#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3maq n HIS 0 N 0.00 2.02 -4.12 6.00 -0.00 -1.25 -2.08 115.22 115.79 3maq n HIS 0 Ca 0.00 0.48 -0.15 0.00 0.46 0.00 0.00 57.72 58.52 3maq n HIS 0 Cb 0.00 -2.48 -0.12 0.00 -0.12 0.00 0.00 29.99 27.27 3maq n HIS 0 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 3maq s MET 1 N 3.89 0.57 -0.03 1.57 1.75 -0.39 -4.94 119.30 121.72 3maq s MET 1 Ca 1.00 -0.63 0.05 0.00 -1.25 0.00 0.00 55.69 54.86 3maq s MET 1 Cb -1.04 -0.42 -0.01 0.00 2.84 0.00 0.00 34.83 36.19 3maq s MET 1 CO 0.64 0.09 -0.19 0.00 -0.65 0.00 0.00 175.02 174.91 3maq s ALA 2 N -1.01 1.65 0.14 4.11 0.00 -1.26 -2.60 121.76 122.79 3maq s ALA 2 Ca -0.05 -0.81 -0.22 0.00 0.00 0.00 0.00 51.96 50.87 3maq s ALA 2 Cb -0.08 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.63 3maq s ALA 2 CO 0.00 0.36 0.57 -1.14 0.00 0.00 0.00 175.76 175.55 3maq s GLN 3 N -0.25 1.22 -0.07 0.00 0.74 -0.41 -4.97 119.66 115.93 3maq s GLN 3 Ca 0.02 -0.46 -0.07 0.00 0.05 0.00 0.00 55.36 54.90 3maq s GLN 3 Cb -0.10 0.56 -0.04 0.00 1.10 0.00 0.00 33.01 34.53 3maq s GLN 3 CO 0.01 -0.52 0.20 0.00 -0.55 0.00 0.00 175.29 174.43 3maq s ALA 4 N -3.56 3.86 0.29 1.58 0.00 -1.26 -0.10 121.76 122.56 3maq s ALA 4 Ca 0.00 -0.59 -0.19 0.00 0.00 0.00 0.00 51.96 51.18 3maq s ALA 4 Cb -0.00 -2.03 0.02 0.00 0.00 0.00 0.00 23.12 21.11 3maq s ALA 4 CO -0.11 0.62 0.69 0.20 0.00 0.00 0.00 175.76 177.16 3maq s GLY 5 N -1.27 0.05 -0.12 0.00 0.00 -0.42 -4.55 107.32 101.01 3maq s GLY 5 Ca 0.20 -0.44 -0.00 0.00 0.00 0.00 0.00 44.72 44.48 3maq s GLY 5 CO 0.09 -0.19 -0.10 -0.12 0.00 0.00 0.00 173.10 172.78 3maq s PHE 6 N -3.79 1.73 0.05 1.90 5.36 -0.42 -0.28 117.98 122.54 3maq s PHE 6 Ca 0.13 -0.91 -0.31 0.00 -0.96 0.00 0.00 56.93 54.89 3maq s PHE 6 Cb -0.05 -1.36 -0.08 0.00 -0.34 0.00 0.00 43.02 41.19 3maq s PHE 6 CO 0.08 -0.56 1.61 0.42 -1.46 0.00 0.00 175.22 175.31 3maq s ILE 7 N 1.59 3.19 -0.28 3.12 1.01 -0.42 -0.76 121.20 128.65 3maq s ILE 7 Ca 0.04 0.60 -0.14 0.00 0.00 0.00 0.00 60.65 61.16 3maq s ILE 7 Cb -0.13 -3.39 -0.13 0.00 0.01 0.00 0.00 42.46 38.83 3maq s ILE 7 CO -0.09 -0.01 -0.32 0.18 0.00 0.00 0.00 174.94 174.70 3maq n LEU 8 N 5.67 1.98 -4.09 2.97 4.77 0.32 -4.81 117.00 123.81 3maq n LEU 8 Ca 0.15 0.33 -0.11 0.00 -0.03 0.00 0.00 56.01 56.35 3maq n LEU 8 Cb 0.41 -0.83 -0.11 0.00 -2.33 0.00 0.00 43.42 40.56 3maq n LEU 8 CO 0.62 0.57 -0.39 0.42 -1.33 0.00 0.00 177.39 177.28 3maq s THR 9 N -2.50 0.52 -0.02 -5.08 -4.23 -1.19 -4.71 115.64 98.43 3maq s THR 9 Ca -0.38 -1.38 0.08 0.00 -1.18 0.00 0.00 61.69 58.83 3maq s THR 9 Cb 0.14 -0.97 -0.02 0.00 1.34 0.00 0.00 72.50 72.99 3maq s THR 9 CO 0.50 -0.59 -0.25 -0.13 -0.54 0.00 0.00 174.62 173.61 3maq s ARG 10 N -2.43 2.03 0.03 3.99 0.52 -1.26 -1.12 118.95 120.72 3maq s ARG 10 Ca -0.03 -0.91 -0.04 0.00 -0.52 0.00 0.00 55.73 54.24 3maq s ARG 10 Cb -0.04 -1.97 -0.02 0.00 0.52 0.00 0.00 34.95 33.44 3maq s ARG 10 CO -0.02 0.54 0.06 -1.01 0.02 0.00 0.00 175.30 174.89 3maq s HIS 11 N -0.60 0.24 0.02 -0.53 3.76 0.59 -5.00 115.29 113.76 3maq s HIS 11 Ca 0.10 -0.55 -0.21 0.00 -0.15 0.00 0.00 55.06 54.25 3maq s HIS 11 Cb -0.10 -0.17 0.04 0.00 1.11 0.00 0.00 32.58 33.46 3maq s HIS 11 CO -0.01 -0.33 0.47 1.67 -0.85 0.00 0.00 174.74 175.69 3maq s TRP 12 N -2.47 -0.36 -0.19 1.40 1.48 -1.25 -0.65 118.94 116.90 3maq s TRP 12 Ca -0.06 0.45 -0.28 0.00 -1.06 0.00 0.00 56.10 55.16 3maq s TRP 12 Cb -0.02 0.26 0.09 0.00 -1.16 0.00 0.00 33.47 32.63 3maq s TRP 12 CO -0.04 -0.56 0.80 -0.98 -4.06 0.00 0.00 176.95 172.11 3maq s ARG 13 N -2.00 0.81 0.29 3.25 1.70 -0.20 -4.96 118.95 117.84 3maq s ARG 13 Ca -0.08 0.58 -0.22 0.00 -0.47 0.00 0.00 55.73 55.54 3maq s ARG 13 Cb -0.02 0.39 -0.09 0.00 -0.57 0.00 0.00 34.95 34.66 3maq s ARG 13 CO 0.01 -0.17 0.84 -0.51 -1.08 0.00 0.00 175.30 174.39 3maq s ASP 14 N -0.33 7.16 0.20 -2.89 1.01 -1.26 0.04 116.67 120.61 3maq s ASP 14 Ca -0.03 1.63 -0.05 0.00 0.71 0.00 0.00 52.55 54.80 3maq s ASP 14 Cb -0.03 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 3maq s ASP 14 CO 0.02 -0.06 0.25 0.42 0.21 0.00 0.00 175.17 176.01 3maq s THR 15 N -1.64 0.02 0.59 -1.27 -4.23 -1.12 -4.91 115.64 103.07 3maq s THR 15 Ca 0.48 -1.75 0.30 0.00 -1.18 0.00 0.00 61.69 59.54 3maq s THR 15 Cb -0.17 -2.30 0.36 0.00 1.34 0.00 0.00 72.50 71.72 3maq s THR 15 CO 0.21 -0.07 2.26 -0.65 -0.54 0.00 0.00 174.62 175.83 3maq h PRO 16 N 2.52 0.00 -0.01 3.99 0.11 -1.99 -1.32 132.00 135.31 3maq h PRO 16 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3maq h PRO 16 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3maq h PRO 16 CO 0.48 0.00 -0.29 1.04 -0.21 0.00 0.00 178.00 179.02 3maq n GLN 17 N -3.83 0.70 0.00 1.05 3.00 -1.26 -5.05 117.38 111.99 3maq n GLN 17 Ca -0.03 -0.40 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 3maq n GLN 17 Cb 0.08 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.83 3maq n GLN 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3maq n GLY 18 N 1.36 2.71 3.71 1.08 0.00 -0.50 -4.86 105.19 108.69 3maq n GLY 18 Ca 0.11 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 3maq n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3maq s THR 19 N -2.05 3.48 -0.24 2.61 2.01 -1.16 -2.77 115.64 117.50 3maq s THR 19 Ca 0.00 1.02 -0.10 0.00 0.31 0.00 0.00 61.69 62.92 3maq s THR 19 Cb 0.00 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 3maq s THR 19 CO 0.00 0.06 0.15 -0.70 -0.69 0.00 0.00 174.62 173.44 3maq s GLU 20 N 1.42 4.02 -0.10 4.92 2.12 0.11 -1.84 118.70 129.35 3maq s GLU 20 Ca 0.64 -0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.69 3maq s GLU 20 Cb -0.35 -3.51 -0.02 0.00 0.26 0.00 0.00 34.13 30.51 3maq s GLU 20 CO 0.29 0.03 -0.15 0.08 -0.54 0.00 0.00 175.26 174.97 3maq s VAL 21 N 1.12 2.91 0.05 3.70 1.01 -1.26 -1.03 120.40 126.91 3maq s VAL 21 Ca 0.07 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 3maq s VAL 21 Cb -0.14 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 3maq s VAL 21 CO 0.05 0.55 0.03 -0.94 0.00 0.00 0.00 175.10 174.80 3maq s SER 22 N -0.05 0.33 0.04 3.32 1.04 0.17 -0.89 113.70 117.66 3maq s SER 22 Ca -0.03 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.61 3maq s SER 22 Cb -0.14 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 3maq s SER 22 CO 0.04 -0.57 -0.05 -0.36 0.98 0.00 0.00 173.24 173.28 3maq s PHE 23 N -3.36 0.50 -0.17 5.02 0.08 0.18 -0.30 117.98 119.92 3maq s PHE 23 Ca 0.02 -0.71 -0.01 0.00 0.12 0.00 0.00 56.93 56.34 3maq s PHE 23 Cb 0.04 -0.33 -0.01 0.00 -0.57 0.00 0.00 43.02 42.15 3maq s PHE 23 CO -0.08 -0.21 -0.11 -1.58 -0.10 0.00 0.00 175.22 173.14 3maq s TRP 24 N -2.34 2.86 0.06 0.36 0.52 -0.27 -1.10 118.94 119.03 3maq s TRP 24 Ca -0.05 -0.90 0.05 0.00 0.02 0.00 0.00 56.10 55.22 3maq s TRP 24 Cb -0.03 -1.95 -0.04 0.00 -1.15 0.00 0.00 33.47 30.30 3maq s TRP 24 CO -0.03 -0.43 -0.06 -0.51 0.02 0.00 0.00 176.95 175.94 3maq s LEU 25 N 0.91 3.22 -0.25 2.99 1.43 0.92 -0.52 118.68 127.38 3maq s LEU 25 Ca -0.02 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 52.75 3maq s LEU 25 Cb -0.15 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 3maq s LEU 25 CO -0.00 0.21 0.14 0.00 0.23 0.00 0.00 176.35 176.93 3maq s ALA 26 N -1.17 3.43 0.44 4.21 0.00 0.06 -0.09 121.76 128.64 3maq s ALA 26 Ca 0.21 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.17 3maq s ALA 26 Cb -0.11 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 3maq s ALA 26 CO 0.13 -0.40 0.06 0.95 0.00 0.00 0.00 175.76 176.49 3maq s THR 27 N 1.46 1.06 0.52 0.00 -4.23 -0.93 -1.29 115.64 112.23 3maq s THR 27 Ca 0.06 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 58.89 3maq s THR 27 Cb -0.15 -2.41 0.35 0.00 1.34 0.00 0.00 72.50 71.64 3maq s THR 27 CO 0.07 0.00 2.21 0.44 -0.54 0.00 0.00 174.62 176.79 3maq h ASP 28 N 1.65 0.00 -0.42 3.99 3.32 -1.93 -1.15 116.42 121.88 3maq h ASP 28 Ca -0.40 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.61 3maq h ASP 28 Cb 1.28 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 3maq h ASP 28 CO 0.68 0.04 0.03 0.59 -1.72 0.00 0.00 179.24 178.86 3maq n ASN 29 N -3.60 4.53 0.00 6.45 3.02 -1.26 -5.00 115.26 119.40 3maq n ASN 29 Ca -0.02 -3.06 0.00 0.00 -0.03 0.00 0.00 54.58 51.46 3maq n ASN 29 Cb 0.14 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 3maq n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3maq n GLY 30 N -0.14 -3.36 3.77 7.41 0.00 -0.44 -5.00 105.19 107.42 3maq n GLY 30 Ca 0.26 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 3maq n GLY 30 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3maq n PRO 31 N -0.02 2.55 -3.80 1.61 -0.04 -1.26 -2.20 135.00 131.84 3maq n PRO 31 Ca 0.00 0.90 -0.23 0.00 -0.04 0.00 0.00 63.50 64.13 3maq n PRO 31 Cb 0.00 -2.65 -0.17 0.00 -0.04 0.00 0.00 33.50 30.63 3maq n PRO 31 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3maq s LEU 32 N -2.19 0.67 0.06 1.53 2.96 0.87 -4.93 118.68 117.64 3maq s LEU 32 Ca 0.55 -0.11 -0.21 0.00 -0.22 0.00 0.00 54.13 54.14 3maq s LEU 32 Cb -0.47 -0.48 -0.06 0.00 0.50 0.00 0.00 46.19 45.68 3maq s LEU 32 CO 0.62 -0.18 0.63 -1.58 -1.32 0.00 0.00 176.35 174.52 3maq s GLN 33 N 1.91 4.33 -0.08 1.98 0.74 -1.26 -0.05 119.66 127.23 3maq s GLN 33 Ca 0.04 0.84 0.01 0.00 0.05 0.00 0.00 55.36 56.31 3maq s GLN 33 Cb -0.12 -3.29 0.02 0.00 1.10 0.00 0.00 33.01 30.71 3maq s GLN 33 CO -0.05 0.49 -0.10 0.08 -0.55 0.00 0.00 175.29 175.17 3maq s VAL 34 N -0.68 1.01 -0.07 1.34 1.01 -0.26 -1.81 120.40 120.94 3maq s VAL 34 Ca 0.32 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.98 3maq s VAL 34 Cb -0.20 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 3maq s VAL 34 CO 0.20 0.34 -0.22 -0.89 0.00 0.00 0.00 175.10 174.52 3maq s THR 35 N 1.02 1.89 0.63 3.92 2.01 0.11 -0.65 115.64 124.58 3maq s THR 35 Ca -0.08 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 60.94 3maq s THR 35 Cb -0.15 -1.63 0.05 0.00 0.01 0.00 0.00 72.50 70.79 3maq s THR 35 CO -0.00 0.53 0.90 -0.76 -0.69 0.00 0.00 174.62 174.59 3maq s LEU 36 N 0.12 3.03 0.69 4.42 1.43 -0.07 -1.91 118.68 126.40 3maq s LEU 36 Ca -0.10 0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 3maq s LEU 36 Cb -0.15 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.07 3maq s LEU 36 CO 0.05 -1.38 1.06 0.00 0.23 0.00 0.00 176.35 176.32 3maq s ALA 37 N -3.02 2.81 0.30 4.21 0.00 -1.26 -4.61 121.76 120.19 3maq s ALA 37 Ca 0.59 -0.12 -0.28 0.00 0.00 0.00 0.00 51.96 52.15 3maq s ALA 37 Cb -0.11 -3.10 -0.14 0.00 0.00 0.00 0.00 23.12 19.78 3maq s ALA 37 CO 0.42 -1.10 1.09 -0.35 0.00 0.00 0.00 175.76 175.82 3maq n PRO 38 N -3.02 1.57 -4.98 0.00 -0.04 -1.26 -4.72 135.00 122.55 3maq n PRO 38 Ca 0.07 0.55 -0.32 0.00 -0.04 0.00 0.00 63.50 63.75 3maq n PRO 38 Cb 0.55 -1.98 -0.15 0.00 -0.04 0.00 0.00 33.50 31.88 3maq n PRO 38 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3maq s GLN 39 N -1.62 2.92 0.51 0.54 -1.52 -0.77 -4.93 119.66 114.79 3maq s GLN 39 Ca 0.58 -0.76 -0.17 0.00 -1.95 0.00 0.00 55.36 53.06 3maq s GLN 39 Cb -0.67 -2.42 -0.08 0.00 -0.22 0.00 0.00 33.01 29.63 3maq s GLN 39 CO 0.60 0.36 0.99 -1.21 -0.25 0.00 0.00 175.29 175.78 3maq s GLU 40 N -0.06 3.92 -0.12 2.91 2.02 -1.26 -4.12 118.70 121.99 3maq s GLU 40 Ca -0.04 0.99 -0.06 0.00 0.02 0.00 0.00 54.97 55.88 3maq s GLU 40 Cb -0.14 -2.13 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 3maq s GLU 40 CO 0.04 -0.29 0.10 -1.12 0.02 0.00 0.00 175.26 174.01 3maq s SER 41 N -2.97 6.02 0.02 -0.19 0.01 0.28 -4.91 113.70 111.96 3maq s SER 41 Ca 0.60 0.35 0.06 0.00 1.31 0.00 0.00 55.95 58.26 3maq s SER 41 Cb -0.10 -1.90 -0.02 0.00 0.21 0.00 0.00 66.02 64.21 3maq s SER 41 CO 0.30 0.38 -0.17 0.54 0.41 0.00 0.00 173.24 174.70 3maq s VAL 42 N -0.84 1.33 0.14 3.43 0.11 -1.26 -1.20 120.40 122.11 3maq s VAL 42 Ca 0.13 -0.92 0.00 0.00 -2.93 0.00 0.00 61.98 58.27 3maq s VAL 42 Cb -0.12 -1.15 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 3maq s VAL 42 CO 0.03 0.21 0.03 0.00 -3.33 0.00 0.00 175.10 172.03 3maq s ALA 43 N -0.64 1.06 0.03 1.54 0.00 -0.69 -4.53 121.76 118.53 3maq s ALA 43 Ca 0.05 -1.51 0.08 0.00 0.00 0.00 0.00 51.96 50.58 3maq s ALA 43 Cb -0.07 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 3maq s ALA 43 CO 0.01 -0.40 -0.22 -0.06 0.00 0.00 0.00 175.76 175.08 3maq s PHE 44 N -3.86 1.95 -0.02 0.00 0.08 0.12 -0.09 117.98 116.15 3maq s PHE 44 Ca 0.23 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 56.92 3maq s PHE 44 Cb 0.07 -1.18 0.00 0.00 -0.57 0.00 0.00 43.02 41.34 3maq s PHE 44 CO 0.02 0.07 -0.08 0.42 -0.10 0.00 0.00 175.22 175.55 3maq s ILE 45 N -0.73 0.65 0.30 0.64 1.01 0.00 0.41 121.20 123.48 3maq s ILE 45 Ca 0.09 -0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 3maq s ILE 45 Cb -0.09 -0.57 -0.11 0.00 0.01 0.00 0.00 42.46 41.70 3maq s ILE 45 CO 0.01 0.20 1.44 -2.84 0.00 0.00 0.00 174.94 173.76 3maq s PRO 46 N 0.11 4.23 0.35 2.79 0.02 -1.26 0.12 135.00 141.36 3maq s PRO 46 Ca -0.01 2.38 0.11 0.00 0.02 0.00 0.00 61.00 63.50 3maq s PRO 46 Cb -0.07 -3.06 0.88 0.00 0.02 0.00 0.00 34.50 32.28 3maq s PRO 46 CO 0.00 -0.42 1.81 0.00 -0.33 0.00 0.00 177.00 178.06 3maq h ALA 47 N 4.21 1.90 0.00 -1.55 0.00 -0.56 0.16 119.26 123.43 3maq h ALA 47 Ca -0.48 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3maq h ALA 47 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3maq h ALA 47 CO 0.72 -0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.34 3maq n ASP 48 N -4.65 0.00 -0.63 0.00 5.75 -1.26 -2.14 116.55 113.62 3maq n ASP 48 Ca 0.22 -0.00 0.07 0.00 -0.01 0.00 0.00 54.79 55.06 3maq n ASP 48 Cb 0.62 -0.28 0.10 0.00 -1.03 0.00 0.00 41.12 40.53 3maq n ASP 48 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3maq n GLN 49 N -1.28 1.51 -0.18 0.11 6.02 0.56 -4.61 117.38 119.50 3maq n GLN 49 Ca 0.09 -1.59 -0.08 0.00 -0.01 0.00 0.00 57.00 55.42 3maq n GLN 49 Cb 0.16 -1.29 0.01 0.00 1.02 0.00 0.00 30.24 30.15 3maq n GLN 49 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3maq h VAL 50 N 2.66 1.22 -0.89 5.09 2.07 -1.33 -2.03 116.25 123.04 3maq h VAL 50 Ca 0.00 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 66.91 3maq h VAL 50 Cb 0.64 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 3maq h VAL 50 CO 0.00 0.26 0.55 -0.65 0.02 0.00 0.00 177.57 177.75 3maq h PRO 51 N 0.70 0.97 -0.23 1.57 0.11 -1.81 -0.62 132.00 132.68 3maq h PRO 51 Ca 0.17 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.10 3maq h PRO 51 Cb 0.20 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3maq h PRO 51 CO -0.01 0.64 -0.39 -0.09 -0.21 0.00 0.00 178.00 177.94 3maq h ARG 52 N 1.00 0.54 -0.47 1.05 2.43 -1.84 -2.77 114.38 114.32 3maq h ARG 52 Ca 0.39 -0.27 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3maq h ARG 52 Cb 0.19 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3maq h ARG 52 CO -0.18 0.84 0.10 0.00 -1.51 0.00 0.00 179.97 179.22 3maq h ALA 53 N 1.13 1.29 -0.48 2.80 0.00 -0.53 -2.47 119.26 121.01 3maq h ALA 53 Ca 0.04 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3maq h ALA 53 Cb 0.88 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3maq h ALA 53 CO 0.08 0.49 -0.10 1.96 0.00 0.00 0.00 179.25 181.68 3maq h GLN 54 N 0.69 0.87 -0.34 0.00 4.20 -0.88 -1.57 115.11 118.08 3maq h GLN 54 Ca 0.15 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.43 3maq h GLN 54 Cb 0.28 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3maq h GLN 54 CO 0.00 0.93 -0.32 0.45 -0.67 0.00 0.00 178.83 179.23 3maq h HIS 55 N 0.78 0.88 -0.62 2.96 3.86 -1.27 0.03 115.15 121.76 3maq h HIS 55 Ca 0.13 -0.23 -0.07 0.00 -1.16 0.00 0.00 60.37 59.04 3maq h HIS 55 Cb 0.61 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.86 3maq h HIS 55 CO 0.04 0.97 0.11 0.82 0.86 0.00 0.00 177.93 180.72 3maq h ILE 56 N 0.64 1.25 -0.53 2.45 1.08 -1.28 -2.84 117.51 118.28 3maq h ILE 56 Ca 0.07 -0.98 0.00 0.00 -0.39 0.00 0.00 64.86 63.56 3maq h ILE 56 Cb 0.84 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 35.25 3maq h ILE 56 CO 0.07 0.37 0.00 0.18 -0.69 0.00 0.00 178.15 178.08 3maq n LEU 57 N -4.23 2.98 -4.68 1.44 4.77 -0.60 -4.94 117.00 111.73 3maq n LEU 57 Ca 0.04 -1.49 -0.45 0.00 -0.03 0.00 0.00 56.01 54.08 3maq n LEU 57 Cb 0.27 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 3maq n LEU 57 CO 0.42 0.71 1.28 1.67 -1.33 0.00 0.00 177.39 180.14 3maq n GLN 58 N 1.03 2.34 -0.16 3.23 -0.06 -0.02 -1.05 117.38 122.68 3maq n GLN 58 Ca 0.18 0.85 0.00 0.00 -2.00 0.00 0.00 57.00 56.03 3maq n GLN 58 Cb 0.48 -2.65 0.00 0.00 -4.06 0.00 0.00 30.24 24.02 3maq n GLN 58 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3maq n GLY 59 N 3.68 0.68 3.91 1.69 0.00 -1.26 -5.06 105.19 108.83 3maq n GLY 59 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3maq n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3maq s GLU 60 N -0.74 3.54 0.19 1.61 0.41 -0.22 -5.11 118.70 118.38 3maq s GLU 60 Ca 0.00 -0.26 0.05 0.00 -0.41 0.00 0.00 54.97 54.36 3maq s GLU 60 Cb 0.00 -2.90 -0.05 0.00 -1.78 0.00 0.00 34.13 29.40 3maq s GLU 60 CO 0.00 0.49 -0.09 -0.65 -0.49 0.00 0.00 175.26 174.52 3maq s GLN 61 N -2.78 1.23 0.00 1.61 -0.21 -1.26 -4.88 119.66 113.36 3maq s GLN 61 Ca 0.39 -1.56 0.00 0.00 0.02 0.00 0.00 55.36 54.21 3maq s GLN 61 Cb -0.12 -0.82 0.00 0.00 1.00 0.00 0.00 33.01 33.07 3maq s GLN 61 CO 0.27 0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.92 3maq n GLY 62 N -0.32 0.60 3.30 3.09 0.00 -1.26 -5.04 105.19 105.56 3maq n GLY 62 Ca -0.08 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 3maq n GLY 62 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3maq s PHE 63 N -2.00 0.24 0.01 1.61 -0.12 -1.26 -3.18 117.98 113.28 3maq s PHE 63 Ca 0.00 -0.62 -0.09 0.00 -0.05 0.00 0.00 56.93 56.17 3maq s PHE 63 Cb 0.00 -0.01 0.00 0.00 -0.63 0.00 0.00 43.02 42.39 3maq s PHE 63 CO 0.00 -0.67 0.17 -0.98 -0.05 0.00 0.00 175.22 173.69 3maq s ARG 64 N -3.91 0.55 -0.23 1.99 1.70 -0.75 -4.97 118.95 113.33 3maq s ARG 64 Ca 0.12 -0.42 -0.02 0.00 -0.47 0.00 0.00 55.73 54.93 3maq s ARG 64 Cb 0.03 0.23 0.02 0.00 -0.57 0.00 0.00 34.95 34.66 3maq s ARG 64 CO -0.05 -0.14 -0.08 -0.51 -1.08 0.00 0.00 175.30 173.44 3maq s LEU 65 N -1.53 2.93 -0.06 -1.89 1.43 -1.25 -0.41 118.68 117.91 3maq s LEU 65 Ca -0.13 -0.72 0.03 0.00 -1.03 0.00 0.00 54.13 52.28 3maq s LEU 65 Cb -0.06 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.52 3maq s LEU 65 CO 0.01 -0.08 -0.13 -0.89 0.23 0.00 0.00 176.35 175.49 3maq s THR 66 N 1.36 1.17 0.21 5.49 2.01 0.53 -4.90 115.64 121.51 3maq s THR 66 Ca 0.02 -0.52 -0.31 0.00 0.31 0.00 0.00 61.69 61.19 3maq s THR 66 Cb -0.15 -1.05 -0.10 0.00 0.01 0.00 0.00 72.50 71.20 3maq s THR 66 CO -0.06 0.36 1.55 -2.84 -0.69 0.00 0.00 174.62 172.94 3maq s PRO 67 N 0.49 4.21 0.14 4.92 0.02 -1.26 0.28 135.00 143.80 3maq s PRO 67 Ca -0.11 2.39 0.07 0.00 0.02 0.00 0.00 61.00 63.36 3maq s PRO 67 Cb -0.14 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.22 3maq s PRO 67 CO 0.03 -0.57 -0.15 -0.51 -0.33 0.00 0.00 177.00 175.47 3maq s LEU 68 N 0.51 2.42 -1.42 -5.54 1.43 -1.15 -4.87 118.68 110.06 3maq s LEU 68 Ca 0.67 -0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 52.83 3maq s LEU 68 Cb -0.44 -0.64 0.06 0.00 0.03 0.00 0.00 46.19 45.20 3maq s LEU 68 CO 0.37 -0.11 2.34 0.00 0.23 0.00 0.00 176.35 179.17 3maq n ALA 69 N 0.44 6.25 -2.23 4.21 0.00 -1.26 -4.51 120.51 123.40 3maq n ALA 69 Ca -0.15 -3.97 -0.09 0.00 0.00 0.00 0.00 53.44 49.23 3maq n ALA 69 Cb 0.57 -3.18 -0.10 0.00 0.00 0.00 0.00 19.45 16.75 3maq n ALA 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3maq s LEU 70 N 0.12 1.70 0.14 0.00 1.43 -1.26 -4.83 118.68 115.98 3maq s LEU 70 Ca 0.52 -1.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 3maq s LEU 70 Cb 0.15 0.42 -0.04 0.00 0.03 0.00 0.00 46.19 46.74 3maq s LEU 70 CO -0.06 -0.74 0.00 -0.54 0.23 0.00 0.00 176.35 175.24 3maq s LYS 71 N -4.03 0.97 0.62 1.70 1.02 0.54 -2.26 119.74 118.31 3maq s LYS 71 Ca 0.22 -1.45 0.05 0.00 0.02 0.00 0.00 55.97 54.82 3maq s LYS 71 Cb 0.07 -0.08 0.11 0.00 -0.52 0.00 0.00 37.83 37.41 3maq s LYS 71 CO 0.01 -0.14 0.86 -0.40 -0.92 0.00 0.00 175.35 174.75 3maq n ASP 72 N -0.14 1.75 0.00 2.83 5.68 -0.47 -1.57 116.55 124.64 3maq n ASP 72 Ca -0.08 -2.34 0.05 0.00 -0.50 0.00 0.00 54.79 51.92 3maq n ASP 72 Cb 0.63 -0.50 0.23 0.00 -1.14 0.00 0.00 41.12 40.33 3maq n ASP 72 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3maq n PHE 73 N -2.47 0.00 0.49 2.11 3.01 -1.26 -0.22 117.46 119.12 3maq n PHE 73 Ca 0.16 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.73 3maq n PHE 73 Cb 0.58 -0.46 0.25 0.00 -0.01 0.00 0.00 39.48 39.85 3maq n PHE 73 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3maq n HIS 74 N -1.46 0.47 -1.68 1.38 8.25 -1.26 -4.92 115.22 116.00 3maq n HIS 74 Ca 0.03 -0.24 -0.15 0.00 -0.26 0.00 0.00 57.72 57.10 3maq n HIS 74 Cb 0.11 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.17 3maq n HIS 74 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3maq n ARG 75 N 1.23 -1.08 -3.29 -0.41 1.74 0.70 -5.00 116.66 110.54 3maq n ARG 75 Ca 0.19 0.94 -0.38 0.00 -0.77 0.00 0.00 57.85 57.83 3maq n ARG 75 Cb 0.54 -5.13 -0.06 0.00 -1.02 0.00 0.00 32.46 26.79 3maq n ARG 75 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3maq s GLN 76 N -3.69 4.30 0.42 5.56 2.00 -1.26 -4.76 119.66 122.24 3maq s GLN 76 Ca 0.00 0.45 -0.26 0.00 -2.00 0.00 0.00 55.36 53.55 3maq s GLN 76 Cb 0.00 -3.47 -0.10 0.00 0.80 0.00 0.00 33.01 30.24 3maq s GLN 76 CO 0.00 0.07 1.34 -2.30 -0.50 0.00 0.00 175.29 173.90 3maq n PRO 77 N 4.00 2.10 -4.39 1.67 -0.02 -1.26 -1.36 135.00 135.74 3maq n PRO 77 Ca -0.06 0.75 -0.24 0.00 -2.02 0.00 0.00 63.50 61.93 3maq n PRO 77 Cb 0.51 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.43 3maq n PRO 77 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3maq s VAL 78 N -1.18 2.90 0.16 -1.45 -7.23 -0.96 0.20 120.40 112.84 3maq s VAL 78 Ca 0.60 -2.16 0.08 0.00 -1.81 0.00 0.00 61.98 58.69 3maq s VAL 78 Cb -0.49 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 33.88 3maq s VAL 78 CO 0.59 -0.36 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.64 3maq s TYR 79 N -2.36 2.73 -0.16 2.82 4.12 0.32 -2.93 117.35 121.89 3maq s TYR 79 Ca 0.30 -0.18 -0.09 0.00 0.02 0.00 0.00 57.07 57.12 3maq s TYR 79 Cb -0.06 -1.35 -0.05 0.00 -1.52 0.00 0.00 41.96 38.98 3maq s TYR 79 CO 0.17 0.49 0.13 0.20 0.02 0.00 0.00 175.55 176.56 3maq s GLY 80 N -2.69 2.09 -0.35 0.71 0.00 0.14 -0.82 107.32 106.41 3maq s GLY 80 Ca 0.25 -0.67 -0.09 0.00 0.00 0.00 0.00 44.72 44.21 3maq s GLY 80 CO 0.16 -0.10 0.15 -2.27 0.00 0.00 0.00 173.10 171.04 3maq s LEU 81 N -0.27 4.43 -0.15 0.66 2.96 0.87 -0.34 118.68 126.83 3maq s LEU 81 Ca 0.11 -0.98 -0.05 0.00 -0.22 0.00 0.00 54.13 53.00 3maq s LEU 81 Cb -0.11 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 3maq s LEU 81 CO 0.01 -0.33 0.01 -0.31 -1.32 0.00 0.00 176.35 174.40 3maq s TYR 82 N 1.50 3.13 0.04 5.38 2.02 0.46 -1.71 117.35 128.17 3maq s TYR 82 Ca 0.01 -0.07 0.07 0.00 -0.37 0.00 0.00 57.07 56.71 3maq s TYR 82 Cb -0.19 -1.97 -0.02 0.00 -0.40 0.00 0.00 41.96 39.38 3maq s TYR 82 CO 0.05 0.13 -0.20 0.00 -1.57 0.00 0.00 175.55 173.96 3maq h ARG 84 N 4.96 0.00 -5.70 0.00 2.47 -1.87 0.81 114.38 115.05 3maq h ARG 84 Ca -0.42 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 57.76 3maq h ARG 84 Cb 1.16 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 29.20 3maq h ARG 84 CO 0.44 0.00 -0.83 0.00 0.56 0.00 0.00 179.97 180.14 3maq s ALA 85 N -3.24 1.47 0.17 0.04 0.00 -1.26 -3.01 121.76 115.93 3maq s ALA 85 Ca 0.07 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.20 3maq s ALA 85 Cb 0.10 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.92 3maq s