#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qtw s LYS 2 N 0.00 3.16 -0.21 2.12 1.02 -1.26 -0.75 119.74 123.82 1qtw s LYS 2 Ca 0.00 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 55.51 1qtw s LYS 2 Cb 0.00 -2.90 0.03 0.00 -0.52 0.00 0.00 37.83 34.44 1qtw s LYS 2 CO 0.00 0.62 -0.16 0.71 -0.92 0.00 0.00 175.35 175.61 1qtw s TYR 3 N -1.33 2.97 -0.10 3.18 2.02 -1.26 -4.95 117.35 117.89 1qtw s TYR 3 Ca 0.28 -1.86 0.01 0.00 -0.37 0.00 0.00 57.07 55.12 1qtw s TYR 3 Cb -0.12 -1.94 0.02 0.00 -0.40 0.00 0.00 41.96 39.52 1qtw s TYR 3 CO 0.20 -0.82 -0.09 0.42 -1.57 0.00 0.00 175.55 173.68 1qtw s ILE 4 N 1.23 1.08 0.00 2.71 1.01 -1.26 -0.92 121.20 125.05 1qtw s ILE 4 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1qtw s ILE 4 Cb -0.16 -1.05 0.00 0.00 0.01 0.00 0.00 42.46 41.26 1qtw s ILE 4 CO -0.10 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1qtw n GLY 5 N 4.53 3.21 3.26 6.18 0.00 -0.06 -0.39 105.19 121.92 1qtw n GLY 5 Ca -0.17 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 1qtw n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qtw s ALA 6 N -1.00 -0.14 -0.76 4.61 0.00 -1.25 -0.46 121.76 122.76 1qtw s ALA 6 Ca 0.00 -0.72 -0.24 0.00 0.00 0.00 0.00 51.96 51.01 1qtw s ALA 6 Cb 0.00 0.64 0.06 0.00 0.00 0.00 0.00 23.12 23.83 1qtw s ALA 6 CO 0.00 -0.57 1.15 -1.58 0.00 0.00 0.00 175.76 174.77 1qtw s HIS 7 N -3.90 2.56 0.48 0.00 2.46 -0.58 -1.76 115.29 114.56 1qtw s HIS 7 Ca 0.10 -0.50 0.00 0.00 0.47 0.00 0.00 55.06 55.13 1qtw s HIS 7 Cb 0.04 -4.46 0.01 0.00 -0.13 0.00 0.00 32.58 28.04 1qtw s HIS 7 CO -0.07 -1.82 0.71 0.14 -2.47 0.00 0.00 174.74 171.24 1qtw s VAL 8 N 4.62 3.67 0.27 0.89 -7.23 -0.89 -4.95 120.40 116.78 1qtw s VAL 8 Ca 0.31 -0.49 -0.29 0.00 -1.81 0.00 0.00 61.98 59.69 1qtw s VAL 8 Cb -0.10 -3.37 -0.09 0.00 0.56 0.00 0.00 36.38 33.37 1qtw s VAL 8 CO 0.07 -0.27 1.06 -0.55 -0.31 0.00 0.00 175.10 175.10 1qtw s SER 9 N -4.27 7.35 -0.12 4.85 0.15 -1.26 -4.60 113.70 115.80 1qtw s SER 9 Ca 0.51 2.18 0.17 0.00 0.70 0.00 0.00 55.95 59.52 1qtw s SER 9 Cb -0.10 -2.62 0.69 0.00 -1.71 0.00 0.00 66.02 62.28 1qtw s SER 9 CO 0.39 -0.07 1.60 0.00 1.20 0.00 0.00 173.24 176.35 1qtw n ALA 10 N 1.23 3.09 -1.60 5.45 0.00 -1.26 -3.62 120.51 123.79 1qtw n ALA 10 Ca -0.01 -1.66 -0.51 0.00 0.00 0.00 0.00 53.44 51.25 1qtw n ALA 10 Cb 0.45 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.89 1qtw n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qtw n ALA 11 N 0.91 -0.66 -0.98 0.00 0.00 -1.26 -1.56 120.51 116.95 1qtw n ALA 11 Ca 0.25 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.20 1qtw n ALA 11 Cb 0.89 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1qtw n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qtw n GLY 12 N 2.64 0.88 0.00 0.00 0.00 -1.26 -4.78 105.19 102.67 1qtw n GLY 12 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1qtw n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qtw n GLY 13 N -2.13 3.96 0.35 -0.02 0.00 -0.60 -4.84 105.19 101.91 1qtw n GLY 13 Ca 0.00 -1.59 0.04 0.00 0.00 0.00 0.00 46.02 44.47 1qtw n GLY 13 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qtw h LEU 14 N 0.00 0.79 -1.99 0.99 3.38 -1.91 -0.56 115.31 116.01 1qtw h LEU 14 Ca 0.00 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1qtw h LEU 14 Cb 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1qtw h LEU 14 CO 0.00 0.53 0.12 0.00 0.09 0.00 0.00 178.44 179.18 1qtw h ALA 15 N 1.56 2.14 0.00 1.53 0.00 -1.86 -0.50 119.26 122.13 1qtw h ALA 15 Ca 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1qtw h ALA 15 Cb 0.11 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1qtw h ALA 15 CO -0.10 -0.19 -0.07 -0.91 0.00 0.00 0.00 179.25 177.98 1qtw h ASN 16 N 0.01 0.00 -0.56 0.00 2.35 -1.39 -1.95 115.58 114.04 1qtw h ASN 16 Ca 0.08 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1qtw h ASN 16 Cb 0.30 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1qtw h ASN 16 CO -0.00 0.07 0.20 0.00 -1.65 0.00 0.00 177.43 176.05 1qtw h ALA 17 N 1.93 0.73 -0.64 -0.83 0.00 -1.14 0.14 119.26 119.45 1qtw h ALA 17 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1qtw h ALA 17 Cb 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1qtw h ALA 17 CO 0.01 0.37 0.25 0.00 0.00 0.00 0.00 179.25 179.88 1qtw h ALA 18 N 1.06 0.83 -0.55 0.00 0.00 -1.48 -0.56 119.26 118.57 1qtw h ALA 18 Ca 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1qtw h ALA 18 Cb 0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1qtw h ALA 18 CO -0.01 0.45 0.30 0.82 0.00 0.00 0.00 179.25 180.80 1qtw h ILE 19 N 0.89 1.18 -0.72 0.00 2.04 -1.24 -1.37 117.51 118.31 1qtw h ILE 19 Ca 0.21 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 1qtw h ILE 19 Cb 0.21 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1qtw h ILE 19 CO -0.02 0.20 0.22 0.03 0.00 0.00 0.00 178.15 178.58 1qtw h ARG 20 N 0.73 1.12 -0.76 2.37 3.08 -0.78 -1.22 114.38 118.92 1qtw h ARG 20 Ca 0.19 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1qtw h ARG 20 Cb 0.05 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1qtw h ARG 20 CO -0.03 0.96 0.46 0.00 -1.07 0.00 0.00 179.97 180.29 1qtw h ALA 21 N 1.11 0.97 -0.50 0.04 0.00 -0.88 -2.51 119.26 117.48 1qtw h ALA 21 Ca 0.23 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1qtw h ALA 21 Cb 0.31 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1qtw h ALA 21 CO -0.01 0.43 0.06 0.00 0.00 0.00 0.00 179.25 179.73 1qtw h ALA 22 N 1.25 1.15 0.00 0.00 0.00 -0.73 -1.43 119.26 119.50 1qtw h ALA 22 Ca 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1qtw h ALA 22 Cb -0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1qtw h ALA 22 CO -0.05 0.56 -0.07 0.93 0.00 0.00 0.00 179.25 180.62 1qtw h GLU 23 N 0.76 0.00 -0.61 0.00 5.08 -0.80 -1.36 114.58 117.65 1qtw h GLU 23 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1qtw h GLU 23 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1qtw h GLU 23 CO 0.01 0.07 0.00 0.44 -1.00 0.00 0.00 179.01 178.53 1qtw n ILE 24 N -3.32 1.45 -2.62 3.13 -5.35 -0.99 -4.96 119.36 106.71 1qtw n ILE 24 Ca -0.01 -1.14 -0.20 0.00 -0.27 0.00 0.00 62.75 61.13 1qtw n ILE 24 Cb 0.24 0.29 0.01 0.00 -1.74 0.00 0.00 39.64 38.44 1qtw n ILE 24 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1qtw n ASP 25 N 1.12 -5.74 -4.77 7.28 2.03 -0.51 -4.52 116.55 111.45 1qtw n ASP 25 Ca 0.23 -0.12 -0.37 0.00 0.52 0.00 0.00 54.79 55.05 1qtw n ASP 25 Cb 0.73 -4.68 -0.00 0.00 -0.72 0.00 0.00 41.12 36.45 1qtw n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qtw s ALA 26 N -3.05 2.87 -0.64 -1.67 0.00 -0.57 -4.95 121.76 113.75 1qtw s ALA 26 Ca 0.12 0.94 0.11 0.00 0.00 0.00 0.00 51.96 53.13 1qtw s ALA 26 Cb -0.05 -3.39 0.33 0.00 0.00 0.00 0.00 23.12 20.01 1qtw s ALA 26 CO 0.14 -0.76 1.27 0.25 0.00 0.00 0.00 175.76 176.67 1qtw n THR 27 N -0.78 1.33 -3.65 0.00 -2.24 0.47 -4.70 114.28 104.72 1qtw n THR 27 Ca 0.09 -1.24 -0.10 0.00 -2.27 0.00 0.00 64.05 60.52 1qtw n THR 27 Cb 0.49 0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.98 1qtw n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qtw s ALA 28 N -1.48 -0.96 0.17 6.98 0.00 -1.12 -4.24 121.76 121.11 1qtw s ALA 28 Ca 0.26 -0.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.99 1qtw s ALA 28 Cb 0.17 0.75 0.03 0.00 0.00 0.00 0.00 23.12 24.06 1qtw s ALA 28 CO 0.12 -0.68 0.47 -0.59 0.00 0.00 0.00 175.76 175.08 1qtw s PHE 29 N -3.82 -0.13 0.26 0.00 -0.12 -0.74 -3.69 117.98 109.73 1qtw s PHE 29 Ca 0.04 -0.20 0.11 0.00 -0.05 0.00 0.00 56.93 56.83 1qtw s PHE 29 Cb 0.01 0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 42.67 1qtw s PHE 29 CO -0.10 -0.82 -0.19 0.00 -0.05 0.00 0.00 175.22 174.05 1qtw s ALA 30 N -3.85 2.58 0.21 1.99 0.00 -0.72 -1.19 121.76 120.78 1qtw s ALA 30 Ca 0.07 -1.81 -0.22 0.00 0.00 0.00 0.00 51.96 50.00 1qtw s ALA 30 Cb 0.00 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 22.94 1qtw s ALA 30 CO -0.06 0.25 0.65 -0.48 0.00 0.00 0.00 175.76 176.12 1qtw s LEU 31 N -3.39 -0.43 0.00 0.00 2.34 -1.26 -2.10 118.68 113.84 1qtw s LEU 31 Ca 0.28 -0.26 -0.14 0.00 0.06 0.00 0.00 54.13 54.07 1qtw s LEU 31 Cb -0.04 2.65 -0.06 0.00 -0.56 0.00 0.00 46.19 48.18 1qtw s LEU 31 CO 0.13 -1.13 0.39 -0.36 -1.06 0.00 0.00 176.35 174.32 1qtw s PHE 32 N -3.82 3.71 -2.13 3.48 0.40 -1.26 -1.29 117.98 117.07 1qtw s PHE 32 Ca 0.05 0.94 0.27 0.00 -0.60 0.00 0.00 56.93 57.59 1qtw s PHE 32 Cb -0.03 -2.25 0.81 0.00 0.51 0.00 0.00 43.02 42.06 1qtw s PHE 32 CO -0.04 0.64 1.60 0.25 0.70 0.00 0.00 175.22 178.37 1qtw n THR 33 N 1.73 0.00 -3.63 0.64 -2.24 -1.26 -4.83 114.28 104.69 1qtw n THR 33 Ca -0.14 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.34 1qtw n THR 33 Cb 0.53 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 69.26 1qtw n THR 33 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1qtw s LYS 34 N -2.27 1.41 0.56 -0.78 -2.85 -1.26 -5.03 119.74 109.52 1qtw s LYS 34 Ca 0.30 -0.73 -0.21 0.00 -1.00 0.00 0.00 55.97 54.33 1qtw s LYS 34 Cb 0.20 0.56 -0.04 0.00 -2.06 0.00 0.00 37.83 36.49 1qtw s LYS 34 CO 0.44 -0.62 1.32 0.27 0.10 0.00 0.00 175.35 176.86 1qtw n ASN 35 N -0.38 2.48 0.18 0.03 0.23 -1.26 -4.92 115.26 111.63 1qtw n ASN 35 Ca -0.12 0.95 0.07 0.00 -0.53 0.00 0.00 54.58 54.95 1qtw n ASN 35 Cb 0.63 -1.56 0.17 0.00 -2.08 0.00 0.00 39.78 36.94 1qtw n ASN 35 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1qtw h GLN 36 N 1.26 0.00 0.08 -3.83 4.20 -2.00 -3.34 115.11 111.48 1qtw h GLN 36 Ca -0.51 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 57.95 1qtw h GLN 36 Cb 1.