#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hqa n GLU 3 N 0.00 0.00 -1.72 -1.46 -0.58 -1.26 -5.13 120.64 110.49 2hqa n GLU 3 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 2hqa n GLU 3 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 2hqa n GLU 3 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2hqa s PRO 4 N -0.11 4.14 -0.13 3.49 0.02 -1.26 -4.89 135.00 136.25 2hqa s PRO 4 Ca 0.00 2.59 0.10 0.00 0.02 0.00 0.00 61.00 63.71 2hqa s PRO 4 Cb 0.00 -3.55 -0.23 0.00 0.02 0.00 0.00 34.50 30.74 2hqa s PRO 4 CO 0.00 -0.83 0.31 0.54 -0.33 0.00 0.00 177.00 176.69 2hqa n ARG 5 N 5.53 0.67 -3.68 5.54 3.00 -1.26 -4.97 116.66 121.50 2hqa n ARG 5 Ca 0.17 0.17 -0.12 0.00 -0.01 0.00 0.00 57.85 58.07 2hqa n ARG 5 Cb 0.38 -1.66 -0.09 0.00 0.00 0.00 0.00 32.46 31.09 2hqa n ARG 5 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 2hqa s PHE 6 N -2.55 -0.70 0.15 -1.55 5.36 -1.26 -4.18 117.98 113.25 2hqa s PHE 6 Ca -0.13 1.57 0.09 0.00 -0.96 0.00 0.00 56.93 57.49 2hqa s PHE 6 Cb 0.07 0.30 -0.04 0.00 -0.34 0.00 0.00 43.02 43.02 2hqa s PHE 6 CO 0.79 -0.35 -0.20 0.14 -1.46 0.00 0.00 175.22 174.14 2hqa s VAL 7 N 0.80 1.86 -0.15 3.12 -7.23 -1.26 -4.85 120.40 112.69 2hqa s VAL 7 Ca -0.04 -1.82 -0.24 0.00 -1.81 0.00 0.00 61.98 58.08 2hqa s VAL 7 Cb -0.05 -1.80 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 2hqa s VAL 7 CO -0.06 -0.20 0.75 -1.00 -0.31 0.00 0.00 175.10 174.27 2hqa s HIS 8 N -1.71 3.44 -1.54 2.82 3.76 -1.26 -4.87 115.29 115.93 2hqa s HIS 8 Ca 0.14 1.17 0.12 0.00 -0.15 0.00 0.00 55.06 56.34 2hqa s HIS 8 Cb -0.07 -2.91 0.10 0.00 1.11 0.00 0.00 32.58 30.80 2hqa s HIS 8 CO 0.06 -0.15 0.89 1.28 -0.85 0.00 0.00 174.74 175.97 2hqa n LEU 9 N 4.88 2.03 -3.58 0.89 4.77 -1.26 -1.86 117.00 122.86 2hqa n LEU 9 Ca 0.02 -1.00 -0.22 0.00 -0.03 0.00 0.00 56.01 54.78 2hqa n LEU 9 Cb 0.50 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.43 2hqa n LEU 9 CO 0.47 0.38 -0.28 -0.60 -1.33 0.00 0.00 177.39 176.03 2hqa s ARG 10 N -1.03 0.09 -0.24 3.23 3.52 -1.26 -4.79 118.95 118.47 2hqa s ARG 10 Ca 0.14 0.12 -0.13 0.00 -0.13 0.00 0.00 55.73 55.73 2hqa s ARG 10 Cb 0.10 -1.35 0.08 0.00 -1.56 0.00 0.00 34.95 32.22 2hqa s ARG 10 CO 0.15 -0.60 0.58 0.08 -0.81 0.00 0.00 175.30 174.71 2hqa s VAL 11 N 2.22 -0.13 -0.06 7.11 1.01 -1.26 -1.72 120.40 127.57 2hqa s VAL 11 Ca 0.04 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 2hqa s VAL 11 Cb -0.15 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2hqa s VAL 11 CO -0.09 0.02 0.04 -1.00 0.00 0.00 0.00 175.10 174.07 2hqa s HIS 12 N 1.73 3.25 0.18 5.22 3.76 -0.73 -0.56 115.29 128.14 2hqa s HIS 12 Ca -0.09 0.23 0.03 0.00 -0.15 0.00 0.00 55.06 55.08 2hqa s HIS 12 Cb -0.07 -1.78 0.03 0.00 1.11 0.00 0.00 32.58 31.86 2hqa s HIS 12 CO -0.17 0.53 0.23 -1.13 -0.85 0.00 0.00 174.74 173.34 2hqa n SER 13 N 1.76 0.86 0.05 1.40 3.41 -1.26 -4.61 113.62 115.23 2hqa n SER 13 Ca -0.17 -1.51 0.10 0.00 -0.26 0.00 0.00 58.87 57.03 2hqa n SER 13 Cb 0.53 -0.11 0.41 0.00 -0.26 0.00 0.00 64.21 64.79 2hqa n SER 13 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2hqa n ASP 14 N -2.61 0.30 0.08 4.04 5.75 -0.63 -2.16 116.55 121.32 2hqa n ASP 14 Ca 0.04 0.56 0.08 0.00 -0.01 0.00 0.00 54.79 55.46 2hqa n ASP 14 Cb 0.19 -0.63 0.37 0.00 -1.03 0.00 0.00 41.12 40.02 2hqa n ASP 14 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2hqa n TYR 15 N -1.82 0.43 0.00 2.11 0.53 -1.26 -4.59 117.16 112.56 2hqa n TYR 15 Ca 0.03 0.20 0.00 0.00 -1.02 0.00 0.00 57.90 57.11 2hqa n TYR 15 Cb 0.23 -0.82 0.00 0.00 -1.03 0.00 0.00 39.34 37.72 2hqa n TYR 15 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 2hqa n SER 16 N -1.92 0.00 0.00 7.72 7.64 -0.92 -4.79 113.62 121.36 2hqa n SER 16 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2hqa n SER 16 Cb 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2hqa n SER 16 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2hqa n ILE 18 N 0.00 0.00 -3.48 0.44 -0.00 -1.26 -4.67 119.36 110.39 2hqa n ILE 18 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 62.75 62.74 2hqa n ILE 18 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 2hqa n ILE 18 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 2hqa n ASP 19 N 1.15 -0.40 0.00 4.38 3.85 -1.26 -4.81 116.55 119.47 2hqa n ASP 19 Ca 0.00 -1.22 0.00 0.00 -0.71 0.00 0.00 54.79 52.86 2hqa n ASP 19 Cb 0.00 0.65 0.00 0.00 -1.35 0.00 0.00 41.12 40.42 2hqa n ASP 19 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2hqa n GLY 20 N -0.15 1.35 1.86 6.12 0.00 -1.26 -4.60 105.19 108.51 2hqa n GLY 20 Ca -0.01 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2hqa n GLY 20 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2hqa n LEU 21 N -0.35 -0.00 -4.81 0.99 0.00 -1.20 -4.61 117.00 107.02 2hqa n LEU 21 Ca 0.00 0.26 -0.35 0.00 0.00 0.00 0.00 56.01 55.93 2hqa n LEU 21 Cb 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 43.42 43.54 2hqa n LEU 21 CO 0.00 -0.64 0.57 0.00 0.00 0.00 0.00 177.39 177.32 2hqa s ALA 22 N -2.00 3.20 1.02 1.96 0.00 -1.26 -4.43 121.76 120.25 2hqa s ALA 22 Ca 0.00 0.34 -0.17 0.00 0.00 0.00 0.00 51.96 52.13 2hqa s ALA 22 Cb 0.00 -3.04 0.22 0.00 0.00 0.00 0.00 23.12 20.30 2hqa s ALA 22 CO 0.00 0.21 1.28 0.15 0.00 0.00 0.00 175.76 177.40 2hqa s LYS 23 N -2.62 0.20 0.02 0.00 1.02 -1.26 -1.61 119.74 115.49 2hqa s LYS 23 Ca 0.54 -0.36 -0.24 0.00 0.02 0.00 0.00 55.97 55.94 2hqa s LYS 23 Cb -0.13 -1.79 -0.17 0.00 -0.52 0.00 0.00 37.83 35.22 2hqa s LYS 23 CO 0.18 -2.72 1.37 1.15 -0.92 0.00 0.00 175.35 174.41 2hqa h THR 24 N -1.86 1.32 -0.03 2.17 2.02 -1.96 -2.90 112.91 111.67 2hqa h THR 24 Ca -0.44 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 65.74 2hqa h THR 24 Cb 1.24 1.87 -0.00 0.00 -1.74 0.00 0.00 68.15 69.53 2hqa h THR 24 CO 0.36 0.27 0.02 0.00 0.37 0.00 0.00 175.52 176.55 2hqa h ALA 25 N 0.63 0.04 -0.47 6.16 0.00 -1.95 -2.64 119.26 121.03 2hqa h ALA 25 Ca 0.01 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2hqa h ALA 25 Cb 0.45 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2hqa h ALA 25 CO 0.01 -0.46 0.31 -1.35 0.00 0.00 0.00 179.25 177.76 2hqa h PRO 26 N 0.03 0.37 -0.56 0.00 0.11 -1.95 -1.04 132.00 128.95 2hqa h PRO 26 Ca 0.01 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 2hqa h PRO 26 Cb 0.01 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 2hqa h PRO 26 CO -0.00 0.24 0.12 -0.07 -0.21 0.00 0.00 178.00 178.08 2hqa h LEU 27 N 0.38 0.86 -0.65 2.35 3.38 -1.32 -1.17 115.31 119.15 2hqa h LEU 27 Ca 0.20 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2hqa h LEU 27 Cb 0.32 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2hqa h LEU 27 CO -0.05 0.88 0.38 0.58 0.09 0.00 0.00 178.44 180.32 2hqa h VAL 28 N 0.80 1.20 -0.64 1.22 2.07 -0.94 -0.30 116.25 119.65 2hqa h VAL 28 Ca 0.17 -0.46 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 2hqa h VAL 28 Cb 0.37 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2hqa h VAL 28 CO 0.00 0.21 0.07 0.11 0.02 0.00 0.00 177.57 177.98 2hqa h LYS 29 N 0.88 1.08 -0.64 1.57 1.79 -1.09 -0.46 116.57 119.71 2hqa h LYS 29 Ca 0.23 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 2hqa h LYS 29 Cb 0.00 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.51 2hqa h LYS 29 CO -0.04 1.01 0.36 -0.22 -1.08 0.00 0.00 179.45 179.48 2hqa h LYS 30 N 1.00 0.88 -0.57 3.15 3.11 -0.57 0.47 116.57 124.03 2hqa h LYS 30 Ca 0.19 -0.09 -0.06 0.00 -2.81 0.00 0.00 60.65 57.87 2hqa h LYS 30 Cb 0.48 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.51 2hqa h LYS 30 CO 0.02 0.65 0.11 0.00 -2.81 0.00 0.00 179.45 177.42 2hqa h ALA 31 N 1.18 0.76 -0.77 5.00 0.00 -0.68 -0.84 119.26 123.91 2hqa h ALA 31 Ca 0.23 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2hqa h ALA 31 Cb 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2hqa h ALA 31 CO -0.04 0.50 0.32 0.00 0.00 0.00 0.00 179.25 180.03 2hqa h ALA 32 N 1.01 1.00 0.00 0.00 0.00 -0.29 -2.16 119.26 118.82 2hqa h ALA 32 Ca 0.18 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2hqa h ALA 32 Cb 0.40 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2hqa h ALA 32 CO 0.01 0.61 -0.26 0.00 0.00 0.00 0.00 179.25 179.60 2hqa h ALA 33 N 1.16 1.02 -0.00 0.00 0.00 0.56 -0.22 119.26 121.78 2hqa h ALA 33 Ca 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2hqa h ALA 33 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2hqa h ALA 33 CO -0.02 0.33 -0.00 1.28 0.00 0.00 0.00 179.25 180.83 2hqa n LEU 34 N -3.43 0.15 -1.99 0.00 4.77 -0.38 -5.09 117.00 111.03 2hqa n LEU 34 Ca 0.00 -0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 55.94 2hqa n LEU 34 Cb 0.45 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 2hqa n LEU 34 CO 0.34 0.03 -0.31 0.61 -1.33 0.00 0.00 177.39 176.72 2hqa n GLY 35 N 1.06 -4.06 0.00 -0.72 0.00 -0.10 -4.73 105.19 96.64 2hqa n GLY 35 Ca 0.22 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.86 2hqa n GLY 35 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hqa n PRO 37 N 0.80 2.15 -3.76 1.61 -0.04 -1.26 -5.01 135.00 129.48 2hqa n PRO 37 Ca -0.19 -0.11 -0.08 0.00 -0.04 0.00 0.00 63.50 63.07 2hqa n PRO 37 Cb 0.30 -0.49 -0.02 0.00 -0.04 0.00 0.00 33.50 33.25 2hqa n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hqa s ALA 38 N -0.34 -1.30 -0.30 0.55 0.00 -1.26 -1.31 121.76 117.80 2hqa s ALA 38 Ca 0.00 -0.13 -0.16 0.00 0.00 0.00 0.00 51.96 51.67 2hqa s ALA 38 Cb 0.00 0.86 0.18 0.00 0.00 0.00 0.00 23.12 24.16 2hqa s ALA 38 CO 0.00 -0.97 1.16 -1.17 0.00 0.00 0.00 175.76 174.78 2hqa s LEU 39 N -2.88 -0.24 -0.01 0.00 1.98 -1.00 -4.52 118.68 112.01 2hqa s LEU 39 Ca 0.09 0.19 -0.22 0.00 -2.89 0.00 0.00 54.13 51.29 2hqa s LEU 39 Cb -0.05 1.22 -0.05 0.00 0.66 0.00 0.00 46.19 47.97 2hqa s LEU 39 CO 0.02 -0.04 0.65 0.00 -1.89 0.00 0.00 176.35 175.09 2hqa s ALA 40 N 2.79 3.43 -0.22 5.97 0.00 -0.78 -1.87 121.76 131.08 2hqa s ALA 40 Ca -0.05 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 2hqa s ALA 40 Cb -0.08 -2.84 -0.00 0.00 0.00 0.00 0.00 23.12 20.20 2hqa s ALA 40 CO -0.10 0.08 -0.05 0.42 0.00 0.00 0.00 175.76 176.11 2hqa s ILE 41 N 0.08 3.28 -0.62 0.00 1.01 -1.21 -4.13 121.20 119.60 2hqa s ILE 41 Ca 0.34 -0.57 0.06 0.00 0.00 0.00 0.00 60.65 60.47 2hqa s ILE 41 Cb -0.18 -2.51 0.28 0.00 0.01 0.00 0.00 42.46 40.05 2hqa s ILE 41 CO 0.18 0.40 0.81 0.35 0.00 0.00 0.00 174.94 176.68 2hqa n THR 42 N 4.78 2.61 -0.70 2.92 -2.24 0.27 -3.83 114.28 118.09 2hqa n THR 42 Ca -0.18 -5.34 -0.29 0.00 -2.27 0.00 0.00 64.05 55.96 2hqa n THR 42 Cb 0.50 -1.88 0.20 0.00 -2.10 0.00 0.00 70.33 67.06 2hqa n THR 42 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2hqa s ASP 43 N -2.80 2.03 -0.61 3.42 1.01 -1.26 -2.95 116.67 115.52 2hqa s ASP 43 Ca 0.43 1.75 -0.28 0.00 0.71 0.00 0.00 52.55 55.16 2hqa s ASP 43 Cb 0.19 -2.38 0.02 0.00 1.01 0.00 0.00 42.92 41.76 2hqa s ASP 43 CO -0.05 -3.59 1.37 0.12 0.21 0.00 0.00 175.17 173.24 2hqa s PHE 44 N -2.60 2.30 -1.27 4.23 5.36 -1.26 -1.43 117.98 123.31 2hqa s PHE 44 Ca 0.67 0.35 0.00 0.00 -0.96 0.00 0.00 56.93 57.00 2hqa s PHE 44 Cb -0.23 -4.45 0.00 0.00 -0.34 0.00 0.00 43.02 38.00 2hqa s PHE 44 CO 0.61 -1.96 0.00 2.41 -1.46 0.00 0.00 175.22 174.82 2hqa n THR 45 N 6.73 -0.59 -3.83 0.12 -1.04 0.26 -4.90 114.28 111.04 2hqa n THR 45 Ca 0.10 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.02 2hqa n THR 45 Cb 0.49 -1.95 -0.04 0.00 -1.82 0.00 0.00 70.33 67.02 2hqa n THR 45 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2hqa s ASN 46 N -2.06 -0.23 -0.12 8.00 2.20 -1.25 -4.93 114.94 116.56 2hqa s ASN 46 Ca 0.00 -0.61 0.19 0.00 -0.94 0.00 0.00 52.86 51.50 2hqa s ASN 46 Cb 0.00 0.63 0.44 0.00 -2.00 0.00 0.00 41.25 40.31 2hqa s ASN 46 CO 0.00 -1.16 1.18 0.18 -2.94 0.00 0.00 177.10 174.36 2hqa n LEU 47 N -0.39 1.92 -0.36 3.54 4.77 -1.26 -4.34 117.00 120.88 2hqa n LEU 47 Ca -0.06 -2.95 0.05 0.00 -0.03 0.00 0.00 56.01 53.02 2hqa n LEU 47 Cb 0.61 -0.16 0.21 0.00 -2.33 0.00 0.00 43.42 41.75 2hqa n LEU 47 CO 0.18 0.98 1.25 0.00 -1.33 0.00 0.00 177.39 178.46 2hqa n GLY 49 N -1.35 0.17 0.16 0.00 0.00 -1.26 -4.57 105.19 98.33 2hqa n GLY 49 Ca 0.17 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 2hqa n GLY 49 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2hqa h LEU 50 N 1.43 -0.26 -1.02 0.99 5.85 -1.63 0.09 115.31 120.75 2hqa h LEU 50 Ca 0.00 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.66 2hqa h LEU 50 Cb 0.34 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 2hqa h LEU 50 CO 0.00 0.00 0.64 0.58 -0.34 0.00 0.00 178.44 179.33 2hqa h VAL 51 N -0.52 1.01 0.00 1.05 2.07 -1.81 -0.86 116.25 117.19 2hqa h VAL 51 Ca -0.03 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 2hqa h VAL 51 Cb 0.39 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2hqa h VAL 51 CO 0.05 0.20 -0.41 0.11 0.02 0.00 0.00 177.57 177.54 2hqa h LYS 52 N 1.08 0.00 0.02 1.57 1.57 -1.75 -2.00 116.57 117.07 2hqa h LYS 52 Ca 0.46 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.24 2hqa h LYS 52 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2hqa h LYS 52 CO -0.21 0.41 -0.01 0.35 -0.57 0.00 0.00 179.45 179.42 2hqa h PHE 53 N 0.00 -0.03 -0.22 -1.35 3.57 0.21 -1.63 116.94 117.50 2hqa h PHE 53 Ca -0.00 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.52 2hqa h PHE 53 Cb 0.81 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 2hqa h PHE 53 CO 0.00 0.47 0.05 1.88 -2.23 0.00 0.00 178.31 178.48 2hqa h TYR 54 N -0.54 0.09 -0.20 0.41 -1.99 -1.09 0.90 116.97 114.55 2hqa h TYR 54 Ca -0.00 0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.79 2hqa h TYR 54 Cb 0.51 -0.01 -0.06 0.00 2.00 0.00 0.00 36.73 39.18 2hqa h TYR 54 CO 0.10 0.03 -0.17 0.78 -0.00 0.00 0.00 178.16 178.90 2hqa h GLY 55 N 0.14 -0.06 1.16 3.88 0.00 -1.40 -2.05 103.07 104.74 2hqa h GLY 55 Ca 0.10 0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.59 2hqa h GLY 55 CO -0.13 -0.17 0.21 0.00 0.00 0.00 0.00 176.54 176.45 2hqa h ALA 56 N 0.91 1.08 0.07 3.60 0.00 -1.00 -2.88 119.26 121.04 2hqa h ALA 56 Ca 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2hqa h ALA 56 Cb 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2hqa h ALA 56 CO -0.31 0.63 -0.03 0.78 0.00 0.00 0.00 179.25 180.32 2hqa h GLY 57 N 1.08 -0.10 -0.52 0.00 0.00 -0.61 -2.09 103.07 100.83 2hqa h GLY 57 Ca 0.22 0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.65 2hqa h GLY 57 CO -0.01 -0.03 -0.53 0.84 0.00 0.00 0.00 176.54 176.81 2hqa h HIS 58 N -0.21 -1.62 -0.15 5.60 6.17 -1.39 0.03 115.15 123.58 2hqa h HIS 58 Ca -0.01 0.09 0.04 0.00 0.71 0.00 0.00 60.37 61.20 2hqa h HIS 58 Cb 0.18 0.78 -0.01 0.00 2.52 0.00 0.00 27.41 30.89 2hqa h HIS 58 CO -0.03 -0.46 0.13 0.78 0.71 0.00 0.00 177.93 179.06 2hqa h GLY 59 N -0.29 0.00 -0.77 5.26 0.00 -1.28 -2.79 103.07 103.20 2hqa h GLY 59 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2hqa h GLY 59 CO -0.67 0.00 -0.16 0.00 0.00 0.00 0.00 176.54 175.70 2hqa n ALA 60 N -2.43 2.79 -2.85 3.60 0.00 -0.70 -4.99 120.51 115.93 2hqa n ALA 60 Ca 0.01 -0.53 -0.09 0.00 0.00 0.00 0.00 53.44 52.82 2hqa n ALA 60 Cb 0.25 -0.45 0.03 0.00 0.00 0.00 0.00 19.45 19.29 2hqa n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hqa n GLY 61 N 0.91 0.32 3.41 0.00 0.00 -0.09 -4.95 105.19 104.79 2hqa n GLY 61 Ca 0.06 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 2hqa n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hqa s ILE 62 N -3.05 2.62 -0.18 -0.61 -1.09 -0.74 -4.86 121.20 113.28 2hqa s ILE 62 Ca 0.21 -1.02 -0.21 0.00 -2.23 0.00 0.00 60.65 57.41 2hqa s ILE 62 Cb -0.09 -2.02 -0.03 0.00 -1.58 0.00 0.00 42.46 38.74 2hqa s ILE 62 CO 0.26 0.50 0.61 -0.75 -1.23 0.00 0.00 174.94 174.33 2hqa s LYS 63 N -0.93 4.23 0.29 2.79 2.20 -0.43 -4.19 119.74 123.70 2hqa s LYS 63 Ca 0.12 0.60 -0.29 0.00 -0.36 0.00 0.00 55.97 56.04 2hqa s LYS 63 Cb -0.10 -3.56 -0.10 0.00 -1.51 0.00 0.00 37.83 32.56 2hqa s LYS 63 CO 0.01 -0.18 1.17 -2.14 -0.36 0.00 0.00 175.35 173.86 2hqa s PRO 64 N 1.71 4.54 -0.28 4.03 0.02 -1.26 -2.38 135.00 141.38 2hqa s PRO 64 Ca 0.29 1.94 -0.02 0.00 0.02 0.00 0.00 61.00 63.22 2hqa s PRO 64 Cb -0.16 -3.16 0.04 0.00 0.02 0.00 0.00 34.50 31.24 2hqa s PRO 64 CO 0.11 0.06 -0.01 0.42 -0.33 0.00 0.00 177.00 177.25 2hqa s ILE 65 N -1.07 3.04 0.17 2.83 1.01 -0.78 -4.76 121.20 121.64 2hqa s ILE 65 Ca 0.46 -1.21 -0.30 0.00 0.00 0.00 0.00 60.65 59.60 2hqa s ILE 65 Cb -0.34 -2.67 -0.08 0.00 0.01 0.00 0.00 42.46 39.38 2hqa s ILE 65 CO 0.44 0.00 1.25 -0.69 0.00 0.00 0.00 174.94 175.95 2hqa s VAL 66 N 1.30 3.48 0.07 2.92 1.01 -1.26 -3.34 120.40 124.58 2hqa s VAL 66 Ca -0.03 1.19 -0.26 0.00 0.00 0.00 0.00 61.98 62.88 2hqa s VAL 66 Cb -0.19 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.52 2hqa s VAL 66 CO -0.02 0.17 1.16 -0.83 0.00 0.00 0.00 175.10 175.58 2hqa s GLY 67 N 0.39 -0.14 0.05 4.51 0.00 -1.25 -1.08 107.32 109.80 2hqa s GLY 67 Ca 0.56 0.11 -0.21 0.00 0.00 0.00 0.00 44.72 45.18 2hqa s GLY 67 CO 0.36 2.34 0.48 0.00 0.00 0.00 0.00 173.10 176.28 2hqa s ALA 68 N -2.36 -1.20 0.36 3.20 0.00 -0.53 -3.99 121.76 117.24 2hqa s ALA 68 Ca 0.20 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.63 2hqa s ALA 68 Cb 0.00 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 2hqa s ALA 68 CO 0.01 -0.50 0.57 -0.51 0.00 0.00 0.00 175.76 175.33 2hqa s ASP 69 N -2.04 6.24 -0.02 0.00 1.01 -0.51 -1.36 116.67 119.99 2hqa s ASP 69 Ca -0.05 0.45 -0.13 0.00 0.71 0.00 0.00 52.55 53.53 2hqa s ASP 69 Cb -0.01 -1.98 0.02 0.00 1.01 0.00 0.00 42.92 41.96 2hqa s ASP 69 CO -0.03 -0.35 0.27 -0.36 0.21 0.00 0.00 175.17 174.91 2hqa s PHE 70 N -2.36 -0.15 -0.08 4.23 0.40 -0.66 -0.58 117.98 118.79 2hqa s PHE 70 Ca 0.41 0.23 -0.18 0.00 -0.60 0.00 0.00 56.93 56.79 2hqa s PHE 70 Cb -0.10 0.07 -0.05 0.00 0.51 0.00 0.00 43.02 43.46 2hqa s PHE 70 CO 0.37 -0.35 0.49 -0.80 0.70 0.00 0.00 175.22 175.62 2hqa s ASN 71 N -1.23 6.76 0.08 1.36 0.01 -1.26 -2.41 114.94 118.26 2hqa s ASN 71 Ca -0.13 0.90 0.08 0.00 -0.71 0.00 0.00 52.86 53.01 2hqa s ASN 71 Cb -0.05 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 2hqa s ASN 71 CO 0.03 0.07 -0.21 0.68 -1.51 0.00 0.00 177.10 176.16 2hqa s VAL 72 N 0.22 1.73 -0.03 1.60 -7.23 0.24 -1.66 120.40 115.28 2hqa s VAL 72 Ca 0.27 -1.43 -0.00 0.00 -1.81 0.00 0.00 61.98 59.01 2hqa s VAL 72 Cb -0.16 -1.55 0.03 0.00 0.56 0.00 0.00 36.38 35.26 2hqa s VAL 72 CO 0.12 0.05 0.01 -1.58 -0.31 0.00 0.00 175.10 173.40 2hqa s GLN 73 N -1.64 0.21 0.04 4.82 0.74 -0.73 0.20 119.66 123.30 2hqa s GLN 73 Ca 0.07 0.14 -0.10 0.00 0.05 0.00 0.00 55.36 55.53 2hqa s GLN 73 Cb -0.10 -0.49 0.01 0.00 1.10 0.00 0.00 33.01 33.53 2hqa s GLN 73 CO 0.03 -0.19 0.21 0.00 -0.55 0.00 0.00 175.29 174.79 2hqa h ASP 75 N 3.41 0.65 -0.85 0.00 3.45 -1.99 -1.62 116.42 119.46 2hqa h ASP 75 Ca -0.32 0.14 0.14 0.00 0.43 0.00 0.00 57.03 57.42 2hqa h ASP 75 Cb 1.19 0.05 -0.06 0.00 -0.56 0.00 0.00 39.33 39.94 2hqa h ASP 75 CO 0.48 0.08 0.55 -0.07 -1.57 0.00 0.00 179.24 178.71 2hqa h LEU 76 N 0.55 0.58 -1.80 1.55 3.38 -2.00 -2.41 115.31 115.16 2hqa h LEU 76 Ca 0.65 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.65 2hqa h LEU 76 Cb 1.25 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2hqa h LEU 76 CO -0.49 0.30 0.00 0.18 0.09 0.00 0.00 178.44 178.52 2hqa n LEU 77 N -4.54 2.67 0.00 1.67 4.77 -0.63 -5.07 117.00 115.87 2hqa n LEU 77 Ca 0.16 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 2hqa n LEU 77 Cb 0.48 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2hqa n LEU 77 CO 0.30 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 2hqa n GLY 78 N 1.10 0.91 0.30 -0.72 0.00 -0.91 -3.38 105.19 102.50 2hqa n GLY 78 Ca 0.12 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.48 2hqa n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hqa n ASP 79 N 6.02 1.37 -4.67 1.61 8.00 -1.26 -4.54 116.55 123.09 2hqa n ASP 79 Ca 0.00 -1.09 -0.42 0.00 0.71 0.00 0.00 54.79 53.98 2hqa n ASP 79 Cb 0.00 0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 41.43 2hqa n ASP 79 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2hqa s GLU 80 N -2.58 4.20 0.12 -1.24 2.12 -1.22 -5.01 118.70 115.10 2hqa s GLU 80 Ca 0.20 2.15 -0.16 0.00 0.36 0.00 0.00 54.97 57.52 2hqa s GLU 80 Cb 0.18 -3.88 -0.07 0.00 0.26 0.00 0.00 34.13 30.63 2hqa s GLU 80 CO 0.59 -0.79 0.55 -0.51 -0.54 0.00 0.00 175.26 174.55 2hqa s LEU 81 N 3.65 4.40 0.26 2.70 1.43 -1.26 -4.68 118.68 125.18 2hqa s LEU 81 Ca 0.71 1.13 0.08 0.00 -1.03 0.00 0.00 54.13 55.03 2hqa s LEU 81 Cb -0.33 -3.14 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 2hqa s LEU 81 CO 0.29 0.16 -0.12 0.42 0.23 0.00 0.00 176.35 177.33 2hqa s THR 82 N -1.35 1.91 -0.10 5.49 -4.23 0.13 -4.84 115.64 112.65 2hqa s THR 82 Ca 0.35 -2.22 -0.11 0.00 -1.18 0.00 0.00 61.69 58.52 2hqa s THR 82 Cb -0.16 -2.31 -0.05 0.00 1.34 0.00 0.00 72.50 71.32 2hqa s THR 82 CO 0.19 -0.41 0.26 -1.00 -0.54 0.00 0.00 174.62 173.12 2hqa s HIS 83 N -2.85 3.58 0.06 3.99 3.76 -1.26 0.82 115.29 123.38 2hqa s HIS 83 Ca 0.28 0.67 0.03 0.00 -0.15 0.00 0.00 55.06 55.88 2hqa s HIS 83 Cb 0.00 -2.17 -0.03 0.00 1.11 0.00 0.00 32.58 31.49 2hqa s HIS 83 CO 0.11 0.53 -0.09 -1.17 -0.85 0.00 0.00 174.74 173.28 2hqa s LEU 84 N -0.50 2.30 -0.12 0.89 0.20 -1.01 -3.98 118.68 116.46 2hqa s LEU 84 Ca 0.17 -0.63 0.02 0.00 0.69 0.00 0.00 54.13 54.38 2hqa s LEU 84 Cb -0.14 -0.22 -0.00 0.00 -0.43 0.00 0.00 46.19 45.40 2hqa s LEU 84 CO 0.06 -0.22 -0.20 -0.89 -0.29 0.00 0.00 176.35 174.81 2hqa s THR 85 N -1.70 2.39 -0.17 3.68 2.01 -0.89 -1.65 115.64 119.31 2hqa s THR 85 Ca -0.05 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.04 2hqa s THR 85 Cb -0.08 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 2hqa s THR 85 CO 0.00 0.55 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.70 2hqa s VAL 86 N 0.41 3.24 0.07 3.82 1.01 -0.47 -0.62 120.40 127.86 2hqa s VAL 86 Ca -0.15 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2hqa s VAL 86 Cb -0.17 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2hqa s VAL 86 CO 0.07 0.48 0.02 -0.76 0.00 0.00 0.00 175.10 174.90 2hqa s LEU 87 N 0.82 3.54 -0.46 3.92 1.43 0.43 -1.45 118.68 126.91 2hqa s LEU 87 Ca -0.03 -0.11 -0.18 0.00 -1.03 0.00 0.00 54.13 52.78 2hqa s LEU 87 Cb -0.15 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 43.90 2hqa s LEU 87 CO 0.01 0.20 0.54 0.00 0.23 0.00 0.00 176.35 177.33 2hqa s ALA 88 N -1.27 3.41 0.20 4.21 0.00 -0.24 -0.97 121.76 127.09 2hqa s ALA 88 Ca 0.25 -1.59 0.08 0.00 0.00 0.00 0.00 51.96 50.69 2hqa s ALA 88 Cb -0.12 -3.21 0.09 0.00 0.00 0.00 0.00 23.12 19.88 2hqa s ALA 88 CO 0.17 -1.79 1.45 0.00 0.00 0.00 0.00 175.76 175.59 2hqa h ALA 89 N 8.85 0.67 -3.16 0.00 0.00 -1.00 -3.41 119.26 121.22 2hqa h ALA 89 Ca -0.27 -0.71 -0.10 0.00 0.00 0.00 0.00 54.91 53.83 2hqa h ALA 89 Cb 1.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2hqa h ALA 89 CO 0.88 0.96 -0.07 0.27 0.00 0.00 0.00 179.25 181.29 2hqa n ASN 90 N -3.62 -0.36 0.17 0.00 2.04 -1.24 -0.10 115.26 112.15 2hqa n ASN 90 Ca -0.01 -1.59 0.02 0.00 -0.44 0.00 0.00 54.58 52.56 2hqa n ASN 90 Cb 0.76 0.69 0.28 0.00 -2.53 0.00 0.00 39.78 38.99 2hqa n ASN 90 CO 0.00 0.00 0.00 0.78 -0.44 0.00 0.00 177.26 177.60 2hqa h ASN 91 N 0.60 0.00 -0.76 0.53 4.21 -1.93 0.11 115.58 118.34 2hqa h ASN 91 Ca -0.08 0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.45 2hqa h ASN 91 Cb 0.36 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.52 2hqa h ASN 91 CO 0.11 0.47 0.50 0.74 -1.29 0.00 0.00 177.43 177.96 2hqa h THR 92 N 0.00 1.16 -0.08 2.81 2.02 -1.93 -2.42 112.91 114.47 2hqa h THR 92 Ca -0.00 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 2hqa h THR 92 Cb 0.92 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2hqa h THR 92 CO 0.06 0.18 -0.09 1.23 0.37 0.00 0.00 175.52 177.27 2hqa h GLY 93 N 0.98 0.23 0.19 2.16 0.00 -1.41 -2.20 103.07 103.02 2hqa h GLY 93 Ca 0.29 -0.24 0.18 0.00 0.00 0.00 0.00 47.33 47.57 2hqa h GLY 93 CO -0.07 0.22 0.61 -1.82 0.00 0.00 0.00 176.54 175.48 2hqa h TYR 94 N -0.21 1.00 -0.09 5.60 3.20 -0.68 0.26 116.97 126.04 2hqa h TYR 94 Ca 0.01 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 2hqa h TYR 94 Cb 0.61 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 2hqa h TYR 94 CO 0.09 0.25 -0.07 1.96 -1.64 0.00 0.00 178.16 178.75 2hqa h GLN 95 N 0.74 0.21 -0.44 1.82 1.08 -1.24 -1.58 115.11 115.70 2hqa h GLN 95 Ca 0.55 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.65 2hqa h GLN 95 Cb 0.89 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.30 2hqa h GLN 95 CO -0.34 0.61 0.25 -0.91 -0.95 0.00 0.00 178.83 177.49 2hqa h ASN 96 N -0.19 0.53 -0.80 1.46 2.35 -0.71 0.24 115.58 118.46 2hqa h ASN 96 Ca 0.02 -0.07 0.10 0.00 -0.55 0.00 0.00 56.30 55.80 2hqa h ASN 96 Cb 0.56 -0.13 -0.07 0.00 0.05 0.00 0.00 38.32 38.72 2hqa h ASN 96 CO 0.02 0.44 0.44 0.25 -1.65 0.00 0.00 177.43 176.94 2hqa h LEU 97 N 0.57 0.62 -1.06 1.61 5.85 -0.52 0.24 115.31 122.63 2hqa h LEU 97 Ca 0.16 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 2hqa h LEU 97 Cb 0.02 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2hqa h LEU 97 CO -0.03 0.35 0.24 0.74 -0.34 0.00 0.00 178.44 179.40 2hqa h THR 98 N 0.74 1.22 -0.24 1.05 2.02 -0.54 -2.47 112.91 114.69 2hqa h THR 98 Ca 0.39 -0.70 -0.08 0.00 0.77 0.00 0.00 66.41 66.78 2hqa h THR 98 Cb 0.39 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 2hqa h THR 98 CO -0.26 0.28 -0.18 -0.07 0.37 0.00 0.00 175.52 175.66 2hqa h LEU 99 N 0.90 0.57 0.00 2.58 4.07 0.12 -2.38 115.31 121.16 2hqa h LEU 99 Ca 0.21 -0.45 0.00 0.00 0.08 0.00 0.00 57.88 57.72 2hqa h LEU 99 Cb 0.19 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.77 2hqa h LEU 99 CO -0.02 0.90 0.00 0.18 -1.08 0.00 0.00 178.44 178.42 2hqa n LEU 100 N -4.43 0.00 -0.32 1.67 4.77 0.63 -1.23 117.00 118.08 2hqa n LEU 100 Ca -0.04 0.99 0.18 0.00 -0.03 0.00 0.00 56.01 57.11 2hqa n LEU 100 Cb 0.39 -0.49 0.38 0.00 -2.33 0.00 0.00 43.42 41.38 2hqa n LEU 100 CO 0.42 -0.49 1.05 0.40 -1.33 0.00 0.00 177.39 177.44 2hqa h ILE 101 N 0.00 0.34 0.00 -0.08 2.04 -1.47 1.07 117.51 119.41 2hqa h ILE 101 Ca 0.00 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.68 2hqa h ILE 101 Cb 0.00 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 2hqa h ILE 101 CO 0.00 0.06 -0.36 0.28 0.00 0.00 0.00 178.15 178.13 2hqa h SER 102 N 0.31 0.00 0.02 1.72 0.02 -1.08 -2.51 113.55 112.03 2hqa h SER 102 Ca 0.64 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 61.34 2hqa h SER 102 Cb 1.37 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.93 2hqa h SER 102 CO -0.61 0.36 -1.00 0.50 -1.14 0.00 0.00 176.83 174.94 2hqa h LYS 103 N 0.00 0.69 -0.17 3.45 3.64 0.26 -1.38 116.57 123.05 2hqa h LYS 103 Ca -0.00 -0.71 0.02 0.00 -1.27 0.00 0.00 60.65 58.68 2hqa h LYS 103 Cb 0.75 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 2hqa h LYS 103 CO 0.05 1.30 0.05 0.00 -2.27 0.00 0.00 179.45 178.58 2hqa h ALA 104 N 0.46 0.19 -0.32 5.00 0.00 -0.96 -2.92 119.26 120.70 2hqa h ALA 104 Ca -0.12 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 2hqa h ALA 104 Cb 1.65 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2hqa h ALA 104 CO 0.20 -0.38 -0.26 1.88 0.00 0.00 0.00 179.25 180.68 2hqa h TYR 105 N 0.14 0.74 0.00 0.00 -1.99 -1.45 -3.18 116.97 111.23 2hqa h TYR 105 Ca 0.07 -0.17 -0.00 0.00 2.00 0.00 0.00 58.73 60.63 2hqa h TYR 105 Cb 0.05 -0.18 -0.00 0.00 2.00 0.00 0.00 36.73 38.60 2hqa h TYR 105 CO -0.12 0.85 -0.02 1.96 -0.00 0.00 0.00 178.16 180.84 2hqa h GLN 106 N 0.56 0.00 0.00 4.88 4.20 -1.13 -2.61 115.11 121.02 2hqa h GLN 106 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2hqa h GLN 106 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2hqa h GLN 106 CO 0.06 0.02 0.00 -0.09 -0.67 0.00 0.00 178.83 178.15 2hqa h ARG 107 N 0.00 0.00 -0.04 1.46 1.12 -1.49 -3.40 114.38 112.03 2hqa h ARG 107 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2hqa h ARG 107 Cb 0.66 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.61 2hqa h ARG 107 CO 0.00 0.00 -0.01 0.41 -3.11 0.00 0.00 179.97 177.27 2hqa n GLY 108 N 1.12 -1.41 3.73 2.80 0.00 -0.98 -4.71 105.19 105.74 2hqa n GLY 108 Ca 0.05 -1.53 -0.01 0.00 0.00 0.00 0.00 46.02 44.53 2hqa n GLY 108 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hqa s TYR 109 N -1.21 -0.05 0.00 1.61 -0.85 -0.10 -4.79 117.35 111.96 2hqa s TYR 109 Ca 0.00 -0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.39 2hqa s TYR 109 Cb 0.00 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.94 2hqa s TYR 109 CO 0.00 -0.55 0.00 0.41 -1.52 0.00 0.00 175.55 173.89 2hqa n GLY 110 N -0.55 4.68 0.32 5.49 0.00 -1.26 -4.61 105.19 109.26 2hqa n GLY 110 Ca -0.06 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.24 2hqa n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hqa h ALA 111 N 0.56 2.24 0.00 4.61 0.00 -2.03 -1.80 119.26 122.83 2hqa h ALA 111 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hqa h ALA 111 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2hqa h ALA 111 CO 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 178.94 2hqa h ALA 112 N 1.87 1.00 0.00 0.00 0.00 -2.04 -3.49 119.26 116.61 2hqa h ALA 112 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2hqa h ALA 112 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2hqa h ALA 112 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2hqa n GLY 113 N -0.38 -0.44 3.75 0.00 0.00 -0.68 -4.94 105.19 102.51 2hqa n GLY 113 Ca -0.00 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 2hqa n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hqa n PRO 114 N -0.41 1.91 -4.09 1.61 -0.04 -1.26 -4.51 135.00 128.21 2hqa n PRO 114 Ca 0.00 0.69 -0.13 0.00 -0.04 0.00 0.00 63.50 64.03 2hqa n PRO 114 Cb 0.00 -2.61 -0.11 0.00 -0.04 0.00 0.00 33.50 30.74 2hqa n PRO 114 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2hqa s ILE 115 N -1.25 0.59 0.06 0.52 1.01 -1.26 -4.48 121.20 116.39 2hqa s ILE 115 Ca 0.68 -1.30 0.05 0.00 0.00 0.00 0.00 60.65 60.09 2hqa s ILE 115 Cb -0.43 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 2hqa s ILE 115 CO 0.52 -0.50 -0.07 0.27 0.00 0.00 0.00 174.94 175.16 2hqa s ILE 116 N -1.93 3.57 0.04 2.92 -4.36 -0.66 -4.43 121.20 116.35 2hqa s ILE 116 Ca -0.04 -1.03 -0.29 0.00 -0.26 0.00 0.00 60.65 59.02 2hqa s ILE 116 Cb -0.06 -2.62 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 2hqa s ILE 116 CO -0.01 0.23 0.95 -1.81 0.24 0.00 0.00 174.94 174.54 2hqa s ASP 117 N -1.90 7.39 0.29 4.36 -0.00 -1.26 -1.77 116.67 123.78 2hqa s ASP 117 Ca 0.20 1.68 0.02 0.00 -0.00 0.00 0.00 52.55 54.45 2hqa s ASP 117 Cb -0.11 -2.57 0.70 0.00 -0.00 0.00 