ALA 85 CO 0.51 0.35 1.44 1.25 0.00 0.00 0.00 175.76 179.31 3maq h HIS 86 N 5.52 0.63 -0.43 0.00 2.76 -1.91 -2.57 115.15 119.15 3maq h HIS 86 Ca -0.38 -0.27 -0.04 0.00 -2.20 0.00 0.00 60.37 57.49 3maq h HIS 86 Cb 1.15 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.99 3maq h HIS 86 CO 0.42 1.02 0.10 -0.09 -1.30 0.00 0.00 177.93 178.09 3maq h ARG 87 N 0.34 0.64 -0.59 5.26 9.65 -1.98 -0.80 114.38 126.89 3maq h ARG 87 Ca -0.02 -0.11 -0.09 0.00 -1.10 0.00 0.00 59.98 58.65 3maq h ARG 87 Cb 1.26 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.72 3maq h ARG 87 CO 0.12 0.58 0.03 0.37 2.80 0.00 0.00 179.97 183.87 3maq h GLN 88 N 0.62 1.03 -0.44 0.20 4.15 -1.93 -1.37 115.11 117.37 3maq h GLN 88 Ca 0.14 -0.32 -0.12 0.00 0.77 0.00 0.00 58.65 59.12 3maq h GLN 88 Cb 0.24 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 3maq h GLN 88 CO -0.00 1.00 -0.21 1.25 -1.93 0.00 0.00 178.83 178.94 3maq h LEU 89 N 0.93 0.90 -1.06 -2.39 5.85 -0.99 -1.73 115.31 116.82 3maq h LEU 89 Ca 0.17 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 3maq h LEU 89 Cb 0.52 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3maq h LEU 89 CO 0.03 1.08 0.15 0.24 -0.34 0.00 0.00 178.44 179.60 3maq h MET 90 N 0.77 0.82 -0.25 1.25 2.86 -0.89 -0.78 114.93 118.71 3maq h MET 90 Ca 0.11 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 3maq h MET 90 Cb 0.75 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 3maq h MET 90 CO 0.06 0.73 -0.27 -0.91 1.06 0.00 0.00 176.91 177.58 3maq h ASN 91 N 0.80 0.68 -0.68 1.22 2.35 -1.01 -2.90 115.58 116.03 3maq h ASN 91 Ca 0.18 -0.48 -0.07 0.00 -0.55 0.00 0.00 56.30 55.38 3maq h ASN 91 Cb 0.26 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3maq h ASN 91 CO -0.01 1.02 0.15 1.88 -1.65 0.00 0.00 177.43 178.83 3maq h TYR 92 N 0.35 1.17 -0.83 1.19 0.05 -1.05 -1.94 116.97 115.91 3maq h TYR 92 Ca 0.04 -0.14 0.02 0.00 0.05 0.00 0.00 58.73 58.70 3maq h TYR 92 Cb 0.83 -0.33 -0.05 0.00 1.01 0.00 0.00 36.73 38.20 3maq h TYR 92 CO 0.08 0.95 0.54 1.49 -1.05 0.00 0.00 178.16 180.17 3maq h GLU 93 N 1.05 1.04 -0.49 4.88 4.22 -1.15 0.78 114.58 124.92 3maq h GLU 93 Ca 0.22 -0.06 -0.10 0.00 0.08 0.00 0.00 59.36 59.50 3maq h GLU 93 Cb 0.38 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3maq h GLU 93 CO 0.00 0.69 -0.07 -0.22 -2.18 0.00 0.00 179.01 177.24 3maq h LYS 94 N 1.08 0.91 -0.43 1.92 3.64 -1.27 0.45 116.57 122.86 3maq h LYS 94 Ca 0.32 -0.32 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 3maq h LYS 94 Cb -0.05 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3maq h LYS 94 CO -0.09 0.97 -0.24 0.00 -2.27 0.00 0.00 179.45 177.82 3maq h ARG 95 N 0.76 0.89 -0.11 1.90 3.08 -0.57 -1.40 114.38 118.93 3maq h ARG 95 Ca 0.13 -0.38 -0.20 0.00 0.07 0.00 0.00 59.98 59.60 3maq h ARG 95 Cb 0.61 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3maq h ARG 95 CO 0.04 1.03 -0.75 -0.07 -1.07 0.00 0.00 179.97 179.15 3maq h LEU 96 N 0.77 0.68 -0.26 3.04 3.38 0.64 -2.12 115.31 121.45 3maq h LEU 96 Ca 0.10 -0.45 -0.10 0.00 0.09 0.00 0.00 57.88 57.52 3maq h LEU 96 Cb 0.79 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3maq h LEU 96 CO 0.07 1.21 -0.21 -0.09 0.09 0.00 0.00 178.44 179.51 3maq h ARG 97 N 0.39 0.60 0.00 1.13 2.43 -0.87 0.16 114.38 118.21 3maq h ARG 97 Ca -0.04 -0.30 -0.04 0.00 -0.81 0.00 0.00 59.98 58.79 3maq h ARG 97 Cb 1.35 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 3maq h ARG 97 CO 0.14 0.89 -0.19 0.93 -1.51 0.00 0.00 179.97 180.23 3maq h GLU 98 N 0.31 0.00 -0.71 0.20 5.08 -1.29 -2.30 114.58 115.87 3maq h GLU 98 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3maq h GLU 98 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3maq h GLU 98 CO 0.06 0.19 0.00 0.41 -1.00 0.00 0.00 179.01 178.66 3maq n GLY 99 N -0.84 1.79 2.12 -3.84 0.00 -0.80 -4.90 105.19 98.72 3maq n GLY 99 Ca -0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.58 3maq n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3maq n GLY 100 N 0.44 0.58 3.57 -0.02 0.00 -0.86 -5.01 105.19 103.87 3maq n GLY 100 Ca 0.12 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 3maq n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3maq s VAL 101 N -2.04 4.12 -0.07 1.61 1.01 0.52 -5.02 120.40 120.52 3maq s VAL 101 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 3maq s VAL 101 Cb 0.00 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3maq s VAL 101 CO 0.00 0.52 1.00 -0.89 0.00 0.00 0.00 175.10 175.74 3maq s THR 102 N -0.01 4.79 -0.08 3.92 2.01 -1.26 -3.65 115.64 121.36 3maq s THR 102 Ca 0.02 2.03 0.02 0.00 0.31 0.00 0.00 61.69 64.07 3maq s THR 102 Cb -0.13 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.09 3maq s THR 102 CO 0.02 0.06 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.19 3maq s VAL 103 N 1.66 1.24 0.03 3.82 1.01 -1.26 -4.22 120.40 122.69 3maq s VAL 103 Ca 0.50 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3maq s VAL 103 Cb -0.19 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3maq s VAL 103 CO 0.22 0.38 0.06 -0.31 0.00 0.00 0.00 175.10 175.45 3maq s TYR 104 N 0.82 3.19 -1.86 5.22 2.02 0.17 -4.68 117.35 122.23 3maq s TYR 104 Ca -0.11 0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 3maq s TYR 104 Cb -0.15 -1.67 0.00 0.00 -0.40 0.00 0.00 41.96 39.74 3maq s TYR 104 CO 0.02 0.52 0.00 0.39 -1.57 0.00 0.00 175.55 174.90 3maq n GLU 105 N 0.92 -1.57 0.23 -0.62 1.02 -1.26 -0.70 120.64 118.66 3maq n GLU 105 Ca -0.12 1.04 0.15 0.00 -0.02 0.00 0.00 57.16 58.21 3maq n GLU 105 Cb 0.52 -5.51 0.52 0.00 -0.02 0.00 0.00 31.44 26.95 3maq n GLU 105 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3maq h ALA 106 N 0.51 1.00 0.00 0.62 0.00 -1.83 -2.98 119.26 116.58 3maq h ALA 106 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3maq h ALA 106 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3maq h ALA 106 CO 0.55 0.00 0.00 0.38 0.00 0.00 0.00 179.25 180.18 3maq h ASP 107 N 0.00 0.00 -2.85 0.00 3.04 -1.92 -3.44 116.42 111.25 3maq h ASP 107 Ca 0.00 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.23 3maq h ASP 107 Cb 0.63 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.88 3maq h ASP 107 CO 0.00 0.00 0.96 -0.69 -2.04 0.00 0.00 179.24 177.47 3maq s VAL 108 N -3.47 4.09 0.48 4.15 1.01 -1.13 -5.00 120.40 120.52 3maq s VAL 108 Ca 0.03 1.31 -0.19 0.00 0.00 0.00 0.00 61.98 63.12 3maq s VAL 108 Cb 0.09 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 3maq s VAL 108 CO 0.48 -0.14 0.99 -0.13 0.00 0.00 0.00 175.10 176.30 3maq s ARG 109 N 3.71 3.96 0.21 2.72 1.81 -1.26 -4.85 118.95 125.24 3maq s ARG 109 Ca 0.60 1.17 -0.13 0.00 -1.72 0.00 0.00 55.73 55.65 3maq s ARG 109 Cb -0.24 -2.13 0.23 0.00 -0.45 0.00 0.00 34.95 32.36 3maq s ARG 109 CO 0.19 -0.27 1.63 -1.35 -0.68 0.00 0.00 175.30 174.82 3maq h PRO 110 N 1.48 0.01 -0.34 3.54 0.11 -1.96 -0.90 132.00 133.94 3maq h PRO 110 Ca -0.49 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3maq h PRO 110 Cb 1.20 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3maq h PRO 110 CO 0.60 0.01 0.19 -1.35 -0.21 0.00 0.00 178.00 177.24 3maq h PRO 111 N 0.01 0.47 -0.50 1.05 0.11 -1.94 -2.11 132.00 129.08 3maq h PRO 111 Ca 0.30 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.32 3maq h PRO 111 Cb 0.46 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 3maq h PRO 111 CO -0.62 0.37 0.17 0.93 -0.21 0.00 0.00 178.00 178.64 3maq h GLU 112 N 0.43 0.73 -0.55 1.05 3.07 -1.87 -1.70 114.58 115.74 3maq h GLU 112 Ca 0.12 -0.12 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 3maq h GLU 112 Cb 0.04 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 3maq h GLU 112 CO -0.02 0.63 0.18 -0.09 -1.40 0.00 0.00 179.01 178.31 3maq h ARG 113 N 0.72 0.86 -0.10 2.33 9.65 -0.88 -0.61 114.38 126.35 3maq h ARG 113 Ca 0.17 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 3maq h ARG 113 Cb 0.19 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.65 3maq h ARG 113 CO -0.01 0.78 0.01 -0.92 2.80 0.00 0.00 179.97 182.62 3maq h TYR 114 N 0.77 0.18 -0.24 2.20 3.20 -0.98 -3.01 116.97 119.09 3maq h TYR 114 Ca 0.18 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 3maq h TYR 114 Cb 0.27 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3maq h TYR 114 CO 0.02 0.40 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.77 3maq h LEU 115 N -0.09 0.51 -0.60 2.82 3.38 -1.23 -3.14 115.31 116.96 3maq h LEU 115 Ca 0.03 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.66 3maq h LEU 115 Cb 0.32 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3maq h LEU 115 CO 0.00 0.79 0.30 -0.03 0.09 0.00 0.00 178.44 179.60 3maq h MET 116 N 0.23 0.55 0.00 1.13 4.05 -1.21 0.23 114.93 119.90 3maq h MET 116 Ca 0.06 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 3maq h MET 116 Cb 0.59 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.27 3maq h MET 116 CO 0.03 0.36 0.00 0.93 0.23 0.00 0.00 176.91 178.46 3maq h GLU 117 N 0.56 0.00 -0.70 0.39 4.39 -1.59 -2.73 114.58 114.90 3maq h GLU 117 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 3maq h GLU 117 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3maq h GLU 117 CO -0.20 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.19 3maq n ARG 118 N -2.96 3.12 -2.34 2.33 1.74 -0.83 -4.94 116.66 112.78 3maq n ARG 118 Ca 0.02 -2.75 -0.20 0.00 -0.77 0.00 0.00 57.85 54.15 3maq n ARG 118 Cb 0.37 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 30.10 3maq n ARG 118 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3maq n PHE 119 N 1.44 -0.91 -3.67 -1.55 3.72 -0.90 -4.51 117.46 111.08 3maq n PHE 119 Ca 0.25 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.28 3maq n PHE 119 Cb 0.72 -3.86 -0.06 0.00 -0.94 0.00 0.00 39.48 35.35 3maq n PHE 119 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3maq s ILE 120 N -3.00 5.22 0.00 4.37 1.01 0.73 -4.81 121.20 124.73 3maq s ILE 120 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.12 3maq s ILE 120 Cb 0.00 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.88 3maq s ILE 120 CO 0.00 0.50 0.00 0.35 0.00 0.00 0.00 174.94 175.79 3maq n THR 121 N 1.56 0.00 0.00 2.92 -2.24 -1.26 -4.24 114.28 111.02 3maq n THR 121 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3maq n THR 121 Cb 0.53 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 3maq n THR 121 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3maq n SER 122 N -0.79 0.86 -4.73 3.42 7.64 -1.26 -4.91 113.62 113.84 3maq n SER 122 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 3maq n SER 122 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 3maq n SER 122 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3maq s PRO 123 N -1.93 4.40 0.22 1.43 0.02 -1.26 -1.31 135.00 136.57 3maq s PRO 123 Ca 0.00 2.00 -0.07 0.00 0.02 0.00 0.00 61.00 62.95 3maq s PRO 123 Cb 0.00 -3.23 -0.02 0.00 0.02 0.00 0.00 34.50 31.27 3maq s PRO 123 CO 0.00 -0.26 0.30 0.14 -0.33 0.00 0.00 177.00 176.85 3maq s VAL 124 N 0.37 0.01 -0.05 3.83 -7.23 0.62 -1.47 120.40 116.48 3maq s VAL 124 Ca 0.58 -1.67 0.05 0.00 -1.81 0.00 0.00 61.98 59.13 3maq s VAL 124 Cb -0.35 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 3maq s VAL 124 CO 0.35 -0.03 -0.21 0.26 -0.31 0.00 0.00 175.10 175.16 3maq s TRP 125 N -4.08 2.51 -0.06 2.82 0.51 0.23 -1.30 118.94 119.57 3maq s TRP 125 Ca 0.29 -0.44 0.03 0.00 -2.12 0.00 0.00 56.10 53.87 3maq s TRP 125 Cb 0.03 -1.59 0.00 0.00 -0.81 0.00 0.00 33.47 31.10 3maq s TRP 125 CO 0.09 -0.02 -0.16 0.54 -0.51 0.00 0.00 176.95 176.89 3maq s VAL 126 N -0.46 1.42 0.05 4.03 0.11 0.86 -1.37 120.40 125.04 3maq s VAL 126 Ca 0.05 -0.67 0.06 0.00 -2.93 0.00 0.00 61.98 58.49 3maq s VAL 126 Cb -0.12 -1.25 -0.03 0.00 -1.53 0.00 0.00 36.38 33.46 3maq s VAL 126 CO 0.01 0.42 -0.16 -1.61 -3.33 0.00 0.00 175.10 170.42 3maq s GLU 127 N 0.36 1.04 0.00 1.54 2.02 -0.73 -1.28 118.70 121.64 3maq s GLU 127 Ca -0.11 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.00 3maq s GLU 127 Cb -0.15 -1.11 0.00 0.00 0.10 0.00 0.00 34.13 32.98 3maq s GLU 127 CO 0.04 0.27 0.00 0.41 0.02 0.00 0.00 175.26 176.00 3maq n GLY 128 N 1.69 -1.14 3.60 -1.39 0.00 -1.07 -0.91 105.19 105.98 3maq n GLY 128 Ca -0.18 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 3maq n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3maq s ASP 129 N -4.00 5.33 0.03 1.61 1.01 -0.48 -1.26 116.67 118.90 3maq s ASP 129 Ca 0.00 0.03 -0.30 0.00 0.71 0.00 0.00 52.55 52.99 3maq s ASP 129 Cb 0.00 -1.84 -0.05 0.00 1.01 0.00 0.00 42.92 42.04 3maq s ASP 129 CO 0.00 0.21 1.14 -0.32 0.21 0.00 0.00 175.17 176.41 3maq s MET 130 N 0.16 4.45 -0.27 8.23 -2.45 -0.89 -0.46 119.30 128.08 3maq s MET 130 Ca 0.02 1.66 -0.04 0.00 -1.25 0.00 0.00 55.69 56.09 3maq s MET 130 Cb -0.13 -3.41 0.09 0.00 1.25 0.00 0.00 34.83 32.63 3maq s MET 130 CO 0.01 -0.24 0.11 -1.58 1.05 0.00 0.00 175.02 174.38 3maq s HIS 131 N 1.24 0.56 -1.38 4.11 2.46 0.23 -4.06 115.29 118.44 3maq s HIS 131 Ca 0.56 -0.92 -0.03 0.00 0.47 0.00 0.00 55.06 55.15 3maq s HIS 131 Cb -0.26 -1.00 0.02 0.00 -0.13 0.00 0.00 32.58 31.20 3maq s HIS 131 CO 0.28 -0.77 0.69 0.09 -2.47 0.00 0.00 174.74 172.55 3maq n ASN 132 N 5.18 -1.62 0.00 9.88 3.02 -1.26 -1.86 115.26 128.60 3maq n ASN 132 Ca -0.06 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 3maq n ASN 132 Cb 0.43 -3.77 0.00 0.00 -0.61 0.00 0.00 39.78 35.83 3maq n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3maq n GLY 133 N -1.68 1.21 3.48 7.41 0.00 -1.26 -5.03 105.19 109.32 3maq n GLY 133 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 3maq n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3maq s THR 134 N -3.12 2.98 -0.20 2.61 2.01 -0.78 -4.49 115.64 114.66 3maq s THR 134 Ca 0.00 -0.99 -0.18 0.00 0.31 0.00 0.00 61.69 60.83 3maq s THR 134 Cb 0.00 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 3maq s THR 134 CO 0.00 0.42 0.52 -0.63 -0.69 0.00 0.00 174.62 174.24 3maq s ILE 135 N -0.88 5.10 0.29 1.82 -1.09 -0.75 0.76 121.20 126.45 3maq s ILE 135 Ca 0.14 0.95 0.10 0.00 -2.23 0.00 0.00 60.65 59.61 3maq s ILE 135 Cb -0.11 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.89 3maq s ILE 135 CO 0.04 0.17 -0.03 0.68 -1.23 0.00 0.00 174.94 174.58 3maq s VAL 136 N 1.67 3.11 -1.37 2.92 -7.23 0.39 -0.72 120.40 119.18 3maq s VAL 136 Ca 0.24 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.32 3maq s VAL 136 Cb -0.15 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.05 3maq s VAL 136 CO 0.10 -0.34 1.17 0.59 -0.31 0.00 0.00 175.10 176.31 3maq n ASN 137 N -0.87 -6.19 -4.80 4.85 3.02 -1.06 -1.38 115.26 108.83 3maq n ASN 137 Ca -0.06 -0.56 -0.33 0.00 -0.03 0.00 0.00 54.58 53.60 3maq n ASN 137 Cb 0.60 -4.95 0.00 0.00 -0.61 0.00 0.00 39.78 34.82 3maq n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3maq s ALA 138 N -3.32 2.75 -0.04 5.41 0.00 -0.80 -4.58 121.76 121.19 3maq s ALA 138 Ca 0.58 0.44 0.02 0.00 0.00 0.00 0.00 51.96 53.00 3maq s ALA 138 Cb -0.26 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.63 3maq s ALA 138 CO 0.74 -0.74 -0.08 1.03 0.00 0.00 0.00 175.76 176.71 3maq s ARG 139 N -3.92 1.01 0.02 0.00 0.52 -0.08 -4.62 118.95 111.87 3maq s ARG 139 Ca 0.64 -0.25 0.09 0.00 -0.52 0.00 0.00 55.73 55.69 3maq s ARG 139 Cb -0.16 -0.94 -0.02 0.00 0.52 0.00 0.00 34.95 34.35 3maq s ARG 139 CO 0.34 0.03 -0.26 -0.51 0.02 0.00 0.00 175.30 174.93 3maq s LEU 140 N 0.49 2.11 0.04 2.53 1.43 -1.26 -1.78 118.68 122.24 3maq s LEU 140 Ca -0.08 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.49 3maq s LEU 140 Cb -0.12 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 3maq s LEU 140 CO 0.01 0.28 -0.03 -1.59 0.23 0.00 0.00 176.35 175.24 3maq s LYS 141 N -0.95 0.45 0.37 1.70 -2.85 -0.47 -4.94 119.74 113.06 3maq s LYS 141 Ca 0.11 -0.87 -0.28 0.00 -1.00 0.00 0.00 55.97 53.93 3maq s LYS 141 Cb -0.10 0.11 -0.11 0.00 -2.06 0.00 0.00 37.83 35.66 3maq s LYS 141 CO 0.01 -0.06 1.46 -2.30 0.10 0.00 0.00 175.35 174.56 3maq n PRO 142 N 0.99 2.60 -4.42 1.78 -0.02 -1.26 0.74 135.00 135.41 3maq n PRO 142 Ca -0.20 0.91 -0.34 0.00 -2.02 0.00 0.00 63.50 61.86 3maq n PRO 142 Cb 0.57 -2.62 -0.12 0.00 -0.02 0.00 0.00 33.50 31.31 3maq n PRO 142 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3maq s HIS 143 N -1.10 3.03 0.23 6.00 2.46 -0.54 -4.59 115.29 120.78 3maq s HIS 143 Ca 0.54 -0.25 -0.08 0.00 0.47 0.00 0.00 55.06 55.74 3maq s HIS 143 Cb -0.49 -1.93 0.23 0.00 -0.13 0.00 0.00 32.58 30.25 3maq s HIS 143 CO 0.64 0.01 1.90 -1.00 -2.47 0.00 0.00 174.74 173.82 3maq h PRO 144 N 6.53 1.15 0.00 2.88 0.13 -1.95 -3.40 132.00 137.34 3maq h PRO 144 Ca -0.33 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3maq h PRO 144 Cb 1.19 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3maq h PRO 144 CO 0.62 0.76 0.00 -0.40 -0.23 0.00 0.00 178.00 178.75 3maq n ASP 145 N -4.48 0.09 -4.69 1.44 5.68 -1.26 -5.11 116.55 108.22 3maq n ASP 145 Ca 0.10 -0.87 -0.45 0.00 -0.50 0.00 0.00 54.79 53.07 3maq n ASP 145 Cb 0.03 0.01 -0.04 0.00 -1.14 0.00 0.00 41.12 39.99 3maq n ASP 145 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3maq n TYR 146 N -0.01 2.43 -4.43 2.11 9.36 -1.26 -5.02 117.16 120.34 3maq n TYR 146 Ca 0.00 0.21 -0.21 0.00 3.32 0.00 0.00 57.90 61.22 3maq n TYR 146 Cb 0.19 -2.58 -0.16 0.00 -0.63 0.00 0.00 39.34 36.17 3maq n TYR 146 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3maq s ARG 147 N 0.82 1.09 0.43 2.98 1.81 -1.26 -4.75 118.95 120.07 3maq s ARG 147 Ca 0.76 -0.33 -0.01 0.00 -1.72 0.00 0.00 55.73 54.44 3maq s ARG 147 Cb -0.62 -1.00 -0.02 0.00 -0.45 0.00 0.00 34.95 32.87 3maq s ARG 147 CO 0.38 0.10 0.66 -1.25 -0.68 0.00 0.00 175.30 174.51 3maq s PRO 148 N 0.28 3.27 -0.13 3.54 0.04 -1.26 -5.00 135.00 135.73 3maq s PRO 148 Ca -0.05 -0.30 -0.18 0.00 0.04 0.00 0.00 61.00 60.51 3maq s PRO 148 Cb -0.10 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 3maq s PRO 148 CO 0.01 -0.15 0.47 -1.25 0.04 0.00 0.00 177.00 176.12 3maq s PRO 149 N -4.53 4.31 0.01 0.56 0.04 -1.26 -5.06 135.00 129.07 3maq s PRO 149 Ca 0.46 0.41 0.08 0.00 0.04 0.00 0.00 61.00 61.99 3maq s PRO 149 Cb -0.10 -3.45 -0.03 0.00 0.04 0.00 0.00 34.50 30.96 3maq s PRO 149 CO 0.39 0.13 -0.24 -0.51 0.04 0.00 0.00 177.00 176.80 3maq s LEU 150 N 0.74 2.22 -0.15 -3.56 1.43 -1.26 -4.83 118.68 113.27 3maq s LEU 150 Ca 0.25 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 52.81 3maq s LEU 150 Cb -0.15 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 3maq s LEU 150 CO 0.10 0.29 0.06 -0.54 0.23 0.00 0.00 176.35 176.48 3maq s LYS 151 N -0.95 3.63 0.27 1.70 1.02 -1.26 -4.99 119.74 119.16 3maq s LYS 151 Ca 0.11 -0.33 0.10 0.00 0.02 0.00 0.00 55.97 55.87 3maq s LYS 151 Cb -0.10 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.07 3maq s LYS 151 CO 0.01 0.46 -0.01 -1.58 -0.92 0.00 0.00 175.35 173.32 3maq s TRP 152 N -0.18 2.69 -0.08 3.18 0.51 -1.26 -0.98 118.94 122.82 3maq s TRP 152 Ca 0.07 -0.23 -0.01 0.00 -2.12 0.00 0.00 56.10 53.81 3maq s TRP 152 Cb -0.12 -1.19 0.03 0.00 -0.81 0.00 0.00 33.47 31.37 3maq s TRP 152 CO 0.01 0.62 -0.00 0.54 -0.51 0.00 0.00 176.95 177.61 3maq s VAL 153 N -2.33 0.43 -0.28 4.03 0.11 -0.17 -2.86 120.40 119.34 3maq s VAL 153 Ca 0.31 0.08 -0.17 0.00 -2.93 0.00 0.00 61.98 59.27 3maq s VAL 153 Cb -0.06 -0.59 -0.02 0.00 -1.53 0.00 0.00 36.38 34.18 3maq s VAL 153 CO 0.20 0.26 0.49 -0.55 -3.33 0.00 0.00 175.10 172.17 3maq s SER 154 N 1.95 6.38 -0.09 3.54 0.15 0.12 -0.96 113.70 124.78 3maq s SER 154 Ca 0.05 0.36 0.01 0.00 0.70 0.00 0.00 55.95 57.07 3maq s SER 154 Cb -0.12 -2.27 -0.02 0.00 -1.71 0.00 0.00 66.02 61.90 3maq s SER 154 CO -0.06 -0.31 -0.11 -0.51 1.20 0.00 0.00 173.24 173.45 3maq s ILE 155 N 2.29 3.28 -0.02 6.45 2.07 -0.52 -1.06 121.20 133.69 3maq s ILE 155 Ca 0.20 -0.61 -0.01 0.00 -1.41 0.00 0.00 60.65 58.81 3maq s ILE 155 Cb -0.16 -2.35 0.01 0.00 0.13 0.00 0.00 42.46 40.09 3maq s ILE 155 CO 0.10 0.56 0.04 -0.62 -1.91 0.00 0.00 174.94 173.11 3maq s ASP 156 N -0.25 -0.03 0.12 4.50 2.15 -0.53 -4.65 116.67 117.98 3maq s ASP 156 Ca 0.02 0.08 0.10 0.00 0.43 0.00 0.00 52.55 53.18 3maq s ASP 156 Cb -0.13 0.06 -0.04 0.00 -0.30 0.00 0.00 42.92 42.51 3maq s ASP 156 CO 0.03 -0.03 -0.26 0.27 -0.17 0.00 0.00 175.17 175.01 3maq s ILE 157 N 0.20 2.13 -0.08 4.11 -4.36 -1.26 0.59 121.20 122.53 3maq s ILE 157 Ca -0.01 -1.70 0.04 0.00 -0.26 0.00 0.00 60.65 58.72 3maq s ILE 157 Cb -0.02 -1.89 -0.00 0.00 1.25 0.00 0.00 42.46 41.79 3maq s ILE 157 CO -0.01 0.06 -0.22 -1.61 0.24 0.00 0.00 174.94 173.41 3maq s GLU 158 N -2.00 2.57 0.39 0.37 0.41 -0.83 -5.01 118.70 114.61 3maq s GLU 158 Ca 0.12 -0.79 0.05 0.00 -0.41 0.00 0.00 54.97 53.94 3maq s GLU 158 Cb -0.10 -2.04 -0.02 0.00 -1.78 0.00 0.00 34.13 30.18 3maq s GLU 158 CO 0.05 0.22 0.17 0.95 -0.49 0.00 0.00 175.26 176.16 3maq s THR 159 N 0.22 0.44 0.94 3.63 -4.23 -1.26 -0.14 115.64 115.24 3maq s THR 159 Ca -0.12 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.25 3maq s THR 159 Cb -0.16 -2.37 0.16 0.00 1.34 0.00 0.00 72.50 71.47 3maq s THR 159 CO 0.06 0.00 1.15 0.42 -0.54 0.00 0.00 174.62 175.71 3maq s THR 160 N -3.27 1.96 -0.32 3.99 -4.23 0.44 -4.87 115.64 109.35 3maq s THR 160 Ca 0.27 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.02 3maq s THR 160 Cb 0.02 -2.76 0.24 0.00 1.34 0.00 0.00 72.50 71.35 3maq s THR 160 CO 0.17 0.00 1.72 0.08 -0.54 0.00 0.00 174.62 176.05 3maq h ARG 161 N -1.60 0.00 -0.40 3.99 0.11 -1.93 -1.24 114.38 113.30 3maq h ARG 161 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 3maq h ARG 161 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 3maq h ARG 161 CO 0.57 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.36 3maq n HIS 162 N -2.30 0.52 -0.41 4.08 8.25 -1.26 -4.96 115.22 119.14 3maq n HIS 162 Ca 0.00 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 3maq n HIS 162 Cb 0.15 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.26 3maq n HIS 162 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3maq n GLY 163 N 1.52 0.72 3.77 -1.41 0.00 -0.47 -5.06 105.19 104.27 3maq n GLY 163 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3maq n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3maq s GLU 164 N -0.59 4.68 0.34 1.61 2.02 -1.26 -4.72 118.70 120.79 3maq s GLU 164 Ca 0.00 1.37 -0.29 0.00 0.02 0.00 0.00 54.97 56.07 3maq s GLU 164 Cb 0.00 -3.02 -0.10 0.00 0.10 0.00 0.00 34.13 31.10 3maq s GLU 164 CO 0.00 0.40 1.35 -0.51 0.02 0.00 0.00 175.26 176.52 3maq s LEU 165 N -1.64 4.40 -0.14 1.80 1.43 -1.26 -0.42 118.68 122.84 3maq s LEU 165 Ca 0.45 2.77 -0.05 0.00 -1.03 0.00 0.00 54.13 56.27 3maq s LEU 165 Cb -0.22 -3.65 -0.07 0.00 0.03 0.00 0.00 46.19 42.28 3maq s LEU 165 CO 0.27 -0.61 -0.17 -1.22 0.23 0.00 0.00 176.35 174.85 3maq n TYR 166 N 0.73 0.00 -3.80 0.29 4.01 0.80 -4.83 117.16 114.36 3maq n TYR 166 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 3maq n TYR 166 Cb 0.41 -0.52 -0.02 0.00 -0.31 0.00 0.00 39.34 38.90 3maq n TYR 166 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3maq s ILE 168 N -3.90 0.99 -0.12 0.00 1.01 0.55 -1.97 121.20 117.77 3maq s ILE 168 Ca 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 3maq s ILE 168 Cb -0.05 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 3maq s ILE 168 CO 0.04 0.34 -0.07 -0.83 0.00 0.00 0.00 174.94 174.42 3maq s GLY 169 N 1.09 1.67 -0.06 6.18 0.00 0.20 -0.75 107.32 115.65 3maq s GLY 169 Ca -0.07 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 43.83 3maq s GLY 169 CO -0.01 -0.30 -0.17 1.08 0.00 0.00 0.00 173.10 173.71 3maq s LEU 170 N -0.03 1.86 -0.09 0.66 1.43 -0.30 -1.45 118.68 120.76 3maq s LEU 170 Ca -0.00 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 3maq s LEU 170 Cb -0.13 -0.98 0.03 0.00 0.03 0.00 0.00 46.19 45.13 3maq s LEU 170 CO 0.03 0.12 -0.01 -0.70 0.23 0.00 0.00 176.35 176.03 3maq s GLU 171 N 0.25 0.74 0.00 1.70 2.12 -0.23 -1.65 118.70 121.64 3maq s GLU 171 Ca -0.09 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.24 3maq s GLU 171 Cb -0.14 -1.19 0.00 0.00 0.26 0.00 0.00 34.13 33.06 3maq s GLU 171 CO 0.03 -0.34 0.00 0.41 -0.54 0.00 0.00 175.26 174.83 3maq n GLY 172 N 5.11 3.00 2.44 -1.50 0.00 -0.17 0.16 105.19 114.23 3maq n GLY 172 Ca -0.08 -1.58 -0.20 0.00 0.00 0.00 0.00 46.02 44.16 3maq n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3maq n GLY 174 N -1.08 0.51 3.26 0.00 0.00 -1.26 -5.03 105.19 101.58 3maq n GLY 174 Ca -0.21 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 3maq n GLY 174 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3maq s GLN 175 N -1.33 1.63 -0.25 1.61 -1.52 -0.39 -5.09 119.66 114.32 3maq s GLN 175 Ca 0.00 -0.89 -0.00 0.00 -1.95 0.00 0.00 55.36 52.51 3maq s GLN 175 Cb 0.00 -1.67 0.07 0.00 -0.22 0.00 0.00 33.01 31.19 3maq s GLN 175 CO 0.00 0.44 0.02 1.03 -0.25 0.00 0.00 175.29 176.54 3maq s ARG 176 N -0.87 1.08 0.03 2.91 0.52 -1.26 -1.00 118.95 120.35 3maq s ARG 176 Ca 0.09 -0.93 -0.00 0.00 -0.52 0.00 0.00 55.73 54.37 3maq s ARG 176 Cb -0.09 -2.33 -0.02 0.00 0.52 0.00 0.00 34.95 33.03 3maq s ARG 176 CO 0.01 -0.75 -0.03 -1.50 0.02 0.00 0.00 175.30 173.05 3maq s ILE 177 N 1.55 0.13 -0.07 1.52 2.07 -0.66 -1.70 121.20 124.04 3maq s ILE 177 Ca 0.01 -1.08 0.00 0.00 -1.41 0.00 0.00 60.65 58.18 3maq s ILE 177 Cb -0.18 -0.50 0.02 0.00 0.13 0.00 0.00 42.46 41.93 3maq s ILE 177 CO -0.12 -0.59 -0.05 -0.69 -1.91 0.00 0.00 174.94 171.57 3maq s VAL 178 N -1.93 0.72 -0.32 4.00 1.01 -0.28 -1.15 120.40 122.45 3maq s VAL 178 Ca -0.12 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 3maq s VAL 178 Cb -0.07 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 3maq s VAL 178 CO -0.03 0.29 0.21 -0.31 0.00 0.00 0.00 175.10 175.27 3maq s TYR 179 N 1.37 3.22 -0.09 5.22 2.02 0.07 -1.57 117.35 127.58 3maq s TYR 179 Ca -0.03 -0.16 0.04 0.00 -0.37 0.00 0.00 57.07 56.55 3maq s TYR 179 Cb -0.14 -2.43 -0.01 0.00 -0.40 0.00 0.00 41.96 38.99 3maq s TYR 179 CO -0.03 -0.31 -0.23 1.41 -1.57 0.00 0.00 175.55 174.82 3maq s MET 180 N 1.72 2.96 0.14 -0.62 -2.45 -0.26 -0.33 119.30 120.46 3maq s MET 180 Ca 0.06 -0.86 -0.31 0.00 -1.25 0.00 0.00 55.69 53.33 3maq s MET 180 Cb -0.17 -2.31 -0.09 0.00 1.25 0.00 0.00 34.83 33.50 3maq s MET 180 CO 0.10 0.25 1.58 -1.17 1.05 0.00 0.00 175.02 176.82 3maq s LEU 181 N 0.19 4.37 0.00 4.11 2.96 -0.36 -1.56 118.68 128.39 3maq s LEU 181 Ca -0.13 2.56 -0.11 0.00 -0.22 0.00 0.00 54.13 56.23 3maq s LEU 181 Cb -0.16 -3.59 0.16 0.00 0.50 0.00 0.00 46.19 43.10 3maq s LEU 181 CO 0.07 -0.83 0.96 0.61 -1.32 0.00 0.00 176.35 175.84 3maq n GLY 182 N 3.80 -1.12 3.87 7.98 0.00 0.29 -4.83 105.19 115.17 3maq n GLY 182 Ca 0.14 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 3maq n GLY 182 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3maq s PRO 183 N -5.06 1.05 0.37 1.61 0.05 -1.26 -4.91 135.00 126.85 3maq s PRO 183 Ca 0.55 -0.08 -0.25 0.00 0.05 0.00 0.00 61.00 61.28 3maq s PRO 183 Cb -0.02 -1.86 -0.10 0.00 0.05 0.00 0.00 34.50 32.58 3maq s PRO 183 CO 0.38 -2.19 1.00 -1.83 0.05 0.00 0.00 177.00 174.41 3maq s GLU 184 N -5.64 4.35 0.21 4.56 -1.05 -1.26 -5.03 118.70 114.83 3maq s GLU 184 Ca 0.68 1.39 -0.11 0.00 -0.15 0.00 0.00 54.97 56.78 3maq s GLU 184 Cb -0.09 -2.61 -0.00 0.00 -0.44 0.00 0.00 34.13 30.99 3maq s GLU 184 CO 0.52 0.05 0.39 0.54 0.95 0.00 0.00 175.26 177.71 3maq s ASN 185 N -1.65 -0.05 0.42 0.83 2.20 -1.26 -5.11 114.94 110.32 3maq s ASN 185 Ca 0.55 -0.89 0.00 0.00 -0.94 0.00 0.00 52.86 51.58 3maq s ASN 185 Cb -0.19 0.52 0.00 0.00 -2.00 0.00 0.00 41.25 39.58 3maq s ASN 185 CO 0.24 -1.03 0.00 0.61 -2.94 0.00 0.00 177.10 173.99 3maq n GLY 186 N -0.31 -0.76 3.17 0.45 0.00 -1.26 -4.38 105.19 102.10 3maq n GLY 186 Ca -0.04 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 3maq n GLY 186 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3maq s ASP 187 N -4.00 3.83 -0.00 1.61 2.15 -1.26 -4.96 116.67 114.03 3maq s ASP 187 Ca 0.00 -0.77 0.16 0.00 0.43 0.00 0.00 52.55 52.37 3maq s ASP 187 Cb 0.00 -1.58 0.47 0.00 -0.30 0.00 0.00 42.92 41.50 3maq s ASP 187 CO 0.00 -0.07 1.39 0.00 -0.17 0.00 0.00 175.17 176.33 3maq n ALA 188 N 4.64 2.29 0.21 3.66 0.00 -1.26 -4.58 120.51 125.46 3maq n ALA 188 Ca -0.18 -1.23 0.05 0.00 0.00 0.00 0.00 53.44 52.08 3maq n ALA 188 Cb 0.48 -0.67 0.44 0.00 0.00 0.00 0.00 19.45 19.71 3maq n ALA 188 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3maq h SER 189 N 3.07 0.00 -0.76 0.00 0.02 -2.01 -3.09 113.55 110.78 3maq h SER 189 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 3maq h SER 189 Cb 0.87 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.24 3maq h SER 189 CO 0.01 0.31 0.32 -1.20 -1.14 0.00 0.00 176.83 175.13 3maq n SER 190 N -3.91 4.44 -4.74 3.07 7.64 -1.26 -4.98 113.62 113.88 3maq n SER 190 Ca -0.02 -3.34 -0.38 0.00 1.01 0.00 0.00 58.87 56.15 3maq n SER 190 Cb 0.38 -0.75 -0.06 0.00 -1.01 0.00 0.00 64.21 62.76 3maq n SER 190 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3maq s LEU 191 N -3.07 4.32 -0.24 -3.43 1.43 -1.17 -4.99 118.68 111.52 3maq s LEU 191 Ca 0.55 0.88 0.09 0.00 -1.03 0.00 0.00 54.13 54.62 3maq s LEU 191 Cb 0.44 -2.72 0.63 0.00 0.03 0.00 0.00 46.19 44.58 3maq s LEU 191 CO 0.12 0.05 1.58 -0.90 0.23 0.00 0.00 176.35 177.43 3maq n ASP 192 N 3.32 4.50 -4.08 2.29 5.75 -1.26 -4.91 116.55 122.16 3maq n ASP 192 Ca -0.08 -2.91 -0.10 0.00 -0.01 0.00 0.00 54.79 51.69 3maq n ASP 192 Cb 0.52 -0.69 -0.08 0.00 -1.03 0.00 0.00 41.12 39.84 3maq n ASP 192 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3maq s PHE 193 N -2.50 0.73 0.02 2.11 -0.12 -1.26 -5.04 117.98 111.93 3maq s PHE 193 Ca 0.45 -1.04 -0.29 0.00 -0.05 0.00 0.00 56.93 56.00 3maq s PHE 193 Cb 0.35 -0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.47 3maq s PHE 193 CO 0.12 -0.74 0.92 -2.00 -0.05 0.00 0.00 175.22 173.46 3maq s GLU 194 N -4.06 4.57 -0.14 1.99 2.12 -0.69 -5.00 118.70 117.49 3maq s GLU 194 Ca 0.28 1.33 0.00 0.00 0.36 0.00 0.00 54.97 56.94 3maq s GLU 194 Cb 0.04 -3.43 0.02 0.00 0.26 0.00 0.00 34.13 31.03 3maq s GLU 194 CO 0.07 0.06 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.56 3maq s LEU 195 N 0.62 1.61 -0.09 2.70 2.96 -1.26 -1.13 118.68 124.09 3maq s LEU 195 Ca 0.48 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 3maq s LEU 195 Cb -0.21 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.36 3maq s LEU 195 CO 0.27 -0.06 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.33 3maq s GLU 196 N 1.51 2.59 0.16 1.98 2.12 -0.61 -4.99 118.70 121.45 3maq s GLU 196 Ca 0.05 -0.72 -0.02 0.00 0.36 0.00 0.00 54.97 54.64 3maq s GLU 196 Cb -0.13 -2.00 -0.05 0.00 0.26 0.00 0.00 34.13 32.22 3maq s GLU 196 CO -0.10 0.12 0.35 0.71 -0.54 0.00 0.00 175.26 175.80 3maq s TYR 197 N 0.46 3.49 0.01 5.30 2.02 -1.26 -1.10 117.35 126.27 3maq s TYR 197 Ca -0.17 0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.91 3maq s TYR 197 Cb -0.17 -1.87 -0.01 0.00 -0.40 0.00 0.00 41.96 39.51 3maq s TYR 197 CO 0.07 0.44 -0.04 0.14 -1.57 0.00 0.00 175.55 174.59 3maq s VAL 198 N -1.74 0.29 0.24 0.71 -7.23 -0.60 -4.91 120.40 107.16 3maq s VAL 198 Ca 0.38 -0.44 0.07 0.00 -1.81 0.00 0.00 61.98 60.18 3maq s VAL 198 Cb -0.12 -0.31 -0.05 0.00 0.56 0.00 0.00 36.38 36.46 3maq s VAL 198 CO 0.28 -0.10 1.55 0.00 -0.31 0.00 0.00 175.10 176.51 3maq h ALA 199 N 5.54 0.85 -2.68 1.32 0.00 -1.90 0.83 119.26 123.22 3maq h ALA 199 Ca -0.29 -0.58 -0.37 0.00 0.00 0.00 0.00 54.91 53.67 3maq h ALA 199 Cb 1.20 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.73 3maq h ALA 199 CO 0.47 0.79 -0.74 -1.54 0.00 0.00 0.00 179.25 178.23 3maq s SER 200 N -6.87 1.80 0.30 0.00 1.04 -1.26 -4.61 113.70 104.09 3maq s SER 200 Ca -0.03 -0.86 -0.01 0.00 0.48 0.00 0.00 55.95 55.53 3maq s SER 200 Cb 0.12 -0.03 0.45 0.00 0.10 0.00 0.00 66.02 66.66 3maq s SER 200 CO 0.79 -0.22 1.92 0.03 0.98 0.00 0.00 173.24 176.73 3maq h ARG 201 N 3.35 0.95 0.00 4.02 3.08 -1.95 -1.70 114.38 122.13 3maq h ARG 201 Ca -0.38 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.56 3maq h ARG 201 Cb 1.19 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 3maq h ARG 201 CO 0.54 0.71 -0.01 -1.35 -1.07 0.00 0.00 179.97 178.79 3maq h PRO 202 N 0.96 0.00 0.00 0.04 0.11 -1.97 -0.84 132.00 130.29 3maq h PRO 202 Ca 0.24 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.31 3maq h PRO 202 Cb 0.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 3maq h PRO 202 CO -0.04 0.01 -0.21 1.96 -0.21 0.00 0.00 178.00 179.52 3maq h GLN 203 N 0.00 0.00 -0.58 1.05 4.20 -1.72 -2.16 115.11 115.90 3maq h GLN 203 Ca -0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 3maq h GLN 203 Cb 0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3maq h GLN 203 CO 0.00 0.21 0.01 -0.07 -0.67 0.00 0.00 178.83 178.31 3maq h LEU 204 N 0.00 0.96 -0.90 1.46 3.38 -1.18 -0.20 115.31 118.83 3maq h LEU 204 Ca -0.00 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 3maq h LEU 204 Cb 0.66 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3maq h LEU 204 CO 0.03 1.01 -0.47 -0.07 0.09 0.00 0.00 178.44 179.03 3maq h LEU 205 N 0.91 0.21 -0.30 1.67 4.07 -1.43 -0.72 115.31 119.72 3maq h LEU 205 Ca 0.17 -0.09 -0.20 0.00 0.08 0.00 0.00 57.88 57.84 3maq h LEU 205 Cb 0.51 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.20 3maq h LEU 205 CO 0.03 0.64 -0.67 -0.33 -1.08 0.00 0.00 178.44 177.03 3maq h GLU 206 N 0.16 0.72 -0.58 1.13 5.08 -0.84 -1.46 114.58 118.79 3maq h GLU 206 Ca 0.01 -0.53 -0.06 0.00 -1.00 0.00 0.00 59.36 57.78 3maq h GLU 206 Cb 0.89 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 3maq h GLU 206 CO 0.07 1.15 0.12 0.87 -1.00 0.00 0.00 179.01 180.22 3maq h LYS 207 N 0.52 0.94 -0.85 2.33 1.79 -0.88 -1.42 116.57 119.01 3maq h LYS 207 Ca -0.02 -0.24 -0.03 0.00 -2.18 0.00 0.00 60.65 58.18 3maq h LYS 207 Cb 1.27 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.76 3maq h LYS 207 CO 0.14 0.88 0.40 1.25 -1.08 0.00 0.00 179.45 181.04 3maq h LEU 208 N 0.85 1.11 -0.35 2.94 5.85 -1.03 -1.03 115.31 123.64 3maq h LEU 208 Ca 0.18 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3maq h LEU 208 Cb 0.38 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3maq h LEU 208 CO 0.01 0.94 0.04 0.78 -0.34 0.00 0.00 178.44 179.87 3maq h ASN 209 N 1.21 0.58 -0.71 1.25 2.35 -0.94 -2.66 115.58 116.66 3maq h ASN 209 Ca 0.29 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 3maq h ASN 209 Cb 0.13 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 3maq h ASN 209 CO -0.04 0.71 0.37 0.00 -1.65 0.00 0.00 177.43 176.83 3maq h ALA 210 N 0.89 1.28 -0.58 -0.83 0.00 -0.86 -1.33 119.26 117.83 3maq h ALA 210 Ca 0.10 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3maq h ALA 210 Cb 0.39 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3maq h ALA 210 CO 0.01 0.57 -0.04 2.35 0.00 0.00 0.00 179.25 182.14 3maq h TRP 211 N 1.03 1.17 -0.50 0.00 7.01 -1.14 -1.32 115.95 122.19 3maq h TRP 211 Ca 0.26 -0.22 -0.09 0.00 2.11 0.00 0.00 58.89 60.94 3maq h TRP 211 Cb 0.07 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 26.82 3maq h TRP 211 CO 0.01 1.05 -0.05 0.74 -2.79 0.00 0.00 178.44 177.40 3maq h PHE 212 N 0.95 1.02 -0.65 2.65 0.04 -1.09 0.16 116.94 120.02 3maq h PHE 212 Ca 0.16 -0.20 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 3maq h PHE 212 Cb 0.61 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 3maq h PHE 212 CO 0.04 0.96 0.29 0.00 -0.60 0.00 0.00 178.31 179.01 3maq h ALA 213 N 0.92 0.85 0.60 2.45 0.00 -1.07 -2.18 119.26 120.83 3maq h ALA 213 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3maq h ALA 213 Cb 0.59 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.13 3maq h ALA 213 CO 0.04 0.44 -0.29 -0.91 0.00 0.00 0.00 179.25 178.53 3maq h ASN 214 N 0.91 -0.68 1.46 0.00 2.35 -0.97 -3.37 115.58 115.28 3maq h ASN 214 Ca 0.22 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3maq h ASN 214 Cb 0.16 0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3maq h ASN 214 CO -0.02 -0.29 -0.35 1.88 -1.65 0.00 0.00 177.43 176.99 3maq h TYR 215 N -1.16 0.00 -6.46 1.19 0.05 -0.77 -3.49 116.97 106.33 3maq h TYR 215 Ca -0.08 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.25 3maq h TYR 215 Cb 0.65 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.42 3maq h TYR 215 CO 0.00 0.00 -0.90 -3.47 -1.05 0.00 0.00 178.16 172.75 3maq n ASP 216 N -2.66 -5.18 -4.78 3.88 2.03 -0.82 -4.96 116.55 104.07 3maq n ASP 216 Ca 0.03 -0.97 -0.36 0.00 0.52 0.00 0.00 54.79 54.01 3maq n ASP 216 Cb 0.50 -2.67 -0.04 0.00 -0.72 0.00 0.00 41.12 38.19 3maq n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3maq s PRO 217 N -5.72 4.14 0.06 -0.67 0.04 -1.26 -4.96 135.00 126.63 3maq s PRO 217 Ca 0.29 1.51 -0.02 0.00 0.04 0.00 0.00 61.00 62.82 3maq s PRO 217 Cb -0.13 -2.52 -0.27 0.00 0.04 0.00 0.00 34.50 31.62 3maq s PRO 217 CO 0.89 -0.17 1.07 -0.44 0.04 0.00 0.00 177.00 178.39 3maq h ASP 218 N 2.44 0.36 -3.86 6.66 3.32 -1.39 -3.46 116.42 120.50 3maq h ASP 218 Ca -0.48 -0.41 -0.49 0.00 0.02 0.00 0.00 57.03 55.66 3maq h ASP 218 Cb 1.22 -0.12 -0.31 0.00 0.22 0.00 0.00 39.33 40.34 3maq h ASP 218 CO 0.62 1.33 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.97 3maq s VAL 219 N -2.65 1.07 -0.22 -1.35 1.01 -0.42 -0.80 120.40 117.05 3maq s VAL 219 Ca -0.05 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 3maq s VAL 219 Cb 0.07 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 3maq s VAL 219 CO 0.87 0.32 0.04 -0.63 0.00 0.00 0.00 175.10 175.70 3maq s ILE 220 N 0.12 4.24 0.20 2.22 1.01 0.68 -1.00 121.20 128.68 3maq s ILE 220 Ca -0.03 -0.21 0.09 0.00 0.00 0.00 0.00 60.65 60.50 3maq s ILE 220 Cb -0.10 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 3maq s ILE 220 CO 0.01 0.40 -0.17 0.27 0.00 0.00 0.00 174.94 175.45 3maq s ILE 221 N 1.12 1.94 -0.01 2.92 -4.36 -0.14 -0.69 121.20 121.98 3maq s ILE 221 Ca 0.03 -2.13 -0.05 0.00 -0.26 0.00 0.00 60.65 58.24 3maq s ILE 221 Cb -0.14 -2.02 0.02 0.00 1.25 0.00 0.00 42.46 41.56 3maq s ILE 221 CO 0.02 -0.43 0.23 0.61 0.24 0.00 0.00 174.94 175.61 3maq n GLY 222 N -0.15 0.43 3.14 6.27 0.00 -1.15 -1.44 105.19 112.30 3maq n GLY 222 Ca -0.10 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 3maq n GLY 222 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3maq s TRP 223 N -2.38 3.20 -1.38 1.61 -0.11 -1.26 -0.59 118.94 118.03 3maq s TRP 223 Ca 0.05 -1.94 -0.07 0.00 1.22 0.00 0.00 56.10 55.36 3maq s TRP 223 Cb -0.00 -2.03 0.03 0.00 -1.50 0.00 0.00 33.47 29.97 3maq s TRP 223 CO -0.00 -0.81 0.98 -1.71 -4.62 0.00 0.00 176.95 170.79 3maq n ASN 224 N 4.57 -4.01 0.05 5.86 5.15 -1.26 -4.84 115.26 120.78 3maq n ASN 224 Ca -0.15 -0.69 -0.01 0.00 -0.60 0.00 0.00 54.58 53.13 3maq n ASN 224 Cb 0.44 -4.47 0.27 0.00 -0.53 0.00 0.00 39.78 35.49 3maq n ASN 224 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 3maq h VAL 225 N -2.19 1.24 0.07 3.44 3.04 -1.91 -1.22 116.25 118.72 3maq h VAL 225 Ca -0.59 -1.11 -0.00 0.00 -1.01 0.00 0.00 66.70 63.99 3maq h VAL 225 Cb 1.36 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.96 3maq h VAL 225 CO 0.59 0.35 -0.04 0.58 -1.01 0.00 0.00 177.57 178.04 3maq h VAL 226 N 0.34 0.27 0.00 1.51 2.07 -1.95 0.17 116.25 118.66 3maq h VAL 226 Ca 0.06 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 3maq h VAL 226 Cb 0.56 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3maq h VAL 226 CO 0.04 0.09 -0.20 1.56 0.02 0.00 0.00 177.57 179.08 3maq h GLN 227 N -1.01 0.00 0.00 1.57 1.08 -1.92 -2.08 115.11 112.74 3maq h GLN 227 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3maq h GLN 227 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3maq h GLN 227 CO 0.02 0.20 0.00 0.34 -0.95 0.00 0.00 178.83 178.43 3maq n PHE 228 N -3.51 0.00 0.11 2.96 7.35 -0.46 -4.58 117.46 119.32 3maq n PHE 228 Ca -0.01 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.56 3maq n PHE 228 Cb 0.36 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.13 3maq n PHE 228 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3maq h ASP 229 N 0.00 -0.46 0.18 -2.13 3.32 -1.57 -1.78 116.42 113.98 3maq h ASP 229 Ca 0.00 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 3maq h ASP 229 Cb 0.00 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3maq h ASP 229 CO 0.00 -0.25 -0.43 -0.07 -1.72 0.00 0.00 179.24 176.78 3maq h LEU 230 N -0.34 0.34 -0.52 1.55 3.38 -0.73 -1.81 115.31 117.18 3maq h LEU 230 Ca 0.02 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 3maq h LEU 230 Cb 0.35 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3maq h LEU 230 CO -0.08 0.73 -0.07 -0.09 0.09 0.00 0.00 178.44 179.01 3maq h ARG 231 N 0.26 0.96 -0.35 1.13 2.43 -1.27 -1.78 114.38 115.77 3maq h ARG 231 Ca 0.02 -0.34 -0.07 0.00 -0.81 0.00 0.00 59.98 58.77 3maq h ARG 231 Cb 0.86 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 3maq h ARG 231 CO 0.07 1.01 -0.07 1.98 -1.51 0.00 0.00 179.97 181.45 3maq h MET 232 N 0.83 0.66 -0.44 0.20 4.05 -1.25 -1.07 114.93 117.92 3maq h MET 232 Ca 0.14 -0.25 -0.05 0.00 -0.28 0.00 0.00 59.70 59.26 3maq h MET 232 Cb 0.63 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 3maq h MET 232 CO 0.04 0.82 0.08 -0.07 0.23 0.00 0.00 176.91 178.00 3maq h LEU 233 N 0.45 0.62 -0.53 3.39 3.38 -1.22 -0.81 115.31 120.59 3maq h LEU 233 Ca 0.09 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3maq h LEU 233 Cb 0.57 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3maq h LEU 233 CO 0.03 0.64 -0.11 -0.61 0.09 0.00 0.00 178.44 178.48 3maq h GLN 234 N 0.64 1.00 -0.61 1.13 5.75 -1.11 0.33 115.11 122.25 3maq h GLN 234 Ca 0.14 -0.38 -0.07 0.00 -0.15 0.00 0.00 58.65 58.19 3maq h GLN 234 Cb 0.29 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 3maq h GLN 234 CO 0.00 1.06 0.09 0.87 -2.65 0.00 0.00 178.83 178.20 3maq h LYS 235 N 0.87 1.01 -0.68 1.69 1.57 -0.69 -0.62 116.57 119.72 3maq h LYS 235 Ca 0.14 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 3maq h LYS 235 Cb 0.68 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3maq h LYS 235 CO 0.05 0.95 0.24 0.45 -0.57 0.00 0.00 179.45 180.57 3maq h HIS 236 N 0.91 1.07 -0.78 -1.35 3.86 -0.77 -1.21 115.15 116.88 3maq h HIS 236 Ca 0.18 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 3maq h HIS 236 Cb 0.43 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 28.56 3maq h HIS 236 CO 0.03 0.84 0.37 0.00 0.86 0.00 0.00 177.93 180.03 3maq h ALA 237 N 1.11 1.00 -0.32 2.45 0.00 0.14 -1.03 119.26 122.61 3maq h ALA 237 Ca 0.22 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3maq h ALA 237 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3maq h ALA 237 CO -0.01 0.57 -0.39 0.93 0.00 0.00 0.00 179.25 180.35 3maq h GLU 238 N 1.10 0.77 -0.27 0.00 5.08 -0.94 0.26 114.58 120.58 3maq h GLU 238 Ca 0.27 -0.40 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 3maq h GLU 238 Cb 0.13 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3maq h GLU 238 CO -0.03 1.02 -0.35 0.00 -1.00 0.00 0.00 179.01 178.65 3maq h ARG 239 N 0.63 0.61 -0.01 2.33 3.08 -0.98 -2.83 114.38 117.21 3maq h ARG 239 Ca 0.05 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3maq h ARG 239 Cb 0.94 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.99 3maq h ARG 239 CO 0.09 0.87 -0.26 0.66 -1.07 0.00 0.00 179.97 180.26 3maq n TYR 240 N -4.06 0.00 -3.57 3.04 4.01 -0.41 -4.93 117.16 111.24 3maq n TYR 240 Ca -0.01 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.50 3maq n TYR 240 Cb 0.49 -0.14 0.08 0.00 -0.31 0.00 0.00 39.34 39.45 3maq n TYR 240 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3maq n ARG 241 N -0.76 -7.77 -5.07 -0.72 1.74 0.05 -4.99 116.66 99.14 3maq n ARG 241 Ca 0.12 0.83 -0.32 0.00 -0.77 0.00 0.00 57.85 57.70 3maq n ARG 241 Cb 0.34 -5.87 -0.16 0.00 -1.02 0.00 0.00 32.46 25.75 3maq n ARG 241 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3maq s LEU 242 N -7.15 2.33 0.14 0.55 0.20 0.70 -5.02 118.68 110.43 3maq s LEU 242 Ca 0.50 -0.45 -0.31 0.00 0.69 0.00 0.00 54.13 54.56 3maq s LEU 242 Cb -0.22 -1.48 -0.08 0.00 -0.43 0.00 0.00 46.19 43.98 3maq s LEU 242 CO 0.73 0.19 1.36 -2.16 -0.29 0.00 0.00 176.35 176.17 3maq s PRO 243 N 0.19 4.34 -0.76 0.98 0.04 -1.26 -4.50 135.00 134.02 3maq s PRO 243 Ca -0.12 2.06 -0.15 0.00 0.04 0.00 0.00 61.00 62.83 3maq s PRO 243 Cb -0.16 -3.23 0.18 0.00 0.04 0.00 0.00 34.50 31.33 3maq s PRO 243 CO 0.07 -0.38 0.75 -1.17 0.04 0.00 0.00 177.00 176.31 3maq s LEU 244 N 0.70 6.37 -1.29 -3.56 2.96 -1.26 -4.98 118.68 117.63 3maq s LEU 244 Ca 0.62 -2.35 -0.10 0.00 -0.22 0.00 0.00 54.13 52.07 3maq s LEU 244 Cb -0.37 -2.24 0.15 0.00 0.50 0.00 0.00 46.19 44.24 3maq s LEU 244 CO 0.33 -0.72 1.87 0.54 -1.32 0.00 0.00 176.35 177.05 3maq n ARG 245 N 4.67 3.51 0.00 1.98 1.74 -1.26 -1.42 116.66 125.87 3maq n ARG 245 Ca 0.08 -3.45 0.13 0.00 -0.77 0.00 0.00 57.85 53.84 3maq n ARG 245 Cb 0.45 -2.99 0.40 0.00 -1.02 0.00 0.00 32.46 29.31 3maq n ARG 245 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3maq n LEU 246 N 4.35 0.97 -4.93 0.55 4.77 -1.13 -4.69 117.00 116.90 3maq n LEU 246 Ca 0.41 -0.24 -0.25 0.00 -0.03 0.00 0.00 56.01 55.90 3maq n LEU 246 Cb 0.37 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 3maq n LEU 246 CO 0.81 0.18 0.25 -0.83 -1.33 0.00 0.00 177.39 176.48 3maq s GLY 247 N -2.50 1.39 0.78 -0.72 0.00 -0.31 -4.79 107.32 101.17 3maq s GLY 247 Ca 0.25 -0.79 -0.11 0.00 0.00 0.00 0.00 44.72 44.07 3maq s GLY 247 CO 0.51 -0.70 1.08 0.50 0.00 0.00 0.00 173.10 174.50 3maq s ARG 248 N -4.45 2.24 -1.38 2.90 0.52 0.13 -2.61 118.95 116.29 3maq s ARG 248 Ca 0.42 0.98 -0.09 0.00 -0.52 0.00 0.00 55.73 56.52 3maq s ARG 248 Cb -0.10 -1.91 0.03 0.00 0.52 0.00 0.00 34.95 33.49 3maq s ARG 248 CO 0.39 -1.60 1.12 -3.47 0.02 0.00 0.00 175.30 171.75 3maq n ASP 249 N -3.47 -5.56 -4.02 0.23 2.03 -1.26 -3.17 116.55 101.33 3maq n ASP 249 Ca 0.08 -0.61 -0.34 0.00 0.52 0.00 0.00 54.79 54.45 3maq n ASP 249 Cb 0.54 -4.77 -0.02 0.00 -0.72 0.00 0.00 41.12 36.15 3maq n ASP 249 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3maq n ASN 250 N -2.99 -2.03 -4.62 1.67 3.02 -1.22 -4.96 115.26 104.13 3maq n ASN 250 Ca -0.02 -1.15 -0.25 0.00 -0.03 0.00 0.00 54.58 53.13 3maq n ASN 250 Cb 0.56 -2.41 -0.08 0.00 -0.61 0.00 0.00 39.78 37.25 3maq n ASN 250 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3maq s SER 251 N -3.97 4.48 0.31 6.41 1.04 -1.07 -4.98 113.70 115.91 3maq s SER 251 Ca 0.23 -0.59 -0.28 0.00 0.48 0.00 0.00 55.95 55.79 3maq s SER 251 Cb -0.11 -0.83 -0.09 0.00 0.10 0.00 0.00 66.02 65.09 3maq s SER 251 CO 0.93 0.05 1.03 -1.61 0.98 0.00 0.00 173.24 174.62 3maq s GLU 252 N -3.30 4.56 0.34 4.02 2.02 -1.26 -1.16 118.70 123.92 3maq s GLU 252 Ca 0.29 1.59 -0.29 0.00 0.02 0.00 0.00 54.97 56.58 3maq s GLU 252 Cb -0.08 -2.98 -0.11 0.00 0.10 0.00 0.00 34.13 31.06 3maq s GLU 252 CO 0.18 0.20 1.45 -1.17 0.02 0.00 0.00 175.26 175.94 3maq s LEU 253 N -1.79 4.36 0.23 1.80 2.96 -0.50 -4.68 118.68 121.05 3maq s LEU 253 Ca 0.48 2.91 0.09 0.00 -0.22 0.00 0.00 54.13 57.39 3maq s LEU 253 Cb -0.26 -3.65 -0.04 0.00 0.50 0.00 0.00 46.19 42.73 3maq s LEU 253 CO 0.33 -0.78 -0.05 -1.61 -1.32 0.00 0.00 176.35 172.92 3maq s GLU 254 N -1.62 2.17 -0.05 1.98 2.02 0.26 -4.95 118.70 118.52 3maq s GLU 254 Ca 0.54 -1.38 0.02 0.00 0.02 0.00 0.00 54.97 54.18 3maq s GLU 254 Cb -0.45 -2.14 0.01 0.00 0.10 0.00 0.00 34.13 31.65 3maq s GLU 254 CO 0.56 0.39 -0.11 -1.58 0.02 0.00 0.00 175.26 174.54 3maq s TRP 255 N -2.10 1.28 -0.05 1.61 