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 1qtw h GLN 36 CO 0.56 0.30 -1.19 0.00 -0.67 0.00 0.00 178.83 177.84 1qtw h ARG 37 N 0.00 0.17 -6.56 1.46 3.08 -2.01 -3.44 114.38 107.08 1qtw h ARG 37 Ca -0.00 -0.29 -0.53 0.00 0.07 0.00 0.00 59.98 59.23 1qtw h ARG 37 Cb 1.13 0.11 0.01 0.00 0.08 0.00 0.00 29.97 31.30 1qtw h ARG 37 CO 0.04 1.12 0.59 -1.14 -1.07 0.00 0.00 179.97 179.51 1qtw s GLN 38 N -2.67 4.44 0.07 0.04 0.74 -1.25 -4.92 119.66 116.10 1qtw s GLN 38 Ca -0.03 1.86 -0.25 0.00 0.05 0.00 0.00 55.36 57.00 1qtw s GLN 38 Cb 0.08 -3.29 -0.16 0.00 1.10 0.00 0.00 33.01 30.74 1qtw s GLN 38 CO 0.86 -0.22 1.63 2.35 -0.55 0.00 0.00 175.29 179.35 1qtw h TRP 39 N 6.24 -0.10 -3.40 1.67 7.01 -1.93 -3.40 115.95 122.05 1qtw h TRP 39 Ca -0.43 -0.00 -0.56 0.00 2.11 0.00 0.00 58.89 60.02 1qtw h TRP 39 Cb 1.21 0.03 -0.39 0.00 -2.10 0.00 0.00 29.16 27.91 1qtw h TRP 39 CO 0.65 0.03 -0.77 1.03 -2.79 0.00 0.00 178.44 176.59 1qtw s ARG 40 N -5.78 1.01 0.38 2.65 0.52 -1.26 -4.71 118.95 111.75 1qtw s ARG 40 Ca -0.14 -0.68 -0.27 0.00 -0.52 0.00 0.00 55.73 54.12 1qtw s ARG 40 Cb 0.05 -2.28 -0.11 0.00 0.52 0.00 0.00 34.95 33.12 1qtw s ARG 40 CO 0.65 -0.65 1.35 0.00 0.02 0.00 0.00 175.30 176.68 1qtw n ALA 41 N 4.90 1.67 -1.75 2.13 0.00 -1.26 -5.02 120.51 121.16 1qtw n ALA 41 Ca -0.10 0.33 -0.39 0.00 0.00 0.00 0.00 53.44 53.29 1qtw n ALA 41 Cb 0.46 -2.31 0.03 0.00 0.00 0.00 0.00 19.45 17.62 1qtw n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qtw s ALA 42 N -1.13 2.95 0.53 0.00 0.00 -1.26 -4.89 121.76 117.95 1qtw s ALA 42 Ca 0.56 1.37 -0.23 0.00 0.00 0.00 0.00 51.96 53.66 1qtw s ALA 42 Cb -0.52 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 18.97 1qtw s ALA 42 CO 0.62 -1.31 1.38 -2.30 0.00 0.00 0.00 175.76 174.15 1qtw n PRO 43 N -0.77 1.82 -1.72 0.00 -0.02 -1.26 -4.91 135.00 128.14 1qtw n PRO 43 Ca 0.09 0.67 -0.43 0.00 -2.02 0.00 0.00 63.50 61.81 1qtw n PRO 43 Cb 0.44 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 31.31 1qtw n PRO 43 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1qtw n LEU 44 N -0.83 3.95 -4.91 2.45 4.77 -1.26 -5.00 117.00 116.17 1qtw n LEU 44 Ca 0.09 1.15 -0.27 0.00 -0.03 0.00 0.00 56.01 56.95 1qtw n LEU 44 Cb 0.44 -1.54 -0.01 0.00 -2.33 0.00 0.00 43.42 39.99 1qtw n LEU 44 CO 0.55 -0.08 0.39 0.42 -1.33 0.00 0.00 177.39 177.34 1qtw s THR 45 N -0.14 4.94 0.42 -5.08 -4.23 -1.26 -4.97 115.64 105.32 1qtw s THR 45 Ca 0.64 0.11 0.10 0.00 -1.18 0.00 0.00 61.69 61.37 1qtw s THR 45 Cb -0.55 -3.85 0.21 0.00 1.34 0.00 0.00 72.50 69.65 1qtw s THR 45 CO 0.50 -0.77 1.99 0.71 -0.54 0.00 0.00 174.62 176.52 1qtw h THR 46 N 0.39 1.13 -0.11 3.99 1.35 -1.99 -1.31 112.91 116.35 1qtw h THR 46 Ca -0.47 -0.49 -0.02 0.00 -0.55 0.00 0.00 66.41 64.88 1qtw h THR 46 Cb 1.21 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1qtw h THR 46 CO 0.62 0.16 0.01 1.56 -0.25 0.00 0.00 175.52 177.62 1qtw h GLN 47 N 0.26 0.18 -0.56 4.72 7.50 -1.99 -1.06 115.11 124.17 1qtw h GLN 47 Ca 0.06 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 59.14 1qtw h GLN 47 Cb 0.20 -0.02 -0.03 0.00 0.05 0.00 0.00 27.48 27.68 1qtw h GLN 47 CO 0.00 0.42 0.28 1.15 -1.50 0.00 0.00 178.83 179.18 1qtw h THR 48 N -0.07 1.20 -0.32 -0.54 2.02 -1.83 -1.22 112.91 112.15 1qtw h THR 48 Ca 0.03 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 1qtw h THR 48 Cb 0.33 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1qtw h THR 48 CO 0.00 0.22 0.20 0.40 0.37 0.00 0.00 175.52 176.71 1qtw h ILE 49 N 0.75 1.11 -0.60 3.11 2.04 -1.15 -0.97 117.51 121.79 1qtw h ILE 49 Ca 0.19 -0.24 -0.10 0.00 1.00 0.00 0.00 64.86 65.72 1qtw h ILE 49 Cb 0.10 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1qtw h ILE 49 CO -0.03 0.10 -0.01 -0.78 0.00 0.00 0.00 178.15 177.44 1qtw h ASP 50 N 0.41 1.04 -0.72 1.72 1.82 -1.03 -1.02 116.42 118.65 1qtw h ASP 50 Ca 0.11 -0.30 -0.05 0.00 -0.39 0.00 0.00 57.03 56.40 1qtw h ASP 50 Cb -0.00 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 39.70 1qtw h ASP 50 CO -0.02 1.10 0.26 -0.33 -1.61 0.00 0.00 179.24 178.63 1qtw h GLU 51 N 0.97 1.11 -0.00 0.28 5.08 -1.06 0.22 114.58 121.18 1qtw h GLU 51 Ca 0.17 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1qtw h GLU 51 Cb 0.57 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1qtw h GLU 51 CO 0.03 0.92 0.00 0.35 -1.00 0.00 0.00 179.01 179.32 1qtw h PHE 52 N 1.08 0.00 -0.77 4.33 3.57 -0.91 -1.69 116.94 122.55 1qtw h PHE 52 Ca 0.24 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 1qtw h PHE 52 Cb 0.26 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1qtw h PHE 52 CO 0.02 0.15 0.28 0.87 -2.23 0.00 0.00 178.31 177.40 1qtw h LYS 53 N -0.15 1.17 -0.68 1.11 1.57 -1.04 -1.09 116.57 117.47 1qtw h LYS 53 Ca 0.00 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 1qtw h LYS 53 Cb 0.15 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1qtw h LYS 53 CO -0.00 0.97 0.32 0.00 -0.57 0.00 0.00 179.45 180.17 1qtw h ALA 54 N 1.16 0.87 -0.45 3.86 0.00 -0.87 -0.67 119.26 123.16 1qtw h ALA 54 Ca 0.25 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1qtw h ALA 54 Cb 0.26 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1qtw h ALA 54 CO -0.02 0.45 -0.26 0.00 0.00 0.00 0.00 179.25 179.41 1qtw h ALA 55 N 1.15 0.64 -0.66 0.00 0.00 -0.95 -0.54 119.26 118.90 1qtw h ALA 55 Ca 0.23 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1qtw h ALA 55 Cb 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1qtw h ALA 55 CO -0.03 0.67 0.29 0.00 0.00 0.00 0.00 179.25 180.18 1qtw h GLU 57 N 0.93 0.71 -0.88 0.00 5.08 -0.93 -0.13 114.58 119.35 1qtw h GLU 57 Ca 0.22 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1qtw h GLU 57 Cb 0.17 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1qtw h GLU 57 CO -0.02 1.00 0.55 -0.22 -1.00 0.00 0.00 179.01 179.31 1qtw h LYS 58 N 0.58 1.19 -0.50 2.33 3.64 -0.76 -2.99 116.57 120.06 1qtw h LYS 58 Ca 0.04 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1qtw h LYS 58 Cb 0.97 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1qtw h LYS 58 CO 0.09 0.82 0.00 0.66 -2.27 0.00 0.00 179.45 178.75 1qtw n TYR 59 N -4.37 1.02 -3.23 1.91 4.01 -0.83 -4.98 117.16 110.68 1qtw n TYR 59 Ca 0.10 -0.61 -0.16 0.00 -0.16 0.00 0.00 57.90 57.07 1qtw n TYR 59 Cb 0.05 -0.16 0.06 0.00 -0.31 0.00 0.00 39.34 38.98 1qtw n TYR 59 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1qtw n HIS 60 N 0.72 -1.97 -3.63 -0.72 8.25 -0.59 -5.00 115.22 112.28 1qtw n HIS 60 Ca 0.20 0.75 -0.40 0.00 -0.26 0.00 0.00 57.72 58.02 1qtw n HIS 60 Cb 0.72 -4.20 -0.11 0.00 1.12 0.00 0.00 29.99 27.52 1qtw n HIS 60 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1qtw s TYR 61 N -3.26 3.28 0.71 4.41 2.02 -0.16 -5.04 117.35 119.30 1qtw s TYR 61 Ca 0.25 -1.24 -0.08 0.00 -0.37 0.00 0.00 57.07 55.63 1qtw s TYR 61 Cb -0.11 -2.58 0.05 0.00 -0.40 0.00 0.00 41.96 38.92 1qtw s TYR 61 CO 0.56 -0.73 1.04 0.95 -1.57 0.00 0.00 175.55 175.79 1qtw s THR 62 N 1.48 2.57 0.48 -0.71 -4.23 -1.26 -4.52 115.64 109.45 1qtw s THR 62 Ca 0.01 -0.09 0.15 0.00 -1.18 0.00 0.00 61.69 60.59 1qtw s THR 62 Cb -0.21 -3.12 0.31 0.00 1.34 0.00 0.00 72.50 70.82 1qtw s THR 62 CO 0.04 -0.14 2.05 -1.28 -0.54 0.00 0.00 174.62 174.75 1qtw h SER 63 N -0.63 0.20 0.47 3.99 0.87 -1.95 -0.41 113.55 116.09 1qtw h SER 63 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1qtw h SER 63 Cb 1.30 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1qtw h SER 63 CO 0.62 0.13 0.00 0.00 -0.53 0.00 0.00 176.83 177.05 1qtw n ALA 64 N -2.54 1.46 0.45 6.23 0.00 -1.26 -2.58 120.51 122.26 1qtw n ALA 64 Ca 0.04 0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.67 1qtw n ALA 64 Cb 0.27 -1.32 0.13 0.00 0.00 0.00 0.00 19.45 18.53 1qtw n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1qtw n GLN 65 N -2.09 1.92 -4.78 0.00 6.02 -0.16 -4.09 117.38 114.19 1qtw n GLN 65 Ca 0.01 -1.84 -0.29 0.00 -0.01 0.00 0.00 57.00 54.88 1qtw n GLN 65 Cb 0.16 -1.38 -0.17 0.00 1.02 0.00 0.00 30.24 29.87 1qtw n GLN 65 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1qtw s ILE 66 N -1.37 1.62 -0.63 5.09 1.01 -1.07 -1.80 121.20 124.06 1qtw s ILE 66 Ca 0.26 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 60.21 1qtw s ILE 66 Cb 0.17 -1.44 0.17 0.00 0.01 0.00 0.00 42.46 41.36 1qtw s ILE 66 CO 0.24 0.46 0.46 -0.11 0.00 0.00 0.00 174.94 176.00 1qtw n LEU 67 N 3.83 2.13 -4.73 2.97 7.94 -0.33 -4.60 117.00 124.20 1qtw n LEU 67 Ca -0.20 -5.00 -0.37 0.00 -1.11 0.00 0.00 56.01 49.33 1qtw n LEU 67 Cb 0.52 -0.41 0.06 0.00 0.53 0.00 0.00 43.42 44.12 1qtw n LEU 67 CO 0.26 1.79 0.89 -2.16 -1.11 0.00 0.00 177.39 177.06 1qtw s PRO 68 N -1.11 2.61 -0.10 1.96 0.04 -1.26 -3.99 135.00 133.15 1qtw s PRO 68 Ca 0.27 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.32 1qtw s PRO 68 Cb -0.01 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1qtw s PRO 68 CO -0.17 -1.54 -0.07 -1.58 0.04 0.00 0.00 177.00 173.68 1qtw s HIS 69 N -1.45 2.95 0.96 0.56 2.46 -0.41 -0.65 115.29 119.71 1qtw s HIS 69 Ca 0.82 -0.15 -0.15 0.00 0.47 0.00 0.00 55.06 56.05 1qtw s HIS 69 Cb -0.36 -1.80 0.17 0.00 -0.13 0.00 0.00 32.58 30.46 1qtw s HIS 69 CO 0.39 0.16 1.20 0.16 -2.47 0.00 0.00 174.74 174.18 1qtw s ASP 70 N -0.34 3.13 0.42 9.88 -4.77 -0.17 -4.48 116.67 120.33 1qtw s ASP 70 Ca 0.05 0.66 -0.25 0.00 -3.30 0.00 0.00 52.55 49.71 1qtw s ASP 70 Cb -0.12 -1.01 -0.08 0.00 -1.09 0.00 0.00 42.92 40.62 1qtw s ASP 70 CO 0.02 -2.76 1.27 -0.55 0.70 0.00 0.00 175.17 173.85 1qtw s SER 71 N -4.36 6.26 0.52 2.11 0.15 -1.26 -4.93 113.70 112.18 1qtw s SER 71 Ca 0.68 2.57 0.30 0.00 0.70 0.00 0.00 55.95 60.20 1qtw s SER 71 Cb -0.10 -2.63 1.33 0.00 -1.71 0.00 0.00 66.02 62.91 1qtw s SER 71 CO 0.53 -0.88 1.98 0.10 1.20 0.00 0.00 173.24 176.17 1qtw h TYR 72 N 2.52 0.00 0.00 3.44 -0.00 -1.96 -2.79 116.97 118.18 1qtw h TYR 72 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.24 1qtw h TYR 72 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.98 