#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qhb s ILE 3 N 0.00 4.84 0.45 -0.61 1.01 -1.26 -5.01 121.20 120.62 1qhb s ILE 3 Ca 0.00 1.69 -0.23 0.00 0.00 0.00 0.00 60.65 62.12 1qhb s ILE 3 Cb 0.00 -4.16 -0.11 0.00 0.01 0.00 0.00 42.46 38.20 1qhb s ILE 3 CO 0.00 -0.03 0.78 -2.65 0.00 0.00 0.00 174.94 173.05 1qhb n PRO 4 N 5.55 0.92 -3.67 2.79 -0.02 -1.26 -4.98 135.00 134.33 1qhb n PRO 4 Ca 0.06 0.34 -0.10 0.00 -2.02 0.00 0.00 63.50 61.77 1qhb n PRO 4 Cb 0.48 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1qhb n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qhb n ALA 5 N -0.83 -1.10 -2.40 3.55 0.00 -1.26 -5.17 120.51 113.29 1qhb n ALA 5 Ca 0.11 -1.31 -0.20 0.00 0.00 0.00 0.00 53.44 52.04 1qhb n ALA 5 Cb 0.40 1.05 -0.11 0.00 0.00 0.00 0.00 19.45 20.80 1qhb n ALA 5 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qhb s ASP 6 N -2.96 2.60 0.23 0.00 -1.08 -1.26 -5.14 116.67 109.05 1qhb s ASP 6 Ca 0.20 -0.94 0.09 0.00 -0.52 0.00 0.00 52.55 51.38 1qhb s ASP 6 Cb -0.03 -0.14 -0.04 0.00 -1.46 0.00 0.00 42.92 41.24 1qhb s ASP 6 CO 0.14 -0.11 -0.05 0.54 0.52 0.00 0.00 175.17 176.22 1qhb s ASN 7 N -3.00 4.41 0.59 -0.34 4.22 -1.26 -5.13 114.94 114.43 1qhb s ASN 7 Ca 0.19 -0.62 -0.06 0.00 -2.14 0.00 0.00 52.86 50.23 1qhb s ASN 7 Cb -0.03 -0.79 0.01 0.00 1.28 0.00 0.00 41.25 41.72 1qhb s ASN 7 CO 0.07 0.05 0.89 -0.76 -2.04 0.00 0.00 177.10 175.31 1qhb s LEU 8 N -3.31 3.24 0.19 3.54 1.43 -1.26 -5.12 118.68 117.38 1qhb s LEU 8 Ca 0.29 0.68 -0.06 0.00 -1.03 0.00 0.00 54.13 54.01 1qhb s LEU 8 Cb -0.07 -3.51 -0.02 0.00 0.03 0.00 0.00 46.19 42.62 1qhb s LEU 8 CO 0.18 -1.07 0.25 0.00 0.23 0.00 0.00 176.35 175.94 1qhb s GLN 9 N -4.98 1.22 0.68 1.70 -2.07 -1.26 -5.14 119.66 109.81 1qhb s GLN 9 Ca 0.54 -1.36 -0.17 0.00 -1.82 0.00 0.00 55.36 52.55 1qhb s GLN 9 Cb -0.11 0.35 -0.01 0.00 -1.09 0.00 0.00 33.01 32.15 1qhb s GLN 9 CO 0.45 -0.44 1.05 -1.13 -1.32 0.00 0.00 175.29 173.90 1qhb n SER 10 N -0.25 0.93 -0.22 12.60 3.41 -1.26 -4.79 113.62 124.05 1qhb n SER 10 Ca -0.03 0.73 -0.02 0.00 -0.26 0.00 0.00 58.87 59.30 1qhb n SER 10 Cb 0.64 -1.44 0.10 0.00 -0.26 0.00 0.00 64.21 63.24 1qhb n SER 10 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1qhb h ARG 11 N 0.07 0.59 -0.56 4.33 9.65 -2.01 -1.58 114.38 124.88 1qhb h ARG 11 Ca -0.48 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 58.41 1qhb h ARG 11 Cb 1.34 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 29.74 1qhb h ARG 11 CO 0.49 0.39 0.29 0.00 2.80 0.00 0.00 179.97 183.94 1qhb h ALA 12 N 1.35 0.73 -0.33 2.80 0.00 -2.00 -0.89 119.26 120.93 1qhb h ALA 12 Ca 0.29 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 1qhb h ALA 12 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1qhb h ALA 12 CO -0.20 -0.06 -0.32 -0.22 0.00 0.00 0.00 179.25 178.45 1qhb h LYS 13 N 0.55 0.72 -0.35 0.00 1.63 -1.83 -2.12 116.57 115.16 1qhb h LYS 13 Ca 0.25 -0.33 -0.11 0.00 -0.85 0.00 0.00 60.65 59.61 1qhb h LYS 13 Cb 0.17 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 1qhb h LYS 13 CO -0.18 0.94 -0.23 0.00 -3.45 0.00 0.00 179.45 176.53 1qhb h ALA 14 N 1.04 0.94 -0.11 5.00 0.00 -0.81 0.29 119.26 125.61 1qhb h ALA 14 Ca 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1qhb h ALA 14 Cb 0.84 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1qhb h ALA 14 CO 0.07 0.61 -0.02 1.03 0.00 0.00 0.00 179.25 180.94 1qhb h SER 15 N 0.60 0.21 -0.09 0.00 0.87 -1.05 -0.49 113.55 113.60 1qhb h SER 15 Ca 0.08 -0.36 0.03 0.00 -1.23 0.00 0.00 61.79 60.32 1qhb h SER 15 Cb 0.71 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.58 1qhb h SER 15 CO 0.05 0.51 -0.13 0.15 -0.53 0.00 0.00 176.83 176.89 1qhb h PHE 16 N -0.11 -0.34 -0.03 2.24 3.57 -1.29 -1.97 116.94 119.02 1qhb h PHE 16 Ca 0.03 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 1qhb h PHE 16 Cb 0.42 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1qhb h PHE 16 CO 0.05 -0.20 -0.33 -0.44 -2.23 0.00 0.00 178.31 175.16 1qhb h ASP 17 N -0.18 0.06 -0.38 0.41 3.32 -0.84 -1.94 116.42 116.86 1qhb h ASP 17 Ca 0.08 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1qhb h ASP 17 Cb 0.29 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1qhb h ASP 17 CO -0.19 0.39 0.13 0.74 -1.72 0.00 0.00 179.24 178.59 1qhb h THR 18 N 0.05 1.21 -0.78 0.35 2.02 -0.67 -0.52 112.91 114.57 1qhb h THR 18 Ca 0.01 -0.66 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 1qhb h THR 18 Cb 0.62 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 1qhb h THR 18 CO 0.05 0.23 0.38 0.03 0.37 0.00 0.00 175.52 176.58 1qhb h ARG 19 N 0.47 1.12 -0.45 6.66 3.08 -1.15 -1.73 114.38 122.38 1qhb h ARG 19 Ca 0.13 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1qhb h ARG 19 Cb 0.23 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1qhb h ARG 19 CO -0.01 0.86 0.19 0.28 -1.07 0.00 0.00 179.97 180.23 1qhb h VAL 20 N 1.10 1.20 -0.91 2.04 2.07 -1.33 -2.25 116.25 118.16 1qhb h VAL 20 Ca 0.27 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.19 1qhb h VAL 20 Cb 0.11 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1qhb h VAL 20 CO -0.03 0.23 0.60 0.00 0.02 0.00 0.00 177.57 178.39 1qhb h ALA 21 N 1.03 1.17 -0.56 1.67 0.00 -0.81 0.15 119.26 121.91 1qhb h ALA 21 Ca 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1qhb h ALA 21 Cb 0.18 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1qhb h ALA 21 CO -0.01 0.53 0.19 0.00 0.00 0.00 0.00 179.25 179.95 1qhb h ALA 22 N 1.35 0.74 -0.58 0.00 0.00 -1.30 0.14 119.26 119.60 1qhb h ALA 22 Ca 0.34 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1qhb h ALA 22 Cb -0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1qhb h ALA 22 CO -0.09 0.38 0.16 0.00 0.00 0.00 0.00 179.25 179.71 1qhb h ALA 23 N 1.05 1.19 -0.59 0.00 0.00 -0.66 -1.42 119.26 118.83 1qhb h ALA 23 Ca 0.18 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1qhb h ALA 23 Cb 0.26 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1qhb h ALA 23 CO -0.01 0.56 -0.04 0.93 0.00 0.00 0.00 179.25 180.70 1qhb h GLU 24 N 0.86 1.07 -0.00 0.00 5.08 -0.42 -0.74 114.58 120.43 1qhb h GLU 24 Ca 0.19 -0.36 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1qhb h GLU 24 Cb 0.28 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1qhb h GLU 24 CO -0.00 1.06 -0.03 1.25 -1.00 0.00 0.00 179.01 180.28 1qhb h LEU 25 N 0.97 -0.10 -0.74 1.33 6.46 -0.47 -0.81 115.31 121.95 1qhb h LEU 25 Ca 0.16 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1qhb h LEU 25 Cb 0.60 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.54 1qhb h LEU 25 CO 0.04 -0.05 0.49 0.00 -0.62 0.00 0.00 178.44 178.29 1qhb h ALA 26 N 0.94 0.95 -0.75 1.25 0.00 -1.17 -2.62 119.26 117.85 1qhb h ALA 26 Ca 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1qhb h ALA 26 Cb 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1qhb h ALA 26 CO -0.04 0.34 0.27 1.25 0.00 0.00 0.00 179.25 181.08 1qhb h LEU 27 N 0.99 1.06 -1.84 0.00 5.85 -0.78 -2.86 115.31 117.74 1qhb h LEU 27 Ca 0.28 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1qhb h LEU 27 Cb -0.09 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.66 1qhb h LEU 27 CO -0.07 0.96 0.00 0.00 -0.34 0.00 0.00 178.44 178.99 1qhb h ALA 28 N 1.18 1.00 0.00 1.25 0.00 -0.80 -2.61 119.26 119.28 1qhb h ALA 28 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1qhb h ALA 28 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1qhb h ALA 28 CO -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 179.25 179.09 1qhb h ARG 29 N 0.00 0.00 0.00 0.00 3.08 -1.24 -3.49 114.38 112.73 1qhb h ARG 29 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qhb h ARG 29 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1qhb h ARG 29 CO 0.00 0.15 0.00 0.41 -1.07 0.00 0.00 179.97 179.46 1qhb n GLY 30 N -0.92 0.19 3.09 0.04 0.00 -0.99 -5.00 105.19 101.61 1qhb n GLY 30 Ca -0.02 -1.79 -0.23 0.00 0.00 0.00 0.00 46.02 43.98 1qhb n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhb s ALA 31 N -2.26 1.20 0.08 4.61 0.00 -1.26 -4.95 121.76 119.18 1qhb s ALA 31 Ca 0.00 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.45 1qhb s ALA 31 Cb 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1qhb s ALA 31 CO 0.00 0.25 -0.06 0.14 0.00 0.00 0.00 175.76 176.09 1qhb s VAL 32 N -0.11 3.66 0.70 0.00 -7.23 -0.72 -5.04 120.40 111.67 1qhb s VAL 32 Ca 0.01 -1.07 -0.12 0.00 -1.81 0.00 0.00 61.98 59.00 1qhb s VAL 32 Cb -0.08 -2.70 0.02 0.00 0.56 0.00 0.00 36.38 34.18 1qhb s VAL 32 CO 0.00 0.17 1.07 -2.16 -0.31 0.00 0.00 175.10 173.88 1qhb s PRO 33 N -2.09 2.77 -0.15 4.82 0.04 -1.26 -4.51 135.00 134.63 1qhb s PRO 33 Ca 0.22 1.07 -0.01 0.00 0.04 0.00 0.00 61.00 62.32 1qhb s PRO 33 Cb -0.11 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1qhb s PRO 33 CO 0.14 -1.24 -0.11 -1.12 0.04 0.00 0.00 177.00 174.72 1qhb s SER 34 N -3.49 4.13 -0.15 6.66 0.01 -1.26 -4.79 113.70 114.82 1qhb s SER 34 Ca 0.60 -0.32 -0.04 0.00 1.31 0.00 0.00 55.95 57.50 1qhb s SER 34 Cb -0.16 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.39 1qhb s SER 34 CO 0.52 0.14 -0.00 -0.36 0.41 0.00 0.00 173.24 173.95 1qhb s PHE 35 N 0.52 3.11 0.70 2.43 0.08 -1.26 -5.09 117.98 118.48 1qhb s PHE 35 Ca -0.07 -0.10 -0.03 0.00 0.12 0.00 0.00 56.93 56.84 1qhb s PHE 35 Cb -0.15 -1.96 0.10 0.00 -0.57 0.00 0.00 43.02 40.43 1qhb s PHE 35 CO 0.04 0.11 0.98 0.00 -0.10 0.00 0.00 175.22 176.25 1qhb s ALA 36 N 0.15 3.47 -1.31 5.36 0.00 -1.26 -3.19 121.76 124.98 1qhb s ALA 36 Ca 0.01 -1.39 0.28 0.00 0.00 0.00 0.00 51.96 50.86 1qhb s ALA 36 Cb -0.13 -2.24 1.02 0.00 0.00 0.00 0.00 23.12 21.76 1qhb s ALA 36 CO 0.02 -1.36 1.75 0.27 0.00 0.00 0.00 175.76 176.44 1qhb n ASN 37 N -2.84 0.38 0.00 0.00 0.23 -1.26 -4.83 115.26 106.94 1qhb n ASN 37 Ca 0.12 -0.22 0.00 0.00 -0.53 0.00 0.00 54.58 53.95 1qhb n ASN 37 Cb 0.60 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 1qhb n ASN 37 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qhb n GLY 38 N 1.40 0.73 0.12 4.83 0.00 -1.26 -4.95 105.19 106.06 1qhb n GLY 38 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 1qhb n GLY 38 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qhb h GLU 39 N 4.02 0.00 -0.87 1.61 5.08 -1.97 -3.32 114.58 119.14 1qhb h GLU 39 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 1qhb h GLU 39 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 1qhb h GLU 39 CO 0.00 0.68 -0.40 1.49 -1.00 0.00 0.00 179.01 179.79 1qhb h GLU 40 N 0.00 -0.06 -0.06 2.33 4.81 -1.92 -2.28 114.58 117.40 1qhb h GLU 40 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qhb h GLU 40 Cb 1.33 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1qhb h GLU 40 CO 0.09 -0.04 0.00 1.28 -0.73 0.00 0.00 179.01 179.61 1qhb n LEU 41 N -5.44 2.97 0.14 1.64 4.77 -1.26 -4.39 117.00 115.42 1qhb n LEU 41 Ca 0.07 -1.04 -0.06 0.00 -0.03 0.00 0.00 56.01 54.96 1qhb n LEU 41 Cb 0.37 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1qhb n LEU 41 CO -0.09 0.51 0.38 0.25 -1.33 0.00 0.00 177.39 177.11 1qhb h LEU 42 N 4.52 -0.31 -9.73 2.23 5.85 -1.50 -3.44 115.31 112.93 1qhb h LEU 42 Ca 0.00 0.01 -0.53 0.00 0.84 0.00 0.00 57.88 58.21 1qhb h LEU 42 Cb 0.96 0.08 0.07 0.00 0.37 0.00 0.00 40.66 42.15 1qhb h LEU 42 CO 0.00 -0.17 0.96 -1.22 -0.34 0.00 0.00 178.44 177.67 1qhb n TYR 43 N -3.22 2.83 -4.39 1.25 4.01 -1.25 -4.96 117.16 111.44 1qhb n TYR 43 Ca -0.04 0.13 -0.25 0.00 -0.16 0.00 0.00 57.90 57.58 1qhb n TYR 43 Cb 0.14 -2.64 -0.12 0.00 -0.31 0.00 0.00 39.34 36.41 1qhb n TYR 43 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1qhb s ARG 44 N 0.35 1.42 -0.18 -0.72 1.81 -1.26 -2.48 118.95 117.89 1qhb s ARG 44 Ca 0.70 -1.46 -0.24 0.00 -1.72 0.00 0.00 55.73 53.00 1qhb s ARG 44 Cb -0.49 -1.67 -0.02 0.00 -0.45 0.00 0.00 34.95 32.32 1qhb s ARG 44 CO 0.40 0.36 0.79 1.21 -0.68 0.00 0.00 175.30 177.38 1qhb s ASN 45 N -2.60 6.89 0.32 0.23 3.84 0.16 -4.68 114.94 119.10 1qhb s ASN 45 Ca 0.18 1.09 0.02 0.00 0.21 0.00 0.00 52.86 54.36 1qhb s ASN 45 Cb -0.07 -2.43 0.59 0.00 -0.55 0.00 0.00 41.25 38.78 1qhb s ASN 45 CO 0.08 -0.38 1.92 0.28 -2.79 0.00 0.00 177.10 176.22 1qhb h SER 46 N 7.39 0.84 0.01 -4.21 0.02 -1.95 0.80 113.55 116.45 1qhb h SER 46 Ca -0.29 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1qhb h SER 46 Cb 1.13 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1qhb h SER 46 CO 0.83 0.54 -0.00 -0.33 -1.14 0.00 0.00 176.83 176.72 1qhb h GLU 47 N 0.95 -0.01 0.00 3.45 5.08 -1.97 -3.37 114.58 118.72 1qhb h GLU 47 Ca 0.37 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.57 1qhb h GLU 47 Cb 0.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1qhb h GLU 47 CO -0.13 0.71 -1.34 1.79 -1.00 0.00 0.00 179.01 179.04 1qhb h THR 48 N -0.75 0.49 0.00 1.13 1.35 -1.99 -3.48 112.91 109.67 1qhb h THR 48 Ca -0.00 -1.96 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 1qhb h THR 48 Cb 0.73 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1qhb h THR 48 CO 0.00 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.16 1qhb n GLY 49 N 1.37 1.30 3.85 5.82 0.00 0.27 -5.03 105.19 112.78 1qhb n GLY 49 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1qhb n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qhb s ASP 50 N -3.06 5.38 0.37 1.61 1.01 -1.25 -4.60 116.67 116.13 1qhb s ASP 50 Ca 0.00 1.31 -0.27 0.00 0.71 0.00 0.00 52.55 54.30 1qhb s ASP 50 Cb 0.00 -2.16 -0.09 0.00 1.01 0.00 0.00 42.92 41.67 1qhb s ASP 50 CO 0.00 -1.40 1.23 -2.16 0.21 0.00 0.00 175.17 173.05 1qhb s PRO 51 N -5.22 4.19 -0.02 8.23 0.04 -1.26 0.39 135.00 141.35 1qhb s PRO 51 Ca 0.58 2.03 0.22 0.00 0.04 0.00 0.00 61.00 63.87 1qhb s PRO 51 Cb -0.12 -2.87 -0.31 0.00 0.04 0.00 0.00 34.50 31.23 1qhb s PRO 51 CO 0.53 -0.26 0.51 -1.13 0.04 0.00 0.00 177.00 176.69 1qhb n SER 52 N 0.44 0.06 -1.77 6.66 3.41 -1.03 -4.67 113.62 116.71 1qhb n SER 52 Ca 0.02 0.02 -0.17 0.00 -0.26 0.00 0.00 58.87 58.49 1qhb n SER 52 Cb 0.44 1.85 -0.02 0.00 -0.26 0.00 0.00 64.21 66.22 1qhb n SER 52 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1qhb n PHE 53 N -2.31 -0.60 0.27 7.33 3.72 -1.26 -4.41 117.46 120.20 1qhb n PHE 53 Ca -0.05 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.51 1qhb n PHE 53 Cb 0.59 -3.29 0.69 0.00 -0.94 0.00 0.00 39.48 36.54 1qhb n PHE 53 CO 0.00 0.00 0.00 -0.84 -0.05 0.00 0.00 176.76 175.87 1qhb h ILE 54 N 0.00 0.13 -0.63 4.37 3.07 -1.89 -2.27 117.51 120.28 1qhb h ILE 54 Ca -0.39 -0.58 0.00 0.00 1.55 0.00 0.00 64.86 65.45 1qhb h ILE 54 Cb 1.25 1.50 0.00 0.00 -0.27 0.00 0.00 36.82 39.30 1qhb h ILE 54 CO 0.48 0.04 0.00 0.61 -1.05 0.00 0.00 178.15 178.24 1qhb n GLY 55 N -0.08 2.06 3.56 0.16 0.00 -1.26 -4.95 105.19 104.68 1qhb n GLY 55 Ca 0.00 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 1qhb n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qhb s SER 56 N -0.98 4.12 -0.14 1.61 0.01 -0.86 -3.49 113.70 113.99 1qhb s SER 56 Ca 0.43 -0.74 -0.29 0.00 1.31 0.00 0.00 55.95 56.66 1qhb s SER 56 Cb 0.23 -0.62 -0.04 0.00 0.21 0.00 0.00 66.02 65.80 1qhb s SER 56 CO 0.28 0.05 1.60 0.12 0.41 0.00 0.00 173.24 175.70 1qhb s PHE 57 N -2.14 2.12 -0.06 2.43 5.36 -0.15 -4.23 117.98 121.32 1qhb s PHE 57 Ca 0.28 0.44 0.09 0.00 -0.96 0.00 0.00 56.93 56.78 1qhb s PHE 57 Cb -0.07 -3.89 0.14 0.00 -0.34 0.00 0.00 43.02 38.87 1qhb s PHE 57 CO 0.16 -3.22 1.07 0.25 -1.46 0.00 0.00 175.22 172.02 1qhb n THR 58 N 5.86 0.86 -1.70 0.12 -2.24 -1.26 -4.93 114.28 110.99 1qhb n THR 58 Ca 0.18 -1.07 -0.43 0.00 -2.27 0.00 0.00 64.05 60.45 1qhb n THR 58 Cb 0.44 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 1qhb n THR 58 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1qhb n LYS 59 N -0.63 2.66 0.00 -0.78 4.81 -1.26 -1.64 118.16 121.32 1qhb n LYS 59 Ca 0.07 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.48 1qhb n LYS 59 Cb 0.68 -2.82 0.00 0.00 0.02 0.00 0.00 35.03 32.92 1qhb n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qhb n GLY 60 N 4.00 2.08 3.81 3.14 0.00 0.42 -4.97 105.19 113.66 1qhb n GLY 60 Ca 0.17 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1qhb n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qhb s LEU 61 N 0.00 4.26 0.12 0.99 1.43 -0.65 -0.55 118.68 124.28 1qhb s LEU 61 Ca 0.00 1.57 -0.33 0.00 -1.03 0.00 0.00 54.13 54.34 1qhb s LEU 61 Cb 0.00 -3.91 -0.12 0.00 0.03 0.00 0.00 46.19 42.19 1qhb s LEU 61 CO 0.00 -0.08 1.75 -2.65 0.23 0.00 0.00 176.35 175.60 1qhb n PRO 62 N 0.36 2.53 -4.19 1.29 -0.02 -1.26 -4.61 135.00 129.09 1qhb n PRO 62 Ca 0.01 0.92 -0.26 0.00 -2.02 0.00 0.00 63.50 62.15 1qhb n PRO 62 Cb 0.51 -2.76 -0.07 0.00 -0.02 0.00 0.00 33.50 31.16 1qhb n PRO 62 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1qhb s HIS 63 N 2.10 2.89 0.36 6.00 3.76 -1.26 -2.16 115.29 126.98 1qhb s HIS 63 Ca 0.81 -0.13 -0.04 0.00 -0.15 0.00 0.00 55.06 55.55 1qhb s HIS 63 Cb -0.57 -1.38 0.08 0.00 1.11 0.00 0.00 32.58 31.82 1qhb s HIS 63 CO 0.38 0.53 0.49 -0.40 -0.85 0.00 0.00 174.74 174.89 1qhb n ASP 64 N -0.33 0.26 0.08 1.40 5.68 0.63 -4.80 116.55 119.47 1qhb n ASP 64 Ca -0.09 -1.31 0.10 0.00 -0.50 0.00 0.00 54.79 52.99 1qhb n ASP 64 Cb 0.56 -0.35 0.41 0.00 -1.14 0.00 0.00 41.12 40.60 1qhb n ASP 64 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1qhb n ASP 65 N -3.19 0.40 -0.68 -1.12 8.00 -1.26 -1.90 116.55 116.79 1qhb n ASP 65 Ca 0.07 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.29 1qhb n ASP 65 Cb 0.24 -0.68 0.10 0.00 -0.02 0.00 0.00 41.12 40.76 1qhb n ASP 65 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1qhb n ASN 66 N -1.94 2.35 0.00 -2.24 5.03 -1.26 -4.95 115.26 112.25 1qhb n ASN 66 Ca 0.02 -1.69 0.00 0.00 0.87 0.00 0.00 54.58 53.79 1qhb n ASN 66 Cb 0.20 0.21 0.00 0.00 -1.02 0.00 0.00 39.78 39.17 1qhb n ASN 66 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qhb n GLY 67 N 1.37 0.76 3.88 7.41 0.00 -0.80 -4.85 105.19 112.96 1qhb n GLY 67 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1qhb n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhb s ALA 68 N -2.29 3.66 0.53 4.61 0.00 -1.26 -4.76 121.76 122.24 1qhb s ALA 68 Ca 0.00 -0.38 -0.20 0.00 0.00 0.00 0.00 51.96 51.38 1qhb s ALA 68 Cb 0.00 -2.32 -0.06 0.00 0.00 0.00 0.00 23.12 20.74 1qhb s ALA 68 CO 0.00 0.57 1.14 0.96 0.00 0.00 0.00 175.76 178.43 1qhb s ILE 69 N -1.73 3.11 0.09 0.00 -4.36 -1.26 -0.27 121.20 116.78 1qhb s ILE 69 Ca 0.44 0.71 -0.11 0.00 -0.26 0.00 0.00 60.65 61.44 1qhb s ILE 69 Cb -0.12 -3.30 -0.23 0.00 1.25 0.00 0.00 42.46 40.06 1qhb s ILE 69 CO 0.22 -0.12 1.20 0.40 0.24 0.00 0.00 174.94 176.88 1qhb h ILE 70 N 1.30 1.33 -3.25 8.37 2.04 -1.75 -3.44 117.51 122.11 1qhb h ILE 70 Ca -0.50 -2.40 -0.50 0.00 1.00 0.00 0.00 64.86 62.46 1qhb h ILE 70 Cb 1.26 2.50 -0.38 0.00 -0.74 0.00 0.00 36.82 39.46 1qhb h ILE 70 CO 0.57 0.73 -0.78 -0.62 0.00 0.00 0.00 178.15 178.05 1qhb s ASP 71 N -7.26 2.22 0.50 1.72 -1.08 -1.26 -5.00 116.67 106.52 1qhb s ASP 71 Ca -0.08 -0.38 0.19 0.00 -0.52 0.00 0.00 52.55 51.75 1qhb s ASP 71 Cb 0.07 -0.67 1.27 0.00 -1.46 0.00 0.00 42.92 42.13 1qhb s ASP 71 CO 0.91 -0.19 2.10 1.55 0.52 0.00 0.00 175.17 180.06 1qhb h PRO 72 N 8.23 0.00 0.00 4.34 0.13 -1.87 0.11 132.00 142.94 1qhb h PRO 72 Ca -0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 1qhb h PRO 72 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1qhb h PRO 72 CO 0.34 0.08 -0.06 -0.44 -0.23 0.00 0.00 178.00 177.69 1qhb h ASP 73 N 0.00 0.00 -0.44 1.44 3.32 -1.96 -1.92 116.42 116.86 1qhb h ASP 73 Ca -0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1qhb h ASP 73 Cb 0.