0.52 -1.26 -0.42 118.94 118.52 3maq s TRP 255 Ca 0.29 -0.41 0.05 0.00 0.02 0.00 0.00 56.10 56.05 3maq s TRP 255 Cb -0.07 -0.93 -0.01 0.00 -1.15 0.00 0.00 33.47 31.31 3maq s TRP 255 CO 0.18 -0.20 -0.21 1.03 0.02 0.00 0.00 176.95 177.76 3maq s ARG 256 N 0.48 2.14 0.31 4.98 1.81 -0.05 -4.92 118.95 123.70 3maq s ARG 256 Ca -0.10 -0.76 -0.28 0.00 -1.72 0.00 0.00 55.73 52.87 3maq s ARG 256 Cb -0.13 -1.85 -0.09 0.00 -0.45 0.00 0.00 34.95 32.43 3maq s ARG 256 CO 0.02 0.32 1.05 -2.00 -0.68 0.00 0.00 175.30 174.02 3maq s GLU 257 N -0.10 4.56 0.62 3.54 2.12 -1.26 -0.74 118.70 127.44 3maq s GLU 257 Ca -0.03 1.64 -0.18 0.00 0.36 0.00 0.00 54.97 56.76 3maq s GLU 257 Cb -0.12 -3.02 -0.02 0.00 0.26 0.00 0.00 34.13 31.23 3maq s GLU 257 CO 0.03 0.18 1.27 -1.58 -0.54 0.00 0.00 175.26 174.62 3maq s HIS 258 N -1.32 2.19 0.22 5.30 5.65 -0.29 -4.92 115.29 122.13 3maq s HIS 258 Ca 0.48 1.49 -0.08 0.00 0.25 0.00 0.00 55.06 57.19 3maq s HIS 258 Cb -0.28 -3.63 0.36 0.00 -1.18 0.00 0.00 32.58 27.85 3maq s HIS 258 CO 0.35 -2.68 1.69 0.78 -0.65 0.00 0.00 174.74 174.22 3maq h GLY 259 N 0.71 0.84 0.00 1.59 0.00 -1.94 -3.36 103.07 100.91 3maq h GLY 259 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3maq h GLY 259 CO 0.54 -0.16 0.00 1.97 0.00 0.00 0.00 176.54 178.89 3maq n PHE 260 N -5.17 0.00 -1.85 5.60 -1.74 -1.26 -4.93 117.46 108.11 3maq n PHE 260 Ca 0.11 -0.02 -0.32 0.00 -0.56 0.00 0.00 57.45 56.66 3maq n PHE 260 Cb 0.38 -0.00 0.04 0.00 1.52 0.00 0.00 39.48 41.42 3maq n PHE 260 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 3maq n LYS 261 N -0.02 3.06 0.00 3.97 4.76 -1.26 -5.06 118.16 123.61 3maq n LYS 261 Ca 0.00 -3.78 0.00 0.00 -2.87 0.00 0.00 58.31 51.66 3maq n LYS 261 Cb 0.29 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.20 3maq n LYS 261 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3maq n ASN 262 N -0.70 0.00 0.00 4.39 0.23 -1.26 -3.67 115.26 114.25 3maq n ASN 262 Ca 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.57 3maq n ASN 262 Cb 0.63 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.33 3maq n ASN 262 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3maq n GLY 263 N 0.00 0.31 3.43 4.83 0.00 -1.26 -5.05 105.19 107.45 3maq n GLY 263 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3maq n GLY 263 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3maq s VAL 264 N -2.09 4.13 -0.05 1.61 1.01 -1.24 -5.07 120.40 118.70 3maq s VAL 264 Ca 0.00 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.80 3maq s VAL 264 Cb 0.00 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 3maq s VAL 264 CO 0.00 0.37 -0.22 -0.36 0.00 0.00 0.00 175.10 174.88 3maq s PHE 265 N 1.47 2.48 -0.12 5.22 0.08 -1.26 -1.14 117.98 124.71 3maq s PHE 265 Ca 0.05 -0.53 -0.05 0.00 0.12 0.00 0.00 56.93 56.53 3maq s PHE 265 Cb -0.15 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 3maq s PHE 265 CO 0.02 -0.09 0.05 -0.06 -0.10 0.00 0.00 175.22 175.05 3maq s PHE 266 N -0.36 3.30 0.03 0.36 0.08 0.08 -4.89 117.98 116.59 3maq s PHE 266 Ca 0.03 0.25 -0.11 0.00 0.12 0.00 0.00 56.93 57.22 3maq s PHE 266 Cb -0.12 -1.90 -0.06 0.00 -0.57 0.00 0.00 43.02 40.38 3maq s PHE 266 CO 0.02 0.47 0.37 0.00 -0.10 0.00 0.00 175.22 175.98 3maq s ALA 267 N -0.64 3.74 -0.04 5.36 0.00 -1.26 -0.87 121.76 128.06 3maq s ALA 267 Ca 0.11 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 51.72 3maq s ALA 267 Cb -0.12 -2.27 0.01 0.00 0.00 0.00 0.00 23.12 20.75 3maq s ALA 267 CO 0.02 0.55 -0.07 -0.65 0.00 0.00 0.00 175.76 175.61 3maq s GLN 268 N -1.57 0.97 -0.14 0.00 -0.21 0.44 -4.94 119.66 114.21 3maq s GLN 268 Ca 0.28 -0.22 0.01 0.00 0.02 0.00 0.00 55.36 55.45 3maq s GLN 268 Cb -0.15 -0.91 0.02 0.00 1.00 0.00 0.00 33.01 32.98 3maq s GLN 268 CO 0.15 0.01 -0.15 0.00 -2.12 0.00 0.00 175.29 173.19 3maq s ALA 269 N 0.56 1.84 0.18 6.09 0.00 -1.26 -0.57 121.76 128.59 3maq s ALA 269 Ca -0.08 -0.88 -0.33 0.00 0.00 0.00 0.00 51.96 50.67 3maq s ALA 269 Cb -0.12 -1.01 -0.14 0.00 0.00 0.00 0.00 23.12 21.85 3maq s ALA 269 CO 0.01 -0.32 1.55 1.17 0.00 0.00 0.00 175.76 178.17 3maq n LYS 270 N 4.65 2.12 -0.98 0.00 4.81 -1.26 -1.72 118.16 125.78 3maq n LYS 270 Ca -0.17 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 3maq n LYS 270 Cb 0.50 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 33.04 3maq n LYS 270 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3maq n GLY 271 N 3.17 0.38 3.05 3.14 0.00 -1.26 0.17 105.19 113.84 3maq n GLY 271 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3maq n GLY 271 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3maq s ARG 272 N -0.60 0.51 0.01 1.61 0.52 -0.70 -4.85 118.95 115.44 3maq s ARG 272 Ca 0.00 -0.73 -0.09 0.00 -0.52 0.00 0.00 55.73 54.39 3maq s ARG 272 Cb 0.00 -0.27 -0.05 0.00 0.52 0.00 0.00 34.95 35.15 3maq s ARG 272 CO 0.00 0.04 0.31 -0.51 0.02 0.00 0.00 175.30 175.17 3maq s LEU 273 N -1.53 4.39 -0.25 2.53 1.43 0.02 -4.49 118.68 120.78 3maq s LEU 273 Ca -0.10 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 53.69 3maq s LEU 273 Cb -0.10 -2.65 0.05 0.00 0.03 0.00 0.00 46.19 43.51 3maq s LEU 273 CO 0.00 0.27 -0.10 -0.63 0.23 0.00 0.00 176.35 176.12 3maq s ILE 274 N -1.25 2.43 -0.22 -0.59 1.01 -1.26 -0.23 121.20 121.09 3maq s ILE 274 Ca 0.26 -1.36 0.01 0.00 0.00 0.00 0.00 60.65 59.57 3maq s ILE 274 Cb -0.14 -2.32 0.04 0.00 0.01 0.00 0.00 42.46 40.05 3maq s ILE 274 CO 0.14 0.09 -0.15 -0.63 0.00 0.00 0.00 174.94 174.40 3maq s ILE 275 N 1.20 2.21 -0.10 2.92 -1.09 0.13 -4.82 121.20 121.65 3maq s ILE 275 Ca -0.04 -1.21 -0.23 0.00 -2.23 0.00 0.00 60.65 56.93 3maq s ILE 275 Cb -0.18 -2.09 -0.03 0.00 -1.58 0.00 0.00 42.46 38.57 3maq s ILE 275 CO -0.06 0.28 0.70 -0.62 -1.23 0.00 0.00 174.94 174.01 3maq s ASP 276 N 1.22 6.92 0.36 3.58 2.15 -1.26 -2.91 116.67 126.73 3maq s ASP 276 Ca -0.01 1.11 0.04 0.00 0.43 0.00 0.00 52.55 54.12 3maq s ASP 276 Cb -0.16 -2.40 0.70 0.00 -0.30 0.00 0.00 42.92 40.75 3maq s ASP 276 CO -0.09 -0.17 2.00 1.23 -0.17 0.00 0.00 175.17 177.96 3maq h GLY 277 N 7.21 0.88 0.95 2.66 0.00 -1.23 -2.39 103.07 111.15 3maq h GLY 277 Ca -0.38 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 46.57 3maq h GLY 277 CO 0.77 0.28 -0.04 -2.22 0.00 0.00 0.00 176.54 175.33 3maq h ILE 278 N 0.79 1.27 -0.39 2.60 2.04 -1.93 -1.11 117.51 120.78 3maq h ILE 278 Ca 0.25 -1.08 -0.13 0.00 1.00 0.00 0.00 64.86 64.90 3maq h ILE 278 Cb 0.04 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3maq h ILE 278 CO -0.07 0.36 -0.28 -0.33 0.00 0.00 0.00 178.15 177.84 3maq h GLU 279 N 0.54 0.88 -0.50 2.37 4.39 -1.93 -2.80 114.58 117.53 3maq h GLU 279 Ca 0.11 -0.42 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 3maq h GLU 279 Cb 0.53 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 3maq h GLU 279 CO 0.03 1.07 0.25 0.00 -1.16 0.00 0.00 179.01 179.20 3maq h ALA 280 N 0.79 0.64 -0.41 3.43 0.00 -1.33 -0.47 119.26 121.91 3maq h ALA 280 Ca 0.08 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3maq h ALA 280 Cb 0.86 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3maq h ALA 280 CO 0.08 0.19 -0.20 -0.07 0.00 0.00 0.00 179.25 179.24 3maq h LEU 281 N 0.66 0.81 -1.18 0.00 4.07 -1.24 -1.99 115.31 116.44 3maq h LEU 281 Ca 0.17 -0.28 -0.07 0.00 0.08 0.00 0.00 57.88 57.78 3maq h LEU 281 Cb 0.10 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 3maq h LEU 281 CO -0.02 0.99 -0.15 0.11 -1.08 0.00 0.00 178.44 178.29 3maq h LYS 282 N 0.70 0.39 -0.56 1.13 1.57 -1.28 -0.82 116.57 117.69 3maq h LYS 282 Ca 0.10 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3maq h LYS 282 Cb 0.72 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 3maq h LYS 282 CO 0.06 0.54 0.31 1.03 -0.57 0.00 0.00 179.45 180.82 3maq h SER 283 N 0.36 0.68 -0.60 0.86 0.87 -0.49 -2.00 113.55 113.24 3maq h SER 283 Ca 0.07 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3maq h SER 283 Cb 0.48 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 3maq h SER 283 CO 0.03 0.55 0.00 0.00 -0.53 0.00 0.00 176.83 176.88 3maq n ALA 284 N -2.45 3.27 -1.96 6.23 0.00 -0.78 -4.95 120.51 119.88 3maq n ALA 284 Ca 0.05 -1.58 -0.14 0.00 0.00 0.00 0.00 53.44 51.77 3maq n ALA 284 Cb 0.09 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 3maq n ALA 284 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3maq n PHE 285 N 0.95 -0.43 -2.66 0.00 3.72 -0.75 -4.78 117.46 113.52 3maq n PHE 285 Ca 0.25 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.25 3maq n PHE 285 Cb 0.93 -2.80 -0.05 0.00 -0.94 0.00 0.00 39.48 36.62 3maq n PHE 285 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3maq s TRP 286 N -2.63 3.83 0.03 1.38 0.52 -0.39 -5.01 118.94 116.67 3maq s TRP 286 Ca 0.00 1.82 0.05 0.00 0.02 0.00 0.00 56.10 57.99 3maq s TRP 286 Cb 0.00 -3.09 -0.02 0.00 -1.15 0.00 0.00 33.47 29.21 3maq s TRP 286 CO 0.00 0.08 -0.16 1.21 0.02 0.00 0.00 176.95 178.10 3maq s ASN 287 N -0.83 1.90 0.09 2.95 3.84 -1.26 -4.47 114.94 117.15 3maq s ASN 287 Ca 0.44 -0.44 -0.02 0.00 0.21 0.00 0.00 52.86 53.05 3maq s ASN 287 Cb -0.27 -0.15 -0.04 0.00 -0.55 0.00 0.00 41.25 40.24 3maq s ASN 287 CO 0.34 0.10 0.03 -0.36 -2.79 0.00 0.00 177.10 174.42 3maq s PHE 288 N -0.74 0.59 0.31 0.43 0.08 -1.26 -5.03 117.98 112.37 3maq s PHE 288 Ca 0.04 -1.07 0.02 0.00 0.12 0.00 0.00 56.93 56.04 3maq s PHE 288 Cb -0.08 -0.37 0.57 0.00 -0.57 0.00 0.00 43.02 42.57 3maq s PHE 288 CO 0.01 -0.46 1.91 0.66 -0.10 0.00 0.00 175.22 177.24 3maq h SER 289 N 2.99 0.87 -5.05 1.36 4.64 -2.00 -3.43 113.55 112.92 3maq h SER 289 Ca -0.34 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 60.92 3maq h SER 289 Cb 1.17 -0.17 -0.15 0.00 -0.31 0.00 0.00 62.40 62.94 3maq h SER 289 CO 0.62 0.54 -0.09 -0.94 -0.87 0.00 0.00 176.83 176.09 3maq s SER 290 N -5.99 -0.26 0.00 4.97 1.04 -1.26 -5.06 113.70 107.14 3maq s SER 290 Ca -0.11 -0.14 0.19 0.00 0.48 0.00 0.00 55.95 56.37 3maq s SER 290 Cb 0.20 0.44 0.54 0.00 0.10 0.00 0.00 66.02 67.30 3maq s SER 290 CO 0.80 -0.74 1.45 0.49 0.98 0.00 0.00 173.24 176.21 3maq n PHE 291 N 0.20 0.80 -1.22 5.02 3.72 -1.26 -4.30 117.46 120.41 3maq n PHE 291 Ca -0.17 -0.40 -0.33 0.00 -0.05 0.00 0.00 57.45 56.50 3maq n PHE 291 Cb 0.61 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.27 3maq n PHE 291 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3maq s SER 292 N -1.02 3.90 0.22 4.37 1.04 -1.26 -4.79 113.70 116.15 3maq s SER 292 Ca 0.41 2.25 -0.10 0.00 0.48 0.00 0.00 55.95 58.99 3maq s SER 292 Cb 0.21 -2.58 0.17 0.00 0.10 0.00 0.00 66.02 63.93 3maq s SER 292 CO 0.28 -2.46 1.89 0.25 0.98 0.00 0.00 173.24 174.18 3maq h LEU 293 N -0.80 0.92 -0.49 2.42 5.85 -1.99 -2.48 115.31 118.73 3maq h LEU 293 Ca -0.46 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.26 3maq h LEU 293 Cb 1.28 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3maq h LEU 293 CO 0.48 0.66 0.30 -0.08 -0.34 0.00 0.00 178.44 179.46 3maq h GLU 294 N 1.08 0.58 -0.05 1.25 4.22 -1.97 -1.46 114.58 118.23 3maq h GLU 294 Ca 0.29 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.69 3maq h GLU 294 Cb -0.12 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 3maq h GLU 294 CO -0.06 0.38 -0.01 1.15 -2.18 0.00 0.00 179.01 178.30 3maq h THR 295 N 0.60 1.27 -0.57 0.32 2.02 -1.83 -0.42 112.91 114.30 3maq h THR 295 Ca 0.19 -0.84 -0.07 0.00 0.77 0.00 0.00 66.41 66.46 3maq h THR 295 Cb 0.00 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 3maq h THR 295 CO -0.08 0.23 0.06 0.58 0.37 0.00 0.00 175.52 176.68 3maq h VAL 296 N -0.23 1.25 -0.63 3.16 2.07 -1.42 -1.25 116.25 119.22 3maq h VAL 296 Ca 0.01 -1.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.45 3maq h VAL 296 Cb 0.37 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3maq h VAL 296 CO 0.00 0.37 0.08 0.00 0.02 0.00 0.00 177.57 178.04 3maq h ALA 297 N 1.18 0.84 -0.32 1.67 0.00 -1.23 -0.72 119.26 120.67 3maq h ALA 297 Ca 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3maq h ALA 297 Cb 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3maq h ALA 297 CO 0.01 0.62 0.11 0.37 0.00 0.00 0.00 179.25 180.36 3maq h GLN 298 N 0.97 0.49 -0.01 0.00 4.15 -0.70 0.22 115.11 120.23 3maq h GLN 298 Ca 0.19 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 3maq h GLN 298 Cb 0.46 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 3maq h GLN 298 CO 0.02 0.53 0.00 0.93 -1.93 0.00 0.00 178.83 178.37 3maq h GLU 299 N 0.36 0.01 0.17 1.69 5.08 -1.05 -2.05 114.58 118.79 3maq h GLU 299 Ca 0.10 -0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.15 3maq h GLU 299 Cb 0.23 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.51 3maq h GLU 299 CO -0.00 0.29 -1.32 -0.07 -1.00 0.00 0.00 179.01 176.90 3maq h LEU 300 N -0.26 0.87 -2.05 1.33 4.07 -1.16 -3.38 115.31 114.72 3maq h LEU 300 Ca 0.00 -0.86 0.00 0.00 0.08 0.00 0.00 57.88 57.10 3maq h LEU 300 Cb 0.28 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3maq h LEU 300 CO 0.00 1.65 0.00 0.18 -1.08 0.00 0.00 178.44 179.19 3maq n LEU 301 N -3.78 2.38 -2.01 1.67 4.77 0.05 -4.98 117.00 115.11 3maq n LEU 301 Ca -0.15 -1.42 -0.17 0.00 -0.03 0.00 0.00 56.01 54.24 3maq n LEU 301 Cb 1.03 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 42.01 3maq n LEU 301 CO 0.59 0.53 -0.18 0.61 -1.33 0.00 0.00 177.39 177.61 3maq n GLY 302 N 0.60 -0.32 3.54 -0.72 0.00 -0.77 -4.96 105.19 102.57 3maq n GLY 302 Ca 0.09 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 3maq n GLY 302 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3maq s GLU 303 N -4.94 3.39 0.31 1.61 2.56 -1.20 -4.97 118.70 115.46 3maq s GLU 303 Ca 0.04 -0.14 -0.28 0.00 0.00 0.00 0.00 54.97 54.60 3maq s GLU 303 Cb -0.02 -3.96 -0.09 0.00 2.00 0.00 0.00 34.13 32.06 3maq s GLU 303 CO 0.05 -1.17 1.01 0.20 -0.56 0.00 0.00 175.26 174.79 3maq s GLY 304 N 2.24 2.94 0.00 -1.50 0.00 -1.26 -3.78 107.32 105.96 3maq s GLY 304 Ca 0.30 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.70 3maq s GLY 304 CO 0.22 1.20 0.00 1.34 0.00 0.00 0.00 173.10 175.86 3maq n ASP 312 N 0.83 0.00 -0.10 1.64 -0.08 -1.26 -4.93 116.55 112.65 3maq n ASP 312 Ca 0.01 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.15 3maq n ASP 312 Cb 0.48 -0.02 -0.04 0.00 2.34 0.00 0.00 41.12 43.88 3maq n ASP 312 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3maq h ARG 313 N 0.00 0.77 -0.77 -0.67 2.43 -2.06 -3.07 114.38 111.02 3maq h ARG 313 Ca 0.00 -0.42 -0.03 0.00 -0.81 0.00 0.00 59.98 58.71 3maq h ARG 313 Cb 0.00 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 3maq h ARG 313 CO 0.00 1.05 0.34 1.98 -1.51 0.00 0.00 179.97 181.83 3maq h MET 314 N 0.54 1.11 -0.68 0.20 4.05 -1.99 -2.12 114.93 116.04 3maq h MET 314 Ca 0.04 -0.17 -0.05 0.00 -0.28 0.00 0.00 59.70 59.24 3maq h MET 314 Cb 0.93 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 31.50 3maq h MET 314 CO 0.08 0.87 0.24 -0.44 0.23 0.00 0.00 176.91 177.90 3maq h ASP 315 N 1.10 0.96 -0.73 1.39 3.32 -1.99 -1.64 116.42 118.83 3maq h ASP 315 Ca 0.26 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 3maq h ASP 315 Cb 0.15 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3maq h ASP 315 CO -0.03 0.89 0.33 -0.08 -1.72 0.00 0.00 179.24 178.63 3maq h GLU 316 N 0.97 1.07 -0.64 3.56 4.57 -1.38 0.44 114.58 123.17 3maq h GLU 316 Ca 0.22 -0.17 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 3maq h GLU 316 Cb 0.26 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 3maq h GLU 316 CO -0.01 0.86 0.05 0.82 -1.18 0.00 0.00 179.01 179.54 3maq h ILE 317 N 1.04 1.27 -0.78 2.32 2.04 -1.12 -0.67 117.51 121.60 3maq h ILE 317 Ca 0.25 -1.11 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 3maq h ILE 317 Cb 0.16 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3maq h ILE 317 CO -0.03 0.41 0.31 0.44 0.00 0.00 0.00 178.15 179.29 3maq h ASP 318 N 1.02 1.07 -0.35 1.72 3.32 -0.81 -1.50 116.42 120.89 3maq h ASP 318 Ca 0.19 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3maq h ASP 318 Cb 0.51 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3maq h ASP 318 CO 0.02 0.95 0.04 -0.09 -1.72 0.00 0.00 179.24 178.44 3maq h ARG 319 N 1.13 0.59 -0.53 3.56 2.43 -0.60 0.12 114.38 121.08 3maq h ARG 319 Ca 0.26 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 3maq h ARG 319 Cb 0.21 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3maq h ARG 319 CO -0.02 0.68 0.02 0.00 -1.51 0.00 0.00 179.97 179.14 3maq h ARG 320 N 0.41 0.88 -0.48 0.20 3.08 -0.98 0.70 114.38 118.20 3maq h ARG 320 Ca 0.10 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.80 3maq h ARG 320 Cb 0.39 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3maq h ARG 320 CO 0.01 0.87 -0.14 0.35 -1.07 0.00 0.00 179.97 179.99 3maq h PHE 321 N 0.82 1.06 -0.55 3.04 3.57 -1.12 0.99 116.94 124.76 3maq h PHE 321 Ca 0.16 -0.24 -0.09 0.00 3.53 0.00 0.00 57.97 61.33 3maq h PHE 321 Cb 0.46 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3maq h PHE 321 CO 0.03 1.03 -0.02 0.00 -2.23 0.00 0.00 178.31 177.12 3maq h ALA 322 N 0.88 0.74 0.00 2.41 0.00 -0.14 -3.40 119.26 119.74 3maq h ALA 322 Ca 0.12 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3maq h ALA 322 Cb 0.70 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3maq h ALA 322 CO 0.05 0.58 -1.13 0.39 0.00 0.00 0.00 179.25 179.15 3maq n GLU 323 N -4.24 3.27 -3.32 0.00 1.02 0.24 -4.97 120.64 112.64 3maq n GLU 323 Ca 0.02 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.90 3maq n GLU 323 Cb 0.35 -1.05 -0.08 0.00 -0.02 0.00 0.00 31.44 30.63 3maq n GLU 323 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3maq n ASP 324 N -2.13 0.43 -0.04 1.62 -0.08 0.33 -4.14 116.55 112.54 3maq n ASP 324 Ca -0.03 -2.68 0.05 0.00 -1.51 0.00 0.00 54.79 50.62 3maq n ASP 324 Cb 0.56 -0.62 0.42 0.00 2.34 0.00 0.00 41.12 43.82 3maq n ASP 324 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3maq h LYS 325 N 4.65 0.56 -0.31 -0.67 1.57 -1.39 -1.30 116.57 119.69 3maq h LYS 325 Ca 0.15 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3maq h LYS 325 Cb 0.86 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 3maq h LYS 325 CO 0.48 0.37 0.04 -1.35 -0.57 0.00 0.00 179.45 178.42 3maq h PRO 326 N 0.58 0.45 -0.20 3.15 0.11 -1.87 -0.22 132.00 134.00 3maq h PRO 326 Ca 0.19 -0.08 -0.16 0.00 0.11 0.00 0.00 66.00 66.06 3maq h PRO 326 Cb 0.06 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3maq h PRO 326 CO -0.05 0.45 -0.55 0.00 -0.21 0.00 0.00 178.00 177.64 3maq h ALA 327 N 1.61 0.66 -0.48 -0.75 0.00 -1.59 -1.68 119.26 117.03 3maq h ALA 327 Ca 0.10 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 3maq h ALA 327 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3maq h ALA 327 CO 0.00 0.69 -0.05 1.25 0.00 0.00 0.00 179.25 181.14 3maq h LEU 328 N 0.46 0.87 -1.12 0.00 5.85 -0.97 -1.87 115.31 118.53 3maq h LEU 328 Ca 0.01 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.35 3maq h LEU 328 Cb 1.10 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 3maq h LEU 328 CO 0.11 0.99 0.11 0.00 -0.34 0.00 0.00 178.44 179.31 3maq h ALA 329 N 0.91 1.29 -0.45 1.25 0.00 -0.94 0.22 119.26 121.53 3maq h ALA 329 Ca 0.13 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3maq h ALA 329 Cb 0.58 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3maq h ALA 329 CO 0.03 0.50 -0.03 1.15 0.00 0.00 0.00 179.25 180.90 3maq h THR 330 N 0.71 1.27 -0.37 0.00 2.02 -1.10 -0.11 112.91 115.32 3maq h THR 330 Ca 0.16 -1.11 -0.07 0.00 0.77 0.00 0.00 66.41 66.16 3maq h THR 330 Cb 0.27 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3maq h THR 330 CO -0.00 0.38 -0.05 0.22 0.37 0.00 0.00 175.52 176.44 3maq h TYR 331 N 0.67 0.77 -0.30 3.16 3.20 -0.78 -1.53 116.97 122.15 3maq h TYR 331 Ca 0.12 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 3maq h TYR 331 Cb 0.55 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3maq h TYR 331 CO 0.04 0.82 0.07 -0.97 -1.64 0.00 0.00 178.16 176.48 3maq h ASN 332 N 0.50 0.46 0.02 -2.11 -0.73 -0.46 -2.80 115.58 110.47 3maq h ASN 332 Ca 0.10 -0.23 -0.10 0.00 1.87 0.00 0.00 56.30 57.93 3maq h ASN 332 Cb 0.55 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 3maq h ASN 332 CO 0.03 0.58 -0.31 0.25 -0.37 0.00 0.00 177.43 177.60 3maq h LEU 333 N 0.33 0.43 -1.21 0.34 5.85 -1.02 -2.90 115.31 117.13 3maq h LEU 333 Ca 0.10 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3maq h LEU 333 Cb 0.30 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3maq h LEU 333 CO 0.00 0.73 0.34 0.50 -0.34 0.00 0.00 178.44 179.67 3maq h LYS 334 N 0.37 0.88 -0.18 1.25 3.64 -1.10 0.31 116.57 121.75 3maq h LYS 334 Ca 0.05 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 3maq h LYS 334 Cb 0.73 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3maq h LYS 334 CO 0.06 0.66 -0.27 -0.91 -2.27 0.00 0.00 179.45 176.71 3maq h ASN 335 N 0.89 0.34 -0.15 4.20 2.35 -1.30 0.45 115.58 122.36 3maq h ASN 335 Ca 0.23 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 3maq h ASN 335 Cb 0.04 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3maq h ASN 335 CO -0.04 0.62 -0.02 0.00 -1.65 0.00 0.00 177.43 176.34 3maq h GLU 337 N 0.00 0.26 -0.34 0.00 5.08 -0.63 -2.08 114.58 116.86 3maq h GLU 337 Ca 0.04 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 3maq h GLU 337 Cb 0.42 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3maq h GLU 337 CO 0.01 0.43 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.05 3maq h LEU 338 N 0.24 0.80 -0.64 1.33 3.38 -0.81 -0.98 115.31 118.63 3maq h LEU 338 Ca 0.05 -0.33 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 3maq h LEU 338 Cb 0.45 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3maq h LEU 338 CO 0.03 1.06 -0.10 0.58 0.09 0.00 0.00 178.44 180.10 3maq h VAL 339 N 0.64 1.27 -0.49 1.22 2.07 -1.26 -0.44 116.25 119.25 3maq h VAL 339 Ca 0.07 -1.23 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 3maq h VAL 339 Cb 0.87 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3maq h VAL 339 CO 0.08 0.43 0.05 0.74 0.02 0.00 0.00 177.57 178.89 3maq h THR 340 N 0.86 1.26 -0.35 2.57 2.02 -1.17 -2.32 112.91 115.78 3maq h THR 340 Ca 0.14 -0.99 -0.12 0.00 0.77 0.00 0.00 66.41 66.20 3maq h THR 340 Cb 0.64 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3maq h THR 340 CO 0.04 0.35 -0.28 1.56 0.37 0.00 0.00 175.52 177.56 3maq h GLN 341 N 0.71 0.73 -0.62 6.66 1.08 -0.96 -1.91 115.11 120.79 3maq h GLN 341 Ca 0.15 -0.32 -0.07 0.00 -1.45 0.00 0.00 58.65 56.96 3maq h GLN 341 Cb 0.45 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 3maq h GLN 341 CO 0.02 0.93 0.11 0.82 -0.95 0.00 0.00 178.83 179.75 3maq h ILE 342 N 0.63 1.25 -0.31 2.54 2.04 -1.01 -0.63 117.51 122.02 3maq h ILE 342 Ca 0.08 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 3maq h ILE 342 Cb 0.79 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3maq h ILE 342 CO 0.07 0.37 0.17 -0.26 0.00 0.00 0.00 178.15 178.49 3maq h PHE 343 N 0.95 0.44 -0.20 1.37 0.04 -1.16 -1.39 116.94 116.98 3maq h PHE 343 Ca 0.19 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.91 3maq h PHE 343 Cb 0.40 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 3maq h PHE 343 CO 0.03 0.36 -0.03 0.45 -0.60 0.00 0.00 178.31 178.52 3maq h HIS 344 N 0.38 0.42 -0.33 -0.55 3.86 -1.16 -2.52 115.15 115.26 3maq h HIS 344 Ca 0.11 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 3maq h HIS 344 Cb 0.08 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 3maq h HIS 344 CO -0.03 0.61 0.13 -0.22 0.86 0.00 0.00 177.93 179.28 3maq h LYS 345 N 0.12 0.46 -0.02 2.45 1.63 -1.02 -2.05 116.57 118.14 3maq h LYS 345 Ca 0.05 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3maq h LYS 345 Cb 0.46 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 3maq h LYS 345 CO 