1qtw h TYR 72 CO 0.53 0.10 0.00 -0.07 -0.00 0.00 0.00 178.16 178.72 1qtw h LEU 73 N 0.00 0.00 -9.44 0.10 3.38 -1.92 -3.44 115.31 103.98 1qtw h LEU 73 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1qtw h LEU 73 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1qtw h LEU 73 CO 0.01 0.00 0.64 -0.63 0.09 0.00 0.00 178.44 178.56 1qtw s ILE 74 N -3.30 3.94 -0.34 1.22 1.01 -1.06 -4.99 121.20 117.67 1qtw s ILE 74 Ca 0.06 1.37 0.01 0.00 0.00 0.00 0.00 60.65 62.09 1qtw s ILE 74 Cb 0.09 -3.88 0.11 0.00 0.01 0.00 0.00 42.46 38.79 1qtw s ILE 74 CO 0.56 0.07 0.11 0.21 0.00 0.00 0.00 174.94 175.89 1qtw s ASN 75 N 1.25 4.24 0.00 3.58 3.84 -1.26 -4.86 114.94 121.73 1qtw s ASN 75 Ca 0.60 -1.99 0.26 0.00 0.21 0.00 0.00 52.86 51.93 1qtw s ASN 75 Cb -0.30 -1.17 1.46 0.00 -0.55 0.00 0.00 41.25 40.69 1qtw s ASN 75 CO 0.28 -0.38 1.89 0.18 -2.79 0.00 0.00 177.10 176.28 1qtw n LEU 76 N 4.42 0.00 -0.39 3.21 4.77 -1.23 -2.57 117.00 125.21 1qtw n LEU 76 Ca 0.02 0.10 0.08 0.00 -0.03 0.00 0.00 56.01 56.18 1qtw n LEU 76 Cb 0.41 -0.10 0.17 0.00 -2.33 0.00 0.00 43.42 41.56 1qtw n LEU 76 CO 0.17 -0.02 0.61 0.61 -1.33 0.00 0.00 177.39 177.44 1qtw n GLY 77 N 0.72 4.25 3.69 -0.72 0.00 -1.26 -2.97 105.19 108.90 1qtw n GLY 77 Ca 0.17 -0.93 -0.45 0.00 0.00 0.00 0.00 46.02 44.81 1qtw n GLY 77 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1qtw n HIS 78 N -0.88 2.39 0.22 1.61 -0.00 -1.06 -4.64 115.22 112.85 1qtw n HIS 78 Ca 0.16 0.28 0.09 0.00 0.46 0.00 0.00 57.72 58.71 1qtw n HIS 78 Cb 0.67 -2.55 0.46 0.00 -0.12 0.00 0.00 29.99 28.45 1qtw n HIS 78 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1qtw h PRO 79 N 5.44 0.00 -6.44 1.57 0.13 -1.82 -3.41 132.00 127.47 1qtw h PRO 79 Ca -0.45 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.11 1qtw h PRO 79 Cb 1.25 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.29 1qtw h PRO 79 CO 0.85 0.25 0.82 0.08 -0.23 0.00 0.00 178.00 179.76 1qtw s VAL 80 N -3.69 4.23 0.33 1.56 1.01 -1.26 -4.94 120.40 117.64 1qtw s VAL 80 Ca 0.00 0.89 0.02 0.00 0.00 0.00 0.00 61.98 62.89 1qtw s VAL 80 Cb 0.11 -4.60 0.21 0.00 0.00 0.00 0.00 36.38 32.10 1qtw s VAL 80 CO 0.64 -1.09 1.94 0.74 0.00 0.00 0.00 175.10 177.33 1qtw h THR 81 N 6.15 1.18 -0.58 3.92 2.02 -1.99 0.88 112.91 124.49 1qtw h THR 81 Ca -0.24 -0.53 -0.07 0.00 0.77 0.00 0.00 66.41 66.34 1qtw h THR 81 Cb 1.06 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1qtw h THR 81 CO 1.12 0.22 0.09 1.05 0.37 0.00 0.00 175.52 178.36 1qtw h GLU 82 N 0.76 0.94 -0.36 6.66 4.11 -1.94 -0.85 114.58 123.89 1qtw h GLU 82 Ca 0.19 -0.23 -0.14 0.00 0.07 0.00 0.00 59.36 59.24 1qtw h GLU 82 Cb 0.09 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1qtw h GLU 82 CO -0.02 0.88 -0.34 0.00 0.07 0.00 0.00 179.01 179.59 1qtw h ALA 83 N 1.20 0.71 -0.57 1.06 0.00 -1.59 -2.75 119.26 117.33 1qtw h ALA 83 Ca 0.18 -0.43 0.10 0.00 0.00 0.00 0.00 54.91 54.76 1qtw h ALA 83 Cb 0.40 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1qtw h ALA 83 CO 0.01 0.66 0.14 1.25 0.00 0.00 0.00 179.25 181.31 1qtw h LEU 84 N 0.69 0.05 -0.84 0.00 5.85 -0.50 -1.09 115.31 119.48 1qtw h LEU 84 Ca 0.07 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1qtw h LEU 84 Cb 0.89 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1qtw h LEU 84 CO 0.08 0.04 0.05 -0.33 -0.34 0.00 0.00 178.44 177.95 1qtw h GLU 85 N 0.28 0.92 -0.58 1.25 4.39 -1.04 0.15 114.58 119.95 1qtw h GLU 85 Ca 0.30 -0.24 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 1qtw h GLU 85 Cb 0.41 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1qtw h GLU 85 CO -0.36 0.88 0.07 0.87 -1.16 0.00 0.00 179.01 179.31 1qtw h LYS 86 N 0.87 0.96 -0.68 2.33 1.57 -1.17 0.56 116.57 121.00 1qtw h LYS 86 Ca 0.17 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1qtw h LYS 86 Cb 0.43 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1qtw h LYS 86 CO 0.02 0.90 0.11 0.77 -0.57 0.00 0.00 179.45 180.67 1qtw h SER 87 N 0.90 1.08 -0.76 0.86 0.02 -0.70 -1.46 113.55 113.49 1qtw h SER 87 Ca 0.18 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.81 1qtw h SER 87 Cb 0.43 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1qtw h SER 87 CO 0.01 1.07 0.26 0.03 -1.14 0.00 0.00 176.83 177.06 1qtw h ARG 88 N 1.05 1.16 -0.38 3.45 3.08 -0.40 -0.08 114.38 122.27 1qtw h ARG 88 Ca 0.21 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1qtw h ARG 88 Cb 0.45 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1qtw h ARG 88 CO 0.01 0.97 0.23 -0.44 -1.07 0.00 0.00 179.97 179.68 1qtw h ASP 89 N 1.12 0.46 -0.71 7.04 3.45 -0.60 0.39 116.42 127.57 1qtw h ASP 89 Ca 0.25 -0.05 -0.05 0.00 0.43 0.00 0.00 57.03 57.61 1qtw h ASP 89 Cb 0.28 -0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 38.90 1qtw h ASP 89 CO -0.01 0.38 0.27 0.00 -1.57 0.00 0.00 179.24 178.31 1qtw h ALA 90 N 1.10 1.11 -0.29 3.45 0.00 -0.98 -1.68 119.26 121.98 1qtw h ALA 90 Ca 0.14 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1qtw h ALA 90 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1qtw h ALA 90 CO -0.03 0.63 -0.19 0.35 0.00 0.00 0.00 179.25 180.02 1qtw h PHE 91 N 1.06 0.74 -0.56 0.00 3.57 -0.67 -0.05 116.94 121.03 1qtw h PHE 91 Ca 0.24 -0.20 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1qtw h PHE 91 Cb 0.23 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 1qtw h PHE 91 CO 0.02 0.89 0.30 0.82 -2.23 0.00 0.00 178.31 178.11 1qtw h ILE 92 N 0.37 0.98 -0.51 1.41 2.04 -0.83 -0.37 117.51 120.61 1qtw h ILE 92 Ca 0.06 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.77 1qtw h ILE 92 Cb 0.72 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 1qtw h ILE 92 CO 0.05 0.11 0.25 -0.78 0.00 0.00 0.00 178.15 177.77 1qtw h ASP 93 N 0.58 0.35 -0.63 1.72 1.82 -1.02 0.18 116.42 119.42 1qtw h ASP 93 Ca 0.24 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.90 1qtw h ASP 93 Cb 0.13 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.08 1qtw h ASP 93 CO -0.15 0.24 0.33 -0.33 -1.61 0.00 0.00 179.24 177.71 1qtw h GLU 94 N 0.48 0.88 -0.67 0.28 4.39 -0.45 -0.23 114.58 119.28 1qtw h GLU 94 Ca 0.23 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 1qtw h GLU 94 Cb 0.15 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1qtw h GLU 94 CO -0.17 0.68 0.15 0.52 -1.16 0.00 0.00 179.01 179.04 1qtw h MET 95 N 0.85 1.06 -0.76 2.33 2.86 -0.65 -1.74 114.93 118.88 1qtw h MET 95 Ca 0.22 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1qtw h MET 95 Cb 0.07 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 1qtw h MET 95 CO -0.03 0.94 0.29 1.96 1.06 0.00 0.00 176.91 181.13 1qtw h GLN 96 N 1.01 1.15 -0.68 1.72 4.20 -0.56 -1.20 115.11 120.74 1qtw h GLN 96 Ca 0.21 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.71 1qtw h GLN 96 Cb 0.36 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1qtw h GLN 96 CO 0.00 0.94 0.45 0.00 -0.67 0.00 0.00 178.83 179.54 1qtw h ARG 97 N 1.12 0.89 -0.49 1.46 3.08 -0.79 -1.08 114.38 118.56 1qtw h ARG 97 Ca 0.25 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.27 1qtw h ARG 97 Cb 0.23 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1qtw h ARG 97 CO -0.02 0.59 0.30 0.00 -1.07 0.00 0.00 179.97 179.77 1qtw h GLU 99 N 0.60 0.52 -0.05 0.00 4.81 -0.86 -0.20 114.58 119.40 1qtw h GLU 99 Ca 0.19 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1qtw h GLU 99 Cb 0.00 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1qtw h GLU 99 CO -0.08 0.35 -0.08 1.96 -0.73 0.00 0.00 179.01 180.43 1qtw h GLN 100 N 0.54 0.07 -0.01 1.92 4.20 -0.87 -2.42 115.11 118.55 1qtw h GLN 100 Ca 0.19 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1qtw h GLN 100 Cb 0.04 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1qtw h GLN 100 CO -0.10 0.15 -0.08 1.28 -0.67 0.00 0.00 178.83 179.42 1qtw n LEU 101 N -4.41 0.81 0.00 1.46 4.77 -0.60 -4.92 117.00 114.11 1qtw n LEU 101 Ca -0.02 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1qtw n LEU 101 Cb 0.18 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1qtw n LEU 101 CO 0.36 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1qtw n GLY 102 N 1.20 0.47 3.89 -0.72 0.00 -0.91 -4.80 105.19 104.33 1qtw n GLY 102 Ca 0.17 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 1qtw n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qtw s LEU 103 N 0.00 4.10 0.00 0.99 1.43 -0.14 -4.61 118.68 120.44 1qtw s LEU 103 Ca 0.00 0.78 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 1qtw s LEU 103 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1qtw s LEU 103 CO 0.00 -0.15 0.33 -1.54 0.23 0.00 0.00 176.35 175.22 1qtw n SER 104 N -0.65 0.67 -4.02 2.29 3.41 -1.26 -4.19 113.62 109.86 1qtw n SER 104 Ca -0.01 -0.95 -0.14 0.00 -0.26 0.00 0.00 58.87 57.51 1qtw n SER 104 Cb 0.53 0.06 -0.13 0.00 -0.26 0.00 0.00 64.21 64.42 1qtw n SER 104 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1qtw s LEU 105 N -0.12 2.16 -0.11 1.04 1.43 -1.26 -0.84 118.68 120.98 1qtw s LEU 105 Ca 0.00 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1qtw s LEU 105 Cb 0.00 -0.21 0.05 0.00 0.03 0.00 0.00 46.19 46.06 1qtw s LEU 105 CO 0.00 -0.10 0.14 -0.22 0.23 0.00 0.00 176.35 176.40 1qtw s LEU 106 N -1.03 0.04 -0.04 1.79 2.96 -0.40 -4.21 118.68 117.78 1qtw s LEU 106 Ca -0.05 0.03 -0.19 0.00 -0.22 0.00 0.00 54.13 53.69 1qtw s LEU 106 Cb -0.07 0.12 -0.05 0.00 0.50 0.00 0.00 46.19 46.69 1qtw s LEU 106 CO 0.00 -0.28 0.54 0.21 -1.32 0.00 0.00 176.35 175.51 1qtw s ASN 107 N 2.25 6.87 -0.02 3.68 2.47 0.17 -0.60 114.94 129.77 1qtw s ASN 107 Ca 0.04 1.03 -0.15 0.00 0.42 0.00 0.00 52.86 54.21 1qtw s ASN 107 Cb -0.13 -2.33 0.02 0.00 -1.45 0.00 0.00 41.25 37.36 1qtw s ASN 107 CO -0.07 0.08 0.31 0.72 -3.72 0.00 0.00 177.10 174.42 1qtw s PHE 108 N 0.01 -0.18 0.28 0.43 -0.12 -0.41 -1.00 117.98 116.99 1qtw s PHE 108 Ca 0.29 0.27 -0.29 0.00 -0.05 0.00 0.00 56.93 57.15 1qtw s PHE 108 Cb -0.17 0.09 -0.09 0.00 -0.63 0.00 0.00 43.02 42.22 1qtw s PHE 108 CO 0.15 -0.38 0.99 -1.01 -0.05 0.00 0.00 175.22 174.92 1qtw s HIS 109 N -1.30 3.78 0.07 3.49 3.76 -1.26 -0.78 115.29 123.05 1qtw s HIS 109 Ca -0.13 1.82 -0.21 0.00 -0.15 0.00 0.00 55.06 56.39 1qtw s HIS 109 Cb -0.05 -3.07 -0.11 0.00 1.11 0.00 0.00 32.58 30.46 1qtw s HIS 109 CO 0.04 0.06 1.53 -1.00 -0.85 0.00 0.00 174.74 174.53 1qtw h PRO 110 N 3.79 0.28 0.00 8.40 0.13 -1.80 -3.45 132.00 139.34 1qtw h PRO 110 Ca -0.46 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1qtw h PRO 110 Cb 1.