0.00 42.92 40.94 2hqa s ASP 117 CO 0.12 -0.18 1.66 -0.09 -0.00 0.00 0.00 175.17 176.69 2hqa h ARG 118 N 6.33 0.26 -0.02 8.23 2.43 -1.73 -1.45 114.38 128.43 2hqa h ARG 118 Ca -0.42 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 58.74 2hqa h ARG 118 Cb 1.22 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2hqa h ARG 118 CO 0.74 0.17 0.04 -0.44 -1.51 0.00 0.00 179.97 178.96 2hqa h ASP 119 N 0.26 0.00 -0.65 -3.80 3.45 -1.94 0.23 116.42 113.98 2hqa h ASP 119 Ca 0.54 0.00 0.09 0.00 0.43 0.00 0.00 57.03 58.10 2hqa h ASP 119 Cb 1.07 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.80 2hqa h ASP 119 CO -0.61 0.00 0.43 -0.50 -1.57 0.00 0.00 179.24 176.99 2hqa h TRP 120 N 0.00 0.54 0.00 4.55 4.06 -1.67 -1.45 115.95 121.98 2hqa h TRP 120 Ca 0.01 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.97 2hqa h TRP 120 Cb 0.08 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 28.07 2hqa h TRP 120 CO 0.00 0.26 0.00 1.28 -3.56 0.00 0.00 178.44 176.42 2hqa n LEU 121 N -4.48 0.00 -0.05 -4.49 4.77 0.81 -1.29 117.00 112.27 2hqa n LEU 121 Ca 0.10 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.88 2hqa n LEU 121 Cb 0.35 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.31 2hqa n LEU 121 CO 0.34 0.00 -0.41 0.40 -1.33 0.00 0.00 177.39 176.39 2hqa h ILE 122 N 0.00 1.03 0.16 -0.08 2.04 -1.41 -3.39 117.51 115.86 2hqa h ILE 122 Ca 0.00 -2.30 -0.29 0.00 1.00 0.00 0.00 64.86 63.27 2hqa h ILE 122 Cb 0.00 2.57 0.02 0.00 -0.74 0.00 0.00 36.82 38.67 2hqa h ILE 122 CO 0.00 0.55 -1.30 -0.08 0.00 0.00 0.00 178.15 177.32 2hqa h GLU 123 N -0.63 0.37 -3.59 2.37 4.57 -1.66 -3.40 114.58 112.62 2hqa h GLU 123 Ca -0.30 -0.61 -0.80 0.00 -1.18 0.00 0.00 59.36 56.47 2hqa h GLU 123 Cb 1.51 0.23 -0.28 0.00 -0.16 0.00 0.00 28.75 30.05 2hqa h GLU 123 CO -0.06 1.29 0.42 -0.51 -1.18 0.00 0.00 179.01 178.97 2hqa s LEU 124 N -7.33 6.39 0.19 1.64 1.02 -0.41 -4.69 118.68 115.47 2hqa s LEU 124 Ca -0.06 -3.51 0.00 0.00 0.02 0.00 0.00 54.13 50.58 2hqa s LEU 124 Cb 0.06 -2.21 0.00 0.00 0.02 0.00 0.00 46.19 44.06 2hqa s LEU 124 CO 0.90 -0.31 0.00 -3.20 0.02 0.00 0.00 176.35 173.76 2hqa n ASN 125 N 2.82 0.29 -4.73 2.29 5.15 -1.26 -4.48 115.26 115.34 2hqa n ASN 125 Ca 0.23 0.31 -0.42 0.00 -0.60 0.00 0.00 54.58 54.10 2hqa n ASN 125 Cb 0.40 0.10 -0.01 0.00 -0.53 0.00 0.00 39.78 39.74 2hqa n ASN 125 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2hqa n GLU 126 N -3.38 2.41 -0.69 1.20 -0.58 -1.26 -2.54 120.64 115.79 2hqa n GLU 126 Ca 0.00 0.85 0.00 0.00 -0.42 0.00 0.00 57.16 57.59 2hqa n GLU 126 Cb 0.03 -2.53 0.00 0.00 -0.57 0.00 0.00 31.44 28.37 2hqa n GLU 126 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hqa n GLY 127 N 1.23 0.74 3.77 0.62 0.00 -1.26 -3.80 105.19 106.48 2hqa n GLY 127 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2hqa n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hqa s LEU 128 N 0.00 3.82 -0.09 0.99 1.43 -1.05 -0.37 118.68 123.41 2hqa s LEU 128 Ca 0.00 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 2hqa s LEU 128 Cb 0.00 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 2hqa s LEU 128 CO 0.00 0.26 -0.20 -0.63 0.23 0.00 0.00 176.35 176.01 2hqa s ILE 129 N -1.21 2.47 -0.08 -0.59 1.01 -0.14 -4.89 121.20 117.78 2hqa s ILE 129 Ca 0.23 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.99 2hqa s ILE 129 Cb -0.12 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 2hqa s ILE 129 CO 0.15 0.56 -0.06 -0.76 0.00 0.00 0.00 174.94 174.82 2hqa s LEU 130 N 0.07 3.20 -0.09 2.97 1.43 0.24 -0.43 118.68 126.07 2hqa s LEU 130 Ca -0.08 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2hqa s LEU 130 Cb -0.15 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2hqa s LEU 130 CO 0.05 0.35 -0.00 -0.76 0.23 0.00 0.00 176.35 176.22 2hqa s LEU 131 N -0.71 3.55 0.28 1.79 1.43 0.20 -0.77 118.68 124.44 2hqa s LEU 131 Ca 0.11 0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 2hqa s LEU 131 Cb -0.11 -1.81 0.42 0.00 0.03 0.00 0.00 46.19 44.72 2hqa s LEU 131 CO 0.02 0.35 1.90 0.77 0.23 0.00 0.00 176.35 179.62 2hqa h SER 132 N 5.34 1.02 0.00 2.29 4.64 -1.25 -2.36 113.55 123.22 2hqa h SER 132 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2hqa h SER 132 Cb 1.19 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2hqa h SER 132 CO 0.55 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 177.79 2hqa n GLY 133 N -1.38 1.18 7.00 -0.77 0.00 -1.26 -4.30 105.19 105.67 2hqa n GLY 133 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2hqa n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hqa n GLY 134 N -1.17 2.10 1.60 -0.02 0.00 -1.25 -2.48 105.19 103.97 2hqa n GLY 134 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2hqa n GLY 134 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hqa n ARG 135 N 11.65 0.00 -0.81 1.61 1.85 -1.26 -3.83 116.66 125.87 2hqa n ARG 135 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.91 2hqa n ARG 135 Cb 0.00 -1.39 -0.03 0.00 -1.05 0.00 0.00 32.46 29.99 2hqa n ARG 135 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2hqa n GLY 137 N 1.49 -1.06 0.02 2.89 0.00 -1.04 -3.46 105.19 104.04 2hqa n GLY 137 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 46.02 45.69 2hqa n GLY 137 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hqa n ASP 138 N -3.50 -0.04 0.07 1.61 2.03 -1.26 -1.16 116.55 114.29 2hqa n ASP 138 Ca -0.03 0.11 -0.10 0.00 0.52 0.00 0.00 54.79 55.30 2hqa n ASP 138 Cb 0.25 -0.03 -0.13 0.00 -0.72 0.00 0.00 41.12 40.49 2hqa n ASP 138 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2hqa h VAL 139 N 0.00 1.65 -0.21 5.18 2.07 -1.88 -3.28 116.25 119.78 2hqa h VAL 139 Ca 0.01 -3.32 -0.20 0.00 0.82 0.00 0.00 66.70 64.01 2hqa h VAL 139 Cb 0.02 2.87 0.01 0.00 -1.52 0.00 0.00 31.29 32.67 2hqa h VAL 139 CO -0.04 0.95 -0.65 1.23 0.02 0.00 0.00 177.57 179.08 2hqa h GLY 140 N 2.61 0.89 1.15 2.17 0.00 -1.24 -1.60 103.07 107.04 2hqa h GLY 140 Ca -0.05 -1.16 -0.10 0.00 0.00 0.00 0.00 47.33 46.03 2hqa h GLY 140 CO 0.15 1.03 -0.01 3.21 0.00 0.00 0.00 176.54 180.92 2hqa h ARG 141 N 0.56 1.02 -0.07 4.80 2.47 -1.23 -1.83 114.38 120.10 2hqa h ARG 141 Ca -0.02 -0.32 -0.16 0.00 -1.26 0.00 0.00 59.98 58.22 2hqa h ARG 141 Cb 1.27 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.49 2hqa h ARG 141 CO 0.14 1.01 -0.65 0.77 0.56 0.00 0.00 179.97 181.80 2hqa h SER 142 N 0.93 0.30 -0.57 7.04 0.02 -1.60 -1.91 113.55 117.76 2hqa h SER 142 Ca 0.16 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2hqa h SER 142 Cb 0.56 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 2hqa h SER 142 CO 0.03 0.86 0.22 -0.07 -1.14 0.00 0.00 176.83 176.74 2hqa h LEU 143 N 0.19 0.80 -1.45 5.07 3.38 -1.06 -2.76 115.31 119.48 2hqa h LEU 143 Ca -0.01 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2hqa h LEU 143 Cb 1.17 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 2hqa h LEU 143 CO 0.10 0.76 0.38 -0.07 0.09 0.00 0.00 178.44 179.70 2hqa h LEU 144 N 0.79 0.64 0.64 1.67 4.07 -0.86 -2.80 115.31 119.47 2hqa h LEU 144 Ca 0.19 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.10 2hqa h LEU 144 Cb 0.22 -0.16 0.01 0.00 1.08 0.00 0.00 40.66 41.80 2hqa h LEU 144 CO -0.01 0.46 -0.31 0.03 -1.08 0.00 0.00 178.44 177.53 2hqa h ARG 145 N 0.76 -0.83 0.00 1.13 3.08 -1.08 -3.47 114.38 113.96 2hqa h ARG 145 Ca 0.22 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2hqa h ARG 145 Cb -0.05 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2hqa h ARG 145 CO -0.05 -0.53 0.00 0.41 -1.07 0.00 0.00 179.97 178.74 2hqa n GLY 146 N -1.20 1.35 3.44 0.04 0.00 -1.06 -5.06 105.19 102.70 2hqa n GLY 146 Ca -0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 2hqa n GLY 146 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hqa n ASN 147 N 0.00 5.14 -0.26 1.61 2.85 -1.22 -4.88 115.26 118.51 2hqa n ASN 147 Ca 0.00 -2.97 0.03 0.00 -0.11 0.00 0.00 54.58 51.53 2hqa n ASN 147 Cb 0.00 -1.60 0.12 0.00 1.24 0.00 0.00 39.78 39.54 2hqa n ASN 147 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2hqa h SER 148 N 7.11 -0.53 0.12 1.20 0.02 -1.96 -2.10 113.55 117.42 2hqa h SER 148 Ca 0.35 0.21 0.02 0.00 -0.84 0.00 0.00 61.79 61.53 2hqa h SER 148 Cb 0.85 0.41 -0.04 0.00 0.14 0.00 0.00 62.40 63.76 2hqa h SER 148 CO 1.32 -0.22 -0.37 0.00 -1.14 0.00 0.00 176.83 176.42 2hqa h ALA 149 N 1.73 -0.65 -0.35 3.77 0.00 -1.98 -2.28 119.26 119.50 2hqa h ALA 149 Ca 0.39 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.29 2hqa h ALA 149 Cb 0.65 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 2hqa h ALA 149 CO -0.72 -0.93 0.07 1.25 0.00 0.00 0.00 179.25 178.92 2hqa h LEU 150 N -0.61 0.01 -0.85 0.00 5.85 -1.79 0.12 115.31 118.06 2hqa h LEU 150 Ca 0.03 0.06 0.16 0.00 0.84 0.00 0.00 57.88 58.97 2hqa h LEU 150 Cb 0.64 0.08 -0.16 0.00 0.37 0.00 0.00 40.66 41.59 2hqa h LEU 150 CO -0.22 0.04 -0.24 0.58 -0.34 0.00 0.00 178.44 178.27 2hqa h VAL 151 N 0.19 0.14 -0.75 1.05 2.07 -1.31 -1.27 116.25 116.37 2hqa h VAL 151 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2hqa h VAL 151 Cb 0.19 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 2hqa h VAL 151 CO -0.22 0.00 0.49 0.44 0.02 0.00 0.00 177.57 178.30 2hqa h ASP 152 N -0.01 0.87 0.71 0.57 3.32 -0.20 0.19 116.42 121.87 2hqa h ASP 152 Ca 0.39 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.35 2hqa h ASP 152 Cb 0.62 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2hqa h ASP 152 CO -0.87 0.65 -0.26 -0.33 -1.72 0.00 0.00 179.24 176.70 2hqa h GLU 153 N 1.02 0.00 0.23 3.56 5.08 -0.43 0.18 114.58 124.22 2hqa h GLU 153 Ca 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 2hqa h GLU 153 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2hqa h GLU 153 CO -0.06 0.26 -0.11 0.00 -1.00 0.00 0.00 179.01 178.10 2hqa h VAL 155 N -1.02 0.86 -0.65 0.00 2.07 -0.51 0.23 116.25 117.23 2hqa h VAL 155 Ca -0.03 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.28 2hqa h VAL 155 Cb 0.40 -0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.02 2hqa h VAL 155 CO 0.05 0.16 0.31 0.00 0.02 0.00 0.00 177.57 178.11 2hqa h ALA 156 N 1.58 0.87 -0.36 1.67 0.00 -1.10 -0.70 119.26 121.22 2hqa h ALA 156 Ca 0.49 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.49 2hqa h ALA 156 Cb 0.63 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2hqa h ALA 156 CO -0.26 -0.08 0.14 0.35 0.00 0.00 0.00 179.25 179.39 2hqa h PHE 157 N 0.55 0.24 -0.24 0.00 3.57 -0.56 0.19 116.94 120.70 2hqa h PHE 157 Ca 0.31 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.70 2hqa h PHE 157 Cb 0.31 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2hqa h PHE 157 CO -0.12 0.11 -0.41 1.88 -2.23 0.00 0.00 178.31 177.54 2hqa h TYR 158 N 0.29 0.68 -0.86 0.41 -1.99 -1.34 -1.29 116.97 112.87 2hqa h TYR 158 Ca 0.16 -0.20 0.00 0.00 2.00 0.00 0.00 58.73 60.69 2hqa h TYR 158 Cb 0.12 -0.14 -0.04 0.00 2.00 0.00 0.00 36.73 38.66 2hqa h TYR 158 CO -0.13 0.89 0.54 0.93 -0.00 0.00 0.00 178.16 180.39 2hqa h GLU 159 N 0.47 1.15 -0.41 4.88 5.08 -0.55 0.24 114.58 125.45 2hqa h GLU 159 Ca 0.04 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 2hqa h GLU 159 Cb 0.91 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2hqa h GLU 159 CO 0.08 0.79 -0.20 1.49 -1.00 0.00 0.00 179.01 180.17 2hqa h GLU 160 N 1.18 0.86 0.00 2.33 4.81 -0.43 -3.35 114.58 119.97 2hqa h GLU 160 Ca 0.31 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2hqa h GLU 160 Cb -0.09 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 2hqa h GLU 160 CO -0.06 1.02 -1.53 0.72 -0.73 0.00 0.00 179.01 178.42 2hqa n HIS 161 N -4.22 0.00 -2.84 0.92 8.25 -0.50 -4.68 115.22 112.15 2hqa n HIS 161 Ca -0.01 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.26 2hqa n HIS 161 Cb 0.44 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 31.27 2hqa n HIS 161 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2hqa n PHE 162 N -1.92 1.78 -0.30 4.41 3.72 0.84 -4.97 117.46 121.02 2hqa n PHE 162 Ca -0.03 -3.38 0.00 0.00 -0.05 0.00 0.00 57.45 54.00 2hqa n PHE 162 Cb 0.32 -0.36 0.05 0.00 -0.94 0.00 0.00 39.48 38.55 2hqa n PHE 162 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2hqa n PRO 163 N -0.07 -0.16 -2.24 -1.08 -0.02 -1.22 -1.16 135.00 129.06 2hqa n PRO 163 Ca 0.23 1.21 -0.18 0.00 -2.02 0.00 0.00 63.50 62.75 2hqa n PRO 163 Cb 0.67 -1.80 0.03 0.00 -0.02 0.00 0.00 33.50 32.37 2hqa n PRO 163 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2hqa n ASP 164 N -5.18 4.05 -0.25 2.55 -0.08 -1.26 -4.72 116.55 111.65 2hqa n ASP 164 Ca 0.09 -3.30 0.00 0.00 -1.51 0.00 0.00 54.79 50.08 2hqa n ASP 164 Cb 0.33 -0.38 0.00 0.00 2.34 0.00 0.00 41.12 43.41 2hqa n ASP 164 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2hqa n ARG 165 N -0.68 0.04 -3.89 -0.67 1.74 -0.31 -5.02 116.66 107.88 2hqa n ARG 165 Ca 0.34 -0.78 -0.24 0.00 -0.77 0.00 0.00 57.85 56.40 2hqa n ARG 165 Cb 0.92 -0.52 -0.17 0.00 -1.02 0.00 0.00 32.46 31.68 2hqa n ARG 165 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2hqa s TYR 166 N -0.04 1.06 -0.10 -1.55 5.04 -1.19 0.81 117.35 121.38 2hqa s TYR 166 Ca 0.00 -0.43 0.02 0.00 -2.44 0.00 0.00 57.07 54.22 2hqa s TYR 166 Cb 0.00 -0.99 -0.02 0.00 0.35 0.00 0.00 41.96 41.31 2hqa s TYR 166 CO 0.00 -0.40 -0.15 -0.06 -1.34 0.00 0.00 175.55 173.60 2hqa s PHE 167 N 1.73 2.73 -0.52 4.97 0.40 0.05 -4.53 117.98 122.80 2hqa s PHE 167 Ca 0.03 -0.54 -0.28 0.00 -0.60 0.00 0.00 56.93 55.54 2hqa s PHE 167 Cb -0.13 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.65 2hqa s PHE 167 CO -0.06 -0.12 1.56 -0.51 0.70 0.00 0.00 175.22 176.79 2hqa s LEU 168 N 0.01 3.42 -0.01 -0.37 1.43 0.16 -0.74 118.68 122.58 2hqa s LEU 168 Ca -0.05 0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 53.27 2hqa s LEU 168 Cb -0.14 -3.09 -0.05 0.00 0.03 0.00 0.00 46.19 42.94 2hqa s LEU 168 CO 0.04 -1.80 1.28 -0.70 0.23 0.00 0.00 176.35 175.40 2hqa s GLU 169 N 5.75 4.34 -0.02 1.70 2.12 -1.26 -1.36 118.70 129.97 2hqa s GLU 169 Ca 0.61 1.81 0.06 0.00 0.36 0.00 0.00 54.97 57.81 2hqa s GLU 169 Cb -0.13 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 2hqa s GLU 169 CO 0.26 -0.47 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.81 2hqa s LEU 170 N 2.09 2.45 -0.01 2.70 1.43 0.13 -3.79 118.68 123.67 2hqa s LEU 170 Ca 0.60 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 2hqa s LEU 170 Cb -0.28 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.50 2hqa s LEU 170 CO 0.25 0.32 0.02 -0.63 0.23 0.00 0.00 176.35 176.53 2hqa s ILE 171 N -0.73 -0.02 -0.47 -0.59 1.01 -1.26 -1.43 121.20 117.71 2hqa s ILE 171 Ca 0.12 0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.94 2hqa s ILE 171 Cb -0.10 -0.08 0.14 0.00 0.01 0.00 0.00 42.46 42.42 2hqa s ILE 171 CO 0.01 0.07 0.26 -0.13 0.00 0.00 0.00 174.94 175.15 2hqa s ARG 172 N 0.76 1.53 -0.10 2.79 0.52 -1.26 -4.79 118.95 118.39 2hqa s ARG 172 Ca -0.06 -2.25 0.14 0.00 -0.52 0.00 0.00 55.73 53.04 2hqa s ARG 172 Cb -0.09 -2.64 0.28 0.00 0.52 0.00 0.00 34.95 33.02 2hqa s ARG 172 CO -0.02 -1.16 1.14 0.25 0.02 0.00 0.00 175.30 175.53 2hqa n THR 173 N 3.33 1.25 -3.01 0.02 -2.24 -1.26 -4.99 114.28 107.37 2hqa n THR 173 Ca 0.09 -1.82 -0.22 0.00 -2.27 0.00 0.00 64.05 59.83 2hqa n THR 173 Cb 0.34 0.13 0.04 0.00 -2.10 0.00 0.00 70.33 68.73 2hqa n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hqa n GLY 174 N -0.72 -0.48 3.84 3.38 0.00 -1.26 -4.62 105.19 105.33 2hqa n GLY 174 Ca 0.12 0.10 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 2hqa n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hqa s ARG 175 N -5.69 3.02 0.53 1.61 0.52 -1.26 -5.03 118.95 112.65 2hqa s ARG 175 Ca 0.30 -0.91 -0.19 0.00 -0.52 0.00 0.00 55.73 54.41 2hqa s ARG 175 Cb -0.13 -2.67 -0.06 0.00 0.52 0.00 0.00 34.95 32.61 2hqa s ARG 175 CO 0.38 0.45 1.09 -2.14 0.02 0.00 0.00 175.30 175.10 2hqa s PRO 176 N -3.52 3.48 0.00 3.54 0.02 -1.26 -2.78 135.00 134.48 2hqa s PRO 176 Ca 0.32 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.84 2hqa s PRO 176 Cb -0.09 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.39 2hqa s PRO 176 CO 0.25 -0.72 0.00 -0.25 -0.33 0.00 0.00 177.00 175.95 2hqa n ASP 177 N -1.27 0.00 -0.22 2.53 10.43 -1.26 -4.85 116.55 121.90 2hqa n ASP 177 Ca 0.11 0.00 -0.09 0.00 2.57 0.00 0.00 54.79 57.38 2hqa n ASP 177 Cb 0.52 -1.59 0.03 0.00 1.84 0.00 0.00 41.12 41.91 2hqa n ASP 177 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 2hqa h GLU 178 N 0.61 1.10 0.00 -1.24 5.08 -1.88 -1.60 114.58 116.65 2hqa h GLU 178 Ca 0.00 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 57.92 2hqa h GLU 178 Cb 0.00 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2hqa h GLU 178 CO 0.00 1.05 -0.93 1.49 -1.00 0.00 0.00 179.01 179.62 2hqa h GLU 179 N 1.00 0.00 -0.06 2.33 4.57 -1.87 -2.42 114.58 118.14 2hqa h GLU 179 Ca 0.18 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.34 2hqa h GLU 179 Cb 0.54 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 2hqa h GLU 179 CO 0.03 0.29 -0.03 0.77 -1.18 0.00 0.00 179.01 178.88 2hqa h SER 180 N 0.00 0.12 0.36 1.04 0.02 -1.96 -2.75 113.55 110.39 2hqa h SER 180 Ca -0.07 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.45 2hqa h SER 180 Cb 1.37 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.86 2hqa h SER 180 CO 0.04 0.52 -0.42 0.22 -1.14 0.00 0.00 176.83 176.05 2hqa h TYR 181 N -0.27 -1.18 -0.87 3.45 3.20 -1.28 -0.88 116.97 119.14 2hqa h TYR 181 Ca 0.01 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.03 2hqa h TYR 181 Cb 0.47 0.47 -0.14 0.00 1.54 0.00 0.00 36.73 39.07 2hqa h TYR 181 CO 0.07 -0.54 -0.40 1.25 -1.64 0.00 0.00 178.16 176.90 2hqa h LEU 182 N -0.80 -1.45 -1.34 2.82 6.46 -1.56 0.69 115.31 120.13 2hqa h LEU 182 Ca -0.04 0.29 0.05 0.00 -0.12 0.00 0.00 57.88 58.06 2hqa h LEU 182 Cb 0.71 0.73 -0.04 0.00 -0.73 0.00 0.00 40.66 41.32 2hqa h LEU 182 CO -0.08 -0.29 0.48 -0.74 -0.62 0.00 0.00 178.44 177.19 2hqa h HIS 183 N -0.06 0.81 -0.05 1.25 2.76 -1.12 0.22 115.15 118.97 2hqa h HIS 183 Ca 0.29 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.42 2hqa h HIS 183 Cb 0.57 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.26 2hqa h HIS 183 CO -0.82 0.45 -0.21 0.00 -1.30 0.00 0.00 177.93 176.05 2hqa h ALA 184 N 1.59 0.09 -0.83 5.26 0.00 0.77 -3.01 119.26 123.13 2hqa h ALA 184 Ca 0.31 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2hqa h ALA 184 Cb 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2hqa h ALA 184 CO -0.10 0.07 0.54 0.00 0.00 0.00 0.00 179.25 179.76 2hqa h ALA 185 N 0.41 1.55 -0.41 0.00 0.00 0.15 0.47 119.26 121.43 2hqa h ALA 185 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2hqa h ALA 185 Cb 0.85 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2hqa h ALA 185 CO 0.04 0.34 0.20 0.28 0.00 0.00 0.00 179.25 180.11 2hqa h VAL 186 N 0.95 1.17 -0.57 0.00 2.07 -0.69 0.19 116.25 119.38 2hqa h VAL 186 Ca 0.35 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 2hqa h VAL 186 Cb 0.15 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2hqa h VAL 186 CO -0.12 0.18 0.09 -0.33 0.02 0.00 0.00 177.57 177.41 2hqa h GLU 187 N 0.52 0.91 0.65 1.57 5.08 -0.90 -0.80 114.58 121.60 2hqa h GLU 187 Ca 0.14 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2hqa h GLU 187 Cb 0.10 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.24 2hqa h GLU 187 CO -0.02 0.85 -0.31 1.25 -1.00 0.00 0.00 179.01 179.78 2hqa h LEU 188 N 0.86 -0.74 -0.16 1.33 6.46 0.65 -1.35 115.31 122.37 2hqa h LEU 188 Ca 0.18 -0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.98 2hqa h LEU 188 Cb 0.38 0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 40.44 2hqa h LEU 188 CO 0.01 -0.46 -0.42 0.00 -0.62 0.00 0.00 178.44 176.95 2hqa h ALA 189 N -0.68 -0.57 -0.62 1.25 0.00 -0.58 0.66 119.26 118.73 2hqa h ALA 189 Ca -0.09 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.92 2hqa h ALA 189 Cb 0.70 0.79 -0.11 0.00 0.00 0.00 0.00 17.79 19.16 2hqa h ALA 189 CO 0.15 -0.92 -0.37 1.49 0.00 0.00 0.00 179.25 179.60 2hqa h GLU 190 N -0.47 -0.17 0.23 0.00 4.57 -1.14 1.22 114.58 118.82 2hqa h GLU 190 Ca 0.08 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2hqa h GLU 190 Cb 0.62 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2hqa h GLU 190 CO -0.41 -0.11 -0.11 0.00 -1.18 0.00 0.00 179.01 177.20 2hqa h ALA 191 N 0.90 -0.31 -0.00 2.92 0.00 -0.35 -3.24 119.26 119.18 2hqa h ALA 191 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2hqa h ALA 191 Cb 0.56 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2hqa h ALA 191 CO -0.71 -0.47 -0.03 0.54 0.00 0.00 0.00 179.25 178.59 2hqa n ARG 192 N -5.05 0.50 -3.23 0.00 5.12 0.22 -4.94 116.66 109.28 2hqa n ARG 192 Ca -0.09 -0.05 -0.15 0.00 -1.93 0.00 0.00 57.85 55.63 2hqa n ARG 192 Cb 0.25 -1.50 0.07 0.00 -1.16 0.00 0.00 32.46 30.13 2hqa n ARG 192 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hqa n GLY 193 N 1.28 -0.81 3.57 -0.13 0.00 0.42 -5.01 105.19 104.50 2hqa n GLY 193 Ca 0.15 0.38 -0.24 0.00 0.00 0.00 0.00 46.02 46.31 2hqa n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hqa s LEU 194 N -5.57 2.93 0.20 0.99 1.43 -0.81 -5.03 118.68 112.81 2hqa s LEU 194 Ca 0.28 -0.80 -0.09 0.00 -1.03 0.00 0.00 54.13 52.49 2hqa s LEU 194 Cb -0.04 -1.45 -0.07 0.00 0.03 0.00 0.00 46.19 44.66 2hqa s LEU 194 CO 0.70 0.02 0.50 -2.16 0.23 0.00 0.00 176.35 175.64 2hqa s PRO 195 N -3.56 3.76 0.24 1.29 0.04 -1.26 -4.54 135.00 130.98 2hqa s PRO 195 Ca 0.30 0.19 0.06 0.00 0.04 0.00 0.00 61.00 61.59 2hqa s PRO 195 Cb -0.06 -2.73 -0.03 0.00 0.04 0.00 0.00 34.50 31.72 2hqa s PRO 195 CO 0.18 0.37 0.28 0.14 0.04 0.00 0.00 177.00 178.01 2hqa s VAL 196 N -1.74 4.89 -0.09 -0.36 -7.23 -1.26 -0.66 120.40 113.95 2hqa s VAL 196 Ca 0.45 -1.16 -0.08 0.00 -1.81 0.00 0.00 61.98 59.38 2hqa s VAL 196 Cb -0.12 -3.65 0.03 0.00 0.56 0.00 0.00 36.38 33.20 2hqa s VAL 196 CO 0.22 -0.32 0.24 0.54 -0.31 0.00 0.00 175.10 175.46 2hqa s VAL 197 N -2.03 -0.01 0.13 1.32 0.11 -0.46 -4.20 120.40 115.26 2hqa s VAL 197 Ca 0.33 0.02 -0.22 0.00 -2.93 0.00 0.00 61.98 59.19 2hqa s VAL 197 Cb -0.09 -0.34 -0.07 0.00 -1.53 0.00 0.00 36.38 34.35 2hqa s VAL 197 CO 0.27 0.01 0.67 0.00 -3.33 0.00 0.00 175.10 172.72 2hqa s ALA 198 N 0.31 3.51 0.04 1.54 0.00 -0.38 0.18 121.76 126.97 2hqa s ALA 198 Ca -0.02 0.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 2hqa s ALA 198 Cb -0.03 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 2hqa s ALA 198 CO -0.01 0.35 -0.01 0.99 0.00 0.00 0.00 175.76 177.08 2hqa s THR 199 N -1.18 0.18 -0.74 0.00 2.01 -0.51 -4.80 115.64 110.58 2hqa s THR 199 Ca 0.34 -1.44 0.07 0.00 0.31 0.00 0.00 61.69 60.97 2hqa s THR 199 Cb -0.21 -1.06 0.17 0.00 0.01 0.00 0.00 72.50 71.41 2hqa s THR 199 CO 0.22 -0.80 1.05 -3.20 -0.69 0.00 0.00 174.62 171.20 2hqa n ASN 200 N 0.63 2.34 -3.93 3.53 5.15 -1.26 -4.31 115.26 117.42 2hqa n ASN 200 Ca -0.18 -1.79 -0.32 0.00 -0.60 0.00 0.00 54.58 51.70 2hqa n ASN 200 Cb 0.59 -0.11 -0.00 0.00 -0.53 0.00 0.00 39.78 39.73 2hqa n ASN 200 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2hqa n ASP 201 N 0.27 -2.40 -4.76 1.20 2.03 -1.25 -4.66 116.55 106.99 2hqa n ASP 201 Ca 0.07 -1.09 -0.40 0.00 0.52 0.00 0.00 54.79 53.89 2hqa n ASP 201 Cb 0.32 -2.77 -0.04 0.00 -0.72 0.00 0.00 41.12 37.90 2hqa n ASP 201 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2hqa s VAL 202 N -3.78 3.42 0.00 5.18 1.01 -0.70 -4.82 120.40 120.72 2hqa s VAL 202 Ca 0.24 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.63 2hqa s VAL 202 Cb -0.10 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2hqa s VAL 202 CO 0.91 0.33 0.00 0.54 0.00 0.00 0.00 175.10 176.88 2hqa n ARG 203 N 1.23 2.81 -3.59 2.72 5.12 0.63 -1.77 116.66 123.81 2hqa n ARG 203 Ca -0.01 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.79 2hqa n ARG 203 Cb 0.44 -0.70 -0.05 0.00 -1.16 0.00 0.00 32.46 31.00 2hqa n ARG 203 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 2hqa s PHE 204 N -1.22 -0.34 0.01 -1.55 -0.71 -1.15 -3.21 117.98 109.81 2hqa s PHE 204 Ca 0.00 0.22 -0.25 0.00 -1.04 0.00 0.00 56.93 55.86 2hqa s PHE 204 Cb 0.00 0.32 -0.15 0.00 -1.21 0.00 0.00 43.02 41.99 2hqa s PHE 204 CO 0.00 -0.68 1.11 0.82 -1.34 0.00 0.00 175.22 175.13 2hqa h ILE 205 N 2.58 0.17 -3.55 -4.49 2.04 -1.94 -3.36 117.51 108.96 2hqa h ILE 205 Ca -0.32 -0.39 -0.68 0.00 1.00 0.00 0.00 64.86 64.47 2hqa h ILE 205 Cb 1.24 0.25 -0.18 0.00 -0.74 0.00 0.00 36.82 37.39 2hqa h ILE 205 CO 0.43 0.03 -0.67 -1.81 0.00 0.00 0.00 178.15 176.12 2hqa s ASP 206 N -4.64 4.82 0.25 1.72 1.01 -1.26 -4.69 116.67 113.88 2hqa s ASP 206 Ca -0.14 0.02 -0.13 0.00 0.71 0.00 0.00 52.55 53.02 2hqa s ASP 206 Cb 0.02 -1.29 0.33 0.00 1.01 0.00 0.00 42.92 42.99 2hqa s ASP 206 CO 0.44 0.36 1.51 -0.24 0.21 0.00 0.00 175.17 177.45 2hqa n SER 207 N 2.27 -0.50 0.14 0.27 2.88 -1.26 0.51 113.62 117.92 2hqa n SER 207 Ca -0.18 1.68 0.08 0.00 -1.33 0.00 0.00 58.87 59.12 2hqa n SER 207 Cb 0.53 -0.44 0.40 0.00 -0.75 0.00 0.00 64.21 63.95 2hqa n SER 207 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2hqa n SER 208 N -5.50 0.38 0.00 -3.46 3.41 -1.26 -0.45 113.62 106.74 2hqa n SER 208 Ca 0.12 0.62 0.14 0.00 -0.26 0.00 0.00 58.87 59.50 2hqa n SER 208 Cb 0.43 -0.63 0.78 0.00 -0.26 0.00 0.00 64.21 64.53 2hqa n SER 208 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2hqa n ASP 209 N -2.04 0.00 -0.02 4.04 10.43 0.18 -4.26 116.55 124.89 2hqa n ASP 209 Ca -0.01 -0.53 -0.11 0.00 2.57 0.00 0.00 54.79 56.71 2hqa n ASP 209 Cb 0.16 -0.13 -0.07 0.00 1.84 0.00 0.00 41.12 42.92 2hqa n ASP 209 CO 0.00 0.00 0.00 0.15 -1.07 0.00 0.00 177.20 176.28 2hqa h PHE 210 N 0.00 -1.18 -1.00 1.24 3.57 -0.89 -1.19 116.94 117.49 2hqa h PHE 210 Ca 0.00 0.05 0.20 0.00 3.53 0.00 0.00 57.97 61.75 2hqa h PHE 210 Cb 0.12 0.53 -0.11 0.00 2.79 0.00 0.00 35.95 39.28 2hqa h PHE 210 CO 0.00 -0.39 0.61 -0.44 -2.23 0.00 0.00 178.31 175.87 2hqa h ASP 211 N -0.40 0.73 -0.49 0.41 3.32 -1.84 0.21 116.42 118.36 2hqa h ASP 211 Ca 0.03 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 2hqa h ASP 211 Cb 0.48 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 2hqa h ASP 211 CO -0.34 0.23 0.13 0.00 -1.72 0.00 0.00 179.24 177.55 2hqa h ALA 212 N 1.66 1.20 -0.11 3.45 0.00 -1.52 -1.63 119.26 122.31 2hqa h ALA 212 Ca 0.58 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 55.14 2hqa h ALA 212 Cb 1.00 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.58 2hqa h ALA 212 CO -0.38 0.55 -0.52 1.25 0.00 0.00 0.00 179.25 180.15 2hqa h HIS 213 N 0.81 0.73 -0.56 0.00 -0.00 0.42 0.00 115.15 116.56 2hqa h HIS 213 Ca 0.18 -0.32 0.11 0.00 -0.00 0.00 0.00 60.37 60.34 2hqa h HIS 213 Cb 0.30 -0.11 -0.10 0.00 -0.00 0.00 0.00 27.41 27.49 2hqa h HIS 213 CO 0.02 1.10 -0.09 0.93 -0.00 0.00 0.00 177.93 179.89 2hqa h GLU 214 N 0.16 0.04 -0.56 5.26 4.39 -0.77 0.27 114.58 123.36 2hqa h GLU 214 Ca -0.03 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2hqa h GLU 214 Cb 1.16 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.78 2hqa h GLU 214 CO 0.11 0.02 0.24 0.82 -1.16 0.00 0.00 179.01 179.04 2hqa h ILE 215 N 0.04 1.22 -0.94 3.13 2.04 -1.02 -0.84 117.51 121.13 2hqa h ILE 215 Ca 0.28 -0.67 0.10 0.00 1.00 0.00 0.00 64.86 65.56 2hqa h ILE 215 Cb 0.43 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 37.04 2hqa h ILE 215 CO -0.54 0.26 0.58 -0.09 0.00 0.00 0.00 178.15 178.37 2hqa h ARG 216 N 0.77 0.95 -0.31 2.37 1.12 0.10 -1.54 114.38 117.84 2hqa h ARG 216 Ca 0.19 -0.06 -0.18 0.00 -1.11 0.00 0.00 59.98 58.82 2hqa h ARG 216 Cb 0.18 -0.21 -0.00 0.00 -0.01 0.00 0.00 29.97 29.93 2hqa h ARG 216 CO -0.02 0.63 -0.51 0.28 -3.11 0.00 0.00 179.97 177.24 2hqa h VAL 217 N 0.98 1.27 -0.15 0.20 2.07 0.40 -2.69 116.25 118.33 2hqa h VAL 217 Ca 0.45 -1.