0.02 0.38 -0.13 0.25 -3.45 0.00 0.00 179.45 176.52 3maq n THR 346 N -4.41 0.00 -3.78 1.00 -2.24 -0.53 -4.93 114.28 99.39 3maq n THR 346 Ca 0.02 -0.26 -0.29 0.00 -2.27 0.00 0.00 64.05 61.25 3maq n THR 346 Cb 0.13 0.72 -0.00 0.00 -2.10 0.00 0.00 70.33 69.08 3maq n THR 346 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3maq n GLU 347 N 0.10 -3.95 0.01 -0.78 1.02 -0.77 -4.85 120.64 111.42 3maq n GLU 347 Ca 0.15 0.49 -0.07 0.00 -0.02 0.00 0.00 57.16 57.71 3maq n GLU 347 Cb 0.41 -5.26 0.11 0.00 -0.02 0.00 0.00 31.44 26.68 3maq n GLU 347 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3maq h ILE 348 N -1.45 1.31 -0.37 -3.67 6.09 -1.81 -2.81 117.51 114.80 3maq h ILE 348 Ca -0.52 -1.60 -0.03 0.00 -1.37 0.00 0.00 64.86 61.34 3maq h ILE 348 Cb 1.34 1.60 -0.02 0.00 0.47 0.00 0.00 36.82 40.22 3maq h ILE 348 CO 0.65 0.50 0.11 -0.03 -3.07 0.00 0.00 178.15 176.31 3maq h MET 349 N 0.42 0.57 -0.46 2.19 4.05 -1.89 -0.45 114.93 119.36 3maq h MET 349 Ca 0.03 -0.12 -0.05 0.00 -0.28 0.00 0.00 59.70 59.29 3maq h MET 349 Cb 0.92 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.61 3maq h MET 349 CO 0.08 0.58 0.09 -1.35 0.23 0.00 0.00 176.91 176.55 3maq h PRO 350 N 0.44 0.70 -0.31 0.39 0.11 -1.93 -1.73 132.00 129.66 3maq h PRO 350 Ca 0.12 -0.14 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 3maq h PRO 350 Cb 0.25 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3maq h PRO 350 CO -0.00 0.65 0.06 0.35 -0.21 0.00 0.00 178.00 178.85 3maq h PHE 351 N 0.68 0.53 -0.24 0.65 3.57 -1.17 -1.36 116.94 119.59 3maq h PHE 351 Ca 0.15 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 3maq h PHE 351 Cb 0.28 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3maq h PHE 351 CO 0.01 0.57 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.39 3maq h LEU 352 N 0.34 0.43 -0.47 0.59 3.38 -0.88 0.15 115.31 118.85 3maq h LEU 352 Ca 0.10 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3maq h LEU 352 Cb 0.31 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3maq h LEU 352 CO 0.00 0.64 0.11 -0.07 0.09 0.00 0.00 178.44 179.21 3maq h LEU 353 N 0.39 0.71 -0.36 1.67 4.07 -1.13 -0.25 115.31 120.42 3maq h LEU 353 Ca 0.07 -0.24 -0.05 0.00 0.08 0.00 0.00 57.88 57.74 3maq h LEU 353 Cb 0.58 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 3maq h LEU 353 CO 0.04 0.76 0.04 -0.33 -1.08 0.00 0.00 178.44 177.88 3maq h GLU 354 N 0.63 0.61 -0.62 1.13 4.39 -0.86 -2.16 114.58 117.69 3maq h GLU 354 Ca 0.15 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 3maq h GLU 354 Cb 0.33 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 3maq h GLU 354 CO 0.00 0.69 0.26 -0.09 -1.16 0.00 0.00 179.01 178.71 3maq h ARG 355 N 0.44 0.89 -0.10 2.33 2.43 -0.81 -1.37 114.38 118.20 3maq h ARG 355 Ca 0.11 -0.13 -0.15 0.00 -0.81 0.00 0.00 59.98 58.99 3maq h ARG 355 Cb 0.38 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3maq h ARG 355 CO 0.01 0.72 -0.61 0.00 -1.51 0.00 0.00 179.97 178.58 3maq h ALA 356 N 1.41 0.78 -0.68 2.80 0.00 -0.96 -1.03 119.26 121.57 3maq h ALA 356 Ca 0.21 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 3maq h ALA 356 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3maq h ALA 356 CO -0.02 0.72 0.16 1.15 0.00 0.00 0.00 179.25 181.26 3maq h THR 357 N 0.25 1.26 -0.01 0.00 2.02 -0.70 -2.59 112.91 113.13 3maq h THR 357 Ca -0.01 -0.96 -0.07 0.00 0.77 0.00 0.00 66.41 66.14 3maq h THR 357 Cb 1.13 0.56 0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3maq h THR 357 CO 0.10 0.37 -0.28 0.58 0.37 0.00 0.00 175.52 176.66 3maq h VAL 358 N 1.03 1.52 -0.01 3.16 2.07 -1.11 -3.38 116.25 119.54 3maq h VAL 358 Ca 0.21 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.81 3maq h VAL 358 Cb 0.37 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 3maq h VAL 358 CO 0.00 0.53 -0.18 -0.46 0.02 0.00 0.00 177.57 177.49 3maq n ASN 359 N -4.48 1.21 0.00 0.57 6.94 -0.41 -4.95 115.26 114.14 3maq n ASN 359 Ca -0.10 -1.10 0.00 0.00 -0.02 0.00 0.00 54.58 53.36 3maq n ASN 359 Cb 0.51 0.09 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 3maq n ASN 359 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3maq n GLY 360 N 1.29 1.63 3.94 4.83 0.00 -0.98 -4.49 105.19 111.41 3maq n GLY 360 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 3maq n GLY 360 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3maq s LEU 361 N 0.00 3.80 0.58 0.99 1.43 -1.25 -4.89 118.68 119.33 3maq s LEU 361 Ca 0.00 0.45 -0.20 0.00 -1.03 0.00 0.00 54.13 53.35 3maq s LEU 361 Cb 0.00 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 3maq s LEU 361 CO 0.00 -0.51 1.26 -2.84 0.23 0.00 0.00 176.35 174.48 3maq s PRO 362 N -4.48 2.99 0.38 1.29 0.02 -1.26 -4.61 135.00 129.32 3maq s PRO 362 Ca 0.45 1.97 0.08 0.00 0.02 0.00 0.00 61.00 63.52 3maq s PRO 362 Cb -0.10 -2.03 0.82 0.00 0.02 0.00 0.00 34.50 33.21 3maq s PRO 362 CO 0.38 -1.23 1.94 0.28 -0.33 0.00 0.00 177.00 178.05 3maq h VAL 363 N 1.03 0.95 -0.00 3.83 2.07 -1.87 -0.66 116.25 121.60 3maq h VAL 363 Ca -0.51 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3maq h VAL 363 Cb 1.30 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3maq h VAL 363 CO 0.56 0.12 -0.00 -0.90 0.02 0.00 0.00 177.57 177.37 3maq n ASP 364 N -4.49 0.25 -4.56 0.57 5.68 -1.26 -4.79 116.55 107.95 3maq n ASP 364 Ca 0.12 -1.04 -0.42 0.00 -0.50 0.00 0.00 54.79 52.95 3maq n ASP 364 Cb 0.31 -0.01 -0.07 0.00 -1.14 0.00 0.00 41.12 40.21 3maq n ASP 364 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3maq s ARG 365 N -2.03 3.61 0.32 0.11 3.52 -0.26 -5.03 118.95 119.19 3maq s ARG 365 Ca 0.45 -0.06 -0.00 0.00 -0.13 0.00 0.00 55.73 55.99 3maq s ARG 365 Cb 0.22 -3.83 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 3maq s ARG 365 CO 0.37 -0.75 0.53 -1.01 -0.81 0.00 0.00 175.30 173.62 3maq s HIS 366 N 2.65 3.49 0.00 5.12 3.76 -1.26 -4.82 115.29 124.24 3maq s HIS 366 Ca 0.23 0.39 0.00 0.00 -0.15 0.00 0.00 55.06 55.53 3maq s HIS 366 Cb -0.15 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.62 3maq s HIS 366 CO 0.15 0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.61 3maq n GLY 367 N -1.52 1.47 2.33 -2.22 0.00 -1.26 -4.94 105.19 99.05 3maq n GLY 367 Ca -0.04 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 3maq n GLY 367 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3maq n GLY 368 N 0.00 0.06 0.35 -0.02 0.00 -1.26 -4.92 105.19 99.40 3maq n GLY 368 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.67 3maq n GLY 368 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3maq h SER 369 N -0.55 1.00 -0.19 1.61 0.02 -1.97 0.23 113.55 113.70 3maq h SER 369 Ca -0.26 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.60 3maq h SER 369 Cb 1.18 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 3maq h SER 369 CO 0.28 0.67 -0.25 0.58 -1.14 0.00 0.00 176.83 176.97 3maq h VAL 370 N 1.16 1.33 -0.60 2.27 2.07 -1.93 -1.73 116.25 118.83 3maq h VAL 370 Ca 0.39 -1.44 -0.09 0.00 0.82 0.00 0.00 66.70 66.38 3maq h VAL 370 Cb 0.08 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3maq h VAL 370 CO -0.14 0.44 0.03 0.00 0.02 0.00 0.00 177.57 177.91 3maq h ALA 371 N 0.62 0.91 -0.41 1.67 0.00 -1.85 -2.13 119.26 118.08 3maq h ALA 371 Ca 0.02 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3maq h ALA 371 Cb 0.81 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3maq h ALA 371 CO 0.06 0.65 -0.08 0.00 0.00 0.00 0.00 179.25 179.88 3maq h ALA 372 N 1.07 1.09 -0.70 0.00 0.00 -0.55 -1.01 119.26 119.16 3maq h ALA 372 Ca 0.18 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3maq h ALA 372 Cb 0.51 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3maq h ALA 372 CO 0.02 0.56 0.22 0.35 0.00 0.00 0.00 179.25 180.41 3maq h PHE 373 N 0.64 1.12 -0.26 0.00 3.57 -0.99 -2.43 116.94 118.60 3maq h PHE 373 Ca 0.12 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 3maq h PHE 373 Cb 0.53 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3maq h PHE 373 CO 0.02 0.89 0.04 0.78 -2.23 0.00 0.00 178.31 177.82 3maq h GLY 374 N 1.02 0.46 0.99 2.40 0.00 -0.96 0.83 103.07 107.81 3maq h GLY 374 Ca 0.23 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.27 3maq h GLY 374 CO -0.01 0.28 0.62 0.84 0.00 0.00 0.00 176.54 178.27 3maq h HIS 375 N 0.24 1.16 0.02 5.60 -0.00 -1.07 -1.62 115.15 119.49 3maq h HIS 375 Ca 0.08 0.03 -0.23 0.00 -0.00 0.00 0.00 60.37 60.25 3maq h HIS 375 Cb 0.33 -0.39 0.02 0.00 -0.00 0.00 0.00 27.41 27.36 3maq h HIS 375 CO 0.02 0.72 -0.90 -0.07 -0.00 0.00 0.00 177.93 177.70 3maq h LEU 376 N 1.25 0.76 -0.24 0.26 3.38 -1.34 -3.38 115.31 116.00 3maq h LEU 376 Ca 0.35 -0.76 -0.14 0.00 0.09 0.00 0.00 57.88 57.41 3maq h LEU 376 Cb -0.12 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.40 3maq h LEU 376 CO -0.08 1.43 -0.41 0.22 0.09 0.00 0.00 178.44 179.69 3maq h TYR 377 N 0.17 0.87 -0.67 1.13 3.20 -0.60 -3.38 116.97 117.70 3maq h TYR 377 Ca -0.12 -0.30 0.14 0.00 3.14 0.00 0.00 58.73 61.59 3maq h TYR 377 Cb 1.58 -0.17 -0.11 0.00 1.54 0.00 0.00 36.73 39.58 3maq h TYR 377 CO 0.12 1.08 0.08 0.74 -1.64 0.00 0.00 178.16 178.54 3maq h PHE 378 N 0.42 0.10 -0.38 -3.82 0.05 -1.48 0.37 116.94 112.20 3maq h PHE 378 Ca 0.02 0.04 -0.07 0.00 3.82 0.00 0.00 57.97 61.78 3maq h PHE 378 Cb 1.00 0.06 -0.02 0.00 2.00 0.00 0.00 35.95 39.00 3maq h PHE 378 CO 0.08 -0.13 -0.06 -1.00 -0.18 0.00 0.00 178.31 177.02 3maq h PRO 379 N 0.18 0.64 -0.14 1.51 0.13 -1.76 0.76 132.00 133.33 3maq h PRO 379 Ca 0.36 -0.18 -0.20 0.00 -0.87 0.00 0.00 66.00 65.11 3maq h PRO 379 Cb 0.60 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.66 3maq h PRO 379 CO -0.52 0.71 -0.74 0.00 -0.23 0.00 0.00 178.00 177.22 3maq h ARG 380 N 0.60 0.66 -0.42 0.86 3.08 -1.60 -1.84 114.38 115.72 3maq h ARG 380 Ca 0.11 -0.52 -0.06 0.00 0.07 0.00 0.00 59.98 59.59 3maq h ARG 380 Cb 0.47 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 3maq h ARG 380 CO 0.02 1.14 0.04 1.98 -1.07 0.00 0.00 179.97 182.09 3maq h MET 381 N 0.46 0.71 -0.77 0.04 4.05 -0.71 -1.85 114.93 116.86 3maq h MET 381 Ca -0.04 -0.20 -0.05 0.00 -0.28 0.00 0.00 59.70 59.13 3maq h MET 381 Cb 1.34 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 32.03 3maq h MET 381 CO 0.14 0.76 0.29 0.45 0.23 0.00 0.00 176.91 178.79 3maq h HIS 382 N 0.55 1.18 -0.09 1.39 3.86 -0.81 -1.65 115.15 119.57 3maq h HIS 382 Ca 0.12 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3maq h HIS 382 Cb 0.41 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3maq h HIS 382 CO 0.03 0.90 0.02 0.00 0.86 0.00 0.00 177.93 179.74 3maq h ARG 383 N 1.12 0.13 -0.09 2.45 -0.00 -1.06 -1.43 114.38 115.49 3maq h ARG 383 Ca 0.25 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.72 3maq h ARG 383 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.18 3maq h ARG 383 CO -0.02 0.12 0.00 0.00 0.00 0.00 0.00 179.97 180.07 3maq n ALA 384 N -2.52 2.56 -0.26 0.04 0.00 -0.70 -4.92 120.51 114.71 3maq n ALA 384 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3maq n ALA 384 Cb 0.11 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3maq n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3maq n GLY 385 N 1.08 0.86 3.23 0.00 0.00 -0.54 -5.04 105.19 104.77 3maq n GLY 385 Ca 0.17 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 3maq n GLY 385 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3maq s TYR 386 N -2.00 1.42 0.15 1.61 2.02 -0.73 -0.34 117.35 119.48 3maq s TYR 386 Ca 0.00 -0.50 0.07 0.00 -0.37 0.00 0.00 57.07 56.27 3maq s TYR 386 Cb 0.00 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 3maq s TYR 386 CO 0.00 0.13 -0.05 0.14 -1.57 0.00 0.00 175.55 174.21 3maq s VAL 387 N -1.70 3.54 0.34 0.71 -7.23 -0.61 -3.21 120.40 112.25 3maq s VAL 387 Ca 0.05 -1.40 -0.28 0.00 -1.81 0.00 0.00 61.98 58.54 3maq s VAL 387 Cb -0.07 -2.73 -0.10 0.00 0.56 0.00 0.00 36.38 34.03 3maq s VAL 387 CO 0.03 -0.03 1.26 0.00 -0.31 0.00 0.00 175.10 176.05 3maq s ALA 388 N -1.55 3.42 0.64 1.32 0.00 -1.26 -4.24 121.76 120.08 3maq s ALA 388 Ca 0.25 1.18 -0.14 0.00 0.00 0.00 0.00 51.96 53.25 3maq s ALA 388 Cb -0.10 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 3maq s ALA 388 CO 0.17 -0.59 1.06 -1.25 0.00 0.00 0.00 175.76 175.15 3maq s PRO 389 N -1.86 3.16 0.68 0.00 0.04 -1.26 -4.45 135.00 131.30 3maq s PRO 389 Ca 0.50 1.10 -0.04 0.00 0.04 0.00 0.00 61.00 62.60 3maq s PRO 389 Cb -0.37 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.22 3maq s PRO 389 CO 0.49 -0.93 0.96 -0.80 0.04 0.00 0.00 177.00 176.76 3maq s ASN 390 N -3.20 4.77 0.48 6.66 0.01 -1.26 -4.76 114.94 117.64 3maq s ASN 390 Ca 0.61 0.16 -0.22 0.00 -0.71 0.00 0.00 52.86 52.71 3maq s ASN 390 Cb -0.15 -0.80 -0.08 0.00 0.41 0.00 0.00 41.25 40.63 3maq s ASN 390 CO 0.44 -1.58 1.10 -0.76 -1.51 0.00 0.00 177.10 174.80 3maq s LEU 391 N -5.12 3.93 0.00 0.60 1.43 -1.26 -3.73 118.68 114.52 3maq s LEU 391 Ca 0.61 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 3maq s LEU 391 Cb -0.09 -4.39 0.00 0.00 0.03 0.00 0.00 46.19 41.73 3maq s LEU 391 CO 0.43 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.75 3maq n GLY 392 N 0.18 0.76 0.13 -3.19 0.00 -1.26 -4.94 105.19 96.88 3maq n GLY 392 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 3maq n GLY 392 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3maq h GLU 393 N 2.78 0.00 -5.20 1.61 5.08 -1.93 -3.44 114.58 113.48 3maq h GLU 393 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 3maq h GLU 393 Cb 0.00 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 28.98 3maq h GLU 393 CO 0.00 0.58 -0.75 0.08 -1.00 0.00 0.00 179.01 177.92 3maq s VAL 394 N -3.08 3.11 0.25 3.13 1.01 -1.26 -5.08 120.40 118.47 3maq s VAL 394 Ca 0.02 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 61.08 3maq s VAL 394 Cb 0.09 -2.34 -0.11 0.00 0.00 0.00 0.00 36.38 34.01 3maq s VAL 394 CO 0.75 0.49 1.64 -2.84 0.00 0.00 0.00 175.10 175.14 3maq s PRO 395 N 0.76 4.14 0.27 2.72 0.02 -1.26 -4.93 135.00 136.71 3maq s PRO 395 Ca -0.04 2.56 -0.30 0.00 0.02 0.00 0.00 61.00 63.24 3maq s PRO 395 Cb -0.15 -3.06 -0.10 0.00 0.02 0.00 0.00 34.50 31.21 3maq s PRO 395 CO 0.01 -0.67 1.47 -1.25 -0.33 0.00 0.00 177.00 176.23 3maq s PRO 396 N 0.30 4.23 -0.04 5.54 0.04 -1.26 -4.82 135.00 139.00 3maq s PRO 396 Ca 0.68 2.37 -0.04 0.00 0.04 0.00 0.00 61.00 64.05 3maq s PRO 396 Cb -0.48 -3.08 0.01 0.00 0.04 0.00 0.00 34.50 30.99 3maq s PRO 396 CO 0.40 -0.46 0.11 -1.58 0.04 0.00 0.00 177.00 175.52 3maq s HIS 397 N -0.14 -0.13 0.43 0.56 2.46 -1.26 -5.12 115.29 112.11 3maq s HIS 397 Ca 0.59 0.31 -0.22 0.00 0.47 0.00 0.00 55.06 56.21 3maq s HIS 397 Cb -0.43 0.03 -0.09 0.00 -0.13 0.00 0.00 32.58 31.96 3maq s HIS 397 CO 0.46 -0.07 1.01 0.00 -2.47 0.00 0.00 174.74 173.67 3maq s ALA 398 N 0.13 3.00 -0.03 1.58 0.00 -1.26 -4.80 121.76 120.38 3maq s ALA 398 Ca -0.01 0.56 0.06 0.00 0.00 0.00 0.00 51.96 52.58 3maq s ALA 398 Cb -0.01 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 3maq s ALA 398 CO -0.00 -0.11 -0.23 -1.12 0.00 0.00 0.00 175.76 174.30 3maq s SER 399 N -1.91 2.70 0.73 0.00 0.01 -1.26 -5.04 113.70 108.93 3maq s SER 399 Ca 0.62 -0.43 -0.15 0.00 1.31 0.00 0.00 55.95 57.30 3maq s SER 399 Cb -0.16 -0.50 0.04 0.00 0.21 0.00 0.00 66.02 65.62 3maq s SER 399 CO 0.20 0.25 1.22 -2.16 0.41 0.00 0.00 173.24 173.16 3maq s PRO 400 N -0.34 2.09 0.00 12.44 0.04 -1.26 -5.03 135.00 142.94 3maq s PRO 400 Ca 0.03 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.88 3maq s PRO 400 Cb -0.11 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3maq s PRO 400 CO 0.01 -1.89 0.00 0.41 0.04 0.00 0.00 177.00 175.57 3maq n GLY 401 N 0.50 2.22 3.81 0.56 0.00 -1.26 -4.78 105.19 106.25 3maq n GLY 401 Ca 0.14 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 3maq n GLY 401 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3maq s GLY 402 N 0.00 2.09 -0.11 -0.02 0.00 -1.26 -4.80 107.32 103.22 3maq s GLY 402 Ca 0.00 0.34 -0.17 0.00 0.00 0.00 0.00 44.72 44.89 3maq s GLY 402 CO 0.00 0.64 0.43 -0.47 0.00 0.00 0.00 173.10 173.71 3maq s TYR 403 N -2.52 3.53 -0.19 1.90 5.04 -1.26 -4.84 117.35 119.01 3maq s TYR 403 Ca 0.62 0.85 -0.01 0.00 -2.44 0.00 0.00 57.07 56.09 3maq s TYR 403 Cb -0.15 -2.48 0.01 0.00 0.35 0.00 0.00 41.96 39.69 3maq s TYR 403 CO 0.37 0.25 -0.14 0.08 -1.34 0.00 0.00 175.55 174.76 3maq s VAL 404 N 0.36 2.55 0.45 3.14 1.01 -1.26 -0.40 120.40 126.25 3maq s VAL 404 Ca 0.24 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 61.20 3maq s VAL 404 Cb -0.15 -2.11 -0.08 0.00 0.00 0.00 0.00 36.38 34.05 3maq s VAL 404 CO 0.09 0.50 1.30 -0.04 0.00 0.00 0.00 175.10 176.95 3maq s MET 405 N 1.30 3.74 0.22 2.72 -1.94 0.07 -4.97 119.30 120.44 3maq s MET 405 Ca 0.04 2.13 -0.30 0.00 -1.71 0.00 0.00 55.69 55.85 3maq s MET 405 Cb -0.14 -2.59 -0.09 0.00 2.01 0.00 0.00 34.83 34.03 3maq s MET 405 CO -0.08 -0.67 1.21 -0.51 -0.01 0.00 0.00 175.02 174.96 3maq s ASP 406 N -0.87 7.06 0.13 3.03 1.01 -1.26 -4.59 116.67 121.17 3maq s ASP 406 Ca 0.61 2.31 -0.03 0.00 0.71 0.00 0.00 52.55 56.15 3maq s ASP 406 Cb -0.37 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 40.89 3maq s ASP 406 CO 0.47 -0.37 0.35 -0.94 0.21 0.00 0.00 175.17 174.88 3maq s SER 407 N -0.06 6.46 -0.51 0.27 1.04 -1.26 -4.67 113.70 114.97 3maq s SER 407 Ca 0.52 0.51 -0.15 0.00 0.48 0.00 0.00 55.95 57.31 3maq s SER 407 Cb -0.34 -2.06 0.11 0.00 0.10 0.00 0.00 66.02 63.83 3maq s SER 407 CO 0.39 0.06 0.44 -0.60 0.98 0.00 0.00 173.24 174.52 3maq s ARG 408 N -2.69 2.90 0.39 4.02 3.52 -0.44 -4.02 118.95 122.62 3maq s ARG 408 Ca 0.40 -1.61 -0.27 0.00 -0.13 0.00 0.00 55.73 54.12 3maq s ARG 408 Cb -0.12 -4.18 -0.10 0.00 -1.56 0.00 0.00 34.95 28.99 3maq s ARG 408 CO 0.26 -1.21 1.36 -1.25 -0.81 0.00 0.00 175.30 173.64 3maq s PRO 409 N 1.57 4.07 0.00 5.12 0.04 -1.26 -4.85 135.00 139.69 3maq s PRO 409 Ca 0.04 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.37 3maq s PRO 409 Cb -0.28 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.39 3maq s PRO 409 CO 0.03 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.02 3maq n GLY 410 N 0.65 0.26 3.17 0.56 0.00 -0.41 -4.97 105.19 104.46 3maq n GLY 410 Ca 0.02 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 3maq n GLY 410 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3maq s LEU 411 N 0.00 3.39 0.35 0.99 2.96 -1.26 -0.28 118.68 124.82 3maq s LEU 411 Ca 0.00 -1.05 0.08 0.00 -0.22 0.00 0.00 54.13 52.94 3maq s LEU 411 Cb 0.00 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 3maq s LEU 411 CO 0.00 -0.17 0.11 -0.31 -1.32 0.00 0.00 176.35 174.66 3maq s TYR 412 N 1.27 2.66 0.13 5.38 2.02 0.24 -4.96 117.35 124.10 3maq s TYR 412 Ca -0.02 -0.42 0.07 0.00 -0.37 0.00 0.00 57.07 56.33 3maq s TYR 412 Cb -0.18 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 3maq s TYR 412 CO -0.04 0.36 -0.06 -0.51 -1.57 0.00 0.00 175.55 173.73 3maq s ASP 413 N -3.82 4.55 -0.05 2.29 1.01 -1.26 -0.38 116.67 119.01 3maq s ASP 413 Ca 0.37 -0.40 -0.04 0.00 0.71 0.00 0.00 52.55 53.20 3maq s ASP 413 Cb -0.01 -0.91 0.01 0.00 1.01 0.00 0.00 42.92 43.01 3maq s ASP 413 CO 0.22 0.14 0.06 -1.20 0.21 0.00 0.00 175.17 174.60 3maq n SER 414 N 0.34 -6.52 -4.24 0.27 7.64 -0.45 -4.61 113.62 106.05 3maq n SER 414 Ca -0.12 0.39 -0.31 0.00 1.01 0.00 0.00 58.87 59.84 3maq n SER 414 Cb 0.54 -1.72 -0.17 0.00 -1.01 0.00 0.00 64.21 61.85 3maq n SER 414 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3maq s VAL 415 N -1.07 2.00 -0.01 0.44 1.01 0.53 -2.09 120.40 121.22 3maq s VAL 415 Ca 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3maq s VAL 415 Cb -0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3maq s VAL 415 CO 0.11 0.55 0.05 -0.76 0.00 0.00 0.00 175.10 175.05 3maq s LEU 416 N 0.03 3.75 -0.19 3.92 1.43 0.40 0.02 118.68 128.05 3maq s LEU 416 Ca -0.09 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3maq s LEU 416 Cb -0.15 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.92 3maq s LEU 416 CO 0.05 0.28 -0.12 -0.69 0.23 0.00 0.00 176.35 176.10 3maq s VAL 417 N -1.14 2.75 -0.13 -1.59 1.01 0.09 -0.39 120.40 121.00 3maq s VAL 417 Ca 0.21 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3maq s VAL 417 Cb -0.12 -2.21 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 3maq s VAL 417 CO 0.12 0.48 -0.18 -0.76 0.00 0.00 0.00 175.10 174.76 3maq s LEU 418 N 1.27 2.39 -0.04 3.92 1.43 -0.23 -1.46 118.68 125.96 3maq s LEU 418 Ca 0.03 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3maq s LEU 418 Cb -0.14 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.58 3maq s LEU 418 CO -0.06 0.13 -0.04 -0.62 0.23 0.00 0.00 176.35 175.98 3maq s ASP 419 N 0.55 0.88 0.37 2.29 2.15 -0.64 -0.16 116.67 122.10 3maq s ASP 419 Ca -0.11 -0.12 -0.27 0.00 0.43 0.00 0.00 52.55 52.48 3maq s ASP 419 Cb -0.16 -0.42 -0.09 0.00 -0.30 0.00 0.00 42.92 41.95 3maq s ASP 419 CO 0.04 -0.05 1.26 -0.31 -0.17 0.00 0.00 175.17 175.94 3maq s TYR 420 N 0.85 3.01 -0.31 -5.34 2.02 -0.52 -1.72 117.35 115.34 3maq s TYR 420 Ca -0.11 1.46 -0.29 0.00 -0.37 0.00 0.00 57.07 57.76 3maq s TYR 420 Cb -0.14 -3.59 0.01 0.00 -0.40 0.00 0.00 41.96 37.84 3maq s TYR 420 CO 0.00 -1.73 1.14 0.21 -1.57 0.00 0.00 175.55 173.60 3maq s LYS 421 N -2.02 4.04 -1.17 -0.62 2.20 -0.18 -4.03 119.74 117.96 3maq s LYS 421 Ca 0.53 1.14 -0.29 0.00 -0.36 0.00 0.00 55.97 56.99 3maq s LYS 421 Cb -0.37 -3.77 0.03 0.00 -1.51 0.00 0.00 37.83 32.21 3maq s LYS 421 CO 0.48 -0.94 0.72 0.43 -0.36 0.00 0.00 175.35 175.68 3maq n SER 422 N 7.03 -4.62 0.10 1.43 7.64 -1.26 -4.69 113.62 119.25 3maq n SER 422 Ca 0.13 -1.19 -0.13 0.00 1.01 0.00 0.00 58.87 58.69 3maq n SER 422 Cb 0.47 -2.30 -0.06 0.00 -1.01 0.00 0.00 64.21 61.31 3maq n SER 422 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3maq h LEU 423 N -2.30 -1.00 -0.98 -3.43 5.85 -1.95 0.24 115.31 111.74 3maq h LEU 423 Ca -0.69 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.13 3maq h LEU 423 Cb 1.39 0.38 -0.04 0.00 0.37 0.00 0.00 40.66 42.76 3maq h LEU 423 CO 0.50 -0.42 0.47 1.88 -0.34 0.00 0.00 178.44 180.53 3maq h TYR 424 N -0.54 1.17 -0.40 1.25 -1.99 -1.96 0.12 116.97 114.61 3maq h TYR 424 Ca 0.04 -0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.68 3maq h TYR 424 Cb 0.59 -0.37 -0.02 0.00 2.00 0.00 0.00 36.73 38.93 3maq h TYR 424 CO -0.32 0.81 -0.04 -1.35 -0.00 0.00 0.00 178.16 177.26 3maq h PRO 425 N 1.19 0.66 0.00 4.88 0.11 -1.80 -2.17 132.00 134.88 3maq h PRO 425 Ca 0.30 -0.17 -0.11 0.00 0.11 0.00 0.00 66.00 66.13 3maq h PRO 425 Cb 0.02 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 3maq h PRO 425 CO -0.05 0.70 -0.53 0.66 -0.21 0.00 0.00 178.00 178.58 3maq h SER 426 N 0.62 0.00 -0.11 -2.05 4.64 0.11 -2.30 113.55 114.45 3maq h SER 426 Ca 0.12 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.28 3maq h SER 426 Cb 0.