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1qhb h ASP 73 CO 0.01 0.06 -0.10 0.44 -1.72 0.00 0.00 179.24 177.93 1qhb h ASP 74 N 0.00 0.89 -0.11 6.45 3.32 -1.20 -0.50 116.42 125.28 1qhb h ASP 74 Ca -0.00 -0.28 -0.16 0.00 0.02 0.00 0.00 57.03 56.61 1qhb h ASP 74 Cb 0.20 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.51 1qhb h ASP 74 CO 0.01 1.01 -0.55 0.15 -1.72 0.00 0.00 179.24 178.14 1qhb h PHE 75 N 0.81 0.76 -0.37 4.55 3.57 -1.47 -2.38 116.94 122.40 1qhb h PHE 75 Ca 0.13 -0.34 -0.07 0.00 3.53 0.00 0.00 57.97 61.23 1qhb h PHE 75 Cb 0.62 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1qhb h PHE 75 CO 0.04 1.12 -0.05 -0.07 -2.23 0.00 0.00 178.31 177.12 1qhb h LEU 76 N 0.17 0.58 -0.82 0.59 3.38 -1.33 -0.54 115.31 117.35 1qhb h LEU 76 Ca -0.04 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1qhb h LEU 76 Cb 1.19 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1qhb h LEU 76 CO 0.11 0.69 -0.34 0.00 0.09 0.00 0.00 178.44 179.00 1qhb h ALA 77 N 1.38 0.99 -0.57 1.53 0.00 -1.08 -2.39 119.26 119.12 1qhb h ALA 77 Ca 0.11 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1qhb h ALA 77 Cb 0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1qhb h ALA 77 CO 0.02 0.60 0.01 0.35 0.00 0.00 0.00 179.25 180.24 1qhb h PHE 78 N 0.42 1.08 -0.55 0.00 3.57 -0.79 -1.46 116.94 119.19 1qhb h PHE 78 Ca 0.05 -0.18 -0.08 0.00 3.53 0.00 0.00 57.97 61.29 1qhb h PHE 78 Cb 0.79 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1qhb h PHE 78 CO 0.03 0.96 0.05 0.28 -2.23 0.00 0.00 178.31 177.40 1qhb h VAL 79 N 0.88 1.26 -0.59 1.41 2.07 -1.00 -1.63 116.25 118.65 1qhb h VAL 79 Ca 0.16 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 1qhb h VAL 79 Cb 0.53 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1qhb h VAL 79 CO 0.03 0.38 0.35 0.03 0.02 0.00 0.00 177.57 178.38 1qhb h ARG 80 N 0.83 0.80 -0.89 1.57 3.08 -1.21 -2.47 114.38 116.10 1qhb h ARG 80 Ca 0.16 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1qhb h ARG 80 Cb 0.47 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1qhb h ARG 80 CO 0.02 0.57 0.52 0.00 -1.07 0.00 0.00 179.97 180.01 1qhb h ALA 81 N 1.18 1.24 -0.37 0.04 0.00 -1.03 -1.89 119.26 118.44 1qhb h ALA 81 Ca 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1qhb h ALA 81 Cb -0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1qhb h ALA 81 CO -0.04 0.64 0.23 0.82 0.00 0.00 0.00 179.25 180.89 1qhb h ILE 82 N 1.23 1.11 0.00 0.00 2.04 -0.94 -0.95 117.51 120.00 1qhb h ILE 82 Ca 0.32 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 1qhb h ILE 82 Cb -0.03 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1qhb h ILE 82 CO -0.06 0.11 -0.16 0.78 0.00 0.00 0.00 178.15 178.83 1qhb h ASN 83 N 0.49 0.00 0.05 1.72 2.35 -1.18 -3.33 115.58 115.67 1qhb h ASN 83 Ca 0.13 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.50 1qhb h ASN 83 Cb -0.02 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.30 1qhb h ASN 83 CO -0.03 0.16 -2.30 -1.54 -1.65 0.00 0.00 177.43 172.07 1qhb n SER 84 N -3.29 2.03 0.00 5.81 3.41 -0.73 -4.99 113.62 115.86 1qhb n SER 84 Ca 0.01 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1qhb n SER 84 Cb 0.41 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1qhb n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qhb n GLY 85 N 2.16 1.39 3.66 5.00 0.00 -0.38 -4.97 105.19 112.05 1qhb n GLY 85 Ca -0.41 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1qhb n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qhb s ASP 86 N -3.20 6.48 0.24 1.61 2.15 -1.26 -4.90 116.67 117.79 1qhb s ASP 86 Ca 0.00 2.62 -0.06 0.00 0.43 0.00 0.00 52.55 55.54 1qhb s ASP 86 Cb 0.00 -2.54 0.31 0.00 -0.30 0.00 0.00 42.92 40.40 1qhb s ASP 86 CO 0.00 -1.02 1.85 -0.33 -0.17 0.00 0.00 175.17 175.50 1qhb h GLU 87 N 10.12 0.94 -0.60 4.34 3.07 -1.96 -1.39 114.58 129.10 1qhb h GLU 87 Ca -0.47 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.24 1qhb h GLU 87 Cb 1.23 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.90 1qhb h GLU 87 CO 0.94 0.62 0.01 0.87 -1.40 0.00 0.00 179.01 180.06 1qhb h LYS 88 N 0.97 1.04 -0.73 2.33 1.57 -1.99 -1.51 116.57 118.24 1qhb h LYS 88 Ca 0.36 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1qhb h LYS 88 Cb 0.14 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1qhb h LYS 88 CO -0.16 1.01 0.26 1.49 -0.57 0.00 0.00 179.45 181.48 1qhb h GLU 89 N 0.95 1.10 -0.68 3.15 4.81 -1.85 -1.39 114.58 120.68 1qhb h GLU 89 Ca 0.17 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 1qhb h GLU 89 Cb 0.53 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1qhb h GLU 89 CO 0.03 0.91 0.15 0.82 -0.73 0.00 0.00 179.01 180.19 1qhb h ILE 90 N 1.07 1.26 0.00 2.32 2.04 -0.94 -2.86 117.51 120.40 1qhb h ILE 90 Ca 0.24 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 1qhb h ILE 90 Cb 0.25 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1qhb h ILE 90 CO -0.02 0.37 -0.29 0.00 0.00 0.00 0.00 178.15 178.22 1qhb h ALA 91 N 1.13 1.15 -0.00 1.87 0.00 -0.69 -2.72 119.26 120.00 1qhb h ALA 91 Ca 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1qhb h ALA 91 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1qhb h ALA 91 CO 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 179.25 179.59 1qhb n ALA 92 N -2.32 2.66 -1.36 0.00 0.00 -0.58 -4.90 120.51 114.02 1qhb n ALA 92 Ca -0.01 -0.26 -0.31 0.00 0.00 0.00 0.00 53.44 52.87 1qhb n ALA 92 Cb 0.41 -1.41 0.09 0.00 0.00 0.00 0.00 19.45 18.53 1qhb n ALA 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qhb s LEU 93 N -2.14 2.91 -0.27 0.00 1.43 -1.03 -5.00 118.68 114.58 1qhb s LEU 93 Ca 0.41 1.68 -0.21 0.00 -1.03 0.00 0.00 54.13 54.97 1qhb s LEU 93 Cb 0.21 -4.38 -0.01 0.00 0.03 0.00 0.00 46.19 42.05 1qhb s LEU 93 CO 0.39 -1.97 0.69 -0.89 0.23 0.00 0.00 176.35 174.80 1qhb s THR 94 N -2.97 4.92 -0.09 5.49 2.01 -1.26 -5.05 115.64 118.70 1qhb s THR 94 Ca 0.61 1.16 0.01 0.00 0.31 0.00 0.00 61.69 63.78 1qhb s THR 94 Cb -0.16 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.35 1qhb s THR 94 CO 0.56 -0.07 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.09 1qhb s LEU 95 N 2.65 1.53 0.00 4.42 2.96 -1.26 -4.56 118.68 124.42 1qhb s LEU 95 Ca 0.28 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 1qhb s LEU 95 Cb -0.15 -0.88 0.00 0.00 0.50 0.00 0.00 46.19 45.66 1qhb s LEU 95 CO 0.10 -0.01 0.00 0.61 -1.32 0.00 0.00 176.35 175.72 1qhb n GLY 96 N 4.20 -1.49 3.94 7.98 0.00 0.29 -5.00 105.19 115.11 1qhb n GLY 96 Ca -0.19 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 1qhb n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qhb s PRO 97 N -1.35 0.97 0.30 1.61 0.04 -1.26 -4.34 135.00 130.97 1qhb s PRO 97 Ca 0.00 -0.51 -0.28 0.00 0.04 0.00 0.00 61.00 60.24 1qhb s PRO 97 Cb 0.00 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.45 1qhb s PRO 97 CO 0.00 -2.14 1.15 0.00 0.04 0.00 0.00 177.00 176.05 1qhb n ALA 98 N -3.53 0.44 -2.84 8.56 0.00 -1.26 -4.67 120.51 117.19 1qhb n ALA 98 Ca 0.15 0.38 -0.26 0.00 0.00 0.00 0.00 53.44 53.71 1qhb n ALA 98 Cb 0.60 -2.13 -0.05 0.00 0.00 0.00 0.00 19.45 17.87 1qhb n ALA 98 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1qhb s ARG 99 N -1.57 3.06 -0.13 0.00 0.52 -1.26 -0.72 118.95 118.85 1qhb s ARG 99 Ca 0.58 -0.82 -0.29 0.00 -0.52 0.00 0.00 55.73 54.68 1qhb s ARG 99 Cb -0.65 -2.73 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 1qhb s ARG 99 CO 0.60 0.48 1.21 0.34 0.02 0.00 0.00 175.30 177.95 1qhb s ASP 100 N -3.25 7.01 0.31 0.23 2.15 0.38 -4.87 116.67 118.63 1qhb s ASP 100 Ca 0.32 1.71 0.06 0.00 0.43 0.00 0.00 52.55 55.07 1qhb s ASP 100 Cb -0.10 -2.55 0.72 0.00 -0.30 0.00 0.00 42.92 40.69 1qhb s ASP 100 CO 0.25 -0.67 1.81 -0.65 -0.17 0.00 0.00 175.17 175.74 1qhb h PRO 101 N 7.82 0.78 0.11 4.34 0.11 -1.94 0.59 132.00 143.81 1qhb h PRO 101 Ca -0.29 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 65.60 1qhb h PRO 101 Cb 1.12 -0.18 0.02 0.00 0.11 0.00 0.00 31.00 32.08 1qhb h PRO 101 CO 0.93 0.51 -0.75 0.93 -0.21 0.00 0.00 178.00 179.42 1qhb h GLU 102 N 0.80 0.30 0.00 1.05 3.07 -1.97 -3.37 114.58 114.46 1qhb h GLU 102 Ca 0.53 -0.48 -0.30 0.00 -0.50 0.00 0.00 59.36 58.61 1qhb h GLU 102 Cb 0.77 0.17 -0.05 0.00 -0.84 0.00 0.00 28.75 28.80 1qhb h GLU 102 CO -0.30 1.21 -1.79 0.25 -1.40 0.00 0.00 179.01 176.98 1qhb n THR 103 N -4.16 1.56 0.00 1.13 -2.24 -1.16 -4.97 114.28 104.44 1qhb n THR 103 Ca -0.13 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 1qhb n THR 103 Cb 0.79 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1qhb n THR 103 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qhb n GLY 104 N 1.57 2.13 3.78 3.38 0.00 0.21 -5.02 105.19 111.24 1qhb n GLY 104 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1qhb n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qhb s LEU 105 N 0.00 4.20 0.57 0.99 1.43 -1.26 -4.57 118.68 120.04 1qhb s LEU 105 Ca 0.00 2.12 -0.21 0.00 -1.03 0.00 0.00 54.13 55.01 1qhb s LEU 105 Cb 0.00 -4.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.09 1qhb s LEU 105 CO 0.00 -0.49 1.36 -2.84 0.23 0.00 0.00 176.35 174.61 1qhb s PRO 106 N -2.33 2.99 -0.37 1.29 0.02 -1.26 -0.47 135.00 134.87 1qhb s PRO 106 Ca 0.56 2.23 -0.13 0.00 0.02 0.00 0.00 61.00 63.68 1qhb s PRO 106 Cb -0.25 -2.17 -0.00 0.00 0.02 0.00 0.00 34.50 32.10 1qhb s PRO 106 CO 0.31 -1.31 0.25 0.42 -0.33 0.00 0.00 177.00 176.35 1qhb s ILE 107 N -1.30 5.18 0.52 2.83 1.01 0.10 -4.79 121.20 124.73 1qhb s ILE 107 Ca 0.74 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.95 1qhb s ILE 107 Cb -0.41 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.32 1qhb s ILE 107 CO 0.47 -0.13 0.76 0.26 0.00 0.00 0.00 174.94 176.30 1qhb s TRP 108 N 1.69 3.10 -0.02 3.97 0.52 -1.26 -4.61 118.94 122.33 1qhb s TRP 108 Ca 0.05 0.23 -0.06 0.00 0.02 0.00 0.00 56.10 56.35 1qhb s TRP 108 Cb -0.18 -2.56 -0.29 0.00 -1.15 0.00 0.00 33.47 29.29 1qhb s TRP 108 CO 0.10 -0.64 0.77 0.00 0.02 0.00 0.00 176.95 177.20 1qhb h ARG 109 N 0.16 0.30 -6.69 4.98 3.08 -1.97 -3.46 114.38 110.77 1qhb h ARG 109 Ca -0.45 -0.51 -0.50 0.00 0.07 0.00 0.00 59.98 58.59 1qhb h ARG 109 Cb 1.27 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.49 1qhb h ARG 109 CO 0.56 1.18 0.06 -1.54 -1.07 0.00 0.00 179.97 179.16 1qhb s SER 110 N -7.08 6.72 0.18 7.04 1.04 -1.26 -4.97 113.70 115.37 1qhb s SER 110 Ca -0.12 1.20 -0.11 0.00 0.48 0.00 0.00 55.95 57.40 1qhb s SER 110 Cb 0.06 -2.34 0.09 0.00 0.10 0.00 0.00 66.02 63.93 1qhb s SER 110 CO 0.85 -0.21 1.72 0.44 0.98 0.00 0.00 173.24 177.02 1qhb h ASP 111 N 2.18 0.91 -0.16 7.02 3.32 -1.96 -1.84 116.42 125.88 1qhb h ASP 111 Ca -0.48 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 56.42 1qhb h ASP 111 Cb 1.18 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.44 1qhb h ASP 111 CO 0.66 0.86 -0.11 0.25 -1.72 0.00 0.00 179.24 179.18 1qhb h LEU 112 N 0.90 -0.37 -0.53 1.55 5.85 -1.97 0.38 115.31 121.13 1qhb h LEU 112 Ca 0.21 0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.85 1qhb h LEU 112 Cb 0.27 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1qhb h LEU 112 CO -0.01 -0.15 -0.44 0.00 -0.34 0.00 0.00 178.44 177.50 1qhb h ALA 113 N 1.00 0.71 -0.37 1.25 0.00 -1.92 -2.59 119.26 117.34 1qhb h ALA 113 Ca 0.10 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1qhb h ALA 113 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qhb h ALA 113 CO -0.23 0.67 -0.17 -0.91 0.00 0.00 0.00 179.25 178.60 1qhb h ASN 114 N 0.56 0.79 0.16 0.00 2.35 -1.03 -2.80 115.58 115.60 1qhb h ASN 114 Ca 0.04 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.37 1qhb h ASN 114 Cb 0.99 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.14 1qhb h ASN 114 CO 0.09 1.02 -0.05 0.77 -1.65 0.00 0.00 177.43 177.61 1qhb h SER 115 N 0.56 0.00 -0.07 5.81 4.64 -0.09 -0.75 113.55 123.65 1qhb h SER 115 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1qhb h SER 115 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1qhb h SER 115 CO 0.05 0.05 0.00 0.18 -0.87 0.00 0.00 176.83 176.25 1qhb n LEU 116 N -3.76 2.58 -3.92 5.97 4.77 -0.99 -4.97 117.00 116.69 1qhb n LEU 116 Ca -0.02 -0.90 -0.29 0.00 -0.03 0.00 0.00 56.01 54.76 1qhb n LEU 116 Cb 0.15 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1qhb n LEU 116 CO 0.29 0.45 0.04 0.47 -1.33 0.00 0.00 177.39 177.31 1qhb n ASP 117 N 1.00 -3.72 -4.76 -1.43 8.00 -0.29 -4.88 116.55 110.47 1qhb n ASP 117 Ca 0.16 -0.83 -0.38 0.00 0.71 0.00 0.00 54.79 54.45 1qhb n ASP 117 Cb 0.52 -3.73 0.03 0.00 -0.02 0.00 0.00 41.12 37.91 1qhb n ASP 117 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qhb s LEU 118 N -7.16 3.93 0.56 0.64 1.43 -1.08 -5.02 118.68 111.98 1qhb s LEU 118 Ca 0.52 2.67 0.08 0.00 -1.03 0.00 0.00 54.13 56.36 1qhb s LEU 118 Cb -0.26 -4.22 0.07 0.00 0.03 0.00 0.00 46.19 41.81 1qhb s LEU 118 CO 0.84 -1.35 0.65 -1.61 0.23 0.00 0.00 176.35 175.11 1qhb s GLU 119 N -2.79 2.30 0.45 1.70 0.41 -1.26 -4.57 118.70 114.93 1qhb s GLU 119 Ca 0.68 -1.77 -0.06 0.00 -0.41 0.00 0.00 54.97 53.41 1qhb s GLU 119 Cb -0.38 -2.45 -0.04 0.00 -1.78 0.00 0.00 34.13 29.48 1qhb s GLU 119 CO 0.45 -0.76 0.75 0.14 -0.49 0.00 0.00 175.26 175.35 1qhb s VAL 120 N -2.70 4.91 0.11 2.63 -7.23 -1.26 -0.87 120.40 115.98 1qhb s VAL 120 Ca 0.52 0.22 0.10 0.00 -1.81 0.00 0.00 61.98 61.01 1qhb s VAL 120 Cb -0.04 -3.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.03 1qhb s VAL 120 CO 0.32 -0.73 -0.27 0.00 -0.31 0.00 0.00 175.10 174.11 1qhb s ARG 121 N -4.47 1.48 0.33 4.82 1.70 -0.89 -4.78 118.95 117.14 1qhb s ARG 121 Ca 0.47 -1.29 0.07 0.00 -0.47 0.00 0.00 55.73 54.52 1qhb s ARG 121 Cb -0.10 -1.89 -0.02 0.00 -0.57 0.00 0.00 34.95 32.37 1qhb s ARG 121 CO 0.41 0.46 0.38 0.20 -1.08 0.00 0.00 175.30 175.66 1qhb s GLY 122 N -1.87 1.68 0.38 3.88 0.00 -1.26 -4.89 107.32 105.24 1qhb s GLY 122 Ca 0.13 -1.55 -0.28 0.00 0.00 0.00 0.00 44.72 43.02 1qhb s GLY 122 CO 0.05 -1.48 1.39 -0.98 0.00 0.00 0.00 173.10 172.08 1qhb s TRP 123 N -2.24 2.76 -0.48 1.90 0.51 -1.26 -4.81 118.94 115.32 1qhb s TRP 123 Ca 0.43 1.30 -0.20 0.00 -2.12 0.00 0.00 56.10 55.51 1qhb s TRP 123 Cb -0.08 -3.84 0.04 0.00 -0.81 0.00 0.00 33.47 28.79 1qhb s TRP 123 CO 0.29 -2.46 0.65 -1.21 -0.51 0.00 0.00 176.95 173.71 1qhb s GLU 124 N -2.06 3.20 -1.17 4.98 2.02 -1.09 -4.58 118.70 120.00 1qhb s GLU 124 Ca 0.53 -0.61 -0.14 0.00 0.02 0.00 0.00 54.97 54.77 1qhb s GLU 124 Cb -0.42 -4.03 -0.02 0.00 0.10 0.00 0.00 34.13 29.76 1qhb s GLU 124 CO 0.57 -1.14 0.77 0.09 0.02 0.00 0.00 175.26 175.56 1qhb n ASN 125 N 6.31 -4.53 0.20 -0.19 4.13 -1.26 -4.86 115.26 115.06 1qhb n ASN 125 Ca -0.04 -0.94 0.14 0.00 1.68 0.00 0.00 54.58 55.42 1qhb n ASN 125 Cb 0.47 -3.71 0.68 0.00 -1.54 0.00 0.00 39.78 35.67 1qhb n ASN 125 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1qhb h SER 126 N -1.77 0.00 0.00 6.41 4.64 -1.94 -2.92 113.55 117.97 1qhb h SER 126 Ca -0.65 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.66 1qhb h SER 126 Cb 1.35 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.42 1qhb h SER 126 CO 0.50 0.00 -0.37 -1.20 -0.87 0.00 0.00 176.83 174.89 1qhb n SER 127 N -2.51 1.81 0.19 4.97 7.64 -1.26 -4.67 113.62 119.79 1qhb n SER 127 Ca -0.00 -3.42 0.14 0.00 1.01 0.00 0.00 58.87 56.60 1qhb n SER 127 Cb 0.14 -0.47 0.62 0.00 -1.01 0.00 0.00 64.21 63.49 1qhb n SER 127 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qhb h ALA 128 N 0.62 1.00 0.00 -0.43 0.00 -1.87 -1.99 119.26 116.58 1qhb h ALA 128 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1qhb h ALA 128 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1qhb h ALA 128 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1qhb n GLY 129 N -0.30 -1.18 0.01 0.00 0.00 -1.26 -2.85 105.19 99.60 1qhb n GLY 129 Ca 0.01 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.07 1qhb n GLY 129 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qhb n LEU 130 N -1.46 0.56 -4.75 0.99 4.77 -0.75 -4.65 117.00 111.70 1qhb n LEU 130 Ca 0.06 -0.01 -0.40 0.00 -0.03 0.00 0.00 56.01 55.62 1qhb n LEU 130 Cb 0.23 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1qhb n LEU 130 CO 0.19 0.11 0.82 -0.89 -1.33 0.00 0.00 177.39 176.29 1qhb s THR 131 N -3.03 3.46 0.76 -5.08 2.01 -1.13 -5.04 115.64 107.58 1qhb s THR 131 Ca 0.10 1.41 -0.09 0.00 0.31 0.00 0.00 61.69 63.43 1qhb s THR 131 Cb 0.17 -3.90 0.17 0.00 0.01 0.00 0.00 72.50 68.95 1qhb s THR 131 CO 0.72 0.31 1.04 0.49 -0.69 0.00 0.00 174.62 176.49 1qhb n PHE 132 N 1.44 -3.58 -3.74 4.92 3.72 -1.26 -4.66 117.46 114.29 1qhb n PHE 132 Ca 0.00 -1.24 -0.13 0.00 -0.05 0.00 0.00 57.45 56.03 1qhb n PHE 132 Cb 0.45 -0.79 -0.08 0.00 -0.94 0.00 0.00 39.48 38.12 1qhb n PHE 132 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1qhb s ASP 133 N -4.95 -0.20 0.01 4.37 -1.08 -1.26 -5.04 116.67 108.53 1qhb s ASP 133 Ca 0.62 0.03 0.26 0.00 -0.52 0.00 0.00 52.55 52.94 1qhb s ASP 133 Cb -0.02 0.34 1.08 0.00 -1.46 0.00 0.00 42.92 42.86 1qhb s ASP 133 CO 0.43 -0.51 1.82 0.18 0.52 0.00 0.00 175.17 177.61 1qhb n LEU 134 N 1.03 0.05 -3.81 -1.34 4.77 -1.26 -4.85 117.00 111.59 1qhb n LEU 134 Ca -0.21 0.51 -0.12 0.00 -0.03 0.00 0.00 56.01 56.16 1qhb n LEU 134 Cb 0.57 -0.49 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 1qhb n LEU 134 CO 0.22 -0.07 -0.06 -1.83 -1.33 0.00 0.00 177.39 174.31 1qhb s GLU 135 N -3.01 0.63 0.00 3.23 -1.05 -1.26 -5.03 118.70 112.21 1qhb s GLU 135 Ca 0.12 -0.38 0.00 0.00 -0.15 0.00 0.00 54.97 54.56 1qhb s GLU 135 Cb 0.16 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 1qhb s GLU 135 CO 0.47 -0.17 0.00 0.41 0.95 0.00 0.00 175.26 176.92 1qhb n GLY 136 N 1.13 -1.17 3.76 -3.83 0.00 -1.26 -4.87 105.19 98.94 1qhb n GLY 136 Ca -0.21 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 1qhb n GLY 136 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qhb n PRO 137 N -1.28 2.67 -1.62 1.61 -0.02 -1.26 -4.94 135.00 130.15 1qhb n PRO 137 Ca 0.00 0.94 -0.37 0.00 -2.02 0.00 0.00 63.50 62.06 1qhb n PRO 137 Cb 0.00 -2.69 0.07 0.00 -0.02 0.00 0.00 33.50 30.86 1qhb n PRO 137 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1qhb n ASP 138 N 1.29 1.62 0.10 2.55 2.03 -1.26 -4.88 116.55 118.00 1qhb n ASP 138 Ca 0.05 0.79 0.10 0.00 0.52 0.00 0.00 54.79 56.24 1qhb n ASP 138 Cb 0.38 -1.51 0.57 0.00 -0.72 0.00 0.00 41.12 39.84 1qhb n ASP 138 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qhb h ALA 139 N 0.32 2.01 -0.24 -1.67 0.00 -1.89 -1.95 119.26 115.83 1qhb h ALA 139 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1qhb h ALA 139 Cb 1.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1qhb h ALA 139 CO 0.51 -0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.74 1qhb n GLN 140 N -4.49 2.12 0.04 0.00 6.02 -1.26 -4.25 117.38 115.55 1qhb n GLN 140 Ca 0.03 -1.68 0.12 0.00 -0.01 0.00 0.00 57.00 55.46 1qhb n GLN 140 Cb 0.21 -1.46 0.28 0.00 1.02 0.00 0.00 30.24 30.30 1qhb n GLN 140 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1qhb n SER 141 N 0.91 0.55 -4.67 1.08 3.41 -0.73 -4.65 113.62 109.52 1qhb n SER 141 Ca 0.17 0.10 -0.25 0.00 -0.26 0.00 0.00 58.87 58.63 1qhb n SER 141 Cb 0.47 0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.35 1qhb n SER 141 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1qhb s VAL 142 N -3.08 2.39 0.03 -3.33 -7.23 -1.26 -1.76 120.40 106.16 1qhb s VAL 142 Ca 0.09 -1.88 -0.06 0.00 -1.81 0.00 0.00 61.98 58.32 1qhb s VAL 142 Cb 0.15 -2.