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.24 2hqa h VAL 217 Cb 0.36 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2hqa h VAL 217 CO -0.23 0.55 -0.07 0.00 0.02 0.00 0.00 177.57 177.84 2hqa h ALA 218 N 0.72 1.61 -0.14 1.67 0.00 -0.55 0.54 119.26 123.12 2hqa h ALA 218 Ca 0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2hqa h ALA 218 Cb 1.11 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2hqa h ALA 218 CO 0.12 0.29 -0.17 0.82 0.00 0.00 0.00 179.25 180.30 2hqa h ILE 219 N 0.22 1.36 -0.13 0.00 2.04 -1.15 0.20 117.51 120.05 2hqa h ILE 219 Ca 0.05 -1.36 0.01 0.00 1.00 0.00 0.00 64.86 64.55 2hqa h ILE 219 Cb 0.27 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2hqa h ILE 219 CO 0.01 0.40 0.06 -0.74 0.00 0.00 0.00 178.15 177.89 2hqa h HIS 220 N -0.04 0.12 0.00 1.37 2.76 -1.04 -3.10 115.15 115.22 2hqa h HIS 220 Ca 0.02 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2hqa h HIS 220 Cb 0.71 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.64 2hqa h HIS 220 CO 0.09 0.07 0.00 -0.25 -1.30 0.00 0.00 177.93 176.54 2hqa n ASP 221 N -5.03 0.22 -0.39 3.26 8.00 0.18 -4.91 116.55 117.89 2hqa n ASP 221 Ca -0.04 0.54 -0.04 0.00 0.71 0.00 0.00 54.79 55.95 2hqa n ASP 221 Cb 0.04 -0.59 -0.01 0.00 -0.02 0.00 0.00 41.12 40.54 2hqa n ASP 221 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hqa n GLY 222 N 0.70 0.41 3.74 0.44 0.00 0.65 -5.04 105.19 106.09 2hqa n GLY 222 Ca 0.05 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 2hqa n GLY 222 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hqa s PHE 223 N -2.18 2.85 0.22 1.61 0.40 -0.84 -5.04 117.98 115.00 2hqa s PHE 223 Ca 0.00 -0.22 -0.20 0.00 -0.60 0.00 0.00 56.93 55.91 2hqa s PHE 223 Cb 0.00 -1.40 -0.08 0.00 0.51 0.00 0.00 43.02 42.05 2hqa s PHE 223 CO 0.00 0.50 0.73 0.99 0.70 0.00 0.00 175.22 178.13 2hqa s THR 224 N -2.28 4.56 0.27 0.64 2.01 -1.26 -4.60 115.64 114.98 2hqa s THR 224 Ca 0.34 1.31 -0.01 0.00 0.31 0.00 0.00 61.69 63.63 2hqa s THR 224 Cb -0.06 -3.87 0.30 0.00 0.01 0.00 0.00 72.50 68.88 2hqa s THR 224 CO 0.23 0.22 1.64 0.25 -0.69 0.00 0.00 174.62 176.27 2hqa h LEU 225 N 3.46 -0.15 -3.25 4.42 7.12 -1.57 -2.07 115.31 123.27 2hqa h LEU 225 Ca -0.48 0.20 0.00 0.00 0.13 0.00 0.00 57.88 57.73 2hqa h LEU 225 Cb 1.19 0.30 0.00 0.00 -0.53 0.00 0.00 40.66 41.63 2hqa h LEU 225 CO 0.65 -0.17 0.00 -0.90 -0.13 0.00 0.00 178.44 177.89 2hqa n ASP 226 N -5.28 4.35 -4.68 1.25 3.85 -1.26 -4.89 116.55 109.89 2hqa n ASP 226 Ca 0.19 -2.72 -0.42 0.00 -0.71 0.00 0.00 54.79 51.12 2hqa n ASP 226 Cb 0.61 -0.54 -0.03 0.00 -1.35 0.00 0.00 41.12 39.81 2hqa n ASP 226 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2hqa s ASP 227 N -1.32 6.91 0.51 -1.12 -1.08 -0.78 -4.90 116.67 114.89 2hqa s ASP 227 Ca 0.44 1.96 0.34 0.00 -0.52 0.00 0.00 52.55 54.77 2hqa s ASP 227 Cb 0.32 -2.55 1.86 0.00 -1.46 0.00 0.00 42.92 41.09 2hqa s ASP 227 CO 0.15 -0.71 2.05 -0.65 0.52 0.00 0.00 175.17 176.53 2hqa h PRO 228 N 7.95 0.00 -0.00 4.34 0.11 -1.90 -1.35 132.00 141.15 2hqa h PRO 228 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2hqa h PRO 228 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2hqa h PRO 228 CO 0.91 0.00 -0.52 1.63 -0.21 0.00 0.00 178.00 179.82 2hqa n LYS 229 N -2.70 0.14 -1.70 1.05 5.02 -1.26 -4.91 118.16 113.81 2hqa n LYS 229 Ca -0.02 -0.09 -0.43 0.00 -2.02 0.00 0.00 58.31 55.75 2hqa n LYS 229 Cb 0.06 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 2hqa n LYS 229 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2hqa n ARG 230 N -1.35 2.66 -1.93 1.97 0.63 -0.51 -4.94 116.66 113.20 2hqa n ARG 230 Ca 0.06 0.96 -0.42 0.00 -0.92 0.00 0.00 57.85 57.54 2hqa n ARG 230 Cb 0.34 -2.82 -0.03 0.00 0.45 0.00 0.00 32.46 30.40 2hqa n ARG 230 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2hqa s PRO 231 N 2.05 4.21 -0.59 -0.14 0.02 -1.26 -4.97 135.00 134.32 2hqa s PRO 231 Ca 0.80 2.37 0.04 0.00 0.02 0.00 0.00 61.00 64.23 2hqa s PRO 231 Cb -0.53 -3.15 0.15 0.00 0.02 0.00 0.00 34.50 30.99 2hqa s PRO 231 CO 0.37 -0.61 0.37 1.03 -0.33 0.00 0.00 177.00 177.83 2hqa s ARG 232 N 1.08 2.10 -0.01 5.54 0.52 -1.26 -4.94 118.95 121.99 2hqa s ARG 232 Ca 0.70 -2.89 0.17 0.00 -0.52 0.00 0.00 55.73 53.19 2hqa s ARG 232 Cb -0.44 -3.22 0.49 0.00 0.52 0.00 0.00 34.95 32.30 2hqa s ARG 232 CO 0.32 -1.20 1.41 0.09 0.02 0.00 0.00 175.30 175.93 2hqa n ASN 233 N 2.61 3.50 -4.40 0.23 3.02 -1.26 -4.98 115.26 113.98 2hqa n ASN 233 Ca 0.13 -2.04 -0.21 0.00 -0.03 0.00 0.00 54.58 52.43 2hqa n ASN 233 Cb 0.34 -0.37 -0.10 0.00 -0.61 0.00 0.00 39.78 39.04 2hqa n ASN 233 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2hqa s TYR 234 N -1.07 1.99 0.06 3.10 1.51 -1.26 -5.14 117.35 116.54 2hqa s TYR 234 Ca 0.37 -0.45 0.05 0.00 -1.01 0.00 0.00 57.07 56.02 2hqa s TYR 234 Cb 0.20 -0.90 -0.03 0.00 -0.11 0.00 0.00 41.96 41.12 2hqa s TYR 234 CO 0.24 0.52 -0.13 0.45 -1.11 0.00 0.00 175.55 175.52 2hqa s SER 235 N -3.35 1.55 0.53 2.29 0.15 -1.26 -5.00 113.70 108.61 2hqa s SER 235 Ca 0.25 -0.59 0.29 0.00 0.70 0.00 0.00 55.95 56.60 2hqa s SER 235 Cb -0.03 -0.04 1.56 0.00 -1.71 0.00 0.00 66.02 65.80 2hqa s SER 235 CO 0.11 -0.09 1.86 -0.65 1.20 0.00 0.00 173.24 175.67 2hqa h PRO 236 N 4.38 0.00 0.00 5.44 0.11 -1.90 -1.78 132.00 138.24 2hqa h PRO 236 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2hqa h PRO 236 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2hqa h PRO 236 CO 0.40 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.23 2hqa n GLN 237 N -2.64 0.23 -0.83 1.05 6.02 -1.26 -4.24 117.38 115.70 2hqa n GLN 237 Ca -0.02 0.30 -0.08 0.00 -0.01 0.00 0.00 57.00 57.19 2hqa n GLN 237 Cb 0.22 -1.83 -0.11 0.00 1.02 0.00 0.00 30.24 29.54 2hqa n GLN 237 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2hqa n GLN 238 N -2.24 1.67 0.00 -1.09 6.02 -0.67 -4.87 117.38 116.20 2hqa n GLN 238 Ca 0.04 -0.67 0.00 0.00 -0.01 0.00 0.00 57.00 56.36 2hqa n GLN 238 Cb 0.34 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 29.93 2hqa n GLN 238 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 2hqa n TYR 239 N 2.18 0.00 -3.62 1.08 4.11 -1.26 -0.27 117.16 119.38 2hqa n TYR 239 Ca 0.29 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 58.13 2hqa n TYR 239 Cb 0.78 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 40.07 2hqa n TYR 239 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2hqa s ARG 241 N 0.00 0.27 0.84 -3.48 0.52 -1.26 -4.82 118.95 111.02 2hqa s ARG 241 Ca 0.00 0.07 -0.12 0.00 -0.52 0.00 0.00 55.73 55.16 2hqa s ARG 241 Cb 0.00 0.13 0.10 0.00 0.52 0.00 0.00 34.95 35.70 2hqa s ARG 241 CO 0.00 -0.08 1.11 -1.54 0.02 0.00 0.00 175.30 174.81 2hqa s SER 242 N -1.05 4.07 0.09 0.23 1.04 -1.26 -4.95 113.70 111.88 2hqa s SER 242 Ca 0.05 1.20 -0.33 0.00 0.48 0.00 0.00 55.95 57.34 2hqa s SER 242 Cb -0.01 -1.88 -0.15 0.00 0.10 0.00 0.00 66.02 64.09 2hqa s SER 242 CO -0.04 -2.22 1.59 -0.33 0.98 0.00 0.00 173.24 173.21 2hqa h GLU 243 N -1.27 -0.82 -0.75 4.02 5.08 -1.89 -2.85 114.58 116.10 2hqa h GLU 243 Ca -0.48 0.06 0.17 0.00 -1.00 0.00 0.00 59.36 58.10 2hqa h GLU 243 Cb 1.29 0.19 -0.12 0.00 0.50 0.00 0.00 28.75 30.61 2hqa h GLU 243 CO 0.60 -0.55 0.11 0.93 -1.00 0.00 0.00 179.01 179.10 2hqa h GLU 244 N -0.85 0.18 -0.17 2.33 4.39 -1.96 -1.57 114.58 116.92 2hqa h GLU 244 Ca -0.04 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2hqa h GLU 244 Cb 0.76 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2hqa h GLU 244 CO -0.08 0.12 0.00 0.39 -1.16 0.00 0.00 179.01 178.28 2hqa n GLU 245 N -5.25 0.00 0.00 2.33 1.02 -1.08 -2.28 120.64 115.39 2hqa n GLU 245 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 2hqa n GLU 245 Cb 0.49 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 2hqa n GLU 245 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hqa h GLU 248 N 0.00 1.00 -0.24 0.00 5.08 -1.72 -2.09 114.58 116.61 2hqa h GLU 248 Ca 0.00 -0.43 -0.08 0.00 -1.00 0.00 0.00 59.36 57.86 2hqa h GLU 248 Cb 0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2hqa h GLU 248 CO 0.00 1.11 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.86 2hqa h LEU 249 N 0.86 0.41 -3.17 1.33 3.38 -1.68 -3.23 115.31 113.21 2hqa h LEU 249 Ca 0.11 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2hqa h LEU 249 Cb 0.79 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 2hqa h LEU 249 CO 0.07 0.61 -0.39 0.49 0.09 0.00 0.00 178.44 179.31 2hqa n PHE 250 N -4.18 0.54 -0.01 1.13 3.01 -1.23 -4.78 117.46 111.94 2hqa n PHE 250 Ca -0.00 -1.60 0.14 0.00 1.01 0.00 0.00 57.45 56.99 2hqa n PHE 250 Cb 0.35 -0.34 0.57 0.00 -0.01 0.00 0.00 39.48 40.05 2hqa n PHE 250 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hqa h ALA 251 N 1.10 2.15 0.00 4.37 0.00 -1.40 0.04 119.26 125.52 2hqa h ALA 251 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2hqa h ALA 251 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2hqa h ALA 251 CO 0.18 -0.27 0.00 0.38 0.00 0.00 0.00 179.25 179.54 2hqa h ASP 252 N 0.24 0.00 -2.12 0.00 -0.00 -1.87 -3.35 116.42 109.32 2hqa h ASP 252 Ca 0.23 0.00 -0.57 0.00 -0.00 0.00 0.00 57.03 56.69 2hqa h ASP 252 Cb 0.60 0.00 -0.40 0.00 -0.00 0.00 0.00 39.33 39.53 2hqa h ASP 252 CO -0.04 0.00 -0.96 -0.38 -0.00 0.00 0.00 179.24 177.86 2hqa n ILE 253 N -2.72 0.04 0.32 4.15 5.41 -0.00 -4.97 119.36 121.59 2hqa n ILE 253 Ca 0.02 -4.26 0.19 0.00 1.00 0.00 0.00 62.75 59.70 2hqa n ILE 253 Cb 0.33 -1.97 0.99 0.00 -0.71 0.00 0.00 39.64 38.28 2hqa n ILE 253 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2hqa h PRO 254 N 4.26 0.00 -0.07 0.38 0.11 -1.69 -0.54 132.00 134.45 2hqa h PRO 254 Ca 0.12 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.15 2hqa h PRO 254 Cb 0.83 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 2hqa h PRO 254 CO 0.55 0.00 -0.32 1.49 -0.21 0.00 0.00 178.00 179.51 2hqa h GLU 255 N 0.00 0.13 -0.20 1.05 4.81 -1.93 -0.11 114.58 118.33 2hqa h GLU 255 Ca 0.01 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 2hqa h GLU 255 Cb 0.38 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2hqa h GLU 255 CO -0.00 0.44 -0.16 0.00 -0.73 0.00 0.00 179.01 178.56 2hqa h ALA 256 N 1.56 1.35 0.06 2.92 0.00 -1.26 -1.74 119.26 122.15 2hqa h ALA 256 Ca 0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2hqa h ALA 256 Cb 0.62 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2hqa h ALA 256 CO 0.05 0.44 -0.03 -0.07 0.00 0.00 0.00 179.25 179.64 2hqa h LEU 257 N 0.32 -0.07 -1.72 0.00 3.38 -1.45 -0.98 115.31 114.78 2hqa h LEU 257 Ca 0.06 -0.39 0.25 0.00 0.09 0.00 0.00 57.88 57.89 2hqa h LEU 257 Cb 0.48 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 2hqa h LEU 257 CO 0.03 0.60 0.65 0.00 0.09 0.00 0.00 178.44 179.81 2hqa h ALA 258 N -0.54 2.55 -0.16 1.53 0.00 -1.06 -1.00 119.26 120.59 2hqa h ALA 258 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2hqa h ALA 258 Cb 0.45 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2hqa h ALA 258 CO 0.01 -0.85 -0.62 -0.91 0.00 0.00 0.00 179.25 176.88 2hqa h ASN 259 N 0.20 0.64 -0.44 0.00 2.35 -1.39 -0.44 115.58 116.50 2hqa h ASN 259 Ca 0.48 -0.37 0.04 0.00 -0.55 0.00 0.00 56.30 55.91 2hqa h ASN 259 Cb 1.55 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 39.68 2hqa h ASN 259 CO -0.12 1.10 -0.26 0.41 -1.65 0.00 0.00 177.43 176.92 2hqa n THR 260 N -3.93 -0.30 -0.06 2.81 -1.04 -0.39 -0.53 114.28 110.84 2hqa n THR 260 Ca -0.04 1.45 -0.06 0.00 -2.04 0.00 0.00 64.05 63.36 2hqa n THR 260 Cb 0.65 -1.84 0.12 0.00 -1.82 0.00 0.00 70.33 67.44 2hqa n THR 260 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2hqa h VAL 261 N 0.00 1.27 -0.53 12.58 2.07 -1.15 -1.36 116.25 129.13 2hqa h VAL 261 Ca 0.07 -1.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.26 2hqa h VAL 261 Cb 0.18 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2hqa h VAL 261 CO -0.41 0.43 0.22 -0.08 0.02 0.00 0.00 177.57 177.75 2hqa h GLU 262 N 0.61 0.78 -0.35 1.57 4.81 -0.83 -2.05 114.58 119.12 2hqa h GLU 262 Ca 0.09 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 2hqa h GLU 262 Cb 0.70 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2hqa h GLU 262 CO 0.05 0.68 0.00 0.82 -0.73 0.00 0.00 179.01 179.83 2hqa h ILE 263 N 0.71 1.26 -1.00 2.32 2.04 -0.33 -2.01 117.51 120.50 2hqa h ILE 263 Ca 0.18 -0.97 0.07 0.00 1.00 0.00 0.00 64.86 65.14 2hqa h ILE 263 Cb 0.18 1.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.38 2hqa h ILE 263 CO -0.02 0.32 0.65 0.00 0.00 0.00 0.00 178.15 179.10 2hqa h ALA 264 N 0.87 1.42 -0.35 1.87 0.00 -1.17 -1.04 119.26 120.86 2hqa h ALA 264 Ca 0.10 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2hqa h ALA 264 Cb 0.45 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2hqa h ALA 264 CO 0.02 0.42 -0.30 0.87 0.00 0.00 0.00 179.25 180.25 2hqa h LYS 265 N 1.15 0.74 0.00 0.00 1.57 -1.10 -2.67 116.57 116.27 2hqa h LYS 265 Ca 0.44 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2hqa h LYS 265 Cb 0.21 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2hqa h LYS 265 CO -0.18 0.95 0.00 0.00 -0.57 0.00 0.00 179.45 179.64 2hqa h ARG 266 N 0.63 0.00 -4.72 3.15 3.08 -0.47 -3.42 114.38 112.63 2hqa h ARG 266 Ca 0.07 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.45 2hqa h ARG 266 Cb 0.82 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.68 2hqa h ARG 266 CO 0.07 0.00 -0.49 0.00 -1.07 0.00 0.00 179.97 178.48 2hqa s ASN 268 N 1.70 1.15 -0.11 0.00 0.01 0.86 -4.93 114.94 113.62 2hqa s ASN 268 Ca 0.06 -0.56 0.01 0.00 -0.71 0.00 0.00 52.86 51.65 2hqa s ASN 268 Cb -0.17 0.74 -0.02 0.00 0.41 0.00 0.00 41.25 42.21 2hqa s ASN 268 CO 0.10 -0.37 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.50 2hqa s VAL 269 N 2.43 3.09 -0.18 1.60 1.01 -1.26 -4.25 120.40 122.84 2hqa s VAL 269 Ca 0.10 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 2hqa s VAL 269 Cb -0.13 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2hqa s VAL 269 CO -0.30 0.54 0.42 -0.89 0.00 0.00 0.00 175.10 174.87 2hqa s THR 270 N 0.08 5.19 -0.36 3.92 2.01 -1.26 -5.02 115.64 120.20 2hqa s THR 270 Ca -0.05 0.78 0.02 0.00 0.31 0.00 0.00 61.69 62.75 2hqa s THR 270 Cb -0.15 -3.76 0.11 0.00 0.01 0.00 0.00 72.50 68.72 2hqa s THR 270 CO 0.04 0.26 0.11 -0.69 -0.69 0.00 0.00 174.62 173.65 2hqa s VAL 271 N 1.19 1.68 0.21 3.82 1.01 -1.26 -4.98 120.40 122.07 2hqa s VAL 271 Ca 0.21 -2.11 -0.30 0.00 0.00 0.00 0.00 61.98 59.77 2hqa s VAL 271 Cb -0.15 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.91 2hqa s VAL 271 CO 0.08 -0.68 1.26 -0.60 0.00 0.00 0.00 175.10 175.16 2hqa s ARG 272 N 0.99 4.44 -0.00 2.72 3.00 -1.26 -5.02 118.95 123.81 2hqa s ARG 272 Ca 0.12 1.99 0.01 0.00 -1.00 0.00 0.00 55.73 56.85 2hqa s ARG 272 Cb -0.20 -3.20 -0.00 0.00 0.00 0.00 0.00 34.95 31.55 2hqa s ARG 272 CO -0.13 -0.17 -0.05 -0.51 0.00 0.00 0.00 175.30 174.45 2hqa s LEU 273 N -0.33 2.01 0.00 -0.88 1.43 -1.26 -4.72 118.68 114.93 2hqa s LEU 273 Ca 0.54 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 2hqa s LEU 273 Cb -0.35 -0.24 0.00 0.00 0.03 0.00 0.00 46.19 45.63 2hqa s LEU 273 CO 0.39 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.63 2hqa n GLY 274 N 2.96 0.46 2.98 -3.19 0.00 0.21 -5.03 105.19 103.57 2hqa n GLY 274 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 2hqa n GLY 274 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hqa s GLU 275 N -0.84 1.18 0.51 1.61 2.02 -1.26 -4.63 118.70 117.29 2hqa s GLU 275 Ca 0.00 -0.28 -0.23 0.00 0.02 0.00 0.00 54.97 54.48 2hqa s GLU 275 Cb 0.00 -1.06 -0.06 0.00 0.10 0.00 0.00 34.13 33.11 2hqa s GLU 275 CO 0.00 0.03 1.33 0.66 0.02 0.00 0.00 175.26 177.29 2hqa n TYR 276 N 3.69 2.24 -3.54 1.61 0.53 -1.26 -4.09 117.16 116.35 2hqa n TYR 276 Ca -0.22 0.45 -0.41 0.00 -1.02 0.00 0.00 57.90 56.70 2hqa n TYR 276 Cb 0.52 -2.37 -0.05 0.00 -1.03 0.00 0.00 39.34 36.41 2hqa n TYR 276 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 2hqa s PHE 277 N -1.27 3.72 0.65 -0.72 0.08 0.05 -5.00 117.98 115.49 2hqa s PHE 277 Ca 0.68 -2.56 -0.17 0.00 0.12 0.00 0.00 56.93 54.99 2hqa s PHE 277 Cb -0.44 -3.47 -0.03 0.00 -0.57 0.00 0.00 43.02 38.51 2hqa s PHE 277 CO 0.52 -0.88 1.00 1.28 -0.10 0.00 0.00 175.22 177.05 2hqa n LEU 278 N 3.28 3.99 -4.92 -0.37 7.99 -1.26 -4.20 117.00 121.51 2hqa n LEU 278 Ca 0.15 0.76 -0.26 0.00 -0.01 0.00 0.00 56.01 56.65 2hqa n LEU 278 Cb 0.41 -1.42 0.06 0.00 -0.11 0.00 0.00 43.42 42.36 2hqa n LEU 278 CO 0.35 -1.82 0.62 -2.16 -1.51 0.00 0.00 177.39 172.88 2hqa s PRO 279 N -3.01 2.33 -0.05 3.23 0.04 -1.26 -4.38 135.00 131.89 2hqa s PRO 279 Ca 0.77 -0.16 -0.20 0.00 0.04 0.00 0.00 61.00 61.45 2hqa s PRO 279 Cb -0.39 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.94 2hqa s PRO 279 CO 0.46 -1.16 0.56 -1.14 0.04 0.00 0.00 177.00 175.76 2hqa s GLN 280 N -5.23 4.32 0.37 4.56 2.00 -1.26 -4.93 119.66 119.49 2hqa s GLN 280 Ca 0.59 0.64 -0.24 0.00 -2.00 0.00 0.00 55.36 54.35 2hqa s GLN 280 Cb -0.11 -3.38 -0.10 0.00 0.80 0.00 0.00 33.01 30.22 2hqa s GLN 280 CO 0.45 0.27 0.97 0.12 -0.50 0.00 0.00 175.29 176.60 2hqa s PHE 281 N 0.18 3.48 -0.13 1.67 5.36 -1.26 -4.94 117.98 122.34 2hqa s PHE 281 Ca 0.30 1.70 -0.29 0.00 -0.96 0.00 0.00 56.93 57.67 2hqa s PHE 281 Cb -0.17 -2.94 -0.04 0.00 -0.34 0.00 0.00 43.02 39.54 2hqa s PHE 281 CO 0.15 -0.06 1.56 -1.25 -1.46 0.00 0.00 175.22 174.15 2hqa s PRO 282 N -2.52 4.08 0.00 10.12 0.04 -1.26 -4.78 135.00 140.69 2hqa s PRO 282 Ca 0.56 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2hqa s PRO 282 Cb -0.16 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2hqa s PRO 282 CO 0.21 -0.94 0.00 -2.37 0.04 0.00 0.00 177.00 173.94 2hqa n THR 283 N 5.72 0.00 0.00 1.26 5.66 -1.26 -5.11 114.28 120.54 2hqa n THR 283 Ca 0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 2hqa n THR 283 Cb 0.44 0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 2hqa n THR 283 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2hqa n GLY 284 N 0.31 3.65 3.67 1.09 0.00 -1.26 -4.98 105.19 107.67 2hqa n GLY 284 Ca 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2hqa n GLY 284 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2hqa s ASP 285 N -4.00 6.92 0.34 1.61 3.84 -1.26 -5.05 116.67 119.07 2hqa s ASP 285 Ca 0.00 1.13 -0.19 0.00 -0.00 0.00 0.00 52.55 53.49 2hqa s ASP 285 Cb 0.00 -2.44 -0.10 0.00 -1.38 0.00 0.00 42.92 39.01 2hqa s ASP 285 CO 0.00 -0.37 0.82 -0.94 -0.00 0.00 0.00 175.17 174.68 2hqa s SER 287 N 1.15 6.92 0.25 2.11 1.04 -1.26 -5.02 113.70 118.90 2hqa s SER 287 Ca 0.37 1.48 -0.06 0.00 0.48 0.00 0.00 55.95 58.22 2hqa s SER 287 Cb -0.16 -2.45 0.47 0.00 0.10 0.00 0.00 66.02 63.97 2hqa s SER 287 CO 0.12 -0.20 1.63 0.74 0.98 0.00 0.00 173.24 176.51 2hqa h THR 288 N 2.13 0.31 -0.95 2.02 2.02 -1.96 0.15 112.91 116.64 2hqa h THR 288 Ca -0.48 -0.03 0.15 0.00 0.77 0.00 0.00 66.41 66.82 2hqa h THR 288 Cb 1.18 0.20 -0.10 0.00 -1.74 0.00 0.00 68.15 67.70 2hqa h THR 288 CO 0.64 0.02 0.56 -0.33 0.37 0.00 0.00 175.52 176.77 2hqa h GLU 289 N 0.10 0.76 0.13 6.66 3.07 -1.98 -2.85 114.58 120.47 2hqa h GLU 289 Ca 0.43 -0.05 -0.28 0.00 -0.50 0.00 0.00 59.36 58.97 2hqa h GLU 289 Cb 0.77 -0.17 0.01 0.00 -0.84 0.00 0.00 28.75 28.52 2hqa h GLU 289 CO -0.69 0.50 -1.24 -0.44 -1.40 0.00 0.00 179.01 175.74 2hqa h ASP 290 N 0.78 0.50 -0.59 1.42 3.32 -1.46 -3.24 116.42 117.16 2hqa h ASP 290 Ca 0.51 -0.52 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2hqa h ASP 290 Cb 0.69 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 2hqa h ASP 290 CO -0.34 1.39 0.17 0.22 -1.72 0.00 0.00 179.24 178.96 2hqa h TYR 291 N 0.10 1.00 -0.28 4.55 5.03 -1.15 -1.31 116.97 124.91 2hqa h TYR 291 Ca -0.15 -0.10 0.01 0.00 2.58 0.00 0.00 58.73 61.08 2hqa h TYR 291 Cb 1.95 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 39.92 2hqa h TYR 291 CO 0.07 0.82 0.15 1.25 -1.32 0.00 0.00 178.16 179.13 2hqa h LEU 292 N 0.93 0.23 -0.67 2.82 5.85 -1.59 -1.51 115.31 121.37 2hqa h LEU 292 Ca 0.20 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 2hqa h LEU 292 Cb 0.31 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2hqa h LEU 292 CO -0.00 0.17 0.00 -0.37 -0.34 0.00 0.00 178.44 177.90 2hqa h VAL 293 N 0.31 1.26 -0.74 1.05 -1.51 -1.51 0.21 116.25 115.32 2hqa h VAL 293 Ca 0.11 -1.14 0.03 0.00 -1.23 0.00 0.00 66.70 64.48 2hqa h VAL 293 Cb 0.02 0.80 -0.05 0.00 -2.13 0.00 0.00 31.29 29.93 2hqa h VAL 293 CO -0.07 0.41 0.46 0.50 -1.23 0.00 0.00 177.57 177.65 2hqa h LYS 294 N 0.95 0.87 0.01 5.19 3.64 -1.03 0.84 116.57 127.05 2hqa h LYS 294 Ca 0.17 -0.05 -0.29 0.00 -1.27 0.00 0.00 60.65 59.21 2hqa h LYS 294 Cb 0.55 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 2hqa h LYS 294 CO 0.03 0.58 -1.65 -0.09 -2.27 0.00 0.00 179.45 176.04 2hqa h ARG 295 N 0.90 0.02 -0.83 1.90 2.43 -1.08 -2.44 114.38 115.27 2hqa h ARG 295 Ca 0.30 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 2hqa h ARG 295 Cb 0.04 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 2hqa h ARG 295 CO -0.12 0.60 0.39 0.00 -1.51 0.00 0.00 179.97 179.33 2hqa h ALA 296 N 0.93 1.11 0.01 2.80 0.00 -0.55 0.16 119.26 123.72 2hqa h ALA 296 Ca -0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2hqa h ALA 296 Cb 1.99 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2hqa h ALA 296 CO 0.09 0.66 -0.00 0.87 0.00 0.00 0.00 179.25 180.86 2hqa h LYS 297 N 1.19 -0.01 -0.71 0.00 1.57 -0.89 -1.02 116.57 116.70 2hqa h LYS 297 Ca 0.28 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.21 2hqa h LYS 297 Cb 0.14 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.35 2hqa h LYS 297 CO -0.03 0.55 0.22 0.93 -0.57 0.00 0.00 179.45 180.55 2hqa h GLU 298 N -0.59 0.33 -0.02 3.15 5.08 -1.46 -0.35 114.58 120.73 2hqa h GLU 298 Ca -0.00 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2hqa h GLU 298 Cb 0.57 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2hqa h GLU 298 CO 0.00 0.22 -0.10 0.78 -1.00 0.00 0.00 179.01 178.91 2hqa h GLY 299 N 0.34 -0.10 1.53 -3.84 0.00 -0.66 -1.83 103.07 98.51 2hqa h GLY 299 Ca 0.39 0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.89 2hqa h GLY 299 CO -0.44 -0.11 0.19 -2.00 0.00 0.00 0.00 176.54 174.19 2hqa h LEU 300 N -0.16 0.11 -1.18 3.11 6.46 -0.09 -0.09 115.31 123.47 2hqa h LEU 300 Ca 0.04 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2hqa h LEU 300 Cb 0.22 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 2hqa h LEU 300 CO -0.11 0.07 0.37 -0.33 -0.62 0.00 0.00 178.44 177.82 2hqa h GLU 301 N 0.12 0.94 -0.30 1.25 4.39 -0.24 0.24 114.58 120.99 2hqa h GLU 301 Ca 0.13 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.62 2hqa h GLU 301 Cb 0.35 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2hqa h GLU 301 CO -0.02 0.69 -0.25 0.93 -1.16 0.00 0.00 179.01 179.21 2hqa h GLU 302 N 0.95 0.69 -0.28 2.33 3.07 -0.81 -3.10 114.58 117.43 2hqa h GLU 302 Ca 0.24 -0.35 -0.14 0.00 -0.50 0.00 0.00 59.36 58.61 2hqa h GLU 302 Cb 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2hqa h GLU 302 CO -0.04 0.95 -0.40 0.00 -1.40 0.00 0.00 179.01 178.12 2hqa h ARG 303 N 0.44 0.67 -0.30 2.33 2.47 -0.89 -2.82 114.38 116.27 2hqa h ARG 303 Ca 0.05 -0.35 -0.12 0.00 -1.26 0.00 0.00 59.98 58.31 2hqa h ARG 303 Cb 0.80 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.12 2hqa h ARG 303 CO 0.06 0.95 -0.30 -0.07 0.56 0.00 0.00 179.97 181.18 2hqa h LEU 304 N 0.55 0.65 -0.77 3.04 4.07 -0.63 -1.35 115.31 120.87 2hqa h LEU 304 Ca 0.05 -0.25 -0.13 0.00 0.08 0.00 0.00 57.88 57.63 2hqa h LEU 304 Cb 0.93 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.48 2hqa h LEU 304 CO 0.08 0.91 -0.47 0.00 -1.08 0.00 0.00 178.44 177.88 2hqa h ALA 305 N 1.13 0.95 0.18 1.53 0.00 -1.48 -3.03 119.26 118.54 2hqa h ALA 305 Ca 0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2hqa h ALA 305 Cb 0.78 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2hqa h ALA 305 CO 0.06 0.65 -0.09 0.35 0.00 0.00 0.00 179.25 180.22 2hqa h PHE 306 N 0.27 -0.22 0.54 0.00 3.57 -1.42 -3.22 116.94 116.47 2hqa h PHE 306 Ca 0.02 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2hqa h PHE 306 Cb 0.94 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 2hqa h PHE 306 CO 0.02 0.06 -0.33 -0.07 -2.23 0.00 0.00 178.31 175.76 2hqa h LEU 307 N -1.00 -0.83 -7.84 0.59 3.38 -1.33 -3.32 115.31 104.95 2hqa h LEU 307 Ca -0.02 0.05 -0.78 0.00 0.09 0.00 0.00 57.88 57.21 2hqa h LEU 307 Cb 0.38 0.24 -0.26 0.00 0.09 0.00 0.00 40.66 41.11 2hqa h LEU 307 CO 0.04 -0.51 0.04 -0.36 0.09 0.00 0.00 178.44 177.74 2hqa s PHE 308 N -4.95 3.70 0.00 1.13 0.40 -1.14 -5.01 117.98 112.11 2hqa s PHE 308 Ca -0.13 -1.97 0.00 0.00 -0.60 0.00 0.00 56.93 54.23 2hqa s PHE 308 Cb 0.02 -3.78 0.00 0.00 0.51 0.00 0.00 43.02 39.77 2hqa s PHE 308 CO 0.40 -0.98 0.00 -0.35 0.70 0.00 0.00 175.22 174.98 2hqa n PRO 309 N 4.06 0.00 0.00 0.24 -0.04 -1.25 -4.57 135.00 133.44 2hqa n PRO 309 Ca 0.11 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 2hqa n PRO 309 Cb 0.46 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.93 2hqa n PRO 309 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2hqa n ASP 310 N 0.00 1.94 -4.81 3.54 10.43 -1.21 -4.39 116.55 122.05 2hqa n ASP 310 Ca 0.00 -1.47 -0.38 0.00 2.57 0.00 0.00 54.79 55.51 2hqa n ASP 310 Cb 0.00 0.37 -0.06 0.00 1.84 0.00 0.00 41.12 43.27 2hqa n ASP 310 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 2hqa s GLU 311 N -1.99 4.24 0.00 -1.24 4.04 -1.26 -4.97 118.70 117.52 2hqa s GLU 311 Ca 0.17 0.79 0.00 0.00 0.04 0.00 0.00 54.97 55.97 2hqa s GLU 311 Cb 0.15 -3.18 0.00 0.00 0.02 0.00 0.00 34.13 31.12 2hqa s GLU 311 CO 0.42 0.59 1.01 -1.91 -1.84 0.00 0.00 175.26 173.53 2hqa n GLU 312 N 1.51 0.88 0.12 -4.83 4.07 -1.26 -3.92 120.64 117.21 2hqa n GLU 312 Ca -0.08 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 56.97 2hqa n GLU 312 Cb 0.51 -1.06 -0.02 0.00 -0.06 0.00 0.00 31.44 30.80 2hqa n GLU 312 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 2hqa h GLU 313 N 0.42 -0.32 0.00 5.31 4.11 -1.93 -3.41 114.58 118.77 2hqa h GLU 313 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2hqa h GLU 313 Cb 0.88 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2hqa h GLU 313 CO 0.00 -0.21 0.00 -2.13 0.07 0.00 0.00 179.01 176.74 2hqa n ARG 314 N -3.34 0.00 -0.03 1.06 0.63 -1.25 -0.84 116.66 112.88 2hqa n ARG 314 Ca -0.04 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.03 2hqa n ARG 314 Cb 0.13 0.00 0.22 0.00 0.45 0.00 0.00 32.46 33.26 2hqa n ARG 314 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2hqa n LEU 315 N 0.00 0.00 -0.35 6.15 4.32 -1.26 -0.63 117.00 125.23 2hqa n LEU 315 Ca 0.00 0.51 0.00 0.00 -0.02 0.00 0.00 56.01 56.50 2hqa n LEU 315 Cb 0.00 -0.13 0.16 0.00 -1.62 0.00 0.00 43.42 41.82 2hqa n LEU 315 CO 0.00 -0.51 1.28 0.50 -1.22 0.00 0.00 177.39 177.44 2hqa h LYS 316 N 0.00 1.21 0.00 3.23 3.11 -1.34 -3.31 116.57 119.47 2hqa h LYS 316 Ca 0.25 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 58.02 2hqa h LYS 316 Cb 1.98 -0.27 0.00 0.00 -1.00 0.00 0.00 32.23 32.94 2hqa h LYS 316 CO -0.00 0.80 -0.39 -2.13 -2.81 0.00 0.00 179.45 174.92 2hqa n ARG 317 N -4.43 0.03 -0.18 1.90 0.63 0.07 -4.87 116.66 109.80 2hqa n ARG 317 Ca 0.13 -0.92 -0.06 0.00 -0.92 0.00 0.00 57.85 56.08 2hqa n ARG 317 Cb 0.08 -0.52 0.11 0.00 0.45 0.00 0.00 32.46 32.58 2hqa n ARG 317 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2hqa h ARG 318 N 0.00 0.97 -0.55 -0.14 2.43 -0.96 -3.28 114.38 112.86 2hqa h ARG 318 Ca 0.00 -0.25 0.10 0.00 -0.81 0.00 0.00 59.98 59.02 2hqa h ARG 318 Cb 1.31 -0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 30.66 2hqa h ARG 318 CO 0.00 0.90 0.10 -1.00 -1.51 0.00 0.00 179.97 178.46 2hqa h PRO 319 N 0.92 0.22 -1.34 0.20 0.13 -1.85 0.17 132.00 130.45 2hqa h PRO 319 Ca 0.19 -0.01 0.39 0.00 -0.87 0.00 0.00 66.00 65.69 2hqa h PRO 319 Cb 0.41 -0.05 -0.08 0.00 0.13 0.00 0.00 31.00 31.41 2hqa h PRO 319 CO 0.01 0.15 0.93 1.49 -0.23 0.00 0.00 178.00 180.35 2hqa h GLU 320 N 0.23 0.09 0.00 0.86 4.81 -1.94 0.50 114.58 119.13 2hqa h GLU 320 Ca 0.28 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2hqa h GLU 320 Cb 0.40 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2hqa h GLU 320 CO -0.38 0.06 -0.01 1.88 -0.73 0.00 0.00 179.01 179.83 2hqa h TYR 321 N 0.09 0.00 -0.96 0.92 -1.99 -0.83 -2.44 116.97 111.75 2hqa h TYR 321 Ca 0.69 0.00 0.09 0.00 2.00 0.00 0.00 58.73 61.51 2hqa h TYR 321 Cb 2.48 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 41.14 2hqa h TYR 321 CO -0.00 0.53 0.62 -0.44 -0.00 0.00 0.00 178.16 178.86 2hqa h ASP 322 N -1.00 0.93 0.15 3.88 3.32 -0.75 -1.92 116.42 121.03 2hqa h ASP 322 Ca -0.00 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.08 2hqa h ASP 322 Cb 0.53 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 2hqa h ASP 322 CO -0.00 0.56 -0.50 -0.08 -1.72 0.00 0.00 179.24 177.49 2hqa h GLU 323 N 1.04 -0.71 -0.55 3.56 4.81 -0.10 -2.13 114.58 120.49 2hqa h GLU 323 Ca 0.44 0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.64 2hqa h GLU 323 Cb 0.32 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2hqa h GLU 323 CO -0.19 -0.48 0.05 -0.09 -0.73 0.00 0.00 179.01 177.57 2hqa h ARG 324 N -0.74 0.91 -0.64 1.92 9.65 -0.89 -2.54 114.38 122.05 2hqa h ARG 324 Ca -0.01 -0.24 0.02 0.00 -1.10 0.00 0.00 59.98 58.65 2hqa h ARG 324 Cb 0.73 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.17 2hqa h ARG 324 CO -0.26 0.88 0.41 1.25 2.80 0.00 0.00 179.97 185.05 2hqa h LEU 325 N 0.86 0.68 -0.52 3.80 5.85 -1.35 -2.24 115.31 122.38 2hqa h LEU 325 Ca 0.17 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.99 2hqa h LEU 325 Cb 0.44 -0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.22 2hqa h LEU 325 CO 0.02 0.47 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.15 2hqa h GLU 326 N 0.81 0.01 -0.78 1.25 5.08 -0.97 0.16 114.58 120.14 2hqa h GLU 326 Ca 0.25 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 2hqa h GLU 326 Cb -0.01 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2hqa h GLU 326 CO -0.09 0.01 0.41 1.15 -1.00 0.00 0.00 179.01 179.49 2hqa h THR 327 N 0.01 1.24 0.02 1.13 2.02 -1.18 -1.63 112.91 114.52 2hqa h THR 327 Ca 0.25 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 2hqa h THR 327 Cb 0.39 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 2hqa h THR 327 CO -0.53 0.27 -0.01 -0.33 0.37 0.00 0.00 175.52 175.29 2hqa h GLU 328 N 1.09 -0.03 -0.61 6.66 5.08 -1.04 -2.56 114.58 123.17 2hqa h GLU 328 Ca 0.27 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.76 2hqa h GLU 328 Cb 0.06 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.21 2hqa h GLU 328 CO -0.04 0.64 0.05 -0.07 -1.00 0.00 0.00 179.01 178.59 2hqa h LEU 329 N -0.75 -0.17 -1.71 1.33 4.07 -0.65 0.14 115.31 117.58 2hqa h LEU 329 Ca -0.00 0.14 -0.04 0.00 0.08 0.00 0.00 57.88 58.06 2hqa h LEU 329 Cb 0.68 0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 2hqa h LEU 329 CO 0.01 -0.07 -0.18 0.06 -1.08 0.00 0.00 178.44 177.18 2hqa h GLN 330 N 0.17 0.00 0.00 1.13 -0.00 -1.33 -1.12 115.11 113.96 2hqa h GLN 330 Ca 0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.97 2hqa h GLN 330 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.99 2hqa h GLN 330 CO -0.48 0.18 -0.00 0.28 -0.00 0.00 0.00 178.83 178.81 2hqa h VAL 331 N 0.00 1.33 -0.76 1.86 2.07 -0.40 -2.38 116.25 117.96 2hqa h VAL 331 Ca -0.00 -1.99 0.18 0.00 0.82 0.00 0.00 66.70 65.71 2hqa h VAL 331 Cb 0.39 2.51 -0.13 0.00 -1.52 0.00 0.00 31.29 32.54 2hqa h VAL 331 CO 0.02 0.45 0.06 0.40 0.02 0.00 0.00 177.57 178.52 2hqa h ILE 332 N -1.00 0.37 -0.15 4.57 2.04 -0.86 -2.47 117.51 120.01 2hqa h ILE 332 Ca -0.00 -0.05 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 2hqa h ILE 332 Cb 0.74 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2hqa h ILE 332 CO 0.00 0.03 -0.30 0.78 0.00 0.00 0.00 178.15 178.66 2hqa h ASN 333 N 0.14 0.52 0.00 1.72 2.35 -1.30 0.70 115.58 119.70 2hqa h ASN 333 Ca 0.43 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 2hqa h ASN 333 Cb 0.76 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2hqa h ASN 333 CO -0.64 0.98 0.00 1.67 -1.65 0.00 0.00 177.43 177.79 2hqa n GLN 334 N -4.39 0.10 -0.33 0.81 7.27 -0.90 -4.53 117.38 115.41 2hqa n GLN 334 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.00 2hqa n GLN 334 Cb 0.47 -1.37 0.00 0.00 2.41 0.00 0.00 30.24 31.75 2hqa n GLN 334 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2hqa n GLY 336 N 0.85 0.12 1.25 1.69 0.00 -0.87 -5.08 105.19 103.15 2hqa n GLY 336 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2hqa n GLY 336 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2hqa n PHE 337 N 0.00 0.73 -0.36 1.61 0.99 0.18 -4.62 117.46 115.99 2hqa n PHE 337 Ca 0.00 -0.37 0.08 0.00 -0.00 0.00 0.00 57.45 57.15 2hqa n PHE 337 Cb 0.57 -0.00 0.25 0.00 -1.00 0.00 0.00 39.48 39.30 2hqa n PHE 337 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 2hqa h PRO 338 N 4.37 0.95 -0.39 -1.08 0.13 -1.90 0.46 132.00 134.55 2hqa h PRO 338 Ca 0.00 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 2hqa h PRO 338 Cb 0.99 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 2hqa h PRO 338 CO 0.00 0.63 0.13 0.78 -0.23 0.00 0.00 178.00 179.31 2hqa h GLY 339 N 0.98 0.59 1.25 1.56 0.00 -1.88 -2.26 103.07 103.32 2hqa h GLY 339 Ca 0.50 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 2hqa h GLY 339 CO -0.27 0.27 0.34 -1.82 0.00 0.00 0.00 176.54 175.06 2hqa h TYR 340 N 0.55 0.97 -0.09 5.60 3.20 -1.23 0.11 116.97 126.07 2hqa h TYR 340 Ca 0.13 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.84 2hqa h TYR 340 Cb 0.15 