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3maq h SER 426 CO 0.02 0.53 -0.48 0.40 -0.87 0.00 0.00 176.83 176.43 3maq h ILE 427 N 0.00 1.30 -0.63 0.95 2.04 -0.42 -1.06 117.51 119.70 3maq h ILE 427 Ca -0.01 -1.68 -0.06 0.00 1.00 0.00 0.00 64.86 64.12 3maq h ILE 427 Cb 1.04 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 3maq h ILE 427 CO 0.07 0.54 0.17 0.40 0.00 0.00 0.00 178.15 179.33 3maq h ILE 428 N 0.53 1.25 -0.22 -0.67 2.04 -1.16 0.80 117.51 120.09 3maq h ILE 428 Ca 0.03 -0.88 -0.07 0.00 1.00 0.00 0.00 64.86 64.94 3maq h ILE 428 Cb 1.03 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3maq h ILE 428 CO 0.10 0.33 -0.13 0.03 0.00 0.00 0.00 178.15 178.48 3maq h ARG 429 N 0.91 0.48 -0.05 2.37 3.08 -1.26 -2.06 114.38 117.85 3maq h ARG 429 Ca 0.20 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3maq h ARG 429 Cb 0.32 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3maq h ARG 429 CO -0.00 0.77 -0.12 1.15 -1.07 0.00 0.00 179.97 180.69 3maq h THR 430 N 0.18 1.44 -0.59 2.04 2.02 -1.14 -3.33 112.91 113.53 3maq h THR 430 Ca 0.05 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.73 3maq h THR 430 Cb 0.64 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 3maq h THR 430 CO 0.04 0.41 0.00 0.49 0.37 0.00 0.00 175.52 176.83 3maq n PHE 431 N -4.64 1.14 -3.97 3.16 3.72 0.27 -4.54 117.46 112.60 3maq n PHE 431 Ca -0.08 -0.48 -0.31 0.00 -0.05 0.00 0.00 57.45 56.53 3maq n PHE 431 Cb 0.38 -0.14 0.01 0.00 -0.94 0.00 0.00 39.48 38.79 3maq n PHE 431 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3maq n LEU 432 N 1.09 -2.39 -4.70 4.37 4.77 -0.79 -4.91 117.00 114.44 3maq n LEU 432 Ca 0.22 -0.85 -0.42 0.00 -0.03 0.00 0.00 56.01 54.93 3maq n LEU 432 Cb 0.70 -2.44 -0.03 0.00 -2.33 0.00 0.00 43.42 39.32 3maq n LEU 432 CO 0.19 0.42 0.98 -0.63 -1.33 0.00 0.00 177.39 177.02 3maq s ILE 433 N -3.36 3.87 -0.22 -0.08 1.01 -1.10 -4.76 121.20 116.56 3maq s ILE 433 Ca 0.59 1.31 -0.27 0.00 0.00 0.00 0.00 60.65 62.28 3maq s ILE 433 Cb -0.30 -3.84 0.11 0.00 0.01 0.00 0.00 42.46 38.44 3maq s ILE 433 CO 0.85 0.06 0.95 -0.62 0.00 0.00 0.00 174.94 176.19 3maq s ASP 434 N 1.33 -0.48 0.07 3.58 2.15 -1.26 -4.47 116.67 117.58 3maq s ASP 434 Ca 0.60 0.79 -0.20 0.00 0.43 0.00 0.00 52.55 54.18 3maq s ASP 434 Cb -0.30 0.76 -0.10 0.00 -0.30 0.00 0.00 42.92 42.97 3maq s ASP 434 CO 0.27 -0.26 1.49 -0.65 -0.17 0.00 0.00 175.17 175.86 3maq h PRO 435 N 3.72 0.35 -0.47 4.34 0.11 -1.93 0.11 132.00 138.24 3maq h PRO 435 Ca -0.25 -0.12 -0.13 0.00 0.11 0.00 0.00 66.00 65.61 3maq h PRO 435 Cb 1.17 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3maq h PRO 435 CO 0.18 0.57 -0.22 0.28 -0.21 0.00 0.00 178.00 178.60 3maq h VAL 436 N 0.10 1.27 -0.88 3.15 2.07 -1.97 -2.88 116.25 117.12 3maq h VAL 436 Ca 0.05 -1.38 0.05 0.00 0.82 0.00 0.00 66.70 66.25 3maq h VAL 436 Cb 0.41 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 3maq h VAL 436 CO 0.01 0.47 0.57 1.23 0.02 0.00 0.00 177.57 179.88 3maq h GLY 437 N 0.89 1.26 1.35 2.17 0.00 -1.59 -0.95 103.07 106.20 3maq h GLY 437 Ca 0.11 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 3maq h GLY 437 CO 0.07 0.32 -0.19 -2.00 0.00 0.00 0.00 176.54 174.74 3maq h LEU 438 N 1.03 0.76 -0.19 3.11 5.85 -0.58 0.71 115.31 125.99 3maq h LEU 438 Ca 0.36 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3maq h LEU 438 Cb 0.13 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3maq h LEU 438 CO -0.12 0.94 -0.00 0.58 -0.34 0.00 0.00 178.44 179.49 3maq h VAL 439 N 0.66 1.26 -0.27 1.05 2.07 -1.16 -0.88 116.25 118.99 3maq h VAL 439 Ca 0.10 -0.88 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 3maq h VAL 439 Cb 0.69 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 3maq h VAL 439 CO 0.05 0.27 -0.31 -0.33 0.02 0.00 0.00 177.57 177.27 3maq h GLU 440 N 0.09 0.55 -0.43 1.57 4.39 -1.03 -2.88 114.58 116.84 3maq h GLU 440 Ca 0.05 -0.24 -0.08 0.00 0.34 0.00 0.00 59.36 59.44 3maq h GLU 440 Cb 0.40 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 3maq h GLU 440 CO 0.01 0.79 -0.04 0.78 -1.16 0.00 0.00 179.01 179.40 3maq h GLY 441 N 1.04 0.84 1.92 -3.84 0.00 0.59 -2.84 103.07 100.78 3maq h GLY 441 Ca 0.06 -0.65 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 3maq h GLY 441 CO 0.06 0.60 -0.22 -0.33 0.00 0.00 0.00 176.54 176.64 3maq h MET 442 N 0.61 0.10 -0.06 4.80 2.86 -1.13 -1.83 114.93 120.28 3maq h MET 442 Ca 0.12 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.60 3maq h MET 442 Cb 0.54 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 3maq h MET 442 CO 0.03 0.32 -0.54 0.00 1.06 0.00 0.00 176.91 177.78 3maq h ALA 443 N 1.69 0.98 -2.07 6.32 0.00 -1.38 -3.35 119.26 121.44 3maq h ALA 443 Ca 0.02 -0.50 -0.57 0.00 0.00 0.00 0.00 54.91 53.86 3maq h ALA 443 Cb 0.45 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 17.75 3maq h ALA 443 CO 0.03 0.68 -0.93 1.04 0.00 0.00 0.00 179.25 180.07 3maq n GLN 444 N -3.92 1.43 -1.33 0.00 6.02 -0.84 -5.04 117.38 113.71 3maq n GLN 444 Ca -0.02 -3.77 -0.39 0.00 -0.01 0.00 0.00 57.00 52.81 3maq n GLN 444 Cb 0.57 -1.63 -0.03 0.00 1.02 0.00 0.00 30.24 30.17 3maq n GLN 444 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3maq n PRO 445 N 1.05 2.41 -3.87 -1.09 -0.04 -0.75 -4.14 135.00 128.56 3maq n PRO 445 Ca 0.25 -2.12 -0.11 0.00 -0.04 0.00 0.00 63.50 61.47 3maq n PRO 445 Cb 0.50 -2.97 -0.11 0.00 -0.04 0.00 0.00 33.50 30.88 3maq n PRO 445 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3maq s ASP 446 N 3.69 0.00 0.64 3.54 1.47 -1.26 -5.04 116.67 119.72 3maq s ASP 446 Ca 0.53 -0.12 0.27 0.00 1.18 0.00 0.00 52.55 54.40 3maq s ASP 446 Cb 0.14 0.22 1.41 0.00 -0.34 0.00 0.00 42.92 44.35 3maq s ASP 446 CO -0.01 -0.30 1.80 1.55 0.68 0.00 0.00 175.17 178.90 3maq h PRO 447 N 4.65 0.00 -0.16 2.11 0.13 -1.88 0.64 132.00 137.48 3maq h PRO 447 Ca -0.30 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.71 3maq h PRO 447 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3maq h PRO 447 CO 0.41 0.00 -0.38 1.49 -0.23 0.00 0.00 178.00 179.29 3maq h GLU 448 N 0.00 0.54 0.00 0.86 4.81 -1.96 -3.34 114.58 115.48 3maq h GLU 448 Ca 0.07 -0.37 -0.17 0.00 -0.13 0.00 0.00 59.36 58.77 3maq h GLU 448 Cb 0.99 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 3maq h GLU 448 CO -0.00 0.98 -2.07 0.72 -0.73 0.00 0.00 179.01 177.91 3maq n HIS 449 N -4.30 0.13 -4.29 0.92 8.25 -0.87 -4.96 115.22 110.10 3maq n HIS 449 Ca -0.07 0.04 -0.15 0.00 -0.26 0.00 0.00 57.72 57.28 3maq n HIS 449 Cb 0.52 -0.78 -0.10 0.00 1.12 0.00 0.00 29.99 30.75 3maq n HIS 449 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3maq s SER 450 N -5.07 1.20 -0.08 0.41 0.01 0.16 -0.98 113.70 109.36 3maq s SER 450 Ca -0.08 -1.31 0.04 0.00 1.31 0.00 0.00 55.95 55.91 3maq s SER 450 Cb 0.10 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.48 3maq s SER 450 CO 0.86 -0.67 -0.19 0.28 0.41 0.00 0.00 173.24 173.93 3maq s THR 451 N -3.72 1.67 0.28 1.44 -1.32 1.00 -3.85 115.64 111.13 3maq s THR 451 Ca 0.33 -0.81 -0.29 0.00 -1.21 0.00 0.00 61.69 59.71 3maq s THR 451 Cb 0.07 -1.46 -0.10 0.00 -1.51 0.00 0.00 72.50 69.51 3maq s THR 451 CO 0.10 0.47 1.24 -0.70 -2.21 0.00 0.00 174.62 173.53 3maq s GLU 452 N 0.34 4.45 0.00 7.08 2.12 -1.26 -0.20 118.70 131.23 3maq s GLU 452 Ca -0.14 2.04 0.00 0.00 0.36 0.00 0.00 54.97 57.24 3maq s GLU 452 Cb -0.16 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.09 3maq s GLU 452 CO 0.06 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 3maq n GLY 453 N 1.38 4.07 3.67 -1.50 0.00 0.15 -4.91 105.19 108.06 3maq n GLY 453 Ca 0.01 -1.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.06 3maq n GLY 453 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3maq s PHE 454 N 3.48 2.59 -1.64 1.61 0.08 -1.26 -4.53 117.98 118.31 3maq s PHE 454 Ca 0.00 -0.47 -0.02 0.00 0.12 0.00 0.00 56.93 56.56 3maq s PHE 454 Cb 0.00 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.83 3maq s PHE 454 CO 0.00 0.39 0.25 1.28 -0.10 0.00 0.00 175.22 177.04 3maq n LEU 455 N -1.05 -2.16 -0.29 -0.37 4.77 -1.26 -1.57 117.00 115.08 3maq n LEU 455 Ca -0.03 -0.12 -0.04 0.00 -0.03 0.00 0.00 56.01 55.79 3maq n LEU 455 Cb 0.63 -2.88 -0.02 0.00 -2.33 0.00 0.00 43.42 38.82 3maq n LEU 455 CO 0.44 -0.03 -0.04 0.47 -1.33 0.00 0.00 177.39 176.90 3maq n ASP 456 N -2.21 -4.10 -4.79 -1.43 8.00 -1.26 -4.99 116.55 105.78 3maq n ASP 456 Ca -0.18 0.09 -0.36 0.00 0.71 0.00 0.00 54.79 55.05 3maq n ASP 456 Cb 0.65 -1.93 -0.04 0.00 -0.02 0.00 0.00 41.12 39.78 3maq n ASP 456 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3maq s ALA 457 N -1.92 3.03 0.02 2.24 0.00 -0.61 -4.92 121.76 119.60 3maq s ALA 457 Ca 0.00 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.64 3maq s ALA 457 Cb 0.00 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 3maq s ALA 457 CO 0.00 -0.20 -0.10 -1.58 0.00 0.00 0.00 175.76 173.88 3maq s TRP 458 N -1.78 0.88 -0.08 0.00 0.52 -1.26 0.30 118.94 117.52 3maq s TRP 458 Ca 0.60 -0.31 0.04 0.00 0.02 0.00 0.00 56.10 56.45 3maq s TRP 458 Cb -0.19 -0.53 0.00 0.00 -1.15 0.00 0.00 33.47 31.60 3maq s TRP 458 CO 0.24 -0.01 -0.19 -0.06 0.02 0.00 0.00 176.95 176.95 3maq s PHE 459 N -0.74 2.06 0.26 -1.98 0.08 0.71 -3.86 117.98 114.51 3maq s PHE 459 Ca -0.01 -0.76 -0.31 0.00 0.12 0.00 0.00 56.93 55.97 3maq s PHE 459 Cb -0.07 -1.40 -0.12 0.00 -0.57 0.00 0.00 43.02 40.86 3maq s PHE 459 CO 0.00 -0.31 1.65 0.45 -0.10 0.00 0.00 175.22 176.91 3maq n SER 460 N 3.49 3.91 0.09 1.36 2.88 -0.98 -0.00 113.62 124.37 3maq n SER 460 Ca -0.20 1.11 -0.06 0.00 -1.33 0.00 0.00 58.87 58.40 3maq n SER 460 Cb 0.52 -1.58 0.01 0.00 -0.75 0.00 0.00 64.21 62.41 3maq n SER 460 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3maq h ARG 461 N 5.64 0.06 0.00 -1.46 3.08 -1.39 -3.37 114.38 116.92 3maq h ARG 461 Ca -0.45 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.44 3maq h ARG 461 Cb 1.22 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 3maq h ARG 461 CO 0.86 0.86 -1.88 0.39 -1.07 0.00 0.00 179.97 179.13 3maq n GLU 462 N -3.59 0.80 -3.88 0.04 -0.58 -1.26 -4.88 120.64 107.29 3maq n GLU 462 Ca -0.01 -0.11 -0.33 0.00 -0.42 0.00 0.00 57.16 56.29 3maq n GLU 462 Cb 0.79 -1.41 -0.13 0.00 -0.57 0.00 0.00 31.44 30.13 3maq n GLU 462 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3maq s LYS 463 N -2.93 2.04 0.18 3.49 2.47 -1.26 -5.05 119.74 118.67 3maq s LYS 463 Ca -0.07 -2.36 -0.12 0.00 -1.56 0.00 0.00 55.97 51.87 3maq s LYS 463 Cb 0.09 -3.44 0.00 0.00 -1.46 0.00 0.00 37.83 33.02 3maq s LYS 463 CO 0.69 -1.09 0.36 -3.38 0.16 0.00 0.00 175.35 172.10 3maq s HIS 464 N 0.18 0.25 0.00 4.03 -3.43 -1.26 -3.66 115.29 111.40 3maq s HIS 464 Ca 0.15 -0.61 0.00 0.00 -0.80 0.00 0.00 55.06 53.80 3maq s HIS 464 Cb -0.23 0.08 0.00 0.00 -1.43 0.00 0.00 32.58 31.01 3maq s HIS 464 CO -0.03 -0.79 0.00 0.00 -2.00 0.00 0.00 174.74 171.92 3maq h LEU 466 N 0.00 0.62 -0.74 0.00 5.85 -1.97 -3.00 115.31 116.06 3maq h LEU 466 Ca 0.00 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3maq h LEU 466 Cb 0.84 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 3maq h LEU 466 CO 0.00 0.57 0.48 -0.65 -0.34 0.00 0.00 178.44 178.49 3maq h PRO 467 N 0.68 0.92 -0.49 5.25 0.11 -1.81 -0.74 132.00 135.91 3maq h PRO 467 Ca 0.16 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 3maq h PRO 467 Cb 0.15 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 3maq h PRO 467 CO -0.01 0.61 0.18 0.93 -0.21 0.00 0.00 178.00 179.49 3maq h GLU 468 N 0.94 0.74 -0.46 1.05 3.07 -1.87 -0.29 114.58 117.76 3maq h GLU 468 Ca 0.29 -0.14 -0.07 0.00 -0.50 0.00 0.00 59.36 58.94 3maq h GLU 468 Cb -0.02 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.75 3maq h GLU 468 CO -0.09 0.68 0.02 0.82 -1.40 0.00 0.00 179.01 179.04 3maq h ILE 469 N 0.65 1.26 -0.75 3.13 2.04 -1.37 -1.64 117.51 120.83 3maq h ILE 469 Ca 0.16 -1.01 -0.05 0.00 1.00 0.00 0.00 64.86 64.97 3maq h ILE 469 Cb 0.22 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3maq h ILE 469 CO -0.01 0.35 0.29 0.58 0.00 0.00 0.00 178.15 179.36 3maq h VAL 470 N 0.65 1.26 -0.79 1.67 2.07 -1.00 -2.13 116.25 117.98 3maq h VAL 470 Ca 0.13 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 3maq h VAL 470 Cb 0.47 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3maq h VAL 470 CO 0.02 0.33 0.31 0.74 0.02 0.00 0.00 177.57 178.99 3maq h THR 471 N 1.09 1.26 -0.60 2.57 2.02 -0.77 -0.64 112.91 117.84 3maq h THR 471 Ca 0.25 -0.84 -0.09 0.00 0.77 0.00 0.00 66.41 66.50 3maq h THR 471 Cb 0.23 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 3maq h THR 471 CO -0.02 0.34 0.03 -1.13 0.37 0.00 0.00 175.52 175.11 3maq h ASN 472 N 1.16 1.00 0.14 4.18 -1.24 -1.02 -2.61 115.58 117.19 3maq h ASN 472 Ca 0.26 -0.26 -0.12 0.00 0.71 0.00 0.00 56.30 56.89 3maq h ASN 472 Cb 0.23 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 3maq h ASN 472 CO -0.02 1.03 -0.44 0.40 -1.29 0.00 0.00 177.43 177.11 3maq h ILE 473 N 0.95 1.32 -0.98 2.57 2.04 -1.06 -2.79 117.51 119.55 3maq h ILE 473 Ca 0.18 -1.61 0.02 0.00 1.00 0.00 0.00 64.86 64.44 3maq h ILE 473 Cb 0.51 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 3maq h ILE 473 CO 0.02 0.49 0.65 -0.25 0.00 0.00 0.00 178.15 179.06 3maq h TRP 474 N 0.30 1.23 0.00 1.37 2.91 -0.79 0.18 115.95 121.15 3maq h TRP 474 Ca 0.02 0.03 -0.07 0.00 1.13 0.00 0.00 58.89 60.01 3maq h TRP 474 Cb 0.90 -0.41 -0.01 0.00 -0.51 0.00 0.00 29.16 29.13 3maq h TRP 474 CO 0.02 0.75 -0.31 0.45 -1.03 0.00 0.00 178.44 178.32 3maq h HIS 475 N 1.30 0.00 -0.10 2.65 3.86 -1.27 0.40 115.15 121.99 3maq h HIS 475 Ca 0.37 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.36 3maq h HIS 475 Cb -0.09 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.39 3maq h HIS 475 CO -0.00 0.31 -0.80 0.78 0.86 0.00 0.00 177.93 179.08 3maq h GLY 476 N 1.38 0.80 1.86 2.45 0.00 -0.61 -2.03 103.07 106.92 3maq h GLY 476 Ca -0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 47.33 46.03 3maq h GLY 476 CO 0.04 1.07 -0.33 -0.09 0.00 0.00 0.00 176.54 177.24 3maq h ARG 477 N 0.43 0.16 -0.57 4.80 2.43 -0.23 -2.01 114.38 119.39 3maq h ARG 477 Ca -0.07 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.92 3maq h ARG 477 Cb 1.45 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.97 3maq h ARG 477 CO 0.16 0.48 -0.08 -0.44 -1.51 0.00 0.00 179.97 178.58 3maq h ASP 478 N 0.15 1.05 -0.15 -3.80 5.19 -0.82 -2.34 116.42 115.69 3maq h ASP 478 Ca 0.02 -0.34 -0.15 0.00 -0.62 0.00 0.00 57.03 55.93 3maq h ASP 478 Cb 0.66 -0.29 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 3maq h ASP 478 CO 0.05 1.14 -0.45 -0.08 -3.12 0.00 0.00 179.24 176.78 3maq h GLU 479 N 0.94 0.71 -0.45 3.56 4.57 -1.10 -1.25 114.58 121.56 3maq h GLU 479 Ca 0.15 -0.40 -0.06 0.00 -1.18 0.00 0.00 59.36 57.87 3maq h GLU 479 Cb 0.65 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 3maq h GLU 479 CO 0.05 1.01 0.02 0.00 -1.18 0.00 0.00 179.01 178.91 3maq h ALA 480 N 0.92 1.20 -0.34 2.92 0.00 -1.24 0.45 119.26 123.17 3maq h ALA 480 Ca 0.04 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 3maq h ALA 480 Cb 1.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3maq h ALA 480 CO 0.09 0.53 -0.29 0.87 0.00 0.00 0.00 179.25 180.46 3maq h LYS 481 N 0.68 0.80 -0.27 0.00 1.57 -1.30 0.82 116.57 118.87 3maq h LYS 481 Ca 0.14 -0.40 0.03 0.00 -1.87 0.00 0.00 60.65 58.55 3maq h LYS 481 Cb 0.39 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3maq h LYS 481 CO 0.01 1.03 0.18 -0.09 -0.57 0.00 0.00 179.45 180.02 3maq h ARG 482 N 0.58 0.24 0.00 3.15 2.43 -0.44 -2.07 114.38 118.27 3maq h ARG 482 Ca 0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3maq h ARG 482 Cb 0.86 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3maq h ARG 482 CO 0.07 0.16 -0.61 1.04 -1.51 0.00 0.00 179.97 179.12 3maq n GLN 483 N -4.49 0.05 -0.65 0.20 6.02 0.07 -4.95 117.38 113.63 3maq n GLN 483 Ca 0.02 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3maq n GLN 483 Cb 0.17 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.90 3maq n GLN 483 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3maq n GLY 484 N 1.47 0.69 3.51 1.08 0.00 -0.65 -4.98 105.19 106.32 3maq n GLY 484 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3maq n GLY 484 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3maq s ASN 485 N -2.11 6.57 0.08 1.61 3.84 0.19 -4.85 114.94 120.28 3maq s ASN 485 Ca 0.00 -1.75 -0.17 0.00 0.21 0.00 0.00 52.86 51.15 3maq s ASN 485 Cb 0.00 -2.50 -0.10 0.00 -0.55 0.00 0.00 41.25 38.11 3maq s ASN 485 CO 0.00 -1.30 1.42 0.11 -2.79 0.00 0.00 177.10 174.54 3maq h LYS 486 N 9.29 0.56 -0.89 0.43 1.57 -1.94 -2.02 116.57 123.56 3maq h LYS 486 Ca 0.19 -0.26 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3maq h LYS 486 Cb 1.01 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.26 3maq h LYS 486 CO 1.29 0.84 0.58 -1.35 -0.57 0.00 0.00 179.45 180.24 3maq h PRO 487 N 0.28 1.11 -0.38 3.15 0.11 -1.88 -0.94 132.00 133.44 3maq h PRO 487 Ca 0.05 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 3maq h PRO 487 Cb 0.70 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3maq h PRO 487 CO 0.05 0.73 -0.22 1.25 -0.21 0.00 0.00 178.00 179.60 3maq h LEU 488 N 1.14 0.76 -0.41 2.35 5.85 -1.91 -1.24 115.31 121.86 3maq h LEU 488 Ca 0.35 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3maq h LEU 488 Cb -0.03 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3maq h LEU 488 CO -0.11 0.96 0.16 -1.28 -0.34 0.00 0.00 178.44 177.83 3maq h SER 489 N 0.65 0.57 -0.65 1.25 0.87 -0.88 -1.19 113.55 114.16 3maq h SER 489 Ca 0.09 -0.17 -0.07 0.00 -1.23 0.00 0.00 61.79 60.41 3maq h SER 489 Cb 0.72 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 3maq h SER 489 CO 0.06 0.59 0.14 -0.61 -0.53 0.00 0.00 176.83 176.47 3maq h GLN 490 N 0.51 1.07 -0.53 2.24 5.75 -1.04 -1.29 115.11 121.83 3maq h GLN 490 Ca 0.13 -0.26 -0.09 0.00 -0.15 0.00 0.00 58.65 58.28 3maq h GLN 490 Cb 0.20 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 3maq h GLN 490 CO -0.01 0.96 -0.04 0.00 -2.65 0.00 0.00 178.83 177.09 3maq h ALA 491 N 1.13 0.71 -0.04 3.38 0.00 -1.05 -0.39 119.26 123.01 3maq h ALA 491 Ca 0.21 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 3maq h ALA 491 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3maq h ALA 491 CO 0.01 0.57 -0.57 -0.07 0.00 0.00 0.00 179.25 179.18 3maq h LEU 492 N 0.82 0.13 -0.19 0.00 4.07 -1.03 -0.01 115.31 119.11 3maq h LEU 492 Ca 0.14 -0.07 -0.11 0.00 0.08 0.00 0.00 57.88 57.92 3maq h LEU 492 Cb 0.58 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.29 3maq h LEU 492 CO 0.03 0.67 -0.33 0.50 -1.08 0.00 0.00 178.44 178.24 3maq h LYS 493 N 0.09 0.55 -0.39 1.13 3.64 -1.04 -1.95 116.57 118.60 3maq h LYS 493 Ca -0.00 -0.34 -0.10 0.00 -1.27 0.00 0.00 60.65 58.93 3maq h LYS 493 Cb 1.03 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 3maq h LYS 493 CO 0.08 0.95 -0.18 0.82 -2.27 0.00 0.00 179.45 178.85 3maq h ILE 494 N 0.21 1.26 -0.51 2.00 2.04 -0.98 -1.06 117.51 120.47 3maq h ILE 494 Ca 0.01 -1.26 -0.03 0.00 1.00 0.00 0.00 64.86 64.58 3maq h ILE 494 Cb 0.92 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 3maq h ILE 494 CO 0.07 0.42 0.18 0.40 0.00 0.00 0.00 178.15 179.23 3maq h ILE 495 N 0.65 1.19 -0.12 -0.67 2.04 -0.91 0.39 117.51 120.08 3maq h ILE 495 Ca 0.10 -0.63 -0.23 0.00 1.00 0.00 0.00 64.86 65.10 3maq h ILE 495 Cb 0.67 0.61 0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3maq h ILE 495 CO 0.05 0.24 -0.82 0.24 0.00 0.00 0.00 178.15 177.86 3maq h MET 496 N 0.73 0.77 0.00 2.37 2.86 -0.94 -2.90 114.93 117.82 3maq h MET 496 Ca 0.17 -0.67 -0.08 0.00 -2.06 0.00 0.00 59.70 57.06 3maq h MET 496 Cb 0.18 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3maq h MET 496 CO -0.01 1.27 -0.40 -0.91 1.06 0.00 0.00 176.91 177.92 3maq h ASN 497 N 0.50 0.00 1.08 1.22 2.35 -0.88 -1.65 115.58 118.19 3maq h ASN 497 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3maq h ASN 497 Cb 1.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.83 3maq h ASN 497 CO 0.17 0.40 0.00 0.00 -1.65 0.00 0.00 177.43 176.35 3maq h ALA 498 N 1.60 1.00 -0.42 -0.83 0.00 -0.13 -1.52 119.26 118.96 3maq h ALA 498 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3maq h ALA 498 Cb 0.78 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3maq h ALA 498 CO 0.05 0.00 -0.30 0.74 0.00 0.00 0.00 179.25 179.74 3maq h PHE 499 N 0.00 1.09 -0.35 0.00 0.04 -1.09 -0.15 116.94 116.48 3maq h PHE 499 Ca 0.00 -0.29 -0.10 0.00 2.80 0.00 0.00 57.97 60.38 3maq h PHE 499 Cb 0.54 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 3maq h PHE 499 CO 0.00 1.11 -0.16 -0.92 -0.60 0.00 0.00 178.31 177.74 3maq h TYR 500 N 0.79 0.82 -0.30 -0.55 3.20 -1.42 -3.24 116.97 116.27 3maq h TYR 500 Ca 0.09 -0.20 0.02 0.00 3.14 0.00 0.00 58.73 61.78 3maq h TYR 500 Cb 0.87 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 3maq h TYR 500 CO 0.05 0.91 0.13 0.78 -1.64 0.00 0.00 178.16 178.40 3maq h GLY 501 N 0.50 0.39 2.00 1.82 0.00 -0.98 -2.51 103.07 104.29 3maq h GLY 501 Ca 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3maq h GLY 501 CO 0.05 0.06 -0.10 -0.39 0.00 0.00 0.00 176.54 176.16 3maq h VAL 502 N 0.28 0.84 0.00 4.60 -1.51 -1.10 -1.80 116.25 117.56 3maq h VAL 502 Ca 0.13 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 3maq h VAL 502 Cb 0.06 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 3maq h VAL 502 CO -0.10 0.10 0.00 0.18 -1.23 0.00 0.00 177.57 176.51 3maq n LEU 503 N -4.08 0.70 -1.00 4.19 4.77 -0.95 -2.43 117.00 118.20 3maq n LEU 503 Ca -0.02 0.67 0.08 0.00 -0.03 0.00 0.00 56.01 56.70 3maq n LEU 503 Cb 0.19 -0.58 0.25 0.00 -2.33 0.00 0.00 43.42 40.95 3maq n LEU 503 CO 0.32 -0.57 0.71 0.61 -1.33 0.00 0.00 177.39 177.13 3maq n GLY 504 N 0.01 3.14 3.18 -0.72 0.00 -0.68 -2.24 105.19 107.89 3maq n GLY 504 Ca 0.02 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 3maq n GLY 504 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3maq s THR 505 N -1.79 1.49 -0.61 2.61 -1.32 -1.02 -4.96 115.64 110.04 3maq s THR 505 Ca 0.37 -0.80 0.18 0.00 -1.21 0.00 0.00 61.69 60.24 3maq s THR 505 Cb 0.25 -1.24 0.18 0.00 -1.51 0.00 0.00 72.50 70.18 3maq s THR 505 CO 0.17 0.42 1.56 0.35 -2.21 0.00 0.00 174.62 174.90 3maq n THR 506 N 2.67 1.06 0.37 5.08 -2.24 -1.26 -1.50 114.28 118.46 3maq n THR 506 Ca -0.15 0.37 0.13 0.00 -2.27 0.00 0.00 64.05 62.12 3maq n THR 506 Cb 0.53 -1.28 0.53 0.00 -2.10 0.00 0.00 70.33 68.01 3maq n THR 506 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3maq h ALA 507 N 2.23 1.00 -3.21 6.98 0.00 -1.95 -3.42 119.26 120.89 3maq h ALA 507 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 3maq h ALA 507 Cb 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.86 3maq h ALA 507 CO 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 179.25 178.67 3maq h ARG 509 N 5.95 0.00 -0.11 0.00 0.11 -1.85 -2.21 114.38 116.27 3maq h ARG 509 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 3maq h ARG 509 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 3maq h ARG 509 CO 0.63 0.01 0.00 1.19 0.10 0.00 0.00 179.97 181.89 3maq n PHE 510 N -3.11 0.13 -1.65 4.08 3.72 -1.26 -4.63 117.46 114.74 3maq n PHE 510 Ca -0.01 -0.06 -0.48 0.00 -0.05 0.00 0.00 57.45 56.85 3maq n PHE 510 Cb 0.22 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.71 3maq n PHE 510 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3maq n PHE 511 N 0.41 2.06 -3.64 1.38 7.35 -0.83 -4.90 117.46 119.28 3maq n PHE 511 Ca 0.17 0.37 -0.05 0.00 -0.76 0.00 0.00 57.45 57.18 3maq n PHE 511 Cb 0.38 -2.49 -0.06 0.00 0.35 0.00 0.00 39.48 37.66 3maq n PHE 511 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3maq s ASP 512 N 0.96 -1.02 0.47 -2.13 -1.08 -0.95 -4.71 116.67 108.20 3maq s ASP 512 Ca 0.81 1.54 0.18 0.00 -0.52 0.00 0.00 52.55 54.56 3maq s ASP 512 Cb -0.76 1.74 1.16 0.00 -1.46 0.00 0.00 42.92 43.60 3maq s ASP 512 CO 0.41 -0.23 1.98 -0.65 0.52 0.00 0.00 175.17 177.20 3maq h PRO 513 N 7.38 0.25 0.00 4.34 0.11 -1.87 -1.35 132.00 140.87 3maq h PRO 513 Ca -0.25 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 3maq h PRO 513 Cb 1.18 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3maq h PRO 513 CO 0.14 0.17 -0.22 0.00 -0.21 0.00 0.00 178.00 177.88 3maq h ARG 514 N 0.26 0.00 0.00 1.05 3.08 -1.94 -1.88 114.38 114.96 3maq h ARG 514 Ca 0.27 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 3maq h ARG 514 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3maq h ARG 514 CO -0.06 0.22 -0.05 -0.07 -1.07 0.00 0.00 179.97 178.94 3maq h LEU 515 N 0.00 0.04 -0.70 3.04 3.38 -1.57 -2.80 115.31 116.69 3maq h LEU 515 Ca -0.00 -0.80 -0.02 0.00 0.09 0.00 0.00 57.88 57.15 3maq h LEU 515 Cb 0.40 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3maq h LEU 515 CO 0.03 0.84 0.36 0.00 0.09 0.00 0.00 178.44 179.76 3maq h ALA 516 N 0.20 0.90 0.00 1.53 0.00 -1.47 -2.65 119.26 117.78 3maq h ALA 516 Ca -0.01 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3maq h ALA 516 Cb 0.85 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3maq h ALA 516 CO 0.01 0.44 -0.49 0.77 0.00 0.00 0.00 179.25 179.98 3maq h SER 517 N 0.97 0.00 0.64 0.00 0.02 -1.47 -1.59 113.55 112.12 3maq h SER 517 Ca 0.24 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.14 3maq h SER 517 Cb 0.