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1qtw h PRO 110 CO 0.67 0.46 0.00 0.41 -0.23 0.00 0.00 178.00 179.31 1qtw n GLY 111 N -0.41 -0.27 3.04 1.56 0.00 -1.26 -3.56 105.19 104.29 1qtw n GLY 111 Ca -0.05 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 1qtw n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qtw s SER 112 N 0.00 -0.10 0.00 1.61 0.01 -1.26 -1.01 113.70 112.95 1qtw s SER 112 Ca 0.00 0.16 0.24 0.00 1.31 0.00 0.00 55.95 57.65 1qtw s SER 112 Cb 0.00 0.27 0.28 0.00 0.21 0.00 0.00 66.02 66.78 1qtw s SER 112 CO 0.00 -0.13 1.25 0.00 0.41 0.00 0.00 173.24 174.78 1qtw n HIS 113 N 2.61 0.00 -2.43 2.43 1.44 -0.99 -4.22 115.22 114.05 1qtw n HIS 113 Ca -0.15 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.42 1qtw n HIS 113 Cb 0.58 -0.13 -0.01 0.00 0.12 0.00 0.00 29.99 30.55 1qtw n HIS 113 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1qtw n LEU 114 N -1.22 -1.27 -2.02 2.39 4.77 -1.26 -1.12 117.00 117.27 1qtw n LEU 114 Ca 0.07 0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 56.08 1qtw n LEU 114 Cb 0.35 -2.27 -0.02 0.00 -2.33 0.00 0.00 43.42 39.14 1qtw n LEU 114 CO 0.35 -0.14 -0.14 0.23 -1.33 0.00 0.00 177.39 176.35 1qtw n MET 115 N -2.84 -1.85 -0.00 3.23 2.81 -1.26 -4.85 117.12 112.36 1qtw n MET 115 Ca -0.16 0.66 0.05 0.00 -1.81 0.00 0.00 57.70 56.43 1qtw n MET 115 Cb 0.62 -5.12 -0.07 0.00 -0.71 0.00 0.00 33.22 27.95 1qtw n MET 115 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1qtw n GLN 116 N -2.43 1.65 -4.11 0.03 6.02 -0.27 -5.03 117.38 113.24 1qtw n GLN 116 Ca -0.14 -0.05 -0.08 0.00 -0.01 0.00 0.00 57.00 56.72 1qtw n GLN 116 Cb 0.54 -1.12 -0.10 0.00 1.02 0.00 0.00 30.24 30.58 1qtw n GLN 116 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1qtw s ILE 117 N -2.37 0.18 0.79 5.09 -4.36 -1.22 -5.06 121.20 114.25 1qtw s ILE 117 Ca -0.01 -1.84 -0.11 0.00 -0.26 0.00 0.00 60.65 58.43 1qtw s ILE 117 Cb 0.06 -1.71 0.07 0.00 1.25 0.00 0.00 42.46 42.13 1qtw s ILE 117 CO 0.39 -0.80 1.09 -0.94 0.24 0.00 0.00 174.94 174.92 1qtw s SER 118 N -2.97 4.35 0.21 4.36 1.04 -1.26 -4.85 113.70 114.59 1qtw s SER 118 Ca 0.13 1.72 -0.09 0.00 0.48 0.00 0.00 55.95 58.19 1qtw s SER 118 Cb 0.08 -2.43 0.20 0.00 0.10 0.00 0.00 66.02 63.96 1qtw s SER 118 CO -0.06 -2.11 1.87 -0.33 0.98 0.00 0.00 173.24 173.58 1qtw h GLU 119 N -1.18 0.93 -0.52 4.02 5.08 -1.99 -1.53 114.58 119.39 1qtw h GLU 119 Ca -0.45 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1qtw h GLU 119 Cb 1.24 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1qtw h GLU 119 CO 0.53 0.62 0.33 1.49 -1.00 0.00 0.00 179.01 180.98 1qtw h GLU 120 N 0.96 0.65 -0.45 2.33 4.81 -2.00 -1.04 114.58 119.85 1qtw h GLU 120 Ca 0.29 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 1qtw h GLU 120 Cb -0.03 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1qtw h GLU 120 CO -0.09 0.43 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.08 1qtw h ASP 121 N 0.67 0.87 -0.30 1.04 3.32 -1.89 -1.75 116.42 118.38 1qtw h ASP 121 Ca 0.20 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 1qtw h ASP 121 Cb -0.05 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1qtw h ASP 121 CO -0.06 1.03 0.18 0.00 -1.72 0.00 0.00 179.24 178.66 1qtw h LEU 123 N 0.38 1.03 -0.73 0.00 3.38 -1.10 -1.17 115.31 117.10 1qtw h LEU 123 Ca 0.11 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1qtw h LEU 123 Cb 0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1qtw h LEU 123 CO -0.02 0.80 0.09 0.00 0.09 0.00 0.00 178.44 179.40 1qtw h ALA 124 N 1.37 0.94 -0.74 1.53 0.00 -1.00 -1.44 119.26 119.92 1qtw h ALA 124 Ca 0.30 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1qtw h ALA 124 Cb -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1qtw h ALA 124 CO -0.05 0.66 0.32 0.00 0.00 0.00 0.00 179.25 180.17 1qtw h ARG 125 N 0.99 1.08 -0.31 0.00 3.08 -0.58 -1.68 114.38 116.96 1qtw h ARG 125 Ca 0.19 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1qtw h ARG 125 Cb 0.45 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1qtw h ARG 125 CO 0.01 0.86 0.03 0.82 -1.07 0.00 0.00 179.97 180.62 1qtw h ILE 126 N 1.06 1.24 -0.85 2.04 2.04 -0.89 -0.52 117.51 121.63 1qtw h ILE 126 Ca 0.25 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1qtw h ILE 126 Cb 0.16 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1qtw h ILE 126 CO -0.03 0.28 0.53 0.00 0.00 0.00 0.00 178.15 178.93 1qtw h ALA 127 N 0.87 1.08 -0.40 1.87 0.00 -1.08 -1.19 119.26 120.41 1qtw h ALA 127 Ca 0.09 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1qtw h ALA 127 Cb 0.38 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1qtw h ALA 127 CO 0.01 0.53 -0.09 1.49 0.00 0.00 0.00 179.25 181.19 1qtw h GLU 128 N 1.17 0.70 -0.49 0.00 4.57 -1.09 -1.05 114.58 118.39 1qtw h GLU 128 Ca 0.31 -0.22 0.04 0.00 -1.18 0.00 0.00 59.36 58.31 1qtw h GLU 128 Cb -0.07 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 1qtw h GLU 128 CO -0.06 0.78 0.24 0.77 -1.18 0.00 0.00 179.01 179.57 1qtw h SER 129 N 0.64 0.35 -0.11 1.04 0.02 -0.54 -1.42 113.55 113.52 1qtw h SER 129 Ca 0.11 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1qtw h SER 129 Cb 0.54 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1qtw h SER 129 CO 0.03 0.24 0.07 0.40 -1.14 0.00 0.00 176.83 176.44 1qtw h ILE 130 N 0.48 1.05 -0.83 3.27 2.04 -0.73 -1.77 117.51 121.02 1qtw h ILE 130 Ca 0.22 -0.13 0.14 0.00 1.00 0.00 0.00 64.86 66.09 1qtw h ILE 130 Cb 0.13 0.93 -0.09 0.00 -0.74 0.00 0.00 36.82 37.05 1qtw h ILE 130 CO -0.16 0.05 0.43 0.78 0.00 0.00 0.00 178.15 179.25 1qtw h ASN 131 N 0.13 0.53 -0.12 1.72 2.35 -0.82 0.87 115.58 120.23 1qtw h ASN 131 Ca 0.04 0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1qtw h ASN 131 Cb 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1qtw h ASN 131 CO -0.01 0.23 0.07 0.40 -1.65 0.00 0.00 177.43 176.47 1qtw h ILE 132 N 0.63 1.08 -0.62 2.81 2.04 -1.03 -1.40 117.51 121.02 1qtw h ILE 132 Ca 0.45 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 66.02 1qtw h ILE 132 Cb 0.61 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1qtw h ILE 132 CO -0.35 0.07 0.10 0.00 0.00 0.00 0.00 178.15 177.97 1qtw h ALA 133 N 0.98 0.99 0.00 1.87 0.00 -0.71 -2.37 119.26 120.01 1qtw h ALA 133 Ca 0.04 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1qtw h ALA 133 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1qtw h ALA 133 CO -0.01 0.64 -0.26 -0.07 0.00 0.00 0.00 179.25 179.55 1qtw h LEU 134 N 0.96 0.00 -0.49 0.00 3.38 -0.69 -2.12 115.31 116.36 1qtw h LEU 134 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1qtw h LEU 134 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1qtw h LEU 134 CO 0.01 0.26 -0.01 0.44 0.09 0.00 0.00 178.44 179.23 1qtw h ASP 135 N 0.00 0.00 -0.01 -0.43 3.32 -0.76 -3.27 116.42 115.26 1qtw h ASP 135 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qtw h ASP 135 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1qtw h ASP 135 CO 0.03 0.01 -0.38 0.29 -1.72 0.00 0.00 179.24 177.48 1qtw n LYS 136 N -3.10 1.49 -4.30 3.56 4.76 -0.84 -5.00 118.16 114.72 1qtw n LYS 136 Ca 0.03 -0.96 -0.17 0.00 -2.87 0.00 0.00 58.31 54.34 1qtw n LYS 136 Cb 0.46 -1.37 -0.09 0.00 -1.84 0.00 0.00 35.03 32.18 1qtw n LYS 136 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1qtw s THR 137 N -2.14 0.24 0.01 -0.18 -4.23 -0.93 -5.01 115.64 103.41 1qtw s THR 137 Ca 0.16 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.69 1qtw s THR 137 Cb 0.15 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.46 1qtw s THR 137 CO 0.47 0.00 -0.05 -1.10 -0.54 0.00 0.00 174.62 173.40 1qtw s GLN 138 N -3.87 0.35 0.00 3.99 -0.21 -1.26 -4.83 119.66 113.83 1qtw s GLN 138 Ca 0.37 -0.36 0.00 0.00 0.02 0.00 0.00 55.36 55.40 1qtw s GLN 138 Cb 0.05 -0.23 0.00 0.00 1.00 0.00 0.00 33.01 33.83 1qtw s GLN 138 CO 0.17 0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.80 1qtw n GLY 139 N 2.41 0.84 3.25 3.09 0.00 -1.26 -4.85 105.19 108.66 1qtw n GLY 139 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1qtw n GLY 139 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qtw s VAL 140 N -3.35 2.61 -0.07 1.61 1.01 -1.26 -4.48 120.40 116.47 1qtw s VAL 140 Ca 0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.98 1qtw s VAL 140 Cb 0.00 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1qtw s VAL 140 CO 0.00 0.52 0.62 -0.89 0.00 0.00 0.00 175.10 175.35 1qtw s THR 141 N 0.84 5.06 -0.45 3.92 2.01 -0.02 -4.92 115.64 122.07 1qtw s THR 141 Ca -0.05 1.28 -0.29 0.00 0.31 0.00 0.00 61.69 62.94 1qtw s THR 141 Cb -0.15 -3.96 0.03 0.00 0.01 0.00 0.00 72.50 68.42 1qtw s THR 141 CO -0.01 0.30 1.11 0.00 -0.69 0.00 0.00 174.62 175.33 1qtw s ALA 142 N 0.58 3.22 -0.44 7.40 0.00 -0.19 -1.27 121.76 131.06 1qtw s ALA 142 Ca 0.33 -0.44 -0.11 0.00 0.00 0.00 0.00 51.96 51.74 1qtw s ALA 142 Cb -0.17 -3.83 0.08 0.00 0.00 0.00 0.00 23.12 19.20 1qtw s ALA 142 CO 0.16 -2.11 0.32 0.08 0.00 0.00 0.00 175.76 174.20 1qtw s VAL 143 N 4.25 4.57 -0.17 0.00 1.01 0.24 -1.08 120.40 129.22 1qtw s VAL 143 Ca 0.46 -1.32 