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 38.12 2hqa h TYR 340 CO 0.01 0.70 -0.44 0.74 -1.64 0.00 0.00 178.16 177.53 2hqa h PHE 341 N 0.97 0.62 -0.65 -3.82 -1.00 -1.35 -2.76 116.94 108.95 2hqa h PHE 341 Ca 0.24 -0.27 0.07 0.00 2.81 0.00 0.00 57.97 60.82 2hqa h PHE 341 Cb 0.08 -0.10 -0.06 0.00 3.61 0.00 0.00 35.95 39.49 2hqa h PHE 341 CO 0.01 1.03 0.33 -0.07 -1.61 0.00 0.00 178.31 178.00 2hqa h LEU 342 N 0.03 0.45 -0.21 1.54 4.07 -1.14 -3.07 115.31 116.97 2hqa h LEU 342 Ca -0.03 0.05 -0.06 0.00 0.08 0.00 0.00 57.88 57.91 2hqa h LEU 342 Cb 1.08 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.78 2hqa h LEU 342 CO 0.09 0.28 -0.31 -0.29 -1.08 0.00 0.00 178.44 177.13 2hqa h ILE 343 N 0.60 0.56 0.00 1.22 -0.00 -0.73 -0.49 117.51 118.67 2hqa h ILE 343 Ca 0.31 -1.67 0.00 0.00 -0.00 0.00 0.00 64.86 63.50 2hqa h ILE 343 Cb 0.27 2.18 0.00 0.00 -0.00 0.00 0.00 36.82 39.27 2hqa h ILE 343 CO -0.22 0.30 0.00 0.52 -0.00 0.00 0.00 178.15 178.75 2hqa n VAL 344 N -3.21 0.70 0.00 2.19 0.31 -1.05 -2.39 118.33 114.88 2hqa n VAL 344 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2hqa n VAL 344 Cb 0.62 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 2hqa n VAL 344 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2hqa n GLU 346 N 0.43 0.00 -0.22 5.55 0.00 -0.19 -0.68 120.64 125.52 2hqa n GLU 346 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 2hqa n GLU 346 Cb 0.40 0.00 0.06 0.00 0.00 0.00 0.00 31.44 31.90 2hqa n GLU 346 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 2hqa h PHE 347 N 0.00 -0.46 -0.87 4.31 3.57 -1.72 0.03 116.94 121.79 2hqa h PHE 347 Ca 0.00 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2hqa h PHE 347 Cb 0.00 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 2hqa h PHE 347 CO 0.00 -0.30 0.51 0.82 -2.23 0.00 0.00 178.31 177.10 2hqa h ILE 348 N -0.04 1.25 -0.54 1.41 2.04 -1.19 -0.75 117.51 119.69 2hqa h ILE 348 Ca 0.30 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2hqa h ILE 348 Cb 0.50 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2hqa h ILE 348 CO -0.67 0.26 0.27 1.56 0.00 0.00 0.00 178.15 179.57 2hqa h GLN 349 N 1.21 0.77 -0.32 2.37 1.08 -1.42 -2.24 115.11 116.56 2hqa h GLN 349 Ca 0.31 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 2hqa h GLN 349 Cb -0.02 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.25 2hqa h GLN 349 CO -0.06 0.63 0.16 2.35 -0.95 0.00 0.00 178.83 180.96 2hqa h TRP 350 N 0.73 0.46 -0.51 2.96 7.01 -0.24 -0.12 115.95 126.23 2hqa h TRP 350 Ca 0.19 -0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.10 2hqa h TRP 350 Cb 0.10 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 2hqa h TRP 350 CO -0.01 0.40 0.03 0.66 -2.79 0.00 0.00 178.44 176.73 2hqa h SER 351 N 0.39 0.80 -0.76 2.65 4.64 -1.14 0.82 113.55 120.94 2hqa h SER 351 Ca 0.11 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2hqa h SER 351 Cb 0.11 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 61.95 2hqa h SER 351 CO -0.01 0.85 0.47 0.11 -0.87 0.00 0.00 176.83 177.37 2hqa h LYS 352 N 0.78 1.03 0.10 4.77 1.57 -1.12 -2.90 116.57 120.79 2hqa h LYS 352 Ca 0.16 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2hqa h LYS 352 Cb 0.43 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2hqa h LYS 352 CO 0.02 0.71 -0.05 -0.44 -0.57 0.00 0.00 179.45 179.12 2hqa h ASP 353 N 1.04 -0.11 -1.86 0.86 5.19 0.07 -3.45 116.42 118.17 2hqa h ASP 353 Ca 0.28 -0.43 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 2hqa h ASP 353 Cb -0.06 0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.48 2hqa h ASP 353 CO -0.05 0.41 0.00 0.59 -3.12 0.00 0.00 179.24 177.07 2hqa n ASN 354 N -4.90 -0.17 -2.66 6.45 4.13 0.27 -4.96 115.26 113.42 2hqa n ASN 354 Ca -0.08 -0.89 -0.35 0.00 1.68 0.00 0.00 54.58 54.94 2hqa n ASN 354 Cb 0.27 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.53 2hqa n ASN 354 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2hqa n GLY 355 N 4.57 5.21 2.96 7.41 0.00 -1.26 -4.79 105.19 119.29 2hqa n GLY 355 Ca 0.00 -2.23 -0.31 0.00 0.00 0.00 0.00 46.02 43.48 2hqa n GLY 355 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hqa s VAL 356 N -4.20 1.65 0.18 1.61 1.01 -1.10 -5.11 120.40 114.45 2hqa s VAL 356 Ca 0.54 -1.35 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 2hqa s VAL 356 Cb 0.43 -1.92 -0.08 0.00 0.00 0.00 0.00 36.38 34.81 2hqa s VAL 356 CO -0.28 -0.13 1.06 -2.16 0.00 0.00 0.00 175.10 173.58 2hqa s PRO 357 N 1.33 4.65 -0.09 2.72 0.04 -1.26 -4.16 135.00 138.22 2hqa s PRO 357 Ca -0.05 1.65 -0.04 0.00 0.04 0.00 0.00 61.00 62.60 2hqa s PRO 357 Cb -0.19 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 2hqa s PRO 357 CO -0.07 0.16 0.09 0.14 0.04 0.00 0.00 177.00 177.36 2hqa s VAL 358 N -0.37 5.00 1.15 -0.36 -7.23 -1.26 -4.34 120.40 112.99 2hqa s VAL 358 Ca 0.48 -0.05 -0.14 0.00 -1.81 0.00 0.00 61.98 60.46 2hqa s VAL 358 Cb -0.28 -3.18 0.24 0.00 0.56 0.00 0.00 36.38 33.72 2hqa s VAL 358 CO 0.34 0.56 0.81 0.61 -0.31 0.00 0.00 175.10 177.12 2hqa n GLY 359 N 1.87 -2.03 0.00 2.32 0.00 0.90 -4.92 105.19 103.32 2hqa n GLY 359 Ca -0.18 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2hqa n GLY 359 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hqa n PRO 360 N -4.31 0.00 0.00 1.61 -0.02 -1.26 -4.69 135.00 126.32 2hqa n PRO 360 Ca 0.03 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2hqa n PRO 360 Cb 0.55 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.87 2hqa n PRO 360 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hqa n GLY 361 N 0.18 0.38 4.30 -1.23 0.00 -1.26 -4.75 105.19 102.81 2hqa n GLY 361 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2hqa n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hqa n ARG 362 N 0.00 0.00 0.00 1.61 5.12 -0.62 -4.79 116.66 117.98 2hqa n ARG 362 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2hqa n ARG 362 Cb 0.00 -3.59 0.00 0.00 -1.16 0.00 0.00 32.46 27.71 2hqa n ARG 362 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hqa n GLY 363 N -1.63 2.27 1.22 -0.13 0.00 -0.95 -1.66 105.19 104.31 2hqa n GLY 363 Ca 0.00 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.75 2hqa n GLY 363 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hqa n SER 364 N 5.53 4.00 -3.90 1.61 7.64 -1.26 -4.24 113.62 123.00 2hqa n SER 364 Ca 0.00 -2.26 0.00 0.00 1.01 0.00 0.00 58.87 57.62 2hqa n SER 364 Cb 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 2hqa n SER 364 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hqa n GLY 365 N 0.96 -3.37 4.51 0.23 0.00 -0.66 -3.68 105.19 103.19 2hqa n GLY 365 Ca 0.21 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2hqa n GLY 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hqa n ALA 366 N -3.00 0.00 1.26 4.61 0.00 -1.26 -4.39 120.51 117.73 2hqa n ALA 366 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2hqa n ALA 366 Cb 0.00 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.13 2hqa n ALA 366 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hqa n GLY 367 N -0.58 -1.24 3.45 0.00 0.00 -1.24 -4.28 105.19 101.30 2hqa n GLY 367 Ca 0.00 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 2hqa n GLY 367 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hqa s SER 368 N -2.63 6.15 0.27 1.61 0.15 -1.26 -1.41 113.70 116.57 2hqa s SER 368 Ca 0.24 -0.94 -0.01 0.00 0.70 0.00 0.00 55.95 55.95 2hqa s SER 368 Cb 0.19 -2.20 0.59 0.00 -1.71 0.00 0.00 66.02 62.89 2hqa s SER 368 CO 0.44 -0.57 1.70 0.25 1.20 0.00 0.00 173.24 176.25 2hqa h LEU 369 N 8.87 0.23 -0.82 3.45 5.85 -1.92 -1.35 115.31 129.62 2hqa h LEU 369 Ca -0.27 0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.67 2hqa h LEU 369 Cb 1.11 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.22 2hqa h LEU 369 CO 0.80 0.02 0.49 0.58 -0.34 0.00 0.00 178.44 179.99 2hqa h VAL 370 N 0.38 0.96 -0.82 1.05 2.07 -1.93 0.17 116.25 118.14 2hqa h VAL 370 Ca 0.49 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.72 2hqa h VAL 370 Cb 0.85 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2hqa h VAL 370 CO -0.50 0.16 0.54 0.00 0.02 0.00 0.00 177.57 177.79 2hqa h ALA 371 N 1.43 1.03 -0.20 1.67 0.00 -1.66 0.19 119.26 121.72 2hqa h ALA 371 Ca 0.38 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2hqa h ALA 371 Cb 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2hqa h ALA 371 CO -0.21 0.44 -0.02 -0.92 0.00 0.00 0.00 179.25 178.54 2hqa h TYR 372 N 1.11 0.40 -0.94 0.00 -0.00 -0.93 0.12 116.97 116.72 2hqa h TYR 372 Ca 0.30 -0.07 0.10 0.00 -0.00 0.00 0.00 58.73 59.05 2hqa h TYR 372 Cb -0.13 -0.10 -0.08 0.00 -0.00 0.00 0.00 36.73 36.43 2hqa h TYR 372 CO -0.02 0.58 0.58 0.00 -0.00 0.00 0.00 178.16 179.30 2hqa h ALA 373 N 0.77 1.37 0.00 1.82 0.00 -0.19 -0.24 119.26 122.78 2hqa h ALA 373 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2hqa h ALA 373 Cb 0.43 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2hqa h ALA 373 CO 0.01 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.79 2hqa n LEU 374 N -4.63 0.00 -2.31 0.00 4.77 0.61 -4.16 117.00 111.28 2hqa n LEU 374 Ca 0.16 0.26 -0.19 0.00 -0.03 0.00 0.00 56.01 56.21 2hqa n LEU 374 Cb 0.28 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2hqa n LEU 374 CO 0.29 -0.02 -0.17 0.29 -1.33 0.00 0.00 177.39 176.45 2hqa n LYS 375 N -1.26 -2.37 0.14 3.23 5.02 -0.07 -4.87 118.16 117.97 2hqa n LYS 375 Ca 0.14 0.88 -0.24 0.00 -2.02 0.00 0.00 58.31 57.07 2hqa n LYS 375 Cb 0.21 -5.46 -0.15 0.00 -0.02 0.00 0.00 35.03 29.61 2hqa n LYS 375 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2hqa h ILE 376 N -0.38 1.31 -2.18 -0.18 2.04 -1.10 -3.46 117.51 113.56 2hqa h ILE 376 Ca -0.45 -2.72 -0.57 0.00 1.00 0.00 0.00 64.86 62.11 2hqa h ILE 376 Cb 1.33 3.00 -0.10 0.00 -0.74 0.00 0.00 36.82 40.31 2hqa h ILE 376 CO 0.52 0.81 -0.67 0.42 0.00 0.00 0.00 178.15 179.24 2hqa s THR 377 N -2.64 3.17 -0.04 -0.27 -4.23 -1.15 -5.00 115.64 105.48 2hqa s THR 377 Ca -0.08 -2.02 0.06 0.00 -1.18 0.00 0.00 61.69 58.47 2hqa s THR 377 Cb 0.05 -2.73 0.09 0.00 1.34 0.00 0.00 72.50 71.25 2hqa s THR 377 CO 0.94 -0.36 1.00 0.47 -0.54 0.00 0.00 174.62 176.12 2hqa n ASP 378 N -0.85 1.77 -4.79 3.99 8.00 -1.26 -4.33 116.55 119.08 2hqa n ASP 378 Ca -0.06 -2.25 -0.34 0.00 0.71 0.00 0.00 54.79 52.86 2hqa n ASP 378 Cb 0.59 -0.15 -0.07 0.00 -0.02 0.00 0.00 41.12 41.47 2hqa n ASP 378 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2hqa s LEU 379 N -1.43 3.93 -0.63 0.64 1.43 -1.26 -5.08 118.68 116.28 2hqa s LEU 379 Ca 0.10 0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 53.13 2hqa s LEU 379 Cb 0.09 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 44.15 2hqa s LEU 379 CO 0.01 0.30 1.17 -0.62 0.23 0.00 0.00 176.35 177.45 2hqa s ASP 380 N -1.53 6.34 0.50 2.29 2.15 -1.26 -4.82 116.67 120.33 2hqa s ASP 380 Ca 0.21 -0.17 0.16 0.00 0.43 0.00 0.00 52.55 53.18 2hqa s ASP 380 Cb -0.12 -2.53 1.21 0.00 -0.30 0.00 0.00 42.92 41.18 2hqa s ASP 380 CO 0.11 -1.55 2.11 1.55 -0.17 0.00 0.00 175.17 177.22 2hqa h PRO 381 N 9.65 0.00 -0.15 4.34 0.13 -1.89 -1.95 132.00 142.13 2hqa h PRO 381 Ca -0.26 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.72 2hqa h PRO 381 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2hqa h PRO 381 CO 1.20 0.05 -0.54 -0.07 -0.23 0.00 0.00 178.00 178.41 2hqa h LEU 382 N 0.00 0.47 -1.37 1.56 4.07 -1.92 0.71 115.31 118.83 2hqa h LEU 382 Ca -0.00 -0.25 -0.03 0.00 0.08 0.00 0.00 57.88 57.68 2hqa h LEU 382 Cb 0.10 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 2hqa h LEU 382 CO 0.01 0.92 0.07 -0.08 -1.08 0.00 0.00 178.44 178.28 2hqa h GLU 383 N 0.33 0.49 0.00 1.13 4.57 -1.77 -3.14 114.58 116.19 2hqa h GLU 383 Ca 0.01 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2hqa h GLU 383 Cb 1.06 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.56 2hqa h GLU 383 CO 0.09 0.46 -0.07 1.19 -1.18 0.00 0.00 179.01 179.51 2hqa n PHE 384 N -4.34 0.00 -3.83 0.92 3.01 -1.14 -4.99 117.46 107.08 2hqa n PHE 384 Ca 0.02 -1.06 -0.29 0.00 1.01 0.00 0.00 57.45 57.12 2hqa n PHE 384 Cb 0.19 -0.16 0.01 0.00 -0.01 0.00 0.00 39.48 39.50 2hqa n PHE 384 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2hqa n ASP 385 N -1.39 -2.73 -4.76 4.37 8.00 -0.30 -4.97 116.55 114.78 2hqa n ASP 385 Ca 0.16 -1.02 -0.37 0.00 0.71 0.00 0.00 54.79 54.27 2hqa n ASP 385 Cb 0.65 -3.14 -0.07 0.00 -0.02 0.00 0.00 41.12 38.54 2hqa n ASP 385 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2hqa s LEU 386 N -6.78 4.29 -0.15 0.64 1.43 0.23 -4.90 118.68 113.45 2hqa s LEU 386 Ca 0.24 0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 53.83 2hqa s LEU 386 Cb -0.09 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 2hqa s LEU 386 CO 0.88 0.16 0.13 -0.76 0.23 0.00 0.00 176.35 176.99 2hqa s LEU 387 N 0.10 4.31 0.24 1.79 1.43 -1.26 -4.63 118.68 120.66 2hqa s LEU 387 Ca 0.18 0.37 0.08 0.00 -1.03 0.00 0.00 54.13 53.73 2hqa s LEU 387 Cb -0.13 -2.08 0.25 0.00 0.03 0.00 0.00 46.19 44.25 2hqa s LEU 387 CO 0.05 0.31 1.55 0.15 0.23 0.00 0.00 176.35 178.65 2hqa h PHE 388 N 5.68 0.08 0.00 0.29 3.04 -1.61 -3.28 116.94 121.14 2hqa h PHE 388 Ca -0.49 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.42 2hqa h PHE 388 Cb 1.20 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.69 2hqa h PHE 388 CO 0.68 0.72 0.00 1.05 -2.02 0.00 0.00 178.31 178.74 2hqa h GLU 389 N 0.04 0.00 0.00 1.11 9.09 -1.86 -0.78 114.58 122.17 2hqa h GLU 389 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.40 2hqa h GLU 389 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 2hqa h GLU 389 CO 0.09 0.00 0.00 -2.13 0.05 0.00 0.00 179.01 177.02 2hqa n ARG 390 N -3.06 0.04 -0.05 1.06 0.00 -1.24 -3.72 116.66 109.69 2hqa n ARG 390 Ca 0.03 0.20 -0.09 0.00 -0.00 0.00 0.00 57.85 58.00 2hqa n ARG 390 Cb 0.48 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.39 2hqa n ARG 390 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2hqa n PHE 391 N -1.47 0.00 -3.72 -0.14 7.35 -0.83 -4.94 117.46 113.72 2hqa n PHE 391 Ca 0.05 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.51 2hqa n PHE 391 Cb 0.19 -0.40 -0.18 0.00 0.35 0.00 0.00 39.48 39.44 2hqa n PHE 391 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2hqa s LEU 392 N -5.90 0.48 -0.22 -2.13 1.43 -0.36 -4.76 118.68 107.21 2hqa s LEU 392 Ca -0.14 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 2hqa s LEU 392 Cb 0.04 -0.34 0.05 0.00 0.03 0.00 0.00 46.19 45.97 2hqa s LEU 392 CO 0.23 -0.24 -0.10 0.21 0.23 0.00 0.00 176.35 176.68 2hqa s ASN 393 N 2.04 3.75 0.64 2.29 2.47 -1.25 -4.00 114.94 120.88 2hqa s ASN 393 Ca 0.04 -1.07 0.38 0.00 0.42 0.00 0.00 52.86 52.63 2hqa s ASN 393 Cb -0.13 -1.31 2.12 0.00 -1.45 0.00 0.00 41.25 40.48 2hqa s ASN 393 CO -0.05 -0.17 2.27 -0.65 -3.72 0.00 0.00 177.10 174.78 2hqa h PRO 394 N 7.92 0.00 0.00 0.43 0.11 -1.94 -1.31 132.00 137.21 2hqa h PRO 394 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2hqa h PRO 394 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2hqa h PRO 394 CO 0.46 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 176.34 2hqa n GLU 395 N -3.33 0.29 -3.84 1.05 2.13 -1.26 -4.85 120.64 110.83 2hqa n GLU 395 Ca -0.02 0.01 -0.13 0.00 0.66 0.00 0.00 57.16 57.68 2hqa n GLU 395 Cb 0.13 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.20 2hqa n GLU 395 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 2hqa s ARG 396 N -2.70 0.00 0.00 5.31 1.70 -0.50 -5.13 118.95 117.64 2hqa s ARG 396 Ca 0.24 0.06 -0.30 0.00 -0.47 0.00 0.00 55.73 55.26 2hqa s ARG 396 Cb 0.19 -0.06 -0.06 0.00 -0.57 0.00 0.00 34.95 34.45 2hqa s ARG 396 CO 0.47 -0.04 1.58 0.08 -1.08 0.00 0.00 175.30 176.30 2hqa s VAL 397 N 0.28 3.44 0.00 4.99 1.01 -1.26 -4.68 120.40 124.18 2hqa s VAL 397 Ca -0.02 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.71 2hqa s VAL 397 Cb -0.03 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2hqa s VAL 397 CO -0.01 -0.03 0.00 -1.54 0.00 0.00 0.00 175.10 173.53 2hqa n SER 398 N 6.10 3.34 -3.77 3.32 3.41 -1.26 -5.12 113.62 119.64 2hqa n SER 398 Ca 0.16 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.62 2hqa n SER 398 Cb 0.42 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.22 2hqa n SER 398 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2hqa s PRO 400 N 4.72 -0.01 -0.13 4.33 0.04 -1.26 -4.92 135.00 137.77 2hqa s PRO 400 Ca 0.00 0.22 -0.01 0.00 0.04 0.00 0.00 61.00 61.25 2hqa s PRO 400 Cb 0.00 -0.23 0.03 0.00 0.04 0.00 0.00 34.50 34.34 2hqa s PRO 400 CO 0.00 -0.17 -0.04 0.34 0.04 0.00 0.00 177.00 177.17 2hqa s ASP 401 N 1.08 2.29 0.00 6.66 3.68 -1.26 -4.99 116.67 124.13 2hqa s ASP 401 Ca -0.09 -0.40 0.11 0.00 2.13 0.00 0.00 52.55 54.30 2hqa s ASP 401 Cb -0.13 -0.75 0.66 0.00 -1.45 0.00 0.00 42.92 41.26 2hqa s ASP 401 CO -0.04 -0.17 1.33 0.49 0.13 0.00 0.00 175.17 176.92 2hqa n PHE 402 N 4.98 0.00 -4.01 -5.34 3.01 -1.26 -4.22 117.46 110.63 2hqa n PHE 402 Ca -0.11 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.00 2hqa n PHE 402 Cb 0.49 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.96 2hqa n PHE 402 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2hqa n ASP 403 N -0.70 -2.54 -4.81 4.37 8.00 -1.26 -1.58 116.55 118.03 2hqa n ASP 403 Ca 0.08 -1.03 -0.39 0.00 0.71 0.00 0.00 54.79 54.17 2hqa n ASP 403 Cb 0.04 -1.24 -0.06 0.00 -0.02 0.00 0.00 41.12 39.83 2hqa n ASP 403 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2hqa s VAL 404 N -3.89 4.74 0.05 2.53 0.11 -1.26 -3.63 120.40 119.06 2hqa s VAL 404 Ca 0.33 1.21 -0.12 0.00 -2.93 0.00 0.00 61.98 60.46 2hqa s VAL 404 Cb -0.18 -3.89 0.01 0.00 -1.53 0.00 0.00 36.38 30.79 2hqa s VAL 404 CO 0.77 0.55 0.26 1.51 -3.33 0.00 0.00 175.10 174.86 2hqa s ASP 405 N -1.13 -0.05 0.28 3.54 -4.77 -1.26 -2.58 116.67 110.69 2hqa s ASP 405 Ca 0.29 -0.32 0.03 0.00 -3.30 0.00 0.00 52.55 49.26 2hqa s ASP 405 Cb -0.19 0.35 -0.04 0.00 -1.09 0.00 0.00 42.92 41.95 2hqa s ASP 405 CO 0.19 -0.63 0.20 0.72 0.70 0.00 0.00 175.17 176.34 2hqa s PHE 406 N -2.84 1.50 0.00 2.11 -0.12 -1.06 -0.07 117.98 117.50 2hqa s PHE 406 Ca -0.03 -1.49 0.00 0.00 -0.05 0.00 0.00 56.93 55.36 2hqa s PHE 406 Cb 0.00 -0.69 0.00 0.00 -0.63 0.00 0.00 43.02 41.70 2hqa s PHE 406 CO -0.05 -0.70 0.00 0.00 -0.05 0.00 0.00 175.22 174.41 2hqa n GLU 409 N 0.00 0.00 -0.00 0.00 4.71 -1.26 -3.87 120.64 120.22 2hqa n GLU 409 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.16 57.30 2hqa n GLU 409 Cb 0.00 -0.62 0.80 0.00 -1.01 0.00 0.00 31.44 30.61 2hqa n GLU 409 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2hqa n LYS 410 N 0.00 1.22 -0.29 3.49 5.02 -1.26 -4.30 118.16 122.05 2hqa n LYS 410 Ca 0.00 -0.32 0.03 0.00 -2.02 0.00 0.00 58.31 56.00 2hqa n LYS 410 Cb 0.00 -1.49 0.11 0.00 -0.02 0.00 0.00 35.03 33.63 2hqa n LYS 410 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2hqa h ARG 411 N 0.79 0.01 -0.68 1.97 0.11 -1.98 -0.87 114.38 113.72 2hqa h ARG 411 Ca 0.00 -0.00 0.09 0.00 0.10 0.00 0.00 59.98 60.16 2hqa h ARG 411 Cb 0.17 -0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.18 2hqa h ARG 411 CO 0.00 0.00 0.33 -0.44 0.10 0.00 0.00 179.97 179.97 2hqa h ASP 412 N 0.01 0.44 -0.37 0.08 3.45 -1.96 -1.04 116.42 117.02 2hqa h ASP 412 Ca 0.40 0.06 -0.00 0.00 0.43 0.00 0.00 57.03 57.91 2hqa h ASP 412 Cb 0.63 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.36 2hqa h ASP 412 CO -0.84 0.26 0.21 1.56 -1.57 0.00 0.00 179.24 178.87 2hqa h GLN 413 N 0.58 0.50 0.06 3.56 4.20 -1.49 -2.42 115.11 120.11 2hqa h GLN 413 Ca 0.33 -0.05 -0.27 0.00 0.06 0.00 0.00 58.65 58.72 2hqa h GLN 413 Cb 0.33 -0.10 0.02 0.00 0.30 0.00 0.00 27.48 28.02 2hqa h GLN 413 CO -0.25 0.39 -1.12 -0.39 -0.67 0.00 0.00 178.83 176.79 2hqa h VAL 414 N 0.47 1.33 -0.29 -0.54 -1.51 -1.12 -2.37 116.25 112.21 2hqa h VAL 414 Ca 0.13 -2.44 0.05 0.00 -1.23 0.00 0.00 66.70 63.21 2hqa h VAL 414 Cb 0.03 2.56 -0.05 0.00 -2.13 0.00 0.00 31.29 31.69 2hqa h VAL 414 CO -0.02 0.74 -0.03 0.40 -1.23 0.00 0.00 177.57 177.43 2hqa h ILE 415 N 0.29 0.76 -0.62 7.19 2.04 -1.29 0.40 117.51 126.28 2hqa h ILE 415 Ca -0.14 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 65.79 2hqa h ILE 415 Cb 1.78 0.70 -0.11 0.00 -0.74 0.00 0.00 36.82 38.45 2hqa h ILE 415 CO 0.21 0.01 -0.45 -0.08 0.00 0.00 0.00 178.15 177.84 2hqa h GLU 416 N 0.05 -0.20 -0.18 2.37 4.57 -1.29 0.25 114.58 120.14 2hqa h GLU 416 Ca 0.14 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.24 2hqa h GLU 416 Cb 0.20 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2hqa h GLU 416 CO -0.26 -0.13 -0.25 1.25 -1.18 0.00 0.00 179.01 178.43 2hqa h HIS 417 N -0.21 0.61 0.00 0.92 2.76 -0.86 -1.56 115.15 116.81 2hqa h HIS 417 Ca 0.18 -0.20 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 2hqa h HIS 417 Cb 0.56 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 2hqa h HIS 417 CO -0.74 0.89 -0.05 0.28 -1.30 0.00 0.00 177.93 177.02 2hqa h VAL 418 N 0.15 0.41 0.00 5.26 2.07 0.02 -0.34 116.25 123.81 2hqa h VAL 418 Ca 0.02 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2hqa h VAL 418 Cb 0.82 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2hqa h VAL 418 CO 0.06 0.05 -0.56 0.00 0.02 0.00 0.00 177.57 177.13 2hqa h ALA 419 N 1.95 0.71 0.00 1.67 0.00 0.05 -2.31 119.26 121.33 2hqa h ALA 419 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hqa h ALA 419 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2hqa h ALA 419 CO 0.01 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.01 2hqa n ASP 420 N -2.75 0.07 0.00 0.00 10.43 -0.14 -1.81 116.55 122.34 2hqa n ASP 420 Ca 0.02 -0.38 0.00 0.00 2.57 0.00 0.00 54.79 57.00 2hqa n ASP 420 Cb 0.53 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 43.45 2hqa n ASP 420 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 2hqa n TYR 422 N -0.19 0.00 0.00 1.24 4.02 -0.87 -4.98 117.16 116.39 2hqa n TYR 422 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2hqa n TYR 422 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 2hqa n TYR 422 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2hqa n GLY 423 N -0.42 1.78 0.00 2.72 0.00 -0.75 -4.57 105.19 103.95 2hqa n GLY 423 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2hqa n GLY 423 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hqa n ARG 424 N 2.92 0.00 0.00 1.61 5.12 -1.22 -0.82 116.66 124.26 2hqa n ARG 424 Ca 0.00 0.45 0.10 0.00 -1.93 0.00 0.00 57.85 56.47 2hqa n ARG 424 Cb 0.00 -0.70 0.57 0.00 -1.16 0.00 0.00 32.46 31.17 2hqa n ARG 424 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2hqa n ASP 425 N -2.16 0.00 -0.05 0.55 5.75 -1.26 -1.52 116.55 117.86 2hqa n ASP 425 Ca 0.00 -1.20 0.13 0.00 -0.01 0.00 0.00 54.79 53.71 2hqa n ASP 425 Cb 0.00 0.00 0.46 0.00 -1.03 0.00 0.00 41.12 40.55 2hqa n ASP 425 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hqa n ALA 426 N -0.84 2.96 -2.42 2.12 0.00 -0.00 0.58 120.51 122.92 2hqa n ALA 426 Ca 0.15 -0.26 -0.31 0.00 0.00 0.00 0.00 53.44 53.01 2hqa n ALA 426 Cb 0.07 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.10 2hqa n ALA 426 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hqa s VAL 427 N -2.82 2.63 -0.08 0.00 1.01 -0.58 -0.32 120.40 120.25 2hqa s VAL 427 Ca 0.18 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 2hqa s VAL 427 Cb 0.19 -2.03 0.10 0.00 0.00 0.00 0.00 36.38 34.64 2hqa s VAL 427 CO 0.58 0.49 0.85 -0.55 0.00 0.00 0.00 175.10 176.47 2hqa s SER 428 N -0.97 -0.47 0.68 3.32 0.15 -1.14 -4.95 113.70 110.33 2hqa s SER 428 Ca 0.12 0.40 -0.06 0.00 0.70 0.00 0.00 55.95 57.12 2hqa s SER 428 Cb -0.10 0.41 0.05 0.00 -1.71 0.00 0.00 66.02 64.67 2hqa s SER 428 CO 0.02 -0.52 0.99 -1.10 1.20 0.00 0.00 173.24 173.83 2hqa s GLN 429 N -1.66 2.29 -0.11 5.44 -0.21 -1.26 -1.26 119.66 122.89 2hqa s GLN 429 Ca -0.03 -0.28 0.03 0.00 0.02 0.00 0.00 55.36 55.10 2hqa s GLN 429 Cb -0.00 -2.20 -0.01 0.00 1.00 0.00 0.00 33.01 31.80 2hqa s GLN 429 CO 0.01 -1.15 -0.20 0.42 -2.12 0.00 0.00 175.29 172.25 2hqa s ILE 430 N -3.19 2.44 0.75 1.08 1.01 -0.43 -1.84 121.20 121.02 2hqa s ILE 430 Ca 0.59 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 60.22 2hqa s ILE 430 Cb -0.11 -1.97 0.05 0.00 0.01 0.00 0.00 42.46 40.45 2hqa s ILE 430 CO 0.44 0.55 1.18 -0.51 0.00 0.00 0.00 174.94 176.60 2hqa s ILE 431 N 0.32 2.41 0.06 2.92 2.07 -1.15 -0.18 121.20 127.65 2hqa s ILE 431 Ca -0.15 0.19 0.05 0.00 -1.41 0.00 0.00 60.65 59.32 2hqa s ILE 431 Cb -0.17 -2.67 -0.03 0.00 0.13 0.00 0.00 42.46 39.72 2hqa s ILE 431 CO 0.08 -0.12 -0.13 0.42 -1.91 0.00 0.00 174.94 173.27 2hqa s THR 432 N -2.16 1.01 0.04 4.00 -4.23 -1.26 -4.28 115.64 108.75 2hqa s THR 432 Ca 0.72 -1.22 0.04 0.00 -1.18 0.00 0.00 61.69 60.05 2hqa s THR 432 Cb -0.27 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.56 2hqa s THR 432 CO 0.47 -0.22 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.91 2hqa s PHE 433 N -1.23 2.88 -0.02 3.99 0.40 -1.26 -0.38 117.98 122.35 2hqa s PHE 433 Ca -0.03 -0.06 -0.18 0.00 -0.60 0.00 0.00 56.93 56.07 2hqa s PHE 433 Cb -0.10 -1.56 -0.05 0.00 0.51 0.00 0.00 43.02 41.82 2hqa s PHE 433 CO 0.02 0.41 0.49 0.20 0.70 0.00 0.00 175.22 177.04 2hqa s GLY 434 N -1.75 2.51 0.00 4.36 0.00 0.13 -4.81 107.32 107.76 2hqa s GLY 434 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.80 2hqa s GLY 434 CO 0.11 0.51 0.00 -1.30 0.00 0.00 0.00 173.10 172.42 2hqa n THR 435 N 2.56 0.00 -3.83 0.90 -2.24 -1.26 -0.64 114.28 109.77 2hqa n THR 435 Ca -0.10 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.61 2hqa n THR 435 Cb 0.52 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.75 2hqa n THR 435 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hqa s ALA 437 N -2.50 -1.11 0.00 6.98 0.00 -1.26 -4.82 121.76 119.06 2hqa s ALA 437 Ca 0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 51.96 51.48 2hqa s ALA 437 Cb 0.00 0.73 -0.00 0.00 0.00 0.00 0.00 23.12 23.85 2hqa s ALA 437 CO 0.00 -1.02 0.37 0.00 0.00 0.00 0.00 175.76 175.11 2hqa n ALA 438 N -0.54 -0.00 -0.22 0.00 0.00 -1.26 -1.18 120.51 117.31 2hqa n ALA 438 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 2hqa n ALA 438 Cb 0.60 0.18 0.03 0.00 0.00 0.00 0.00 19.45 20.26 2hqa n ALA 438 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2hqa h LYS 439 N 0.00 0.94 -0.27 0.00 1.57 -1.95 -2.81 116.57 114.05 2hqa h LYS 439 Ca 0.00 -0.18 -0.16 0.00 -1.87 0.00 0.00 60.65 58.44 2hqa h LYS 439 Cb 0.00 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 2hqa h LYS 439 CO -0.00 0.81 -0.44 0.00 -0.57 0.00 0.00 179.45 179.25 2hqa h ALA 440 N 1.09 0.42 -0.10 3.86 0.00 -1.87 -2.19 119.26 120.47 2hqa h ALA 440 Ca 0.21 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 2hqa h ALA 440 Cb 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2hqa h ALA 440 CO -0.01 0.55 -0.34 -0.24 0.00 0.00 0.00 179.25 179.21 2hqa h VAL 441 N 0.53 1.27 -0.30 0.00 3.04 -1.06 0.13 116.25 119.87 2hqa h VAL 441 Ca 0.02 -1.32 -0.16 0.00 -1.01 0.00 0.00 66.70 64.23 2hqa h VAL 441 Cb 1.03 1.58 -0.00 0.00 -2.01 0.00 0.00 31.29 31.89 2hqa h VAL 441 CO 0.10 0.39 -0.44 0.40 -1.01 0.00 0.00 177.57 177.02 2hqa h ILE 442 N 0.17 1.29 -0.47 3.17 2.04 -1.41 -0.90 117.51 121.40 2hqa h ILE 442 Ca 0.02 -1.62 0.04 0.00 1.00 0.00 0.00 64.86 64.30 2hqa h ILE 442 Cb 0.69 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 2hqa h ILE 442 CO 0.05 0.53 0.23 -0.09 0.00 0.00 0.00 178.15 178.87 2hqa h ARG 443 N 0.59 0.44 0.23 2.37 9.65 -0.67 -0.80 114.38 126.20 2hqa h ARG 443 Ca 0.03 -0.03 -0.33 0.00 -1.10 0.00 0.00 59.98 58.55 2hqa h ARG 443 Cb 1.04 -0.10 0.03 0.00 -1.39 0.00 0.00 29.97 29.55 2hqa h ARG 443 CO 0.10 0.29 -1.48 -0.44 2.80 0.00 0.00 179.97 181.25 2hqa h ASP 444 N 0.46 0.76 -0.50 -3.80 3.32 -0.76 -2.12 116.42 113.79 2hqa h ASP 444 Ca 0.20 -0.84 -0.10 0.00 0.02 0.00 0.00 57.03 56.31 2hqa h ASP 444 Cb 0.12 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2hqa h ASP 444 CO -0.15 1.66 -0.06 0.58 -1.72 0.00 0.00 179.24 179.56 2hqa h VAL 445 N 0.13 1.26 -0.27 -1.35 2.07 -1.17 -1.90 116.25 115.02 2hqa h VAL 445 Ca -0.25 -1.18 0.05 0.00 0.82 0.00 0.00 66.70 66.14 2hqa h VAL 445 Cb 2.14 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.77 2hqa h VAL 445 CO 0.26 0.42 -0.04 1.23 0.02 0.00 0.00 177.57 179.46 2hqa h GLY 446 N 0.97 0.23 0.59 2.17 0.00 -1.16 0.18 103.07 106.06 2hqa h GLY 446 Ca 0.15 0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.57 2hqa h GLY 446 CO 0.04 -0.08 -0.17 -0.09 0.00 0.00 0.00 176.54 176.24 2hqa h ARG 447 N 0.04 -0.27 -0.86 4.80 2.43 -1.20 -2.04 114.38 117.29 2hqa h ARG 447 Ca 0.13 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 2hqa h ARG 447 Cb 0.19 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 2hqa h ARG 447 CO -0.25 -0.18 0.57 0.28 -1.51 0.00 0.00 179.97 178.88 2hqa h VAL 448 N -0.28 1.20 0.00 0.20 2.07 -0.93 -1.34 116.25 117.17 2hqa h VAL 448 Ca 0.06 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2hqa h VAL 448 Cb 0.35 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2hqa h VAL 448 CO -0.16 0.21 0.00 0.18 0.02 0.00 0.00 177.57 177.81 2hqa n LEU 449 N -4.41 0.00 0.00 2.57 4.77 0.60 -1.43 117.00 119.10 2hqa n LEU 449 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2hqa n LEU 449 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2hqa n LEU 449 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2hqa n GLY 450 N 0.62 0.66 3.84 -0.72 0.00 -0.51 -4.97 105.19 104.12 2hqa n GLY 450 Ca 0.10 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 2hqa n GLY 450 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hqa s HIS 451 N -2.00 3.41 0.63 1.61 3.76 -0.80 -5.03 115.29 116.86 2hqa s HIS 451 Ca 0.00 1.37 -0.12 0.00 -0.15 0.00 0.00 55.06 56.16 2hqa s HIS 451 Cb 0.00 -2.69 -0.03 0.00 1.11 0.00 0.00 32.58 30.97 2hqa s HIS 451 CO 0.00 -0.17 1.03 -1.25 -0.85 0.00 0.00 174.74 173.51 2hqa s PRO 452 N -3.61 3.43 0.19 8.40 0.05 -1.26 -4.49 135.00 137.70 2hqa s PRO 452 Ca 0.57 0.87 -0.19 0.00 0.05 0.00 0.00 61.00 62.30 2hqa s PRO 452 Cb -0.10 -2.06 0.14 0.00 0.05 0.00 0.00 34.50 32.54 2hqa s PRO 452 CO 0.24 -0.70 1.60 -0.92 0.05 0.00 0.00 177.00 177.27 2hqa h TYR 453 N -0.22 -0.73 -0.84 0.56 3.20 -1.97 -2.18 116.97 114.78 2hqa h TYR 453 Ca -0.44 0.06 0.10 0.00 3.14 0.00 0.00 58.73 61.59 2hqa h TYR 453 Cb 1.20 0.40 -0.08 0.00 1.54 0.00 0.00 36.73 39.80 2hqa h TYR 453 CO 0.64 -0.35 0.48 0.78 -1.64 0.00 0.00 178.16 178.07 2hqa h GLY 454 N -0.14 1.33 0.47 1.82 0.00 -1.98 0.25 103.07 104.83 2hqa h GLY 454 Ca 0.24 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 2hqa h GLY 454 CO -0.63 0.11 -0.38 -2.75 0.00 0.00 0.00 176.54 172.89 2hqa h PHE 455 N 0.79 -1.03 -0.97 5.60 3.04 -1.78 -2.83 116.94 