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.18 1qhb s VAL 142 CO 0.68 -0.09 0.10 0.00 -0.31 0.00 0.00 175.10 175.48 1qhb s ALA 143 N -2.59 -0.10 0.12 1.32 0.00 -1.26 -4.85 121.76 114.40 1qhb s ALA 143 Ca 0.37 -0.50 0.07 0.00 0.00 0.00 0.00 51.96 51.90 1qhb s ALA 143 Cb 0.03 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 1qhb s ALA 143 CO 0.20 -0.31 -0.06 -1.64 0.00 0.00 0.00 175.76 173.95 1qhb s MET 144 N -2.49 2.26 0.72 0.00 -1.94 -1.26 -4.94 119.30 111.65 1qhb s MET 144 Ca -0.06 -1.02 -0.11 0.00 -1.71 0.00 0.00 55.69 52.79 1qhb s MET 144 Cb -0.02 -2.35 0.03 0.00 2.01 0.00 0.00 34.83 34.49 1qhb s MET 144 CO -0.04 0.50 1.07 -1.25 -0.01 0.00 0.00 175.02 175.29 1qhb s PRO 145 N -2.41 2.69 0.35 2.03 0.04 -1.26 -4.47 135.00 131.97 1qhb s PRO 145 Ca 0.24 0.94 -0.26 0.00 0.04 0.00 0.00 61.00 61.96 1qhb s PRO 145 Cb -0.11 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 32.35 1qhb s PRO 145 CO 0.16 -1.27 1.00 -2.30 0.04 0.00 0.00 177.00 174.62 1qhb n PRO 146 N -3.24 1.35 -1.86 0.56 -0.02 -1.19 -4.97 135.00 125.63 1qhb n PRO 146 Ca 0.08 0.48 -0.31 0.00 -2.02 0.00 0.00 63.50 61.72 1qhb n PRO 146 Cb 0.54 -1.93 0.02 0.00 -0.02 0.00 0.00 33.50 32.11 1qhb n PRO 146 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qhb s ALA 147 N -1.17 2.90 0.47 3.55 0.00 -1.26 -4.92 121.76 121.32 1qhb s ALA 147 Ca 0.60 0.07 -0.24 0.00 0.00 0.00 0.00 51.96 52.40 1qhb s ALA 147 Cb -0.63 -3.14 -0.08 0.00 0.00 0.00 0.00 23.12 19.27 1qhb s ALA 147 CO 0.59 -0.83 1.26 -2.30 0.00 0.00 0.00 175.76 174.47 1qhb n PRO 148 N -2.63 1.77 -2.97 0.00 -0.02 -1.26 -4.67 135.00 125.22 1qhb n PRO 148 Ca 0.07 0.64 -0.26 0.00 -2.02 0.00 0.00 63.50 61.93 1qhb n PRO 148 Cb 0.54 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 1qhb n PRO 148 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1qhb s VAL 149 N -1.25 4.99 0.52 -1.45 -7.23 -1.26 -4.96 120.40 109.76 1qhb s VAL 149 Ca 0.65 -0.08 0.21 0.00 -1.81 0.00 0.00 61.98 60.95 1qhb s VAL 149 Cb -0.48 -3.86 0.35 0.00 0.56 0.00 0.00 36.38 32.95 1qhb s VAL 149 CO 0.55 -0.71 2.04 -0.07 -0.31 0.00 0.00 175.10 176.60 1qhb h LEU 150 N 0.50 0.04 -2.38 1.32 3.38 -1.96 -2.49 115.31 113.71 1qhb h LEU 150 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1qhb h LEU 150 Cb 1.21 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1qhb h LEU 150 CO 0.62 0.03 0.00 0.35 0.09 0.00 0.00 178.44 179.52 1qhb n THR 151 N -4.44 1.06 -3.01 0.22 -2.24 -1.26 -4.77 114.28 99.83 1qhb n THR 151 Ca 0.06 -0.87 -0.29 0.00 -2.27 0.00 0.00 64.05 60.68 1qhb n THR 151 Cb 0.42 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 1qhb n THR 151 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qhb s SER 152 N -0.94 6.46 0.26 3.42 1.04 -0.94 -4.98 113.70 118.01 1qhb s SER 152 Ca 0.41 0.94 -0.03 0.00 0.48 0.00 0.00 55.95 57.75 1qhb s SER 152 Cb 0.23 -2.24 0.39 0.00 0.10 0.00 0.00 66.02 64.50 1qhb s SER 152 CO 0.25 -0.35 1.86 -0.65 0.98 0.00 0.00 173.24 175.34 1qhb h PRO 153 N 1.27 1.01 -0.49 4.02 0.11 -1.94 -2.23 132.00 133.75 1qhb h PRO 153 Ca -0.47 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 65.59 1qhb h PRO 153 Cb 1.19 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 1qhb h PRO 153 CO 0.64 0.67 0.30 1.49 -0.21 0.00 0.00 178.00 180.89 1qhb h GLU 154 N 1.04 0.58 -0.50 1.05 4.81 -1.94 -1.48 114.58 118.14 1qhb h GLU 154 Ca 0.41 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.49 1qhb h GLU 154 Cb 0.22 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1qhb h GLU 154 CO -0.19 0.38 -0.16 1.25 -0.73 0.00 0.00 179.01 179.56 1qhb h LEU 155 N 0.60 1.00 -0.57 1.64 7.12 -1.70 0.48 115.31 123.88 1qhb h LEU 155 Ca 0.19 -0.35 0.08 0.00 0.13 0.00 0.00 57.88 57.93 1qhb h LEU 155 Cb -0.00 -0.27 -0.06 0.00 -0.53 0.00 0.00 40.66 39.79 1qhb h LEU 155 CO -0.08 1.14 0.23 0.40 -0.13 0.00 0.00 178.44 180.00 1qhb h ILE 156 N 0.86 0.84 -0.34 4.05 2.04 -1.20 0.16 117.51 123.91 1qhb h ILE 156 Ca 0.12 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 1qhb h ILE 156 Cb 0.73 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1qhb h ILE 156 CO 0.06 0.08 -0.05 0.00 0.00 0.00 0.00 178.15 178.23 1qhb h ALA 157 N 1.36 0.47 -0.57 1.87 0.00 -0.75 -1.58 119.26 120.06 1qhb h ALA 157 Ca 0.27 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qhb h ALA 157 Cb 0.29 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1qhb h ALA 157 CO -0.25 0.28 0.35 0.93 0.00 0.00 0.00 179.25 180.56 1qhb h GLU 158 N 0.43 0.77 -0.58 0.00 5.08 -0.26 -1.98 114.58 118.05 1qhb h GLU 158 Ca 0.09 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1qhb h GLU 158 Cb 0.54 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1qhb h GLU 158 CO 0.03 0.54 -0.01 0.52 -1.00 0.00 0.00 179.01 179.09 1qhb h MET 159 N 0.77 1.03 -0.46 2.33 2.86 -0.56 -2.08 114.93 118.83 1qhb h MET 159 Ca 0.21 -0.33 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1qhb h MET 159 Cb -0.04 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 1qhb h MET 159 CO -0.04 1.02 0.22 0.00 1.06 0.00 0.00 176.91 179.17 1qhb h ALA 160 N 0.97 0.57 -0.54 6.32 0.00 -1.11 -1.36 119.26 124.12 1qhb h ALA 160 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1qhb h ALA 160 Cb 0.57 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1qhb h ALA 160 CO 0.03 -0.13 0.34 1.49 0.00 0.00 0.00 179.25 180.98 1qhb h GLU 161 N 0.44 0.72 -0.64 0.00 4.81 -1.22 -1.69 114.58 117.00 1qhb h GLU 161 Ca 0.20 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1qhb h GLU 161 Cb 0.12 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1qhb h GLU 161 CO -0.15 0.50 0.14 -0.07 -0.73 0.00 0.00 179.01 178.70 1qhb h LEU 162 N 0.72 0.96 -0.70 1.64 3.38 -0.93 -0.12 115.31 120.26 1qhb h LEU 162 Ca 0.19 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1qhb h LEU 162 Cb -0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1qhb h LEU 162 CO -0.04 0.94 -0.15 1.88 0.09 0.00 0.00 178.44 181.15 1qhb h TYR 163 N 0.96 0.94 -0.26 1.13 0.05 -1.02 -1.78 116.97 116.98 1qhb h TYR 163 Ca 0.20 -0.19 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 1qhb h TYR 163 Cb 0.37 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 1qhb h TYR 163 CO 0.03 0.93 -0.35 -0.07 -1.05 0.00 0.00 178.16 177.65 1qhb h LEU 164 N 0.75 0.60 -0.61 3.88 3.38 -1.05 -0.85 115.31 121.41 1qhb h LEU 164 Ca 0.11 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1qhb h LEU 164 Cb 0.67 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1qhb h LEU 164 CO 0.05 0.90 0.22 0.24 0.09 0.00 0.00 178.44 179.94 1qhb h MET 165 N 0.49 0.93 -0.56 1.13 2.86 -0.77 0.33 114.93 119.34 1qhb h MET 165 Ca 0.05 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 1qhb h MET 165 Cb 0.83 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 1qhb h MET 165 CO 0.07 0.81 0.06 0.00 1.06 0.00 0.00 176.91 178.91 1qhb h ALA 166 N 1.08 0.75 -0.05 6.32 0.00 -0.95 -2.23 119.26 124.17 1qhb h ALA 166 Ca 0.20 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1qhb h ALA 166 Cb 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1qhb h ALA 166 CO -0.01 0.53 -0.48 -0.07 0.00 0.00 0.00 179.25 179.21 1qhb h LEU 167 N 0.84 0.14 -2.11 0.00 3.38 -0.86 -2.95 115.31 113.76 1qhb h LEU 167 Ca 0.17 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1qhb h LEU 167 Cb 0.46 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1qhb h LEU 167 CO 0.02 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.76 1qhb n GLY 168 N -0.07 1.92 0.27 0.83 0.00 0.08 -4.60 105.19 103.62 1qhb n GLY 168 Ca -0.02 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.59 1qhb n GLY 168 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1qhb h ARG 169 N 2.10 0.27 -0.63 1.61 3.08 -1.22 -1.79 114.38 117.81 1qhb h ARG 169 Ca 0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1qhb h ARG 169 Cb 1.09 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 1qhb h ARG 169 CO 0.20 0.24 0.03 -0.25 -1.07 0.00 0.00 179.97 179.11 1qhb n ASP 170 N -4.44 5.36 -4.81 7.04 8.00 -1.26 -0.31 116.55 126.13 1qhb n ASP 170 Ca -0.00 -2.90 -0.37 0.00 0.71 0.00 0.00 54.79 52.23 1qhb n ASP 170 Cb 0.13 -0.68 -0.06 0.00 -0.02 0.00 0.00 41.12 40.49 1qhb n ASP 170 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1qhb s ILE 171 N -2.67 4.59 0.08 0.53 1.01 -0.67 -4.89 121.20 119.18 1qhb s ILE 171 Ca 0.51 1.32 -0.25 0.00 0.00 0.00 0.00 60.65 62.24 1qhb s ILE 171 Cb 0.39 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 1qhb s ILE 171 CO 0.15 0.36 0.76 -1.61 0.00 0.00 0.00 174.94 174.59 1qhb s GLU 172 N -1.60 4.50 0.24 2.79 2.02 -1.26 -2.56 118.70 122.84 1qhb s GLU 172 Ca 0.38 1.08 -0.04 0.00 0.02 0.00 0.00 54.97 56.40 1qhb s GLU 172 Cb -0.19 -3.32 0.45 0.00 0.10 0.00 0.00 34.13 31.17 1qhb s GLU 172 CO 0.22 0.39 1.73 0.74 0.02 0.00 0.00 175.26 178.36 1qhb h PHE 173 N 5.18 0.50 0.00 1.61 0.04 -1.62 -0.60 116.94 122.05 1qhb h PHE 173 Ca -0.45 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1qhb h PHE 173 Cb 1.21 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.25 1qhb h PHE 173 CO 0.65 0.06 0.00 0.43 -0.60 0.00 0.00 178.31 178.85 1qhb n SER 174 N -5.01 0.00 -0.28 2.17 7.64 -1.26 -3.05 113.62 113.84 1qhb n SER 174 Ca 0.14 -0.01 0.08 0.00 1.01 0.00 0.00 58.87 60.10 1qhb n SER 174 Cb 0.41 -0.26 0.16 0.00 -1.01 0.00 0.00 64.21 63.52 1qhb n SER 174 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1qhb n GLU 175 N -1.26 1.37 -0.37 1.43 1.02 -0.24 -4.71 120.64 117.89 1qhb n GLU 175 Ca 0.08 -2.83 -0.02 0.00 -0.02 0.00 0.00 57.16 54.38 1qhb n GLU 175 Cb 0.13 -1.52 0.11 0.00 -0.02 0.00 0.00 31.44 30.13 1qhb n GLU 175 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1qhb h PHE 176 N 0.37 1.23 -0.62 -0.32 -1.00 -1.50 -2.71 116.94 112.39 1qhb h PHE 176 Ca -0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1qhb h PHE 176 Cb 1.01 -0.41 0.00 0.00 3.61 0.00 0.00 35.95 40.15 1qhb h PHE 176 CO 0.28 0.77 0.00 -3.47 -1.61 0.00 0.00 178.31 174.27 1qhb n ASP 177 N -4.41 4.48 -4.78 2.17 -0.08 -1.26 -4.79 116.55 107.89 1qhb n ASP 177 Ca 0.12 -2.39 -0.39 0.00 -1.51 0.00 0.00 54.79 50.61 1qhb n ASP 177 Cb 0.02 -0.54 -0.06 0.00 2.34 0.00 0.00 41.12 42.88 1qhb n ASP 177 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1qhb s SER 178 N -0.99 7.35 0.44 1.67 0.15 -1.02 -4.97 113.70 116.33 1qhb s SER 178 Ca 0.48 1.62 0.21 0.00 0.70 0.00 0.00 55.95 58.96 1qhb s SER 178 Cb 0.31 -2.49 1.17 0.00 -1.71 0.00 0.00 66.02 63.30 1qhb s SER 178 CO 0.24 0.20 1.85 -0.65 1.20 0.00 0.00 173.24 176.08 1qhb h PRO 179 N 4.26 0.31 0.00 5.44 0.11 -1.93 0.11 132.00 140.30 1qhb h PRO 179 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1qhb h PRO 179 Cb 1.21 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1qhb h PRO 179 CO 0.66 0.20 -0.10 1.57 -0.21 0.00 0.00 178.00 180.12 1qhb h LYS 180 N 0.32 0.00 -0.03 1.05 2.10 -1.93 -2.56 116.57 115.52 1qhb h LYS 180 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 1qhb h LYS 180 Cb 1.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1qhb h LYS 180 CO -0.16 0.10 0.00 0.09 -2.00 0.00 0.00 179.45 177.48 1qhb n ASN 181 N -3.86 2.43 -0.19 7.07 3.02 0.35 -4.67 115.26 119.41 1qhb n ASN 181 Ca -0.02 -1.71 0.13 0.00 -0.03 0.00 0.00 54.58 52.94 1qhb n ASN 181 Cb 0.20 -0.00 0.44 0.00 -0.61 0.00 0.00 39.78 39.81 1qhb n ASN 181 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qhb h ALA 182 N 3.34 1.96 -0.12 5.41 0.00 -1.07 0.78 119.26 129.56 1qhb h ALA 182 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1qhb h ALA 182 Cb 0.71 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1qhb h ALA 182 CO 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 179.25 179.12 1qhb h ALA 183 N 1.63 0.16 -0.03 0.00 0.00 -1.83 -1.38 119.26 117.81 1qhb h ALA 183 Ca 0.37 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1qhb h ALA 183 Cb 0.69 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1qhb h ALA 183 CO -0.14 -0.18 0.00 0.35 0.00 0.00 0.00 179.25 179.28 1qhb h PHE 184 N -0.04 0.05 -0.39 0.00 3.57 -1.76 -2.44 116.94 115.94 1qhb h PHE 184 Ca 0.04 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1qhb h PHE 184 Cb 0.30 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1qhb h PHE 184 CO 0.02 0.32 0.24 0.82 -2.23 0.00 0.00 178.31 177.47 1qhb h ILE 185 N -0.23 1.12 -0.38 1.41 1.08 -0.84 -0.48 117.51 119.21 1qhb h ILE 185 Ca 0.01 -0.28 -0.05 0.00 -0.39 0.00 0.00 64.86 64.15 1qhb h ILE 185 Cb 0.29 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 1qhb h ILE 185 CO 0.00 0.12 0.04 0.03 -0.69 0.00 0.00 178.15 177.66 1qhb h ARG 186 N 0.52 0.64 -0.36 2.37 2.47 -1.31 -1.11 114.38 117.59 1qhb h ARG 186 Ca 0.14 -0.18 -0.05 0.00 -1.26 0.00 0.00 59.98 58.63 1qhb h ARG 186 Cb -0.01 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 1qhb h ARG 186 CO -0.03 0.71 0.02 1.03 0.56 0.00 0.00 179.97 182.27 1qhb h SER 187 N 0.47 0.52 -0.24 7.04 0.87 -1.34 -0.88 113.55 120.00 1qhb h SER 187 Ca 0.11 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1qhb h SER 187 Cb 0.39 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1qhb h SER 187 CO 0.01 0.58 0.06 0.00 -0.53 0.00 0.00 176.83 176.95 1qhb h ALA 188 N 1.49 0.31 0.14 6.23 0.00 -0.57 -0.58 119.26 126.29 1qhb h ALA 188 Ca 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1qhb h ALA 188 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1qhb h ALA 188 CO 0.01 -0.04 -0.07 0.82 0.00 0.00 0.00 179.25 179.97 1qhb h ILE 189 N 0.21 0.88 -0.41 0.00 2.04 -0.99 -1.19 117.51 118.05 1qhb h ILE 189 Ca 0.07 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.91 1qhb h ILE 189 Cb 0.27 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1qhb h ILE 189 CO 0.00 0.02 0.17 -0.08 0.00 0.00 0.00 178.15 178.25 1qhb h GLU 190 N -0.22 0.34 -0.20 2.37 4.81 -1.17 0.11 114.58 120.61 1qhb h GLU 190 Ca -0.02 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 1qhb h GLU 190 Cb 0.17 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1qhb h GLU 190 CO 0.03 0.22 -0.27 0.00 -0.73 0.00 0.00 179.01 178.27 1qhb h ARG 191 N 0.35 0.38 -0.13 1.92 3.08 -1.00 -2.26 114.38 116.72 1qhb h ARG 191 Ca 0.19 -0.14 -0.21 0.00 0.07 0.00 0.00 59.98 59.89 1qhb h ARG 191 Cb 0.14 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1qhb h ARG 191 CO -0.17 0.62 -0.76 -0.07 -1.07 0.00 0.00 179.97 178.53 1qhb h LEU 192 N 0.34 0.76 0.00 3.04 3.38 -0.69 -2.96 115.31 119.18 1qhb h LEU 192 Ca 0.05 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1qhb h LEU 192 Cb 0.65 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1qhb h LEU 192 CO 0.05 1.27 0.00 0.59 0.09 0.00 0.00 178.44 180.44 1qhb n ASN 193 N -3.90 0.00 -0.28 -0.43 3.02 0.32 -1.43 115.26 112.58 1qhb n ASN 193 Ca -0.06 -0.17 0.13 0.00 -0.03 0.00 0.00 54.58 54.45 1qhb n ASN 193 Cb 0.73 -0.20 0.39 0.00 -0.61 0.00 0.00 39.78 40.09 1qhb n ASN 193 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qhb n GLY 194 N 0.26 -0.53 3.85 7.41 0.00 -0.86 -4.56 105.19 110.75 1qhb n GLY 194 Ca 0.11 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1qhb n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qhb s LEU 195 N -2.45 4.39 0.26 0.99 1.43 -0.51 -4.99 118.68 117.80 1qhb s LEU 195 Ca 0.26 0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 53.92 1qhb s LEU 195 Cb 0.19 -2.22 0.52 0.00 0.03 0.00 0.00 46.19 44.71 1qhb s LEU 195 CO 0.50 0.35 1.76 -0.08 0.23 0.00 0.00 176.35 179.11 1qhb h GLU 196 N 5.14 0.60 -0.67 1.70 4.81 -1.89 -1.03 114.58 123.23 1qhb h GLU 196 Ca -0.52 -0.04 0.14 0.00 -0.13 0.00 0.00 59.36 58.81 1qhb h GLU 196 Cb 1.22 -0.13 -0.10 0.00 0.63 0.00 0.00 28.75 30.36 1qhb h GLU 196 CO 0.61 0.40 0.15 2.35 -0.73 0.00 0.00 179.01 181.79 1qhb h TRP 197 N 0.62 0.23 0.00 0.92 2.91 -1.84 -1.89 115.95 116.90 1qhb h TRP 197 Ca 0.45 0.04 -0.28 0.00 1.13 0.00 0.00 58.89 60.23 1qhb h TRP 197 Cb 0.64 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.24 1qhb h TRP 197 CO -0.10 -0.06 -1.64 0.74 -1.03 0.00 0.00 178.44 176.35 1qhb h PHE 198 N 0.26 0.00 -0.13 2.65 0.04 -1.61 -3.39 116.94 114.76 1qhb h PHE 198 Ca 0.37 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.13 1qhb h PHE 198 Cb 0.58 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1qhb h PHE 198 CO -0.26 1.00 0.00 0.27 -0.60 0.00 0.00 178.31 178.72 1qhb n ASN 199 N -3.08 2.58 -3.96 2.17 0.23 -0.44 -3.36 115.26 109.41 1qhb n ASN 199 Ca -0.15 -1.84 -0.18 0.00 -0.53 0.00 0.00 54.58 51.87 1qhb n ASN 199 Cb 1.04 -0.08 -0.15 0.00 -2.08 0.00 0.00 39.78 38.51 1qhb n ASN 199 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1qhb s THR 200 N -1.85 0.55 0.77 5.53 2.01 -0.73 -5.01 115.64 116.92 1qhb s THR 200 Ca 0.33 -0.24 -0.12 0.00 0.31 0.00 0.00 61.69 61.98 1qhb s THR 200 Cb 0.21 -0.51 0.05 0.00 0.01 0.00 0.00 72.50 72.26 1qhb s THR 200 CO 0.31 0.18 1.11 -2.16 -0.69 0.00 0.00 174.62 173.37 1qhb s PRO 201 N 0.22 2.31 0.99 4.92 0.04 -1.26 -4.69 135.00 137.52 1qhb s PRO 201 Ca -0.03 0.47 -0.11 0.00 0.04 0.00 0.00 61.00 61.37 1qhb s PRO 201 Cb -0.07 -1.96 0.18 0.00 0.04 0.00 0.00 34.50 32.69 1qhb s PRO 201 CO -0.00 -1.42 1.09 0.00 0.04 0.00 0.00 177.00 176.71 1qhb s ALA 202 N -3.30 0.88 0.17 8.56 0.00 -1.26 -5.05 121.76 121.76 1qhb s ALA 202 Ca 0.60 0.19 0.11 0.00 0.00 0.00 0.00 51.96 52.86 1qhb s ALA 202 Cb -0.13 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1qhb s ALA 202 CO 0.52 -2.98 -0.24 0.15 0.00 0.00 0.00 175.76 173.21 1qhb s LYS 203 N -4.67 1.44 0.22 0.00 1.02 -1.26 -5.07 119.74 111.43 1qhb s LYS 203 Ca 0.66 -1.45 -0.32 0.00 0.02 0.00 0.00 55.97 54.89 1qhb s LYS 203 Cb -0.22 -1.80 -0.13 0.00 -0.52 0.00 0.00 37.83 35.16 1qhb s LYS 203 CO 0.60 0.40 1.49 -0.11 -0.92 0.00 0.00 175.35 176.81 1qhb n LEU 204 N 0.51 3.24 0.00 3.17 7.94 -1.26 -1.50 117.00 129.10 1qhb n LEU 204 Ca -0.15 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 1qhb n LEU 204 Cb 0.55 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 43.05 1qhb n LEU 204 CO 0.27 -0.34 0.00 0.61 -1.11 0.00 0.00 177.39 176.82 1qhb n GLY 205 N 2.63 2.98 3.77 -3.96 0.00 -1.26 -5.07 105.19 104.27 1qhb n GLY 205 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1qhb n GLY 205 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qhb s ASP 206 N -0.97 5.71 0.22 1.61 1.01 -0.56 -4.94 116.67 118.76 1qhb s ASP 206 Ca 0.00 2.30 -0.32 0.00 0.71 0.00 0.00 52.55 55.24 1qhb s ASP 206 Cb 0.00 -2.60 -0.13 0.00 1.01 0.00 0.00 42.92 41.20 1qhb s ASP 206 CO 0.00 -1.23 1.46 -2.65 0.21 0.00 0.00 175.17 172.95 1qhb n PRO 207 N -1.10 2.09 -0.21 8.23 -0.02 -1.26 -4.83 135.00 137.90 1qhb n PRO 207 Ca 0.11 0.75 0.20 0.00 -2.02 0.00 0.00 63.50 62.53 1qhb n PRO 207 Cb 0.49 -2.44 0.55 0.00 -0.02 0.00 0.00 33.50 32.09 1qhb n PRO 207 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1qhb h PRO 208 N 4.63 0.32 -0.24 0.52 0.11 -1.99 -0.65 132.00 134.69 1qhb h PRO 208 Ca -0.45 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 1qhb h PRO 208 Cb 1.27 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1qhb h PRO 208 CO 0.79 0.21 -0.23 0.00 -0.21 0.00 0.00 178.00 178.55 1qhb h ALA 209 N 1.62 1.15 -0.30 -0.75 0.00 -2.00 -1.84 119.26 117.14 1qhb h ALA 209 Ca 0.44 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1qhb h ALA 209 Cb 1.19 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1qhb h ALA 209 CO -0.13 0.54 -0.33 0.93 0.00 0.00 0.00 179.25 180.25 1qhb h GLU 210 N 0.40 0.76 -0.87 0.00 5.08 -1.50 -2.70 114.58 115.74 1qhb h GLU 210 Ca 0.06 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1qhb h GLU 210 Cb 0.63 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1qhb h GLU 210 CO 0.04 1.04 0.52 0.82 -1.00 0.00 0.00 179.01 180.43 1qhb h ILE 211 N 0.51 1.24 -0.10 3.13 2.04 -1.08 -0.35 117.51 122.91 1qhb h ILE 211 Ca 0.04 -0.55 -0.11 0.00 1.00 0.00 0.00 64.86 65.24 1qhb h ILE 211 Cb 0.91 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1qhb h ILE 211 CO 0.08 0.26 -0.44 -0.09 0.00 0.00 0.00 178.15 177.96 1qhb h ARG 212 N 1.20 0.23 -0.01 2.37 2.43 -1.24 -3.18 114.38 116.18 1qhb h ARG 212 Ca 0.31 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1qhb h ARG 212 Cb -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1qhb h ARG 212 CO -0.06 0.63 -0.50 2.89 -1.51 0.00 0.00 179.97 181.43 1qhb n ARG 213 N -4.00 0.99 -1.92 0.20 1.85 -1.03 -4.95 116.66 107.80 1qhb n ARG 213 Ca -0.02 -0.78 -0.42 0.00 -1.00 0.00 0.00 57.85 55.64 1qhb n ARG 213 Cb 0.50 -1.48 -0.02 0.00 -1.05 0.00 0.00 32.46 30.40 1qhb n ARG 213 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1qhb s ARG 214 N -2.55 4.21 0.24 2.89 3.52 -0.16 -5.01 118.95 122.09 1qhb s ARG 214 Ca 0.18 2.39 0.06 0.00 -0.13 0.00 0.00 55.73 58.24 1qhb s ARG 214 Cb 0.18 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.43 1qhb s ARG 214 CO 0.60 -0.54 0.25 1.03 -0.81 0.00 0.00 175.30 175.82 1qhb s ARG 215 N 0.16 3.10 0.00 5.12 0.52 -1.26 -5.03 118.95 121.56 1qhb s ARG 215 Ca 0.64 -0.94 0.00 0.00 -0.52 0.00 0.00 55.73 54.92 1qhb s ARG 215 Cb -0.44 -2.68 0.00 0.00 0.52 0.00 0.00 34.95 32.35 1qhb s ARG 215 CO 0.40 0.42 0.00 0.41 0.02 0.00 0.00 175.30 176.55 1qhb n GLY 216 N -1.18 2.17 3.65 -3.53 0.00 -1.26 -4.25 105.19 100.80 1qhb n GLY 216 Ca -0.08 -1.93 -0.47 0.00 0.00 0.00 0.00 46.02 43.54 1qhb n GLY 216 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qhb n GLU 217 N 0.00 1.95 -2.87 1.61 2.13 -1.21 -4.77 120.64 117.48 1qhb n GLU 217 Ca 0.00 0.70 -0.40 0.00 0.66 0.00 0.00 57.16 58.12 1qhb n GLU 217 Cb 0.00 -2.43 -0.05 0.00 0.27 0.00 0.00 31.44 29.23 1qhb n GLU 217 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1qhb s VAL 218 N 0.68 4.64 0.29 6.31 1.01 -1.26 -4.99 120.40 127.09 1qhb s VAL 218 Ca 0.78 1.83 0.02 0.00 0.00 0.00 0.00 61.98 64.61 1qhb s VAL 218 Cb -0.72 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.40 1qhb s VAL 218 CO 0.41 0.34 0.11 0.42 0.00 0.00 0.00 175.10 176.37 1qhb s THR 219 N 0.01 0.63 0.30 3.92 -4.23 -1.26 -4.95 115.64 110.06 1qhb s THR 219 Ca 0.42 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1qhb s THR 219 Cb -0.22 -2.62 0.15 0.00 1.34 0.00 0.00 72.50 71.15 1qhb s THR 219 CO 0.26 0.00 1.83 0.58 -0.54 0.00 0.00 174.62 176.75 1qhb h VAL 220 N 2.25 1.22 0.00 2.29 2.07 -1.97 0.35 116.25 122.46 1qhb h VAL 220 Ca -0.37 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 1qhb h VAL 220 Cb 1.25 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1qhb h VAL 220 CO 0.60 0.30 -0.02 1.23 0.02 0.00 0.00 177.57 179.70 1qhb h GLY 221 N 0.91 0.00 0.00 2.17 0.00 -1.99 -3.22 103.07 100.94 1qhb h GLY 221 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1qhb h GLY 221 CO 0.01 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.71 1qhb n ASN 222 N -3.12 1.14 -4.67 0.19 0.23 -0.85 -4.94 115.26 103.24 1qhb n ASN 222 Ca 0.00 -1.16 -0.44 0.00 -0.53 0.00 0.00 54.58 52.46 1qhb n ASN 222 Cb 0.30 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.96 1qhb n ASN 222 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1qhb n LEU 223 N -0.08 3.99 -0.29 -4.53 7.94 0.06 -1.88 117.00 122.20 1qhb n LEU 223 Ca 0.00 0.92 -0.04 0.00 -1.11 0.00 0.00 56.01 55.78 1qhb n LEU 223 Cb 0.05 -1.49 -0.02 0.00 0.53 0.00 0.00 43.42 42.49 1qhb n LEU 223 CO 0.00 0.14 -0.04 0.49 -1.11 0.00 0.00 177.39 176.87 1qhb n PHE 224 N 7.26 0.00 -3.30 1.96 3.72 -1.26 -5.01 117.46 120.82 1qhb n PHE 224 Ca 0.21 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.40 1qhb n PHE 224 Cb 0.38 -1.26 0.00 0.00 -0.94 0.00 0.00 39.48 37.65 1qhb n PHE 224 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1qhb s ARG 225 N -1.67 3.14 0.59 -1.08 0.52 -0.79 -5.02 118.95 114.65 1qhb s ARG 225 Ca 0.00 -0.73 -0.05 0.00 -0.52 0.00 0.00 55.73 54.43 1qhb s ARG 225 Cb 0.00 -2.71 0.13 0.00 0.52 0.00 0.00 34.95 32.89 1qhb s ARG 