.00 0.00 52.55 48.89 1qr6 s ASP 548 Cb 0.06 -2.10 1.54 0.00 -1.46 0.00 0.00 42.92 40.96 1qr6 s ASP 548 CO 0.84 -0.36 2.03 0.11 0.52 0.00 0.00 175.17 178.30 1qr6 h LYS 549 N 6.92 0.00 0.02 4.34 6.56 -1.95 -1.09 116.57 131.36 1qr6 h LYS 549 Ca 0.13 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.71 1qr6 h LYS 549 Cb 0.92 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.58 1qr6 h LYS 549 CO 0.85 0.00 -0.01 0.00 -2.06 0.00 0.00 179.45 178.24 1qr6 h ALA 550 N 1.70 -0.02 -0.80 3.86 0.00 -1.90 -1.16 119.26 120.93 1qr6 h ALA 550 Ca 0.15 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1qr6 h ALA 550 Cb 0.75 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1qr6 h ALA 550 CO -0.00 -0.30 0.53 -0.22 0.00 0.00 0.00 179.25 179.26 1qr6 h LYS 551 N -0.45 1.05 -0.41 0.00 3.64 -1.72 -1.58 116.57 117.09 1qr6 h LYS 551 Ca -0.00 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1qr6 h LYS 551 Cb 0.43 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1qr6 h LYS 551 CO 0.00 0.69 0.16 -0.92 -2.27 0.00 0.00 179.45 177.12 1qr6 h TYR 552 N 1.08 0.29 0.28 1.91 3.20 -1.08 0.31 116.97 122.96 1qr6 h TYR 552 Ca 0.29 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 1qr6 h TYR 552 Cb -0.12 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.08 1qr6 h TYR 552 CO -0.02 0.13 -0.14 0.28 -1.64 0.00 0.00 178.16 176.77 1qr6 h VAL 553 N 0.34 0.56 -0.56 1.81 2.07 -0.93 -3.19 116.25 116.34 1qr6 h VAL 553 Ca 0.19 -0.83 0.13 0.00 0.82 0.00 0.00 66.70 67.01 1qr6 h VAL 553 Cb 0.15 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1qr6 h VAL 553 CO -0.17 0.13 0.39 0.11 0.02 0.00 0.00 177.57 178.05 1qr6 h LYS 554 N -0.93 0.17 0.00 1.57 1.57 -1.29 0.03 116.57 117.69 1qr6 h LYS 554 Ca -0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1qr6 h LYS 554 Cb 0.50 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1qr6 h LYS 554 CO 0.06 0.11 0.00 0.93 -0.57 0.00 0.00 179.45 179.98 1qr6 h GLU 555 N 0.17 0.00 -0.34 3.15 5.08 -0.95 -3.18 114.58 118.51 1qr6 h GLU 555 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1qr6 h GLU 555 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1qr6 h GLU 555 CO -0.04 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.51 1qr6 n ARG 556 N -2.57 2.75 -2.77 2.33 1.74 -0.01 -5.00 116.66 113.13 1qr6 n ARG 556 Ca 0.02 -2.03 -0.39 0.00 -0.77 0.00 0.00 57.85 54.69 1qr6 n ARG 556 Cb 0.29 -1.28 -0.06 0.00 -1.02 0.00 0.00 32.46 30.39 1qr6 n ARG 556 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1qr6 s THR 557 N -1.00 4.13 0.09 0.55 -4.23 -1.18 -4.92 115.64 109.08 1qr6 s THR 557 Ca 0.24 1.97 -0.30 0.00 -1.18 0.00 0.00 61.69 62.41 1qr6 s THR 557 Cb 0.12 -4.19 -0.06 0.00 1.34 0.00 0.00 72.50 69.72 1qr6 s THR 557 CO 0.16 0.34 1.11 0.86 -0.54 0.00 0.00 174.62 176.56 1qr6 s TRP 558 N -1.37 3.55 0.15 3.99 -0.00 0.18 -5.04 118.94 120.39 1qr6 s TRP 558 Ca 0.45 1.49 0.03 0.00 -0.00 0.00 0.00 56.10 58.07 1qr6 s TRP 558 Cb -0.23 -3.30 -0.04 0.00 -0.00 0.00 0.00 33.47 29.91 1qr6 s TRP 558 CO 0.28 -0.75 0.24 1.03 -0.00 0.00 0.00 176.95 177.75 1qr6 s ARG 559 N 0.57 3.31 0.00 5.86 3.00 -1.26 -4.77 118.95 125.66 1qr6 s ARG 559 Ca 0.54 -0.65 0.27 0.00 0.00 0.00 0.00 55.73 55.89 1qr6 s ARG 559 Cb -0.27 -2.90 0.81 0.00 0.00 0.00 0.00 34.95 32.59 1qr6 s ARG 559 CO 0.31 0.52 1.60 -1.13 0.00 0.00 0.00 175.30 176.60 1qr6 n SER 560 N -0.43 1.17 -4.74 0.23 3.41 -1.26 -4.93 113.62 107.07 1qr6 n SER 560 Ca -0.07 -1.05 -0.41 0.00 -0.26 0.00 0.00 58.87 57.07 1qr6 n SER 560 Cb 0.54 