119.76 2hqa h PHE 455 Ca 0.41 0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.41 2hqa h PHE 455 Cb 0.41 0.39 -0.06 0.00 2.56 0.00 0.00 35.95 39.25 2hqa h PHE 455 CO -0.06 -0.52 0.63 -0.24 -2.02 0.00 0.00 178.31 176.10 2hqa h VAL 456 N -0.82 1.16 0.00 1.41 3.04 -1.24 -1.92 116.25 117.87 2hqa h VAL 456 Ca -0.06 -0.41 -0.01 0.00 -1.01 0.00 0.00 66.70 65.21 2hqa h VAL 456 Cb 0.69 -0.16 -0.00 0.00 -2.01 0.00 0.00 31.29 29.80 2hqa h VAL 456 CO 0.00 0.22 -0.04 -0.78 -1.01 0.00 0.00 177.57 175.96 2hqa h ASP 457 N 1.21 0.00 -0.68 3.17 3.58 -0.43 -1.47 116.42 121.81 2hqa h ASP 457 Ca 0.39 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.79 2hqa h ASP 457 Cb 0.03 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 2hqa h ASP 457 CO -0.12 0.04 0.22 0.03 -2.88 0.00 0.00 179.24 176.53 2hqa h ARG 458 N 0.00 1.05 -0.33 0.28 3.08 -1.10 -1.52 114.38 115.83 2hqa h ARG 458 Ca -0.00 -0.22 -0.17 0.00 0.07 0.00 0.00 59.98 59.66 2hqa h ARG 458 Cb 0.26 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2hqa h ARG 458 CO 0.01 0.90 -0.46 0.82 -1.07 0.00 0.00 179.97 180.17 2hqa h ILE 459 N 0.98 1.28 -0.32 2.04 2.04 -1.39 -3.24 117.51 118.90 2hqa h ILE 459 Ca 0.22 -1.64 -0.04 0.00 1.00 0.00 0.00 64.86 64.40 2hqa h ILE 459 Cb 0.28 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 2hqa h ILE 459 CO -0.01 0.54 0.02 0.28 0.00 0.00 0.00 178.15 178.98 2hqa h SER 460 N 0.70 0.44 1.02 1.72 0.02 -1.16 -1.93 113.55 114.36 2hqa h SER 460 Ca 0.04 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2hqa h SER 460 Cb 1.05 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.48 2hqa h SER 460 CO 0.11 0.50 0.00 0.11 -1.14 0.00 0.00 176.83 176.40 2hqa h LYS 461 N 0.46 0.00 0.00 3.45 1.57 -1.31 -2.51 116.57 118.23 2hqa h LYS 461 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2hqa h LYS 461 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2hqa h LYS 461 CO 0.01 0.00 -0.15 -0.07 -0.57 0.00 0.00 179.45 178.67 2hqa h LEU 462 N 0.00 0.00 -9.20 2.94 3.38 -1.44 -3.43 115.31 107.57 2hqa h LEU 462 Ca 0.00 -0.01 -0.56 0.00 0.09 0.00 0.00 57.88 57.40 2hqa h LEU 462 Cb 0.51 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2hqa h LEU 462 CO 0.00 0.01 0.90 -0.63 0.09 0.00 0.00 178.44 178.81 2hqa s ILE 463 N -3.20 4.15 0.71 1.22 -1.09 -0.95 -4.84 121.20 117.19 2hqa s ILE 463 Ca 0.07 1.41 -0.16 0.00 -2.23 0.00 0.00 60.65 59.74 2hqa s ILE 463 Cb 0.08 -3.91 0.03 0.00 -1.58 0.00 0.00 42.46 37.07 2hqa s ILE 463 CO 0.67 -0.10 1.21 -2.84 -1.23 0.00 0.00 174.94 172.65 2hqa s PRO 464 N 3.35 2.29 0.00 2.79 0.02 -1.26 -4.95 135.00 137.24 2hqa s PRO 464 Ca 0.58 1.78 0.27 0.00 0.02 0.00 0.00 61.00 63.64 2hqa s PRO 464 Cb -0.24 -1.85 0.87 0.00 0.02 0.00 0.00 34.50 33.30 2hqa s PRO 464 CO 0.18 -1.72 1.65 -0.35 -0.33 0.00 0.00 177.00 176.43 2hqa n PRO 465 N -2.52 0.24 -1.44 5.54 -0.04 -1.26 -4.98 135.00 130.54 2hqa n PRO 465 Ca 0.13 -0.10 -0.49 0.00 -0.04 0.00 0.00 63.50 63.00 2hqa n PRO 465 Cb 0.50 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 2hqa n PRO 465 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2hqa n ASP 466 N -1.29 -0.67 -4.75 3.54 9.92 -1.26 -4.86 116.55 117.18 2hqa n ASP 466 Ca 0.08 1.14 -0.38 0.00 -0.53 0.00 0.00 54.79 55.10 2hqa n ASP 466 Cb 0.33 -1.00 0.04 0.00 -0.64 0.00 0.00 41.12 39.85 2hqa n ASP 466 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2hqa s PRO 467 N -0.93 3.12 -0.05 -0.24 0.04 -1.26 -4.92 135.00 130.76 2hqa s PRO 467 Ca 0.67 2.26 -0.04 0.00 0.04 0.00 0.00 61.00 63.92 2hqa s PRO 467 Cb -0.93 -2.25 0.02 0.00 0.04 0.00 0.00 34.50 31.37 2hqa s PRO 467 CO 0.56 -1.21 0.08 0.41 0.04 0.00 0.00 177.00 176.89 2hqa n GLY 468 N 0.73 -5.60 3.60 0.56 0.00 -1.26 -5.24 105.19 97.98 2hqa n GLY 468 Ca 0.10 0.64 -0.03 0.00 0.00 0.00 0.00 46.02 46.73 2hqa n GLY 468 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2hqa s THR 470 N -0.60 0.00 0.20 2.61 -1.32 -1.26 -5.11 115.64 110.16 2hqa s THR 470 Ca -0.10 -0.08 -0.11 0.00 -1.21 0.00 0.00 61.69 60.19 2hqa s THR 470 Cb 0.01 -1.28 0.13 0.00 -1.51 0.00 0.00 72.50 69.84 2hqa s THR 470 CO 0.26 0.00 1.83 -0.07 -2.21 0.00 0.00 174.62 174.43 2hqa h LEU 471 N 2.00 0.86 -1.06 9.08 3.38 -1.98 -0.76 115.31 126.82 2hqa h LEU 471 Ca -0.16 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.75 2hqa h LEU 471 Cb 1.18 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 2hqa h LEU 471 CO 0.25 0.69 0.63 0.00 0.09 0.00 0.00 178.44 180.10 2hqa h ALA 472 N 1.21 1.35 -0.16 1.53 0.00 -2.02 -0.27 119.26 120.90 2hqa h ALA 472 Ca 0.25 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 2hqa h ALA 472 Cb 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.43 2hqa h ALA 472 CO -0.04 0.58 -0.76 0.87 0.00 0.00 0.00 179.25 179.90 2hqa h LYS 473 N 1.26 0.77 -0.64 0.00 1.57 -1.95 -2.21 116.57 115.37 2hqa h LYS 473 Ca 0.36 -0.62 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 2hqa h LYS 473 Cb -0.08 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2hqa h LYS 473 CO -0.09 1.23 0.31 0.00 -0.57 0.00 0.00 179.45 180.33 2hqa h ALA 474 N 0.60 1.35 0.00 3.86 0.00 -0.71 -0.03 119.26 124.33 2hqa h ALA 474 Ca -0.05 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2hqa h ALA 474 Cb 1.38 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2hqa h ALA 474 CO 0.15 0.51 -0.36 0.74 0.00 0.00 0.00 179.25 180.30 2hqa h PHE 475 N 0.90 0.00 -0.09 0.00 -1.00 -0.92 -1.36 116.94 114.47 2hqa h PHE 475 Ca 0.22 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.96 2hqa h PHE 475 Cb 0.08 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.64 2hqa h PHE 475 CO 0.01 0.36 -0.10 0.93 -1.61 0.00 0.00 178.31 177.90 2hqa h GLU 476 N 0.00 0.22 0.00 1.51 5.08 -0.60 -3.37 114.58 117.42 2hqa h GLU 476 Ca -0.00 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2hqa h GLU 476 Cb 0.70 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 2hqa h GLU 476 CO 0.05 0.66 -0.76 0.00 -1.00 0.00 0.00 179.01 177.95 2hqa h ALA 477 N 0.56 0.63 -3.34 3.43 0.00 -0.91 -3.42 119.26 116.22 2hqa h ALA 477 Ca 0.01 -0.05 -0.64 0.00 0.00 0.00 0.00 54.91 54.24 2hqa h ALA 477 Cb 0.62 0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.02 2hqa h ALA 477 CO 0.02 0.06 -0.67 -2.00 0.00 0.00 0.00 179.25 176.66 2hqa s GLU 478 N -3.30 1.72 0.52 0.00 2.56 -0.53 -4.97 118.70 114.71 2hqa s GLU 478 Ca 0.01 -2.34 0.11 0.00 0.00 0.00 0.00 54.97 52.76 2hqa s GLU 478 Cb 0.08 -3.06 0.59 0.00 2.00 0.00 0.00 34.13 33.75 2hqa s GLU 478 CO 0.76 -1.09 1.26 -1.35 -0.56 0.00 0.00 175.26 174.28 2hqa h PRO 479 N 6.77 0.00 0.00 4.30 0.11 -1.81 0.70 132.00 142.06 2hqa h PRO 479 Ca -0.06 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.94 2hqa h PRO 479 Cb 0.92 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 2hqa h PRO 479 CO 0.62 0.00 -0.51 1.96 -0.21 0.00 0.00 178.00 179.85 2hqa h GLN 480 N 0.00 0.00 0.19 1.05 4.20 -1.93 -3.22 115.11 115.40 2hqa h GLN 480 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2hqa h GLN 480 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2hqa h GLN 480 CO 0.00 0.51 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.51 2hqa h LEU 481 N 0.00 -0.22 -1.27 1.46 4.07 -1.19 -1.69 115.31 116.47 2hqa h LEU 481 Ca -0.01 -0.22 -0.01 0.00 0.08 0.00 0.00 57.88 57.72 2hqa h LEU 481 Cb 1.36 0.06 -0.03 0.00 1.08 0.00 0.00 40.66 43.12 2hqa h LEU 481 CO 0.07 0.11 0.30 -0.65 -1.08 0.00 0.00 178.44 177.18 2hqa h PRO 482 N -0.57 0.80 0.61 1.13 0.11 -1.72 -1.63 132.00 130.73 2hqa h PRO 482 Ca -0.03 -0.09 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 2hqa h PRO 482 Cb 0.42 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 2hqa h PRO 482 CO 0.04 0.60 -0.45 1.49 -0.21 0.00 0.00 178.00 179.48 2hqa h GLU 483 N 0.81 -0.98 0.00 1.05 4.81 -1.51 -0.65 114.58 118.11 2hqa h GLU 483 Ca 0.20 0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.41 2hqa h GLU 483 Cb 0.05 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2hqa h GLU 483 CO -0.03 -0.65 -0.45 0.97 -0.73 0.00 0.00 179.01 178.11 2hqa h ILE 484 N -1.02 1.32 -0.50 2.32 6.09 -1.24 -2.38 117.51 122.11 2hqa h ILE 484 Ca -0.07 -1.55 -0.02 0.00 -1.37 0.00 0.00 64.86 61.84 2hqa h ILE 484 Cb 0.85 1.84 -0.02 0.00 0.47 0.00 0.00 36.82 39.95 2hqa h ILE 484 CO 0.03 0.44 0.21 0.22 -3.07 0.00 0.00 178.15 175.98 2hqa h TYR 485 N 0.00 0.70 -0.05 2.19 3.20 -0.83 0.89 116.97 123.08 2hqa h TYR 485 Ca -0.00 -0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.69 2hqa h TYR 485 Cb 0.80 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 2hqa h TYR 485 CO 0.00 0.54 -0.63 0.93 -1.64 0.00 0.00 178.16 177.36 2hqa h GLU 486 N 0.70 0.19 0.13 1.82 4.39 -0.64 -3.36 114.58 117.82 2hqa h GLU 486 Ca 0.17 -0.14 -0.31 0.00 0.34 0.00 0.00 59.36 59.43 2hqa h GLU 486 Cb 0.13 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2hqa h GLU 486 CO -0.02 0.76 -1.49 0.00 -1.16 0.00 0.00 179.01 177.10 2hqa h ALA 487 N 1.21 0.20 -3.72 3.43 0.00 -0.93 -3.45 119.26 115.99 2hqa h ALA 487 Ca -0.01 -1.05 -0.67 0.00 0.00 0.00 0.00 54.91 53.17 2hqa h ALA 487 Cb 1.14 0.24 -0.36 0.00 0.00 0.00 0.00 17.79 18.81 2hqa h ALA 487 CO 0.09 1.07 -0.80 0.34 0.00 0.00 0.00 179.25 179.96 2hqa s ASP 488 N -7.07 4.34 0.21 0.00 -1.08 0.23 -4.99 116.67 108.30 2hqa s ASP 488 Ca -0.09 -1.28 -0.09 0.00 -0.52 0.00 0.00 52.55 50.57 2hqa s ASP 488 Cb 0.07 -1.56 0.24 0.00 -1.46 0.00 0.00 42.92 40.21 2hqa s ASP 488 CO 0.87 -0.17 1.82 -0.33 0.52 0.00 0.00 175.17 177.87 2hqa h GLU 489 N 7.82 0.70 -0.36 4.34 4.39 -1.87 0.26 114.58 129.87 2hqa h GLU 489 Ca -0.23 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.45 2hqa h GLU 489 Cb 1.06 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.52 2hqa h GLU 489 CO 0.49 0.47 0.19 0.93 -1.16 0.00 0.00 179.01 179.93 2hqa h GLU 490 N 0.73 0.37 -0.17 2.33 5.08 -1.96 0.21 114.58 121.17 2hqa h GLU 490 Ca 0.30 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.58 2hqa h GLU 490 Cb 0.17 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2hqa h GLU 490 CO -0.17 0.25 -0.14 0.28 -1.00 0.00 0.00 179.01 178.22 2hqa h VAL 491 N 0.39 1.19 0.14 3.13 2.07 -1.50 -0.53 116.25 121.14 2hqa h VAL 491 Ca 0.15 -0.85 -0.28 0.00 0.82 0.00 0.00 66.70 66.53 2hqa h VAL 491 Cb 0.04 1.23 0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2hqa h VAL 491 CO -0.09 0.27 -1.26 0.07 0.02 0.00 0.00 177.57 176.57 2hqa h LYS 492 N 0.26 0.30 0.55 1.57 5.09 -0.06 -2.68 116.57 121.60 2hqa h LYS 492 Ca 0.05 -0.51 -0.02 0.00 0.09 0.00 0.00 60.65 60.26 2hqa h LYS 492 Cb 0.41 0.19 -0.02 0.00 0.10 0.00 0.00 32.23 32.91 2hqa h LYS 492 CO 0.02 1.24 -0.48 0.00 -2.09 0.00 0.00 179.45 178.15 2hqa h ALA 493 N 0.54 -1.11 -0.59 0.07 0.00 -0.36 -0.24 119.26 117.57 2hqa h ALA 493 Ca -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2hqa h ALA 493 Cb 1.99 0.67 0.00 0.00 0.00 0.00 0.00 17.79 20.44 2hqa h ALA 493 CO 0.21 -1.16 0.00 -0.11 0.00 0.00 0.00 179.25 178.19 2hqa n LEU 494 N -5.57 0.00 -0.15 0.00 -0.00 -0.23 -2.87 117.00 108.19 2hqa n LEU 494 Ca -0.12 0.29 -0.09 0.00 -0.00 0.00 0.00 56.01 56.08 2hqa n LEU 494 Cb 0.46 -0.10 0.04 0.00 -0.00 0.00 0.00 43.42 43.83 2hqa n LEU 494 CO 0.29 -0.10 0.73 0.40 -0.00 0.00 0.00 177.39 178.71 2hqa h ILE 495 N 0.00 1.27 0.00 1.96 2.04 -1.24 -1.12 117.51 120.42 2hqa h ILE 495 Ca 0.00 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.56 2hqa h ILE 495 Cb 0.00 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2hqa h ILE 495 CO 0.00 0.45 0.00 0.47 0.00 0.00 0.00 178.15 179.07 2hqa n ASP 496 N -4.13 0.00 0.00 1.72 8.00 -0.12 -0.20 116.55 121.82 2hqa n ASP 496 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 2hqa n ASP 496 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 2hqa n ASP 496 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hqa n ALA 498 N -0.18 0.00 0.19 2.24 0.00 -0.43 -3.43 120.51 118.91 2hqa n ALA 498 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2hqa n ALA 498 Cb 0.00 0.00 0.38 0.00 0.00 0.00 0.00 19.45 19.83 2hqa n ALA 498 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hqa h ARG 499 N 0.00 0.00 0.00 0.00 3.08 -0.84 0.21 114.38 116.82 2hqa h ARG 499 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2hqa h ARG 499 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2hqa h ARG 499 CO 0.00 0.36 -0.34 0.87 -1.07 0.00 0.00 179.97 179.79 2hqa h LYS 500 N 0.00 0.00 0.00 0.04 1.79 -1.82 -3.33 116.57 113.25 2hqa h LYS 500 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2hqa h LYS 500 Cb 0.64 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 2hqa h LYS 500 CO 0.05 0.34 -1.74 1.28 -1.08 0.00 0.00 179.45 178.30 2hqa n LEU 501 N -3.19 0.22 -4.66 2.94 7.99 -0.89 -4.92 117.00 114.50 2hqa n LEU 501 Ca 0.03 0.05 -0.55 0.00 -0.01 0.00 0.00 56.01 55.53 2hqa n LEU 501 Cb 0.67 -0.02 -0.06 0.00 -0.11 0.00 0.00 43.42 43.90 2hqa n LEU 501 CO 0.38 -0.03 1.16 1.21 -1.51 0.00 0.00 177.39 178.61 2hqa n GLU 502 N -2.31 1.23 -0.09 3.23 2.13 0.68 -1.58 120.64 123.93 2hqa n GLU 502 Ca -0.03 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.24 2hqa n GLU 502 Cb 0.55 -2.12 0.00 0.00 0.27 0.00 0.00 31.44 30.14 2hqa n GLU 502 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hqa n GLY 503 N 3.52 1.30 3.73 8.31 0.00 -1.26 -5.03 105.19 115.76 2hqa n GLY 503 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 2hqa n GLY 503 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hqa s VAL 504 N -2.57 2.08 -0.14 1.61 1.01 -0.61 -4.84 120.40 116.93 2hqa s VAL 504 Ca 0.00 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 2hqa s VAL 504 Cb 0.00 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 2hqa s VAL 504 CO 0.00 -0.01 0.74 -0.89 0.00 0.00 0.00 175.10 174.94 2hqa s THR 505 N -1.57 4.97 -0.16 3.92 2.01 -1.26 -4.27 115.64 119.27 2hqa s THR 505 Ca 0.80 1.48 0.11 0.00 0.31 0.00 0.00 61.69 64.39 2hqa s THR 505 Cb -0.35 -4.06 -0.18 0.00 0.01 0.00 0.00 72.50 67.92 2hqa s THR 505 CO 0.42 0.13 0.00 -2.11 -0.69 0.00 0.00 174.62 172.37 2hqa n ARG 506 N 4.66 1.24 -3.86 4.92 1.85 0.19 -4.88 116.66 120.78 2hqa n ARG 506 Ca 0.01 0.02 -0.03 0.00 -1.00 0.00 0.00 57.85 56.85 2hqa n ARG 506 Cb 0.50 -1.40 0.01 0.00 -1.05 0.00 0.00 32.46 30.52 2hqa n ARG 506 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2hqa s ASN 507 N -5.14 -0.03 0.44 2.89 2.20 -1.20 -4.86 114.94 109.24 2hqa s ASN 507 Ca -0.12 -0.61 -0.10 0.00 -0.94 0.00 0.00 52.86 51.09 2hqa s ASN 507 Cb 0.05 0.48 -0.06 0.00 -2.00 0.00 0.00 41.25 39.73 2hqa s ASN 507 CO 0.60 -0.95 0.80 0.00 -2.94 0.00 0.00 177.10 174.61 2hqa s ALA 508 N -2.35 3.32 0.46 3.54 0.00 -1.26 0.19 121.76 125.66 2hqa s ALA 508 Ca 0.20 -0.23 -0.21 0.00 0.00 0.00 0.00 51.96 51.73 2hqa s ALA 508 Cb -0.02 -2.73 -0.12 0.00 0.00 0.00 0.00 23.12 20.24 2hqa s ALA 508 CO 0.04 -0.13 0.43 0.41 0.00 0.00 0.00 175.76 176.51 2hqa n GLY 509 N -1.59 -1.79 7.00 0.00 0.00 0.48 -4.65 105.19 104.64 2hqa n GLY 509 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2hqa n GLY 509 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hqa n LYS 510 N 0.61 0.00 -4.01 1.61 4.81 -1.26 -4.94 118.16 114.98 2hqa n LYS 510 Ca 0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.47 2hqa n LYS 510 Cb 0.42 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.38 2hqa n LYS 510 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2hqa s HIS 511 N 0.00 0.40 1.04 5.64 3.76 -1.26 -5.16 115.29 119.72 2hqa s HIS 511 Ca 0.00 -0.90 -0.13 0.00 -0.15 0.00 0.00 55.06 53.88 2hqa s HIS 511 Cb 0.00 -0.27 0.21 0.00 1.11 0.00 0.00 32.58 33.63 2hqa s HIS 511 CO 0.00 -0.45 1.09 0.00 -0.85 0.00 0.00 174.74 174.52 2hqa s ALA 512 N -3.91 0.68 -1.04 -1.40 0.00 -1.26 -4.29 121.76 110.55 2hqa s ALA 512 Ca 0.07 -0.40 0.13 0.00 0.00 0.00 0.00 51.96 51.76 2hqa s ALA 512 Cb 0.07 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 2hqa s ALA 512 CO -0.10 -3.07 0.68 0.41 0.00 0.00 0.00 175.76 173.69 2hqa n GLY 513 N -0.84 -0.11 0.00 0.00 0.00 0.75 -4.89 105.19 100.09 2hqa n GLY 513 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2hqa n GLY 513 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hqa n GLY 514 N 1.06 -1.34 3.48 -0.02 0.00 -1.26 -2.04 105.19 105.08 2hqa n GLY 514 Ca 0.05 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 2hqa n GLY 514 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hqa s VAL 515 N -2.79 3.00 0.09 1.61 -7.23 -0.47 -1.31 120.40 113.30 2hqa s VAL 515 Ca 0.00 -0.96 0.07 0.00 -1.81 0.00 0.00 61.98 59.28 2hqa s VAL 515 Cb 0.00 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 2hqa s VAL 515 CO 0.00 0.44 -0.14 0.54 -0.31 0.00 0.00 175.10 175.63 2hqa s VAL 516 N -0.87 3.11 -0.11 1.32 0.11 -0.39 -0.55 120.40 123.02 2hqa s VAL 516 Ca 0.14 -1.31 0.02 0.00 -2.93 0.00 0.00 61.98 57.91 2hqa s VAL 516 Cb -0.11 -2.42 0.01 0.00 -1.53 0.00 0.00 36.38 32.34 2hqa s VAL 516 CO 0.04 0.16 -0.18 -0.63 -3.33 0.00 0.00 175.10 171.16 2hqa s ILE 517 N -1.13 1.70 0.25 7.04 1.01 0.95 -2.88 121.20 128.13 2hqa s ILE 517 Ca 0.19 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 60.14 2hqa s ILE 517 Cb -0.11 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 2hqa s ILE 517 CO 0.11 0.48 0.08 0.00 0.00 0.00 0.00 174.94 175.61 2hqa s ALA 518 N 0.76 3.35 0.04 9.38 0.00 0.56 -3.37 121.76 132.48 2hqa s ALA 518 Ca -0.11 -1.52 0.33 0.00 0.00 0.00 0.00 51.96 50.66 2hqa s ALA 518 Cb -0.16 -1.02 1.35 0.00 0.00 0.00 0.00 23.12 23.29 2hqa s ALA 518 CO 0.01 0.29 1.96 -1.35 0.00 0.00 0.00 175.76 176.67 2hqa h PRO 519 N 1.82 0.00 0.00 0.00 0.11 -1.77 -3.42 132.00 128.74 2hqa h PRO 519 Ca -0.46 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 2hqa h PRO 519 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2hqa h PRO 519 CO 0.60 0.00 -0.01 0.25 -0.21 0.00 0.00 178.00 178.63 2hqa n THR 520 N -2.97 0.00 -0.03 -1.15 -2.24 -1.26 -4.80 114.28 101.83 2hqa n THR 520 Ca 0.01 -0.49 -0.01 0.00 -2.27 0.00 0.00 64.05 61.29 2hqa n THR 520 Cb 0.29 0.33 -0.00 0.00 -2.10 0.00 0.00 70.33 68.85 2hqa n THR 520 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2hqa n LYS 521 N -0.18 0.00 -0.07 -0.78 5.02 -1.26 -4.20 118.16 116.70 2hqa n LYS 521 Ca -0.01 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.19 2hqa n LYS 521 Cb 0.18 -0.02 0.06 0.00 -0.02 0.00 0.00 35.03 35.23 2hqa n LYS 521 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2hqa h ILE 522 N 0.03 1.28 0.00 -0.18 6.09 -0.14 -2.95 117.51 121.65 2hqa h ILE 522 Ca -0.01 -1.51 0.00 0.00 -1.37 0.00 0.00 64.86 61.97 2hqa h ILE 522 Cb 0.03 1.41 0.00 0.00 0.47 0.00 0.00 36.82 38.73 2hqa h ILE 522 CO 0.01 0.49 0.00 0.71 -3.07 0.00 0.00 178.15 176.30 2hqa h THR 523 N 0.62 0.00 0.00 2.19 1.35 -1.83 0.52 112.91 115.76 2hqa h THR 523 Ca 0.06 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 2hqa h THR 523 Cb 0.89 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2hqa h THR 523 CO 0.08 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.82 2hqa n ASP 524 N -2.49 0.00 0.00 5.36 10.43 -1.11 -4.10 116.55 124.64 2hqa n ASP 524 Ca -0.01 0.48 0.00 0.00 2.57 0.00 0.00 54.79 57.84 2hqa n ASP 524 Cb 0.11 -0.49 0.00 0.00 1.84 0.00 0.00 41.12 42.58 2hqa n ASP 524 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 2hqa n PHE 525 N -1.49 0.00 -3.73 1.24 3.01 0.17 -5.09 117.46 111.57 2hqa n PHE 525 Ca 0.01 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.34 2hqa n PHE 525 Cb 0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.45 2hqa n PHE 525 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hqa s ALA 526 N -1.75 -0.89 0.85 4.37 0.00 -0.61 -5.08 121.76 118.65 2hqa s ALA 526 Ca 0.00 0.41 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 2hqa s ALA 526 Cb 0.00 0.09 0.10 0.00 0.00 0.00 0.00 23.12 23.31 2hqa s ALA 526 CO 0.00 -0.28 1.16 -1.25 0.00 0.00 0.00 175.76 175.38 2hqa s PRO 527 N -1.41 1.62 0.07 0.00 0.05 -1.26 -3.69 135.00 130.37 2hqa s PRO 527 Ca -0.13 0.20 0.04 0.00 0.05 0.00 0.00 61.00 61.16 2hqa s PRO 527 Cb -0.04 -1.90 -0.04 0.00 0.05 0.00 0.00 34.50 32.57 2hqa s PRO 527 CO 0.04 -1.85 0.02 -0.51 0.05 0.00 0.00 177.00 174.75 2hqa s LEU 528 N -5.78 3.57 -0.01 -3.56 1.43 -1.26 -1.25 118.68 111.82 2hqa s LEU 528 Ca 0.63 -0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.70 2hqa s LEU 528 Cb -0.13 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 2hqa s LEU 528 CO 0.51 0.19 -0.24 -0.47 0.23 0.00 0.00 176.35 176.57 2hqa s TYR 529 N -1.29 2.38 0.22 0.29 5.04 0.53 -4.46 117.35 120.05 2hqa s TYR 529 Ca 0.26 -0.40 0.01 0.00 -2.44 0.00 0.00 57.07 54.49 2hqa s TYR 529 Cb -0.12 -1.50 -0.05 0.00 0.35 0.00 0.00 41.96 40.64 2hqa s TYR 529 CO 0.18 0.01 0.09 0.00 -1.34 0.00 0.00 175.55 174.49 2hqa n ASP 531 N -0.34 0.34 -0.26 0.00 5.68 -0.07 -4.87 116.55 117.03 2hqa n ASP 531 Ca -0.01 -1.43 0.31 0.00 -0.50 0.00 0.00 54.79 53.16 2hqa n ASP 531 Cb 0.65 -0.51 0.71 0.00 -1.14 0.00 0.00 41.12 40.83 2hqa n ASP 531 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2hqa h GLU 532 N 0.00 0.05 -0.27 0.11 3.07 -1.89 0.26 114.58 115.91 2hqa h GLU 532 Ca -0.23 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 2hqa h GLU 532 Cb 0.70 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 2hqa h GLU 532 CO 0.19 0.04 0.00 0.39 -1.40 0.00 0.00 179.01 178.22 2hqa n GLU 533 N -4.27 2.08 -1.15 2.33 1.02 -1.26 -0.92 120.64 118.46 2hqa n GLU 533 Ca 0.22 -1.63 -0.05 0.00 -0.02 0.00 0.00 57.16 55.68 2hqa n GLU 533 Cb 1.07 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 31.03 2hqa n GLU 533 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hqa n GLY 534 N 1.29 0.77 3.45 0.62 0.00 0.08 -4.61 105.19 106.80 2hqa n GLY 534 Ca 0.17 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 2hqa n GLY 534 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hqa n LYS 535 N -2.47 0.75 -3.88 1.61 5.02 -1.26 -4.76 118.16 113.17 2hqa n LYS 535 Ca -0.05 -3.09 -0.38 0.00 -2.02 0.00 0.00 58.31 52.76 2hqa n LYS 535 Cb 0.22 0.30 0.03 0.00 -0.02 0.00 0.00 35.03 35.56 2hqa n LYS 535 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2hqa n HIS 536 N -1.69 -1.66 -1.85 2.13 8.25 -1.26 -0.90 115.22 118.24 2hqa n HIS 536 Ca -0.01 0.29 -0.41 0.00 -0.26 0.00 0.00 57.72 57.33 2hqa n HIS 536 Cb 0.56 -3.15 -0.02 0.00 1.12 0.00 0.00 29.99 28.51 2hqa n HIS 536 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2hqa s PRO 537 N -6.67 4.17 0.02 -0.41 0.04 -1.26 -4.50 135.00 126.38 2hqa s PRO 537 Ca 0.46 2.50 -0.03 0.00 0.04 0.00 0.00 61.00 63.96 2hqa s PRO 537 Cb -0.21 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 2hqa s PRO 537 CO 0.91 -0.57 0.04 0.14 0.04 0.00 0.00 177.00 177.56 2hqa s VAL 538 N 0.02 0.11 0.45 -0.36 -7.23 -0.61 -4.08 120.40 108.71 2hqa s VAL 538 Ca 0.62 -0.92 -0.24 0.00 -1.81 0.00 0.00 61.98 59.63 2hqa s VAL 538 Cb -0.46 -0.49 -0.07 0.00 0.56 0.00 0.00 36.38 35.92 2hqa s VAL 538 CO 0.46 -0.51 1.23 0.42 -0.31 0.00 0.00 175.10 176.40 2hqa s THR 539 N -1.76 2.81 -1.05 5.32 -4.23 -0.77 -0.35 115.64 115.62 2hqa s THR 539 Ca -0.13 0.65 0.25 0.00 -1.18 0.00 0.00 61.69 61.28 2hqa s THR 539 Cb -0.07 -3.34 0.24 0.00 1.34 0.00 0.00 72.50 70.67 2hqa s THR 539 CO -0.01 0.03 1.82 0.00 -0.54 0.00 0.00 174.62 175.92 2hqa n GLN 540 N -0.37 0.04 -3.46 3.99 6.02 -0.38 -2.94 117.38 120.28 2hqa n GLN 540 Ca 0.07 0.06 -0.37 0.00 -0.01 0.00 0.00 57.00 56.75 2hqa n GLN 540 Cb 0.46 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.16 2hqa n GLN 540 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2hqa s PHE 541 N -2.95 3.49 0.93 1.08 2.99 -1.26 -4.31 117.98 117.94 2hqa s PHE 541 Ca 0.14 0.71 -0.16 0.00 0.00 0.00 0.00 56.93 57.62 2hqa s PHE 541 Cb 0.17 -2.41 0.22 0.00 0.00 0.00 0.00 43.02 41.00 2hqa s PHE 541 CO 0.46 0.23 1.17 -0.40 -0.00 0.00 0.00 175.22 176.67 2hqa n ASP 542 N 3.56 -0.30 0.00 1.36 5.68 -1.26 -4.32 116.55 121.27 2hqa n ASP 542 Ca -0.10 -1.38 0.00 0.00 -0.50 0.00 0.00 54.79 52.81 2hqa n ASP 542 Cb 0.52 -0.92 0.00 0.00 -1.14 0.00 0.00 41.12 39.57 2hqa n ASP 542 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2hqa n LYS 543 N -3.74 0.00 0.31 0.11 5.02 -1.26 0.67 118.16 119.26 2hqa n LYS 543 Ca 0.15 0.77 -0.17 0.00 -2.02 0.00 0.00 58.31 57.04 2hqa n LYS 543 Cb 0.53 -1.17 -0.09 0.00 -0.02 0.00 0.00 35.03 34.28 2hqa n LYS 543 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2hqa h SER 544 N 0.00 -0.98 -1.06 4.39 4.64 -1.97 -1.88 113.55 116.69 2hqa h SER 544 Ca 0.00 0.07 0.29 0.00 -0.47 0.00 0.00 61.79 61.67 2hqa h SER 544 Cb 0.00 0.30 -0.11 0.00 -0.31 0.00 0.00 62.40 62.29 2hqa h SER 544 CO 0.00 -0.57 0.67 0.44 -0.87 0.00 0.00 176.83 176.50 2hqa h ASP 545 N -0.89 0.47 0.00 4.97 3.32 -1.79 -1.02 116.42 121.49 2hqa h ASP 545 Ca -0.06 0.11 -0.24 0.00 0.02 0.00 0.00 57.03 56.86 2hqa h ASP 545 Cb 0.74 0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.34 2hqa h ASP 545 CO 0.03 0.04 -0.91 1.62 -1.72 0.00 0.00 179.24 178.30 2hqa h VAL 546 N 0.39 1.30 -0.01 -1.35 3.04 0.81 -2.00 116.25 118.42 2hqa h VAL 546 Ca 0.64 -2.16 0.00 0.00 -1.01 0.00 0.00 66.70 64.17 2hqa h VAL 546 Cb 1.59 2.21 -0.00 0.00 -2.01 0.00 0.00 31.29 33.08 2hqa h VAL 546 CO -0.37 0.67 -0.02 -0.08 -1.01 0.00 0.00 177.57 176.76 2hqa h GLU 547 N 0.42 -0.02 -0.06 4.17 4.57 -0.49 -2.23 114.58 120.94 2hqa h GLU 547 Ca -0.09 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.11 2hqa h GLU 547 Cb 1.55 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 30.14 2hqa h GLU 547 CO 0.18 -0.02 0.08 -0.92 -1.18 0.00 0.00 179.01 177.15 2hqa h TYR 548 N -0.02 0.00 0.00 0.92 3.20 -1.09 1.66 116.97 121.64 2hqa h TYR 548 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2hqa h TYR 548 Cb 0.03 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2hqa h TYR 548 CO -0.49 0.00 0.00 0.00 -1.64 0.00 0.00 178.16 176.03 2hqa n ALA 549 N -2.27 2.24 -1.49 1.82 0.00 -0.77 -0.62 120.51 119.42 2hqa n ALA 549 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2hqa n ALA 549 Cb 0.17 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2hqa n ALA 549 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hqa n GLY 550 N 0.65 0.78 3.89 0.00 0.00 0.57 -4.74 105.19 106.34 2hqa n GLY 550 Ca 0.13 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 2hqa n GLY 550 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hqa s LEU 551 N 0.00 4.30 0.08 0.99 1.43 -0.85 -0.77 118.68 123.86 2hqa s LEU 551 Ca 0.00 0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 53.10 2hqa s LEU 551 Cb 0.00 -2.63 -0.06 0.00 0.03 0.00 0.00 46.19 43.53 2hqa s LEU 551 CO 0.00 0.25 1.19 -0.69 0.23 0.00 0.00 176.35 177.33 2hqa s VAL 552 N -1.34 4.00 0.08 -1.59 1.01 -1.22 -4.34 120.40 117.00 2hqa s VAL 552 Ca 0.28 1.47 0.03 0.00 0.00 0.00 0.00 61.98 63.76 2hqa s VAL 552 Cb -0.13 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2hqa s VAL 552 CO 0.20 0.13 -0.08 -1.59 0.00 0.00 0.00 175.10 173.75 2hqa s LYS 553 N 0.88 0.76 -0.13 2.72 -2.85 -1.26 -0.04 119.74 119.83 2hqa s LYS 553 Ca 0.58 -1.11 -0.01 0.00 -1.00 0.00 0.00 55.97 54.42 2hqa s LYS 553 Cb -0.30 -0.37 0.04 0.00 -2.06 0.00 0.00 37.83 35.14 2hqa s LYS 553 CO 0.30 0.04 -0.03 -0.06 0.10 0.00 0.00 175.35 175.70 2hqa s PHE 554 N -2.55 1.24 0.64 1.78 2.99 0.28 -4.76 117.98 117.61 2hqa s PHE 554 Ca 0.04 -0.69 -0.14 0.00 0.00 0.00 0.00 56.93 56.14 2hqa s PHE 554 Cb -0.02 -1.10 -0.01 0.00 0.00 0.00 0.00 43.02 41.89 2hqa s PHE 554 CO -0.01 -0.50 1.07 -0.51 -0.00 0.00 0.00 175.22 175.27 2hqa s ASP 555 N 1.79 5.42 0.09 1.36 1.11 -1.07 -1.36 116.67 124.01 2hqa s ASP 555 Ca 0.03 1.83 -0.23 0.00 0.18 0.00 0.00 52.55 54.36 2hqa s ASP 555 Cb -0.14 -2.53 -0.07 0.00 1.07 0.00 0.00 42.92 41.25 2hqa s ASP 555 CO -0.07 -1.42 0.69 -0.36 1.18 0.00 0.00 175.17 175.19 2hqa s PHE 556 N -2.57 3.81 -0.02 4.23 2.99 -0.87 -2.57 117.98 122.99 2hqa s PHE 556 Ca 0.63 1.43 -0.02 0.00 0.00 0.00 0.00 56.93 58.98 2hqa s PHE 556 Cb -0.17 -2.67 0.00 0.00 0.00 0.00 0.00 43.02 40.18 2hqa s PHE 556 CO 0.43 0.47 0.04 -0.51 -0.00 0.00 0.00 175.22 175.65 2hqa s LEU 557 N -0.78 1.83 -1.26 -0.37 1.43 0.88 -4.89 118.68 115.52 2hqa s LEU 557 Ca 0.34 0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 53.39 2hqa s LEU 557 Cb -0.21 0.15 0.14 0.00 0.03 0.00 0.00 46.19 46.31 2hqa s LEU 557 CO 0.22 -0.02 1.64 0.61 0.23 0.00 0.00 176.35 179.03 2hqa n GLY 558 N 3.06 3.60 2.94 -3.19 0.00 -1.26 -3.46 105.19 106.88 2hqa n GLY 558 Ca -0.12 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.70 2hqa n GLY 558 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hqa s LEU 559 N 1.72 4.66 0.25 0.99 1.98 -1.26 -4.94 118.68 122.07 2hqa s LEU 559 Ca 0.44 -3.46 0.20 0.00 -2.89 0.00 0.00 54.13 48.42 2hqa s LEU 559 Cb 0.02 -1.66 0.96 0.00 0.66 0.00 0.00 46.19 46.17 2hqa s LEU 559 CO 0.01 -0.16 1.60 -2.11 -1.89 0.00 0.00 176.35 173.80 2hqa n ARG 560 N 2.52 0.14 -0.00 1.98 -4.01 -1.26 -3.53 116.66 112.49 2hqa n ARG 560 Ca 0.13 0.53 -0.11 0.00 -1.04 0.00 0.00 57.85 57.36 2hqa n ARG 560 Cb 0.34 -1.86 -0.06 0.00 -3.04 0.00 0.00 32.46 27.84 2hqa n ARG 560 CO 0.00 0.00 0.00 1.15 -3.04 0.00 0.00 177.63 175.74 2hqa h THR 561 N 0.00 1.09 0.00 8.89 2.02 -2.00 -0.25 112.91 122.66 2hqa h THR 561 Ca 0.00 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 2hqa h THR 561 Cb 0.14 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2hqa h THR 561 CO 0.00 0.08 -0.09 -0.07 0.37 0.00 0.00 175.52 175.81 2hqa h LEU 562 N 0.05 0.00 -0.36 2.58 -0.00 -1.91 -2.28 115.31 113.38 2hqa h LEU 562 Ca 0.03 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.72 2hqa h LEU 562 Cb 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.74 2hqa h LEU 562 CO -0.00 0.09 -0.73 0.74 -0.00 0.00 0.00 178.44 178.53 2hqa h THR 563 N 0.00 1.36 0.70 0.22 2.02 -1.63 -1.73 112.91 113.85 2hqa h THR 563 Ca -0.00 -2.09 -0.03 0.00 0.77 0.00 0.00 66.41 65.05 2hqa h THR 563 Cb 0.75 2.07 0.01 0.00 -1.74 0.00 0.00 68.15 69.23 2hqa h THR 563 CO 0.01 0.64 -0.33 0.40 0.37 0.00 0.00 175.52 176.60 2hqa h ILE 564 N 0.34 0.19 -0.89 3.11 2.04 -0.73 -1.65 117.51 119.91 2hqa h ILE 564 Ca -0.03 -0.22 0.23 0.00 1.00 0.00 0.00 64.86 65.83 2hqa h ILE 564 Cb 1.32 0.24 -0.13 0.00 -0.74 0.00 0.00 36.82 37.50 2hqa h ILE 564 CO 0.13 0.02 0.33 0.40 0.00 0.00 0.00 178.15 179.03 2hqa h ILE 565 N -1.12 0.40 -0.05 -0.67 2.04 -1.48 0.17 117.51 116.80 2hqa h ILE 565 Ca -0.10 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.69 2hqa h ILE 565 Cb 0.75 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 2hqa h ILE 565 CO 0.16 0.06 -0.17 -1.13 0.00 0.00 0.00 178.15 177.06 2hqa h ASN 566 N 0.31 -0.52 0.10 1.72 -0.00 -1.15 -1.59 115.58 114.44 2hqa h ASN 566 Ca 0.56 0.08 -0.00 0.00 -0.00 0.00 0.00 56.30 56.94 2hqa h ASN 566 Cb 