225 CO 0.00 -0.04 0.81 0.41 0.02 0.00 0.00 175.30 176.50 1qhb n GLY 226 N -1.82 -0.10 0.07 -3.53 0.00 -1.26 -5.06 105.19 93.50 1qhb n GLY 226 Ca -0.00 -1.89 0.05 0.00 0.00 0.00 0.00 46.02 44.17 1qhb n GLY 226 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1qhb n ILE 227 N -2.78 1.27 -2.27 -0.61 -5.35 -1.26 -4.71 119.36 103.65 1qhb n ILE 227 Ca 0.12 -1.45 -0.35 0.00 -0.27 0.00 0.00 62.75 60.80 1qhb n ILE 227 Cb 0.42 0.18 -0.00 0.00 -1.74 0.00 0.00 39.64 38.51 1qhb n ILE 227 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1qhb s LEU 228 N -1.74 3.78 0.11 7.28 1.43 -1.26 -4.92 118.68 123.37 1qhb s LEU 228 Ca 0.15 2.18 -0.31 0.00 -1.03 0.00 0.00 54.13 55.13 1qhb s LEU 228 Cb 0.13 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.71 1qhb s LEU 228 CO 0.01 -1.17 1.85 -2.84 0.23 0.00 0.00 176.35 174.43 1qhb s PRO 229 N -3.22 4.14 0.00 1.29 0.02 -1.26 -1.66 135.00 134.31 1qhb s PRO 229 Ca 0.72 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.33 1qhb s PRO 229 Cb -0.24 -3.66 0.00 0.00 0.02 0.00 0.00 34.50 30.62 1qhb s PRO 229 CO 0.28 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 1qhb n GLY 230 N 4.27 2.20 0.27 0.52 0.00 -1.26 -4.56 105.19 106.62 1qhb n GLY 230 Ca 0.18 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.35 1qhb n GLY 230 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1qhb h SER 231 N 0.62 0.00 -0.69 1.61 0.02 -1.51 -2.81 113.55 110.79 1qhb h SER 231 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1qhb h SER 231 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1qhb h SER 231 CO 0.00 0.10 0.00 -0.62 -1.14 0.00 0.00 176.83 175.17 1qhb n GLU 232 N -3.35 2.62 -4.08 3.45 1.02 -1.26 -4.84 120.64 114.21 1qhb n GLU 232 Ca -0.01 -2.52 -0.35 0.00 -0.02 0.00 0.00 57.16 54.26 1qhb n GLU 232 Cb 0.29 -1.55 -0.11 0.00 -0.02 0.00 0.00 31.44 30.05 1qhb n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1qhb s VAL 233 N -1.08 4.38 0.00 2.62 1.01 -1.06 -5.00 120.40 121.26 1qhb s VAL 233 Ca 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1qhb s VAL 233 Cb 0.24 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1qhb s VAL 233 CO 0.32 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.47 1qhb n GLY 234 N 3.87 -1.73 3.68 4.51 0.00 -1.26 -4.89 105.19 109.37 1qhb n GLY 234 Ca -0.17 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 1qhb n GLY 234 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1qhb s PRO 235 N 0.00 1.31 0.08 1.61 0.02 -1.26 -4.95 135.00 131.81 1qhb s PRO 235 Ca 0.00 1.68 -0.27 0.00 0.02 0.00 0.00 61.00 62.42 1qhb s PRO 235 Cb 0.00 -1.75 -0.17 0.00 0.02 0.00 0.00 34.50 32.60 1qhb s PRO 235 CO 0.00 -2.44 1.66 -0.92 -0.33 0.00 0.00 177.00 174.97 1qhb h TYR 236 N -1.37 -0.37 -3.39 6.54 5.03 -1.90 -3.42 116.97 118.08 1qhb h TYR 236 Ca -0.45 -0.01 -0.55 0.00 2.58 0.00 0.00 58.73 60.30 1qhb h TYR 236 Cb 1.28 0.12 -0.04 0.00 1.55 0.00 0.00 36.73 39.64 1qhb h TYR 236 CO 0.48 -0.21 0.15 -0.51 -1.32 0.00 0.00 178.16 176.75 1qhb s LEU 237 N -10.08 4.37 0.46 2.82 1.43 -1.26 -4.94 118.68 111.48 1qhb s LEU 237 Ca -0.15 1.34 -0.24 0.00 -1.03 0.00 0.00 54.13 54.05 1qhb s LEU 237 Cb 0.05 -3.20 -0.09 0.00 0.03 0.00 0.00 46.19 42.98 1qhb s LEU 237 CO 0.64 -0.10 1.13 -0.24 0.23 0.00 0.00 176.35 178.02 1qhb n SER 238 N 3.49 1.81 -0.04 2.29 2.88 -1.26 -4.86 113.62 117.93 1qhb n SER 238 Ca -0.01 1.02 0.12 0.00 -1.33 0.00 0.00 58.87 58.67 1qhb n SER 238 Cb 0.51 -1.44 0.52 0.00 -0.75 0.00 0.00 64.21 63.05 1qhb n SER 238 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1qhb h GLN 239 N 1.57 0.34 0.00 -1.46 1.08 -1.91 -2.47 115.11 112.27 1qhb h GLN 239 Ca -0.47 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1qhb h GLN 239 Cb 1.32 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1qhb h GLN 239 CO 0.57 0.23 0.00 1.19 -0.95 0.00 0.00 178.83 179.87 1qhb n PHE 240 N -4.47 0.05 0.76 2.96 3.72 -1.26 -1.43 117.46 117.80 1qhb n PHE 240 Ca 0.08 0.02 0.12 0.00 -0.05 0.00 0.00 57.45 57.62 1qhb n PHE 240 Cb 0.34 -0.53 0.14 0.00 -0.94 0.00 0.00 39.48 38.49 1qhb n PHE 240 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1qhb n ILE 241 N -1.54 0.17 0.00 4.37 3.06 -0.93 -4.63 119.36 119.86 1qhb n ILE 241 Ca 0.03 -0.59 0.00 0.00 -2.50 0.00 0.00 62.75 59.70 1qhb n ILE 241 Cb 0.16 1.33 0.00 0.00 0.54 0.00 0.00 39.64 41.67 1qhb n ILE 241 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 1qhb n ILE 242 N 1.41 0.00 -2.03 9.51 -5.35 -0.93 -4.80 119.36 117.17 1qhb n ILE 242 Ca 0.16 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.34 1qhb n ILE 242 Cb 0.60 -0.38 0.01 0.00 -1.74 0.00 0.00 39.64 38.13 1qhb n ILE 242 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1qhb s VAL 243 N -1.47 4.73 0.00 7.28 -7.23 -0.51 -4.29 120.40 118.90 1qhb s VAL 243 Ca 0.00 0.73 0.00 0.00 -1.81 0.00 0.00 61.98 60.90 1qhb s VAL 243 Cb 0.00 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 33.08 1qhb s VAL 243 CO 0.00 -1.08 0.00 0.61 -0.31 0.00 0.00 175.10 174.32 1qhb n GLY 244 N -2.65 1.11 3.47 2.32 0.00 -0.47 -4.70 105.19 104.26 1qhb n GLY 244 Ca 0.05 -1.96 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 1qhb n GLY 244 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qhb s SER 245 N -1.00 2.47 0.54 1.61 1.04 -0.65 -4.88 113.70 112.83 1qhb s SER 245 Ca 0.00 -1.53 -0.21 0.00 0.48 0.00 0.00 55.95 54.69 1qhb s SER 245 Cb 0.00 0.24 -0.06 0.00 0.10 0.00 0.00 66.02 66.30 1qhb s SER 245 CO 0.00 -0.78 1.13 1.17 0.98 0.00 0.00 173.24 175.73 1qhb n LYS 246 N -0.78 1.32 -4.22 4.02 4.81 -1.26 -3.91 118.16 118.13 1qhb n LYS 246 Ca -0.04 0.49 -0.23 0.00 -0.87 0.00 0.00 58.31 57.66 1qhb n LYS 246 Cb 0.66 -2.30 -0.06 0.00 0.02 0.00 0.00 35.03 33.35 1qhb n LYS 246 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1qhb s GLN 247 N -2.63 2.54 0.19 1.64 -1.52 -1.26 -4.40 119.66 114.22 1qhb s GLN 247 Ca 0.71 -1.28 -0.33 0.00 -1.95 0.00 0.00 55.36 52.51 1qhb s GLN 247 Cb -0.45 -2.31 -0.14 0.00 -0.22 0.00 0.00 33.01 29.89 1qhb s GLN 247 CO 0.50 0.37 1.53 -0.89 -0.25 0.00 0.00 175.29 176.56 1qhb n ILE 248 N -1.01 0.32 0.00 1.08 2.08 -1.26 -1.93 119.36 118.65 1qhb n ILE 248 Ca -0.07 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.16 1qhb n ILE 248 Cb 0.59 -1.55 0.00 0.00 -0.75 0.00 0.00 39.64 37.93 1qhb n ILE 248 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1qhb n GLY 249 N 3.00 2.72 3.55 7.39 0.00 -1.26 -4.69 105.19 115.91 1qhb n GLY 249 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1qhb n GLY 249 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qhb s SER 250 N -1.22 6.35 0.17 1.61 0.01 -0.81 -3.03 113.70 116.78 1qhb s SER 250 Ca 0.00 -0.08 -0.22 0.00 1.31 0.00 0.00 55.95 56.97 1qhb s SER 250 Cb 0.00 -2.30 0.06 0.00 0.21 0.00 0.00 66.02 63.99 1qhb s SER 250 CO 0.00 -0.60 0.58 0.00 0.41 0.00 0.00 173.24 173.63 1qhb s ALA 251 N 2.59 -1.46 -0.22 1.44 0.00 -0.68 -4.91 121.76 118.52 1qhb s ALA 251 Ca 0.21 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.48 1qhb s ALA 251 Cb -0.15 0.86 -0.00 0.00 0.00 0.00 0.00 23.12 23.83 1qhb s ALA 251 CO 0.15 -0.78 -0.06 0.99 0.00 0.00 0.00 175.76 176.07 1qhb s THR 252 N -3.77 3.19 -0.42 0.00 2.01 -1.26 -0.03 115.64 115.35 1qhb s THR 252 Ca 0.02 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.42 1qhb s THR 252 Cb -0.01 -2.47 0.12 0.00 0.01 0.00 0.00 72.50 70.14 1qhb s THR 252 CO -0.11 0.39 0.18 -0.69 -0.69 0.00 0.00 174.62 173.70 1qhb s VAL 253 N 1.44 2.81 0.00 3.82 1.01 0.91 -4.97 120.40 125.42 1qhb s VAL 253 Ca 0.05 -2.50 0.00 0.00 0.00 0.00 0.00 61.98 59.53 1qhb s VAL 253 Cb -0.14 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1qhb s VAL 253 CO -0.04 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 174.97 1qhb n GLY 254 N 4.07 4.03 0.85 4.51 0.00 -1.26 -1.45 105.19 115.95 1qhb n GLY 254 Ca 0.03 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1qhb n GLY 254 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qhb n ASN 255 N 8.36 2.57 -4.54 1.61 0.23 -1.26 -4.90 115.26 117.33 1qhb n ASN 255 Ca 0.00 -1.86 -0.34 0.00 -0.53 0.00 0.00 54.58 51.85 1qhb n ASN 255 Cb 0.00 -0.16 -0.11 0.00 -2.08 0.00 0.00 39.78 37.43 1qhb n ASN 255 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1qhb s LYS 256 N -1.69 3.79 -0.27 -3.83 2.20 -0.53 -5.09 119.74 114.33 1qhb s LYS 256 Ca 0.35 -0.45 -0.11 0.00 -0.36 0.00 0.00 55.97 55.40 1qhb s LYS 256 Cb 0.20 -3.08 -0.05 0.00 -1.51 0.00 0.00 37.83 33.39 1qhb s LYS 256 CO 0.29 0.20 0.19 0.99 -0.36 0.00 0.00 175.35 176.67 1qhb s THR 257 N 0.52 5.32 -0.04 3.43 2.01 -1.26 -0.06 115.64 125.55 1qhb s THR 257 Ca -0.00 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1qhb s THR 257 Cb -0.14 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1qhb s THR 257 CO 0.02 0.28 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.45 1qhb s LEU 258 N 1.54 3.45 -0.13 4.42 1.43 0.95 -4.98 118.68 125.36 1qhb s LEU 258 Ca 0.08 0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1qhb s LEU 258 Cb -0.15 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 1qhb s LEU 258 CO 0.09 0.33 -0.12 -0.69 0.23 0.00 0.00 176.35 176.19 1qhb s VAL 259 N -0.96 3.17 0.40 -1.59 1.01 -1.24 -1.69 120.40 119.51 1qhb s VAL 259 Ca 0.16 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.25 1qhb s VAL 259 Cb -0.11 -2.34 -0.09 0.00 0.00 0.00 0.00 36.38 33.84 1qhb s VAL 259 CO 0.06 0.52 1.29 -0.55 0.00 0.00 0.00 175.10 176.42 1qhb s SER 260 N 0.28 6.39 0.18 3.32 0.15 -1.17 -4.67 113.70 118.18 1qhb s SER 260 Ca -0.09 2.62 0.19 0.00 0.70 0.00 0.00 55.95 59.37 1qhb s SER 260 Cb -0.15 -2.64 0.83 0.00 -1.71 0.00 0.00 66.02 62.35 1qhb s SER 260 CO 0.05 -0.79 1.58 -0.81 1.20 0.00 0.00 173.24 174.47 1qhb n PRO 261 N 0.20 0.12 -0.35 5.44 -0.04 -1.26 -1.21 135.00 137.91 1qhb n PRO 261 Ca 0.03 0.42 0.08 0.00 -0.04 0.00 0.00 63.50 63.99 1qhb n PRO 261 Cb 0.44 -1.76 0.21 0.00 -0.04 0.00 0.00 33.50 32.34 1qhb n PRO 261 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qhb n ASN 262 N -1.99 3.05 -0.24 3.54 3.02 -1.26 -4.79 115.26 116.58 1qhb n ASN 262 Ca 0.02 -3.17 0.19 0.00 -0.03 0.00 0.00 54.58 51.59 1qhb n ASN 262 Cb 0.16 -0.51 0.51 0.00 -0.61 0.00 0.00 39.78 39.34 1qhb n ASN 262 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qhb h ALA 263 N 0.99 2.21 0.00 5.41 0.00 -1.52 -1.41 119.26 124.93 1qhb h ALA 263 Ca 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1qhb h ALA 263 Cb 1.28 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1qhb h ALA 263 CO 0.14 -0.49 -0.08 0.00 0.00 0.00 0.00 179.25 178.83 1qhb h ALA 264 N 1.61 1.20 -0.81 0.00 0.00 -1.87 -2.51 119.26 116.88 1qhb h ALA 264 Ca 0.47 -0.07 0.20 0.00 0.00 0.00 0.00 54.91 55.50 1qhb h ALA 264 Cb 1.16 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1qhb h ALA 264 CO -0.18 0.10 0.56 -0.44 0.00 0.00 0.00 179.25 179.29 1qhb h ASP 265 N 0.00 0.25 -0.83 0.00 5.19 -1.62 -0.67 116.42 118.73 1qhb h ASP 265 Ca -0.00 0.02 0.10 0.00 -0.62 0.00 0.00 57.03 56.53 1qhb h ASP 265 Cb 0.30 -0.02 -0.08 0.00 0.18 0.00 0.00 39.33 39.71 1qhb h ASP 265 CO 0.01 0.11 0.47 -0.08 -3.12 0.00 0.00 179.24 176.63 1qhb h GLU 266 N 0.25 0.75 -0.20 3.56 4.81 -1.56 -1.54 114.58 120.65 1qhb h GLU 266 Ca 0.41 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1qhb h GLU 266 Cb 1.21 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1qhb h GLU 266 CO -0.10 0.50 0.00 1.19 -0.73 0.00 0.00 179.01 179.87 1qhb n PHE 267 N -4.75 0.26 -1.16 0.92 3.72 -0.27 -1.37 117.46 114.81 1qhb n PHE 267 Ca 0.14 -0.13 0.06 0.00 -0.05 0.00 0.00 57.45 57.47 1qhb n PHE 267 Cb 0.30 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.04 1qhb n PHE 267 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1qhb n ASP 268 N 0.26 2.92 -0.59 4.37 2.03 -0.62 -4.37 116.55 120.54 1qhb n ASP 268 Ca 0.14 -3.27 -0.06 0.00 0.52 0.00 0.00 54.79 52.12 1qhb n ASP 268 Cb 0.29 -0.52 -0.01 0.00 -0.72 0.00 0.00 41.12 40.15 1qhb n ASP 268 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qhb n GLY 269 N -0.99 0.30 3.46 0.27 0.00 -1.18 -4.87 105.19 102.18 1qhb n GLY 269 Ca 0.22 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 1qhb n GLY 269 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qhb s GLU 270 N -3.86 3.42 -0.10 1.61 0.41 -0.93 -0.68 118.70 118.58 1qhb s GLU 270 Ca 0.00 -0.67 -0.21 0.00 -0.41 0.00 0.00 54.97 53.69 1qhb s GLU 270 Cb 0.00 -3.59 -0.04 0.00 -1.78 0.00 0.00 34.13 28.72 1qhb s GLU 270 CO 0.00 -0.39 0.58 0.42 -0.49 0.00 0.00 175.26 175.38 1qhb s ILE 271 N 1.64 5.12 -0.25 -1.63 1.01 0.46 -1.64 121.20 125.91 1qhb s ILE 271 Ca 0.05 1.18 -0.29 0.00 0.00 0.00 0.00 60.65 61.59 1qhb s ILE 271 Cb -0.17 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 1qhb s ILE 271 CO 0.07 0.29 1.64 0.00 0.00 0.00 0.00 174.94 176.93 1qhb s ALA 272 N 0.73 3.18 -0.71 9.38 0.00 -1.26 -1.10 121.76 131.98 1qhb s ALA 272 Ca 0.31 0.39 -0.00 0.00 0.00 0.00 0.00 51.96 52.66 1qhb s ALA 272 Cb -0.16 -3.89 0.18 0.00 0.00 0.00 0.00 23.12 19.25 1qhb s ALA 272 CO 0.14 -2.10 0.53 -0.47 0.00 0.00 0.00 175.76 173.86 1qhb s TYR 273 N 5.52 3.55 0.00 0.00 5.04 -0.03 -4.88 117.35 126.55 1qhb s TYR 273 Ca 0.72 -2.98 0.00 0.00 -2.44 0.00 0.00 57.07 52.37 1qhb s TYR 273 Cb -0.24 -3.08 0.00 0.00 0.35 0.00 0.00 41.96 38.99 1qhb s TYR 273 CO 0.30 -0.74 0.00 0.41 -1.34 0.00 0.00 175.55 174.18 1qhb n GLY 274 N 2.82 3.10 0.60 8.97 0.00 -1.26 -2.05 105.19 117.38 1qhb n GLY 274 Ca 0.14 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1qhb n GLY 274 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qhb n SER 275 N 9.26 2.36 -3.08 1.61 7.64 -1.26 -4.93 113.62 125.21 1qhb n SER 275 Ca 0.00 -1.66 -0.12 0.00 1.01 0.00 0.00 58.87 58.10 1qhb n SER 275 Cb 0.00 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.12 1qhb n SER 275 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1qhb n ILE 276 N 0.77 0.00 -4.23 0.44 -5.35 -0.87 -5.11 119.36 105.01 1qhb n ILE 276 Ca 0.09 -0.92 -0.13 0.00 -0.27 0.00 0.00 62.75 61.52 1qhb n ILE 276 Cb 0.37 0.01 -0.10 0.00 -1.74 0.00 0.00 39.64 38.18 1qhb n ILE 276 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1qhb s THR 277 N -1.49 1.01 -0.12 7.28 -4.23 -1.26 -0.85 115.64 115.98 1qhb s THR 277 Ca 0.04 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.54 1qhb s THR 277 Cb -0.00 -1.83 -0.01 0.00 1.34 0.00 0.00 72.50 72.00 1qhb s THR 277 CO 0.03 -0.76 -0.15 -0.63 -0.54 0.00 0.00 174.62 172.57 1qhb s ILE 278 N -3.43 2.91 -0.12 2.99 1.01 -0.26 -4.86 121.20 119.44 1qhb s ILE 278 Ca 0.16 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.93 1qhb s ILE 278 Cb 0.04 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 1qhb s ILE 278 CO -0.01 0.53 0.41 -0.55 0.00 0.00 0.00 174.94 175.32 1qhb s SER 279 N 0.32 6.62 0.00 3.58 0.15 -1.26 -0.40 113.70 122.70 1qhb s SER 279 Ca -0.12 0.73 0.30 0.00 0.70 0.00 0.00 55.95 57.57 1qhb s SER 279 Cb -0.16 -2.25 1.51 0.00 -1.71 0.00 0.00 66.02 63.41 1qhb s SER 279 CO 0.06 0.07 2.05 0.00 1.20 0.00 0.00 173.24 176.63 1qhb n GLN 280 N 3.41 0.41 -2.54 5.44 1.13 0.15 -4.81 117.38 120.56 1qhb n GLN 280 Ca -0.09 -0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.55 1qhb n GLN 280 Cb 0.52 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.33 1qhb n GLN 280 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1qhb s ARG 281 N -2.59 4.58 0.17 -1.09 0.52 -1.26 -4.58 118.95 114.70 1qhb s ARG 281 Ca 0.28 1.67 0.04 0.00 -0.52 0.00 0.00 55.73 57.20 1qhb s ARG 281 Cb 0.20 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 1qhb s ARG 281 CO 0.46 0.04 0.21 0.54 0.02 0.00 0.00 175.30 176.57 1qhb s VAL 282 N 0.06 4.83 0.62 3.52 0.11 -0.13 -4.70 120.40 124.71 1qhb s VAL 282 Ca 0.51 -0.96 -0.19 0.00 -2.93 0.00 0.00 61.98 58.41 1qhb s VAL 282 Cb -0.28 -3.49 -0.02 0.00 -1.53 0.00 0.00 36.38 31.05 1qhb s VAL 282 CO 0.33 -0.13 1.26 -0.13 -3.33 0.00 0.00 175.10 173.10 1qhb s ARG 283 N -3.25 2.76 -0.42 1.54 1.81 -1.26 -1.96 118.95 118.17 1qhb s ARG 283 Ca 0.33 1.98 -0.11 0.00 -1.72 0.00 0.00 55.73 56.21 1qhb s ARG 283 Cb -0.10 -1.90 0.07 0.00 -0.45 0.00 0.00 34.95 32.56 1qhb s ARG 283 CO 0.26 -1.41 0.27 0.42 -0.68 0.00 0.00 175.30 174.15 1qhb s ILE 284 N -1.46 4.46 0.40 1.52 1.01 -1.26 -4.89 121.20 120.97 1qhb s ILE 284 Ca 0.80 -1.24 -0.25 0.00 0.00 0.00 0.00 60.65 59.97 1qhb s ILE 284 Cb -0.35 -3.67 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 1qhb s ILE 284 CO 0.37 -0.46 1.10 0.00 0.00 0.00 0.00 174.94 175.95 1qhb s ALA 285 N 1.49 3.11 -0.29 9.38 0.00 -1.26 -0.82 121.76 133.36 1qhb s ALA 285 Ca 0.03 0.81 -0.38 0.00 0.00 0.00 0.00 51.96 52.42 1qhb s ALA 285 Cb -0.22 -3.32 -0.14 0.00 0.00 0.00 0.00 23.12 19.44 1qhb s ALA 285 CO 0.04 -0.35 1.94 2.41 0.00 0.00 0.00 175.76 179.80 1qhb n THR 286 N 0.00 0.29 -1.72 0.00 -1.04 -0.75 -4.77 114.28 106.29 1qhb n THR 286 Ca 0.05 -0.13 -0.42 0.00 -2.04 0.00 0.00 64.05 61.51 1qhb n THR 286 Cb 0.48 -1.42 -0.01 0.00 -1.82 0.00 0.00 70.33 67.57 1qhb n THR 286 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1qhb n PRO 287 N 6.66 2.31 -0.91 -2.82 -0.02 -1.26 -2.72 135.00 136.23 1qhb n PRO 287 Ca 0.33 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.62 1qhb n PRO 287 Cb 0.18 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1qhb n PRO 287 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qhb n GLY 288 N 0.89 0.65 3.35 -1.23 0.00 -1.26 -4.99 105.19 102.61 1qhb n GLY 288 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1qhb n GLY 288 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qhb s ARG 289 N -0.32 3.06 0.32 1.61 3.52 -1.10 -5.03 118.95 121.01 1qhb s ARG 289 Ca 0.00 -0.89 0.10 0.00 -0.13 0.00 0.00 55.73 54.81 1qhb s ARG 289 Cb 0.00 -3.44 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 1qhb s ARG 289 CO 0.00 -0.48 -0.04 -0.51 -0.81 0.00 0.00 175.30 173.45 1qhb s ASP 290 N 1.51 4.06 0.33 -2.12 1.01 -1.26 -4.92 116.67 115.27 1qhb s ASP 290 Ca 0.02 -0.98 0.08 0.00 0.71 0.00 0.00 52.55 52.38 1qhb s ASP 290 Cb -0.18 -0.51 -0.06 0.00 1.01 0.00 0.00 42.92 43.18 1qhb s ASP 290 CO 0.03 -0.15 -0.05 -0.36 0.21 0.00 0.00 175.17 174.85 1qhb s PHE 291 N -2.50 2.21 -1.40 4.23 0.08 0.36 -4.82 117.98 116.13 1qhb s PHE 291 Ca 0.33 -0.64 -0.09 0.00 0.12 0.00 0.00 56.93 56.65 1qhb s PHE 291 Cb -0.01 -1.32 0.04 0.00 -0.57 0.00 0.00 43.02 41.15 1qhb s PHE 291 CO 0.18 0.40 1.04 -1.33 -0.10 0.00 0.00 175.22 175.41 1qhb n MET 292 N -0.73 -6.61 0.00 0.44 2.81 -1.26 -1.24 117.12 110.53 1qhb n MET 292 Ca -0.05 0.72 0.11 0.00 -1.81 0.00 0.00 57.70 56.68 1qhb n MET 292 Cb 0.64 -5.66 0.08 0.00 -0.71 0.00 0.00 33.22 27.57 1qhb n MET 292 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1qhb n THR 293 N -4.72 0.00 -4.73 2.03 -2.24 -1.26 -4.73 114.28 98.63 1qhb n THR 293 Ca -0.04 -0.47 -0.33 0.00 -2.27 0.00 0.00 64.05 60.94 1qhb n THR 293 Cb 0.57 1.45 -0.14 0.00 -2.10 0.00 0.00 70.33 70.11 1qhb n THR 293 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qhb s ASP 294 N -2.00 4.17 0.18 3.42 2.15 -1.26 -4.80 116.67 118.53 1qhb s ASP 294 Ca 0.26 -0.26 -0.15 0.00 0.43 0.00 0.00 52.55 52.83 1qhb s ASP 294 Cb 0.19 -1.51 0.16 0.00 -0.30 0.00 0.00 42.92 41.46 1qhb s ASP 294 CO 0.33 0.20 1.67 0.25 -0.17 0.00 0.00 175.17 177.45 1qhb h LEU 295 N 6.44 -0.30 -0.72 -1.34 5.85 -1.93 -0.67 115.31 122.64 1qhb h LEU 295 Ca -0.30 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1qhb h LEU 295 Cb 1.20 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.44 1qhb h LEU 295 CO 0.56 -0.11 0.34 0.11 -0.34 0.00 0.00 178.44 179.00 1qhb h LYS 296 N 0.07 1.04 -0.65 1.25 1.57 -1.96 -0.36 116.57 117.52 1qhb h LYS 296 Ca 0.24 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1qhb h LYS 296 Cb 0.36 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1qhb h LYS 296 CO -0.44 0.82 0.11 0.28 -0.57 0.00 0.00 179.45 179.65 1qhb h VAL 297 N 1.00 1.26 -0.18 0.50 2.07 -1.89 -0.88 116.25 118.14 1qhb h VAL 297 Ca 0.25 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1qhb h VAL 297 Cb 0.12 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1qhb h VAL 297 CO -0.03 0.38 0.12 0.15 0.02 0.00 0.00 177.57 178.21 1qhb h PHE 298 N 1.00 0.23 -0.80 1.57 3.04 -0.61 -0.18 116.94 121.18 1qhb h PHE 298 Ca 0.20 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.16 1qhb h PHE 298 Cb 0.43 -0.08 -0.04 0.00 2.56 0.00 0.00 35.95 38.83 1qhb h PHE 298 CO 0.03 0.16 0.51 -0.07 -2.02 0.00 0.00 178.31 176.92 1qhb h LEU 299 N 0.24 0.94 -0.64 0.59 3.38 -0.88 -1.02 115.31 117.92 1qhb h LEU 299 Ca 0.07 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1qhb h LEU 299 Cb -0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1qhb h LEU 299 CO -0.01 0.70 0.31 0.44 0.09 0.00 0.00 178.44 179.97 1qhb h ASP 300 N 1.10 0.83 -0.73 -0.43 3.32 -0.43 0.55 116.42 120.63 1qhb h ASP 300 Ca 0.29 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 1qhb h ASP 300 Cb -0.09 