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 1qr6 n SER 560 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qr6 n GLU 561 N -0.43 2.36 -2.29 4.33 4.71 -1.26 -4.69 120.64 123.37 1qr6 n GLU 561 Ca 0.14 0.83 -0.37 0.00 -0.01 0.00 0.00 57.16 57.75 1qr6 n GLU 561 Cb 0.35 -2.53 -0.01 0.00 -1.01 0.00 0.00 31.44 28.24 1qr6 n GLU 561 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1qr6 s TYR 562 N -1.13 2.90 0.26 -0.32 4.12 -1.26 -5.03 117.35 116.88 1qr6 s TYR 562 Ca 0.56 1.55 0.01 0.00 0.02 0.00 0.00 57.07 59.21 1qr6 s TYR 562 Cb -0.50 -3.34 -0.04 0.00 -1.52 0.00 0.00 41.96 36.56 1qr6 s TYR 562 CO 0.62 -1.41 0.43 -0.51 0.02 0.00 0.00 175.55 174.70 1qr6 s ASP 563 N -1.44 6.34 -0.00 2.29 1.01 -1.26 -5.06 116.67 118.55 1qr6 s ASP 563 Ca 0.64 0.31 -0.30 0.00 0.71 0.00 0.00 52.55 53.91 1qr6 s ASP 563 Cb -0.27 -1.97 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 1qr6 s ASP 563 CO 0.33 -0.13 0.98 -0.55 0.21 0.00 0.00 175.17 176.01 1qr6 s SER 564 N -3.68 7.37 0.00 0.27 0.15 -1.26 -4.92 113.70 111.63 1qr6 s SER 564 Ca 0.37 1.66 0.15 0.00 0.70 0.00 0.00 55.95 58.83 1qr6 s SER 564 Cb -0.10 -2.57 0.37 0.00 -1.71 0.00 0.00 66.02 62.02 1qr6 s SER 564 CO 0.31 -0.26 1.29 0.18 1.20 0.00 0.00 173.24 175.96 1qr6 n LEU 565 N 3.91 3.12 -4.66 3.45 4.77 -1.26 -4.98 117.00 121.35 1qr6 n LEU 565 Ca 0.06 -1.84 -0.43 0.00 -0.03 0.00 0.00 56.01 53.78 1qr6 n LEU 565 Cb 0.51 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1qr6 n LEU 565 CO 0.52 0.75 1.03 -0.22 -1.33 0.00 0.00 177.39 178.14 1qr6 s LEU 566 N -1.05 4.13 0.46 2.23 1.98 -1.26 -5.01 118.68 120.17 1qr6 s LEU 566 Ca 0.30 1.55 -0.24 0.00 -2.89 0.00 0.00 54.13 52.85 1qr6 s LEU 566 Cb 0.16 -3.54 -0.07 0.00 0.66 0.00 0.00 46.19 43.40 1qr6 s LEU 566 CO 0.21 -0.75 1.26 -2.16 -1.89 0.00 0.00 176.35 173.03 1qr6 s PRO 567 N 3.43 3.68 -0.38 0.98 0.04 -1.26 -4.92 135.00 136.57 1qr6 s PRO 567 Ca 0.51 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 63.29 1qr6 s PRO 567 Cb -0.19 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1qr6 s PRO 567 CO 0.12 -0.69 1.49 0.34 0.04 0.00 0.00 177.00 178.29 1qr6 s ASP 568 N -1.03 6.28 -0.16 6.66 2.15 -1.26 -5.00 116.67 124.31 1qr6 s ASP 568 Ca 0.63 0.99 -0.02 0.00 0.43 0.00 0.00 52.55 54.58 1qr6 s ASP 568 Cb -0.35 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 39.71 1qr6 s ASP 568 CO 0.43 -1.45 -0.07 -0.69 -0.17 0.00 0.00 175.17 173.22 1qr6 s VAL 569 N 5.61 3.51 0.12 1.11 1.01 -1.26 -5.10 120.40 125.39 1qr6 s VAL 569 Ca 0.65 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 1qr6 s VAL 569 Cb -0.16 -2.53 0.07 0.00 0.00 0.00 0.00 36.38 33.76 1qr6 s VAL 569 CO 0.32 0.49 0.59 -0.72 0.00 0.00 0.00 175.10 175.78 1qr6 s TYR 570 N 0.55 -0.53 0.96 5.22 -0.85 -1.26 -5.17 117.35 116.27 1qr6 s TYR 570 Ca -0.05 0.44 -0.14 0.00 -0.52 0.00 0.00 57.07 56.80 1qr6 s TYR 570 Cb -0.15 0.50 0.17 0.00 0.38 0.00 0.00 41.96 42.86 1qr6 s TYR 570 CO 0.03 -0.79 1.18 -1.21 -1.52 0.00 0.00 175.55 173.25 1qr6 s GLU 571 N -3.24 0.70 -0.35 -3.49 0.41 -1.26 -5.05 118.70 106.43 1qr6 s GLU 571 Ca -0.01 0.04 0.02 0.00 -0.41 0.00 0.00 54.97 54.61 1qr6 s GLU 571 Cb -0.01 -1.81 0.10 0.00 -1.78 0.00 0.00 34.13 30.64 1qr6 s GLU 571 CO -0.08 -2.44 0.09 -1.58 -0.49 0.00 0.00 175.26 170.75 1qr6 s TRP 572 N -3.42 3.02 -0.84 1.61 0.52 -1.26 -5.32 118.94 113.25 1qr6 s TRP 572 Ca 0.67 -2.60 0.00 0.00 0.02 0.00 0.00 56.10 54.19 1qr6 s TRP 572 Cb -0.11 -2.50 0.00 0.00 -1.15 0.00 0.00 33.47 29.71 1qr6 s TRP 572 CO 0.53 -0.91 0.21 -0.35 0.02 0.00 0.00 176.95 176.45