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 1qtw s VAL 143 Cb -0.08 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.50 1qtw s VAL 143 CO 0.29 -0.56 1.09 -0.63 0.00 0.00 0.00 175.10 175.28 1qtw s ILE 144 N 1.49 4.60 -0.03 2.22 1.01 0.07 -1.28 121.20 129.27 1qtw s ILE 144 Ca 0.03 1.91 -0.16 0.00 0.00 0.00 0.00 60.65 62.43 1qtw s ILE 144 Cb -0.24 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 1qtw s ILE 144 CO 0.03 -0.11 0.44 -0.70 0.00 0.00 0.00 174.94 174.60 1qtw s GLU 145 N 2.87 4.09 0.85 2.79 2.12 0.04 -0.98 118.70 130.47 1qtw s GLU 145 Ca 0.48 0.45 -0.11 0.00 0.36 0.00 0.00 54.97 56.15 1qtw s GLU 145 Cb -0.18 -3.29 0.10 0.00 0.26 0.00 0.00 34.13 31.02 1qtw s GLU 145 CO 0.12 0.51 1.10 0.54 -0.54 0.00 0.00 175.26 176.99 1qtw s ASN 146 N -0.53 3.79 0.22 -1.70 4.22 -0.93 -4.28 114.94 115.73 1qtw s ASN 146 Ca 0.25 1.75 0.04 0.00 -2.14 0.00 0.00 52.86 52.76 1qtw s ASN 146 Cb -0.16 -2.40 -0.05 0.00 1.28 0.00 0.00 41.25 39.92 1qtw s ASN 146 CO 0.13 -2.48 -0.04 0.42 -2.04 0.00 0.00 177.10 173.10 1qtw s THR 147 N -2.86 1.16 0.10 0.54 -4.23 -0.56 -4.66 115.64 105.12 1qtw s THR 147 Ca 0.63 -2.06 0.28 0.00 -1.18 0.00 0.00 61.69 59.37 1qtw s THR 147 Cb -0.18 -2.24 0.31 0.00 1.34 0.00 0.00 72.50 71.73 1qtw s THR 147 CO 0.57 -0.42 1.89 0.00 -0.54 0.00 0.00 174.62 176.12 1qtw h ALA 148 N 2.52 1.02 0.00 3.99 0.00 -1.89 -3.35 119.26 121.54 1qtw h ALA 148 Ca -0.38 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1qtw h ALA 148 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1qtw h ALA 148 CO 0.64 0.14 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1qtw n GLY 149 N 0.13 0.56 3.77 0.00 0.00 -1.26 -3.97 105.19 104.41 1qtw n GLY 149 Ca 0.00 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 1qtw n GLY 149 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qtw s GLN 150 N -3.59 3.55 5.99 1.61 -0.21 -1.21 -4.71 119.66 121.10 1qtw s GLN 150 Ca 0.00 1.78 0.00 0.00 0.02 0.00 0.00 55.36 57.16 1qtw s GLN 150 Cb 0.00 -2.26 0.00 0.00 1.00 0.00 0.00 33.01 31.75 1qtw s GLN 150 CO 0.00 -0.73 0.00 0.41 -2.12 0.00 0.00 175.29 172.85 1qtw n GLY 151 N 0.41 3.32 1.52 3.09 0.00 -1.26 -1.51 105.19 110.76 1qtw n GLY 151 Ca 0.09 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1qtw n GLY 151 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qtw n SER 152 N 3.85 4.94 -4.73 1.61 3.41 -1.26 -4.98 113.62 116.45 1qtw n SER 152 Ca 0.00 -2.80 -0.41 0.00 -0.26 0.00 0.00 58.87 55.39 1qtw n SER 152 Cb 0.00 -0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 1qtw n SER 152 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1qtw s ASN 153 N -1.12 6.87 0.64 4.04 -0.87 -0.57 -2.35 114.94 121.58 1qtw s ASN 153 Ca 0.49 2.41 0.05 0.00 -1.57 0.00 0.00 52.86 54.24 1qtw s ASN 153 Cb 0.37 -2.61 0.11 0.00 -0.02 0.00 0.00 41.25 39.09 1qtw s ASN 153 CO 0.16 -0.56 0.88 -0.76 -2.57 0.00 0.00 177.10 174.25 1qtw s LEU 154 N 0.04 3.05 0.00 0.60 1.43 -0.18 -4.51 118.68 119.11 1qtw s LEU 154 Ca 0.58 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1qtw s LEU 154 Cb -0.37 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1qtw s LEU 154 CO 0.37 -1.57 0.00 0.61 0.23 0.00 0.00 176.35 176.00 1qtw n GLY 155 N -2.50 0.65 0.14 -3.19 0.00 -1.26 -4.54 105.19 94.50 1qtw n GLY 155 Ca 0.15 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.07 1qtw n GLY 155 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1qtw h PHE 156 N 0.00 0.00 -2.83 1.61 -5.15 -1.83 -1.49 116.94 107.26 1qtw h PHE 156 Ca 0.00 0.00 -0.66 0.00 -0.20 0.00 0.00 57.97 57.11 1qtw h PHE 156 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 35.95 36.08 1qtw h PHE 156 CO 0.00 0.20 -0.51 0.15 -2.00 0.00 0.00 178.31 176.16 1qtw s LYS 157 N -3.17 3.43 0.45 6.09 1.02 -1.26 -4.82 119.74 121.49 1qtw s LYS 157 Ca 0.01 -0.19 0.15 0.00 0.02 0.00 0.00 55.97 55.96 1qtw s LYS 157 Cb 0.08 -3.14 1.09 0.00 -0.52 0.00 0.00 37.83 35.34 1qtw s LYS 157 CO 0.76 0.72 2.01 0.74 -0.92 0.00 0.00 175.35 178.66 1qtw h PHE 158 N 5.19 0.33 -0.15 3.18 0.05 -1.97 -0.50 116.94 123.07 1qtw h PHE 158 Ca -0.53 0.01 0.01 0.00 3.82 0.00 0.00 57.97 61.28 1qtw h PHE 158 Cb 1.22 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 39.05 1qtw h PHE 158 CO 0.72 0.17 0.10 0.93 -0.18 0.00 0.00 178.31 180.05 1qtw h GLU 159 N 0.32 0.15 -0.41 1.51 3.07 -1.95 -1.45 114.58 115.82 1qtw h GLU 159 Ca 0.23 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.07 1qtw h GLU 159 Cb 0.48 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 1qtw h GLU 159 CO -0.05 0.10 0.21 0.45 -1.40 0.00 0.00 179.01 178.31 1qtw h HIS 160 N 0.15 0.59 -0.50 4.33 3.86 -1.46 -1.09 115.15 121.03 1qtw h HIS 160 Ca 0.06 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1qtw h HIS 160 Cb 0.05 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 1qtw h HIS 160 CO -0.00 0.48 0.31 -0.07 0.86 0.00 0.00 177.93 179.51 1qtw h LEU 161 N 0.53 0.59 -0.74 2.43 3.38 -1.33 -1.87 115.31 118.30 1qtw h LEU 161 Ca 0.14 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1qtw h LEU 161 Cb 0.10 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1qtw h LEU 161 CO -0.02 0.46 0.33 0.00 0.09 0.00 0.00 178.44 179.29 1qtw h ALA 162 N 1.16 0.95 -0.88 1.53 0.00 -1.23 -1.30 119.26 119.49 1qtw h ALA 162 Ca 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1qtw h ALA 162 Cb -0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1qtw h ALA 162 CO -0.04 0.55 0.47 0.00 0.00 0.00 0.00 179.25 180.23 1qtw h ALA 163 N 1.16 1.15 -0.05 0.00 0.00 -0.92 -0.27 119.26 120.34 1qtw h ALA 163 Ca 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1qtw h ALA 163 Cb 0.17 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1qtw h ALA 163 CO -0.03 0.67 0.02 0.82 0.00 0.00 0.00 179.25 180.73 1qtw h ILE 164 N 1.24 1.16 -0.96 0.00 2.04 -1.06 -3.01 117.51 116.94 1qtw h ILE 164 Ca 0.31 -0.49 0.06 0.00 1.00 0.00 0.00 64.86 65.74 1qtw h ILE 164 Cb 0.06 1.41 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 1qtw h ILE 164 CO -0.05 0.14 0.62 0.40 0.00 0.00 0.00 178.15 179.26 1qtw h ILE 165 N -0.11 1.10 -0.39 -0.67 2.04 -0.93 -0.85 117.51 117.70 1qtw h ILE 165 Ca 0.02 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.53 1qtw h ILE 165 Cb 0.20 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 1qtw h ILE 165 CO -0.00 0.21 0.26 0.44 0.00 0.00 0.00 178.15 179.06 1qtw h ASP 166 N 1.14 0.31 0.61 1.72 3.32 -0.92 -1.15 116.42 121.45 1qtw h ASP 166 Ca 0.41 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1qtw h ASP 166 Cb 0.14 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1qtw h ASP 166 CO -0.15 0.21 -0.17 0.61 -1.72 0.00 0.00 179.24 178.02 1qtw n GLY 167 N -1.51 -1.21 3.71 2.75 0.00 -0.35 -4.86 105.19 103.72 1qtw n GLY 167 Ca 0.04 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1qtw n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qtw s VAL 168 N -2.78 4.95 -0.07 1.61 1.01 -0.44 -4.72 120.40 119.96 1qtw s VAL 168 Ca 0.19 1.78 -0.22 0.00 0.00 0.00 0.00 61.98 63.73 1qtw s VAL 168 Cb 0.19 -4.19 -0.18 0.00 0.00 0.00 0.00 36.38 32.20 1qtw s VAL 168 CO 0.55 0.19 0.86 -0.33 0.00 0.00 0.00 175.10 176.37 1qtw h GLU 169 N 6.81 -0.12 -4.49 2.72 5.08 -1.89 -3.38 114.58 119.31 1qtw h GLU 169 Ca -0.40 0.01 -0.74 0.00 -1.00 0.00 0.00 59.36 57.23 1qtw h GLU 169 Cb 1.20 0.03 -0.21 0.00 0.50 0.00 0.00 28.75 30.27 1qtw h GLU 169 CO 0.76 0.41 0.81 0.34 -1.00 0.00 0.00 179.01 180.32 1qtw s ASP 170 N -5.66 6.90 0.05 1.42 2.15 -1.26 -4.85 116.67 115.42 1qtw s ASP 170 Ca -0.14 -2.71 0.15 0.00 0.43 0.00 0.00 52.55 50.28 1qtw s ASP 170 Cb -0.00 -2.34 0.62 0.00 -0.30 0.00 0.00 42.92 40.91 1qtw s ASP 170 CO 0.52 -0.75 1.46 0.29 -0.17 0.00 0.00 175.17 176.52 1qtw n LYS 171 N 5.19 0.03 0.29 4.34 5.02 -1.26 -1.94 118.16 129.83 1qtw n LYS 171 Ca 0.26 0.31 0.18 0.00 -2.02 0.00 0.00 58.31 57.04 1qtw n LYS 171 Cb 0.45 -1.57 0.82 0.00 -0.02 0.00 0.00 35.03 34.71 1qtw n LYS 171 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1qtw h SER 172 N 0.00 0.00 -0.20 4.39 4.64 -1.96 -3.09 113.55 117.33 1qtw h SER 172 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1qtw h SER 172 Cb 0.24 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.27 1qtw h SER 172 CO 0.00 0.02 -0.24 0.54 -0.87 0.00 0.00 176.83 176.29 1qtw n ARG 173 N -3.16 1.75 -4.32 4.77 1.74 -0.82 -4.96 116.66 111.66 1qtw n ARG 173 Ca -0.01 -3.20 -0.22 0.00 -0.77 0.00 0.00 57.85 53.65 1qtw n ARG 173 Cb 0.25 -1.73 -0.13 0.00 -1.02 0.00 0.00 32.46 29.83 1qtw n ARG 173 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1qtw s VAL 174 N -3.22 1.47 0.00 1.55 0.11 -1.17 -1.02 120.40 118.13 1qtw s VAL 174 Ca 0.41 -1.