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 1qhb h ASP 300 CO -0.06 0.73 0.27 0.58 -1.72 0.00 0.00 179.24 179.03 1qhb h VAL 301 N 0.88 1.25 0.00 -1.35 2.07 -0.36 0.20 116.25 118.95 1qhb h VAL 301 Ca 0.22 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1qhb h VAL 301 Cb 0.11 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1qhb h VAL 301 CO -0.03 0.34 -0.01 1.56 0.02 0.00 0.00 177.57 179.45 1qhb h GLN 302 N 1.09 0.00 -0.61 1.57 1.08 -0.31 -0.75 115.11 117.17 1qhb h GLN 302 Ca 0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 1qhb h GLN 302 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1qhb h GLN 302 CO -0.02 0.01 0.00 -0.25 -0.95 0.00 0.00 178.83 177.62 1qhb n ASP 303 N -3.10 3.62 0.00 1.46 8.00 0.10 -0.44 116.55 126.19 1qhb n ASP 303 Ca 0.00 -2.28 0.00 0.00 0.71 0.00 0.00 54.79 53.22 1qhb n ASP 303 Cb 0.28 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 1qhb n ASP 303 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qhb n ALA 304 N 0.86 0.00 -1.68 2.24 0.00 -0.29 -3.94 120.51 117.71 1qhb n ALA 304 Ca 0.19 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.17 1qhb n ALA 304 Cb 0.67 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.08 1qhb n ALA 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qhb n ALA 305 N -0.39 1.37 -2.72 0.00 0.00 -0.04 -2.09 120.51 116.64 1qhb n ALA 305 Ca 0.00 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 1qhb n ALA 305 Cb 0.00 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 16.97 1qhb n ALA 305 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qhb s ASP 306 N 2.32 6.44 0.00 0.00 -1.08 -0.05 -4.71 116.67 119.59 1qhb s ASP 306 Ca 0.84 -1.44 0.21 0.00 -0.52 0.00 0.00 52.55 51.65 1qhb s ASP 306 Cb -0.64 -2.49 0.65 0.00 -1.46 0.00 0.00 42.92 38.98 1qhb s ASP 306 CO 0.42 -1.40 1.50 0.49 0.52 0.00 0.00 175.17 176.70 1qhb n PHE 307 N 8.01 0.28 -1.63 -5.34 3.72 -1.26 -4.80 117.46 116.43 1qhb n PHE 307 Ca 0.20 -0.14 -0.45 0.00 -0.05 0.00 0.00 57.45 57.01 1qhb n PHE 307 Cb 0.49 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.01 1qhb n PHE 307 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1qhb n ARG 308 N 0.63 1.65 -0.59 -1.08 1.74 -1.26 -2.72 116.66 115.04 1qhb n ARG 308 Ca 0.17 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 1qhb n ARG 308 Cb 0.40 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 1qhb n ARG 308 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qhb n GLY 309 N 1.61 0.73 0.01 -0.13 0.00 -1.26 -4.96 105.19 101.19 1qhb n GLY 309 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1qhb n GLY 309 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1qhb n PHE 310 N -2.41 0.05 -1.51 1.61 7.35 -1.10 -4.91 117.46 116.54 1qhb n PHE 310 Ca 0.00 0.01 -0.32 0.00 -0.76 0.00 0.00 57.45 56.38 1qhb n PHE 310 Cb 0.00 -0.38 0.07 0.00 0.35 0.00 0.00 39.48 39.52 1qhb n PHE 310 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1qhb s GLU 311 N -3.01 2.46 0.19 -4.13 8.01 -1.26 -5.01 118.70 115.95 1qhb s GLU 311 Ca 0.12 1.36 0.08 0.00 0.01 0.00 0.00 54.97 56.55 1qhb s GLU 311 Cb 0.18 -1.91 -0.04 0.00 -4.31 0.00 0.00 34.13 28.05 1qhb s GLU 311 CO 0.63 -1.51 -0.05 -1.54 0.01 0.00 0.00 175.26 172.80 1qhb s SER 312 N -2.80 4.46 0.07 -0.19 1.04 -1.26 -5.08 113.70 109.94 1qhb s SER 312 Ca 0.66 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 56.57 1qhb s SER 312 Cb -0.20 -0.83 -0.04 0.00 0.10 0.00 0.00 66.02 65.05 1qhb s SER 312 CO 0.47 0.08 -0.05 -0.31 0.98 0.00 0.00 173.24 174.41 1qhb s TYR 313 N -1.81 0.68 0.29 5.02 1.51 -1.26 -1.80 117.35 119.98 1qhb s TYR 313 Ca 0.27 -0.83 -0.07 0.00 -1.01 0.00 0.00 57.07 55.42 1qhb s TYR 313 Cb -0.09 -0.42 -0.06 0.00 -0.11 0.00 0.00 41.96 41.28 1qhb s TYR 313 CO 0.17 -0.20 0.59 -1.21 -1.11 0.00 0.00 175.55 173.79 1qhb s GLU 314 N -3.15 3.71 0.75 -0.62 2.02 -0.00 -4.82 118.70 116.58 1qhb s GLU 314 Ca 0.03 0.16 -0.15 0.00 0.02 0.00 0.00 54.97 55.03 1qhb s GLU 314 Cb 0.01 -2.60 0.04 0.00 0.10 0.00 0.00 34.13 31.68 1qhb s GLU 314 CO -0.05 0.20 1.22 -2.30 0.02 0.00 0.00 175.26 174.36 1qhb n PRO 315 N -0.75 0.53 0.00 0.39 -0.02 -1.26 -4.41 135.00 129.48 1qhb n PRO 315 Ca -0.00 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1qhb n PRO 315 Cb 0.53 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1qhb n PRO 315 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qhb n GLY 316 N 0.72 -0.81 3.52 -1.23 0.00 -1.26 -4.90 105.19 101.23 1qhb n GLY 316 Ca 0.14 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 1qhb n GLY 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhb s ALA 317 N -1.22 -1.85 0.14 4.61 0.00 -1.26 -4.36 121.76 117.82 1qhb s ALA 317 Ca 0.00 1.19 -0.12 0.00 0.00 0.00 0.00 51.96 53.03 1qhb s ALA 317 Cb 0.00 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.21 1qhb s ALA 317 CO 0.00 -0.56 0.32 -0.98 0.00 0.00 0.00 175.76 174.53 1qhb s ARG 318 N -2.45 1.08 0.54 0.00 1.70 -0.83 -4.84 118.95 114.16 1qhb s ARG 318 Ca 0.02 -0.96 -0.22 0.00 -0.47 0.00 0.00 55.73 54.10 1qhb s ARG 318 Cb -0.01 0.41 -0.05 0.00 -0.57 0.00 0.00 34.95 34.73 1qhb s ARG 318 CO -0.05 -0.40 1.38 -0.51 -1.08 0.00 0.00 175.30 174.64 1qhb s LEU 319 N -2.89 3.87 -0.12 -1.89 1.43 -1.26 -0.96 118.68 116.87 1qhb s LEU 319 Ca 0.09 2.80 -0.38 0.00 -1.03 0.00 0.00 54.13 55.62 1qhb s LEU 319 Cb 0.03 -4.24 -0.15 0.00 0.03 0.00 0.00 46.19 41.85 1qhb s LEU 319 CO -0.06 -1.56 1.63 -0.38 0.23 0.00 0.00 176.35 176.21 1qhb n ILE 320 N -0.97 0.23 -0.01 -0.59 5.41 -1.26 -4.85 119.36 117.32 1qhb n ILE 320 Ca 0.10 -0.04 -0.03 0.00 1.00 0.00 0.00 62.75 63.78 1qhb n ILE 320 Cb 0.44 -1.21 -0.01 0.00 -0.71 0.00 0.00 39.64 38.15 1qhb n ILE 320 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1qhb n ARG 321 N 4.58 0.06 -4.21 0.38 0.63 -1.26 -4.88 116.66 111.96 1qhb n ARG 321 Ca 0.23 0.02 -0.25 0.00 -0.92 0.00 0.00 57.85 56.93 1qhb n ARG 321 Cb 0.18 -0.77 -0.08 0.00 0.45 0.00 0.00 32.46 32.24 1qhb n ARG 321 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1qhb s THR 322 N -2.05 2.41 0.27 5.15 -4.23 -1.26 -1.55 115.64 114.38 1qhb s THR 322 Ca -0.04 -1.77 -0.01 0.00 -1.18 0.00 0.00 61.69 58.69 1qhb s THR 322 Cb 0.01 -2.96 0.27 0.00 1.34 0.00 0.00 72.50 71.16 1qhb s THR 322 CO 0.05 -0.06 1.84 0.40 -0.54 0.00 0.00 174.62 176.32 1qhb h ILE 323 N 1.54 0.96 -0.89 2.99 2.04 -1.40 -0.23 117.51 122.53 1qhb h ILE 323 Ca -0.43 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.13 1qhb h ILE 323 Cb 1.25 -0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 1qhb h ILE 323 CO 0.70 0.18 0.58 -0.09 0.00 0.00 0.00 178.15 179.52 1qhb h ARG 324 N 1.00 1.05 -0.49 2.37 2.43 -0.97 -1.67 114.38 118.10 1qhb h ARG 324 Ca 0.46 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.49 1qhb h ARG 324 Cb 0.38 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1qhb h ARG 324 CO -0.24 0.69 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.46 1qhb h ASP 325 N 1.08 0.81 -0.53 -3.80 3.32 -1.32 0.20 116.42 116.18 1qhb h ASP 325 Ca 0.36 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1qhb h ASP 325 Cb 0.07 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1qhb h ASP 325 CO -0.12 0.89 0.07 0.25 -1.72 0.00 0.00 179.24 178.62 1qhb h LEU 326 N 0.78 0.85 -0.86 1.55 5.85 -1.07 -0.63 115.31 121.79 1qhb h LEU 326 Ca 0.15 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.65 1qhb h LEU 326 Cb 0.50 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 1qhb h LEU 326 CO 0.02 0.90 0.54 0.00 -0.34 0.00 0.00 178.44 179.57 1qhb h ALA 327 N 0.98 1.17 -0.61 1.25 0.00 -0.79 -1.98 119.26 119.28 1qhb h ALA 327 Ca 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1qhb h ALA 327 Cb 0.42 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1qhb h ALA 327 CO 0.01 0.31 0.17 1.15 0.00 0.00 0.00 179.25 180.89 1qhb h THR 328 N 1.00 1.24 -0.27 0.00 2.02 -0.14 -2.55 112.91 114.20 1qhb h THR 328 Ca 0.37 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1qhb h THR 328 Cb 0.13 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1qhb h THR 328 CO -0.16 0.32 0.17 -0.25 0.37 0.00 0.00 175.52 175.98 1qhb h TRP 329 N 0.90 0.35 0.00 3.16 7.01 -0.38 -2.44 115.95 124.55 1qhb h TRP 329 Ca 0.20 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.20 1qhb h TRP 329 Cb 0.30 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 1qhb h TRP 329 CO 0.02 0.24 0.00 1.33 -2.79 0.00 0.00 178.44 177.24 1qhb n VAL 330 N -4.89 0.01 -0.05 2.65 0.24 -0.98 -2.88 118.33 112.43 1qhb n VAL 330 Ca -0.02 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.14 1qhb n VAL 330 Cb 0.04 -0.52 -0.08 0.00 -1.47 0.00 0.00 33.84 31.81 1qhb n VAL 330 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1qhb h HIS 331 N 0.00 0.58 0.00 6.34 6.17 -1.00 -3.38 115.15 123.86 1qhb h HIS 331 Ca 0.00 -0.22 0.00 0.00 0.71 0.00 0.00 60.37 60.86 1qhb h HIS 331 Cb 0.13 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 29.95 1qhb h HIS 331 CO 0.00 0.94 0.00 1.19 0.71 0.00 0.00 177.93 180.77 1qhb n PHE 332 N -4.38 0.00 -1.67 5.26 3.72 -1.25 -5.07 117.46 114.08 1qhb n PHE 332 Ca -0.07 -0.17 -0.38 0.00 -0.05 0.00 0.00 57.45 56.77 1qhb n PHE 332 Cb 0.49 -0.02 0.05 0.00 -0.94 0.00 0.00 39.48 39.06 1qhb n PHE 332 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1qhb n ASP 333 N -0.17 1.59 -4.77 4.37 5.75 -1.14 -4.95 116.55 117.23 1qhb n ASP 333 Ca 0.00 0.90 -0.34 0.00 -0.01 0.00 0.00 54.79 55.33 1qhb n ASP 333 Cb 0.10 -1.46 0.02 0.00 -1.03 0.00 0.00 41.12 38.75 1qhb n ASP 333 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1qhb s SER 334 N -1.07 5.50 0.40 -1.12 1.04 -1.26 -4.90 113.70 112.28 1qhb s SER 334 Ca 0.73 2.13 0.13 0.00 0.48 0.00 0.00 55.95 59.42 1qhb s SER 334 Cb -0.43 -2.57 0.81 0.00 0.10 0.00 0.00 66.02 63.93 1qhb s SER 334 CO 0.49 -1.37 1.89 -0.07 0.98 0.00 0.00 173.24 175.16 1qhb h LEU 335 N 0.82 0.03 -2.91 2.42 4.07 -1.99 -1.85 115.31 115.90 1qhb h LEU 335 Ca -0.49 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.46 1qhb h LEU 335 Cb 1.26 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1qhb h LEU 335 CO 0.56 0.32 0.00 0.00 -1.08 0.00 0.00 178.44 178.24 1qhb n TYR 336 N -4.19 1.29 -0.06 1.13 0.18 -1.26 -4.68 117.16 109.57 1qhb n TYR 336 Ca -0.02 -0.55 -0.09 0.00 1.88 0.00 0.00 57.90 59.12 1qhb n TYR 336 Cb 0.34 -0.15 -0.03 0.00 -0.38 0.00 0.00 39.34 39.12 1qhb n TYR 336 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1qhb h GLU 337 N 4.13 -0.30 -0.83 -3.48 4.81 -1.69 -1.62 114.58 115.60 1qhb h GLU 337 Ca 0.00 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.35 1qhb h GLU 337 Cb 1.26 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.65 1qhb h GLU 337 CO 0.14 -0.20 0.54 0.00 -0.73 0.00 0.00 179.01 178.76 1qhb h ALA 338 N 0.60 1.73 0.08 2.92 0.00 -1.83 -0.77 119.26 121.98 1qhb h ALA 338 Ca 0.13 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.76 1qhb h ALA 338 Cb 0.54 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1qhb h ALA 338 CO -0.45 0.10 -1.38 1.88 0.00 0.00 0.00 179.25 179.40 1qhb h TYR 339 N 0.77 0.30 -0.53 0.00 0.05 -1.77 -1.83 116.97 113.96 1qhb h TYR 339 Ca 0.38 -0.22 -0.05 0.00 0.05 0.00 0.00 58.73 58.89 1qhb h TYR 339 Cb 0.44 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.15 1qhb h TYR 339 CO -0.00 1.23 0.12 1.25 -1.05 0.00 0.00 178.16 179.71 1qhb h LEU 340 N 0.04 0.80 -0.63 3.88 5.85 -1.08 -0.14 115.31 124.04 1qhb h LEU 340 Ca -0.18 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.24 1qhb h LEU 340 Cb 1.95 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.74 1qhb h LEU 340 CO 0.15 0.83 0.14 0.78 -0.34 0.00 0.00 178.44 180.00 1qhb h ASN 341 N 0.74 0.97 -0.46 1.25 -0.26 -1.09 -0.42 115.58 116.31 1qhb h ASN 341 Ca 0.17 -0.24 -0.04 0.00 -0.56 0.00 0.00 56.30 55.63 1qhb h ASN 341 Cb 0.34 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 1qhb h ASN 341 CO 0.00 0.96 0.15 0.00 -1.06 0.00 0.00 177.43 177.48 1qhb h ALA 342 N 1.04 0.60 -0.61 -0.83 0.00 -1.24 -1.95 119.26 116.27 1qhb h ALA 342 Ca 0.20 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1qhb h ALA 342 Cb 0.38 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1qhb h ALA 342 CO 0.01 0.25 0.26 0.00 0.00 0.00 0.00 179.25 179.77 1qhb h LEU 344 N 0.46 0.35 -0.06 0.00 3.38 -0.70 -0.83 115.31 117.91 1qhb h LEU 344 Ca 0.30 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1qhb h LEU 344 Cb 0.33 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1qhb h LEU 344 CO -0.27 0.40 -0.06 0.40 0.09 0.00 0.00 178.44 179.00 1qhb h ILE 345 N 0.38 1.37 -0.82 1.22 2.04 -0.71 -1.62 117.51 119.37 1qhb h ILE 345 Ca 0.09 -1.22 0.07 0.00 1.00 0.00 0.00 64.86 64.80 1qhb h ILE 345 Cb 0.23 2.04 -0.06 0.00 -0.74 0.00 0.00 36.82 38.29 1qhb h ILE 345 CO 0.00 0.34 0.50 -0.07 0.00 0.00 0.00 178.15 178.91 1qhb h LEU 346 N -0.28 0.76 -0.28 1.44 3.38 -1.03 0.68 115.31 119.99 1qhb h LEU 346 Ca 0.01 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1qhb h LEU 346 Cb 0.57 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1qhb h LEU 346 CO 0.02 0.48 -0.25 -0.07 0.09 0.00 0.00 178.44 178.70 1qhb h LEU 347 N 0.89 0.70 -0.77 1.67 3.38 -1.13 -2.08 115.31 117.99 1qhb h LEU 347 Ca 0.37 -0.46 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 1qhb h LEU 347 Cb 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1qhb h LEU 347 CO -0.19 1.02 -0.46 0.00 0.09 0.00 0.00 178.44 178.90 1qhb h ALA 348 N 0.70 0.94 -0.00 1.53 0.00 -0.99 -2.85 119.26 118.59 1qhb h ALA 348 Ca 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1qhb h ALA 348 Cb 0.81 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1qhb h ALA 348 CO 0.06 0.64 -0.05 0.09 0.00 0.00 0.00 179.25 179.99 1qhb n ASN 349 N -3.99 0.17 -0.58 0.00 4.13 0.21 -4.57 115.26 110.63 1qhb n ASN 349 Ca -0.02 -0.27 -0.06 0.00 1.68 0.00 0.00 54.58 55.91 1qhb n ASN 349 Cb 0.53 -0.20 -0.01 0.00 -1.54 0.00 0.00 39.78 38.56 1qhb n ASN 349 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qhb n GLY 350 N 1.30 0.33 3.77 7.41 0.00 -1.01 -5.00 105.19 111.98 1qhb n GLY 350 Ca 0.14 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 1qhb n GLY 350 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qhb s VAL 351 N -2.26 2.44 0.58 1.61 1.01 -0.81 -4.94 120.40 118.02 1qhb s VAL 351 Ca 0.00 0.44 -0.18 0.00 0.00 0.00 0.00 61.98 62.24 1qhb s VAL 351 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1qhb s VAL 351 CO 0.00 0.10 1.12 -2.84 0.00 0.00 0.00 175.10 173.48 1qhb s PRO 352 N -1.80 3.22 0.71 2.72 0.02 -1.26 -4.85 135.00 133.75 1qhb s PRO 352 Ca 0.51 1.52 -0.11 0.00 0.02 0.00 0.00 61.00 62.95 1qhb s PRO 352 Cb -0.43 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.11 1qhb s PRO 352 CO 0.56 -0.94 1.06 -0.06 -0.33 0.00 0.00 177.00 177.29 1qhb s PHE 353 N -1.96 3.11 -0.05 6.54 0.08 -1.26 -1.04 117.98 123.40 1qhb s PHE 353 Ca 0.71 1.36 -0.38 0.00 0.12 0.00 0.00 56.93 58.73 1qhb s PHE 353 Cb -0.22 -2.91 -0.16 0.00 -0.57 0.00 0.00 43.02 39.15 1qhb s PHE 353 CO 0.31 -1.28 1.50 -3.47 -0.10 0.00 0.00 175.22 172.18 1qhb n ASP 354 N -3.15 1.95 0.13 1.36 -0.08 0.27 -3.92 116.55 113.10 1qhb n ASP 354 Ca 0.07 1.10 0.12 0.00 -1.51 0.00 0.00 54.79 54.57 1qhb n ASP 354 Cb 0.54 -1.18 0.49 0.00 2.34 0.00 0.00 41.12 43.31 1qhb n ASP 354 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1qhb n PRO 355 N 3.63 0.19 0.00 -0.67 -0.04 -1.26 -1.88 135.00 134.97 1qhb n PRO 355 Ca 0.21 0.42 0.15 0.00 -0.04 0.00 0.00 63.50 64.25 1qhb n PRO 355 Cb 0.17 -1.86 0.80 0.00 -0.04 0.00 0.00 33.50 32.57 1qhb n PRO 355 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qhb n ASN 356 N -2.21 0.01 -4.84 3.54 3.02 -1.26 -4.83 115.26 108.70 1qhb n ASN 356 Ca 0.02 -0.34 -0.31 0.00 -0.03 0.00 0.00 54.58 53.92 1qhb n ASN 356 Cb 0.22 -0.22 0.04 0.00 -0.61 0.00 0.00 39.78 39.22 1qhb n ASN 356 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qhb s LEU 357 N -2.44 3.09 0.60 3.41 1.43 -0.79 -3.39 118.68 120.60 1qhb s LEU 357 Ca 0.33 1.50 -0.16 0.00 -1.03 0.00 0.00 54.13 54.77 1qhb s LEU 357 Cb 0.21 -4.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 1qhb s LEU 357 CO 0.44 -1.34 1.08 -2.84 0.23 0.00 0.00 176.35 173.92 1qhb s PRO 358 N -5.11 3.19 -1.50 1.29 0.02 -1.26 -4.18 135.00 127.45 1qhb s PRO 358 Ca 0.57 1.30 -0.12 0.00 0.02 0.00 0.00 61.00 62.77 1qhb s PRO 358 Cb -0.13 -2.01 0.07 0.00 0.02 0.00 0.00 34.50 32.45 1qhb s PRO 358 CO 0.54 -0.93 1.00 1.19 -0.33 0.00 0.00 177.00 178.47 1qhb n PHE 359 N -2.04 -2.36 1.23 6.54 3.72 -1.26 -4.90 117.46 118.39 1qhb n PHE 359 Ca 0.09 0.92 0.13 0.00 -0.05 0.00 0.00 57.45 58.54 1qhb n PHE 359 Cb 0.52 -4.14 0.29 0.00 -0.94 0.00 0.00 39.48 35.22 1qhb n PHE 359 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1qhb n GLN 360 N -4.71 1.65 -1.50 -1.08 1.13 -1.26 -4.72 117.38 106.89 1qhb n GLN 360 Ca 0.02 -1.17 -0.30 0.00 -1.94 0.00 0.00 57.00 53.61 1qhb n GLN 360 Cb 0.54 -1.48 0.22 0.00 0.11 0.00 0.00 30.24 29.63 1qhb n GLN 360 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1qhb s GLN 361 N -2.16 -0.42 0.63 -1.09 -0.21 -1.26 -4.99 119.66 110.15 1qhb s GLN 361 Ca 0.30 -0.28 -0.18 0.00 0.02 0.00 0.00 55.36 55.22 1qhb s GLN 361 Cb 0.20 -1.71 -0.02 0.00 1.00 0.00 0.00 33.01 32.48 1qhb s GLN 361 CO 0.39 -3.14 1.21 -1.21 -2.12 0.00 0.00 175.29 170.42 1qhb s GLU 362 N -5.68 2.78 0.55 2.91 2.02 -1.26 -4.82 118.70 115.20 1qhb s GLU 362 Ca 0.73 1.81 0.22 0.00 0.02 0.00 0.00 54.97 57.74 1qhb s GLU 362 Cb -0.06 -1.91 1.46 0.00 0.10 0.00 0.00 34.13 33.72 1qhb s GLU 362 CO 0.55 -1.35 2.16 -0.44 0.02 0.00 0.00 175.26 176.20 1qhb h ASP 363 N 0.60 0.00 0.47 -0.19 3.32 -1.94 0.32 116.42 119.00 1qhb h ASP 363 Ca -0.50 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 1qhb h ASP 363 Cb 1.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 1qhb h ASP 363 CO 0.54 0.00 -0.11 0.07 -1.72 0.00 0.00 179.24 178.02 1qhb h LYS 364 N 0.00 0.00 0.01 3.56 2.10 -1.98 0.61 116.57 120.87 1qhb h LYS 364 Ca 0.03 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.36 1qhb h LYS 364 Cb 0.13 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.41 1qhb h LYS 364 CO -0.00 0.11 -1.95 1.28 -2.00 0.00 0.00 179.45 176.89 1qhb n LEU 365 N -3.50 0.96 0.00 7.07 4.77 0.08 -4.61 117.00 121.76 1qhb n LEU 365 Ca -0.01 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1qhb n LEU 365 Cb 0.25 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1qhb n LEU 365 CO 0.29 0.50 0.23 -0.90 -1.33 0.00 0.00 177.39 176.18 1qhb n ASP 366 N -3.03 0.91 -2.13 -1.43 5.68 -1.07 -5.02 116.55 110.45 1qhb n ASP 366 Ca -0.24 -1.01 -0.15 0.00 -0.50 0.00 0.00 54.79 52.89 1qhb n ASP 366 Cb 1.08 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 41.03 1qhb n ASP 366 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1qhb n ASN 367 N -0.00 -4.41 -3.52 -1.12 3.02 0.21 -4.92 115.26 104.51 1qhb n ASN 367 Ca 0.00 0.20 -0.12 0.00 -0.03 0.00 0.00 54.58 54.63 1qhb n ASN 367 Cb 0.03 -3.81 -0.11 0.00 -0.61 0.00 0.00 39.78 35.28 1qhb n ASN 367 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1qhb s GLN 368 N -4.51 0.25 0.66 3.52 2.00 -1.26 -5.09 119.66 115.24 1qhb s GLN 368 Ca 0.00 0.61 -0.04 0.00 -2.00 0.00 0.00 55.36 53.93 1qhb s GLN 368 Cb 0.00 -0.37 0.06 0.00 0.80 0.00 0.00 33.01 33.50 1qhb s GLN 368 CO 0.00 -0.48 0.95 0.34 -0.50 0.00 0.00 175.29 175.60 1qhb s ASP 369 N 2.48 4.87 0.07 6.67 -1.08 -1.26 -4.84 116.67 123.57 1qhb s ASP 369 Ca 0.06 0.24 0.08 0.00 -0.52 0.00 0.00 52.55 52.41 1qhb s ASP 369 Cb -0.14 -0.92 -0.03 0.00 -1.46 0.00 0.00 42.92 40.37 1qhb s ASP 369 CO -0.12 -1.51 -0.23 0.68 0.52 0.00 0.00 175.17 174.51 1qhb s VAL 370 N -3.10 1.85 0.00 1.11 -7.23 -1.26 -5.02 120.40 106.74 1qhb s VAL 370 Ca 0.60 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 1qhb s VAL 370 Cb -0.10 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.22 1qhb s VAL 370 CO 0.43 0.16 0.00 0.33 -0.31 0.00 0.00 175.10 175.71 1qhb n PHE 371 N 1.54 -0.48 0.25 2.82 7.35 -1.26 -4.42 117.46 123.26 1qhb n PHE 371 Ca -0.18 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.34 1qhb n PHE 371 Cb 0.53 0.10 -0.10 0.00 0.35 0.00 0.00 39.48 40.36 1qhb n PHE 371 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1qhb h VAL 372 N 0.00 0.03 -3.18 -2.13 2.07 -1.94 -2.67 116.25 108.42 1qhb h VAL 372 Ca 0.00 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.85 1qhb h VAL 372 Cb 0.00 0.03 -0.14 0.00 -1.52 0.00 0.00 31.29 29.66 1qhb h VAL 372 CO 0.00 0.00 -0.59 0.20 0.02 0.00 0.00 177.57 177.20 1qhb s ASN 373 N -4.46 5.48 0.00 0.57 0.01 -1.26 -3.32 114.94 111.97 1qhb s ASN 373 Ca -0.18 0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.16 1qhb s ASN 373 Cb 0.05 -1.66 0.00 0.00 0.41 0.00 0.00 41.25 40.05 1qhb s ASN 373 CO 0.61 0.35 0.00 0.49 -1.51 0.00 0.00 177.10 177.04 1qhb n PHE 374 N 2.33 0.00 -3.00 2.20 3.72 -1.26 -4.81 117.46 116.65 1qhb n PHE 374 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1qhb n PHE 374 Cb 0.54 -1.21 0.00 0.00 -0.94 0.00 0.00 39.48 37.87 1qhb n PHE 374 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qhb n GLY 375 N -0.96 6.92 0.27 1.37 0.00 -1.17 -4.75 105.19 106.87 1qhb n GLY 375 Ca 0.00 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 1qhb n GLY 375 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qhb h SER 376 N 0.00 0.87 -0.46 1.61 4.64 -1.76 -2.66 113.55 115.80 1qhb h SER 376 Ca 0.00 -0.32 -0.09 0.00 -0.47 0.00 0.00 61.79 60.91 1qhb h SER 376 Cb 0.00 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 1qhb h SER 376 CO 0.00 1.06 -0.03 0.00 -0.87 0.00 0.00 176.83 176.99 1qhb h ALA 377 N 1.01 0.98 0.41 5.18 0.00 -1.78 -1.43 119.26 123.63 1qhb h ALA 377 Ca 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1qhb h ALA 377 Cb 0.75 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1qhb h ALA 377 CO 0.06 0.62 -0.20 1.25 0.00 0.00 0.00 179.25 180.97 1qhb h HIS 378 N 0.82 -0.53 -0.32 0.00 6.17 -1.29 -2.03 115.15 117.97 1qhb h HIS 378 Ca 0.15 -0.01 -0.09 0.00 0.71 0.00 0.00 60.37 61.13 1qhb h HIS 378 Cb 0.52 0.18 -0.02 0.00 2.52 0.00 0.00 27.41 30.61 1qhb h HIS 378 CO 0.03 -0.33 -0.18 -0.24 0.71 0.00 0.00 177.93 177.93 1qhb h VAL 379 N -0.56 1.26 -0.31 5.26 3.04 -1.47 -1.64 116.25 121.82 1qhb h VAL 379 Ca -0.05 -1.19 -0.04 0.00 -1.01 0.00 0.00 66.70 64.41 1qhb h VAL 379 Cb 0.43 1.21 -0.02 0.00 -2.01 0.00 0.00 31.29 30.90 1qhb h VAL 379 CO 0.09 0.39 0.04 -0.07 -1.01 0.00 0.00 177.57 177.00 1qhb h LEU 380 N 0.53 0.43 0.10 3.16 3.38 -1.13 -0.93 115.31 120.86 1qhb h LEU 380 Ca 0.09 -0.06 -0.31 0.00 0.09 0.00 0.00 57.88 57.69 1qhb h LEU 380 Cb 0.61 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1qhb h LEU 380 CO 0.04 0.47 -1.57 0.28 0.09 0.00 0.00 178.44 177.75 1qhb h SER 381 N 0.45 0.34 -0.56 -0.43 0.02 -1.10 -3.36 113.55 108.92 1qhb h SER 381 Ca 0.10 -0.51 -0.09 0.00 -0.84 0.00 0.00 61.79 60.46 1qhb h SER 381 Cb 0.24 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1qhb h SER 381 CO 0.00 1.43 0.01 0.25 -1.14 0.00 0.00 176.83 177.38 1qhb h LEU 382 N 0.06 0.95 -1.62 5.07 5.85 -1.16 -0.49 115.31 123.97 1qhb h LEU 382 Ca -0.25 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.13 1qhb h LEU 382 Cb 2.01 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 1qhb h LEU 382 CO 0.15 1.02 -0.10 1.62 -0.34 0.00 0.00 178.44 180.79 1qhb h VAL 383 N 0.86 1.12 0.02 1.05 3.04 -1.33 -2.99 116.25 118.02 1qhb h VAL 383 Ca 0.16 -0.53 -0.30 0.00 -1.01 0.00 0.00 66.70 65.02 1qhb h VAL 383 Cb 0.53 1.18 -0.04 0.00 -2.01 0.00 0.00 31.29 30.94 1qhb h VAL 383 CO 0.03 0.16 -1.71 0.71 -1.01 0.00 0.00 177.57 175.75 1qhb h THR 384 N 0.11 0.87 0.00 3.17 1.35 -1.65 -3.37 112.91 113.39 1qhb h THR 384 Ca 0.03 -2.69 -0.06 0.00 -0.55 0.00 0.00 66.41 63.14 1qhb h THR 384 Cb 0.25 2.46 -0.01 0.00 -1.73 0.00 0.00 68.15 69.13 1qhb h THR 384 CO 0.01 0.57 -0.26 1.05 -0.25 0.00 0.00 175.52 176.64 1qhb h GLU 385 N 0.01 0.00 0.00 4.72 4.11 -0.94 -3.07 114.58 119.41 1qhb h GLU 385 Ca -0.29 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.10 1qhb h GLU 385 Cb 2.