1.11 0.23 0.00 0.00 -0.00 0.00 0.00 38.32 39.66 2hqa h ASN 566 CO -0.59 -0.23 -0.05 -0.50 -0.00 0.00 0.00 177.43 176.07 2hqa h TRP 567 N -0.26 -0.12 -0.73 0.67 6.55 0.25 -1.02 115.95 121.30 2hqa h TRP 567 Ca 0.07 -0.00 0.16 0.00 0.95 0.00 0.00 58.89 60.07 2hqa h TRP 567 Cb 0.36 0.04 -0.04 0.00 -0.86 0.00 0.00 29.16 28.65 2hqa h TRP 567 CO -0.25 0.13 0.49 0.00 -1.05 0.00 0.00 178.44 177.77 2hqa h ALA 568 N 0.51 2.25 -0.22 1.49 0.00 -1.19 -1.49 119.26 120.62 2hqa h ALA 568 Ca -0.01 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2hqa h ALA 568 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2hqa h ALA 568 CO 0.02 -0.45 -0.62 1.25 0.00 0.00 0.00 179.25 179.44 2hqa h LEU 569 N 0.30 0.87 -1.30 0.00 7.12 -0.27 0.15 115.31 122.19 2hqa h LEU 569 Ca 0.36 -0.50 0.00 0.00 0.13 0.00 0.00 57.88 57.86 2hqa h LEU 569 Cb 0.96 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 40.84 2hqa h LEU 569 CO -0.09 1.28 0.00 -0.62 -0.13 0.00 0.00 178.44 178.88 2hqa n GLU 570 N -3.97 0.13 0.00 1.25 1.02 -0.48 -0.76 120.64 117.83 2hqa n GLU 570 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2hqa n GLU 570 Cb 0.66 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 2hqa n GLU 570 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2hqa n ILE 572 N 0.58 0.00 0.22 -3.67 5.41 0.53 -0.86 119.36 121.58 2hqa n ILE 572 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.84 2hqa n ILE 572 Cb 0.04 0.00 0.49 0.00 -0.71 0.00 0.00 39.64 39.47 2hqa n ILE 572 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2hqa h ASN 573 N 0.00 0.00 0.80 4.38 2.35 -1.20 -2.55 115.58 119.37 2hqa h ASN 573 Ca 0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 2hqa h ASN 573 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2hqa h ASN 573 CO 0.00 0.25 -0.78 0.11 -1.65 0.00 0.00 177.43 175.36 2hqa h LYS 574 N 0.00 0.00 0.00 0.81 1.57 -1.25 -2.88 116.57 114.82 2hqa h LYS 574 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hqa h LYS 574 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2hqa h LYS 574 CO 0.03 0.78 0.00 -0.09 -0.57 0.00 0.00 179.45 179.60 2hqa h ARG 575 N 0.00 0.00 -0.63 3.15 2.43 -1.72 -2.09 114.38 115.52 2hqa h ARG 575 Ca -0.01 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2hqa h ARG 575 Cb 1.39 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.91 2hqa h ARG 575 CO 0.10 0.00 0.24 -0.09 -1.51 0.00 0.00 179.97 178.72 2hqa h ARG 576 N 0.00 0.94 -0.83 0.20 2.43 -1.35 -1.58 114.38 114.19 2hqa h ARG 576 Ca 0.00 -0.17 0.08 0.00 -0.81 0.00 0.00 59.98 59.08 2hqa h ARG 576 Cb 0.37 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.71 2hqa h ARG 576 CO 0.00 0.80 0.54 0.00 -1.51 0.00 0.00 179.97 179.80 2hqa h ALA 577 N 1.10 1.66 -0.03 2.80 0.00 -1.44 0.43 119.26 123.78 2hqa h ALA 577 Ca 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2hqa h ALA 577 Cb 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2hqa h ALA 577 CO -0.02 0.19 -0.07 -0.22 0.00 0.00 0.00 179.25 179.13 2hqa h LYS 578 N 0.85 0.10 0.00 0.00 1.63 -1.63 -3.43 116.57 114.09 2hqa h LYS 578 Ca 0.37 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.10 2hqa h LYS 578 Cb 0.34 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 2hqa h LYS 578 CO -0.14 0.68 0.00 -1.71 -3.45 0.00 0.00 179.45 174.83 2hqa n ASN 579 N -4.70 0.00 -1.30 4.20 2.85 -0.51 -5.09 115.26 110.71 2hqa n ASN 579 Ca -0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 2hqa n ASN 579 Cb 0.35 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.37 2hqa n ASN 579 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2hqa n GLY 580 N 3.38 -1.52 2.50 8.20 0.00 0.14 -5.01 105.19 112.88 2hqa n GLY 580 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 46.02 45.74 2hqa n GLY 580 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2hqa n GLU 581 N -0.21 -4.77 -0.90 1.61 2.13 -1.26 -5.10 120.64 112.14 2hqa n GLU 581 Ca 0.00 3.53 -0.28 0.00 0.66 0.00 0.00 57.16 61.06 2hqa n GLU 581 Cb 0.00 -4.79 0.22 0.00 0.27 0.00 0.00 31.44 27.13 2hqa n GLU 581 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2hqa s PRO 582 N -0.62 -0.40 0.68 5.31 0.04 -1.26 -4.80 135.00 133.95 2hqa s PRO 582 Ca -0.16 0.55 -0.11 0.00 0.04 0.00 0.00 61.00 61.32 2hqa s PRO 582 Cb 0.01 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.91 2hqa s PRO 582 CO 0.43 -3.30 1.06 -2.14 0.04 0.00 0.00 177.00 173.09 2hqa s PRO 583 N -4.80 3.02 0.24 0.56 0.02 -1.26 -4.95 135.00 127.83 2hqa s PRO 583 Ca 0.67 0.94 -0.20 0.00 0.02 0.00 0.00 61.00 62.43 2hqa s PRO 583 Cb -0.20 -2.00 -0.08 0.00 0.02 0.00 0.00 34.50 32.23 2hqa s PRO 583 CO 0.60 -1.04 0.75 -1.17 -0.33 0.00 0.00 177.00 175.82 2hqa s LEU 584 N -5.48 4.32 -0.32 -5.54 0.20 -1.26 -5.05 118.68 105.54 2hqa s LEU 584 Ca 0.58 1.45 0.03 0.00 0.69 0.00 0.00 54.13 56.88 2hqa s LEU 584 Cb -0.14 -3.68 0.09 0.00 -0.43 0.00 0.00 46.19 42.03 2hqa s LEU 584 CO 0.54 0.00 0.02 -0.62 -0.29 0.00 0.00 176.35 176.01 2hqa s ASP 585 N -1.70 4.75 0.12 3.68 3.68 -1.26 -4.94 116.67 121.00 2hqa s ASP 585 Ca 0.45 -1.88 0.04 0.00 2.13 0.00 0.00 52.55 53.28 2hqa s ASP 585 Cb -0.16 -1.64 0.20 0.00 -1.45 0.00 0.00 42.92 39.87 2hqa s ASP 585 CO 0.21 -0.34 0.88 0.00 0.13 0.00 0.00 175.17 176.05 2hqa n ILE 586 N 4.36 0.72 0.03 4.11 0.13 -1.26 0.23 119.36 127.69 2hqa n ILE 586 Ca -0.03 0.59 -0.03 0.00 -1.10 0.00 0.00 62.75 62.18 2hqa n ILE 586 Cb 0.42 -1.59 -0.09 0.00 -0.84 0.00 0.00 39.64 37.54 2hqa n ILE 586 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2hqa h ALA 587 N 0.88 0.65 0.00 1.51 0.00 -1.98 -3.24 119.26 117.08 2hqa h ALA 587 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.93 2hqa h ALA 587 Cb 0.66 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2hqa h ALA 587 CO 0.00 1.12 0.00 0.00 0.00 0.00 0.00 179.25 180.37 2hqa n ALA 588 N -2.41 2.62 -1.66 0.00 0.00 0.63 -4.84 120.51 114.84 2hqa n ALA 588 Ca -0.09 -0.17 -0.48 0.00 0.00 0.00 0.00 53.44 52.70 2hqa n ALA 588 Cb 0.90 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.86 2hqa n ALA 588 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2hqa n ILE 589 N -0.95 0.19 -2.51 0.00 2.08 -1.22 -4.96 119.36 111.98 2hqa n ILE 589 Ca 0.21 -0.03 -0.40 0.00 0.56 0.00 0.00 62.75 63.08 2hqa n ILE 589 Cb 0.09 -1.50 -0.04 0.00 -0.75 0.00 0.00 39.64 37.44 2hqa n ILE 589 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2hqa s PRO 590 N 1.95 4.65 -0.07 0.38 0.04 -1.26 -4.92 135.00 135.76 2hqa s PRO 590 Ca 0.85 1.76 0.13 0.00 0.04 0.00 0.00 61.00 63.78 2hqa s PRO 590 Cb -0.75 -3.17 0.51 0.00 0.04 0.00 0.00 34.50 31.13 2hqa s PRO 590 CO 0.45 0.23 1.39 1.28 0.04 0.00 0.00 177.00 180.39 2hqa n LEU 591 N 1.17 3.47 -2.95 -3.56 4.77 -1.26 -4.09 117.00 114.55 2hqa n LEU 591 Ca -0.01 -1.75 -0.23 0.00 -0.03 0.00 0.00 56.01 53.99 2hqa n LEU 591 Cb 0.45 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2hqa n LEU 591 CO 0.53 0.62 0.02 -0.90 -1.33 0.00 0.00 177.39 176.33 2hqa n ASP 592 N 0.78 3.19 -4.50 -1.43 5.75 -1.26 -4.00 116.55 115.08 2hqa n ASP 592 Ca 0.18 -3.42 -0.42 0.00 -0.01 0.00 0.00 54.79 51.12 2hqa n ASP 592 Cb 0.65 -0.57 -0.10 0.00 -1.03 0.00 0.00 41.12 40.07 2hqa n ASP 592 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2hqa s ASP 593 N -3.14 6.14 0.17 -1.12 2.15 -1.26 -4.97 116.67 114.64 2hqa s ASP 593 Ca 0.45 -0.57 -0.14 0.00 0.43 0.00 0.00 52.55 52.71 2hqa s ASP 593 Cb 0.33 -2.18 0.10 0.00 -0.30 0.00 0.00 42.92 40.87 2hqa s ASP 593 CO -0.12 -0.40 1.77 0.50 -0.17 0.00 0.00 175.17 176.75 2hqa h LYS 594 N 8.58 0.39 -0.21 4.34 3.64 -1.97 -0.12 116.57 131.22 2hqa h LYS 594 Ca -0.29 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 2hqa h LYS 594 Cb 1.13 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 2hqa h LYS 594 CO 0.71 0.26 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.91 2hqa h LYS 595 N 0.40 0.32 0.00 1.90 3.11 -1.99 0.26 116.57 120.57 2hqa h LYS 595 Ca 0.19 -0.05 -0.24 0.00 -2.81 0.00 0.00 60.65 57.74 2hqa h LYS 595 Cb 0.13 -0.05 0.01 0.00 -1.00 0.00 0.00 32.23 31.31 2hqa h LYS 595 CO -0.16 0.36 -0.97 0.77 -2.81 0.00 0.00 179.45 176.64 2hqa h SER 596 N 0.31 0.62 0.23 4.20 0.02 -1.70 -3.30 113.55 113.93 2hqa h SER 596 Ca 0.07 -0.50 -0.19 0.00 -0.84 0.00 0.00 61.79 60.32 2hqa h SER 596 Cb 0.24 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 2hqa h SER 596 CO 0.01 1.30 -0.76 -0.26 -1.14 0.00 0.00 176.83 175.98 2hqa h PHE 597 N 0.27 0.60 0.00 3.45 -1.00 -0.37 -0.98 116.94 118.91 2hqa h PHE 597 Ca -0.09 -0.28 0.00 0.00 2.81 0.00 0.00 57.97 60.41 2hqa h PHE 597 Cb 1.61 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 41.09 2hqa h PHE 597 CO 0.07 1.05 0.00 -0.25 -1.61 0.00 0.00 178.31 177.57 2hqa n ASP 598 N -3.83 0.00 0.00 2.17 8.00 0.85 -0.28 116.55 123.46 2hqa n ASP 598 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2hqa n ASP 598 Cb 0.73 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 2hqa n ASP 598 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2hqa n LEU 600 N 0.48 0.00 0.08 0.64 7.94 -0.37 -1.09 117.00 124.68 2hqa n LEU 600 Ca 0.00 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.01 2hqa n LEU 600 Cb 0.00 0.00 0.58 0.00 0.53 0.00 0.00 43.42 44.53 2hqa n LEU 600 CO 0.00 0.00 1.14 1.56 -1.11 0.00 0.00 177.39 178.98 2hqa h GLN 601 N 0.00 0.18 0.00 1.96 4.20 -0.92 0.66 115.11 121.19 2hqa h GLN 601 Ca 0.00 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2hqa h GLN 601 Cb 0.00 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 2hqa h GLN 601 CO 0.00 0.12 -0.07 0.00 -0.67 0.00 0.00 178.83 178.21 2hqa h ARG 602 N 0.19 0.00 -1.13 1.46 3.08 -1.36 -3.43 114.38 113.18 2hqa h ARG 602 Ca 0.15 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 2hqa h ARG 602 Cb 0.36 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.42 2hqa h ARG 602 CO -0.02 0.07 -0.12 0.45 -1.07 0.00 0.00 179.97 179.28 2hqa n SER 603 N -3.22 -2.35 -3.63 7.04 2.88 0.23 -4.98 113.62 109.60 2hqa n SER 603 Ca 0.00 -0.04 -0.41 0.00 -1.33 0.00 0.00 58.87 57.09 2hqa n SER 603 Cb 0.33 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 2hqa n SER 603 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2hqa n GLU 604 N -1.42 4.42 -1.03 -1.46 1.02 -1.26 -4.76 120.64 116.15 2hqa n GLU 604 Ca -0.03 -3.66 -0.16 0.00 -0.02 0.00 0.00 57.16 53.29 2hqa n GLU 604 Cb 0.53 -2.69 0.20 0.00 -0.02 0.00 0.00 31.44 29.46 2hqa n GLU 604 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2hqa n THR 605 N 1.95 2.85 -2.01 2.62 -2.24 -1.26 -4.93 114.28 111.26 2hqa n THR 605 Ca 0.53 -1.60 -0.42 0.00 -2.27 0.00 0.00 64.05 60.29 2hqa n THR 605 Cb 0.28 -0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 68.00 2hqa n THR 605 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2hqa s THR 606 N -2.84 2.78 -1.29 4.28 2.01 -1.26 -2.53 115.64 116.80 2hqa s THR 606 Ca 0.50 0.59 0.00 0.00 0.31 0.00 0.00 61.69 63.09 2hqa s THR 606 Cb 0.41 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.54 2hqa s THR 606 CO 0.11 0.06 0.00 0.00 -0.69 0.00 0.00 174.62 174.10 2hqa n ALA 607 N 3.43 -0.24 -3.78 7.40 0.00 -1.26 -5.02 120.51 121.04 2hqa n ALA 607 Ca 0.11 0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.40 2hqa n ALA 607 Cb 0.40 -1.47 -0.16 0.00 0.00 0.00 0.00 19.45 18.22 2hqa n ALA 607 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2hqa s VAL 608 N -2.51 2.41 0.07 0.00 -7.23 -1.05 -4.92 120.40 107.17 2hqa s VAL 608 Ca 0.00 -0.84 -0.37 0.00 -1.81 0.00 0.00 61.98 58.97 2hqa s VAL 608 Cb 0.00 -2.02 -0.19 0.00 0.56 0.00 0.00 36.38 34.73 2hqa s VAL 608 CO 0.00 0.52 1.01 0.33 -0.31 0.00 0.00 175.10 176.65 2hqa n PHE 609 N 4.41 0.61 0.00 2.82 -0.00 -1.26 -3.29 117.46 120.75 2hqa n PHE 609 Ca -0.20 0.95 0.00 0.00 -0.00 0.00 0.00 57.45 58.20 2hqa n PHE 609 Cb 0.51 -2.12 0.00 0.00 -0.00 0.00 0.00 39.48 37.87 2hqa n PHE 609 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 2hqa n GLN 610 N 1.55 0.00 -0.23 -4.13 6.02 -1.26 -4.59 117.38 114.74 2hqa n GLN 610 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 2hqa n GLN 610 Cb 0.14 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.40 2hqa n GLN 610 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 2hqa n LEU 611 N 0.00 3.15 -0.99 1.08 -0.00 -1.21 -3.65 117.00 115.38 2hqa n LEU 611 Ca 0.00 -1.45 0.11 0.00 -0.00 0.00 0.00 56.01 54.67 2hqa n LEU 611 Cb 0.00 -0.64 0.15 0.00 -0.00 0.00 0.00 43.42 42.94 2hqa n LEU 611 CO 0.00 0.58 0.64 -1.84 -0.00 0.00 0.00 177.39 176.77 2hqa n GLU 612 N 1.34 2.25 -0.63 1.47 0.28 -1.21 -4.47 120.64 119.67 2hqa n GLU 612 Ca 0.00 -2.04 -0.25 0.00 -0.16 0.00 0.00 57.16 54.71 2hqa n GLU 612 Cb 0.34 -1.45 0.22 0.00 1.43 0.00 0.00 31.44 31.98 2hqa n GLU 612 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2hqa n SER 613 N 1.31 -2.57 0.05 -1.84 3.41 -1.24 -4.89 113.62 107.86 2hqa n SER 613 Ca 0.16 -0.94 -0.03 0.00 -0.26 0.00 0.00 58.87 57.80 2hqa n SER 613 Cb 0.56 -0.83 -0.01 0.00 -0.26 0.00 0.00 64.21 63.67 2hqa n SER 613 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2hqa h ARG 614 N 0.00 -0.17 -1.86 4.33 -0.00 -1.96 -3.28 114.38 111.44 2hqa h ARG 614 Ca -0.34 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.15 2hqa h ARG 614 Cb 1.06 0.04 0.00 0.00 0.00 0.00 0.00 29.97 31.07 2hqa h ARG 614 CO 0.21 -0.11 0.00 0.41 0.00 0.00 0.00 179.97 180.48 2hqa n GLY 615 N 1.04 0.11 0.64 0.04 0.00 -1.26 -2.91 105.19 102.84 2hqa n GLY 615 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2hqa n GLY 615 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hqa n LYS 617 N 1.15 0.00 -0.68 1.61 5.02 -1.24 -2.75 118.16 121.28 2hqa n LYS 617 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 2hqa n LYS 617 Cb 0.00 0.00 0.28 0.00 -0.02 0.00 0.00 35.03 35.29 2hqa n LYS 617 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2hqa n ASP 618 N 0.00 4.36 0.00 4.39 9.92 -1.15 -2.56 116.55 131.51 2hqa n ASP 618 Ca 0.00 -2.72 0.00 0.00 -0.53 0.00 0.00 54.79 51.54 2hqa n ASP 618 Cb 0.00 -0.65 0.00 0.00 -0.64 0.00 0.00 41.12 39.83 2hqa n ASP 618 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2hqa n LEU 619 N 0.34 0.00 0.36 0.64 4.32 -1.11 -4.04 117.00 117.51 2hqa n LEU 619 Ca 0.22 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 56.03 2hqa n LEU 619 Cb 0.98 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.69 2hqa n LEU 619 CO 0.26 0.00 0.60 0.40 -1.22 0.00 0.00 177.39 177.43 2hqa h ILE 620 N 0.00 0.19 -0.41 -0.08 2.04 -1.85 -2.57 117.51 114.84 2hqa h ILE 620 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 2hqa h ILE 620 Cb 0.38 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 2hqa h ILE 620 CO 0.00 0.00 0.13 0.11 0.00 0.00 0.00 178.15 178.39 2hqa h LYS 621 N -0.99 0.27 0.00 2.37 1.57 -1.77 1.07 116.57 119.09 2hqa h LYS 621 Ca -0.08 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2hqa h LYS 621 Cb 0.80 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2hqa h LYS 621 CO 0.09 0.18 0.00 -2.13 -0.57 0.00 0.00 179.45 177.02 2hqa n ARG 622 N -5.03 0.36 0.00 3.15 0.63 -1.16 -3.49 116.66 111.11 2hqa n ARG 622 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 2hqa n ARG 622 Cb 0.16 -1.27 0.00 0.00 0.45 0.00 0.00 32.46 31.80 2hqa n ARG 622 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2hqa n LEU 623 N -0.77 0.00 -3.01 6.15 -0.00 -0.98 -4.95 117.00 113.44 2hqa n LEU 623 Ca 0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.96 2hqa n LEU 623 Cb 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.45 2hqa n LEU 623 CO 0.03 0.00 -0.32 0.00 -0.00 0.00 0.00 177.39 177.11 2hqa n GLN 624 N -0.02 -2.18 -2.54 1.47 1.13 0.37 -4.92 117.38 110.68 2hqa n GLN 624 Ca 0.00 1.90 -0.42 0.00 -1.94 0.00 0.00 57.00 56.54 2hqa n GLN 624 Cb 0.00 -3.82 -0.03 0.00 0.11 0.00 0.00 30.24 26.50 2hqa n GLN 624 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 2hqa s PRO 625 N -1.90 4.38 0.00 -1.09 0.02 -1.26 -4.95 135.00 130.20 2hqa s PRO 625 Ca 0.14 1.57 0.18 0.00 0.02 0.00 0.00 61.00 62.91 2hqa s PRO 625 Cb -0.03 -3.54 -0.06 0.00 0.02 0.00 0.00 34.50 30.89 2hqa s PRO 625 CO 0.62 -0.39 0.88 -0.40 -0.33 0.00 0.00 177.00 177.38 2hqa n ASP 626 N 5.08 1.50 -4.12 2.53 3.85 -1.26 -4.68 116.55 119.44 2hqa n ASP 626 Ca 0.10 -1.25 -0.20 0.00 -0.71 0.00 0.00 54.79 52.73 2hqa n ASP 626 Cb 0.47 0.62 -0.09 0.00 -1.35 0.00 0.00 41.12 40.77 2hqa n ASP 626 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2hqa h PHE 628 N 2.16 0.27 0.00 0.00 3.57 -1.96 -3.29 116.94 117.69 2hqa h PHE 628 Ca -0.35 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 2hqa h PHE 628 Cb 1.25 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 2hqa h PHE 628 CO 0.96 0.79 -0.09 1.49 -2.23 0.00 0.00 178.31 179.23 2hqa h GLU 629 N 0.15 0.00 -2.25 1.11 4.22 -1.93 -2.70 114.58 113.18 2hqa h GLU 629 Ca -0.01 0.00 -0.76 0.00 0.08 0.00 0.00 59.36 58.66 2hqa h GLU 629 Cb 1.16 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.11 2hqa h GLU 629 CO 0.10 0.09 0.70 -0.40 -2.18 0.00 0.00 179.01 177.32 2hqa n ASP 630 N -3.57 6.79 0.00 1.04 3.85 -1.24 -3.60 116.55 119.82 2hqa n ASP 630 Ca -0.02 -3.69 0.00 0.00 -0.71 0.00 0.00 54.79 50.37 2hqa n ASP 630 Cb 0.22 -1.04 0.00 0.00 -1.35 0.00 0.00 41.12 38.95 2hqa n ASP 630 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 2hqa n ILE 632 N -0.11 0.00 0.17 2.12 5.41 -1.02 -2.36 119.36 123.57 2hqa n ILE 632 Ca 0.44 0.00 0.17 0.00 1.00 0.00 0.00 62.75 64.36 2hqa n ILE 632 Cb 0.29 0.00 0.78 0.00 -0.71 0.00 0.00 39.64 40.00 2hqa n ILE 632 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2hqa h ALA 633 N 0.00 1.96 0.01 -1.39 0.00 -1.86 -3.32 119.26 114.66 2hqa h ALA 633 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2hqa h ALA 633 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2hqa h ALA 633 CO 0.00 -0.33 -0.43 -0.07 0.00 0.00 0.00 179.25 178.41 2hqa h LEU 634 N 0.00 -1.33 -2.02 0.00 3.38 -1.82 -2.21 115.31 111.30 2hqa h LEU 634 Ca 0.11 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2hqa h LEU 634 Cb 0.54 0.51 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2hqa h LEU 634 CO -0.00 -0.42 -0.08 1.62 0.09 0.00 0.00 178.44 179.65 2hqa h VAL 635 N -0.55 0.35 -0.01 1.22 3.04 -1.91 0.15 116.25 118.55 2hqa h VAL 635 Ca 0.01 -0.43 -0.12 0.00 -1.01 0.00 0.00 66.70 65.15 2hqa h VAL 635 Cb 0.58 1.31 -0.02 0.00 -2.01 0.00 0.00 31.29 31.16 2hqa h VAL 635 CO -0.29 0.07 -0.55 0.00 -1.01 0.00 0.00 177.57 175.79 2hqa h ALA 636 N 1.92 1.08 0.00 3.17 0.00 -1.61 -3.33 119.26 120.50 2hqa h ALA 636 Ca -0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 2hqa h ALA 636 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2hqa h ALA 636 CO 0.01 0.69 -0.56 -0.07 0.00 0.00 0.00 179.25 179.32 2hqa h LEU 637 N 0.01 0.00 -7.39 0.00 3.38 -0.55 -3.40 115.31 107.37 2hqa h LEU 637 Ca -0.01 -0.66 -0.38 0.00 0.09 0.00 0.00 57.88 56.93 2hqa h LEU 637 Cb 0.98 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.81 2hqa h LEU 637 CO 0.07 1.15 0.97 0.33 0.09 0.00 0.00 178.44 181.06 2hqa n PHE 638 N -4.55 0.67 -3.77 1.13 7.35 -0.64 -4.69 117.46 112.96 2hqa n PHE 638 Ca -0.18 -0.57 -0.13 0.00 -0.76 0.00 0.00 57.45 55.80 2hqa n PHE 638 Cb 0.52 -1.61 -0.09 0.00 0.35 0.00 0.00 39.48 38.65 2hqa n PHE 638 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2hqa s ARG 639 N 7.31 0.58 0.23 -4.13 0.52 -1.26 -4.93 118.95 117.27 2hqa s ARG 639 Ca 0.72 -0.06 -0.07 0.00 -0.52 0.00 0.00 55.73 55.81 2hqa s ARG 639 Cb 0.07 0.26 0.33 0.00 0.52 0.00 0.00 34.95 36.13 2hqa s ARG 639 CO 0.26 -0.14 1.80 -1.00 0.02 0.00 0.00 175.30 176.23 2hqa h PRO 640 N 4.32 0.67 0.25 3.54 0.13 -1.96 -3.29 132.00 135.67 2hqa h PRO 640 Ca -0.29 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 2hqa h PRO 640 Cb 1.18 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2hqa h PRO 640 CO 0.38 0.45 -0.12 0.78 -0.23 0.00 0.00 178.00 179.25 2hqa h GLY 641 N 0.69 -0.35 0.28 1.56 0.00 -1.97 -2.30 103.07 100.98 2hqa h GLY 641 Ca 0.35 0.13 0.14 0.00 0.00 0.00 0.00 47.33 47.95 2hqa h GLY 641 CO -0.24 -0.13 0.44 -2.55 0.00 0.00 0.00 176.54 174.07 2hqa h PRO 642 N -0.63 0.63 0.00 4.80 0.11 -1.86 -2.37 132.00 132.68 2hqa h PRO 642 Ca -0.03 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.92 2hqa h PRO 642 Cb 0.45 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 2hqa h PRO 642 CO 0.06 0.42 -0.60 -0.07 -0.21 0.00 0.00 178.00 177.60 2hqa h LEU 643 N 0.65 0.00 -0.57 2.35 3.38 -1.63 -2.19 115.31 117.30 2hqa h LEU 643 Ca 0.45 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.47 2hqa h LEU 643 Cb 0.60 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 2hqa h LEU 643 CO -0.34 0.56 0.31 -0.61 0.09 0.00 0.00 178.44 178.45 2hqa h GLN 644 N 0.00 0.58 0.16 1.13 -0.00 -0.89 -2.99 115.11 113.09 2hqa h GLN 644 Ca -0.01 -0.03 -0.30 0.00 -0.00 0.00 0.00 58.65 58.30 2hqa h GLN 644 Cb 1.44 -0.13 0.03 0.00 0.00 0.00 0.00 27.48 28.82 2hqa h GLN 644 CO 0.07 0.38 -1.29 0.66 0.00 0.00 0.00 178.83 178.66 2hqa h SER 645 N 0.59 0.85 0.00 -0.69 4.64 -1.56 -3.52 113.55 113.88 2hqa h SER 645 Ca 0.25 -0.86 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 2hqa h SER 645 Cb 0.13 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2hqa h SER 645 CO -0.16 1.63 0.00 0.61 -0.87 0.00 0.00 176.83 178.04 2hqa n GLY 646 N 1.48 0.24 1.94 -0.77 0.00 -0.82 -5.13 105.19 102.14 2hqa n GLY 646 Ca -0.15 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2hqa n GLY 646 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hqa n VAL 648 N 0.22 0.00 -0.09 1.61 0.31 -1.25 -4.29 118.33 114.84 2hqa n VAL 648 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 2hqa n VAL 648 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2hqa n VAL 648 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2hqa h ASP 649 N 0.00 -0.36 0.07 4.52 3.45 -1.96 -1.49 116.42 120.64 2hqa h ASP 649 Ca 0.00 0.11 -0.01 0.00 0.43 0.00 0.00 57.03 57.56 2hqa h ASP 649 Cb 0.00 0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 38.99 2hqa h ASP 649 CO 0.00 -0.13 -0.04 0.78 -1.57 0.00 0.00 179.24 178.29 2hqa h ASN 650 N -0.03 0.00 0.09 6.45 2.35 -2.00 -3.08 115.58 119.36 2hqa h ASN 650 Ca 0.16 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2hqa h ASN 650 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2hqa h ASN 650 CO -0.35 0.04 -0.04 0.15 -1.65 0.00 0.00 177.43 175.57 2hqa h PHE 651 N 0.00 -0.11 -0.73 1.19 3.04 -1.67 -2.80 116.94 115.86 2hqa h PHE 651 Ca -0.00 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 2hqa h PHE 651 Cb 0.08 0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.59 2hqa h PHE 651 CO 0.00 0.42 0.37 -0.84 -2.02 0.00 0.00 178.31 176.24 2hqa h ILE 652 N -0.89 1.23 -0.46 1.41 3.07 -1.33 0.18 117.51 120.71 2hqa h ILE 652 Ca -0.01 -0.61 -0.08 0.00 1.55 0.00 0.00 64.86 65.70 2hqa h ILE 652 Cb 0.57 0.27 -0.02 0.00 -0.27 0.00 0.00 36.82 37.38 2hqa h ILE 652 CO 0.02 0.26 -0.05 0.44 -1.05 0.00 0.00 178.15 177.78 2hqa h ASP 653 N 1.03 0.77 0.49 2.16 3.32 -1.69 -3.26 116.42 119.24 2hqa h ASP 653 Ca 0.26 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2hqa h ASP 653 Cb 0.08 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2hqa h ASP 653 CO -0.04 0.87 0.00 -1.14 -1.72 0.00 0.00 179.24 177.21 2hqa n ARG 654 N -4.19 0.19 0.00 3.56 0.63 0.61 -1.77 116.66 115.69 2hqa n ARG 654 Ca 0.02 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 2hqa n ARG 654 Cb 0.33 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.74 2hqa n ARG 654 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2hqa n LYS 655 N -1.36 0.00 -0.20 -0.14 4.81 -1.08 -4.42 118.16 115.78 2hqa n LYS 655 Ca 0.08 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.49 2hqa n LYS 655 Cb 0.19 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.22 2hqa n LYS 655 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2hqa n HIS 656 N 0.00 -0.10 -0.88 5.64 -0.00 -1.26 -4.97 115.22 113.65 2hqa n HIS 656 Ca 0.00 0.61 0.00 0.00 -0.00 0.00 0.00 57.72 58.33 2hqa n HIS 656 Cb 0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 29.99 29.38 2hqa n HIS 656 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2hqa n GLY 657 N -1.18 3.66 0.00 -1.41 0.00 -0.73 -4.96 105.19 100.57 2hqa n GLY 657 Ca 0.03 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2hqa n GLY 657 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hqa n ARG 658 N 0.00 0.00 0.00 1.61 0.63 -1.12 -4.99 116.66 112.79 2hqa n ARG 658 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2hqa n ARG 658 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2hqa n ARG 658 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2hqa n GLU 659 N 0.00 2.74 -4.37 -0.14 0.28 -1.14 -4.91 120.64 113.11 2hqa n GLU 659 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.72 2hqa n GLU 659 Cb 0.00 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.75 2hqa n GLU 659 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2hqa s GLU 660 N 2.20 1.59 -0.10 3.44 2.12 -1.26 -4.64 118.70 122.05 2hqa s GLU 660 Ca 0.00 -1.34 -0.26 0.00 0.36 0.00 0.00 54.97 53.73 2hqa s GLU 660 Cb 0.00 -1.97 -0.02 0.00 0.26 0.00 0.00 34.13 32.40 2hqa s GLU 660 CO 0.00 0.44 0.83 0.42 -0.54 0.00 0.00 175.26 176.42 2hqa s ILE 661 N -1.29 4.92 0.00 -3.70 1.01 -1.26 -4.99 121.20 115.89 2hqa s ILE 661 Ca 0.18 1.69 -0.09 0.00 0.00 0.00 0.00 60.65 62.42 2hqa s ILE 661 Cb -0.10 -4.16 0.01 0.00 0.01 0.00 0.00 42.46 38.23 2hqa s ILE 661 CO 0.09 0.12 0.19 -0.94 0.00 0.00 0.00 174.94 174.40 2hqa s SER 662 N 1.01 -0.02 -0.66 3.58 1.04 -1.26 -5.09 113.70 112.30 2hqa s SER 662 Ca 0.41 -0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.73 2hqa s SER 662 Cb -0.18 0.24 0.18 0.00 0.10 0.00 0.00 66.02 66.36 2hqa s SER 662 CO 0.18 -0.42 0.50 -1.22 0.98 0.00 0.00 173.24 173.25 2hqa n TYR 663 N 1.28 2.64 -0.09 5.02 4.02 -1.26 -4.47 117.16 124.30 2hqa n TYR 663 Ca -0.22 -4.15 -0.10 0.00 -0.01 0.00 0.00 57.90 53.42 2hqa n TYR 663 Cb 0.56 -0.49 -0.04 0.00 -0.02 0.00 0.00 39.34 39.36 2hqa n TYR 663 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2hqa n PRO 664 N 1.97 0.52 -1.58 -0.72 -0.05 -1.24 -1.31 135.00 132.58 2hqa n PRO 664 Ca 0.22 0.31 -0.30 0.00 -0.05 0.00 0.00 63.50 63.68 2hqa n PRO 664 Cb 0.38 -1.51 0.07 0.00 -0.05 0.00 0.00 33.50 32.38 2hqa n PRO 664 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 2hqa s ASP 665 N -6.04 5.01 0.17 3.54 2.15 -0.27 -4.83 116.67 116.40 2hqa s ASP 665 Ca -0.26 1.46 -0.15 0.00 0.43 0.00 0.00 52.55 54.02 2hqa s ASP 665 Cb 0.05 -2.27 0.14 0.00 -0.30 0.00 0.00 42.92 40.53 2hqa s ASP 665 CO 0.39 -1.66 1.68 0.58 -0.17 0.00 0.00 175.17 175.99 2hqa h VAL 666 N -0.87 0.63 0.00 1.11 2.07 -1.97 -3.25 116.25 113.96 2hqa h VAL 666 Ca -0.45 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2hqa h VAL 666 Cb 1.24 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2hqa h VAL 666 CO 0.58 0.01 -0.34 -0.61 0.02 0.00 0.00 177.57 177.24 2hqa h GLN 667 N 0.07 0.00 -5.85 1.57 4.15 -2.03 -3.46 115.11 109.56 2hqa h GLN 667 Ca 0.22 0.00 -0.39 0.00 0.77 0.00 0.00 58.65 59.24 2hqa h GLN 667 Cb 0.32 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.97 2hqa h GLN 667 CO -0.39 0.00 1.01 -1.58 -1.93 0.00 0.00 178.83 175.94 2hqa s TRP 668 N -1.85 1.80 0.06 3.99 0.51 -1.23 -4.89 118.94 117.33 2hqa s TRP 668 Ca -0.10 0.60 -0.10 0.00 -2.12 0.00 0.00 56.10 54.38 2hqa s TRP 668 Cb 0.01 -4.11 0.01 0.00 -0.81 0.00 0.00 33.47 28.57 2hqa s TRP 668 CO 0.15 -1.98 0.23 -1.14 -0.51 0.00 0.00 176.95 173.69 2hqa s GLN 669 N 6.89 0.77 0.19 4.98 0.74 -1.26 -1.12 119.66 130.86 2hqa s GLN 669 Ca 0.67 -0.69 -0.01 0.00 0.05 0.00 0.00 55.36 55.38 2hqa s GLN 669 Cb -0.09 0.32 -0.04 0.00 1.10 0.00 0.00 33.01 34.31 2hqa s GLN 669 CO 0.07 -0.24 0.10 -1.58 -0.55 0.00 0.00 175.29 173.09 2hqa s HIS 670 N -2.96 1.13 -0.16 1.67 2.46 -0.43 -4.94 115.29 112.06 2hqa s HIS 670 Ca -0.02 -1.30 0.15 0.00 0.47 0.00 0.00 55.06 54.36 2hqa s HIS 670 Cb 0.01 -0.59 -0.24 0.00 -0.13 0.00 0.00 32.58 31.63 2hqa s HIS 670 CO -0.06 -0.55 0.20 -1.91 -2.47 0.00 0.00 174.74 169.96 2hqa n GLU 671 N -0.24 0.67 0.18 2.88 4.07 -1.26 -3.97 120.64 122.97 2hqa n GLU 671 Ca -0.01 0.09 0.14 0.00 -0.06 0.00 0.00 57.16 57.32 2hqa n GLU 671 Cb 0.65 -1.59 0.60 0.00 -0.06 0.00 0.00 31.44 31.04 2hqa n GLU 671 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2hqa h SER 672 N 0.00 0.00 0.00 4.31 4.64 -1.96 -0.44 113.55 120.11 2hqa h SER 672 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2hqa h SER 672 Cb 2.