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 1qtw s VAL 174 Cb 0.39 -1.34 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 1qtw s VAL 174 CO -0.03 -0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 1qtw n GLY 175 N 1.37 2.24 3.08 6.54 0.00 -0.24 -4.91 105.19 113.26 1qtw n GLY 175 Ca -0.19 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 1qtw n GLY 175 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qtw s VAL 176 N -2.96 0.41 -0.08 1.61 -7.23 0.30 -0.76 120.40 111.70 1qtw s VAL 176 Ca 0.00 -1.40 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1qtw s VAL 176 Cb 0.00 -0.98 0.01 0.00 0.56 0.00 0.00 36.38 35.97 1qtw s VAL 176 CO 0.00 -0.66 -0.17 0.00 -0.31 0.00 0.00 175.10 173.96 1qtw s ILE 178 N 0.55 4.92 -0.29 0.00 -1.09 -1.04 -2.19 121.20 122.07 1qtw s ILE 178 Ca -0.16 0.03 -0.11 0.00 -2.23 0.00 0.00 60.65 58.18 1qtw s ILE 178 Cb -0.17 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 1qtw s ILE 178 CO 0.05 0.35 0.19 -0.62 -1.23 0.00 0.00 174.94 173.69 1qtw s ASP 179 N 1.18 5.98 0.27 3.58 3.68 -1.26 -0.98 116.67 129.12 1qtw s ASP 179 Ca 0.06 -0.10 -0.01 0.00 2.13 0.00 0.00 52.55 54.62 1qtw s ASP 179 Cb -0.14 -2.11 0.36 0.00 -1.45 0.00 0.00 42.92 39.58 1qtw s ASP 179 CO 0.05 -0.08 1.78 0.71 0.13 0.00 0.00 175.17 177.75 1qtw h THR 180 N 5.40 1.24 -0.24 1.71 1.35 -1.53 -0.65 112.91 120.19 1qtw h THR 180 Ca -0.34 -0.95 -0.01 0.00 -0.55 0.00 0.00 66.41 64.55 1qtw h THR 180 Cb 1.18 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 1qtw h THR 180 CO 0.57 0.34 0.11 0.00 -0.25 0.00 0.00 175.52 176.28 1qtw h HIS 182 N 0.25 0.63 -0.30 0.00 3.86 -1.80 -0.41 115.15 117.38 1qtw h HIS 182 Ca 0.08 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1qtw h HIS 182 Cb 0.14 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 1qtw h HIS 182 CO -0.02 0.38 0.15 0.00 0.86 0.00 0.00 177.93 179.30 1qtw h ALA 183 N 1.22 0.37 -0.27 2.45 0.00 -1.01 -0.92 119.26 121.09 1qtw h ALA 183 Ca 0.20 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1qtw h ALA 183 Cb -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1qtw h ALA 183 CO -0.07 -0.24 0.12 0.35 0.00 0.00 0.00 179.25 179.41 1qtw h PHE 184 N 0.31 0.41 -0.33 0.00 3.57 -1.05 -0.38 116.94 119.46 1qtw h PHE 184 Ca 0.13 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1qtw h PHE 184 Cb 0.05 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1qtw h PHE 184 CO -0.10 0.39 0.22 0.00 -2.23 0.00 0.00 178.31 176.59 1qtw h ALA 185 N 0.97 1.82 0.00 2.41 0.00 -0.94 -1.51 119.26 122.01 1qtw h ALA 185 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1qtw h ALA 185 Cb 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1qtw h ALA 185 CO -0.01 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1qtw n ALA 186 N -2.50 2.32 0.00 0.00 0.00 -0.36 -0.52 120.51 119.45 1qtw n ALA 186 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1qtw n ALA 186 Cb 0.10 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1qtw n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qtw n GLY 187 N 1.48 1.29 3.49 0.00 0.00 -0.72 -4.79 105.19 105.94 1qtw n GLY 187 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1qtw n GLY 187 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qtw s TYR 188 N -2.00 3.17 0.51 1.61 1.51 -0.20 -4.89 117.35 117.05 1qtw s TYR 188 Ca 0.00 -0.36 -0.18 0.00 -1.01 0.00 0.00 57.07 55.53 1qtw s TYR 188 Cb 0.00 -2.91 -0.08 0.00 -0.11 0.00 0.00 41.96 38.86 1qtw s TYR 188 CO 0.00 -0.71 1.00 0.34 -1.11 0.00 0.00 175.55 175.08 1qtw s ASP 189 N 1.82 6.46 0.00 2.29 -1.08 -1.26 -3.45 116.67 121.44 1qtw s ASP 189 Ca 0.12 1.70 0.00 0.00 -0.52 0.00 0.00 52.55 53.86 1qtw s ASP 189 Cb -0.17 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 1qtw s ASP 189 CO 0.14 -0.70 0.41 0.18 0.52 0.00 0.00 175.17 175.72 1qtw n LEU 190 N -1.40 0.00 0.15 -1.34 4.77 -1.26 -3.98 117.00 113.94 1qtw n LEU 190 Ca 0.08 -0.07 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 1qtw n LEU 190 Cb 0.54 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.97 1qtw n LEU 190 CO 0.44 0.07 0.86 0.03 -1.33 0.00 0.00 177.39 177.47 1qtw h ARG 191 N 0.00 0.00 -5.11 3.23 3.08 -1.91 -3.37 114.38 110.30 1qtw h ARG 191 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 1qtw h ARG 191 Cb 0.99 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.89 1qtw h ARG 191 CO 0.00 0.00 -0.72 0.95 -1.07 0.00 0.00 179.97 179.13 1qtw s THR 192 N -3.18 1.20 0.27 2.04 -4.23 -1.26 -4.81 115.64 105.67 1qtw s THR 192 Ca 0.09 -2.04 -0.01 0.00 -1.18 0.00 0.00 61.69 58.55 1qtw s THR 192 Cb 0.09 -1.82 0.25 0.00 1.34 0.00 0.00 72.50 72.37 1qtw s THR 192 CO 0.60 -0.71 1.82 -0.65 -0.54 0.00 0.00 174.62 175.14 1qtw h PRO 193 N 2.84 0.88 -0.90 3.99 0.11 -1.90 -0.81 132.00 136.21 1qtw h PRO 193 Ca -0.37 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1qtw h PRO 193 Cb 1.19 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 1qtw h PRO 193 CO 0.62 0.58 0.54 0.00 -0.21 0.00 0.00 178.00 179.53 1qtw h ALA 194 N 1.50 1.15 -0.37 -0.75 0.00 -1.97 -0.85 119.26 117.98 1qtw h ALA 194 Ca 0.46 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.14 1qtw h ALA 194 Cb 0.44 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1qtw h ALA 194 CO -0.26 0.62 -0.28 0.93 0.00 0.00 0.00 179.25 180.26 1qtw h GLU 195 N 1.25 0.77 -0.34 0.00 5.08 -1.66 -1.21 114.58 118.46 1qtw h GLU 195 Ca 0.32 -0.34 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1qtw h GLU 195 Cb -0.04 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1qtw h GLU 195 CO -0.06 0.96 0.14 0.00 -1.00 0.00 0.00 179.01 179.05 1qtw h GLU 197 N 0.30 1.18 -0.23 0.00 4.57 -0.96 -0.57 114.58 118.88 1qtw h GLU 197 Ca 0.15 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1qtw h GLU 197 Cb 0.10 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 1qtw h GLU 197 CO -0.13 0.96 0.14 -0.22 -1.18 0.00 0.00 179.01 178.57 1qtw h LYS 198 N 1.15 0.30 -0.43 1.92 3.64 -0.90 -0.00 116.57 122.26 1qtw h LYS 198 Ca 0.26 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1qtw h LYS 198 Cb 0.21 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1qtw h LYS 198 CO -0.02 0.23 0.28 1.15 -2.27 0.00 0.00 179.45 178.81 1qtw h THR 199 N 0.29 1.11 0.00 1.00 2.02 -0.65 -1.97 112.91 114.72 1qtw h THR 199 Ca 0.08 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 1qtw h THR 199 Cb -0.00 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1qtw h THR 199 CO -0.02 0.11 -0.26 -0.26 0.37 0.00 0.00 175.52 175.46 1qtw h PHE 200 N 0.58 0.00 -0.31 3.16 0.04 -0.96 -1.25 116.94 118.20 1qtw h PHE 200 Ca 0.16 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.81 1qtw h PHE 200 Cb -0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 1qtw h PHE 200 CO -0.04 0.26 -0.30 0.00 -0.60 0.00 0.00 178.31 177.63 1qtw h ALA 201 N 1.74 0.90 -0.20 2.45 0.00 -0.80 0.14 119.26 123.48 1qtw h ALA 201 Ca -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1qtw h ALA 201 Cb 0.98 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1qtw h ALA 201 CO 0.03 0.62 0.11 0.22 0.00 0.00 0.00 179.25 180.24 1qtw h ASP 202 N 0.55 0.25 -0.70 0.00 -0.00 -1.05 -0.64 116.42 114.82 1qtw h ASP 202 Ca 0.07 -0.07 0.10 0.00 -0.00 0.00 0.00 57.03 57.13 1qtw h ASP 202 Cb 0.79 -0.06 -0.08 0.00 -0.00 0.00 0.00 39.33 39.99 1qtw h ASP 202 CO 0.07 0.25 0.32 0.15 -0.00 0.00 0.00 179.24 180.02 1qtw h PHE 203 N 0.23 0.57 -0.52 0.28 3.57 -1.09 -1.74 116.94 118.24 1qtw h PHE 203 Ca 0.07 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1qtw h PHE 203 Cb 0.05 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1qtw h PHE 203 CO -0.04 0.17 0.07 0.00 -2.23 0.00 0.00 178.31 176.27 1qtw h ALA 204 N 1.45 1.13 -0.02 2.41 0.00 -0.36 0.45 119.26 124.33 1qtw h ALA 204 Ca 0.36 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1qtw h ALA 204 Cb 0.43 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1qtw h ALA 204 CO -0.30 0.57 -0.60 0.00 0.00 0.00 0.00 179.25 178.92 1qtw h ARG 205 N 0.79 0.08 0.01 0.00 3.08 -0.69 -3.13 114.38 114.51 1qtw h ARG 205 Ca 0.16 -0.05 -0.41 0.00 0.07 0.00 0.00 59.98 59.75 1qtw h ARG 205 Cb 0.38 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 1qtw h ARG 205 CO 0.01 0.65 -2.32 0.25 -1.07 0.00 0.00 179.97 177.49 1qtw n THR 206 N -3.85 1.54 -0.08 2.04 -2.24 -0.69 -4.84 114.28 106.16 1qtw n THR 206 Ca -0.02 -0.38 -0.14 0.00 -2.27 0.00 0.00 64.05 61.25 1qtw n THR 206 Cb 0.60 -1.82 -0.05 0.00 -2.10 0.00 0.00 70.33 66.97 1qtw n THR 206 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1qtw n VAL 207 N -4.07 1.30 0.00 2.28 0.31 0.02 -4.72 118.33 113.45 1qtw n VAL 207 Ca -0.49 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1qtw n VAL 207 Cb 0.88 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 1qtw n VAL 207 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qtw n GLY 208 N 1.86 1.44 0.27 2.92 0.00 -0.43 -4.77 105.19 106.48 1qtw n GLY 208 Ca -0.24 -1.44 0.18 0.00 0.00 0.00 0.00 46.02 44.52 1qtw n GLY 208 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1qtw h PHE 209 N 0.00 0.00 0.00 1.61 -1.00 -1.84 -2.19 116.94 113.53 1qtw h PHE 209 Ca 0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1qtw h PHE 209 Cb 0.00 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.56 1qtw h PHE 209 CO 0.00 0.00 -0.02 1.57 -1.61 0.00 0.00 178.31 178.25 1qtw h LYS 210 N 0.00 0.00 -0.01 1.51 2.10 -1.98 -1.22 116.57 116.97 1qtw h LYS 210 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1qtw h LYS 210 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1qtw h LYS 210 CO 0.00 0.02 -0.26 0.66 -2.00 0.00 0.00 179.45 177.86 1qtw n TYR 211 N -3.55 0.00 -2.42 0.07 4.02 -0.82 -4.92 117.16 109.53 1qtw n TYR 211 Ca -0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.43 1qtw n TYR 211 Cb 0.10 -0.09 -0.02 0.00 -0.02 0.00 0.00 39.34 39.31 1qtw n TYR 211 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1qtw s LEU 212 N -2.45 4.15 0.00 7.72 2.96 -0.46 -0.53 118.68 130.06 1qtw s LEU 212 Ca 0.25 1.