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.25 1qhb h GLU 385 CO 0.09 0.26 -0.21 -0.39 0.07 0.00 0.00 179.01 178.83 1qhb h VAL 386 N 0.00 0.53 -0.49 -1.06 -1.51 -1.70 -3.32 116.25 108.69 1qhb h VAL 386 Ca -0.00 -1.05 0.10 0.00 -1.23 0.00 0.00 66.70 64.52 1qhb h VAL 386 Cb 0.80 1.72 -0.09 0.00 -2.13 0.00 0.00 31.29 31.60 1qhb h VAL 386 CO 0.03 0.20 -0.04 0.00 -1.23 0.00 0.00 177.57 176.54 1qhb h ALA 387 N 1.79 0.42 0.00 5.19 0.00 -1.75 -1.94 119.26 122.97 1qhb h ALA 387 Ca -0.00 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1qhb h ALA 387 Cb 0.70 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1qhb h ALA 387 CO 0.03 -0.41 -0.41 1.79 0.00 0.00 0.00 179.25 180.24 1qhb h THR 388 N 0.07 1.04 -0.37 0.00 1.35 -1.80 -1.48 112.91 111.73 1qhb h THR 388 Ca 0.24 -1.56 -0.11 0.00 -0.55 0.00 0.00 66.41 64.44 1qhb h THR 388 Cb 0.37 1.91 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 1qhb h THR 388 CO -0.44 0.41 -0.19 0.03 -0.25 0.00 0.00 175.52 175.07 1qhb h ARG 389 N 0.00 0.78 -0.52 4.72 -0.00 -1.61 -1.66 114.38 116.08 1qhb h ARG 389 Ca -0.00 -0.34 -0.10 0.00 -0.50 0.00 0.00 59.98 59.03 1qhb h ARG 389 Cb 0.88 -0.02 -0.02 0.00 0.00 0.00 0.00 29.97 30.81 1qhb h ARG 389 CO 0.05 0.96 -0.05 0.00 0.00 0.00 0.00 179.97 180.93 1qhb h ALA 390 N 0.79 0.71 -0.69 0.04 0.00 -1.21 -3.01 119.26 115.88 1qhb h ALA 390 Ca 0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1qhb h ALA 390 Cb 0.74 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1qhb h ALA 390 CO 0.06 0.57 0.31 -0.07 0.00 0.00 0.00 179.25 180.12 1qhb h LEU 391 N 0.83 0.91 -0.64 0.00 3.38 -1.05 -1.99 115.31 116.74 1qhb h LEU 391 Ca 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1qhb h LEU 391 Cb 0.60 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1qhb h LEU 391 CO 0.04 0.79 0.34 0.11 0.09 0.00 0.00 178.44 179.81 1qhb h LYS 392 N 0.99 0.90 -0.48 1.13 1.57 -1.19 -0.76 116.57 118.72 1qhb h LYS 392 Ca 0.24 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1qhb h LYS 392 Cb 0.14 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1qhb h LYS 392 CO -0.03 0.69 -0.05 0.00 -0.57 0.00 0.00 179.45 179.49 1qhb h ALA 393 N 1.16 1.00 0.00 3.86 0.00 -1.33 -2.66 119.26 121.30 1qhb h ALA 393 Ca 0.22 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1qhb h ALA 393 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1qhb h ALA 393 CO -0.03 0.60 -0.27 -0.24 0.00 0.00 0.00 179.25 179.31 1qhb h VAL 394 N 0.77 0.59 -0.55 0.00 3.04 -1.11 -2.83 116.25 116.17 1qhb h VAL 394 Ca 0.14 -1.32 -0.12 0.00 -1.01 0.00 0.00 66.70 64.40 1qhb h VAL 394 Cb 0.53 1.90 -0.02 0.00 -2.01 0.00 0.00 31.29 31.70 1qhb h VAL 394 CO 0.03 0.26 -0.11 0.03 -1.01 0.00 0.00 177.57 176.77 1qhb h ARG 395 N 0.00 1.04 -0.65 4.17 2.47 -0.84 0.15 114.38 120.71 1qhb h ARG 395 Ca -0.00 -0.39 -0.02 0.00 -1.26 0.00 0.00 59.98 58.31 1qhb h ARG 395 Cb 0.88 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.10 1qhb h ARG 395 CO 0.03 1.08 0.31 -0.92 0.56 0.00 0.00 179.97 181.03 1qhb h TYR 396 N 0.92 0.94 0.26 3.04 3.20 -1.28 -0.98 116.97 123.07 1qhb h TYR 396 Ca 0.14 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1qhb h TYR 396 Cb 0.68 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1qhb h TYR 396 CO 0.05 0.71 -0.12 1.96 -1.64 0.00 0.00 178.16 179.11 1qhb h GLN 397 N 0.90 -0.33 0.55 1.82 1.08 -1.24 0.04 115.11 117.93 1qhb h GLN 397 Ca 0.22 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.43 1qhb h GLN 397 Cb 0.12 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1qhb h GLN 397 CO -0.03 -0.20 -0.36 0.87 -0.95 0.00 0.00 178.83 178.17 1qhb h LYS 398 N -0.38 -0.84 0.07 1.46 1.57 -0.53 -1.08 116.57 116.84 1qhb h LYS 398 Ca -0.04 0.06 -0.37 0.00 -1.87 0.00 0.00 60.65 58.43 1qhb h LYS 398 Cb 0.29 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1qhb h LYS 398 CO 0.06 -0.56 -2.11 1.19 -0.57 0.00 0.00 179.45 177.46 1qhb n PHE 399 N -5.49 0.77 0.05 -1.35 3.72 -0.39 -1.35 117.46 113.42 1qhb n PHE 399 Ca -0.12 0.18 -0.03 0.00 -0.05 0.00 0.00 57.45 57.43 1qhb n PHE 399 Cb 0.38 -1.10 -0.08 0.00 -0.94 0.00 0.00 39.48 37.74 1qhb n PHE 399 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1qhb h ASN 400 N -0.12 0.00 0.00 4.37 4.21 -1.15 -3.42 115.58 119.47 1qhb h ASN 400 Ca -0.48 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.03 1qhb h ASN 400 Cb 1.90 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.10 1qhb h ASN 400 CO -0.03 0.77 0.00 -0.38 -1.29 0.00 0.00 177.43 176.50 1qhb n ILE 401 N -3.11 0.00 0.07 2.81 2.08 -0.71 -4.97 119.36 115.54 1qhb n ILE 401 Ca -0.07 0.20 -0.22 0.00 0.56 0.00 0.00 62.75 63.22 1qhb n ILE 401 Cb 0.90 -1.13 -0.15 0.00 -0.75 0.00 0.00 39.64 38.50 1qhb n ILE 401 CO 0.00 0.00 0.00 0.45 0.56 0.00 0.00 176.55 177.56 1qhb h HIS 402 N 0.00 0.69 -6.52 1.39 3.86 -1.38 -3.46 115.15 109.73 1qhb h HIS 402 Ca 0.00 -0.50 -0.51 0.00 -1.16 0.00 0.00 60.37 58.20 1qhb h HIS 402 Cb 0.00 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.38 1qhb h HIS 402 CO 0.00 1.64 -0.89 0.54 0.86 0.00 0.00 177.93 180.08 1qhb n ARG 403 N -3.57 -3.20 -2.43 2.45 1.74 -0.46 -4.90 116.66 106.30 1qhb n ARG 403 Ca -0.24 0.39 -0.42 0.00 -0.77 0.00 0.00 57.85 56.81 1qhb n ARG 403 Cb 1.07 -4.49 -0.03 0.00 -1.02 0.00 0.00 32.46 27.99 1qhb n ARG 403 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1qhb s ARG 404 N -6.59 4.36 0.43 5.56 3.52 -1.26 -0.97 118.95 124.00 1qhb s ARG 404 Ca 0.01 1.72 -0.24 0.00 -0.13 0.00 0.00 55.73 57.08 1qhb s ARG 404 Cb -0.00 -3.52 -0.10 0.00 -1.56 0.00 0.00 34.95 29.76 1qhb s ARG 404 CO 0.89 -0.42 1.04 1.47 -0.81 0.00 0.00 175.30 177.47 1qhb n LEU 405 N 5.00 2.87 -4.82 -0.88 -0.00 -1.23 -1.26 117.00 116.67 1qhb n LEU 405 Ca 0.11 1.03 -0.32 0.00 -0.00 0.00 0.00 56.01 56.83 1qhb n LEU 405 Cb 0.46 -1.37 0.02 0.00 -0.00 0.00 0.00 43.42 42.53 1qhb n LEU 405 CO 0.56 -1.41 0.71 -0.13 -0.00 0.00 0.00 177.39 177.12 1qhb s ARG 406 N -2.10 3.26 0.39 1.47 1.81 -1.26 -4.61 118.95 117.91 1qhb s ARG 406 Ca 0.64 1.02 0.14 0.00 -1.72 0.00 0.00 55.73 55.81 1qhb s ARG 406 Cb -0.54 -2.03 0.97 0.00 -0.45 0.00 0.00 34.95 32.90 1qhb s ARG 406 CO 0.56 -0.84 1.84 -1.35 -0.68 0.00 0.00 175.30 174.83 1qhb h PRO 407 N -0.09 0.51 -0.91 3.54 0.11 -1.80 -0.32 132.00 133.04 1qhb h PRO 407 Ca -0.45 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1qhb h PRO 407 Cb 1.21 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 1qhb h PRO 407 CO 0.58 0.34 0.59 1.05 -0.21 0.00 0.00 178.00 180.35 1qhb h GLU 408 N 0.52 1.05 -0.37 1.05 4.11 -1.93 -1.49 114.58 117.53 1qhb h GLU 408 Ca 0.49 -0.06 -0.11 0.00 0.07 0.00 0.00 59.36 59.74 1qhb h GLU 408 Cb 1.04 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1qhb h GLU 408 CO -0.22 0.70 -0.23 0.00 0.07 0.00 0.00 179.01 179.33 1qhb h ALA 409 N 1.49 0.89 -0.54 1.06 0.00 -1.41 -1.31 119.26 119.44 1qhb h ALA 409 Ca 0.37 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1qhb h ALA 409 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1qhb h ALA 409 CO -0.13 0.62 0.02 1.15 0.00 0.00 0.00 179.25 180.91 1qhb h THR 410 N 0.64 1.25 -0.29 0.00 2.02 -1.24 -1.50 112.91 113.80 1qhb h THR 410 Ca 0.09 -1.05 -0.09 0.00 0.77 0.00 0.00 66.41 66.13 1qhb h THR 410 Cb 0.74 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1qhb h THR 410 CO 0.06 0.38 -0.21 1.23 0.37 0.00 0.00 175.52 177.34 1qhb h GLY 411 N 1.00 0.58 0.99 2.16 0.00 -0.92 -2.01 103.07 104.86 1qhb h GLY 411 Ca 0.16 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1qhb h GLY 411 CO 0.02 0.42 0.28 -1.33 0.00 0.00 0.00 176.54 175.93 1qhb h GLY 412 N 0.99 0.93 0.98 4.60 0.00 -0.87 -0.42 103.07 109.28 1qhb h GLY 412 Ca 0.07 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1qhb h GLY 412 CO 0.04 0.44 0.27 1.41 0.00 0.00 0.00 176.54 178.70 1qhb h LEU 413 N 0.82 0.67 -0.24 3.11 3.38 -0.78 -1.81 115.31 120.46 1qhb h LEU 413 Ca 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1qhb h LEU 413 Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1qhb h LEU 413 CO -0.03 0.59 0.12 0.40 0.09 0.00 0.00 178.44 179.61 1qhb h ILE 414 N 0.70 1.14 -0.01 1.22 2.04 -1.17 -1.66 117.51 119.77 1qhb h ILE 414 Ca 0.18 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1qhb h ILE 414 Cb 0.09 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1qhb h ILE 414 CO -0.03 0.14 0.00 -1.28 0.00 0.00 0.00 178.15 176.99 1qhb h SER 415 N 0.25 0.01 -0.36 1.72 0.87 -0.95 -1.11 113.55 113.98 1qhb h SER 415 Ca 0.08 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1qhb h SER 415 Cb 0.12 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1qhb h SER 415 CO -0.01 0.07 0.21 0.58 -0.53 0.00 0.00 176.83 177.15 1qhb h VAL 416 N -0.05 1.04 -0.29 2.23 2.07 -1.32 -1.97 116.25 117.96 1qhb h VAL 416 Ca 0.00 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1qhb h VAL 416 Cb 0.06 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1qhb h VAL 416 CO -0.00 0.08 0.16 -1.13 0.02 0.00 0.00 177.57 176.70 1qhb h ASN 417 N 0.43 0.36 -0.53 0.57 -0.73 -1.18 -1.75 115.58 112.75 1qhb h ASN 417 Ca 0.14 -0.07 -0.07 0.00 1.87 0.00 0.00 56.30 58.16 1qhb h ASN 417 Cb -0.00 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.48 1qhb h ASN 417 CO -0.06 0.33 0.04 0.50 -0.37 0.00 0.00 177.43 177.87 1qhb h LYS 418 N 0.36 0.91 -0.61 6.67 3.64 -1.09 -1.61 116.57 124.83 1qhb h LYS 418 Ca 0.10 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.19 1qhb h LYS 418 Cb 0.05 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1qhb h LYS 418 CO -0.02 0.91 0.30 -0.91 -2.27 0.00 0.00 179.45 177.46 1qhb h ASN 419 N 0.79 0.80 -0.50 4.20 2.35 -1.33 -2.49 115.58 119.39 1qhb h ASN 419 Ca 0.16 -0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1qhb h ASN 419 Cb 0.47 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 1qhb h ASN 419 CO 0.02 0.70 0.31 0.00 -1.65 0.00 0.00 177.43 176.80 1qhb h ALA 420 N 1.13 0.63 -0.62 -0.83 0.00 -1.16 -2.84 119.26 115.57 1qhb h ALA 420 Ca 0.21 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1qhb h ALA 420 Cb 0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1qhb h ALA 420 CO -0.03 0.02 0.29 0.35 0.00 0.00 0.00 179.25 179.88 1qhb h PHE 421 N 0.61 0.52 0.00 0.00 3.57 -1.04 -1.30 116.94 119.31 1qhb h PHE 421 Ca 0.19 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 1qhb h PHE 421 Cb -0.01 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 1qhb h PHE 421 CO -0.06 0.20 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.14 1qhb h LEU 422 N 0.52 0.00 -3.25 0.59 3.38 -1.22 -1.82 115.31 113.51 1qhb h LEU 422 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1qhb h LEU 422 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1qhb h LEU 422 CO -0.25 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.58 1qhb n LYS 423 N -3.34 3.50 -3.55 1.13 4.01 -0.72 -4.99 118.16 114.21 1qhb n LYS 423 Ca -0.03 -2.81 -0.25 0.00 -0.51 0.00 0.00 58.31 54.71 1qhb n LYS 423 Cb 0.09 -1.87 0.04 0.00 -0.51 0.00 0.00 35.03 32.78 1qhb n LYS 423 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1qhb n SER 424 N 0.17 -5.81 -3.76 4.39 7.64 -0.68 -5.01 113.62 110.55 1qhb n SER 424 Ca 0.22 -0.86 -0.11 0.00 1.01 0.00 0.00 58.87 59.13 1qhb n SER 424 Cb 0.89 -3.78 -0.07 0.00 -1.01 0.00 0.00 64.21 60.25 1qhb n SER 424 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1qhb s GLU 425 N -5.31 0.84 -0.24 1.43 2.12 -0.57 -5.00 118.70 111.97 1qhb s GLU 425 Ca 0.39 -0.62 -0.00 0.00 0.36 0.00 0.00 54.97 55.09 1qhb s GLU 425 Cb -0.12 0.36 0.03 0.00 0.26 0.00 0.00 34.13 34.66 1qhb s GLU 425 CO 0.83 -0.28 -0.09 -1.12 -0.54 0.00 0.00 175.26 174.07 1qhb s SER 426 N -2.31 4.20 -0.07 -1.70 0.01 -1.26 -3.29 113.70 109.29 1qhb s SER 426 Ca -0.02 -0.98 0.01 0.00 1.31 0.00 0.00 55.95 56.27 1qhb s SER 426 Cb 0.01 -1.62 0.02 0.00 0.21 0.00 0.00 66.02 64.64 1qhb s SER 426 CO -0.06 -0.13 -0.06 -0.69 0.41 0.00 0.00 173.24 172.71 1qhb s VAL 427 N 1.27 0.76 -0.93 3.43 1.01 -1.26 -4.88 120.40 119.79 1qhb s VAL 427 Ca -0.01 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 1qhb s VAL 427 Cb -0.17 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1qhb s VAL 427 CO -0.06 0.29 0.79 0.49 0.00 0.00 0.00 175.10 176.61 1qhb n PHE 428 N 4.35 -2.53 0.27 5.22 3.72 -1.26 -4.15 117.46 123.08 1qhb n PHE 428 Ca -0.19 0.89 0.12 0.00 -0.05 0.00 0.00 57.45 58.23 1qhb n PHE 428 Cb 0.51 -3.89 0.78 0.00 -0.94 0.00 0.00 39.48 35.94 1qhb n PHE 428 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1qhb h PRO 429 N -0.57 0.00 -0.36 -1.08 0.13 -1.99 -1.83 132.00 126.30 1qhb h PRO 429 Ca -0.39 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.84 1qhb h PRO 429 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1qhb h PRO 429 CO 0.39 0.06 0.30 0.93 -0.23 0.00 0.00 178.00 179.44 1qhb h GLU 430 N 0.00 0.00 -0.52 0.86 3.07 -2.02 0.24 114.58 116.20 1qhb h GLU 430 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1qhb h GLU 430 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1qhb h GLU 430 CO 0.01 0.00 0.00 1.33 -1.40 0.00 0.00 179.01 178.95 1qhb n VAL 431 N -4.14 2.44 -0.05 3.13 0.24 -0.69 -4.65 118.33 114.61 1qhb n VAL 431 Ca 0.06 -1.45 -0.08 0.00 -2.04 0.00 0.00 64.34 60.83 1qhb n VAL 431 Cb 0.47 -0.17 -0.02 0.00 -1.47 0.00 0.00 33.84 32.66 1qhb n VAL 431 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1qhb h ASP 432 N 3.53 -0.35 -0.66 -1.34 3.32 -1.08 -0.83 116.42 119.00 1qhb h ASP 432 Ca 0.00 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1qhb h ASP 432 Cb 1.74 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 41.46 1qhb h ASP 432 CO 0.37 -0.14 0.22 0.58 -1.72 0.00 0.00 179.24 178.56 1qhb h VAL 433 N -0.07 1.25 -0.22 -1.35 2.07 -1.82 0.42 116.25 116.53 1qhb h VAL 433 Ca 0.13 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1qhb h VAL 433 Cb 0.26 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1qhb h VAL 433 CO -0.29 0.32 0.14 0.25 0.02 0.00 0.00 177.57 178.02 1qhb h LEU 434 N 0.96 0.25 -0.37 2.57 5.85 -1.74 -0.79 115.31 122.04 1qhb h LEU 434 Ca 0.22 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1qhb h LEU 434 Cb 0.28 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1qhb h LEU 434 CO -0.01 0.19 0.23 0.58 -0.34 0.00 0.00 178.44 179.08 1qhb h VAL 435 N 0.29 1.12 -0.27 1.05 2.07 -0.98 -2.78 116.25 116.74 1qhb h VAL 435 Ca 0.08 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1qhb h VAL 435 Cb -0.03 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1qhb h VAL 435 CO -0.02 0.11 0.12 -0.08 0.02 0.00 0.00 177.57 177.73 1qhb h GLU 436 N 0.48 0.40 0.00 1.57 4.81 -0.67 -2.94 114.58 118.24 1qhb h GLU 436 Ca 0.13 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1qhb h GLU 436 Cb -0.01 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 1qhb h GLU 436 CO -0.03 0.41 -0.06 0.93 -0.73 0.00 0.00 179.01 179.53 1qhb h GLU 437 N 0.30 0.00 -0.40 1.92 4.39 -1.12 -2.95 114.58 116.73 1qhb h GLU 437 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1qhb h GLU 437 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1qhb h GLU 437 CO -0.01 0.06 0.00 1.28 -1.16 0.00 0.00 179.01 179.18 1qhb n LEU 438 N -3.23 3.08 -0.30 1.33 4.77 -1.05 -4.79 117.00 116.81 1qhb n LEU 438 Ca -0.00 -1.37 -0.03 0.00 -0.03 0.00 0.00 56.01 54.58 1qhb n LEU 438 Cb 0.28 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1qhb n LEU 438 CO 0.28 0.69 0.61 0.77 -1.33 0.00 0.00 177.39 178.40 1qhb h SER 439 N 3.84 -1.29 -0.63 -1.43 4.64 -1.38 -0.64 113.55 116.67 1qhb h SER 439 Ca 0.00 0.27 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 1qhb h SER 439 Cb 0.85 0.67 -0.03 0.00 -0.31 0.00 0.00 62.40 63.58 1qhb h SER 439 CO 0.00 -0.30 0.31 0.77 -0.87 0.00 0.00 176.83 176.75 1qhb h SER 440 N -0.07 0.82 -0.82 4.97 4.64 -1.88 -2.52 113.55 118.69 1qhb h SER 440 Ca 0.30 -0.12 0.01 0.00 -0.47 0.00 0.00 61.79 61.50 1qhb h SER 440 Cb 0.58 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 1qhb h SER 440 CO -0.85 0.71 0.54 0.40 -0.87 0.00 0.00 176.83 176.76 1qhb h ILE 441 N 0.86 1.21 -0.00 0.95 2.04 -1.60 -2.58 117.51 118.40 1qhb h ILE 441 Ca 0.22 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1qhb h ILE 441 Cb 0.10 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1qhb h ILE 441 CO -0.03 0.21 -0.13 -0.07 0.00 0.00 0.00 178.15 178.13 1qhb h LEU 442 N 1.11 0.00 -0.09 1.44 3.38 -0.74 -1.84 115.31 118.58 1qhb h LEU 442 Ca 0.30 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1qhb h LEU 442 Cb -0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1qhb h LEU 442 CO -0.06 0.13 -0.01 0.44 0.09 0.00 0.00 178.44 179.03 1qhb h ASP 443 N 0.00 0.16 -0.89 -0.43 3.32 -1.19 -1.03 116.42 116.36 1qhb h ASP 443 Ca -0.00 -0.33 0.03 0.00 0.02 0.00 0.00 57.03 56.75 1qhb h ASP 443 Cb 0.23 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 1qhb h ASP 443 CO 0.02 0.45 0.59 0.44 -1.72 0.00 0.00 179.24 179.01 1qhb h ASP 444 N -0.13 0.98 -0.18 6.45 3.32 -1.27 -2.80 116.42 122.79 1qhb h ASP 444 Ca 0.02 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1qhb h ASP 444 Cb 0.37 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1qhb h ASP 444 CO 0.01 0.68 -0.49 -1.28 -1.72 0.00 0.00 179.24 176.44 1qhb h SER 445 N 1.14 0.82 -0.39 6.45 0.87 -1.17 -1.46 113.55 119.82 1qhb h SER 445 Ca 0.35 -0.41 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1qhb h SER 445 Cb -0.03 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 1qhb h SER 445 CO -0.10 1.17 0.24 0.00 -0.53 0.00 0.00 176.83 177.61 1qhb h ALA 446 N 0.85 1.65 -0.08 6.23 0.00 -1.08 0.49 119.26 127.33 1qhb h ALA 446 Ca 0.03 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.64 1qhb h ALA 446 Cb 1.06 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.70 1qhb h ALA 446 CO 0.10 0.31 -0.88 1.03 0.00 0.00 0.00 179.25 179.81 