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.25 2hqa h SER 672 CO 0.03 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.17 2hqa n LEU 673 N -2.47 0.15 0.00 5.97 4.32 -1.25 -4.49 117.00 119.22 2hqa n LEU 673 Ca 0.01 -0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 2hqa n LEU 673 Cb 0.20 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 2hqa n LEU 673 CO 0.19 0.04 0.27 0.29 -1.22 0.00 0.00 177.39 176.96 2hqa n LYS 674 N -0.39 0.00 0.24 3.23 5.02 -0.18 -3.28 118.16 122.80 2hqa n LYS 674 Ca 0.00 0.51 0.15 0.00 -2.02 0.00 0.00 58.31 56.96 2hqa n LYS 674 Cb 0.04 -1.04 0.57 0.00 -0.02 0.00 0.00 35.03 34.58 2hqa n LYS 674 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2hqa h PRO 675 N 0.00 0.00 0.00 1.97 0.11 -1.87 -3.02 132.00 129.19 2hqa h PRO 675 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 2hqa h PRO 675 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2hqa h PRO 675 CO 0.00 0.00 -0.18 0.28 -0.21 0.00 0.00 178.00 177.89 2hqa h VAL 676 N 0.00 0.35 0.00 3.15 2.07 -1.86 -3.35 116.25 116.61 2hqa h VAL 676 Ca 0.00 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.26 2hqa h VAL 676 Cb 0.57 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2hqa h VAL 676 CO 0.00 0.18 0.00 0.18 0.02 0.00 0.00 177.57 177.95 2hqa n LEU 677 N -3.20 0.08 -0.09 2.57 4.77 -1.17 -4.80 117.00 115.16 2hqa n LEU 677 Ca 0.02 -0.43 -0.07 0.00 -0.03 0.00 0.00 56.01 55.50 2hqa n LEU 677 Cb 0.52 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 2hqa n LEU 677 CO 0.34 0.02 0.68 -0.33 -1.33 0.00 0.00 177.39 176.77 2hqa h GLU 678 N 0.00 -0.21 -0.21 3.23 4.39 -1.67 -1.45 114.58 118.66 2hqa h GLU 678 Ca 0.00 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.77 2hqa h GLU 678 Cb 0.01 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2hqa h GLU 678 CO 0.00 -0.14 0.18 -1.00 -1.16 0.00 0.00 179.01 176.89 2hqa h PRO 679 N -0.22 0.00 -0.32 2.33 0.13 -1.87 -2.30 132.00 129.75 2hqa h PRO 679 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2hqa h PRO 679 Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 2hqa h PRO 679 CO -0.47 0.00 0.00 -2.37 -0.23 0.00 0.00 178.00 174.93 2hqa n THR 680 N -4.14 2.25 -2.34 1.56 5.66 -0.61 -4.73 114.28 111.93 2hqa n THR 680 Ca 0.02 -1.73 -0.18 0.00 -3.05 0.00 0.00 64.05 59.10 2hqa n THR 680 Cb 0.32 -0.19 -0.01 0.00 -1.55 0.00 0.00 70.33 68.89 2hqa n THR 680 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2hqa n TYR 681 N -0.23 -1.05 0.00 1.09 4.02 -0.82 -3.30 117.16 116.86 2hqa n TYR 681 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.11 2hqa n TYR 681 Cb 0.90 -3.56 0.00 0.00 -0.02 0.00 0.00 39.34 36.66 2hqa n TYR 681 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2hqa n GLY 682 N -0.90 3.12 3.68 2.72 0.00 -0.81 -4.68 105.19 108.32 2hqa n GLY 682 Ca -0.21 -0.87 -0.44 0.00 0.00 0.00 0.00 46.02 44.50 2hqa n GLY 682 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hqa n ILE 683 N 0.00 1.15 -2.22 -0.61 -0.00 -1.21 -4.55 119.36 111.92 2hqa n ILE 683 Ca 0.00 -0.29 -0.42 0.00 -0.00 0.00 0.00 62.75 62.05 2hqa n ILE 683 Cb 0.00 -1.54 -0.03 0.00 -0.00 0.00 0.00 39.64 38.07 2hqa n ILE 683 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 2hqa s ILE 684 N -0.24 3.66 -0.18 1.39 1.01 -1.26 -4.78 121.20 120.79 2hqa s ILE 684 Ca 0.65 0.59 -0.03 0.00 0.00 0.00 0.00 60.65 61.87 2hqa s ILE 684 Cb -0.62 -4.09 -0.22 0.00 0.01 0.00 0.00 42.46 37.54 2hqa s ILE 684 CO 0.52 -0.83 0.12 -0.11 0.00 0.00 0.00 174.94 174.63 2hqa n LEU 685 N 10.17 2.77 -4.55 2.97 -0.00 -1.26 -4.86 117.00 122.24 2hqa n LEU 685 Ca 0.17 0.07 -0.24 0.00 -0.00 0.00 0.00 56.01 56.01 2hqa n LEU 685 Cb 0.49 -1.03 -0.09 0.00 -0.00 0.00 0.00 43.42 42.78 2hqa n LEU 685 CO 0.70 0.89 -0.39 -0.31 -0.00 0.00 0.00 177.39 178.27 2hqa s TYR 686 N -2.54 2.45 0.05 1.96 2.02 -1.26 -2.87 117.35 117.16 2hqa s TYR 686 Ca -0.28 -0.36 -0.21 0.00 -0.37 0.00 0.00 57.07 55.85 2hqa s TYR 686 Cb 0.08 -1.21 -0.13 0.00 -0.40 0.00 0.00 41.96 40.30 2hqa s TYR 686 CO 0.70 0.62 1.46 1.96 -1.57 0.00 0.00 175.55 178.73 2hqa h GLN 687 N 2.05 0.26 -1.01 -0.62 4.20 -1.57 -2.76 115.11 115.66 2hqa h GLN 687 Ca -0.42 -0.09 0.39 0.00 0.06 0.00 0.00 58.65 58.59 2hqa h GLN 687 Cb 1.25 -0.02 -0.17 0.00 0.30 0.00 0.00 27.48 28.84 2hqa h GLN 687 CO 0.63 0.52 0.56 0.93 -0.67 0.00 0.00 178.83 180.79 2hqa h GLU 688 N -0.02 0.09 0.00 1.46 3.07 -1.94 0.50 114.58 117.75 2hqa h GLU 688 Ca 0.04 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.81 2hqa h GLU 688 Cb 0.41 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 2hqa h GLU 688 CO 0.01 0.06 -0.68 1.96 -1.40 0.00 0.00 179.01 178.96 2hqa h GLN 689 N 0.09 0.00 -1.22 2.33 4.20 -1.88 -2.28 115.11 116.35 2hqa h GLN 689 Ca 0.82 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.53 2hqa h GLN 689 Cb 2.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.87 2hqa h GLN 689 CO -0.72 0.27 0.00 1.55 -0.67 0.00 0.00 178.83 179.26 2hqa n VAL 690 N -3.04 1.12 0.00 -0.54 3.14 0.18 -1.81 118.33 117.38 2hqa n VAL 690 Ca -0.00 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 2hqa n VAL 690 Cb 0.69 -1.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.40 2hqa n VAL 690 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2hqa n GLN 692 N 0.70 0.00 0.20 1.45 6.02 -0.86 -3.74 117.38 121.15 2hqa n GLN 692 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.09 2hqa n GLN 692 Cb 0.47 0.00 0.13 0.00 1.02 0.00 0.00 30.24 31.87 2hqa n GLN 692 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 177.06 175.21 2hqa h ILE 693 N 0.00 0.15 -0.38 5.09 3.07 -1.66 -2.13 117.51 121.65 2hqa h ILE 693 Ca 0.00 -1.22 -0.13 0.00 1.55 0.00 0.00 64.86 65.06 2hqa h ILE 693 Cb 0.00 2.04 -0.01 0.00 -0.27 0.00 0.00 36.82 38.58 2hqa h ILE 693 CO 0.00 0.09 -0.27 0.00 -1.05 0.00 0.00 178.15 176.91 2hqa h ALA 694 N 1.91 0.54 -0.61 0.16 0.00 -1.84 -2.95 119.26 116.48 2hqa h ALA 694 Ca -0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 2hqa h ALA 694 Cb 1.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2hqa h ALA 694 CO 0.01 0.56 0.05 0.37 0.00 0.00 0.00 179.25 180.24 2hqa h GLN 695 N 0.66 1.02 0.00 0.00 4.15 -1.74 -0.17 115.11 119.03 2hqa h GLN 695 Ca 0.07 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.21 2hqa h GLN 695 Cb 0.85 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.43 2hqa h GLN 695 CO 0.07 0.97 -1.63 1.33 -1.93 0.00 0.00 178.83 177.64 2hqa n VAL 696 N -4.20 0.00 -0.07 2.39 0.24 -0.83 -2.34 118.33 113.51 2hqa n VAL 696 Ca 0.04 -0.34 -0.12 0.00 -2.04 0.00 0.00 64.34 61.88 2hqa n VAL 696 Cb 0.31 0.22 -0.09 0.00 -1.47 0.00 0.00 33.84 32.81 2hqa n VAL 696 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2hqa h LEU 697 N 0.00 0.00 0.00 1.34 6.46 -1.63 -3.42 115.31 118.05 2hqa h LEU 697 Ca 0.00 -0.57 -0.04 0.00 -0.12 0.00 0.00 57.88 57.15 2hqa h LEU 697 Cb 0.69 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 2hqa h LEU 697 CO 0.00 0.98 -1.73 -1.20 -0.62 0.00 0.00 178.44 175.87 2hqa n SER 698 N -4.61 1.54 -1.49 1.25 7.64 -0.77 -4.59 113.62 112.59 2hqa n SER 698 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2hqa n SER 698 Cb 0.40 1.56 0.00 0.00 -1.01 0.00 0.00 64.21 65.16 2hqa n SER 698 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hqa n GLY 699 N 1.72 -0.31 3.92 0.23 0.00 -0.15 -4.46 105.19 106.14 2hqa n GLY 699 Ca -0.06 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 2hqa n GLY 699 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hqa s TYR 700 N -2.90 3.48 -2.00 1.61 1.51 -1.20 -4.95 117.35 112.90 2hqa s TYR 700 Ca 0.00 0.40 0.04 0.00 -1.01 0.00 0.00 57.07 56.49 2hqa s TYR 700 Cb 0.00 -1.90 0.21 0.00 -0.11 0.00 0.00 41.96 40.16 2hqa s TYR 700 CO 0.00 0.34 0.74 -2.37 -1.11 0.00 0.00 175.55 173.15 2hqa n THR 701 N -0.70 0.00 0.00 -0.71 5.66 -1.26 -4.60 114.28 112.67 2hqa n THR 701 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 2hqa n THR 701 Cb 0.54 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.99 2hqa n THR 701 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2hqa n LEU 702 N -0.60 0.00 -0.14 1.09 4.77 -1.26 -4.45 117.00 116.41 2hqa n LEU 702 Ca 0.03 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.97 2hqa n LEU 702 Cb 0.01 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 2hqa n LEU 702 CO 0.02 0.00 0.77 1.23 -1.33 0.00 0.00 177.39 178.08 2hqa h GLY 703 N 0.00 0.31 1.43 -0.72 0.00 -1.93 0.32 103.07 102.48 2hqa h GLY 703 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.45 2hqa h GLY 703 CO 0.00 -0.17 0.16 -1.33 0.00 0.00 0.00 176.54 175.20 2hqa h GLY 704 N -0.01 0.78 1.69 4.60 0.00 -1.91 -3.08 103.07 105.13 2hqa h GLY 704 Ca 0.22 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 2hqa h GLY 704 CO -0.47 0.38 -0.39 0.00 0.00 0.00 0.00 176.54 176.06 2hqa h ALA 705 N 1.47 1.04 0.00 3.60 0.00 -1.54 -2.62 119.26 121.21 2hqa h ALA 705 Ca 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2hqa h ALA 705 Cb 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2hqa h ALA 705 CO -0.01 0.60 0.00 -3.47 0.00 0.00 0.00 179.25 176.37 2hqa n ASP 706 N -4.04 0.63 0.00 0.00 4.64 0.10 -2.36 116.55 115.52 2hqa n ASP 706 Ca -0.01 -0.45 0.00 0.00 -1.38 0.00 0.00 54.79 52.95 2hqa n ASP 706 Cb 0.48 -0.11 0.00 0.00 -1.04 0.00 0.00 41.12 40.45 2hqa n ASP 706 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 2hqa n LEU 708 N 0.84 0.00 -0.31 -2.67 7.94 -0.99 -2.92 117.00 118.89 2hqa n LEU 708 Ca 0.00 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.96 2hqa n LEU 708 Cb 0.11 0.00 0.21 0.00 0.53 0.00 0.00 43.42 44.26 2hqa n LEU 708 CO 0.00 0.00 1.14 -0.09 -1.11 0.00 0.00 177.39 177.33 2hqa h ARG 709 N 0.00 0.74 0.00 1.96 2.43 -1.77 -0.55 114.38 117.19 2hqa h ARG 709 Ca 0.00 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 2hqa h ARG 709 Cb 0.00 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2hqa h ARG 709 CO 0.00 0.49 -0.32 0.00 -1.51 0.00 0.00 179.97 178.63 2hqa h ARG 710 N 0.76 0.00 -1.30 0.20 3.08 -1.82 -1.55 114.38 113.76 2hqa h ARG 710 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.49 2hqa h ARG 710 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2hqa h ARG 710 CO -0.30 0.32 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 2hqa n ALA 711 N -2.26 2.10 0.00 0.04 0.00 -0.22 0.82 120.51 121.00 2hqa n ALA 711 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hqa n ALA 711 Cb 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2hqa n ALA 711 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hqa n GLY 713 N 0.64 0.00 2.67 0.00 0.00 -0.58 -2.35 105.19 105.56 2hqa n GLY 713 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2hqa n GLY 713 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hqa n LYS 714 N 0.00 4.19 -1.54 1.61 5.02 0.24 -4.96 118.16 122.72 2hqa n LYS 714 Ca 0.00 -3.55 -0.34 0.00 -2.02 0.00 0.00 58.31 52.40 2hqa n LYS 714 Cb 0.00 -2.75 -0.05 0.00 -0.02 0.00 0.00 35.03 32.21 2hqa n LYS 714 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2hqa n LYS 715 N 2.58 0.83 -3.72 1.97 5.02 -0.99 -4.91 118.16 118.94 2hqa n LYS 715 Ca 0.51 -0.09 -0.18 0.00 -2.02 0.00 0.00 58.31 56.54 2hqa n LYS 715 Cb 0.30 -3.16 -0.17 0.00 -0.02 0.00 0.00 35.03 31.98 2hqa n LYS 715 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2hqa s LYS 716 N 8.44 -0.04 0.14 1.97 2.20 -1.26 -5.08 119.74 126.09 2hqa s LYS 716 Ca 1.04 0.28 -0.12 0.00 -0.36 0.00 0.00 55.97 56.81 2hqa s LYS 716 Cb -0.33 -0.40 0.13 0.00 -1.51 0.00 0.00 37.83 35.72 2hqa s LYS 716 CO 0.28 -0.25 0.97 -2.30 -0.36 0.00 0.00 175.35 173.69 2hqa n PRO 717 N 4.77 -0.16 -0.16 4.03 -0.02 -1.26 -2.11 135.00 140.09 2hqa n PRO 717 Ca -0.15 0.96 -0.10 0.00 -2.02 0.00 0.00 63.50 62.20 2hqa n PRO 717 Cb 0.50 -1.43 -0.00 0.00 -0.02 0.00 0.00 33.50 32.55 2hqa n PRO 717 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2hqa h GLU 718 N 0.00 0.75 -0.17 -0.52 4.57 -1.98 0.74 114.58 117.97 2hqa h GLU 718 Ca 0.20 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2hqa h GLU 718 Cb 0.36 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 2hqa h GLU 718 CO -0.62 0.78 0.00 -1.91 -1.18 0.00 0.00 179.01 176.09 2hqa n GLU 719 N -4.45 0.15 0.00 1.92 2.13 -0.90 -2.94 120.64 116.55 2hqa n GLU 719 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2hqa n GLU 719 Cb 0.26 -1.08 0.00 0.00 0.27 0.00 0.00 31.44 30.89 2hqa n GLU 719 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2hqa n ALA 721 N 0.43 0.00 -0.04 4.31 0.00 0.26 -3.23 120.51 122.24 2hqa n ALA 721 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2hqa n ALA 721 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 2hqa n ALA 721 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2hqa h LYS 722 N 0.00 -0.05 0.00 0.00 3.64 -1.77 -2.39 116.57 115.99 2hqa h LYS 722 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2hqa h LYS 722 Cb 0.00 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2hqa h LYS 722 CO 0.00 -0.04 -0.36 1.96 -2.27 0.00 0.00 179.45 178.75 2hqa h GLN 723 N -0.06 0.00 0.00 1.90 7.50 -1.84 -2.30 115.11 120.32 2hqa h GLN 723 Ca 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.25 2hqa h GLN 723 Cb 0.22 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.75 2hqa h GLN 723 CO -0.25 0.36 -0.05 -0.09 -1.50 0.00 0.00 178.83 177.29 2hqa h ARG 724 N 0.00 0.00 0.00 1.46 2.43 -1.73 -2.10 114.38 114.45 2hqa h ARG 724 Ca -0.00 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.80 2hqa h ARG 724 Cb 0.71 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.19 2hqa h ARG 724 CO 0.05 0.05 -2.32 -1.13 -1.51 0.00 0.00 179.97 175.11 2hqa n SER 725 N -4.45 0.58 0.12 -3.80 3.41 -1.13 -3.27 113.62 105.08 2hqa n SER 725 Ca -0.03 0.03 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 2hqa n SER 725 Cb 0.13 0.53 0.53 0.00 -0.26 0.00 0.00 64.21 65.14 2hqa n SER 725 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2hqa h VAL 726 N 0.00 1.06 -0.13 -3.33 2.07 -1.24 1.59 116.25 116.26 2hqa h VAL 726 Ca -0.52 -0.10 -0.13 0.00 0.82 0.00 0.00 66.70 66.76 2hqa h VAL 726 Cb 2.14 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2hqa h VAL 726 CO 0.01 0.05 -0.43 0.15 0.02 0.00 0.00 177.57 177.37 2hqa h PHE 727 N 0.29 0.69 -0.02 1.57 3.57 -1.55 -2.33 116.94 119.16 2hqa h PHE 727 Ca 0.08 -0.28 -0.13 0.00 3.53 0.00 0.00 57.97 61.17 2hqa h PHE 727 Cb -0.03 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 2hqa h PHE 727 CO 0.00 1.04 -0.60 0.00 -2.23 0.00 0.00 178.31 176.52 2hqa h ALA 728 N 0.52 0.98 0.11 2.41 0.00 -0.72 -2.27 119.26 120.28 2hqa h ALA 728 Ca -0.02 -0.54 -0.20 0.00 0.00 0.00 0.00 54.91 54.15 2hqa h ALA 728 Cb 1.06 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.78 2hqa h ALA 728 CO 0.09 0.74 -0.87 0.93 0.00 0.00 0.00 179.25 180.15 2hqa h GLU 729 N 0.04 0.40 0.00 0.00 5.08 0.20 -3.32 114.58 116.98 2hqa h GLU 729 Ca -0.01 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 2hqa h GLU 729 Cb 1.07 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2hqa h GLU 729 CO 0.08 1.24 0.00 0.41 -1.00 0.00 0.00 179.01 179.74 2hqa n GLY 730 N 1.46 -1.04 0.17 -3.84 0.00 -0.88 -2.54 105.19 98.53 2hqa n GLY 730 Ca -0.13 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 2hqa n GLY 730 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hqa h ALA 731 N 2.30 0.48 -0.08 4.61 0.00 -1.50 -2.06 119.26 123.02 2hqa h ALA 731 Ca 0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 54.91 54.05 2hqa h ALA 731 Cb 0.24 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2hqa h ALA 731 CO 0.00 0.78 -0.79 1.49 0.00 0.00 0.00 179.25 180.73 2hqa h GLU 732 N 0.28 0.67 -0.32 0.00 4.57 -1.63 -1.43 114.58 116.72 2hqa h GLU 732 Ca -0.05 -0.62 0.05 0.00 -1.18 0.00 0.00 59.36 57.56 2hqa h GLU 732 Cb 1.42 0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 30.12 2hqa h GLU 732 CO 0.14 1.22 0.07 0.87 -1.18 0.00 0.00 179.01 180.13 2hqa h LYS 733 N 0.33 0.18 0.00 1.92 1.57 -1.46 -1.32 116.57 117.79 2hqa h LYS 733 Ca -0.08 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.58 2hqa h LYS 733 Cb 1.44 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.69 2hqa h LYS 733 CO 0.16 0.12 -0.54 -0.91 -0.57 0.00 0.00 179.45 177.71 2hqa h ASN 734 N 0.18 0.00 -4.02 0.86 4.21 -1.49 -3.50 115.58 111.82 2hqa h ASN 734 Ca 0.15 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.66 2hqa h ASN 734 Cb 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 2hqa h ASN 734 CO -0.20 0.54 -0.13 0.61 -1.29 0.00 0.00 177.43 176.96 2hqa n GLY 735 N 0.71 -3.35 1.02 2.83 0.00 -0.50 -5.09 105.19 100.81 2hqa n GLY 735 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2hqa n GLY 735 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2hqa n ILE 736 N -0.74 0.00 -1.52 -0.61 -5.35 -1.25 -4.97 119.36 104.91 2hqa n ILE 736 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.06 2hqa n ILE 736 Cb 0.00 -0.67 -0.06 0.00 -1.74 0.00 0.00 39.64 37.17 2hqa n ILE 736 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2hqa n ASN 737 N -2.21 2.09 -1.95 7.28 5.15 -1.26 -4.04 115.26 120.32 2hqa n ASN 737 Ca 0.00 -0.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 2hqa n ASN 737 Cb 0.00 -1.39 0.00 0.00 -0.53 0.00 0.00 39.78 37.86 2hqa n ASN 737 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2hqa n ALA 738 N 12.76 0.00 0.00 5.20 0.00 -1.26 -4.20 120.51 133.01 2hqa n ALA 738 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2hqa n ALA 738 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2hqa n ALA 738 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2hqa n GLU 739 N -0.36 0.00 -0.30 0.00 0.00 -1.26 -4.24 120.64 114.48 2hqa n GLU 739 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.23 2hqa n GLU 739 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 31.44 31.66 2hqa n GLU 739 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2hqa h LEU 740 N 0.00 0.59 -4.35 4.31 5.85 -2.00 -3.33 115.31 116.38 2hqa h LEU 740 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2hqa h LEU 740 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2hqa h LEU 740 CO 0.00 0.27 0.00 0.00 -0.34 0.00 0.00 178.44 178.37 2hqa n ALA 741 N -2.41 0.83 0.00 1.25 0.00 -1.26 -1.85 120.51 117.07 2hqa n ALA 741 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2hqa n ALA 741 Cb 0.41 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2hqa n ALA 741 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2hqa n LYS 743 N 1.52 0.00 0.02 0.00 4.76 -1.25 -1.25 118.16 121.96 2hqa n LYS 743 Ca 0.00 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 2hqa n LYS 743 Cb 0.00 -0.01 0.16 0.00 -1.84 0.00 0.00 35.03 33.33 2hqa n LYS 743 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 2hqa h ILE 744 N 0.00 1.30 -0.22 -0.18 2.10 -1.70 -2.97 117.51 115.84 2hqa h ILE 744 Ca 0.00 -1.51 -0.15 0.00 1.08 0.00 0.00 64.86 64.29 2hqa h ILE 744 Cb 0.00 1.56 -0.01 0.00 -1.09 0.00 0.00 36.82 37.28 2hqa h ILE 744 CO 0.00 0.47 -0.48 0.15 -1.08 0.00 0.00 178.15 177.21 2hqa h PHE 745 N 0.38 0.70 -0.76 2.19 3.04 -1.43 0.17 116.94 121.23 2hqa h PHE 745 Ca 0.04 -0.23 0.05 0.00 3.98 0.00 0.00 57.97 61.81 2hqa h PHE 745 Cb 0.84 -0.14 -0.05 0.00 2.56 0.00 0.00 35.95 39.16 2hqa h PHE 745 CO 0.03 0.94 0.50 -0.44 -2.02 0.00 0.00 178.31 177.32 2hqa h ASP 746 N 0.46 0.75 0.00 0.41 5.19 -1.74 -2.81 116.42 118.67 2hqa h ASP 746 Ca 0.02 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2hqa h ASP 746 Cb 1.00 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.35 2hqa h ASP 746 CO 0.09 0.50 -1.37 0.18 -3.12 0.00 0.00 179.24 175.52 2hqa n LEU 747 N -4.47 0.25 0.25 1.55 4.77 -1.13 -3.87 117.00 114.34 2hqa n LEU 747 Ca 0.11 -0.17 0.12 0.00 -0.03 0.00 0.00 56.01 56.04 2hqa n LEU 747 Cb 0.17 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 41.85 2hqa n LEU 747 CO 0.34 0.06 0.89 1.62 -1.33 0.00 0.00 177.39 178.97 2hqa h VAL 748 N 0.00 0.42 0.00 4.08 3.04 -0.68 -0.88 116.25 122.23 2hqa h VAL 748 Ca 0.00 -0.84 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 2hqa h VAL 748 Cb 0.59 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 2hqa h VAL 748 CO 0.00 0.15 0.00 1.21 -1.01 0.00 0.00 177.57 177.92 2hqa n GLU 749 N -3.37 0.93 0.00 4.17 0.00 -1.06 -2.78 120.64 118.53 2hqa n GLU 749 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2hqa n GLU 749 Cb 0.35 -1.43 0.00 0.00 0.00 0.00 0.00 31.44 30.36 2hqa n GLU 749 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2hqa n LYS 750 N -0.93 0.53 -0.00 5.31 4.76 -0.66 -4.09 118.16 123.07 2hqa n LYS 750 Ca 0.19 -0.61 0.10 0.00 -2.87 0.00 0.00 58.31 55.11 2hqa n LYS 750 Cb 0.09 -0.63 -0.12 0.00 -1.84 0.00 0.00 35.03 32.54 2hqa n LYS 750 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2hqa n PHE 751 N -0.10 0.00 0.30 2.13 3.01 -0.42 -4.41 117.46 117.96 2hqa n PHE 751 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.49 2hqa n PHE 751 Cb 0.38 -0.01 0.01 0.00 -0.01 0.00 0.00 39.48 39.86 2hqa n PHE 751 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hqa n ALA 752 N -1.49 2.58 -0.27 4.37 0.00 -1.12 -4.00 120.51 120.58 2hqa n ALA 752 Ca 0.04 -0.45 0.03 0.00 0.00 0.00 0.00 53.44 53.06 2hqa n ALA 752 Cb 0.32 -0.24 0.25 0.00 0.00 0.00 0.00 19.45 19.79 2hqa n ALA 752 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2hqa h GLY 753 N 1.43 1.20 -6.20 0.00 0.00 -1.77 -3.30 103.07 94.42 2hqa h GLY 753 Ca 0.00 -0.40 -0.55 0.00 0.00 0.00 0.00 47.33 46.39 2hqa h GLY 753 CO 0.00 0.32 -0.95 1.58 0.00 0.00 0.00 176.54 177.49 2hqa n TYR 754 N -4.47 -1.16 -4.15 5.60 0.18 -1.26 -5.08 117.16 106.82 2hqa n TYR 754 Ca 0.12 -3.15 -0.29 0.00 1.88 0.00 0.00 57.90 56.47 2hqa n TYR 754 Cb 0.16 0.33 -0.08 0.00 -0.38 0.00 0.00 39.34 39.37 2hqa n TYR 754 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 2hqa s GLY 755 N 0.00 1.83 0.33 -7.48 0.00 -1.25 -5.00 107.32 95.76 2hqa s GLY 755 Ca 0.33 -1.21 -0.23 0.00 0.00 0.00 0.00 44.72 43.61 2hqa s GLY 755 CO -0.18 -1.20 0.89 -0.12 0.00 0.00 0.00 173.10 172.49 2hqa s PHE 756 N -1.48 3.58 -0.62 1.90 2.19 -1.14 -4.56 117.98 117.85 2hqa s PHE 756 Ca 0.27 1.64 -0.26 0.00 0.33 0.00 0.00 56.93 58.91 2hqa s PHE 756 Cb -0.11 -2.83 -0.05 0.00 -1.31 0.00 0.00 43.02 38.73 2hqa s PHE 756 CO 0.19 0.16 2.07 1.21 1.83 0.00 0.00 175.22 180.68 2hqa s ASN 757 N -1.79 4.91 0.34 6.13 3.04 -1.26 -1.71 114.94 124.60 2hqa s ASN 757 Ca 0.52 0.41 0.01 0.00 0.04 0.00 0.00 52.86 53.84 2hqa s ASN 757 Cb -0.16 -2.53 0.59 0.00 -1.54 0.00 0.00 41.25 37.62 2hqa s ASN 757 CO 0.21 -2.68 1.99 0.50 -3.04 0.00 0.00 177.10 174.07 2hqa h LYS 758 N 15.74 0.86 -0.25 0.43 3.64 -1.95 0.21 116.57 135.25 2hqa h LYS 758 Ca -0.19 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.02 2hqa h LYS 758 Cb 1.16 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2hqa h LYS 758 CO 1.19 0.59 -0.27 1.03 -2.27 0.00 0.00 179.45 179.72 2hqa h SER 759 N 0.88 0.49 0.02 4.20 0.87 -1.90 0.26 113.55 118.37 2hqa h SER 759 Ca 0.23 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2hqa h SER 759 Cb -0.06 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 2hqa h SER 759 CO -0.05 0.75 -0.01 -0.74 -0.53 0.00 0.00 176.83 176.25 2hqa h HIS 760 N 0.42 -0.03 -0.81 2.24 -0.00 -1.55 -1.92 115.15 113.51 2hqa h HIS 760 Ca 0.06 -0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.54 2hqa h HIS 760 Cb 0.70 0.01 -0.08 0.00 -0.00 0.00 0.00 27.41 28.04 2hqa h HIS 760 CO 0.02 0.37 0.44 1.03 -0.00 0.00 0.00 177.93 179.79 2hqa h SER 761 N -0.44 0.59 1.38 3.26 0.87 -0.18 -2.39 113.55 116.64 2hqa h SER 761 Ca -0.00 0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.49 2hqa h SER 761 Cb 0.42 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 2hqa h SER 761 CO 0.01 0.31 -0.63 0.00 -0.53 0.00 0.00 176.83 175.99 2hqa h ALA 762 N 1.48 0.62 -0.26 6.23 0.00 -0.49 -1.32 119.26 125.51 2hqa h ALA 762 Ca 0.41 -0.55 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2hqa h ALA 762 Cb 0.45 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 2hqa h ALA 762 CO -0.28 0.75 -0.28 0.00 0.00 0.00 0.00 179.25 179.43 2hqa h ALA 763 N 1.41 -0.19 -0.07 0.00 0.00 -0.82 -2.55 119.26 117.04 2hqa h ALA 763 Ca -0.01 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 2hqa h ALA 763 Cb 1.46 0.58 0.01 0.00 0.00 0.00 0.00 17.79 19.85 2hqa h ALA 763 CO 0.08 -0.71 -0.75 1.88 0.00 0.00 0.00 179.25 179.74 2hqa h TYR 764 N -0.28 0.90 -0.72 0.00 -1.99 -1.37 -3.22 116.97 110.29 2hqa h TYR 764 Ca 0.14 -0.44 0.15 0.00 2.00 0.00 0.00 58.73 60.58 2hqa h TYR 764 Cb 0.50 -0.12 -0.11 0.00 2.00 0.00 0.00 36.73 39.00 2hqa h TYR 764 CO -0.44 1.26 0.18 0.00 -0.00 0.00 0.00 178.16 179.16 2hqa h ALA 765 N 0.45 0.93 -0.46 3.88 0.00 -1.23 -1.18 119.26 121.65 2hqa h ALA 765 Ca -0.07 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2hqa h ALA 765 Cb 1.41 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 2hqa h ALA 765 CO 0.15 -0.32 0.22 1.25 0.00 0.00 0.00 179.25 180.54 2hqa h LEU 766 N 0.28 0.29 -1.24 0.00 5.85 -1.46 0.31 115.31 119.35 2hqa h LEU 766 Ca 0.40 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 59.09 2hqa h LEU 766 Cb 0.67 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2hqa h LEU 766 CO -0.49 0.21 -0.15 0.58 -0.34 0.00 0.00 178.44 178.25 2hqa h VAL 767 N 0.43 1.21 -0.25 1.05 2.07 -1.43 -0.23 116.25 119.10 2hqa h VAL 767 Ca 0.21 -0.94 -0.11 0.00 0.82 0.00 0.00 66.70 66.67 2hqa h VAL 767 Cb 0.14 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2hqa h VAL 767 CO -0.16 0.30 -0.32 0.28 0.02 0.00 0.00 177.57 177.69 2hqa h SER 768 N 0.31 0.54 0.34 0.57 0.02 -0.50 -2.65 113.55 112.17 2hqa h SER 768 Ca 0.06 -0.21 -0.18 0.00 -0.84 0.00 0.00 61.79 60.62 2hqa h SER 768 Cb 0.46 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2hqa h SER 768 CO 0.03 0.82 -0.75 0.22 -1.14 0.00 0.00 176.83 176.01 2hqa h TYR 769 N 0.45 0.47 -0.42 3.45 3.20 0.12 -0.23 116.97 124.01 2hqa h TYR 769 Ca 0.05 -0.22 -0.09 0.00 3.14 0.00 0.00 58.73 61.61 2hqa h TYR 769 Cb 0.77 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2hqa h TYR 769 CO 0.03 0.97 -0.10 1.96 -1.64 0.00 0.00 178.16 179.38 2hqa h GLN 770 N 0.23 0.81 -0.66 1.82 4.20 -1.15 0.15 115.11 120.51 2hqa h GLN 770 Ca -0.03 -0.31 0.01 0.00 0.06 0.00 0.00 58.65 58.38 2hqa h GLN 770 Cb 1.33 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.03 2hqa h GLN 770 CO 0.13 0.93 0.43 0.00 -0.67 0.00 0.00 178.83 179.65 2hqa h THR 771 N 0.63 1.15 0.43 -0.54 1.03 -1.22 0.61 112.91 115.00 2hqa h THR 771 Ca 0.11 -0.30 -0.02 0.00 -0.01 0.00 0.00 66.41 66.18 2hqa h THR 771 Cb 0.63 0.20 0.00 0.00 -1.07 0.00 0.00 68.15 67.91 2hqa h THR 771 CO 0.04 0.16 -0.21 0.25 -0.01 0.00 0.00 175.52 175.75 2hqa h LEU 772 N 0.88 -0.49 0.09 0.00 5.85 -0.83 -2.56 115.31 118.26 2hqa h LEU 772 Ca 0.25 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.96 2hqa h LEU 772 Cb -0.07 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 2hqa h LEU 772 CO -0.07 -0.30 -0.42 -0.25 -0.34 0.00 0.00 178.44 177.06 2hqa h TRP 773 N -0.65 -1.22 -0.93 1.25 7.01 -0.27 -1.41 115.95 119.73 2hqa h TRP 773 Ca -0.06 0.03 0.23 0.00 2.11 0.00 0.00 58.89 61.21 2hqa h TRP 773 Cb 0.48 0.52 -0.17 0.00 -2.10 0.00 0.00 29.16 27.89 2hqa h TRP 773 CO -0.03 -0.48 -0.02 -0.07 -2.79 0.00 0.00 178.44 175.05 2hqa h LEU 774 N -0.60 -0.51 -0.64 0.65 4.07 0.22 0.26 115.31 118.76 2hqa h LEU 774 Ca -0.00 0.26 -0.07 0.00 0.08 0.00 0.00 57.88 58.15 2hqa h LEU 774 Cb 0.60 0.47 -0.03 0.00 1.08 0.00 0.00 40.66 42.79 2hqa h LEU 774 CO -0.23 -0.30 0.13 0.50 -1.08 0.00 0.00 178.44 177.45 2hqa h LYS 775 N 0.03 1.04 -0.27 1.13 3.64 -0.95 1.74 116.57 122.93 2hqa h LYS 775 Ca 0.53 -0.26 -0.16 0.00 -1.27 0.00 0.00 60.65 59.49 2hqa h LYS 775 Cb 1.02 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2hqa h LYS 775 CO -0.87 0.95 -0.46 0.00 -2.27 0.00 0.00 179.45 176.80 2hqa h ALA 776 N 1.04 0.42 0.02 5.00 0.00 0.29 -3.14 119.26 122.90 2hqa h ALA 776 Ca 0.20 -0.48 -0.36 0.00 0.00 0.00 0.00 54.91 54.27 2hqa h ALA 776 Cb 0.40 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2hqa h ALA 776 CO 0.01 0.57 -2.24 0.72 0.00 0.00 0.00 179.25 178.31 2hqa n HIS 777 N -4.12 0.37 -2.94 0.00 8.25 0.63 -4.64 115.22 112.78 2hqa n HIS 777 Ca -0.05 0.10 -0.21 0.00 -0.26 0.00 0.00 57.72 57.31 2hqa n HIS 777 Cb 0.57 -1.06 -0.02 0.00 1.12 0.00 0.00 29.99 30.60 2hqa n HIS 777 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2hqa n TYR 778 N -3.07 2.08 -0.20 4.41 4.02 0.59 -4.95 117.16 120.04 2hqa n TYR 778 Ca -0.34 -3.65 -0.01 0.00 -0.01 0.00 0.00 57.90 53.89 2hqa n TYR 778 Cb 1.07 -0.40 0.10 0.00 -0.02 0.00 0.00 39.34 40.09 2hqa n TYR 778 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2hqa h PRO 779 N 2.94 0.44 -0.63 -0.72 0.13 -1.54 -0.40 132.00 132.23 2hqa h PRO 779 Ca 0.11 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 2hqa h PRO 779 Cb 0.83 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.83 2hqa h PRO 779 CO 0.66 0.29 0.34 0.00 -0.23 0.00 0.00 178.00 179.06 2hqa h ALA 780 N 1.38 0.81 -0.01 -0.56 0.00 -1.89 -3.13 119.26 115.86 2hqa h ALA 780 Ca 0.29 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 2hqa h ALA 780 Cb 0.31 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.86 2hqa h ALA 780 CO -0.26 0.33 -0.38 0.93 0.00 0.00 0.00 179.25 179.88 2hqa h GLU 781 N 0.86 0.27 0.00 0.00 3.07 -1.79 -2.16 114.58 114.83 2hqa h GLU 781 Ca 0.22 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2hqa h GLU 781 Cb 0.06 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 2hqa h GLU 781 CO -0.03 0.98 0.00 0.34 -1.40 0.00 0.00 179.01 178.90 2hqa n PHE 782 N -4.40 0.00 0.00 4.33 -0.00 -0.21 -1.22 117.46 115.96 2hqa n PHE 782 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.35 2hqa n PHE 782 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.04 2hqa n PHE 782 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2hqa n ALA 784 N 0.21 0.00 -0.18 3.13 0.00 -0.81 -1.28 120.51 121.57 2hqa n ALA 784 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2hqa n ALA 784 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2hqa n ALA 784 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hqa h ALA 785 N 0.00 0.71 0.00 0.00 0.00 -1.44 -1.54 119.26 116.99 2hqa h ALA 785 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2hqa h ALA 785 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2hqa h ALA 785 CO 0.00 0.58 0.00 0.28 0.00 0.00 0.00 179.25 180.11 2hqa n VAL 786 N -4.23 0.03 0.00 0.00 0.31 -0.41 -2.03 118.33 112.00 2hqa n VAL 786 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2hqa n VAL 786 Cb 0.36 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 2hqa n VAL 786 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2hqa n THR 788 N 0.84 0.00 0.20 2.52 -1.04 -0.58 -2.69 114.28 113.53 2hqa n THR 788 Ca 0.00 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.07 2hqa n THR 788 Cb 0.02 0.00 0.43 0.00 -1.82 0.00 0.00 70.33 68.96 2hqa n THR 788 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hqa h ALA 789 N 0.00 1.18 -2.77 2.41 0.00 -1.70 -3.45 119.26 114.93 2hqa h ALA 789 Ca 0.00 -0.29 -0.78 0.00 0.00 0.00 0.00 54.91 53.83 2hqa h ALA 789 Cb 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 17.79 17.48 2hqa h ALA 789 CO 0.00 0.40 0.16 -0.51 0.00 0.00 0.00 179.25 179.30 2hqa s ASP 790 N -6.54 6.78 0.00 0.00 1.11 -1.09 -4.96 116.67 111.96 2hqa s ASP 790 Ca -0.01 -2.69 0.00 0.00 0.18 0.00 0.00 52.55 50.02 2hqa s ASP 790 Cb 0.13 -2.22 0.00 0.00 1.07 0.00 0.00 42.92 41.89 2hqa s ASP 790 CO 0.68 -0.59 0.00 -0.67 1.18 0.00 0.00 175.17 175.77 2hqa n ASP 792 N 4.07 0.00 -4.47 0.27 -0.08 -1.26 -4.59 116.55 110.49 2hqa n ASP 792 Ca 0.15 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 53.00 2hqa n ASP 792 Cb 0.47 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.88 2hqa n ASP 792 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2hqa s ASN 793 N 0.00 6.26 0.36 1.67 3.04 -1.26 -4.92 114.94 120.09 2hqa s ASN 793 Ca 0.00 -0.75 0.05 0.00 0.04 0.00 0.00 52.86 52.21 2hqa s ASN 793 Cb 0.00 -2.36 0.72 0.00 -1.54 0.00 0.00 41.25 38.07 2hqa s ASN 793 CO 0.00 -1.08 1.97 0.74 -3.04 0.00 0.00 177.10 175.69 2hqa h THR 794 N 5.93 1.05 -0.30 -5.21 2.02 -1.91 -2.59 112.91 111.91 2hqa h THR 794 Ca -0.27 -0.27 -0.18 0.00 0.77 0.00 0.00 66.41 66.46 2hqa h THR 794 Cb 1.08 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2hqa h THR 794 CO 1.04 0.14 -0.53 -0.33 0.37 0.00 0.00 175.52 176.21 2hqa h GLU 795 N 0.78 0.88 -0.11 6.66 5.08 -1.93 -2.13 114.58 123.81 2hqa h GLU 795 Ca 0.30 -0.55 -0.12 0.00 -1.00 0.00 0.00 59.36 57.99 2hqa h GLU 795 Cb 0.19 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2hqa h GLU 795 CO -0.09 1.19 -0.46 0.87 -1.00 0.00 0.00 179.01 179.51 2hqa h LYS 796 N 0.68 0.28 -0.42 2.33 1.57 -1.83 -1.90 116.57 117.28 2hqa h LYS 796 Ca 0.02 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 2hqa h LYS 796 Cb 1.14 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 2hqa h LYS 796 CO 0.12 0.69 0.11 0.28 -0.57 0.00 0.00 179.45 180.08 2hqa h VAL 797 N 0.23 1.23 -0.42 0.50 2.07 -1.27 -1.49 116.25 117.08 2hqa h VAL 797 Ca 0.01 -0.