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.80 1qtw s LEU 212 Cb 0.19 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.34 1qtw s LEU 212 CO 0.51 -0.80 0.37 0.54 -1.32 0.00 0.00 176.35 175.66 1qtw n ARG 213 N 6.69 0.26 -3.61 1.98 5.12 0.24 -4.90 116.66 122.44 1qtw n ARG 213 Ca 0.14 -0.37 -0.02 0.00 -1.93 0.00 0.00 57.85 55.67 1qtw n ARG 213 Cb 0.45 -0.86 -0.01 0.00 -1.16 0.00 0.00 32.46 30.87 1qtw n ARG 213 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1qtw s GLY 214 N -0.14 -0.35 0.06 -0.13 0.00 -1.18 -4.18 107.32 101.39 1qtw s GLY 214 Ca 0.00 1.01 0.04 0.00 0.00 0.00 0.00 44.72 45.77 1qtw s GLY 214 CO 0.00 0.29 -0.11 1.06 0.00 0.00 0.00 173.10 174.34 1qtw s MET 215 N -2.59 0.67 -0.22 2.90 -1.94 -0.51 -2.49 119.30 115.12 1qtw s MET 215 Ca 0.11 -0.85 -0.03 0.00 -1.71 0.00 0.00 55.69 53.21 1qtw s MET 215 Cb 0.01 -0.56 0.00 0.00 2.01 0.00 0.00 34.83 36.30 1qtw s MET 215 CO -0.04 0.12 -0.07 -1.01 -0.01 0.00 0.00 175.02 174.01 1qtw s HIS 216 N -1.32 2.94 -0.57 -0.03 3.76 -0.15 -0.87 115.29 119.06 1qtw s HIS 216 Ca -0.06 -1.14 -0.15 0.00 -0.15 0.00 0.00 55.06 53.56 1qtw s HIS 216 Cb -0.10 -2.07 0.14 0.00 1.11 0.00 0.00 32.58 31.66 1qtw s HIS 216 CO 0.01 -0.62 0.52 -0.51 -0.85 0.00 0.00 174.74 173.30 1qtw s LEU 217 N 1.43 6.22 -0.04 0.89 1.43 0.29 -1.54 118.68 127.36 1qtw s LEU 217 Ca 0.05 -1.90 0.02 0.00 -1.03 0.00 0.00 54.13 51.27 1qtw s LEU 217 Cb -0.14 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.89 1qtw s LEU 217 CO -0.05 -0.82 -0.08 0.20 0.23 0.00 0.00 176.35 175.83 1qtw s ASN 218 N 3.39 1.19 1.07 2.29 0.01 -1.26 -3.86 114.94 117.78 1qtw s ASN 218 Ca 0.05 -0.18 -0.18 0.00 -0.71 0.00 0.00 52.86 51.83 1qtw s ASN 218 Cb -0.28 -0.43 0.25 0.00 0.41 0.00 0.00 41.25 41.20 1qtw s ASN 218 CO 0.02 0.03 1.27 -0.62 -1.51 0.00 0.00 177.10 176.29 1qtw s ASP 219 N 0.46 2.10 -0.10 -1.22 -1.08 -0.58 -2.95 116.67 113.31 1qtw s ASP 219 Ca -0.07 0.28 0.00 0.00 -0.52 0.00 0.00 52.55 52.24 1qtw s ASP 219 Cb -0.11 -0.30 0.02 0.00 -1.46 0.00 0.00 42.92 41.07 1qtw s ASP 219 CO 0.01 -3.36 -0.09 0.00 0.52 0.00 0.00 175.17 172.25 1qtw s ALA 220 N -3.65 1.30 0.15 3.66 0.00 -1.26 -1.00 121.76 120.96 1qtw s ALA 220 Ca 0.75 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.21 1qtw s ALA 220 Cb -0.04 -0.82 -0.07 0.00 0.00 0.00 0.00 23.12 22.19 1qtw s ALA 220 CO 0.54 -0.28 1.33 0.87 0.00 0.00 0.00 175.76 178.22 1qtw h LYS 221 N 7.87 0.21 -7.51 0.00 1.57 -0.92 0.11 116.57 117.90 1qtw h LYS 221 Ca -0.30 -0.25 -0.47 0.00 -1.87 0.00 0.00 60.65 57.75 1qtw h LYS 221 Cb 1.14 0.08 0.12 0.00 0.08 0.00 0.00 32.23 33.65 1qtw h LYS 221 CO 0.43 1.01 0.33 -1.54 -0.57 0.00 0.00 179.45 179.11 1qtw s SER 222 N -6.96 3.96 0.36 0.86 1.04 -1.18 -4.83 113.70 106.95 1qtw s SER 222 Ca -0.03 0.98 0.07 0.00 0.48 0.00 0.00 55.95 57.45 1qtw s SER 222 Cb 0.10 -1.57 -0.00 0.00 0.10 0.00 0.00 66.02 64.64 1qtw s SER 222 CO 0.84 -2.27 0.49 0.42 0.98 0.00 0.00 173.24 173.70 1qtw s THR 223 N -3.33 3.80 0.04 2.02 -4.23 -1.26 -4.64 115.64 108.05 1qtw s THR 223 Ca 0.63 -1.00 -0.32 0.00 -1.18 0.00 0.00 61.69 59.81 1qtw s THR 223 Cb -0.14 -3.31 -0.11 0.00 1.34 0.00 0.00 72.50 70.29 1qtw s THR 223 CO 0.52 -0.12 1.86 0.33 -0.54 0.00 0.00 174.62 176.68 1qtw n PHE 224 N -1.69 2.47 -0.95 3.99 -0.00 -1.26 -1.63 117.46 118.39 1qtw n PHE 224 Ca 0.02 -0.13 0.00 0.00 -0.00 0.00 0.00 57.45 57.34 1qtw n PHE 224 Cb 0.58 -2.71 0.00 0.00 -0.00 0.00 0.00 39.48 37.35 1qtw n PHE 224 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1qtw n GLY 225 N 4.29 0.59 0.28 7.13 0.00 -0.65 -4.90 105.19 111.92 1qtw n GLY 225 Ca 0.20 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.38 1qtw n GLY 225 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qtw h SER 226 N 0.00 0.00 -5.05 1.61 4.64 -0.67 -3.44 113.55 110.64 1qtw h SER 226 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 1qtw h SER 226 Cb 0.11 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.24 1qtw h SER 226 CO 0.00 0.06 -0.63 0.54 -0.87 0.00 0.00 176.83 175.93 1qtw n ARG 227 N -3.27 -5.31 -5.15 4.77 1.74 0.32 -4.99 116.66 104.77 1qtw n ARG 227 Ca -0.01 0.80 -0.31 0.00 -0.77 0.00 0.00 57.85 57.57 1qtw n ARG 227 Cb 0.26 -5.68 -0.17 0.00 -1.02 0.00 0.00 32.46 25.85 1qtw n ARG 227 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1qtw s VAL 228 N -3.18 1.92 -0.72 1.55 1.01 -1.26 -3.29 120.40 116.43 1qtw s VAL 228 Ca 0.40 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 1qtw s VAL 228 Cb -0.19 -1.65 0.16 0.00 0.00 0.00 0.00 36.38 34.70 1qtw s VAL 228 CO 0.50 0.53 0.76 -0.62 0.00 0.00 0.00 175.10 176.27 1qtw s ASP 229 N 0.15 6.47 -0.17 3.32 3.68 -1.26 -4.74 116.67 124.11 1qtw s ASP 229 Ca -0.11 -2.06 -0.04 0.00 2.13 0.00 0.00 52.55 52.46 1qtw s ASP 229 Cb -0.16 -2.27 0.06 0.00 -1.45 0.00 0.00 42.92 39.11 1qtw s ASP 229 CO 0.06 -0.86 0.07 -0.13 0.13 0.00 0.00 175.17 174.43 1qtw s ARG 230 N 1.56 0.30 0.69 4.34 0.52 -1.26 -5.03 118.95 120.06 1qtw s ARG 230 Ca 0.16 -0.20 -0.11 0.00 -0.52 0.00 0.00 55.73 55.06 1qtw s ARG 230 Cb -0.17 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.41 1qtw s ARG 230 CO -0.02 -0.64 1.07 -1.01 0.02 0.00 0.00 175.30 174.71 1qtw s HIS 231 N 2.03 3.34 0.06 -0.53 3.76 -1.26 -0.51 115.29 122.18 1qtw s HIS 231 Ca 0.01 1.19 -0.03 0.00 -0.15 0.00 0.00 55.06 56.08 1qtw s HIS 231 Cb -0.16 -2.94 -0.03 0.00 1.11 0.00 0.00 32.58 30.56 1qtw s HIS 231 CO -0.08 -1.10 0.03 -1.58 -0.85 0.00 0.00 174.74 171.16 1qtw s HIS 232 N -3.23 0.45 0.62 1.40 2.46 -0.17 -3.95 115.29 112.86 1qtw s HIS 232 Ca 0.57 -0.97 -0.19 0.00 0.47 0.00 0.00 55.06 54.95 1qtw s HIS 232 Cb -0.12 -0.32 -0.02 0.00 -0.13 0.00 0.00 32.58 31.99 1qtw s HIS 232 CO 0.53 -0.43 1.32 -1.12 -2.47 0.00 0.00 174.74 172.57 1qtw s SER 233 N -2.91 4.77 0.14 9.88 0.01 -1.26 -1.53 113.70 122.80 1qtw s SER 233 Ca 0.08 2.67 -0.34 0.00 1.31 0.00 0.00 55.95 59.67 1qtw s SER 233 Cb 0.07 -2.62 -0.14 0.00 0.21 0.00 0.00 66.02 63.54 1qtw s SER 233 CO -0.09 -1.90 1.60 0.18 0.41 0.00 0.00 173.24 173.43 1qtw n LEU 234 N -1.67 3.09 0.00 2.44 4.77 -1.26 -1.64 117.00 122.73 1qtw n LEU 234 Ca 0.14 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 1qtw n LEU 234 Cb 0.47 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1qtw n LEU 234 CO 0.49 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 1qtw n GLY 235 N 3.47 3.03 0.05 -0.72 0.00 -1.26 -4.85 105.19 104.91 1qtw n GLY 235 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1qtw n GLY 235 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qtw n GLU 236 N -2.00 0.30 -0.15 1.61 1.02 -0.65 -4.60 120.64 116.17 1qtw n GLU 236 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1qtw n GLU 236 Cb 0.00 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 1qtw n GLU 236 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qtw n GLY 237 N 1.35 2.16 0.04 0.62 0.00 -1.25 -4.98 105.19 103.14 1qtw n GLY 237 Ca 0.02 -2.05 0.13 0.00 0.00 0.00 0.00 46.02 44.12 1qtw n GLY 237 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qtw n ASN 238 N -0.41 0.41 -0.02 1.61 3.02 0.37 -3.55 115.26 116.69 1qtw n ASN 238 Ca 0.00 0.35 -0.17 0.00 -0.03 0.00 0.00 54.58 54.74 1qtw n ASN 238 Cb 0.00 -0.38 -0.14 0.00 -0.61 0.00 0.00 39.78 38.65 1qtw n ASN 238 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1qtw h ILE 239 N 0.00 1.67 0.00 2.41 2.04 -1.91 -3.47 117.51 118.24 1qtw h ILE 239 Ca 0.00 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.44 1qtw h ILE 239 Cb 0.60 3.30 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 1qtw h ILE 239 CO 0.00 0.66 0.00 0.61 0.00 0.00 0.00 178.15 179.42 1qtw n GLY 240 N 1.62 -0.92 0.19 5.37 0.00 -1.23 -4.49 105.19 105.74 1qtw n GLY 240 Ca -0.12 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.32 1qtw n GLY 240 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1qtw h HIS 241 N 0.00 0.00 -0.38 1.61 2.07 -1.92 -3.34 115.15 113.19 1qtw h HIS 241 Ca 0.00 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.45 1qtw h HIS 241 Cb 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 1qtw h HIS 241 CO 0.00 0.26 -0.06 -0.44 -3.07 0.00 0.00 177.93 174.62 1qtw h ASP 242 N 0.00 0.61 -0.88 3.10 3.45 -1.89 -2.13 116.42 118.68 1qtw h ASP 242 Ca -0.00 -0.15 0.05 0.00 0.43 0.00 0.00 57.03 57.36 1qtw h ASP 242 Cb 1.04 -0.16 -0.05 0.00 -0.56 0.00 0.00 39.33 39.59 1qtw h ASP 242 CO 0.03 0.72 0.58 0.00 -1.57 0.00 0.00 179.24 179.00 1qtw h ALA 243 N 1.35 1.50 -0.12 3.45 0.00 -1.72 -0.50 119.26 123.21 1qtw h ALA 243 Ca 0.11 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 1qtw h ALA 243 Cb 0.46 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1qtw h ALA 243 CO 0.02 0.39 -0.78 0.74 0.00 0.00 0.00 179.25 179.62 1qtw h PHE 244 N 1.04 0.93 -0.65 0.00 -1.00 -1.62 -0.73 116.94 114.90 1qtw h PHE 244 Ca 0.37 -0.42 0.06 0.00 2.81 0.00 0.00 57.97 60.79 1qtw h PHE 244 Cb 0.13 -0.14 -0.05 0.00 3.61 0.00 0.00 35.95 39.49 1qtw h PHE 244 CO -0.00 1.23 0.36 0.00 -1.61 0.00 0.00 178.31 178.29 1qtw h ARG 245 N 0.46 0.64 -0.30 1.51 3.08 -1.12 -1.43 114.38 117.23 1qtw h ARG 245 Ca -0.05 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1qtw h ARG 245 Cb 1.40 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 1qtw h ARG 245 CO 0.15 0.43 0.16 2.35 -1.07 0.00 0.00 179.97 181.99 1qtw h TRP 246 N 0.66 0.41 -0.30 3.04 7.01 -0.86 -2.05 115.95 123.86 1qtw h TRP 246 Ca 0.29 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.28 1qtw h TRP 246 Cb 0.17 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1qtw h TRP 246 CO -0.08 0.33 0.18 0.82 -2.79 0.00 0.00 178.44 176.90 1qtw h ILE 247 N 0.36 1.11 0.00 2.65 2.04 -1.01 -2.62 117.51 120.03 1qtw h ILE 247 Ca 0.10 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1qtw h ILE 247 Cb 0.06 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1qtw h ILE 247 CO -0.02 0.11 -0.03 0.24 0.00 0.00 0.00 178.15 178.45 1qtw h MET 248 N 0.39 0.00 -0.11 2.37 2.86 -0.99 -2.34 114.93 117.10 1qtw h MET 248 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1qtw h MET 248 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1qtw h MET 248 CO -0.02 0.03 0.00 1.04 1.06 0.00 0.00 176.91 179.02 1qtw n GLN 249 N -3.86 2.08 -3.92 1.72 6.02 -0.79 -4.44 117.38 114.18 1qtw n GLN 249 Ca -0.03 -1.59 -0.35 0.00 -0.01 0.00 0.00 57.00 55.02 1qtw n GLN 249 Cb 0.12 -1.47 -0.13 0.00 1.02 0.00 0.00 30.24 29.79 1qtw n GLN 249 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1qtw s ASP 250 N -1.84 4.81 0.03 1.08 3.68 -0.88 -4.99 116.67 118.56 1qtw s ASP 250 Ca 0.34 -0.25 0.15 0.00 2.13 0.00 0.00 52.55 54.92 1qtw s ASP 250 Cb 0.20 -1.84 0.64 0.00 -1.45 0.00 0.00 42.92 40.48 