1qhb h SER 447 N 0.56 0.91 0.20 0.00 0.87 -1.22 -0.73 113.55 114.16 1qhb h SER 447 Ca 0.15 -0.68 -0.17 0.00 -1.23 0.00 0.00 61.79 59.86 1qhb h SER 447 Cb -0.01 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 1qhb h SER 447 CO -0.03 1.46 -0.66 -1.28 -0.53 0.00 0.00 176.83 175.80 1qhb h SER 448 N 0.44 0.49 -0.19 6.23 0.87 -0.88 -2.62 113.55 117.90 1qhb h SER 448 Ca -0.09 -0.30 -0.14 0.00 -1.23 0.00 0.00 61.79 60.04 1qhb h SER 448 Cb 1.53 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 1qhb h SER 448 CO 0.18 1.01 -0.36 0.78 -0.53 0.00 0.00 176.83 177.91 1qhb h ASN 449 N 0.30 0.75 -0.40 6.23 2.35 -0.85 -0.95 115.58 123.01 1qhb h ASN 449 Ca -0.02 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.40 1qhb h ASN 449 Cb 1.21 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 1qhb h ASN 449 CO 0.11 1.04 0.22 -0.08 -1.65 0.00 0.00 177.43 177.07 1qhb h GLU 450 N 0.59 0.56 -0.68 0.81 4.81 -1.00 0.90 114.58 120.58 1qhb h GLU 450 Ca 0.06 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1qhb h GLU 450 Cb 0.89 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 1qhb h GLU 450 CO 0.08 0.46 0.45 0.87 -0.73 0.00 0.00 179.01 180.14 1qhb h LYS 451 N 0.52 0.89 -0.32 1.92 1.57 -1.06 -0.61 116.57 119.48 1qhb h LYS 451 Ca 0.14 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1qhb h LYS 451 Cb 0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1qhb h LYS 451 CO -0.02 0.59 0.15 0.37 -0.57 0.00 0.00 179.45 179.97 1qhb h GLN 452 N 0.92 0.46 -0.27 3.15 5.75 -0.77 -0.71 115.11 123.64 1qhb h GLN 452 Ca 0.25 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.62 1qhb h GLN 452 Cb -0.10 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.35 1qhb h GLN 452 CO -0.06 0.44 -0.11 -0.91 -2.65 0.00 0.00 178.83 175.54 1qhb h ASN 453 N 0.38 0.43 -0.07 -0.69 2.35 -0.53 -0.53 115.58 116.92 1qhb h ASN 453 Ca 0.11 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1qhb h ASN 453 Cb 0.13 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 1qhb h ASN 453 CO -0.01 0.58 -0.00 0.40 -1.65 0.00 0.00 177.43 176.74 1qhb h ILE 454 N 0.42 1.26 -0.83 2.81 2.04 -0.82 0.30 117.51 122.69 1qhb h ILE 454 Ca 0.08 -0.82 0.07 0.00 1.00 0.00 0.00 64.86 65.19 1qhb h ILE 454 Cb 0.45 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 1qhb h ILE 454 CO 0.02 0.23 0.54 0.00 0.00 0.00 0.00 178.15 178.94 1qhb h ALA 455 N 0.71 1.60 0.00 1.87 0.00 -0.83 -2.23 119.26 120.37 1qhb h ALA 455 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qhb h ALA 455 Cb 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1qhb h ALA 455 CO 0.00 0.26 -0.34 -0.25 0.00 0.00 0.00 179.25 178.93 1qhb n ASP 456 N -4.49 0.48 -0.87 0.00 8.00 -0.23 -4.95 116.55 114.49 1qhb n ASP 456 Ca 0.13 0.16 -0.08 0.00 0.71 0.00 0.00 54.79 55.70 1qhb n ASP 456 Cb 0.22 -0.11 -0.01 0.00 -0.02 0.00 0.00 41.12 41.20 1qhb n ASP 456 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qhb n GLY 457 N 1.43 0.34 3.71 0.44 0.00 0.04 -5.02 105.19 106.14 1qhb n GLY 457 Ca 0.05 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 1qhb n GLY 457 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qhb s ASP 458 N -2.71 6.30 -0.04 1.61 1.01 -0.88 -5.04 116.67 116.91 1qhb s ASP 458 Ca 0.00 0.34 0.05 0.00 0.71 0.00 0.00 52.55 53.65 1qhb s ASP 458 Cb 0.00 -2.14 -0.01 0.00 1.01 0.00 0.00 42.92 41.78 1qhb s ASP 458 CO 0.00 0.10 -0.19 -0.69 0.21 0.00 0.00 175.17 174.60 1qhb s VAL 459 N 0.65 1.58 -0.02 -1.27 1.01 -1.26 -4.65 120.40 116.44 1qhb s VAL 459 Ca 0.12 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 1qhb s VAL 459 Cb -0.13 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1qhb s VAL 459 CO 0.02 0.45 0.22 -0.44 0.00 0.00 0.00 175.10 175.35 1qhb s SER 460 N -0.11 -0.10 0.44 3.32 0.01 -1.26 -4.86 113.70 111.14 1qhb s SER 460 Ca -0.01 -0.00 -0.25 0.00 1.31 0.00 0.00 55.95 56.99 1qhb s SER 460 Cb -0.11 0.29 -0.08 0.00 0.21 0.00 0.00 66.02 66.32 1qhb s SER 460 CO 0.02 -0.37 1.36 -2.84 0.41 0.00 0.00 173.24 171.82 1qhb s PRO 461 N -1.17 3.76 0.02 12.44 0.02 -1.26 -4.85 135.00 143.96 1qhb s PRO 461 Ca -0.12 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.17 1qhb s PRO 461 Cb -0.06 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.81 1qhb s PRO 461 CO 0.03 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 1qhb n GLY 462 N 0.62 -2.98 3.91 0.52 0.00 -1.26 -4.93 105.19 101.07 1qhb n GLY 462 Ca 0.05 -1.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.06 1qhb n GLY 462 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qhb s LYS 463 N -0.96 2.88 -0.19 1.61 1.02 -1.26 -5.07 119.74 117.77 1qhb s LYS 463 Ca 0.00 0.12 -0.03 0.00 0.02 0.00 0.00 55.97 56.08 1qhb s LYS 463 Cb 0.00 -2.20 -0.01 0.00 -0.52 0.00 0.00 37.83 35.10 1qhb s LYS 463 CO 0.00 -0.81 -0.06 0.45 -0.92 0.00 0.00 175.35 174.02 1qhb s SER 464 N -4.33 4.34 -0.14 2.83 0.15 -1.26 -4.95 113.70 110.34 1qhb s SER 464 Ca 0.55 -0.34 0.15 0.00 0.70 0.00 0.00 55.95 57.02 1qhb s SER 464 Cb -0.11 -1.73 0.47 0.00 -1.71 0.00 0.00 66.02 62.95 1qhb s SER 464 CO 0.47 0.04 1.37 0.49 1.20 0.00 0.00 173.24 176.82 1qhb n PHE 465 N 4.38 0.80 -1.70 3.44 3.72 -1.26 -3.84 117.46 123.00 1qhb n PHE 465 Ca -0.18 -0.81 -0.35 0.00 -0.05 0.00 0.00 57.45 56.06 1qhb n PHE 465 Cb 0.51 -0.25 0.07 0.00 -0.94 0.00 0.00 39.48 38.87 1qhb n PHE 465 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1qhb s LEU 466 N -2.47 3.49 -0.34 4.37 1.43 -1.26 -4.59 118.68 119.31 1qhb s LEU 466 Ca 0.38 2.40 -0.29 0.00 -1.03 0.00 0.00 54.13 55.59 1qhb s LEU 466 Cb 0.29 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.92 1qhb s LEU 466 CO 0.10 -1.96 1.34 -0.22 0.23 0.00 0.00 176.35 175.83 1qhb s LEU 467 N -4.63 3.78 0.24 1.79 2.96 -1.26 -4.97 118.68 116.59 1qhb s LEU 467 Ca 0.77 1.07 -0.31 0.00 -0.22 0.00 0.00 54.13 55.43 1qhb s LEU 467 Cb -0.31 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.73 1qhb s LEU 467 CO 0.40 -1.21 1.61 -2.84 -1.32 0.00 0.00 176.35 173.00 1qhb s PRO 468 N 4.44 4.15 -0.02 0.98 0.02 -1.26 -4.84 135.00 138.47 1qhb s PRO 468 Ca 0.58 2.52 -0.02 0.00 0.02 0.00 0.00 61.00 64.10 1qhb s PRO 468 Cb -0.16 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 1qhb s PRO 468 CO 0.27 -0.64 0.12 -1.64 -0.33 0.00 0.00 177.00 174.78 1qhb s MET 469 N 0.30 3.23 0.33 5.54 -1.94 -0.38 -4.77 119.30 121.61 1qhb s MET 469 Ca 0.67 -0.39 0.24 0.00 -1.71 0.00 0.00 55.69 54.50 1qhb s MET 469 Cb -0.47 -2.97 0.42 0.00 2.01 0.00 0.00 34.83 33.82 1qhb s MET 469 CO 0.40 0.67 1.56 0.00 -0.01 0.00 0.00 175.02 177.64 1qhb h ALA 470 N 4.10 0.91 -3.68 3.03 0.00 -1.69 0.10 119.26 122.03 1qhb h ALA 470 Ca -0.50 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.74 1qhb h ALA 470 Cb 1.19 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.76 1qhb h ALA 470 CO 0.64 0.00 -0.73 -0.06 0.00 0.00 0.00 179.25 179.10 1qhb s PHE 471 N -3.20 2.84 0.30 0.00 0.08 -1.26 -4.83 117.98 111.92 1qhb s PHE 471 Ca 0.07 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 56.92 1qhb s PHE 471 Cb 0.08 -1.74 0.51 0.00 -0.57 0.00 0.00 43.02 41.31 1qhb s PHE 471 CO 0.67 0.14 1.93 0.00 -0.10 0.00 0.00 175.22 177.86 1qhb h ALA 472 N 5.71 1.49 -0.01 5.36 0.00 -1.87 -1.09 119.26 128.86 1qhb h ALA 472 Ca -0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1qhb h ALA 472 Cb 1.18 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1qhb h ALA 472 CO 0.53 0.40 -0.04 -0.85 0.00 0.00 0.00 179.25 179.29 1qhb n GLU 473 N -4.47 1.05 0.00 0.00 0.00 -1.26 -4.73 120.64 111.23 1qhb n GLU 473 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 57.16 56.95 1qhb n GLU 473 Cb 0.16 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.10 1qhb n GLU 473 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1qhb n GLY 474 N 1.15 1.27 3.79 -1.84 0.00 -0.42 -4.80 105.19 104.34 1qhb n GLY 474 Ca 0.19 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 1qhb n GLY 474 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qhb s SER 475 N -4.00 4.55 1.04 1.61 1.04 -1.26 -4.81 113.70 111.87 1qhb s SER 475 Ca 0.00 1.52 -0.11 0.00 0.48 0.00 0.00 55.95 57.83 1qhb s SER 475 Cb 0.00 -2.27 0.21 0.00 0.10 0.00 0.00 66.02 64.06 1qhb s SER 475 CO 0.00 -1.96 1.09 -2.84 0.98 0.00 0.00 173.24 170.52 1qhb s PRO 476 N -5.04 0.06 -1.16 4.02 0.02 -1.26 -4.86 135.00 126.78 1qhb s PRO 476 Ca 0.61 1.26 -0.08 0.00 0.02 0.00 0.00 61.00 62.81 1qhb s PRO 476 Cb -0.15 -1.64 -0.07 0.00 0.02 0.00 0.00 34.50 32.66 1qhb s PRO 476 CO 0.55 -3.19 2.95 1.19 -0.33 0.00 0.00 177.00 178.17 1qhb n PHE 477 N -4.59 1.93 -3.52 6.54 3.01 -1.26 -4.80 117.46 114.77 1qhb n PHE 477 Ca 0.08 -2.64 -0.16 0.00 1.01 0.00 0.00 57.45 55.74 1qhb n PHE 477 Cb 0.53 -2.09 -0.05 0.00 -0.01 0.00 0.00 39.48 37.85 1qhb n PHE 477 CO 0.00 0.00 0.00 -3.38 1.01 0.00 0.00 176.76 174.39 1qhb s HIS 478 N 0.90 -0.57 0.97 1.38 -3.43 -1.26 -2.67 115.29 110.61 1qhb s HIS 478 Ca 0.65 0.81 -0.13 0.00 -0.80 0.00 0.00 55.06 55.59 1qhb s HIS 478 Cb 0.22 0.42 0.07 0.00 -1.43 0.00 0.00 32.58 31.86 1qhb s HIS 478 CO -0.07 -0.66 0.51 -2.30 -2.00 0.00 0.00 174.74 170.22 1qhb n PRO 479 N 0.56 -0.56 0.17 -0.38 -0.02 -1.26 -4.95 135.00 128.56 1qhb n PRO 479 Ca -0.19 -0.12 0.07 0.00 -2.02 0.00 0.00 63.50 61.24 1qhb n PRO 479 Cb 0.59 -1.94 0.08 0.00 -0.02 0.00 0.00 33.50 32.21 1qhb n PRO 479 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1qhb h SER 480 N -1.73 0.00 -3.39 2.55 0.87 -1.44 -3.46 113.55 106.96 1qhb h SER 480 Ca -0.45 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.54 1qhb h SER 480 Cb 1.29 0.00 -0.38 0.00 -0.44 0.00 0.00 62.40 62.87 1qhb h SER 480 CO 0.36 0.27 -0.79 -0.47 -0.53 0.00 0.00 176.83 175.68 1qhb s TYR 481 N -3.08 1.84 0.00 2.24 5.04 -1.26 -4.24 117.35 117.89 1qhb s TYR 481 Ca 0.05 -1.24 0.00 0.00 -2.44 0.00 0.00 57.07 53.44 1qhb s TYR 481 Cb 0.07 -1.37 0.00 0.00 0.35 0.00 0.00 41.96 41.01 1qhb s TYR 481 CO 0.72 -0.66 0.00 0.41 -1.34 0.00 0.00 175.55 174.68 1qhb n GLY 482 N 4.83 1.54 3.43 8.97 0.00 -1.26 -2.75 105.19 119.95 1qhb n GLY 482 Ca -0.12 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 1qhb n GLY 482 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qhb s SER 483 N -1.00 3.76 0.16 1.61 0.15 -1.25 -4.86 113.70 112.27 1qhb s SER 483 Ca 0.00 -0.27 -0.08 0.00 0.70 0.00 0.00 55.95 56.30 1qhb s SER 483 Cb 0.00 -0.71 0.02 0.00 -1.71 0.00 0.00 66.02 63.62 1qhb s SER 483 CO 0.00 0.34 1.49 1.23 1.20 0.00 0.00 173.24 177.50 1qhb h GLY 484 N 5.39 0.88 0.90 9.45 0.00 -1.95 -0.22 103.07 117.53 1qhb h GLY 484 Ca -0.45 -0.93 -0.03 0.00 0.00 0.00 0.00 47.33 45.91 1qhb h GLY 484 CO 0.49 0.84 0.08 0.45 0.00 0.00 0.00 176.54 178.40 1qhb h HIS 485 N 0.65 0.54 0.00 5.60 3.86 -1.95 -2.45 115.15 121.41 1qhb h HIS 485 Ca 0.04 -0.06 -0.18 0.00 -1.16 0.00 0.00 60.37 59.01 1qhb h HIS 485 Cb 1.01 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 29.30 1qhb h HIS 485 CO 0.06 0.56 -0.84 0.00 0.86 0.00 0.00 177.93 178.57 1qhb h ALA 486 N 0.91 0.61 -0.50 2.45 0.00 -1.90 -0.35 119.26 120.49 1qhb h ALA 486 Ca 0.10 -0.76 -0.07 0.00 0.00 0.00 0.00 54.91 54.18 1qhb h ALA 486 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1qhb h ALA 486 CO 0.00 1.04 0.02 -0.24 0.00 0.00 0.00 179.25 180.08 1qhb h VAL 487 N 0.00 1.26 -0.43 0.00 3.04 -1.01 -1.25 116.25 117.85 1qhb h VAL 487 Ca -0.01 -1.04 -0.07 0.00 -1.01 0.00 0.00 66.70 64.57 1qhb h VAL 487 Cb 1.49 0.96 -0.02 0.00 -2.01 0.00 0.00 31.29 31.71 1qhb h VAL 487 CO 0.11 0.37 -0.01 0.58 -1.01 0.00 0.00 177.57 177.60 1qhb h VAL 488 N 0.72 1.26 -0.66 1.51 2.07 -1.41 -1.68 116.25 118.07 1qhb h VAL 488 Ca 0.14 -1.06 0.09 0.00 0.82 0.00 0.00 66.70 66.69 1qhb h VAL 488 Cb 0.49 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 1qhb h VAL 488 CO 0.02 0.36 0.31 0.00 0.02 0.00 0.00 177.57 178.28 1qhb h ALA 489 N 0.90 0.88 -0.30 1.67 0.00 -0.90 0.60 119.26 122.11 1qhb h ALA 489 Ca 0.12 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1qhb h ALA 489 Cb 0.51 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1qhb h ALA 489 CO 0.03 -0.09 0.11 0.78 0.00 0.00 0.00 179.25 180.07 1qhb h GLY 490 N 0.54 0.49 0.85 0.00 0.00 -1.03 -1.15 103.07 102.76 1qhb h GLY 490 Ca 0.32 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1qhb h GLY 490 CO -0.27 0.26 0.01 0.00 0.00 0.00 0.00 176.54 176.54 1qhb h ALA 491 N 0.94 0.33 -0.30 3.60 0.00 -0.93 -2.98 119.26 119.92 1qhb h ALA 491 Ca 0.10 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1qhb h ALA 491 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1qhb h ALA 491 CO -0.01 0.05 -0.03 0.00 0.00 0.00 0.00 179.25 179.26 1qhb h VAL 493 N 0.33 1.33 -0.34 0.00 -1.51 -1.32 -2.00 116.25 112.74 1qhb h VAL 493 Ca 0.08 -1.77 0.03 0.00 -1.23 0.00 0.00 66.70 63.81 1qhb h VAL 493 Cb 0.49 1.97 -0.03 0.00 -2.13 0.00 0.00 31.29 31.58 1qhb h VAL 493 CO 0.02 0.50 0.15 0.74 -1.23 0.00 0.00 177.57 177.75 1qhb h THR 494 N 0.00 0.95 -0.30 7.19 2.02 -1.38 -0.14 112.91 121.24 1qhb h THR 494 Ca -0.01 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.08 1qhb h THR 494 Cb 0.92 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1qhb h THR 494 CO 0.07 0.06 0.17 0.40 0.37 0.00 0.00 175.52 176.59 1qhb h ILE 495 N 0.32 1.02 -0.29 3.11 1.08 -1.10 -2.08 117.51 119.57 1qhb h ILE 495 Ca 0.15 -0.12 -0.07 0.00 -0.39 0.00 0.00 64.86 64.43 1qhb h ILE 495 Cb 0.09 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 1qhb h ILE 495 CO -0.12 0.06 -0.12 -0.07 -0.69 0.00 0.00 178.15 177.21 1qhb h LEU 496 N 0.35 0.47 -0.45 1.44 3.38 -0.95 -1.86 115.31 117.69 1qhb h LEU 496 Ca 0.12 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1qhb h LEU 496 Cb 0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1qhb h LEU 496 CO -0.06 0.62 -0.58 0.11 0.09 0.00 0.00 178.44 178.62 1qhb h LYS 497 N 0.45 0.00 -0.06 1.13 1.57 -0.90 -1.71 116.57 117.05 1qhb h LYS 497 Ca 0.08 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.62 1qhb h LYS 497 Cb 0.48 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.81 1qhb h LYS 497 CO 0.03 0.58 -0.93 0.00 -0.57 0.00 0.00 179.45 178.56 1qhb h ALA 498 N 1.42 0.23 0.15 3.86 0.00 -1.02 -3.37 119.26 120.53 1qhb h ALA 498 Ca -0.01 -0.66 -0.29 0.00 0.00 0.00 0.00 54.91 53.95 1qhb h ALA 498 Cb 1.25 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.08 1qhb h ALA 498 CO 0.08 0.70 -1.27 0.35 0.00 0.00 0.00 179.25 179.10 1qhb h PHE 499 N 0.44 0.76 -2.04 0.00 3.04 -1.24 -3.38 116.94 114.52 1qhb h PHE 499 Ca -0.09 -0.52 -0.43 0.00 3.98 0.00 0.00 57.97 60.90 1qhb h PHE 499 Cb 1.57 -0.05 0.03 0.00 2.56 0.00 0.00 35.95 40.06 1qhb h PHE 499 CO 0.09 1.39 -0.17 -0.06 -2.02 0.00 0.00 178.31 177.54 1qhb s PHE 500 N -2.80 2.92 -1.03 0.41 0.08 -0.65 -0.57 117.98 116.35 1qhb s PHE 500 Ca -0.07 -0.16 -0.23 0.00 0.12 0.00 0.00 56.93 56.60 1qhb s PHE 500 Cb 0.06 -2.46 0.05 0.00 -0.57 0.00 0.00 43.02 40.11 1qhb s PHE 500 CO 0.91 -0.53 1.45 0.34 -0.10 0.00 0.00 175.22 177.29 1qhb s ASP 501 N -4.34 6.52 0.51 1.36 -1.08 -0.20 -3.71 116.67 115.73 1qhb s ASP 501 Ca 0.54 -1.51 0.18 0.00 -0.52 0.00 0.00 52.55 51.24 1qhb s ASP 501 Cb -0.10 -2.56 1.27 0.00 -1.46 0.00 0.00 42.92 40.06 1qhb s ASP 501 CO 0.35 -1.48 2.08 0.00 0.52 0.00 0.00 175.17 176.64 1qhb h ALA 502 N 9.68 2.15 -0.25 3.66 0.00 -1.89 -2.17 119.26 130.44 1qhb h ALA 502 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1qhb h ALA 502 Cb 1.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1qhb h ALA 502 CO 1.42 -0.21 0.00 0.09 0.00 0.00 0.00 179.25 180.55 1qhb n ASN 503 N -4.48 1.40 -4.76 0.00 3.02 -1.26 -0.02 115.26 109.17 1qhb n ASN 503 Ca 0.03 -1.96 -0.38 0.00 -0.03 0.00 0.00 54.58 52.23 1qhb n ASN 503 Cb 0.28 -0.17 0.02 0.00 -0.61 0.00 0.00 39.78 39.30 1qhb n ASN 503 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1qhb s PHE 504 N -1.66 2.58 0.10 3.10 5.36 -0.82 -4.79 117.98 121.85 1qhb s PHE 504 Ca 0.19 1.41 -0.08 0.00 -0.96 0.00 0.00 56.93 57.49 1qhb s PHE 504 Cb 0.10 -3.67 -0.06 0.00 -0.34 0.00 0.00 43.02 39.05 1qhb s PHE 504 CO 0.13 -2.35 0.39 -0.65 -1.46 0.00 0.00 175.22 171.29 1qhb s GLN 505 N -2.66 3.71 -0.24 10.12 -0.21 -1.26 -2.07 119.66 127.04 1qhb s GLN 505 Ca 0.65 0.09 -0.06 0.00 0.02 0.00 0.00 55.36 56.06 1qhb s GLN 505 Cb -0.37 -2.94 -0.01 0.00 1.00 0.00 0.00 33.01 30.69 1qhb s GLN 505 CO 0.45 0.53 0.02 0.42 -2.12 0.00 0.00 175.29 174.59 1qhb s ILE 506 N -1.49 3.81 -0.39 1.08 1.01 0.11 -4.94 121.20 120.39 1qhb s ILE 506 Ca 0.36 -0.40 0.23 0.00 0.00 0.00 0.00 60.65 60.83 1qhb s ILE 506 Cb -0.13 -2.79 -0.14 0.00 0.01 0.00 0.00 42.46 39.40 1qhb s ILE 506 CO 0.20 0.34 0.89 0.47 0.00 0.00 0.00 174.94 176.84 1qhb n ASP 507 N 4.85 0.53 -4.44 3.58 8.00 -1.26 -0.93 116.55 126.89 1qhb n ASP 507 Ca -0.17 -0.05 -0.39 0.00 0.71 0.00 0.00 54.79 54.88 1qhb n ASP 507 Cb 0.51 1.01 -0.11 0.00 -0.02 0.00 0.00 41.12 42.50 1qhb n ASP 507 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1qhb s GLN 508 N -3.31 3.26 -0.17 -1.24 -0.21 -1.26 -4.86 119.66 111.86 1qhb s GLN 508 Ca -0.00 -0.78 -0.02 0.00 0.02 0.00 0.00 55.36 54.58 1qhb s GLN 508 Cb 0.13 -3.64 -0.01 0.00 1.00 0.00 0.00 33.01 30.49 1qhb s GLN 508 CO 0.83 -0.48 -0.10 0.08 -2.12 0.00 0.00 175.29 173.50 1qhb s VAL 509 N 1.62 3.09 0.27 1.09 1.01 -1.26 -5.03 120.40 121.18 1qhb s VAL 509 Ca 0.04 -0.62 0.11 0.00 0.00 0.00 0.00 61.98 61.51 1qhb s VAL 509 Cb -0.18 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1qhb s VAL 509 CO 0.07 0.49 -0.13 -0.36 0.00 0.00 0.00 175.10 175.17 1qhb s PHE 510 N 0.90 2.45 0.15 5.22 0.08 -1.26 -0.99 117.98 124.52 1qhb s PHE 510 Ca -0.02 -0.29 -0.04 0.00 0.12 0.00 0.00 56.93 56.70 1qhb s PHE 510 Cb -0.15 -1.08 -0.03 0.00 -0.57 0.00 0.00 43.02 41.19 1qhb s PHE 510 CO -0.00 0.66 0.13 -1.21 -0.10 0.00 0.00 175.22 174.71 1qhb s GLU 511 N -3.49 1.02 0.05 0.44 2.02 -0.40 -4.77 118.70 113.57 1qhb s GLU 511 Ca 0.30 -1.37 -0.26 0.00 0.02 0.00 0.00 54.97 53.66 1qhb s GLU 511 Cb -0.06 0.29 -0.05 0.00 0.10 0.00 0.00 34.13 34.41 1qhb s GLU 511 CO 0.16 -0.32 0.81 0.08 0.02 0.00 0.00 175.26 176.01 1qhb s VAL 512 N -4.03 4.70 0.50 2.63 1.01 -1.26 -0.67 120.40 123.28 1qhb s VAL 512 Ca 0.23 1.73 -0.23 0.00 0.00 0.00 0.00 61.98 63.70 1qhb s VAL 512 Cb 0.06 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 1qhb s VAL 512 CO 0.02 0.34 1.38 -0.62 0.00 0.00 0.00 175.10 176.22 1qhb s ASP 513 N 0.02 5.58 0.39 3.32 2.15 0.20 -4.78 116.67 123.56 1qhb s ASP 513 Ca 0.41 2.82 0.19 0.00 0.43 0.00 0.00 52.55 56.40 1qhb s ASP 513 Cb -0.21 -2.64 0.78 0.00 -0.30 0.00 0.00 42.92 40.55 1qhb s ASP 513 CO 0.24 -1.36 1.79 0.71 -0.17 0.00 0.00 175.17 176.38 1qhb h THR 514 N 1.85 0.89 0.00 1.71 1.35 -1.91 -3.35 112.91 113.45 1qhb h THR 514 Ca -0.51 -1.36 -0.25 0.00 -0.55 0.00 0.00 66.41 63.74 1qhb h THR 514 Cb 1.28 1.82 -0.05 0.00 -1.73 0.00 0.00 68.15 69.48 1qhb h THR 514 CO 0.59 0.34 -1.97 0.47 -0.25 0.00 0.00 175.52 174.70 1qhb n ASP 515 N -3.61 1.48 -4.52 5.36 8.00 -1.26 -5.04 116.55 116.95 1qhb n ASP 515 Ca -0.01 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 1qhb n ASP 515 Cb 0.46 0.89 -0.11 0.00 -0.02 0.00 0.00 41.12 42.34 1qhb n ASP 515 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1qhb s GLU 516 N -2.37 1.76 -1.25 -1.24 2.02 -1.26 -5.05 118.70 111.31 1qhb s GLU 516 Ca -0.07 -1.93 -0.12 0.00 0.02 0.00 0.00 54.97 52.87 1qhb s GLU 516 Cb 0.04 -1.44 0.16 0.00 0.10 0.00 0.00 34.13 33.00 1qhb s GLU 516 CO 0.59 0.03 1.65 -3.47 0.02 0.00 0.00 175.26 174.08 1qhb n ASP 517 N -0.76 5.13 -3.52 -0.19 2.03 -1.26 -4.14 116.55 113.84 1qhb n ASP 517 Ca -0.05 -3.03 -0.11 0.00 0.52 0.00 0.00 54.79 52.12 1qhb n ASP 517 Cb 0.65 -1.54 -0.03 0.00 -0.72 0.00 0.00 41.12 39.48 1qhb n ASP 517 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1qhb s LYS 518 N 1.18 1.27 0.17 -0.67 -2.85 -1.26 -4.89 119.74 112.70 1qhb s LYS 518 Ca 0.42 -0.59 -0.23 0.00 -1.00 0.00 0.00 55.97 54.57 1qhb s LYS 518 Cb 0.03 0.56 -0.08 0.00 -2.06 0.00 0.00 37.83 36.28 1qhb s LYS 518 CO 0.00 -0.55 0.74 -0.51 0.10 0.00 0.00 175.35 175.13 1qhb s LEU 519 N -2.78 4.50 0.12 2.77 1.43 -1.26 -0.63 118.68 122.83 1qhb s LEU 519 Ca 0.03 1.53 0.05 0.00 -1.03 0.00 0.00 54.13 54.70 1qhb s LEU 519 Cb -0.01 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.83 1qhb s LEU 519 CO -0.11 0.16 -0.12 0.68 0.23 0.00 0.00 176.35 177.19 1qhb s VAL 520 N -1.27 1.17 0.31 -1.59 -7.23 0.16 -4.84 120.40 107.12 1qhb s VAL 520 Ca 0.37 -1.76 -0.29 0.00 -1.81 0.00 0.00 61.98 58.49 1qhb s VAL 520 Cb -0.21 -1.54 -0.11 0.00 0.56 0.00 0.00 36.38 35.09 1qhb s VAL 520 CO 0.24 -0.53 1.46 -0.75 -0.31 0.00 0.00 175.10 175.21 1qhb s LYS 521 N -2.93 4.21 0.65 4.82 2.20 -1.26 -1.27 119.74 126.15 1qhb s LYS 521 Ca 0.09 2.43 -0.11 0.00 -0.36 0.00 0.00 55.97 58.02 1qhb s LYS 521 Cb -0.03 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 1qhb s LYS 521 CO 0.02 -0.46 1.05 0.45 -0.36 0.00 0.00 175.35 176.05 1qhb s SER 522 N 0.08 5.93 0.39 1.43 0.15 -0.17 -4.73 113.70 116.79 1qhb s SER 522 Ca 0.56 1.35 0.22 0.00 0.70 0.00 0.00 55.95 58.79 1qhb s SER 522 Cb -0.44 -2.32 0.27 0.00 -1.71 0.00 0.00 66.02 61.82 1qhb s SER 522 CO 0.52 -1.05 1.52 0.77 1.20 0.00 0.00 173.24 176.20 1qhb h SER 523 N -0.45 0.00 -2.83 5.45 4.64 -1.92 -3.43 113.55 115.01 1qhb h SER 523 Ca -0.44 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.34 1qhb h SER 523 Cb 1.21 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1qhb h SER 523 CO 0.62 0.06 0.89 0.12 -0.87 0.00 0.00 176.83 177.65 1qhb s PHE 524 N -3.20 2.73 0.19 4.77 5.36 -1.26 -4.92 117.98 121.65 1qhb s PHE 524 Ca 0.06 0.63 -0.10 0.00 -0.96 0.00 0.00 56.93 56.56 1qhb s PHE 524 Cb 0.06 -3.79 0.11 0.00 -0.34 0.00 0.00 43.02 39.07 1qhb s PHE 524 CO 0.69 -3.01 1.76 -1.35 -1.46 0.00 0.00 175.22 171.85 1qhb h PRO 525 N 7.90 1.02 0.00 10.12 0.11 -1.98 -3.45 132.00 145.71 1qhb h PRO 525 Ca -0.40 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.53 1qhb h PRO 525 Cb 1.19 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1qhb h PRO 525 CO 0.91 0.83 0.00 0.41 -0.21 0.00 0.00 178.00 179.94 1qhb n GLY 526 N -0.88 -2.13 3.91 -0.55 0.00 -1.26 -4.80 105.19 99.48 1qhb n GLY 526 Ca 0.05 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 1qhb n GLY 526 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qhb s PRO 527 N -0.16 1.67 0.39 1.61 0.04 -1.26 -5.12 135.00 132.16 1qhb s PRO 527 Ca 0.00 -0.04 0.08 0.00 0.04 0.00 0.00 61.00 61.08 1qhb s PRO 527 Cb 0.00 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 1qhb s PRO 527 CO 0.00 -1.77 0.11 -0.51 0.04 0.00 0.00 177.00 174.88 1qhb s LEU 528 N -5.63 3.06 0.32 -3.56 1.43 -0.10 -4.91 118.68 109.29 1qhb s LEU 528 Ca 0.65 -1.08 0.08 0.00 -1.03 0.00 0.00 54.13 52.75 1qhb s LEU 528 Cb -0.09 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1qhb s LEU 528 CO 0.50 -0.44 0.13 0.42 0.23 0.00 0.00 176.35 177.18 1qhb s THR 529 N -2.59 3.18 0.17 5.49 -4.23 -1.26 0.08 115.64 116.47 1qhb s THR 529 Ca 0.38 -1.71 -0.13 0.00 -1.18 0.00 0.00 61.69 59.05 1qhb s THR 529 Cb 0.03 -2.98 0.06 0.00 1.34 0.00 0.00 72.50 70.95 1qhb s THR 529 CO 0.21 -0.22 1.76 0.58 -0.54 0.00 0.00 174.62 176.41 1qhb h VAL 530 N 1.59 1.19 -0.16 2.29 2.07 -1.24 -1.54 116.25 120.45 1qhb h VAL 530 Ca -0.44 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 66.58 1qhb h VAL 530 Cb 1.25 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1qhb h VAL 530 CO 0.62 0.21 0.06 0.00 0.02 0.00 0.00 177.57 178.49 1qhb h ALA 531 N 1.11 0.18 -0.88 1.67 0.00 -0.73 0.59 119.26 121.19 1qhb h ALA 531 Ca 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1qhb h ALA 531 Cb 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1qhb h ALA 531 CO -0.03 -0.38 0.46 0.78 0.00 0.00 0.00 179.25 180.09 1qhb h GLY 532 N 0.14 1.34 2.00 0.00 0.00 -1.76 -0.66 103.07 104.14 1qhb h GLY 532 Ca 0.07 -0.63 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 1qhb h GLY 532 CO -0.06 0.60 -0.39 0.83 0.00 0.00 0.00 176.54 177.52 1qhb h GLU 533 N 1.25 0.00 -0.03 4.80 4.39 -0.99 0.71 114.58 124.71 1qhb h GLU 533 Ca 0.31 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.80 1qhb h GLU 533 Cb 0.07 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1qhb h GLU 533 CO -0.04 0.39 -0.81 -0.07 -1.16 0.00 0.00 179.01 177.32 1qhb h LEU 534 N 0.00 0.76 -0.92 1.33 3.38 -0.65 -1.50 115.31 117.71 1qhb h LEU 534 Ca -0.00 -0.73 -0.02 0.00 0.09 0.00 0.00 57.88 57.22 1qhb h LEU 534 Cb 1.17 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1qhb h LEU 534 CO 0.05 1.38 0.47 0.78 0.09 0.00 0.00 178.44 181.22 1qhb h ASN 535 N 0.21 1.11 -0.74 -0.43 2.35 -1.05 -1.25 115.58 115.78 1qhb h ASN 535 Ca -0.09 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 1qhb h ASN 535 Cb 1.48 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 39.54 1qhb h ASN 535 CO 0.16 0.90 0.38 0.50 -1.65 0.00 0.00 177.43 177.71 1qhb h LYS 536 N 1.24 1.05 -0.34 0.81 3.64 -0.83 -1.47 116.57 120.67 1qhb h LYS 536 Ca 0.31 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1qhb h LYS 536 Cb 0.04 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1qhb h LYS 536 CO -0.05 0.81 0.18 1.25 -2.27 0.00 0.00 179.45 179.37 1qhb h LEU 537 N 1.03 0.43 -0.57 5.20 5.85 -0.84 0.25 115.31 126.66 1qhb h LEU 537 Ca 0.26 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1qhb h LEU 537 Cb 0.08 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1qhb h LEU 537 CO -0.04 0.41 0.28 0.00 -0.34 0.00 0.00 178.44 178.75 1qhb h ALA 538 N 1.04 0.74 -0.72 1.25 0.00 -1.02 -1.33 119.26 119.21 1qhb h ALA 538 Ca 0.12 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1qhb h ALA 538 Cb 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1qhb h ALA 538 CO -0.02 -0.08 0.20 -0.44 0.00 0.00 0.00 179.25 178.91 1qhb h ASP 539 N 0.52 1.06 -0.66 0.00 3.32 -0.69 -1.81 116.42 118.16 1qhb h ASP 539 Ca 0.26 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 57.11 1qhb h ASP 539 Cb 0.21 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1qhb h ASP 539 CO -0.20 1.00 0.43 0.78 -1.72 0.00 0.00 179.24 179.53 1qhb h ASN 540 N 1.08 0.77 -0.17 6.45 -0.26 -0.00 0.44 115.58 123.88 1qhb h ASN 540 Ca 0.23 -0.03 -0.16 0.00 -0.56 0.00 0.00 56.30 55.79 1qhb h ASN 540 Cb 0.33 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 1qhb h ASN 540 CO -0.00 0.56 -0.51 0.58 -1.06 0.00 0.00 177.43 176.99 1qhb h VAL 541 N 0.90 1.32 -0.32 2.81 2.07 -1.12 0.35 116.25 122.26 1qhb h VAL 541 Ca 0.24 -1.76 -0.06 0.00 0.82 0.00 0.00 66.70 65.94 1qhb h VAL 541 Cb -0.09 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1qhb h VAL 541 CO -0.05 0.55 -0.01 0.00 0.02 0.00 0.00 177.57 178.07 1qhb h ALA 542 N 0.56 0.44 0.00 1.67 0.00 -1.24 -2.88 119.26 117.81 1qhb h ALA 542 Ca -0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1qhb h ALA 542 Cb 1.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1qhb h ALA 542 CO 0.11 0.21 -0.25 0.82 0.00 0.00 0.00 179.25 180.13 1qhb h ILE 543 N 0.38 0.53 0.00 0.00 1.08 -0.94 -2.24 117.51 116.32 1qhb h ILE 543 Ca 0.09 -1.35 -0.02 0.00 -0.39 0.00 0.00 64.86 63.19 1qhb h ILE 543 Cb 0.47 1.95 -0.00 0.00 -3.07 0.00 0.00 36.82 36.17 1qhb h ILE 543 CO 0.02 0.25 -0.07 1.23 -0.69 0.00 0.00 178.15 178.88 1qhb h GLY 544 N 2.69 0.00 1.62 5.37 0.00 -0.70 0.37 103.07 112.43 1qhb h GLY 544 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1qhb h GLY 544 CO 0.03 0.00 -0.54 3.21 0.00 0.00 0.00 176.54 179.25 1qhb h ARG 545 N 0.00 0.40 -0.41 4.80 2.47 -1.35 -2.60 114.38 117.68 1qhb h ARG 545 Ca -0.00 -0.24 -0.06 0.00 -1.26 0.00 0.00 59.98 58.41 1qhb h ARG 545 Cb 0.16 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.49 1qhb h ARG 545 CO 0.01 0.83 0.01 -0.91 0.56 0.00 0.00 179.97 180.48 1qhb h ASN 546 N 0.31 0.70 -0.12 7.04 4.21 -1.22 -2.11 115.58 124.39 1qhb h ASN 546 Ca 0.01 -0.30 0.04 0.00 1.21 0.00 0.00 56.30 57.25 1qhb h ASN 546 Cb 1.04 -0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 38.05 1qhb h ASN 546 CO 0.09 0.83 0.09 0.24 -1.29 0.00 0.00 177.43 177.39 1qhb h MET 547 N 0.55 0.00 0.00 0.81 2.86 -0.79 0.88 114.93 119.24 1qhb h MET 547 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1qhb h MET 547 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1qhb h MET 547 CO 0.02 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.99 1qhb h ALA 548 N 1.93 1.00 0.00 6.32 0.00 -1.13 -3.43 119.26 123.94 1qhb h ALA 548 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1qhb h ALA 548 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1qhb h ALA 548 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1qhb n GLY 549 N 1.09 0.80 0.00 0.00 0.00 0.30 -1.91 105.19 105.48 1qhb n GLY 549 Ca 0.04 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.86 1qhb n GLY 549 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qhb n VAL 550 N -2.33 0.00 -4.03 1.61 0.24 -0.82 -4.16 118.33 108.83 1qhb n VAL 550 Ca 0.00 -0.08 -0.08 0.00 -2.04 0.00 0.00 64.34 62.14 1qhb n VAL 550 Cb 0.00 0.99 -0.10 0.00 -1.47 0.00 0.00 33.84 33.26 1qhb n VAL 550 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1qhb s HIS 551 N -2.70 0.41 0.40 6.34 4.02 -1.24 -4.56 115.29 117.96 1qhb s HIS 551 Ca 0.07 -0.89 0.08 0.00 1.02 0.00 0.00 55.06 55.33 1qhb s HIS 551 Cb 0.14 -0.30 0.00 0.00 -1.02 0.00 0.00 32.58 31.39 1qhb s HIS 551 CO 0.74 -0.38 0.51 0.71 1.02 0.00 0.00 174.74 177.34 1qhb s TYR 552 N -3.50 2.86 0.13 1.40 1.51 -1.26 -4.32 117.35 114.16 1qhb s TYR 552 Ca 0.03 -0.38 -0.22 0.00 -1.01 0.00 0.00 57.07 55.50 1qhb s TYR 552 Cb 0.05 -2.25 -0.01 0.00 -0.11 0.00 0.00 41.96 39.63 1qhb s TYR 552 CO -0.09 -0.27 1.67 0.35 -1.11 0.00 0.00 175.55 176.10 1qhb h PHE 553 N 0.77 -0.36 -0.86 2.71 3.57 -1.99 -2.58 116.94 118.20 1qhb h PHE 553 Ca -0.41 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.18 1qhb h PHE 553 Cb 1.27 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 40.14 1qhb h PHE 553 CO 0.43 -0.21 0.56 0.66 -2.23 0.00 0.00 178.31 177.52 1qhb h SER 554 N -0.16 0.84 -0.23 0.41 4.64 -1.97 -2.13 113.55 114.94 1qhb h SER 554 Ca 0.10 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.45 1qhb h SER 554 Cb 0.31 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 1qhb h SER 554 CO -0.25 0.54 0.06 0.44 -0.87 0.00 0.00 176.83 176.75 1qhb h ASP 555 N 0.95 0.05 0.16 4.97 3.32 -1.78 -1.77 116.42 122.32 1qhb h ASP 555 Ca 0.37 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 1qhb h ASP 555 Cb 0.23 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1qhb h ASP 555 CO -0.14 0.06 -0.08 1.56 -1.72 0.00 0.00 179.24 178.92 1qhb h GLN 556 N 0.16 -0.21 -0.41 3.56 1.08 -1.40 -2.47 115.11 115.41 1qhb h GLN 556 Ca 0.10 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1qhb h GLN 556 Cb 0.09 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1qhb h GLN 556 CO -0.12 0.18 0.27 0.35 -0.95 0.00 0.00 178.83 178.56 1qhb h PHE 557 N -0.67 0.51 -0.67 2.96 3.57 -1.49 0.65 116.94 121.80 1qhb h PHE 557 Ca -0.02 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1qhb h PHE 557 Cb 0.49 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1qhb h PHE 557 CO 0.06 0.32 0.25 0.93 -2.23 0.00 0.00 178.31 177.64 1qhb h GLU 558 N 0.55 0.99 -0.38 1.11 4.39 -1.42 -2.51 114.58 117.32 1qhb h GLU 558 Ca 0.15 -0.17 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 1qhb h GLU 558 Cb -0.06 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 1qhb h GLU 558 CO -0.04 0.82 -0.18 0.77 -1.16 0.00 0.00 179.01 179.22 1qhb h SER 559 N 0.97 0.73 -0.85 1.42 0.02 -0.91 -2.31 113.55 112.62 1qhb h SER 559 Ca 0.22 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1qhb h SER 559 Cb 0.21 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 1qhb h SER 559 CO -0.02 0.91 0.55 -0.07 -1.14 0.00 0.00 176.83 177.06 1qhb h LEU 560 N 0.64 0.92 -0.65 5.07 3.38 -0.47 -1.22 115.31 122.99 1qhb h LEU 560 Ca 0.10 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1qhb h LEU 560 Cb 0.66 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1qhb h LEU 560 CO 0.05 0.65 0.06 -0.07 0.09 0.00 0.00 178.44 179.21 1qhb h LEU 561 N 1.09 1.07 -0.71 1.67 3.38 -1.25 -2.71 115.31 117.84 1qhb h LEU 561 Ca 0.33 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1qhb h LEU 561 Cb -0.03 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 1qhb h LEU 561 CO -0.10 1.08 0.26 0.25 0.09 0.00 0.00 178.44 180.03 1qhb h LEU 562 N 1.02 1.00 -0.80 1.67 5.85 -1.09 -2.77 115.31 120.19 1qhb h LEU 562 Ca 0.19 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1qhb h LEU 562 Cb 0.50 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1qhb h LEU 562 CO 0.02 0.92 0.33 1.23 -0.34 0.00 0.00 178.44 180.60 1qhb h GLY 563 N 1.03 1.29 0.63 3.75 0.00 -1.09 -2.30 103.07 106.38 1qhb h GLY 563 Ca 0.24 -0.70 0.02 0.00 0.00 0.00 0.00 47.33 46.89 1qhb h GLY 563 CO -0.02 0.66 -0.17 -2.09 0.00 0.00 0.00 176.54 174.92 1qhb h GLU 564 N 1.17 -0.30 -0.80 4.80 4.81 -1.38 -1.33 114.58 121.55 1qhb h GLU 564 Ca 0.27 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.55 1qhb h GLU 564 Cb 0.21 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 1qhb h GLU 564 CO -0.02 -0.20 0.51 1.96 -0.73 0.00 0.00 179.01 180.53 1qhb h GLN 565 N -0.31 0.97 -0.40 1.92 4.20 -1.18 -1.09 115.11 119.22 1qhb h GLN 565 Ca 0.04 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.70 1qhb h GLN 565 Cb 0.36 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1qhb h GLN 565 CO -0.14 0.64 0.26 0.82 -0.67 0.00 0.00 178.83 179.74 1qhb h ILE 566 N 1.00 1.09 -0.59 2.54 1.08 -1.02 -1.75 117.51 119.85 1qhb h ILE 566 Ca 0.32 -0.18 -0.10 0.00 -0.39 0.00 0.00 64.86 64.51 1qhb h ILE 566 Cb 0.01 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 1qhb h ILE 566 CO -0.11 0.10 -0.00 0.00 -0.69 0.00 0.00 178.15 177.44 1qhb h ALA 567 N 1.15 0.86 -0.38 1.87 0.00 -0.95 -1.53 119.26 120.29 1qhb h ALA 567 Ca 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1qhb h ALA 567 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1qhb h ALA 567 CO -0.04 0.66 0.18 0.82 0.00 0.00 0.00 179.25 180.87 1qhb h ILE 568 N 0.95 1.17 -0.97 0.00 2.04 -1.06 -1.68 117.51 117.96 1qhb h ILE 568 Ca 0.17 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1qhb h ILE 568 Cb 0.56 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 1qhb h ILE 568 CO 0.03 0.18 0.63 1.23 0.00 0.00 0.00 178.15 180.22 1qhb h GLY 569 N 0.47 1.38 0.94 5.37 0.00 -0.98 -1.50 103.07 108.75 1qhb h GLY 569 Ca 0.13 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1qhb h GLY 569 CO -0.02 0.52 0.16 -2.22 0.00 0.00 0.00 176.54 174.98 1qhb h ILE 570 N 1.33 1.16 -0.65 2.60 2.04 -0.84 -2.30 117.51 120.84 1qhb h ILE 570 Ca 0.36 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1qhb h ILE 570 Cb -0.13 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1qhb h ILE 570 CO -0.07 0.16 0.42 -0.07 0.00 0.00 0.00 178.15 178.59 1qhb h LEU 571 N 0.39 0.76 -0.83 1.44 3.38 -0.89 -1.14 115.31 118.42 1qhb h LEU 571 Ca 0.11 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1qhb h LEU 571 Cb 0.11 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1qhb h LEU 571 CO -0.01 0.56 0.47 -0.33 0.09 0.00 0.00 178.44 179.21 1qhb h GLU 572 N 0.88 1.14 -0.27 1.13 5.08 -1.08 -1.56 114.58 119.90 1qhb h GLU 572 Ca 0.24 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 1qhb h GLU 572 Cb -0.08 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 28.94 1qhb h GLU 572 CO -0.05 0.83 -0.51 0.93 -1.00 0.00 0.00 179.01 179.21 1qhb h GLU 573 N 1.14 0.77 0.00 2.33 5.08 -1.30 -2.93 114.58 119.67 1qhb h GLU 573 Ca 0.29 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1qhb h GLU 573 Cb 0.01 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1qhb h GLU 573 CO -0.05 1.09 0.00 1.04 -1.00 0.00 0.00 179.01 180.09 1qhb n GLN 574 N -4.00 0.20 0.19 2.33 6.02 -0.44 -2.97 117.38 118.71 1qhb n GLN 574 Ca -0.03 0.38 0.14 0.00 -0.01 0.00 0.00 57.00 57.48 1qhb n GLN 574 Cb 0.60 -1.85 0.53 0.00 1.02 0.00 0.00 30.24 30.53 1qhb n GLN 574 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1qhb h SER 575 N 0.00 0.00 0.95 1.08 4.64 -1.09 -2.00 113.55 117.13 1qhb h SER 575 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qhb h SER 575 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1qhb h SER 575 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1qhb n LEU 576 N -2.65 0.50 0.04 5.97 4.77 -1.16 -3.91 117.00 120.56 1qhb n LEU 576 Ca 0.02 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.71 1qhb n LEU 576 Cb 0.31 -0.48 0.21 0.00 -2.33 0.00 0.00 43.42 41.14 1qhb n LEU 576 CO 0.25 -0.31 0.40 0.35 -1.33 0.00 0.00 177.39 176.75 1qhb n THR 577 N -2.01 0.25 -3.92 -5.08 -2.24 -0.75 -4.92 114.28 95.60 1qhb n THR 577 Ca 0.04 -0.19 -0.35 0.00 -2.27 0.00 0.00 64.05 61.28 1qhb n THR 577 Cb 0.29 -0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 1qhb n THR 577 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1qhb s TYR 578 N -3.12 3.55 -0.68 4.78 2.02 -1.25 -5.00 117.35 117.65 1qhb s TYR 578 Ca 0.08 0.44 0.23 0.00 -0.37 0.00 0.00 57.07 57.44 1qhb s TYR 578 Cb 0.15 -1.88 0.09 0.00 -0.40 0.00 0.00 41.96 39.92 1qhb s TYR 578 CO 0.71 0.69 1.07 0.41 -1.57 0.00 0.00 175.55 176.85 1qhb n GLY 579 N 1.55 -1.21 3.70 0.71 0.00 -1.26 -4.97 105.19 103.72 1qhb n GLY 579 Ca -0.16 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 1qhb n GLY 579 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qhb s GLU 580 N -3.16 1.22 -0.46 1.61 8.01 -1.26 -5.00 118.70 119.66 1qhb s GLU 580 Ca 0.05 1.04 -0.16 0.00 0.01 0.00 0.00 54.97 55.90 1qhb s GLU 580 Cb 0.15 -1.79 0.06 0.00 -4.31 0.00 0.00 34.13 28.24 1qhb s GLU 580 CO 0.79 -2.33 0.41 1.21 0.01 0.00 0.00 175.26 175.36 1qhb s ASN 581 N -3.19 6.15 0.08 -0.19 2.47 -1.26 -4.99 114.94 114.02 1qhb s ASN 581 Ca 0.64 -1.18 -0.22 0.00 0.42 0.00 0.00 52.86 52.52 1qhb s ASN 581 Cb -0.19 -2.20 0.08 0.00 -1.45 0.00 0.00 41.25 37.49 1qhb s ASN 581 CO 0.58 -0.65 1.04 2.22 -3.72 0.00 0.00 177.10 176.57 1qhb n PHE 582 N 5.34 -0.87 -3.51 0.43 -1.74 -1.26 -4.76 117.46 111.10 1qhb n PHE 582 Ca -0.11 -0.93 -0.10 0.00 -0.56 0.00 0.00 57.45 55.75 1qhb n PHE 582 Cb 0.45 0.44 -0.03 0.00 1.52 0.00 0.00 39.48 41.86 1qhb n PHE 582 CO 0.00 0.00 0.00 -0.59 -0.56 0.00 0.00 176.76 175.61 1qhb s PHE 583 N -2.30 -0.41 -0.07 2.97 -0.12 -1.22 -5.00 117.98 111.82 1qhb s PHE 583 Ca 0.24 0.42 -0.21 0.00 -0.05 0.00 0.00 56.93 57.32 1qhb s PHE 583 Cb -0.02 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 1qhb s PHE 583 CO 0.02 -0.55 0.61 -0.06 -0.05 0.00 0.00 175.22 175.19 1qhb s PHE 584 N -2.57 3.57 -0.37 3.49 0.08 -1.26 -4.20 117.98 116.72 1qhb s PHE 584 Ca 0.01 1.12 -0.21 0.00 0.12 0.00 0.00 56.93 57.97 1qhb s PHE 584 Cb -0.01 -2.68 0.01 0.00 -0.57 0.00 0.00 43.02 39.77 1qhb s PHE 584 CO -0.05 0.16 0.69 1.21 -0.10 0.00 0.00 175.22 177.13 1qhb s ASN 585 N 0.57 6.45 -0.21 1.36 2.47 -1.26 -1.62 114.94 122.71 1qhb s ASN 585 Ca 0.32 0.16 0.02 0.00 0.42 0.00 0.00 52.86 53.78 1qhb s ASN 585 Cb -0.17 -2.35 0.03 0.00 -1.45 0.00 0.00 41.25 37.32 1qhb s ASN 585 CO 0.15 -0.67 -0.16 -0.22 -3.72 0.00 0.00 177.10 172.48 1qhb s LEU 586 N 2.86 2.58 -0.42 3.21 2.96 0.28 -4.41 118.68 125.75 1qhb s LEU 586 Ca 0.27 -0.92 -0.29 0.00 -0.22 0.00 0.00 54.13 52.97 1qhb s LEU 586 Cb -0.14 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.09 1qhb s LEU 586 CO 0.16 -0.07 1.17 -2.16 -1.32 0.00 0.00 176.35 174.13 1qhb s PRO 587 N 1.23 3.79 0.74 0.98 0.05 -1.26 -1.22 135.00 139.32 1qhb s PRO 587 Ca -0.00 0.77 -0.11 0.00 0.05 0.00 0.00 61.00 61.71 1qhb s PRO 587 Cb -0.16 -3.88 0.05 0.00 0.05 0.00 0.00 34.50 30.56 1qhb s PRO 587 CO -0.10 -1.28 1.11 0.15 0.05 0.00 0.00 177.00 176.93 1qhb s LYS 588 N 4.32 2.40 0.60 4.56 1.02 0.87 -4.96 119.74 128.54 1qhb s LYS 588 Ca 0.50 0.20 0.34 0.00 0.02 0.00 0.00 55.97 57.03 1qhb s LYS 588 Cb -0.10 -2.02 1.92 0.00 -0.52 0.00 0.00 37.83 37.11 1qhb s LYS 588 CO 0.28 -1.28 2.24 0.74 -0.92 0.00 0.00 175.35 176.40 1qhb h PHE 589 N -0.79 0.00 -0.11 3.18 0.04 -1.95 -2.15 116.94 115.16 1qhb h PHE 589 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1qhb h PHE 589 Cb 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.44 1qhb h PHE 589 CO 0.40 0.03 0.00 -0.40 -0.60 0.00 0.00 178.31 177.73 1qhb n ASP 590 N -3.51 1.46 0.00 2.17 5.68 -1.26 -4.59 116.55 116.49 1qhb n ASP 590 Ca -0.03 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 1qhb n ASP 590 Cb 0.12 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1qhb n ASP 590 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qhb n GLY 591 N 1.12 2.58 3.99 6.12 0.00 -0.81 -5.06 105.19 113.12 1qhb n GLY 591 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1qhb n GLY 591 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qhb s THR 592 N -2.74 2.98 -0.05 2.61 -4.23 -1.26 -4.83 115.64 108.13 1qhb s THR 592 Ca 0.00 -0.84 0.06 0.00 -1.18 0.00 0.00 61.69 59.73 1qhb s THR 592 Cb 0.00 -3.05 -0.01 0.00 1.34 0.00 0.00 72.50 70.78 1qhb s THR 592 CO 0.00 -0.03 -0.24 -0.89 -0.54 0.00 0.00 174.62 172.93 1qhb s THR 593 N -2.52 1.92 0.02 3.99 2.01 -1.26 -0.09 115.64 119.71 1qhb s THR 593 Ca 0.55 -1.00 0.05 0.00 0.31 0.00 0.00 61.69 61.60 1qhb s THR 593 Cb -0.10 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 1qhb s THR 593 CO 0.35 0.54 -0.11 -0.51 -0.69 0.00 0.00 174.62 174.20 1qhb s ILE 594 N -0.21 3.29 -0.26 1.82 2.07 -0.35 -4.94 121.20 122.62 1qhb s ILE 594 Ca -0.01 -0.94 -0.03 0.00 -1.41 0.00 0.00 60.65 58.26 1qhb s ILE 594 Cb -0.12 -2.41 0.02 0.00 0.13 0.00 0.00 42.46 40.07 1qhb s ILE 594 CO 0.03 0.37 -0.03 -1.10 -1.91 0.00 0.00 174.94 172.30 1qhb s GLN 595 N -1.42 2.93 0.00 3.50 -0.21 -1.26 -0.56 119.66 122.65 1qhb s GLN 595 Ca 0.16 -0.92 0.06 0.00 0.02 0.00 0.00 55.36 54.67 1qhb s GLN 595 Cb -0.11 -3.07 0.05 0.00 1.00 0.00 0.00 33.01 30.88 1qhb s GLN 595 CO 0.07 -0.39 0.68 -0.89 -2.12 0.00 0.00 175.29 172.64