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 2hqa h VAL 797 Cb 0.90 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2hqa h VAL 797 CO 0.07 0.27 -0.07 0.58 0.02 0.00 0.00 177.57 178.44 2hqa h VAL 798 N 0.54 1.25 -0.73 2.57 2.07 -1.18 -1.00 116.25 119.76 2hqa h VAL 798 Ca 0.13 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 2hqa h VAL 798 Cb 0.29 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2hqa h VAL 798 CO -0.00 0.37 0.44 1.23 0.02 0.00 0.00 177.57 179.63 2hqa h GLY 799 N 0.97 1.05 1.23 2.17 0.00 -1.19 -2.24 103.07 105.06 2hqa h GLY 799 Ca 0.12 -0.43 -0.23 0.00 0.00 0.00 0.00 47.33 46.79 2hqa h GLY 799 CO 0.03 0.42 -0.82 1.41 0.00 0.00 0.00 176.54 177.58 2hqa h LEU 800 N 1.00 0.89 -0.56 3.11 3.38 -0.55 -1.76 115.31 120.83 2hqa h LEU 800 Ca 0.26 -0.61 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 2hqa h LEU 800 Cb -0.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 2hqa h LEU 800 CO -0.05 1.40 0.18 -0.37 0.09 0.00 0.00 178.44 179.70 2hqa h VAL 801 N 0.49 1.24 -0.20 1.22 -1.51 -1.01 0.26 116.25 116.73 2hqa h VAL 801 Ca -0.06 -0.79 0.06 0.00 -1.23 0.00 0.00 66.70 64.68 2hqa h VAL 801 Cb 1.45 0.69 -0.06 0.00 -2.13 0.00 0.00 31.29 31.24 2hqa h VAL 801 CO 0.16 0.30 -0.21 -0.78 -1.23 0.00 0.00 177.57 175.81 2hqa h ASP 802 N 0.78 -0.66 -0.81 4.19 3.58 -1.37 0.16 116.42 122.29 2hqa h ASP 802 Ca 0.18 0.12 0.15 0.00 0.42 0.00 0.00 57.03 57.90 2hqa h ASP 802 Cb 0.27 0.31 -0.10 0.00 1.72 0.00 0.00 39.33 41.54 2hqa h ASP 802 CO -0.01 -0.25 0.38 -0.33 -2.88 0.00 0.00 179.24 176.16 2hqa h GLU 803 N -0.23 0.52 -0.82 0.28 4.39 -0.75 0.32 114.58 118.30 2hqa h GLU 803 Ca 0.12 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2hqa h GLU 803 Cb 0.41 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 2hqa h GLU 803 CO -0.34 0.35 0.45 0.00 -1.16 0.00 0.00 179.01 178.31 2hqa h TRP 805 N 1.14 0.00 0.00 0.00 7.01 0.24 0.36 115.95 124.70 2hqa h TRP 805 Ca 0.29 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.29 2hqa h TRP 805 Cb 0.02 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.08 2hqa h TRP 805 CO 0.00 0.68 0.00 0.54 -2.79 0.00 0.00 178.44 176.87 2hqa n ARG 806 N -3.36 0.90 -1.25 2.65 1.74 0.10 -4.37 116.66 113.08 2hqa n ARG 806 Ca 0.01 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.06 2hqa n ARG 806 Cb 0.77 -1.05 -0.03 0.00 -1.02 0.00 0.00 32.46 31.13 2hqa n ARG 806 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hqa n GLY 808 N 0.80 0.74 3.73 -0.13 0.00 -0.79 -5.06 105.19 104.48 2hqa n GLY 808 Ca 0.00 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 2hqa n GLY 808 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hqa s LEU 809 N -0.14 3.78 0.12 0.99 2.96 0.12 -5.07 118.68 121.43 2hqa s LEU 809 Ca 0.13 0.20 -0.31 0.00 -0.22 0.00 0.00 54.13 53.94 2hqa s LEU 809 Cb 0.16 -1.93 -0.08 0.00 0.50 0.00 0.00 46.19 44.84 2hqa s LEU 809 CO -0.07 0.37 1.38 -0.54 -1.32 0.00 0.00 176.35 176.17 2hqa s LYS 810 N -1.04 4.33 -0.11 1.98 -0.14 -1.26 -4.09 119.74 119.40 2hqa s LYS 810 Ca 0.15 2.07 -0.00 0.00 -1.36 0.00 0.00 55.97 56.82 2hqa s LYS 810 Cb -0.12 -3.24 0.02 0.00 -1.68 0.00 0.00 37.83 32.81 2hqa s LYS 810 CO 0.04 -0.42 -0.08 -1.50 -0.76 0.00 0.00 175.35 172.63 2hqa s ILE 811 N 1.01 1.07 -0.22 2.17 1.10 -1.26 -1.35 121.20 123.71 2hqa s ILE 811 Ca 0.64 -0.32 -0.11 0.00 -0.51 0.00 0.00 60.65 60.35 2hqa s ILE 811 Cb -0.37 -1.08 -0.05 0.00 0.15 0.00 0.00 42.46 41.12 2hqa s ILE 811 CO 0.31 0.37 0.17 -0.76 -2.11 0.00 0.00 174.94 172.93 2hqa s LEU 812 N 1.66 4.16 1.10 8.50 1.43 -0.21 -4.98 118.68 130.34 2hqa s LEU 812 Ca 0.04 0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.22 2hqa s LEU 812 Cb -0.13 -2.14 0.25 0.00 0.03 0.00 0.00 46.19 44.20 2hqa s LEU 812 CO -0.08 0.09 1.06 -2.16 0.23 0.00 0.00 176.35 175.49 2hqa s PRO 813 N 0.82 -0.43 0.17 1.29 0.04 -1.26 -2.69 135.00 132.93 2hqa s PRO 813 Ca 0.09 0.62 -0.34 0.00 0.04 0.00 0.00 61.00 61.42 2hqa s PRO 813 Cb -0.13 -1.63 -0.15 0.00 0.04 0.00 0.00 34.50 32.64 2hqa s PRO 813 CO 0.03 -3.34 1.38 -2.30 0.04 0.00 0.00 177.00 172.81 2hqa n PRO 814 N -4.62 1.66 -3.90 0.56 -0.02 -1.26 -4.64 135.00 122.79 2hqa n PRO 814 Ca 0.04 0.60 -0.16 0.00 -2.02 0.00 0.00 63.50 61.95 2hqa n PRO 814 Cb 0.56 -2.24 -0.16 0.00 -0.02 0.00 0.00 33.50 31.64 2hqa n PRO 814 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2hqa s ASP 815 N 0.43 0.31 0.44 2.55 2.15 -1.26 -3.73 116.67 117.56 2hqa s ASP 815 Ca 0.76 -0.01 0.21 0.00 0.43 0.00 0.00 52.55 53.94 2hqa s ASP 815 Cb -0.77 -0.16 1.03 0.00 -0.30 0.00 0.00 42.92 42.71 2hqa s ASP 815 CO 0.46 -0.09 1.91 -0.29 -0.17 0.00 0.00 175.17 176.99 2hqa h ILE 816 N 6.14 0.83 0.00 4.11 2.10 -1.61 -1.34 117.51 127.73 2hqa h ILE 816 Ca -0.42 -0.99 -0.17 0.00 1.08 0.00 0.00 64.86 64.36 2hqa h ILE 816 Cb 1.14 1.59 -0.03 0.00 -1.09 0.00 0.00 36.82 38.44 2hqa h ILE 816 CO 0.48 0.24 -0.92 0.78 -1.08 0.00 0.00 178.15 177.65 2hqa h ASN 817 N 0.00 0.00 0.00 2.19 2.35 -1.88 -3.41 115.58 114.83 2hqa h ASN 817 Ca -0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 2hqa h ASN 817 Cb 0.57 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.91 2hqa h ASN 817 CO 0.03 0.75 -1.85 -1.54 -1.65 0.00 0.00 177.43 173.18 2hqa n SER 818 N -3.22 1.46 -4.49 5.81 3.41 -1.20 -5.07 113.62 110.33 2hqa n SER 818 Ca -0.02 0.13 -0.37 0.00 -0.26 0.00 0.00 58.87 58.35 2hqa n SER 818 Cb 0.86 -0.40 0.05 0.00 -0.26 0.00 0.00 64.21 64.46 2hqa n SER 818 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hqa n GLY 819 N 2.20 -1.35 0.00 5.00 0.00 -0.51 -5.05 105.19 105.48 2hqa n GLY 819 Ca -0.29 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2hqa n GLY 819 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hqa n LEU 820 N -0.00 0.00 0.01 0.99 4.32 -1.25 -4.92 117.00 116.15 2hqa n LEU 820 Ca 0.11 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.91 2hqa n LEU 820 Cb 0.48 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.19 2hqa n LEU 820 CO 0.50 0.00 0.17 0.22 -1.22 0.00 0.00 177.39 177.06 2hqa h TYR 821 N 0.73 0.99 0.00 -1.77 3.20 -1.92 0.60 116.97 118.79 2hqa h TYR 821 Ca 0.00 -0.50 -0.15 0.00 3.14 0.00 0.00 58.73 61.22 2hqa h TYR 821 Cb 0.00 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 2hqa h TYR 821 CO 0.00 1.33 -1.37 0.72 -1.64 0.00 0.00 178.16 177.20 2hqa n HIS 822 N -3.95 0.99 -0.29 -3.82 8.25 -1.26 -2.43 115.22 112.71 2hqa n HIS 822 Ca -0.10 0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 2hqa n HIS 822 Cb 0.80 -1.08 0.00 0.00 1.12 0.00 0.00 29.99 30.83 2hqa n HIS 822 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2hqa n PHE 823 N -2.87 0.00 -2.75 4.41 3.01 -1.26 -4.10 117.46 113.90 2hqa n PHE 823 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 2hqa n PHE 823 Cb 0.81 -1.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.05 2hqa n PHE 823 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 2hqa n HIS 824 N 1.11 -0.00 -4.78 1.38 1.44 -0.89 -4.74 115.22 108.73 2hqa n HIS 824 Ca 0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 2hqa n HIS 824 Cb 0.00 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 29.94 2hqa n HIS 824 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2hqa s VAL 825 N -1.52 1.98 1.06 0.61 0.11 -1.26 -1.01 120.40 120.37 2hqa s VAL 825 Ca 0.00 -0.94 -0.16 0.00 -2.93 0.00 0.00 61.98 57.95 2hqa s VAL 825 Cb 0.00 -1.75 0.10 0.00 -1.53 0.00 0.00 36.38 33.21 2hqa s VAL 825 CO 0.00 0.54 0.30 0.59 -3.33 0.00 0.00 175.10 173.20 2hqa n ASN 826 N 3.94 -2.08 0.16 3.54 3.02 0.16 -4.88 115.26 119.13 2hqa n ASN 826 Ca -0.20 0.05 0.13 0.00 -0.03 0.00 0.00 54.58 54.54 2hqa n ASN 826 Cb 0.52 -1.10 0.53 0.00 -0.61 0.00 0.00 39.78 39.12 2hqa n ASN 826 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2hqa h ASP 827 N -1.96 0.00 -0.61 6.41 3.32 -2.01 -2.48 116.42 119.09 2hqa h ASP 827 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2hqa h ASP 827 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 2hqa h ASP 827 CO 0.38 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.37 2hqa n ASP 828 N -2.45 4.29 -1.27 6.45 10.43 -1.26 -4.95 116.55 127.80 2hqa n ASP 828 Ca 0.02 -2.31 -0.13 0.00 2.57 0.00 0.00 54.79 54.94 2hqa n ASP 828 Cb 0.26 -0.51 -0.02 0.00 1.84 0.00 0.00 41.12 42.69 2hqa n ASP 828 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2hqa n GLY 829 N 1.10 0.41 3.73 0.44 0.00 -0.93 -5.02 105.19 104.91 2hqa n GLY 829 Ca 0.24 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 2hqa n GLY 829 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hqa s GLU 830 N -4.05 3.78 0.01 1.61 2.02 -1.26 -4.71 118.70 116.10 2hqa s GLU 830 Ca 0.00 -0.26 -0.30 0.00 0.02 0.00 0.00 54.97 54.42 2hqa s GLU 830 Cb 0.00 -3.21 -0.07 0.00 0.10 0.00 0.00 34.13 30.95 2hqa s GLU 830 CO 0.00 0.46 1.58 0.42 0.02 0.00 0.00 175.26 177.74 2hqa s ILE 831 N -0.14 3.40 -0.24 -1.63 1.01 -0.46 0.37 121.20 123.51 2hqa s ILE 831 Ca 0.09 0.74 -0.15 0.00 0.00 0.00 0.00 60.65 61.32 2hqa s ILE 831 Cb -0.12 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 2hqa s ILE 831 CO 0.01 -0.02 0.38 -0.69 0.00 0.00 0.00 174.94 174.62 2hqa s VAL 832 N 2.97 5.19 0.42 2.92 1.01 -0.18 -1.05 120.40 131.69 2hqa s VAL 832 Ca 0.71 0.63 -0.24 0.00 0.00 0.00 0.00 61.98 63.08 2hqa s VAL 832 Cb -0.35 -3.71 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 2hqa s VAL 832 CO 0.30 0.21 1.05 0.00 0.00 0.00 0.00 175.10 176.65 2hqa n TYR 833 N 4.88 1.31 -3.46 5.22 9.36 -1.10 -2.10 117.16 131.27 2hqa n TYR 833 Ca -0.08 0.55 -0.38 0.00 3.32 0.00 0.00 57.90 61.30 2hqa n TYR 833 Cb 0.51 -2.25 -0.09 0.00 -0.63 0.00 0.00 39.34 36.88 2hqa n TYR 833 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 2hqa s GLY 834 N -0.72 1.93 0.51 2.98 0.00 -1.26 -3.82 107.32 106.95 2hqa s GLY 834 Ca 0.63 -0.84 0.23 0.00 0.00 0.00 0.00 44.72 44.74 2hqa s GLY 834 CO 0.57 0.82 2.09 -2.22 0.00 0.00 0.00 173.10 174.36 2hqa h ILE 835 N 5.29 0.76 -1.06 0.90 2.04 0.16 0.99 117.51 126.58 2hqa h ILE 835 Ca -0.34 -0.42 0.28 0.00 1.00 0.00 0.00 64.86 65.38 2hqa h ILE 835 Cb 1.17 1.25 -0.08 0.00 -0.74 0.00 0.00 36.82 38.42 2hqa h ILE 835 CO 0.64 0.11 0.70 1.23 0.00 0.00 0.00 178.15 180.83 2hqa h GLY 836 N 0.53 0.94 2.00 5.37 0.00 -1.63 -0.13 103.07 110.15 2hqa h GLY 836 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2hqa h GLY 836 CO 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 176.54 176.44 2hqa n ALA 837 N -2.54 1.48 -2.81 3.60 0.00 0.34 -4.16 120.51 116.42 2hqa n ALA 837 Ca 0.25 -0.04 -0.43 0.00 0.00 0.00 0.00 53.44 53.23 2hqa n ALA 837 Cb 0.96 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 2hqa n ALA 837 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2hqa s ILE 838 N -3.00 4.35 -0.21 0.00 1.01 -0.06 -4.90 121.20 118.40 2hqa s ILE 838 Ca 0.05 -0.78 -0.33 0.00 0.00 0.00 0.00 60.65 59.59 2hqa s ILE 838 Cb 0.07 -4.79 -0.15 0.00 0.01 0.00 0.00 42.46 37.59 2hqa s ILE 838 CO 0.19 -1.58 1.04 1.17 0.00 0.00 0.00 174.94 175.76 2hqa n LYS 839 N 7.62 0.00 0.00 2.79 4.81 -1.26 -2.06 118.16 130.05 2hqa n LYS 839 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 2hqa n LYS 839 Cb 0.48 -1.15 0.00 0.00 0.02 0.00 0.00 35.03 34.38 2hqa n LYS 839 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hqa n GLY 840 N 2.19 2.48 0.00 3.14 0.00 -1.26 -4.98 105.19 106.77 2hqa n GLY 840 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2hqa n GLY 840 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hqa n VAL 841 N -0.62 0.00 0.00 1.61 0.24 -0.88 -4.85 118.33 113.83 2hqa n VAL 841 Ca 0.00 0.38 0.00 0.00 -2.04 0.00 0.00 64.34 62.68 2hqa n VAL 841 Cb 0.00 -0.90 0.00 0.00 -1.47 0.00 0.00 33.84 31.47 2hqa n VAL 841 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2hqa n GLY 842 N 1.78 -0.03 0.22 7.63 0.00 -1.26 -4.62 105.19 108.90 2hqa n GLY 842 Ca 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 46.02 44.27 2hqa n GLY 842 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2hqa h GLU 843 N 0.00 0.58 0.09 1.61 4.81 -1.98 -2.56 114.58 117.13 2hqa h GLU 843 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2hqa h GLU 843 Cb 0.00 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2hqa h GLU 843 CO 0.00 0.38 -0.12 0.78 -0.73 0.00 0.00 179.01 179.32 2hqa h GLY 844 N 0.60 -0.97 0.13 1.92 0.00 -1.98 0.26 103.07 103.04 2hqa h GLY 844 Ca 0.24 0.43 0.14 0.00 0.00 0.00 0.00 47.33 48.15 2hqa h GLY 844 CO -0.14 -0.34 0.29 -2.55 0.00 0.00 0.00 176.54 173.81 2hqa h PRO 845 N -0.22 0.42 0.60 4.80 0.11 -1.75 -0.19 132.00 135.77 2hqa h PRO 845 Ca -0.01 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 2hqa h PRO 845 Cb 0.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 2hqa h PRO 845 CO -0.03 0.28 -0.40 0.82 -0.21 0.00 0.00 178.00 178.45 2hqa h ILE 846 N 0.43 0.00 -0.85 4.15 2.04 -1.36 -1.31 117.51 120.61 2hqa h ILE 846 Ca 0.42 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.39 2hqa h ILE 846 Cb 0.64 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.59 2hqa h ILE 846 CO -0.41 0.00 -0.39 1.21 0.00 0.00 0.00 178.15 178.56 2hqa n GLU 847 N -4.93 -0.26 -0.16 2.37 0.00 0.92 0.04 120.64 118.62 2hqa n GLU 847 Ca -0.12 1.30 -0.02 0.00 0.00 0.00 0.00 57.16 58.32 2hqa n GLU 847 Cb 0.40 -1.92 0.05 0.00 0.00 0.00 0.00 31.44 29.97 2hqa n GLU 847 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2hqa h ALA 848 N 0.93 0.42 -0.31 4.31 0.00 -0.78 -1.94 119.26 121.88 2hqa h ALA 848 Ca 0.24 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.35 2hqa h ALA 848 Cb 0.45 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2hqa h ALA 848 CO -0.83 -0.41 0.11 0.82 0.00 0.00 0.00 179.25 178.94 2hqa h ILE 849 N 0.07 0.91 0.35 0.00 2.04 0.79 -2.19 117.51 119.48 2hqa h ILE 849 Ca 0.25 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 2hqa h ILE 849 Cb 0.38 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2hqa h ILE 849 CO -0.45 0.04 -0.32 0.40 0.00 0.00 0.00 178.15 177.83 2hqa h ILE 850 N 0.24 0.34 -0.34 -0.67 2.04 -0.70 -0.09 117.51 118.32 2hqa h ILE 850 Ca 0.14 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.10 2hqa h ILE 850 Cb 0.11 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 2hqa h ILE 850 CO -0.15 0.00 0.41 -0.33 0.00 0.00 0.00 178.15 178.08 2hqa h GLU 851 N -0.68 0.00 0.15 2.37 5.08 -1.14 0.23 114.58 120.59 2hqa h GLU 851 Ca -0.02 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.02 2hqa h GLU 851 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2hqa h GLU 851 CO -0.04 0.00 -1.57 0.00 -1.00 0.00 0.00 179.01 176.40 2hqa h ALA 852 N 1.50 0.18 -0.41 3.43 0.00 -0.69 -3.30 119.26 119.98 2hqa h ALA 852 Ca 0.16 -1.08 -0.11 0.00 0.00 0.00 0.00 54.91 53.89 2hqa h ALA 852 Cb 0.98 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2hqa h ALA 852 CO -0.00 1.05 -0.18 -0.09 0.00 0.00 0.00 179.25 180.03 2hqa h ARG 853 N 0.09 0.78 -0.26 0.00 2.43 0.10 -2.42 114.38 115.10 2hqa h ARG 853 Ca -0.26 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 2hqa h ARG 853 Cb 2.05 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.56 2hqa h ARG 853 CO 0.18 0.90 0.00 0.09 -1.51 0.00 0.00 179.97 179.63 2hqa n ASN 854 N -4.13 0.26 -0.01 -3.80 5.03 0.53 -2.14 115.26 110.99 2hqa n ASN 854 Ca 0.01 -1.61 -0.01 0.00 0.87 0.00 0.00 54.58 53.84 2hqa n ASN 854 Cb 0.41 -0.13 -0.03 0.00 -1.02 0.00 0.00 39.78 39.00 2hqa n ASN 854 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2hqa n LYS 855 N -0.31 2.29 -2.31 3.52 4.81 -0.91 -4.87 118.16 120.39 2hqa n LYS 855 Ca 0.00 -0.01 -0.02 0.00 -0.87 0.00 0.00 58.31 57.40 2hqa n LYS 855 Cb 0.06 -1.11 0.07 0.00 0.02 0.00 0.00 35.03 34.08 2hqa n LYS 855 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hqa n GLY 856 N 2.58 1.66 5.67 3.14 0.00 -1.21 -5.08 105.19 111.94 2hqa n GLY 856 Ca -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2hqa n GLY 856 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hqa n GLY 857 N -1.00 1.33 0.11 -0.02 0.00 -0.91 -4.82 105.19 99.88 2hqa n GLY 857 Ca -0.15 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2hqa n GLY 857 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hqa n TYR 858 N 0.00 0.00 0.00 1.61 0.53 -1.26 -4.65 117.16 113.38 2hqa n TYR 858 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 2hqa n TYR 858 Cb 0.00 -0.29 0.00 0.00 -1.03 0.00 0.00 39.34 38.02 2hqa n TYR 858 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 2hqa n PHE 859 N 2.57 0.00 0.01 -0.72 0.99 -1.26 -4.84 117.46 114.21 2hqa n PHE 859 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.44 2hqa n PHE 859 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 38.47 2hqa n PHE 859 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2hqa h ARG 860 N 0.00 -0.06 0.00 -1.08 -0.00 -1.96 -3.46 114.38 107.82 2hqa h ARG 860 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2hqa h ARG 860 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 29.97 29.98 2hqa h ARG 860 CO 0.00 -0.04 0.00 0.39 0.00 0.00 0.00 179.97 180.32 2hqa n GLU 861 N -2.67 1.90 -0.25 0.04 1.02 -1.26 -4.86 120.64 114.56 2hqa n GLU 861 Ca -0.01 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.06 2hqa n GLU 861 Cb 0.03 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.50 2hqa n GLU 861 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2hqa h LEU 862 N 0.00 0.96 -0.21 -4.62 6.46 -1.90 -3.20 115.31 112.80 2hqa h LEU 862 Ca 0.00 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.57 2hqa h LEU 862 Cb 0.00 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.67 2hqa h LEU 862 CO 0.00 0.88 0.09 -0.26 -0.62 0.00 0.00 178.44 178.53 2hqa h PHE 863 N 0.98 0.31 -0.80 1.25 -1.00 -1.96 -2.80 116.94 112.93 2hqa h PHE 863 Ca 0.23 -0.02 0.14 0.00 2.81 0.00 0.00 57.97 61.13 2hqa h PHE 863 Cb 0.23 -0.10 -0.09 0.00 3.61 0.00 0.00 35.95 39.60 2hqa h PHE 863 CO 0.02 0.34 0.37 0.22 -1.61 0.00 0.00 178.31 177.64 2hqa h ASP 864 N 0.20 0.40 0.00 2.17 3.58 -1.94 -1.41 116.42 119.42 2hqa h ASP 864 Ca 0.07 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2hqa h ASP 864 Cb 0.15 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2hqa h ASP 864 CO -0.01 0.16 0.00 -0.11 -2.88 0.00 0.00 179.24 176.40 2hqa n LEU 865 N -4.94 0.00 -0.33 2.28 0.00 -1.15 -2.83 117.00 110.04 2hqa n LEU 865 Ca 0.16 0.90 0.24 0.00 0.00 0.00 0.00 56.01 57.31 2hqa n LEU 865 Cb 0.43 -0.40 0.54 0.00 0.00 0.00 0.00 43.42 43.98 2hqa n LEU 865 CO 0.20 -0.40 1.23 0.00 0.00 0.00 0.00 177.39 178.41 2hqa h ALA 867 N 1.60 0.77 0.01 0.00 0.00 -1.35 -3.27 119.26 117.03 2hqa h ALA 867 Ca 0.60 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2hqa h ALA 867 Cb 1.61 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2hqa h ALA 867 CO -0.28 0.58 -0.01 -0.09 0.00 0.00 0.00 179.25 179.46 2hqa h ARG 868 N 0.89 -0.01 -6.40 0.00 1.12 -0.21 -3.47 114.38 106.30 2hqa h ARG 868 Ca 0.17 0.00 -0.63 0.00 -1.11 0.00 0.00 59.98 58.40 2hqa h ARG 868 Cb 0.51 0.00 0.08 0.00 -0.01 0.00 0.00 29.97 30.56 2hqa h ARG 868 CO 0.02 0.38 0.37 -2.37 -3.11 0.00 0.00 179.97 175.26 2hqa n THR 869 N -4.73 0.87 -2.09 0.20 5.66 0.16 -4.85 114.28 109.51 2hqa n THR 869 Ca -0.04 -0.22 -0.43 0.00 -3.05 0.00 0.00 64.05 60.32 2hqa n THR 869 Cb 0.19 -1.01 -0.03 0.00 -1.55 0.00 0.00 70.33 67.94 2hqa n THR 869 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2hqa s ASP 870 N 0.09 6.58 0.53 1.09 1.11 -1.26 -4.80 116.67 120.02 2hqa s ASP 870 Ca 0.72 1.95 -0.20 0.00 0.18 0.00 0.00 52.55 55.20 2hqa s ASP 870 Cb -0.80 -2.53 -0.06 0.00 1.07 0.00 0.00 42.92 40.60 2hqa s ASP 870 CO 0.51 -1.04 1.16 -0.89 1.18 0.00 0.00 175.17 176.09 2hqa s THR 871 N 4.44 3.03 0.00 -1.27 2.01 -1.26 -1.08 115.64 121.51 2hqa s THR 871 Ca 0.71 0.68 0.00 0.00 0.31 0.00 0.00 61.69 63.39 2hqa s THR 871 Cb -0.29 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 68.93 2hqa s THR 871 CO 0.28 -0.11 0.00 0.29 -0.69 0.00 0.00 174.62 174.39 2hqa n LYS 872 N -1.14 0.00 -0.06 4.92 4.76 -1.26 -4.49 118.16 120.89 2hqa n LYS 872 Ca 0.11 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.50 2hqa n LYS 872 Cb 0.50 -2.72 -0.15 0.00 -1.84 0.00 0.00 35.03 30.81 2hqa n LYS 872 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2hqa n LYS 873 N -2.00 0.67 -2.87 1.97 4.81 -1.09 -4.34 118.16 115.31 2hqa n LYS 873 Ca 0.00 0.01 -0.37 0.00 -0.87 0.00 0.00 58.31 57.08 2hqa n LYS 873 Cb 0.00 -1.58 -0.00 0.00 0.02 0.00 0.00 35.03 33.46 2hqa n LYS 873 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2hqa n LEU 874 N -2.70 6.22 -4.26 3.14 7.99 -0.25 -4.33 117.00 122.82 2hqa n LEU 874 Ca -0.23 -5.41 -0.47 0.00 -0.01 0.00 0.00 56.01 49.89 2hqa n LEU 874 Cb 1.00 -1.03 -0.03 0.00 -0.11 0.00 0.00 43.42 43.24 2hqa n LEU 874 CO 0.44 2.02 0.05 -3.20 -1.51 0.00 0.00 177.39 175.19 2hqa n ASN 875 N 0.34 -1.07 -0.25 -1.43 2.85 -1.26 -4.66 115.26 109.77 2hqa n ASN 875 Ca 0.37 1.09 0.22 0.00 -0.11 0.00 0.00 54.58 56.15 2hqa n ASN 875 Cb 0.32 -0.91 0.55 0.00 1.24 0.00 0.00 39.78 40.98 2hqa n ASN 875 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 2hqa h ARG 876 N 1.18 0.31 -0.99 1.20 2.43 -1.97 0.43 114.38 116.96 2hqa h ARG 876 Ca -0.29 -0.02 0.14 0.00 -0.81 0.00 0.00 59.98 58.99 2hqa h ARG 876 Cb 1.39 -0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 30.78 2hqa h ARG 876 CO 0.56 0.21 0.62 -0.09 -1.51 0.00 0.00 179.97 179.76 2hqa h ARG 877 N 0.32 0.89 0.02 0.20 2.43 -2.01 -0.91 114.38 115.33 2hqa h ARG 877 Ca 0.49 -0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 59.38 2hqa h ARG 877 Cb 1.35 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2hqa h ARG 877 CO -0.16 0.59 -0.97 0.28 -1.51 0.00 0.00 179.97 178.19 2hqa h VAL 878 N 0.92 1.45 -0.14 0.20 2.07 -0.47 -3.03 116.25 117.24 2hqa h VAL 878 Ca 0.51 -2.62 -0.13 0.00 0.82 0.00 0.00 66.70 65.27 2hqa h VAL 878 Cb 0.59 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 2hqa h VAL 878 CO -0.28 0.77 -0.49 -0.07 0.02 0.00 0.00 177.57 177.52 2hqa h LEU 879 N 0.16 0.40 0.22 2.57 3.38 -0.61 0.16 115.31 121.60 2hqa h LEU 879 Ca -0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2hqa h LEU 879 Cb 1.63 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.26 2hqa h LEU 879 CO 0.16 0.83 -0.11 -0.33 0.09 0.00 0.00 178.44 179.09 2hqa h GLU 880 N 0.30 -0.29 -0.47 1.13 5.08 -1.27 -0.06 114.58 119.00 2hqa h GLU 880 Ca 0.01 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.49 2hqa h GLU 880 Cb 0.97 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.20 2hqa h GLU 880 CO 0.08 -0.03 -0.14 0.87 -1.00 0.00 0.00 179.01 178.80 2hqa h LYS 881 N -0.53 -0.03 -0.35 2.33 1.79 -1.44 -2.21 116.57 116.12 2hqa h LYS 881 Ca -0.03 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2hqa h LYS 881 Cb 0.40 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 2hqa h LYS 881 CO 0.05 -0.02 0.20 -0.07 -1.08 0.00 0.00 179.45 178.53 2hqa h LEU 882 N -0.03 0.33 -1.04 2.94 3.38 -0.64 -2.79 115.31 117.45 2hqa h LEU 882 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2hqa h LEU 882 Cb 0.38 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2hqa h LEU 882 CO -0.50 0.24 0.00 -0.38 0.09 0.00 0.00 178.44 177.89 2hqa n ILE 883 N -4.89 0.00 0.00 1.22 2.08 -0.04 -3.11 119.36 114.61 2hqa n ILE 883 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2hqa n ILE 883 Cb 0.06 -0.01 0.00 0.00 -0.75 0.00 0.00 39.64 38.94 2hqa n ILE 883 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 2hqa n SER 885 N 0.32 0.00 0.00 4.38 3.41 -1.05 -3.93 113.62 116.75 2hqa n SER 885 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2hqa n SER 885 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2hqa n SER 885 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hqa n GLY 886 N 0.00 1.64 0.24 5.00 0.00 -1.24 -4.63 105.19 106.20 2hqa n GLY 886 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2hqa n GLY 886 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hqa h ALA 887 N 0.00 1.35 -0.13 4.61 0.00 -1.62 -3.06 119.26 120.41 2hqa h ALA 887 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2hqa h ALA 887 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2hqa h ALA 887 CO 0.00 0.24 -0.03 1.19 0.00 0.00 0.00 179.25 180.64 2hqa n PHE 888 N -3.82 0.44 0.63 0.00 3.01 -1.26 -1.52 117.46 114.95 2hqa n PHE 888 Ca -0.02 -1.03 0.13 0.00 1.01 0.00 0.00 57.45 57.54 2hqa n PHE 888 Cb 0.29 -0.24 0.33 0.00 -0.01 0.00 0.00 39.48 39.84 2hqa n PHE 888 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2hqa n ASP 889 N -1.04 0.74 0.02 4.37 9.92 -1.16 -3.04 116.55 126.36 2hqa n ASP 889 Ca 0.19 0.40 0.12 0.00 -0.53 0.00 0.00 54.79 54.98 2hqa n ASP 889 Cb 0.77 -0.43 0.31 0.00 -0.64 0.00 0.00 41.12 41.13 2hqa n ASP 889 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2hqa n ARG 890 N -2.16 0.10 -0.30 -1.24 1.74 -1.26 -4.46 116.66 109.07 2hqa n ARG 890 Ca 0.05 0.04 0.08 0.00 -0.77 0.00 0.00 57.85 57.25 2hqa n ARG 890 Cb 0.43 -1.57 0.15 0.00 -1.02 0.00 0.00 32.46 30.44 2hqa n ARG 890 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2hqa n LEU 891 N -1.72 2.26 0.00 0.55 4.77 -1.17 -5.09 117.00 116.61 2hqa n LEU 891 Ca 0.05 -3.17 0.00 0.00 -0.03 0.00 0.00 56.01 52.87 2hqa n LEU 891 Cb 0.37 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2hqa n LEU 891 CO 0.33 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 2hqa n GLY 892 N -1.19 0.25 3.76 -0.72 0.00 -1.25 -4.66 105.19 101.38 2hqa n GLY 892 Ca 0.16 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 2hqa n GLY 892 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2hqa s PRO 893 N -1.02 2.67 0.85 1.61 0.02 -1.26 -4.91 135.00 132.96 2hqa s PRO 893 Ca 0.00 1.42 -0.12 0.00 0.02 0.00 0.00 61.00 62.32 2hqa s PRO 893 Cb 0.00 -1.93 0.10 0.00 0.02 0.00 0.00 34.50 32.69 2hqa s PRO 893 CO 0.00 -1.36 1.13 -1.01 -0.33 0.00 0.00 177.00 175.44 2hqa s HIS 894 N -2.34 2.74 0.08 6.54 3.76 -1.26 -4.71 115.29 120.11 2hqa s HIS 894 Ca 0.67 0.91 -0.15 0.00 -0.15 0.00 0.00 55.06 56.35 2hqa s HIS 894 Cb -0.21 -3.33 -0.03 0.00 1.11 0.00 0.00 32.58 30.11 2hqa s HIS 894 CO 0.43 -2.01 1.10 0.54 -0.85 0.00 0.00 174.74 173.95 2hqa n ARG 895 N -3.53 -0.21 -0.07 1.40 3.00 -1.26 -2.47 116.66 113.51 2hqa n ARG 895 Ca 0.07 1.09 -0.08 0.00 -0.01 0.00 0.00 57.85 58.91 2hqa n ARG 895 Cb 0.59 -1.61 -0.02 0.00 0.00 0.00 0.00 32.46 31.42 2hqa n ARG 895 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hqa h ALA 896 N -0.12 -0.20 -0.11 7.54 0.00 -1.97 -1.64 119.26 122.76 2hqa h ALA 896 Ca 0.08 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2hqa h ALA 896 Cb 0.20 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2hqa h ALA 896 CO -0.45 -0.72 0.09 0.00 0.00 0.00 0.00 179.25 178.16 2hqa h ALA 897 N 0.71 1.98 -0.12 0.00 0.00 -1.86 -2.74 119.26 117.24 2hqa h ALA 897 Ca 0.15 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2hqa h ALA 897 Cb 0.52 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2hqa h ALA 897 CO -0.45 -0.14 0.02 1.28 0.00 0.00 0.00 179.25 179.96 2hqa n LEU 898 N -4.31 5.60 0.00 0.00 7.99 -0.62 -2.26 117.00 123.39 2hqa n LEU 898 Ca -0.00 -2.82 0.00 0.00 -0.01 0.00 0.00 56.01 53.17 2hqa n LEU 898 Cb 0.20 -1.18 0.00 0.00 -0.11 0.00 0.00 43.42 42.33 2hqa n LEU 898 CO 0.33 1.23 0.00 0.59 -1.51 0.00 0.00 177.39 178.03 2hqa n ASN 900 N 1.46 0.00 -0.01 -1.43 5.03 -1.03 0.30 115.26 119.57 2hqa n ASN 900 Ca 0.17 0.00 0.08 0.00 0.87 0.00 0.00 54.58 55.70 2hqa n ASN 900 Cb 0.60 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 39.24 2hqa n ASN 900 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2hqa n SER 901 N 0.00 1.16 -0.21 6.41 7.64 -0.96 -4.63 113.62 123.04 2hqa n SER 901 Ca 0.00 -0.11 -0.03 0.00 1.01 0.00 0.00 58.87 59.74 2hqa n SER 901 Cb 0.00 1.66 0.08 0.00 -1.01 0.00 0.00 64.21 64.94 2hqa n SER 901 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2hqa h LEU 902 N 0.00 0.50 -0.34 -3.43 6.46 -0.44 -1.28 115.31 116.78 2hqa h LEU 902 Ca 0.00 0.03 0.07 0.00 -0.12 0.00 0.00 57.88 57.86 2hqa h LEU 902 Cb 0.71 -0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 40.48 2hqa h LEU 902 CO 0.00 0.33 -0.28 1.23 -0.62 0.00 0.00 178.44 179.10 2hqa h GLY 903 N 0.63 -0.18 1.03 3.75 0.00 -1.84 -2.28 103.07 104.18 2hqa h GLY 903 Ca 0.27 0.36 -0.12 0.00 0.00 0.00 0.00 47.33 47.84 2hqa h GLY 903 CO -0.17 -0.21 -0.25 -0.55 0.00 0.00 0.00 176.54 175.36 2hqa h ASP 904 N -0.25 0.86 -0.54 0.19 3.32 -1.79 -2.73 116.42 115.49 2hqa h ASP 904 Ca 0.16 -0.43 0.16 0.00 0.02 0.00 0.00 57.03 56.94 2hqa h ASP 904 Cb 0.51 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2hqa h ASP 904 CO -0.48 1.11 0.52 0.00 -1.72 0.00 0.00 179.24 178.67 2hqa h ALA 905 N 0.78 2.32 0.00 3.45 0.00 -0.97 -1.01 119.26 123.83 2hqa h ALA 905 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2hqa h ALA 905 Cb 0.82 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2hqa h ALA 905 CO 0.07 -0.79 -0.83 -0.11 0.00 0.00 0.00 179.25 177.58 2hqa n LEU 906 N -3.83 0.64 -0.01 0.00 0.00 -0.88 -3.79 117.00 109.13 2hqa n LEU 906 Ca 0.10 -0.06 -0.07 0.00 0.00 0.00 0.00 56.01 55.98 2hqa n LEU 906 Cb 0.73 -0.14 -0.13 0.00 0.00 0.00 0.00 43.42 43.88 2hqa n LEU 906 CO 0.30 0.09 -0.44 0.11 0.00 0.00 0.00 177.39 177.45 2hqa h LYS 907 N 0.00 0.00 0.00 1.96 1.79 -1.15 -3.35 116.57 115.81 2hqa h LYS 907 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2hqa h LYS 907 Cb 0.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2hqa h LYS 907 CO 0.00 0.50 0.00 0.00 -1.08 0.00 0.00 179.45 178.87 2hqa n ALA 908 N -2.52 1.92 -0.04 3.86 0.00 -1.06 -3.88 120.51 118.80 2hqa n ALA 908 Ca -0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 53.44 53.28 2hqa n ALA 908 Cb 1.01 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 19.08 2hqa n ALA 908 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hqa h ALA 909 N 2.52 0.00 -0.22 0.00 0.00 -1.70 -3.43 119.26 116.43 2hqa h ALA 909 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2hqa h ALA 909 Cb 0.44 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2hqa h ALA 909 CO 0.00 0.04 0.16 -0.40 0.00 0.00 0.00 179.25 179.05 2hqa n ASP 910 N -4.09 1.32 0.00 0.00 5.75 -1.25 -4.91 116.55 113.37 2hqa n ASP 910 Ca -0.01 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 2hqa n ASP 910 Cb 0.02 -1.59 0.00 0.00 -1.03 0.00 0.00 41.12 38.52 2hqa n ASP 910 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09