1qtw s ASP 250 CO 0.31 0.01 1.48 -0.90 0.13 0.00 0.00 175.17 176.20 1qtw n ASP 251 N 4.61 0.08 0.15 -0.34 5.68 -1.26 -2.47 116.55 122.99 1qtw n ASP 251 Ca -0.17 0.52 0.12 0.00 -0.50 0.00 0.00 54.79 54.76 1qtw n ASP 251 Cb 0.51 -0.54 0.53 0.00 -1.14 0.00 0.00 41.12 40.48 1qtw n ASP 251 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1qtw n ARG 252 N -1.59 0.19 -0.70 0.11 1.74 -1.26 -2.25 116.66 112.90 1qtw n ARG 252 Ca 0.03 0.49 0.09 0.00 -0.77 0.00 0.00 57.85 57.69 1qtw n ARG 252 Cb 0.17 -1.91 0.38 0.00 -1.02 0.00 0.00 32.46 30.07 1qtw n ARG 252 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1qtw n PHE 253 N -2.28 1.67 -2.47 -1.55 3.01 -1.03 -4.98 117.46 109.82 1qtw n PHE 253 Ca 0.01 -0.64 -0.32 0.00 1.01 0.00 0.00 57.45 57.51 1qtw n PHE 253 Cb 0.18 -0.32 -0.03 0.00 -0.01 0.00 0.00 39.48 39.30 1qtw n PHE 253 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1qtw s ASP 254 N -0.87 6.58 -0.07 4.37 1.11 -0.95 -4.37 116.67 122.46 1qtw s ASP 254 Ca 0.53 1.46 0.00 0.00 0.18 0.00 0.00 52.55 54.72 1qtw s ASP 254 Cb 0.36 -2.46 0.00 0.00 1.07 0.00 0.00 42.92 41.88 1qtw s ASP 254 CO 0.23 -0.56 0.00 0.61 1.18 0.00 0.00 175.17 176.63 1qtw n GLY 255 N -1.58 0.46 3.15 0.21 0.00 0.08 -4.98 105.19 102.52 1qtw n GLY 255 Ca 0.06 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1qtw n GLY 255 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qtw s ILE 256 N -1.88 0.83 0.11 -0.61 -4.36 -1.26 -4.97 121.20 109.06 1qtw s ILE 256 Ca 0.00 -1.54 -0.31 0.00 -0.26 0.00 0.00 60.65 58.54 1qtw s ILE 256 Cb 0.00 -1.23 -0.08 0.00 1.25 0.00 0.00 42.46 42.40 1qtw s ILE 256 CO 0.00 -0.55 1.45 -2.84 0.24 0.00 0.00 174.94 173.24 1qtw s PRO 257 N -2.62 4.29 -0.32 0.37 0.02 -1.26 -4.01 135.00 131.46 1qtw s PRO 257 Ca 0.03 2.15 -0.02 0.00 0.02 0.00 0.00 61.00 63.17 1qtw s PRO 257 Cb -0.04 -3.28 0.06 0.00 0.02 0.00 0.00 34.50 31.26 1qtw s PRO 257 CO -0.00 -0.51 0.05 -0.51 -0.33 0.00 0.00 177.00 175.69 1qtw s LEU 258 N 1.33 4.18 -0.18 -5.54 1.43 -0.10 -1.43 118.68 118.37 1qtw s LEU 258 Ca 0.66 -1.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.37 1qtw s LEU 258 Cb -0.38 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.10 1qtw s LEU 258 CO 0.30 -0.32 -0.15 -0.63 0.23 0.00 0.00 176.35 175.78 1qtw s ILE 259 N 1.24 2.49 0.14 -0.59 -1.09 -0.05 -0.88 121.20 122.46 1qtw s ILE 259 Ca -0.02 -0.80 -0.30 0.00 -2.23 0.00 0.00 60.65 57.29 1qtw s ILE 259 Cb -0.20 -2.07 -0.07 0.00 -1.58 0.00 0.00 42.46 38.54 1qtw s ILE 259 CO -0.01 0.51 1.25 -0.76 -1.23 0.00 0.00 174.94 174.70 1qtw s LEU 260 N 1.21 4.41 -0.24 2.97 1.43 0.39 -0.55 118.68 128.30 1qtw s LEU 260 Ca 0.02 2.22 0.11 0.00 -1.03 0.00 0.00 54.13 55.45 1qtw s LEU 260 Cb -0.14 -3.60 0.45 0.00 0.03 0.00 0.00 46.19 42.94 1qtw s LEU 260 CO -0.07 -0.48 1.19 -0.62 0.23 0.00 0.00 176.35 176.59 1qtw n GLU 261 N 3.22 2.52 -1.43 1.70 1.02 -1.25 -1.52 120.64 124.90 1qtw n GLU 261 Ca 0.07 -3.68 -0.31 0.00 -0.02 0.00 0.00 57.16 53.23 1qtw n GLU 261 Cb 0.44 -1.84 0.08 0.00 -0.02 0.00 0.00 31.44 30.10 1qtw n GLU 261 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1qtw s THR 262 N -3.77 3.42 -2.47 2.62 -4.23 -1.26 -4.86 115.64 105.09 1qtw s THR 262 Ca 0.43 0.46 0.23 0.00 -1.18 0.00 0.00 61.69 61.63 1qtw s THR 262 Cb 0.39 -3.10 0.42 0.00 1.34 0.00 0.00 72.50 71.54 1qtw s THR 262 CO -0.02 -0.60 1.43 2.30 -0.54 0.00 0.00 174.62 177.19 1qtw n ILE 263 N -3.41 0.39 -3.74 2.99 -6.64 -1.26 -4.58 119.36 103.10 1qtw n ILE 263 Ca 0.08 -0.62 -0.30 0.00 -1.77 0.00 0.00 62.75 60.14 1qtw n ILE 263 Cb 0.54 0.86 -0.14 0.00 -1.44 0.00 0.00 39.64 39.47 1qtw n ILE 263 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 1qtw s ASN 264 N -1.55 3.83 0.61 7.28 3.84 -1.26 -4.99 114.94 122.71 1qtw s ASN 264 Ca 0.36 -2.31 0.38 0.00 0.21 0.00 0.00 52.86 51.50 1qtw s ASN 264 Cb 0.21 -1.02 1.99 0.00 -0.55 0.00 0.00 41.25 41.88 1qtw s ASN 264 CO 0.30 -0.32 2.23 -0.65 -2.79 0.00 0.00 177.10 175.88 1qtw h PRO 265 N 7.17 0.00 0.00 0.43 0.11 -2.02 -2.14 132.00 135.56 1qtw h PRO 265 Ca -0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1qtw h PRO 265 Cb 0.96 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 1qtw h PRO 265 CO 0.48 0.02 -0.01 0.22 -0.21 0.00 0.00 178.00 178.50 1qtw h ASP 266 N 0.00 0.00 -0.32 -2.05 -0.00 -1.98 -2.43 116.42 109.64 1qtw h ASP 266 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1qtw h ASP 266 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.49 1qtw h ASP 266 CO 0.00 0.01 0.00 2.30 -0.00 0.00 0.00 179.24 181.56 1qtw n ILE 267 N -3.22 0.92 -0.33 2.25 -5.35 -0.80 -4.67 119.36 108.15 1qtw n ILE 267 Ca -0.02 -0.96 0.00 0.00 -0.27 0.00 0.00 62.75 61.50 1qtw n ILE 267 Cb 0.14 0.56 0.13 0.00 -1.74 0.00 0.00 39.64 38.73 1qtw n ILE 267 CO 0.00 0.00 0.00 -0.50 -1.76 0.00 0.00 176.55 174.29 1qtw h TRP 268 N 2.01 1.06 -0.83 4.28 6.55 -1.50 0.32 115.95 127.84 1qtw h TRP 268 Ca 0.00 0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.84 1qtw h TRP 268 Cb 0.71 -0.35 -0.04 0.00 -0.86 0.00 0.00 29.16 28.62 1qtw h TRP 268 CO 0.21 0.57 0.41 0.00 -1.05 0.00 0.00 178.44 178.58 1qtw h ALA 269 N 1.39 1.07 -0.47 1.49 0.00 -1.81 0.25 119.26 121.19 1qtw h ALA 269 Ca 0.37 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1qtw h ALA 269 Cb 0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1qtw h ALA 269 CO -0.15 0.63 -0.14 0.93 0.00 0.00 0.00 179.25 180.52 1qtw h GLU 270 N 1.18 0.88 -0.45 0.00 5.08 -1.74 -1.21 114.58 118.32 1qtw h GLU 270 Ca 0.29 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1qtw h GLU 270 Cb 0.11 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1qtw h GLU 270 CO -0.04 0.97 0.00 0.93 -1.00 0.00 0.00 179.01 179.87 1qtw h GLU 271 N 0.79 0.80 -0.36 2.33 5.08 -0.43 -0.50 114.58 122.28 1qtw h GLU 271 Ca 0.12 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1qtw h GLU 271 Cb 0.67 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1qtw h GLU 271 CO 0.05 0.86 0.22 0.82 -1.00 0.00 0.00 179.01 179.95 1qtw h ILE 272 N 0.64 1.12 -0.74 3.13 2.04 -0.87 -0.46 117.51 122.37 1qtw h ILE 272 Ca 0.13 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 1qtw h ILE 272 Cb 0.50 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1qtw h ILE 272 CO 0.02 0.12 0.24 0.00 0.00 0.00 0.00 178.15 178.53 1qtw h ALA 273 N 1.09 1.02 -0.16 1.87 0.00 -1.06 -0.76 119.26 121.26 1qtw h ALA 273 Ca 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1qtw h ALA 273 Cb 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1qtw h ALA 273 CO -0.02 0.66 0.05 2.35 0.00 0.00 0.00 179.25 182.28 1qtw h TRP 274 N 1.09 0.27 -0.42 0.00 7.01 -0.89 -1.48 115.95 121.53 1qtw h TRP 274 Ca 0.24 -0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.26 1qtw h TRP 274 Cb 0.29 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.24 1qtw h TRP 274 CO 0.02 0.38 0.17 -0.07 -2.79 0.00 0.00 178.44 176.16 1qtw h LEU 275 N 0.08 0.21 -0.76 0.65 3.38 -0.82 -1.99 115.31 116.06 1qtw h LEU 275 Ca 0.05 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1qtw h LEU 275 Cb 0.24 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1qtw h LEU 275 CO -0.00 0.16 0.46 0.11 0.09 0.00 0.00 178.44 179.26 1qtw h LYS 276 N 0.35 0.84 0.00 1.13 1.57 -0.97 -2.08 116.57 117.42 1qtw h LYS 276 Ca 0.19 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1qtw h LYS 276 Cb 0.15 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1qtw h LYS 276 CO -0.17 0.56 -0.18 0.00 -0.57 0.00 0.00 179.45 179.09 1qtw h ALA 277 N 1.35 1.62 0.00 3.86 0.00 -0.72 -2.82 119.26 122.55 1qtw h ALA 277 Ca 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1qtw h ALA 277 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1qtw h ALA 277 CO -0.15 0.22 0.00 1.96 0.00 0.00 0.00 179.25 181.29 1qtw h GLN 278 N 0.00 0.00 -0.51 0.00 1.08 -0.66 -2.33 115.11 112.70 1qtw h GLN 278 Ca -0.00 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.24 1qtw h GLN 278 Cb 0.33 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 1qtw h GLN 278 CO 0.02 0.00 0.34 1.96 -0.95 0.00 0.00 178.83 180.20 1qtw h GLN 279 N 0.00 0.49 0.00 1.46 4.20 -1.54 -3.28 115.11 116.45 1qtw h GLN 279 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1qtw h GLN 279 Cb 0.55 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1qtw h GLN 279 CO 0.00 0.32 0.00 0.25 -0.67 0.00 0.00 178.83 178.73 1qtw n THR 280 N -4.47 0.00 -0.85 -0.54 -2.24 -1.09 -4.75 114.28 100.33 1qtw n THR 280 Ca 0.06 -0.45 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 1qtw n THR 280 Cb 0.20 1.07 0.08 0.00 -2.10 0.00 0.00 70.33 69.57 1qtw n THR 280 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qtw n GLU 281 N -0.28 -1.32 -1.63 -0.78 1.02 -0.90 -4.88 120.64 111.87 1qtw n GLU 281 Ca 0.00 -0.58 -0.56 0.00 -0.02 0.00 0.00 57.16 55.99 1qtw n GLU 281 Cb 0.02 -0.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.87 1qtw n GLU 281 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1qtw n LYS 282 N -2.37 0.90 -1.84 3.49 0.00 -1.26 -4.89 118.16 112.18 1qtw n LYS 282 Ca 0.05 0.33 -0.42 0.00 0.00 0.00 0.00 58.31 58.27 1qtw n LYS 282 Cb 0.19 -1.95 -0.03 0.00 0.00 0.00 0.00 35.03 33.24 1qtw n LYS 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qtw s ALA 283 N 1.65 3.85 0.56 3.14 0.00 -1.26 -5.03 121.76 124.66 1qtw s ALA 283 Ca 0.92 1.46 -0.15 0.00 0.00 0.00 0.00 51.96 54.19 1qtw s ALA 283 Cb -1.08 -3.66 -0.06 0.00 0.00 0.00 0.00 23.12 18.32 1qtw s ALA 283 CO 0.57 -0.86 1.01 0.14 0.00 0.00 0.00 175.76 176.62 1qtw s VAL 284 N 1.22 4.49 -2.00 0.00 -7.23 -1.26 -5.18 120.40 110.44 1qtw s VAL 284 Ca 0.72 1.08 0.04 0.00 -1.81 0.00 0.00 61.98 62.01 1qtw s VAL 284 Cb -0.46 -3.72 0.12 0.00 0.56 0.00 0.00 36.38 32.88 1qtw s VAL 284 CO 0.32 -0.80 0.73 0.00 -0.31 0.00 0.00 175.10 175.03