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3maq h SER 517 CO -0.03 0.49 -0.27 0.28 -1.14 0.00 0.00 176.83 176.16 3maq h SER 518 N 0.00 0.00 0.00 3.07 0.02 -1.20 0.86 113.55 116.31 3maq h SER 518 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3maq h SER 518 Cb 0.90 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 3maq h SER 518 CO 0.06 0.27 -0.27 0.40 -1.14 0.00 0.00 176.83 176.15 3maq h ILE 519 N 0.00 0.90 -0.22 3.27 2.04 -1.18 -3.30 117.51 119.02 3maq h ILE 519 Ca -0.00 -1.76 -0.15 0.00 1.00 0.00 0.00 64.86 63.95 3maq h ILE 519 Cb 0.66 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 3maq h ILE 519 CO 0.03 0.30 -0.48 0.71 0.00 0.00 0.00 178.15 178.72 3maq h THR 520 N -1.00 1.31 0.00 -0.27 1.35 -1.23 -2.04 112.91 111.02 3maq h THR 520 Ca -0.06 -1.69 -0.09 0.00 -0.55 0.00 0.00 66.41 64.02 3maq h THR 520 Cb 0.69 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.76 3maq h THR 520 CO -0.04 0.53 -0.44 0.24 -0.25 0.00 0.00 175.52 175.56 3maq h MET 521 N 0.46 0.00 -0.18 4.72 2.86 -1.05 -1.90 114.93 119.85 3maq h MET 521 Ca 0.02 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.55 3maq h MET 521 Cb 1.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 3maq h MET 521 CO 0.09 0.44 -0.40 -0.09 1.06 0.00 0.00 176.91 178.02 3maq h ARG 522 N 0.00 0.41 -0.14 1.72 9.65 -1.58 -2.64 114.38 121.80 3maq h ARG 522 Ca -0.00 -0.20 -0.09 0.00 -1.10 0.00 0.00 59.98 58.58 3maq h ARG 522 Cb 0.93 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.50 3maq h ARG 522 CO 0.06 0.74 -0.34 0.78 2.80 0.00 0.00 179.97 184.01 3maq h GLY 523 N 1.13 0.29 1.01 2.80 0.00 -0.64 -1.41 103.07 106.26 3maq h GLY 523 Ca 0.03 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 3maq h GLY 523 CO 0.07 0.23 0.08 0.45 0.00 0.00 0.00 176.54 177.37 3maq h HIS 524 N 0.24 0.98 -0.39 5.60 3.86 -1.04 -1.38 115.15 123.02 3maq h HIS 524 Ca 0.03 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.05 3maq h HIS 524 Cb 0.71 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 3maq h HIS 524 CO 0.01 0.87 0.07 0.37 0.86 0.00 0.00 177.93 180.12 3maq h GLN 525 N 0.81 0.65 -0.43 2.45 4.15 -1.21 -2.20 115.11 119.32 3maq h GLN 525 Ca 0.16 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3maq h GLN 525 Cb 0.43 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 3maq h GLN 525 CO 0.01 0.69 0.21 0.82 -1.93 0.00 0.00 178.83 178.63 3maq h ILE 526 N 0.50 1.18 -0.66 2.39 2.04 -1.14 -1.22 117.51 120.61 3maq h ILE 526 Ca 0.12 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 3maq h ILE 526 Cb 0.36 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3maq h ILE 526 CO 0.01 0.19 0.32 -0.03 0.00 0.00 0.00 178.15 178.64 3maq h MET 527 N 0.55 0.94 -0.14 2.37 4.05 -1.19 0.23 114.93 121.74 3maq h MET 527 Ca 0.15 -0.13 -0.18 0.00 -0.28 0.00 0.00 59.70 59.26 3maq h MET 527 Cb 0.12 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 30.74 3maq h MET 527 CO -0.02 0.74 -0.64 0.00 0.23 0.00 0.00 176.91 177.22 3maq h ARG 528 N 0.90 0.53 -0.04 0.39 3.08 -1.26 -2.22 114.38 115.76 3maq h ARG 528 Ca 0.23 -0.38 -0.12 0.00 0.07 0.00 0.00 59.98 59.78 3maq h ARG 528 Cb 0.11 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3maq h ARG 528 CO -0.03 1.00 -0.53 0.37 -1.07 0.00 0.00 179.97 179.71 3maq h GLN 529 N 0.39 0.12 -0.39 0.04 5.75 -1.08 -1.91 115.11 118.02 3maq h GLN 529 Ca -0.01 -0.07 -0.10 0.00 -0.15 0.00 0.00 58.65 58.32 3maq h GLN 529 Cb 1.20 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 3maq h GLN 529 CO 0.12 0.62 -0.15 1.15 -2.65 0.00 0.00 178.83 177.91 3maq h THR 530 N 0.09 1.28 -0.79 2.39 2.02 -0.76 -1.51 112.91 115.63 3maq h THR 530 Ca -0.00 -1.27 -0.04 0.00 0.77 0.00 0.00 66.41 65.87 3maq h THR 530 Cb 0.97 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 68.61 3maq h THR 530 CO 0.08 0.42 0.36 0.50 0.37 0.00 0.00 175.52 177.24 3maq h LYS 531 N 0.60 1.15 -0.39 6.66 3.64 -1.21 -2.15 116.57 124.88 3maq h LYS 531 Ca 0.09 -0.18 -0.12 0.00 -1.27 0.00 0.00 60.65 59.17 3maq h LYS 531 Cb 0.69 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3maq h LYS 531 CO 0.05 0.91 -0.25 0.00 -2.27 0.00 0.00 179.45 177.88 3maq h ALA 532 N 1.25 0.81 -0.43 5.00 0.00 -1.12 -2.22 119.26 122.55 3maq h ALA 532 Ca 0.27 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3maq h ALA 532 Cb 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3maq h ALA 532 CO -0.03 0.65 -0.06 -0.07 0.00 0.00 0.00 179.25 179.73 3maq h LEU 533 N 0.70 0.72 -0.31 0.00 3.38 -0.98 -1.64 115.31 117.17 3maq h LEU 533 Ca 0.09 -0.19 -0.19 0.00 0.09 0.00 0.00 57.88 57.68 3maq h LEU 533 Cb 0.78 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3maq h LEU 533 CO 0.06 0.83 -0.61 0.40 0.09 0.00 0.00 178.44 179.21 3maq h ILE 534 N 0.68 1.29 0.00 1.22 2.04 -1.26 -2.79 117.51 118.69 3maq h ILE 534 Ca 0.13 -1.82 -0.08 0.00 1.00 0.00 0.00 64.86 64.09 3maq h ILE 534 Cb 0.51 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 3maq h ILE 534 CO 0.03 0.58 -0.38 -0.33 0.00 0.00 0.00 178.15 178.05 3maq h GLU 535 N 0.58 0.00 0.00 2.37 5.08 -1.29 -2.12 114.58 119.20 3maq h GLU 535 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3maq h GLU 535 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3maq h GLU 535 CO 0.13 0.38 -0.22 0.00 -1.00 0.00 0.00 179.01 178.30 3maq h ALA 536 N 1.62 0.98 -0.18 3.43 0.00 -1.14 -1.46 119.26 122.51 3maq h ALA 536 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3maq h ALA 536 Cb 0.77 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3maq h ALA 536 CO 0.05 0.28 0.00 1.04 0.00 0.00 0.00 179.25 180.62 3maq n GLN 537 N -3.33 1.58 -0.37 0.00 1.13 -0.81 -4.94 117.38 110.64 3maq n GLN 537 Ca 0.01 -0.88 0.00 0.00 -1.94 0.00 0.00 57.00 54.18 3maq n GLN 537 Cb 0.46 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.50 3maq n GLN 537 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3maq n GLY 538 N 1.01 0.81 3.52 1.08 0.00 -0.55 -5.09 105.19 105.97 3maq n GLY 538 Ca 0.13 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 3maq n GLY 538 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3maq s TYR 539 N -2.00 2.54 0.24 1.61 2.02 -1.13 -5.02 117.35 115.61 3maq s TYR 539 Ca 0.00 -0.26 -0.23 0.00 -0.37 0.00 0.00 57.07 56.21 3maq s TYR 539 Cb 0.00 -1.27 -0.09 0.00 -0.40 0.00 0.00 41.96 40.21 3maq s TYR 539 CO 0.00 0.48 0.80 -0.51 -1.57 0.00 0.00 175.55 174.76 3maq s ASP 540 N -2.65 7.24 -0.24 2.29 1.01 -1.23 -3.67 116.67 119.42 3maq s ASP 540 Ca 0.23 1.61 -0.04 0.00 0.71 0.00 0.00 52.55 55.06 3maq s ASP 540 Cb -0.09 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.35 3maq s ASP 540 CO 0.13 0.06 -0.02 -0.69 0.21 0.00 0.00 175.17 174.86 3maq s VAL 541 N -1.44 3.38 -0.22 -1.27 1.01 -1.26 -0.99 120.40 119.61 3maq s VAL 541 Ca 0.43 -0.67 0.22 0.00 0.00 0.00 0.00 61.98 61.96 3maq s VAL 541 Cb -0.19 -2.62 -0.32 0.00 0.00 0.00 0.00 36.38 33.25 3maq s VAL 541 CO 0.23 0.29 0.57 2.30 0.00 0.00 0.00 175.10 178.49 3maq n ILE 542 N 4.78 0.00 -3.62 2.22 -5.35 -0.50 -4.91 119.36 111.98 3maq n ILE 542 Ca -0.17 -0.40 -0.08 0.00 -0.27 0.00 0.00 62.75 61.83 3maq n ILE 542 Cb 0.49 0.19 -0.02 0.00 -1.74 0.00 0.00 39.64 38.56 3maq n ILE 542 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 3maq s TYR 543 N -3.42 -0.31 -0.25 4.28 5.04 -1.25 -1.33 117.35 120.11 3maq s TYR 543 Ca -0.05 0.04 -0.27 0.00 -2.44 0.00 0.00 57.07 54.36 3maq s TYR 543 Cb 0.14 0.60 0.14 0.00 0.35 0.00 0.00 41.96 43.20 3maq s TYR 543 CO 0.90 -0.83 1.14 0.20 -1.34 0.00 0.00 175.55 175.62 3maq s GLY 544 N -2.76 -0.05 -0.20 8.97 0.00 -1.26 -0.29 107.32 111.72 3maq s GLY 544 Ca 0.07 2.70 -0.04 0.00 0.00 0.00 0.00 44.72 47.45 3maq s GLY 544 CO -0.04 1.58 0.14 -0.35 0.00 0.00 0.00 173.10 174.43 3maq s ASP 545 N -0.28 2.22 0.00 1.64 -1.08 -1.02 -0.75 116.67 117.39 3maq s ASP 545 Ca 0.03 -0.61 0.00 0.00 -0.52 0.00 0.00 52.55 51.45 3maq s ASP 545 Cb -0.03 -0.04 0.00 0.00 -1.46 0.00 0.00 42.92 41.38 3maq s ASP 545 CO -0.06 -0.36 0.00 0.41 0.52 0.00 0.00 175.17 175.68 3maq n THR 546 N 5.29 0.00 -1.06 1.71 -1.04 0.47 -2.10 114.28 117.54 3maq n THR 546 Ca -0.06 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.00 3maq n THR 546 Cb 0.48 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 69.06 3maq n THR 546 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3maq n ASP 547 N 0.70 1.51 -4.45 8.00 3.85 -1.26 -4.66 116.55 120.24 3maq n ASP 547 Ca 0.00 -2.41 -0.26 0.00 -0.71 0.00 0.00 54.79 51.41 3maq n ASP 547 Cb 0.00 -0.25 -0.11 0.00 -1.35 0.00 0.00 41.12 39.41 3maq n ASP 547 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3maq s SER 548 N -1.78 3.53 -0.08 -1.12 1.04 -0.89 -1.45 113.70 112.95 3maq s SER 548 Ca 0.15 -0.92 -0.04 0.00 0.48 0.00 0.00 55.95 55.63 3maq s SER 548 Cb 0.13 -0.29 0.04 0.00 0.10 0.00 0.00 66.02 66.00 3maq s SER 548 CO 0.01 0.09 0.18 0.28 0.98 0.00 0.00 173.24 174.78 3maq s THR 549 N -2.00 -0.06 -0.26 2.02 -1.32 0.77 -2.43 115.64 112.36 3maq s THR 549 Ca 0.24 0.18 -0.10 0.00 -1.21 0.00 0.00 61.69 60.81 3maq s THR 549 Cb -0.07 -0.29 -0.04 0.00 -1.51 0.00 0.00 72.50 70.59 3maq s THR 549 CO 0.12 0.07 0.15 -0.36 -2.21 0.00 0.00 174.62 172.39 3maq s PHE 550 N 1.26 3.19 -0.28 9.09 0.08 0.60 -1.07 117.98 130.84 3maq s PHE 550 Ca -0.09 -0.02 -0.06 0.00 0.12 0.00 0.00 56.93 56.88 3maq s PHE 550 Cb -0.11 -2.32 0.01 0.00 -0.57 0.00 0.00 43.02 40.03 3maq s PHE 550 CO -0.07 -0.18 0.05 0.08 -0.10 0.00 0.00 175.22 175.00 3maq s VAL 551 N 1.59 3.74 -0.42 -0.44 1.01 0.47 -1.41 120.40 124.93 3maq s VAL 551 Ca 0.07 -0.74 -0.25 0.00 0.00 0.00 0.00 61.98 61.06 3maq s VAL 551 Cb -0.15 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.34 3maq s VAL 551 CO 0.08 0.12 0.89 0.86 0.00 0.00 0.00 175.10 177.05 3maq s TRP 552 N 1.47 2.99 -0.05 5.22 -0.00 -0.16 -0.45 118.94 127.96 3maq s TRP 552 Ca 0.02 0.47 0.29 0.00 -0.00 0.00 0.00 56.10 56.88 3maq s TRP 552 Cb -0.17 -3.77 1.41 0.00 -0.00 0.00 0.00 33.47 30.94 3maq s TRP 552 CO 0.01 -0.97 1.88 -0.07 -0.00 0.00 0.00 176.95 177.80 3maq h LEU 553 N 10.28 0.00 0.81 5.86 3.38 -1.70 -3.25 115.31 130.68 3maq h LEU 553 Ca -0.24 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.56 3maq h LEU 553 Cb 1.08 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 3maq h LEU 553 CO 0.99 0.00 -0.18 1.17 0.09 0.00 0.00 178.44 180.51 3maq n LYS 554 N -2.56 -0.62 -3.56 1.13 4.81 -1.26 -4.96 118.16 111.13 3maq n LYS 554 Ca -0.00 0.59 0.03 0.00 -0.87 0.00 0.00 58.31 58.06 3maq n LYS 554 Cb 0.14 -4.50 -0.00 0.00 0.02 0.00 0.00 35.03 30.69 3maq n LYS 554 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3maq s GLY 555 N -2.76 -0.48 0.03 3.14 0.00 -1.26 -5.13 107.32 100.85 3maq s GLY 555 Ca 0.00 1.04 -0.23 0.00 0.00 0.00 0.00 44.72 45.53 3maq s GLY 555 CO 0.00 0.21 0.69 0.00 0.00 0.00 0.00 173.10 174.01 3maq s ALA 556 N -2.03 3.42 0.13 3.20 0.00 -1.26 -4.28 121.76 120.93 3maq s ALA 556 Ca 0.15 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.34 3maq s ALA 556 Cb 0.07 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 3maq s ALA 556 CO -0.06 0.12 -0.13 -1.01 0.00 0.00 0.00 175.76 174.67 3maq s HIS 557 N -0.17 1.36 0.67 0.00 3.76 -1.26 -5.06 115.29 114.60 3maq s HIS 557 Ca 0.35 -0.59 -0.08 0.00 -0.15 0.00 0.00 55.06 54.59 3maq s HIS 557 Cb -0.20 -0.71 0.03 0.00 1.11 0.00 0.00 32.58 32.82 3maq s HIS 557 CO 0.21 0.13 1.02 -1.54 -0.85 0.00 0.00 174.74 173.71 3maq s SER 558 N -2.58 5.27 0.28 1.40 1.04 -1.26 -4.86 113.70 112.98 3maq s SER 558 Ca 0.10 0.80 -0.01 0.00 0.48 0.00 0.00 55.95 57.32 3maq s SER 558 Cb -0.04 -1.61 0.46 0.00 0.10 0.00 0.00 66.02 64.93 3maq s SER 558 CO 0.03 -1.35 1.88 -0.33 0.98 0.00 0.00 173.24 174.44 3maq h GLU 559 N -0.51 1.09 -0.26 4.02 4.39 -1.98 -1.07 114.58 120.26 3maq h GLU 559 Ca -0.45 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.08 3maq h GLU 559 Cb 1.28 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 3maq h GLU 559 CO 0.62 0.72 -0.23 1.49 -1.16 0.00 0.00 179.01 180.46 3maq h GLU 560 N 1.12 0.61 -0.12 2.33 4.81 -1.99 -2.24 114.58 119.10 3maq h GLU 560 Ca 0.44 -0.31 -0.17 0.00 -0.13 0.00 0.00 59.36 59.19 3maq h GLU 560 Cb 0.23 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3maq h GLU 560 CO -0.18 0.90 -0.62 1.49 -0.73 0.00 0.00 179.01 179.87 3maq h GLU 561 N 0.32 0.44 -0.21 1.92 4.57 -1.90 -2.33 114.58 117.38 3maq h GLU 561 Ca 0.04 -0.31 -0.10 0.00 -1.18 0.00 0.00 59.36 57.82 3maq h GLU 561 Cb 0.78 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 3maq h GLU 561 CO 0.06 0.92 -0.30 0.00 -1.18 0.00 0.00 179.01 178.51 3maq h ALA 562 N 1.01 1.08 -0.00 2.92 0.00 -1.21 -1.70 119.26 121.36 3maq h ALA 562 Ca -0.01 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 3maq h ALA 562 Cb 1.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3maq h ALA 562 CO 0.11 0.57 -0.83 0.00 0.00 0.00 0.00 179.25 179.10 3maq h ALA 563 N 1.31 0.61 -0.43 0.00 0.00 -1.33 -1.76 119.26 117.65 3maq h ALA 563 Ca 0.05 -0.71 -0.11 0.00 0.00 0.00 0.00 54.91 54.14 3maq h ALA 563 Cb 0.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3maq h ALA 563 CO 0.06 0.94 -0.15 0.87 0.00 0.00 0.00 179.25 180.96 3maq h LYS 564 N 0.07 0.86 -0.65 0.00 1.57 -1.07 -0.72 116.57 116.63 3maq h LYS 564 Ca -0.03 -0.35 -0.06 0.00 -1.87 0.00 0.00 60.65 58.34 3maq h LYS 564 Cb 1.44 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.69 3maq h LYS 564 CO 0.12 0.99 0.15 0.82 -0.57 0.00 0.00 179.45 180.96 3maq h ILE 565 N 0.69 1.26 -0.18 1.86 2.04 -1.27 -2.00 117.51 119.91 3maq h ILE 565 Ca 0.10 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3maq h ILE 565 Cb 0.70 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3maq h ILE 565 CO 0.05 0.36 0.08 1.23 0.00 0.00 0.00 178.15 179.87 3maq h GLY 566 N 0.96 0.28 1.12 5.37 0.00 -1.14 0.18 103.07 109.84 3maq h GLY 566 Ca 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 3maq h GLY 566 CO 0.00 0.14 0.33 3.21 0.00 0.00 0.00 176.54 180.22 3maq h ARG 567 N 0.15 1.13 -0.31 4.80 3.08 -1.07 -1.93 114.38 120.22 3maq h ARG 567 Ca 0.06 -0.18 -0.14 0.00 0.07 0.00 0.00 59.98 59.79 3maq h ARG 567 Cb 0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3maq h ARG 567 CO -0.01 0.90 -0.37 0.00 -1.07 0.00 0.00 179.97 179.42 3maq h ALA 568 N 1.25 0.77 -0.31 0.04 0.00 -1.19 -2.55 119.26 117.27 3maq h ALA 568 Ca 0.26 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3maq h ALA 568 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3maq h ALA 568 CO -0.03 0.65 -0.06 -0.07 0.00 0.00 0.00 179.25 179.75 3maq h LEU 569 N 0.60 0.59 -1.09 0.00 3.38 -0.57 -1.02 115.31 117.19 3maq h LEU 569 Ca 0.06 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 3maq h LEU 569 Cb 0.90 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3maq h LEU 569 CO 0.08 0.81 -0.44 -0.37 0.09 0.00 0.00 178.44 178.61 3maq h VAL 570 N 0.36 1.32 -0.37 1.22 -1.51 -1.36 -1.45 116.25 114.46 3maq h VAL 570 Ca 0.08 -1.53 -0.09 0.00 -1.23 0.00 0.00 66.70 63.94 3maq h VAL 570 Cb 0.54 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.50 3maq h VAL 570 CO 0.03 0.44 -0.10 -0.61 -1.23 0.00 0.00 177.57 176.09 3maq h GLN 571 N 0.02 0.73 -0.51 5.19 4.15 -1.33 0.02 115.11 123.37 3maq h GLN 571 Ca -0.00 -0.29 -0.05 0.00 0.77 0.00 0.00 58.65 59.09 3maq h GLN 571 Cb 0.79 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 3maq h GLN 571 CO 0.06 0.88 0.14 1.25 -1.93 0.00 0.00 178.83 179.23 3maq h HIS 572 N 0.53 0.85 -0.50 3.99 2.76 -0.86 -2.29 115.15 119.63 3maq h HIS 572 Ca 0.09 -0.10 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 3maq h HIS 572 Cb 0.62 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 3maq h HIS 572 CO 0.05 0.74 -0.03 0.28 -1.30 0.00 0.00 177.93 177.67 3maq h VAL 573 N 0.71 1.27 -0.11 5.26 2.07 -1.08 -2.52 116.25 121.84 3maq h VAL 573 Ca 0.16 -1.13 -0.10 0.00 0.82 0.00 0.00 66.70 66.46 3maq h VAL 573 Cb 0.31 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3maq h VAL 573 CO -0.00 0.40 -0.36 0.78 0.02 0.00 0.00 177.57 178.40 3maq h ASN 574 N 0.77 0.23 -0.03 0.57 2.35 -0.91 -1.77 115.58 116.77 3maq h ASN 574 Ca 0.14 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 3maq h ASN 574 Cb 0.56 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3maq h ASN 574 CO 0.03 0.58 -0.44 0.00 -1.65 0.00 0.00 177.43 175.95 3maq h ALA 575 N 1.44 0.80 -0.47 -0.83 0.00 -1.38 -1.14 119.26 117.68 3maq h ALA 575 Ca 0.02 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 3maq h ALA 575 Cb 0.73 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3maq h ALA 575 CO 0.06 0.66 -0.05 2.35 0.00 0.00 0.00 179.25 182.27 3maq h TRP 576 N 0.46 0.95 -0.44 0.00 7.01 -1.05 0.16 115.95 123.05 3maq h TRP 576 Ca 0.03 -0.18 -0.09 0.00 2.11 0.00 0.00 58.89 60.76 3maq h TRP 576 Cb 0.96 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.76 3maq h TRP 576 CO 0.04 0.92 -0.09 -1.49 -2.79 0.00 0.00 178.44 175.02 3maq h TRP 577 N 0.71 0.86 -0.17 2.65 -0.00 -1.16 -0.21 115.95 118.63 3maq h TRP 577 Ca 0.13 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.89 58.85 3maq h TRP 577 Cb 0.57 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.16 29.50 3maq h TRP 577 CO 0.04 0.84 0.03 0.00 -0.00 0.00 0.00 178.44 179.36 3maq h ALA 578 N 1.18 0.23 -0.33 1.49 0.00 -0.78 -1.88 119.26 119.16 3maq h ALA 578 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3maq h ALA 578 Cb 0.57 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3maq h ALA 578 CO 0.04 -0.11 0.21 1.49 0.00 0.00 0.00 179.25 180.87 3maq h GLU 579 N 0.08 0.45 -0.19 0.00 4.81 -0.42 -2.51 114.58 116.80 3maq h GLU 579 Ca 0.05 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3maq h GLU 579 Cb 0.30 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3maq h GLU 579 CO 0.00 0.33 -0.03 1.15 -0.73 0.00 0.00 179.01 179.73 3maq h THR 580 N 0.44 1.28 0.00 0.32 2.02 -1.00 -3.12 112.91 112.84 3maq h THR 580 Ca 0.12 -0.97 -0.10 0.00 0.77 0.00 0.00 66.41 66.22 3maq h THR 580 Cb -0.01 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3maq h THR 580 CO -0.02 0.29 -0.49 -0.07 0.37 0.00 0.00 175.52 175.60 3maq h LEU 581 N 0.08 0.00 -1.20 2.58 4.07 -1.39 -2.93 115.31 116.52 3maq h LEU 581 Ca 0.05 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.96 3maq h LEU 581 Cb 0.46 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 3maq h LEU 581 CO 0.02 0.49 0.00 -0.61 -1.08 0.00 0.00 178.44 177.26 3maq h GLN 582 N 0.00 0.55 0.00 1.13 4.15 -1.33 0.14 115.11 119.75 3maq h GLN 582 Ca -0.00 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 3maq h GLN 582 Cb 1.09 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.70 3maq h GLN 582 CO 0.06 0.57 -0.08 -0.22 -1.93 0.00 0.00 178.83 177.23 3maq h LYS 583 N 0.53 0.00 -0.40 1.69 3.64 -1.45 0.54 116.57 121.12 3maq h LYS 583 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3maq h LYS 583 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3maq h LYS 583 CO 0.01 0.08 0.00 1.04 -2.27 0.00 0.00 179.45 178.32 3maq n GLN 584 N -3.34 2.15 -2.70 1.90 6.02 -0.14 -4.91 117.38 116.37 3maq n GLN 584 Ca -0.01 -1.77 -0.20 0.00 -0.01 0.00 0.00 57.00 55.01 3maq n GLN 584 Cb 0.27 -1.43 0.01 0.00 1.02 0.00 0.00 30.24 30.12 3maq n GLN 584 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3maq n ARG 585 N 0.95 -3.25 -4.36 -1.09 1.74 0.18 -5.01 116.66 105.82 3maq n ARG 585 Ca 0.18 0.90 -0.24 0.00 -0.77 0.00 0.00 57.85 57.92 3maq n ARG 585 Cb 0.45 -5.57 -0.08 0.00 -1.02 0.00 0.00 32.46 26.23 3maq n ARG 585 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3maq s LEU 586 N -5.99 2.95 -0.15 0.55 1.43 0.32 -4.99 118.68 112.79 3maq s LEU 586 Ca 0.16 -0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 52.42 3maq s LEU 586 Cb -0.07 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 3maq s LEU 586 CO 0.19 -0.01 -0.10 -0.89 0.23 0.00 0.00 176.35 175.77 3maq s THR 587 N -2.42 3.22 -0.13 5.49 2.01 -1.26 -2.95 115.64 119.60 3maq s THR 587 Ca 0.31 -0.59 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 3maq s THR 587 Cb -0.05 -2.38 -0.01 0.00 0.01 0.00 0.00 72.50 70.07 3maq s THR 587 CO 0.18 0.50 1.02 -0.55 -0.69 0.00 0.00 174.62 175.09 3maq s SER 588 N 0.56 7.20 0.00 3.53 0.15 -1.26 -4.48 113.70 119.40 3maq s SER 588 Ca -0.07 1.51 0.12 0.00 0.70 0.00 0.00 55.95 58.21 3maq s SER 588 Cb -0.15 -2.55 0.27 0.00 -1.71 0.00 0.00 66.02 61.88 3maq s SER 588 CO 0.03 -0.51 1.17 0.00 1.20 0.00 0.00 173.24 175.14 3maq n ALA 589 N 5.34 2.29 -2.31 5.45 0.00 -1.26 -4.96 120.51 125.05 3maq n ALA 589 Ca 0.10 -0.99 -0.42 0.00 0.00 0.00 0.00 53.44 52.12 3maq n ALA 589 Cb 0.48 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3maq n ALA 589 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3maq s LEU 590 N -1.02 4.32 -0.26 0.00 1.43 -1.26 -4.87 118.68 117.02 3maq s LEU 590 Ca 0.23 2.04 -0.02 0.00 -1.03 0.00 0.00 54.13 55.35 3maq s LEU 590 Cb 0.13 -3.57 0.08 0.00 0.03 0.00 0.00 46.19 42.86 3maq s LEU 590 CO 0.17 -0.63 0.07 -0.70 0.23 0.00 0.00 176.35 175.49 3maq s GLU 591 N 1.96 0.66 0.23 1.70 2.12 -1.26 -4.87 118.70 119.24 3maq s GLU 591 Ca 0.61 -0.74 -0.23 0.00 0.36 0.00 0.00 54.97 54.97 3maq s GLU 591 Cb -0.30 -1.96 -0.09 0.00 0.26 0.00 0.00 34.13 32.05 3maq s GLU 591 CO 0.26 -0.84 0.80 -1.17 -0.54 0.00 0.00 175.26 173.78 3maq s LEU 592 N 1.77 4.43 0.08 2.70 2.96 -1.26 -1.01 118.68 128.35 3maq s LEU 592 Ca 0.05 1.61 0.08 0.00 -0.22 0.00 0.00 54.13 55.64 3maq s LEU 592 Cb -0.17 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.88 3maq s LEU 592 CO -0.19 0.06 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.09 3maq s GLU 593 N -1.72 1.20 -0.48 1.98 2.02 -0.70 -4.85 118.70 116.14 3maq s GLU 593 Ca 0.43 -1.08 -0.23 0.00 0.02 0.00 0.00 54.97 54.10 3maq s GLU 593 Cb -0.19 -1.41 0.03 0.00 0.10 0.00 0.00 34.13 32.66 3maq s GLU 593 CO 0.24 0.34 0.81 -0.47 0.02 0.00 0.00 175.26 176.20 3maq s TYR 594 N -1.04 2.94 -0.21 1.61 5.04 -1.26 -1.62 117.35 122.80 3maq s TYR 594 Ca 0.07 0.05 -0.18 0.00 -2.44 0.00 0.00 57.07 54.57 3maq s TYR 594 Cb -0.10 -3.77 -0.15 0.00 0.35 0.00 0.00 41.96 38.30 3maq s TYR 594 CO 0.03 -1.09 0.02 -1.91 -1.34 0.00 0.00 175.55 171.27 3maq n GLU 595 N 6.87 0.55 -3.74 4.97 2.13 -0.53 -5.00 120.64 125.89 3maq n GLU 595 Ca 0.01 0.50 -0.14 0.00 0.66 0.00 0.00 57.16 58.19 3maq n GLU 595 Cb 0.48 -1.68 -0.09 0.00 0.27 0.00 0.00 31.44 30.42 3maq n GLU 595 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3maq s THR 596 N -2.40 0.05 -0.27 6.31 2.01 -1.11 -4.99 115.64 115.25 3maq s THR 596 Ca -0.29 -0.38 -0.00 0.00 0.31 0.00 0.00 61.69 61.33 3maq s THR 596 Cb 0.07 -0.63 0.04 0.00 0.01 0.00 0.00 72.50 71.99 3maq s THR 596 CO 0.51 -0.21 -0.06 -2.28 -0.69 0.00 0.00 174.62 171.89 3maq s HIS 597 N -1.13 3.17 -0.31 4.92 2.46 -1.26 -0.73 115.29 122.40 3maq s HIS 597 Ca -0.12 -1.87 -0.18 0.00 0.47 0.00 0.00 55.06 53.36 3maq s HIS 597 Cb -0.05 -2.03 -0.01 0.00 -0.13 0.00 0.00 32.58 30.36 3maq s HIS 597 CO 0.04 -0.80 0.52 -0.06 -2.47 0.00 0.00 174.74 171.97 3maq s PHE 598 N 1.24 3.21 0.19 3.88 0.08 0.10 -4.60 117.98 122.09 3maq s PHE 598 Ca -0.04 0.39 0.13 0.00 0.12 0.00 0.00 56.93 57.53 3maq s PHE 598 Cb -0.18 -2.85 0.36 0.00 -0.57 0.00 0.00 43.02 39.78 3maq s PHE 598 CO -0.04 -0.43 1.59 0.00 -0.10 0.00 0.00 175.22 176.25 3maq s ARG 600 N -3.45 0.87 -0.13 0.00 1.81 -1.19 -1.34 118.95 115.51 3maq s ARG 600 Ca -0.00 -0.50 -0.09 0.00 -1.72 0.00 0.00 55.73 53.43 3maq s ARG 600 Cb 0.11 -0.84 0.04 0.00 -0.45 0.00 0.00 34.95 33.82 3maq s ARG 600 CO 0.75 0.22 0.32 0.12 -0.68 0.00 0.00 175.30 176.03 3maq s PHE 601 N -0.46 -0.42 -0.14 -0.53 5.36 0.48 -0.13 117.98 122.14 3maq s PHE 601 Ca 0.03 0.97 0.01 0.00 -0.96 0.00 0.00 56.93 56.98 3maq s PHE 601 Cb -0.05 0.14 -0.00 0.00 -0.34 0.00 0.00 43.02 42.77 3maq s PHE 601 CO 0.00 -0.24 -0.18 -1.17 -1.46 0.00 0.00 175.22 172.16 3maq s LEU 602 N 0.89 2.34 -0.32 6.12 2.96 -0.07 0.83 118.68 131.43 3maq s LEU 602 Ca -0.06 -0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 53.35 3maq s LEU 602 Cb -0.07 -1.51 0.07 0.00 0.50 0.00 0.00 46.19 45.18 3maq s LEU 602 CO -0.06 0.11 0.03 -0.32 -1.32 0.00 0.00 176.35 174.78 3maq s MET 603 N 0.67 2.16 0.83 1.98 -2.45 0.61 -2.87 119.30 120.22 3maq s MET 603 Ca -0.09 -1.49 -0.12 0.00 -1.25 0.00 0.00 55.69 52.74 3maq s MET 603 Cb -0.16 -3.22 0.09 0.00 1.25 0.00 0.00 34.83 32.79 3maq s MET 603 CO 0.02 -0.75 1.10 -1.25 1.05 0.00 0.00 175.02 175.19 3maq s PRO 604 N 1.15 1.83 0.36 4.11 0.04 -1.26 -1.29 135.00 139.94 3maq s PRO 604 Ca -0.01 0.61 0.04 0.00 0.04 0.00 0.00 61.00 61.69 3maq s PRO 604 Cb -0.20 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 3maq s PRO 604 CO -0.03 -1.79 0.52 0.95 0.04 0.00 0.00 177.00 176.68 3maq s THR 605 N -3.14 4.20 0.51 1.26 -4.23 -1.26 -0.64 115.64 112.34 3maq s THR 605 Ca 0.62 -0.83 -0.20 0.00 -1.18 0.00 0.00 61.69 60.10 3maq s THR 605 Cb -0.15 -3.49 -0.07 0.00 1.34 0.00 0.00 72.50 70.13 3maq s THR 605 CO 0.54 -0.24 1.08 -0.63 -0.54 0.00 0.00 174.62 174.83 3maq s ILE 606 N -2.28 3.51 0.24 2.99 1.01 -0.28 -4.46 121.20 121.93 3maq s ILE 606 Ca 0.45 0.94 -0.31 0.00 0.00 0.00 0.00 60.65 61.72 3maq s ILE 606 Cb -0.10 -3.38 -0.12 0.00 0.01 0.00 0.00 42.46 38.87 3maq s ILE 606 CO 0.33 -0.21 1.59 0.54 0.00 0.00 0.00 174.94 177.19 3maq n ARG 607 N -1.13 2.49 -1.03 2.79 5.12 -1.26 -2.87 116.66 120.77 3maq n ARG 607 Ca 0.10 0.89 -0.01 0.00 -1.93 0.00 0.00 57.85 56.90 3maq n ARG 607 Cb 0.52 -2.66 -0.00 0.00 -1.16 0.00 0.00 32.46 29.15 3maq n ARG 607 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3maq n GLY 608 N 2.83 0.37 3.37 -0.13 0.00 -1.26 -5.00 105.19 105.37 3maq n GLY 608 Ca 0.13 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3maq n GLY 608 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3maq s ALA 609 N -1.66 0.80 -0.72 4.61 0.00 -1.14 -5.04 121.76 118.61 3maq s ALA 609 Ca 0.00 -1.49 0.24 0.00 0.00 0.00 0.00 51.96 50.71 3maq s ALA 609 Cb 0.00 1.27 0.32 0.00 0.00 0.00 0.00 23.12 24.72 3maq s ALA 609 CO 0.00 -0.71 1.28 -0.25 0.00 0.00 0.00 175.76 176.09 3maq n ASP 610 N -0.65 0.63 -4.76 0.00 8.00 -1.26 -4.43 116.55 114.08 3maq n ASP 610 Ca 0.02 -0.03 -0.39 0.00 0.71 0.00 0.00 54.79 55.10 3maq n ASP 610 Cb 0.64 0.31 0.02 0.00 -0.02 0.00 0.00 41.12 42.07 3maq n ASP 610 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3maq s THR 611 N -3.14 2.18 0.36 -3.53 2.01 -1.26 -4.86 115.64 107.41 3maq s THR 611 Ca 0.07 0.15 -0.26 0.00 0.31 0.00 0.00 61.69 61.96 3maq s THR 611 Cb 0.15 -3.08 -0.09 0.00 0.01 0.00 0.00 72.50 69.48 3maq s THR 611 CO 0.73 0.01 1.07 -0.83 -0.69 0.00 0.00 174.62 174.91 3maq s GLY 612 N -0.74 2.84 0.53 4.40 0.00 -1.26 -1.13 107.32 111.96 3maq s GLY 612 Ca 0.65 0.77 -0.07 0.00 0.00 0.00 0.00 44.72 46.06 3maq s GLY 612 CO 0.51 1.25 0.87 -0.45 0.00 0.00 0.00 173.10 175.28 3maq s SER 613 N -1.35 6.25 0.13 1.64 0.15 0.18 -4.51 113.70 116.19 3maq s SER 613 Ca 0.54 1.09 0.09 0.00 0.70 0.00 0.00 55.95 58.37 3maq s SER 613 Cb -0.25 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 3maq s SER 613 CO 0.32 -0.67 -0.19 -0.54 1.20 0.00 0.00 173.24 173.35 3maq s LYS 614 N -4.88 1.73 -1.91 5.44 1.02 -1.26 -4.56 119.74 115.32 3maq s LYS 614 Ca 0.50 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 55.26 3maq s LYS 614 Cb -0.11 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 3maq s LYS 614 CO 0.48 0.47 0.00 1.63 -0.92 0.00 0.00 175.35 177.01 3maq n LYS 615 N 0.73 -1.41 -3.77 1.68 5.02 -1.26 -4.96 118.16 114.19 3maq n LYS 615 Ca -0.15 1.13 -0.19 0.00 -2.02 0.00 0.00 58.31 57.07 3maq n LYS 615 Cb 0.53 -5.47 -0.17 0.00 -0.02 0.00 0.00 35.03 29.90 3maq n LYS 615 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3maq s ARG 616 N -3.51 0.18 0.04 1.97 1.81 -1.26 -4.01 118.95 114.17 3maq s ARG 616 Ca 0.00 0.22 -0.28 0.00 -1.72 0.00 0.00 55.73 53.95 3maq s ARG 616 Cb 0.00 -0.58 0.09 0.00 -0.45 0.00 0.00 34.95 34.01 3maq s ARG 616 CO 0.00 -0.26 1.00 1.52 -0.68 0.00 0.00 175.30 176.88 3maq s TYR 617 N 1.71 -0.20 0.02 -0.53 -0.85 -0.47 -4.38 117.35 112.66 3maq s TYR 617 Ca -0.00 0.00 -0.06 0.00 -0.52 0.00 0.00 57.07 56.49 3maq s TYR 617 Cb -0.13 0.58 -0.01 0.00 0.38 0.00 0.00 41.96 42.79 3maq s TYR 617 CO -0.03 -0.60 0.11 0.00 -1.52 0.00 0.00 175.55 173.51 3maq s ALA 618 N -3.04 -0.17 0.20 9.51 0.00 -1.14 -0.70 121.76 126.43 3maq s ALA 618 Ca 0.10 -0.38 -0.17 0.00 0.00 0.00 0.00 51.96 51.50 3maq s ALA 618 Cb -0.00 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.34 3maq s ALA 618 CO -0.03 -0.27 0.53 0.20 0.00 0.00 0.00 175.76 176.19 3maq s GLY 619 N -1.80 -0.05 -0.12 0.00 0.00 -0.53 -0.89 107.32 103.93 3maq s GLY 619 Ca -0.09 -0.27 0.01 0.00 0.00 0.00 0.00 44.72 44.37 3maq s GLY 619 CO -0.02 -0.27 -0.16 -2.27 0.00 0.00 0.00 173.10 170.37 3maq s LEU 620 N -2.88 2.52 -0.10 0.66 2.96 0.81 -1.07 118.68 121.58 3maq s LEU 620 Ca 0.10 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 3maq s LEU 620 Cb -0.01 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 3maq s LEU 620 CO -0.02 0.17 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.41 3maq s ILE 621 N 0.30 2.97 -0.24 6.68 1.01 -0.11 -0.13 121.20 131.67 3maq s ILE 621 Ca -0.12 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 59.71 3maq s ILE 621 Cb -0.16 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 3maq s ILE 621 CO 0.06 0.55 0.15 -1.58 0.00 0.00 0.00 174.94 174.12 3maq s GLN 622 N -0.02 4.02 -0.26 2.79 2.00 -1.26 -1.26 119.66 125.66 3maq s GLN 622 Ca -0.04 -0.30 0.00 0.00 -2.00 0.00 0.00 55.36 53.03 3maq s GLN 622 Cb -0.14 -3.52 0.08 0.00 0.80 0.00 0.00 33.01 30.23 3maq s GLN 622 CO 0.04 0.03 0.02 -1.21 -0.50 0.00 0.00 175.29 173.66 3maq s GLU 623 N 1.14 1.18 7.80 1.67 2.02 0.28 -5.00 118.70 127.79 3maq s GLU 623 Ca 0.07 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 54.05 3maq s GLU 623 Cb -0.14 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.68 3maq s GLU 623 CO 0.05 -0.75 0.00 0.41 0.02 0.00 0.00 175.26 174.99 3maq n GLY 624 N 4.74 3.35 1.10 -1.39 0.00 -1.26 -0.61 105.19 111.11 3maq n GLY 624 Ca -0.07 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.92 3maq n GLY 624 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3maq n ASP 625 N 5.66 3.22 -4.65 1.61 8.00 -1.26 -4.92 116.55 124.21 3maq n ASP 625 Ca 0.00 -1.97 -0.28 0.00 0.71 0.00 0.00 54.79 53.25 3maq n ASP 625 Cb 0.00 -0.33 -0.08 0.00 -0.02 0.00 0.00 41.12 40.68 3maq n ASP 625 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3maq s LYS 626 N -1.33 2.37 -0.02 -1.24 -0.14 0.21 -5.13 119.74 114.47 3maq s LYS 626 Ca 0.40 -1.00 0.06 0.00 -1.36 0.00 0.00 55.97 54.07 3maq s LYS 626 Cb 0.22 -2.40 -0.01 0.00 -1.68 0.00 0.00 37.83 33.95 3maq s LYS 626 CO 0.29 0.50 -0.20 -0.65 -0.76 0.00 0.00 175.35 174.53 3maq s GLN 627 N -2.55 1.63 0.02 1.68 -0.21 -1.26 0.98 119.66 119.95 3maq s GLN 627 Ca 0.25 -0.71 0.02 0.00 0.02 0.00 0.00 55.36 54.94 3maq s GLN 627 Cb -0.11 -1.57 -0.01 0.00 1.00 0.00 0.00 33.01 32.32 3maq s GLN 627 CO 0.17 0.42 -0.06 -0.98 -2.12 0.00 0.00 175.29 172.73 3maq s ARG 628 N -0.45 0.43 -0.03 2.91 1.70 -0.39 -4.98 118.95 118.13 3maq s ARG 628 Ca 0.07 -0.46 -0.07 0.00 -0.47 0.00 0.00 55.73 54.80 3maq s ARG 628 Cb -0.08 -0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 33.97 3maq s ARG 628 CO -0.01 0.06 0.24 -1.64 -1.08 0.00 0.00 175.30 172.88 3maq s MET 629 N -0.87 3.57 -0.08 3.89 -1.94 -1.26 -0.94 119.30 121.67 3maq s MET 629 Ca -0.05 -0.06 0.04 0.00 -1.71 0.00 0.00 55.69 53.91 3maq s MET 629 Cb -0.06 -3.12 -0.01 0.00 2.01 0.00 0.00 34.83 33.64 3maq s MET 629 CO 0.00 0.69 -0.21 0.08 -0.01 0.00 0.00 175.02 175.57 3maq s VAL 630 N -1.21 2.35 -0.06 -6.03 1.01 -0.24 -4.98 120.40 111.24 3maq s VAL 630 Ca 0.24 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.31 3maq s VAL 630 Cb -0.13 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.36 3maq s VAL 630 CO 0.13 0.56 -0.16 -0.36 0.00 0.00 0.00 175.10 175.27 3maq s PHE 631 N -0.03 1.77 -0.13 5.22 0.08 -1.26 -1.45 117.98 122.19 3maq s PHE 631 Ca -0.07 -0.63 0.00 0.00 0.12 0.00 0.00 56.93 56.36 3maq s PHE 631 Cb -0.15 -1.23 0.02 0.00 -0.57 0.00 0.00 43.02 41.09 3maq s PHE 631 CO 0.05 -0.27 -0.12 0.15 -0.10 0.00 0.00 175.22 174.94 3maq s LYS 632 N 0.37 1.96 0.00 0.44 -0.14 0.12 -4.79 119.74 117.70 3maq s LYS 632 Ca -0.12 -0.43 0.00 0.00 -1.36 0.00 0.00 55.97 54.06 3maq s LYS 632 Cb -0.15 -1.85 0.00 0.00 -1.68 0.00 0.00 37.83 34.15 3maq s LYS 632 CO 0.04 -0.22 0.00 0.41 -0.76 0.00 0.00 175.35 174.82 3maq n GLY 633 N 4.74 1.48 3.79 -3.33 0.00 -1.26 -1.37 105.19 109.25 3maq n GLY 633 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 3maq n GLY 633 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3maq s LEU 634 N 0.00 2.06 0.53 0.99 1.43 -1.26 -4.82 118.68 117.61 3maq s LEU 634 Ca 0.00 0.97 0.32 0.00 -1.03 0.00 0.00 54.13 54.39 3maq s LEU 634 Cb 0.00 -3.31 1.47 0.00 0.03 0.00 0.00 46.19 44.38 3maq s LEU 634 CO 0.00 -2.49 1.88 -0.33 0.23 0.00 0.00 176.35 175.63 3maq h GLU 635 N -1.46 0.02 -0.55 1.70 3.07 -1.93 -0.42 114.58 115.01 3maq h GLU 635 Ca -0.50 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.32 3maq h GLU 635 Cb 1.33 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.21 3maq h GLU 635 CO 0.62 0.01 0.20 1.15 -1.40 0.00 0.00 179.01 179.60 3maq h THR 636 N 0.02 1.21 -0.49 1.13 2.02 -1.89 -2.58 112.91 112.33 3maq h THR 636 Ca 0.45 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3maq h THR 636 Cb 1.75 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 3maq h THR 636 CO -0.02 0.26 0.00 1.33 0.37 0.00 0.00 175.52 177.46 3maq n VAL 637 N -4.32 2.05 -3.71 3.16 0.24 -0.19 -4.91 118.33 110.65 3maq n VAL 637 Ca 0.04 -1.40 -0.37 0.00 -2.04 0.00 0.00 64.34 60.58 3maq n VAL 637 Cb 0.17 -0.01 -0.12 0.00 -1.47 0.00 0.00 33.84 32.41 3maq n VAL 637 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3maq s ARG 638 N -2.19 3.70 0.28 7.34 0.52 -0.97 -4.89 118.95 122.73 3maq s ARG 638 Ca 0.46 -0.46 0.22 0.00 -0.52 0.00 0.00 55.73 55.43 3maq s ARG 638 Cb 0.33 -3.42 1.04 0.00 0.52 0.00 0.00 34.95 33.42 3maq s ARG 638 CO 0.18 -0.20 1.67 0.25 0.02 0.00 0.00 175.30 177.21 3maq n THR 639 N 4.96 0.96 1.29 0.02 -2.24 -1.26 -2.34 114.28 115.67 3maq n THR 639 Ca -0.15 0.47 0.12 0.00 -2.27 0.00 0.00 64.05 62.22 3maq n THR 639 Cb 0.51 -1.43 0.42 0.00 -2.10 0.00 0.00 70.33 67.73 3maq n THR 639 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3maq n ASP 640 N -2.22 1.75 -4.94 3.42 5.75 -1.26 -4.46 116.55 114.59 3maq n ASP 640 Ca 0.00 -1.64 -0.26 0.00 -0.01 0.00 0.00 54.79 52.88 3maq n ASP 640 Cb 0.13 -0.06 -0.03 0.00 -1.03 0.00 0.00 41.12 40.13 3maq n ASP 640 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3maq s TRP 641 N -1.88 3.48 0.60 2.11 0.52 -0.99 -4.56 118.94 118.22 3maq s TRP 641 Ca 0.35 0.13 -0.16 0.00 0.02 0.00 0.00 56.10 56.44 3maq s TRP 641 Cb 0.19 -1.68 -0.03 0.00 -1.15 0.00 0.00 33.47 30.80 3maq s TRP 641 CO 0.30 0.49 1.06 0.95 0.02 0.00 0.00 176.95 179.77 3maq s THR 642 N -1.78 3.78 0.52 2.01 -4.23 -1.26 -4.80 115.64 109.89 3maq s THR 642 Ca 0.35 0.84 0.17 0.00 -1.18 0.00 0.00 61.69 61.87 3maq s THR 642 Cb -0.11 -3.37 0.28 0.00 1.34 0.00 0.00 72.50 70.64 3maq s THR 642 CO 0.29 -0.50 2.14 -0.65 -0.54 0.00 0.00 174.62 175.35 3maq h PRO 643 N 0.41 0.01 -0.28 3.99 0.11 -1.77 -1.37 132.00 133.09 3maq h PRO 643 Ca -0.47 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3maq h PRO 643 Cb 1.22 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3maq h PRO 643 CO 0.57 0.00 0.11 1.25 -0.21 0.00 0.00 178.00 179.73 3maq h LEU 644 N 0.01 0.39 -0.66 2.35 5.85 -1.71 0.97 115.31 122.51 3maq h LEU 644 Ca 0.02 -0.17 -0.14 0.00 0.84 0.00 0.00 57.88 58.43 3maq h LEU 644 Cb 0.07 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3maq h LEU 644 CO -0.00 0.46 -0.43 0.00 -0.34 0.00 0.00 178.44 178.13 3maq h ALA 645 N 0.95 0.84 -0.30 1.25 0.00 -1.60 -2.45 119.26 117.95 3maq h ALA 645 Ca 0.09 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 3maq h ALA 645 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3maq h ALA 645 CO -0.01 0.65 -0.22 1.96 0.00 0.00 0.00 179.25 181.63 3maq h GLN 646 N 0.44 0.68 -0.33 0.00 4.20 -1.05 -0.97 115.11 118.09 3maq h GLN 646 Ca 0.03 -0.33 -0.17 0.00 0.06 0.00 0.00 58.65 58.25 3maq h GLN 646 Cb 0.93 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 3maq h GLN 646 CO 0.08 0.93 -0.46 0.37 -0.67 0.00 0.00 178.83 179.09 3maq h GLN 647 N 0.42 0.86 -0.44 1.46 4.15 -0.84 -2.39 115.11 118.32 3maq h GLN 647 Ca 0.06 -0.49 -0.01 0.00 0.77 0.00 0.00 58.65 58.98 3maq h GLN 647 Cb 0.77 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.47 3maq h GLN 647 CO 0.06 1.13 0.23 0.35 -1.93 0.00 0.00 178.83 178.67 3maq h PHE 648 N 0.68 0.62 -0.55 3.99 3.57 -1.41 -1.18 116.94 122.65 3maq h PHE 648 Ca 0.04 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3maq h PHE 648 Cb 1.04 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 3maq h PHE 648 CO 0.06 0.48 0.25 0.37 -2.23 0.00 0.00 178.31 177.24 3maq h GLN 649 N 0.58 0.80 -0.26 1.11 4.15 -1.11 0.06 115.11 120.44 3maq h GLN 649 Ca 0.15 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 3maq h GLN 649 Cb 0.07 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 3maq h GLN 649 CO -0.02 0.67 0.09 1.96 -1.93 0.00 0.00 178.83 179.59 3maq h GLN 650 N 0.74 0.39 -0.48 1.69 4.20 -1.19 -1.72 115.11 118.74 3maq h GLN 650 Ca 0.19 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.69 3maq h GLN 650 Cb 0.15 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3maq h GLN 650 CO -0.02 0.45 -0.20 0.93 -0.67 0.00 0.00 178.83 179.32 3maq h GLU 651 N 0.25 0.98 -0.23 1.46 5.08 -1.11 -1.47 114.58 119.54 3maq h GLU 651 Ca 0.08 -0.41 -0.07 0.00 -1.00 0.00 0.00 59.36 57.96 3maq h GLU 651 Cb 0.22 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3maq h GLU 651 CO -0.00 1.09 -0.12 1.25 -1.00 0.00 0.00 179.01 180.22 3maq h LEU 652 N 0.84 0.51 -0.81 1.33 5.85 -0.95 -2.29 115.31 119.78 3maq h LEU 652 Ca 0.11 -0.42 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 3maq h LEU 652 Cb 0.77 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3maq h LEU 652 CO 0.06 0.81 0.13 1.88 -0.34 0.00 0.00 178.44 180.98 3maq h TYR 653 N 0.20 1.07 -0.75 1.25 0.99 -1.34 -1.37 116.97 117.03 3maq h TYR 653 Ca 0.05 -0.13 -0.06 0.00 2.00 0.00 0.00 58.73 60.59 3maq h TYR 653 Cb 0.63 -0.30 -0.03 0.00 1.00 0.00 0.00 36.73 38.02 3maq h TYR 653 CO 0.06 0.89 0.24 1.25 -0.00 0.00 0.00 178.16 180.60 3maq h LEU 654 N 0.97 1.10 -0.34 3.88 5.85 -1.20 0.42 115.31 125.99 3maq h LEU 654 Ca 0.20 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 3maq h LEU 654 Cb 0.38 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3maq h LEU 654 CO 0.01 1.02 -0.13 0.03 -0.34 0.00 0.00 178.44 179.02 3maq h ARG 655 N 1.12 0.68 -0.61 1.25 3.08 -1.05 -1.67 114.38 117.19 3maq h ARG 655 Ca 0.24 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 3maq h ARG 655 Cb 0.31 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3maq h ARG 655 CO -0.01 0.88 0.07 0.82 -1.07 0.00 0.00 179.97 180.66 3maq h ILE 656 N 0.46 1.26 -0.30 2.04 2.04 -1.04 0.26 117.51 122.24 3maq h ILE 656 Ca 0.08 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 3maq h ILE 656 Cb 0.65 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3maq h ILE 656 CO 0.04 0.39 0.09 -0.26 0.00 0.00 0.00 178.15 178.41 3maq h PHE 657 N 0.94 0.42 -0.26 1.37 0.04 -0.06 -1.64 116.94 117.74 3maq h PHE 657 Ca 0.18 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.94 3maq h PHE 657 Cb 0.47 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.49 3maq h PHE 657 CO 0.03 0.35 0.00 0.54 -0.60 0.00 0.00 178.31 178.64 3maq n ARG 658 N -4.39 1.78 -1.83 1.51 1.74 -0.64 -4.91 116.66 109.93 3maq n ARG 658 Ca 0.01 -1.20 -0.20 0.00 -0.77 0.00 0.00 57.85 55.69 3maq n ARG 658 Cb 0.15 -1.34 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 3maq n ARG 658 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3maq n ASN 659 N 0.44 -5.56 -4.92 0.55 3.02 -0.62 -4.99 115.26 103.19 3maq n ASN 659 Ca 0.14 0.35 -0.27 0.00 -0.03 0.00 0.00 54.58 54.77 3maq n ASN 659 Cb 0.32 -4.77 0.03 0.00 -0.61 0.00 0.00 39.78 34.76 3maq n ASN 659 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3maq s GLU 660 N -4.11 2.86 0.43 3.52 2.02 0.83 -4.99 118.70 119.25 3maq s GLU 660 Ca 0.00 -0.01 -0.24 0.00 0.02 0.00 0.00 54.97 54.74 3maq s GLU 660 Cb 0.00 -2.26 -0.08 0.00 0.10 0.00 0.00 34.13 31.89 3maq s GLU 660 CO 0.00 -0.75 1.17 -2.14 0.02 0.00 0.00 175.26 173.56 3maq s PRO 661 N -5.02 3.90 0.00 0.39 0.02 -1.26 -4.46 135.00 128.57 3maq s PRO 661 Ca 0.54 1.81 0.00 0.00 0.02 0.00 0.00 61.00 63.37 3maq s PRO 661 Cb -0.11 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 31.88 3maq s PRO 661 CO 0.45 -0.44 0.00 2.48 -0.33 0.00 0.00 177.00 179.16 3maq n TYR 662 N -0.22 0.00 -0.11 6.54 0.18 -1.26 -4.88 117.16 117.41 3maq n TYR 662 Ca 0.06 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.76 3maq n TYR 662 Cb 0.47 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.44 3maq n TYR 662 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 3maq h GLN 663 N 0.00 0.41 -0.15 -3.48 4.20 -2.00 -1.89 115.11 112.21 3maq h GLN 663 Ca 0.00 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 3maq h GLN 663 Cb 0.00 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3maq h GLN 663 CO 0.00 0.27 -0.27 1.49 -0.67 0.00 0.00 178.83 179.65 3maq h GLU 664 N 0.43 0.27 -0.76 1.46 4.57 -1.99 -2.21 114.58 116.35 3maq h GLU 664 Ca 0.15 -0.10 -0.05 0.00 -1.18 0.00 0.00 59.36 58.18 3maq h GLU 664 Cb 0.02 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 3maq h GLU 664 CO -0.08 0.53 0.28 -0.92 -1.18 0.00 0.00 179.01 177.64 3maq h TYR 665 N 0.24 1.17 -0.24 0.92 3.20 -1.73 0.11 116.97 120.65 3maq h TYR 665 Ca 0.04 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 61.71 3maq h TYR 665 Cb 0.61 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 3maq h TYR 665 CO 0.01 0.90 -0.26 0.28 -1.64 0.00 0.00 178.16 177.45 3maq h VAL 666 N 1.11 1.32 -0.59 1.81 2.07 -1.04 -1.36 116.25 119.55 3maq h VAL 666 Ca 0.25 -1.43 -0.07 0.00 0.82 0.00 0.00 66.70 66.27 3maq h VAL 666 Cb 0.25 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3maq h VAL 666 CO -0.02 0.45 0.10 0.03 0.02 0.00 0.00 177.57 178.15 3maq h ARG 667 N 0.31 0.98 -0.14 1.57 3.08 -1.23 -1.23 114.38 117.71 3maq h ARG 667 Ca 0.04 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 59.75 3maq h ARG 667 Cb 0.82 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 3maq h ARG 667 CO 0.06 0.92 -0.24 1.49 -1.07 0.00 0.00 179.97 181.14 3maq h GLU 668 N 0.88 0.25 -0.15 0.04 4.57 -0.75 -0.24 114.58 119.20 3maq h GLU 668 Ca 0.18 -0.08 -0.12 0.00 -1.18 0.00 0.00 59.36 58.16 3maq h GLU 668 Cb 0.42 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3maq h GLU 668 CO 0.01 0.49 -0.37 1.15 -1.18 0.00 0.00 179.01 179.11 3maq h THR 669 N 0.23 1.36 -0.61 0.32 2.02 -0.86 -1.89 112.91 113.49 3maq h THR 669 Ca 0.04 -1.65 -0.04 0.00 0.77 0.00 0.00 66.41 65.54 3maq h THR 669 Cb 0.56 2.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 3maq h THR 669 CO 0.04 0.50 0.23 0.40 0.37 0.00 0.00 175.52 177.06 3maq h ILE 670 N 0.13 1.23 -0.63 3.11 2.04 -1.01 -1.86 117.51 120.53 3maq h ILE 670 Ca -0.00 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 3maq h ILE 670 Cb 0.98 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3maq h ILE 670 CO 0.08 0.29 0.23 -0.78 0.00 0.00 0.00 178.15 177.97 3maq h ASP 671 N 0.85 0.88 -0.42 1.72 3.58 -1.04 -1.50 116.42 120.50 3maq h ASP 671 Ca 0.20 -0.18 -0.10 0.00 0.42 0.00 0.00 57.03 57.36 3maq h ASP 671 Cb 0.22 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 3maq h ASP 671 CO -0.01 0.83 -0.12 0.11 -2.88 0.00 0.00 179.24 177.16 3maq h LYS 672 N 0.89 0.88 -0.35 0.28 1.57 -1.15 -1.68 116.57 117.00 3maq h LYS 672 Ca 0.21 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 3maq h LYS 672 Cb 0.23 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3maq h LYS 672 CO -0.01 0.95 -0.02 1.25 -0.57 0.00 0.00 179.45 181.04 3maq h LEU 673 N 0.79 0.63 -0.74 2.94 5.85 -1.14 -0.34 115.31 123.30 3maq h LEU 673 Ca 0.13 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3maq h LEU 673 Cb 0.64 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3maq h LEU 673 CO 0.04 0.81 0.00 0.24 -0.34 0.00 0.00 178.44 179.19 3maq h MET 674 N 0.45 0.00 -0.53 1.25 2.86 -1.14 -2.17 114.93 115.64 3maq h MET 674 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3maq h MET 674 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3maq h MET 674 CO 0.02 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.99 3maq n ALA 675 N -1.87 2.42 -2.39 6.32 0.00 -0.64 -4.92 120.51 119.43 3maq n ALA 675 Ca 0.02 -0.97 -0.15 0.00 0.00 0.00 0.00 53.44 52.35 3maq n ALA 675 Cb 0.29 -0.96 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 3maq n ALA 675 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3maq n GLY 676 N 1.39 -0.21 0.29 0.00 0.00 -0.81 -4.92 105.19 100.92 3maq n GLY 676 Ca 0.19 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.07 3maq n GLY 676 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3maq n GLU 677 N -2.53 0.74 -1.53 1.61 1.02 -0.15 -4.42 120.64 115.38 3maq n GLU 677 Ca -0.15 -0.58 -0.14 0.00 -0.02 0.00 0.00 57.16 56.26 3maq n GLU 677 Cb 0.62 -1.49 0.09 0.00 -0.02 0.00 0.00 31.44 30.64 3maq n GLU 677 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3maq n LEU 678 N -0.63 4.27 0.22 -4.62 4.77 -1.24 -4.83 117.00 114.94 3maq n LEU 678 Ca 0.08 -4.45 0.06 0.00 -0.03 0.00 0.00 56.01 51.67 3maq n LEU 678 Cb 0.40 -0.42 0.56 0.00 -2.33 0.00 0.00 43.42 41.63 3maq n LEU 678 CO 0.33 1.85 1.01 0.44 -1.33 0.00 0.00 177.39 179.69 3maq h ASP 679 N 1.77 0.06 0.34 -1.43 5.19 -1.93 -2.21 116.42 118.21 3maq h ASP 679 Ca 0.25 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 3maq h ASP 679 Cb 1.36 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.86 3maq h ASP 679 CO 0.53 0.12 0.00 0.00 -3.12 0.00 0.00 179.24 176.76 3maq n ALA 680 N -2.52 1.32 -0.03 3.45 0.00 -1.26 -2.36 120.51 119.11 3maq n ALA 680 Ca -0.02 0.15 0.10 0.00 0.00 0.00 0.00 53.44 53.67 3maq n ALA 680 Cb 0.15 -1.35 0.24 0.00 0.00 0.00 0.00 19.45 18.49 3maq n ALA 680 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3maq n ARG 681 N -2.26 2.55 -0.55 0.00 1.74 -0.83 -4.59 116.66 112.72 3maq n ARG 681 Ca 0.00 -2.34 0.09 0.00 -0.77 0.00 0.00 57.85 54.82 3maq n ARG 681 Cb 0.12 -1.48 0.32 0.00 -1.02 0.00 0.00 32.46 30.40 3maq n ARG 681 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3maq n LEU 682 N 1.36 4.28 -4.68 0.55 4.32 -1.00 -1.81 117.00 120.03 3maq n LEU 682 Ca 0.19 -2.16 -0.40 0.00 -0.02 0.00 0.00 56.01 53.63 3maq n LEU 682 Cb 0.57 -0.54 -0.05 0.00 -1.62 0.00 0.00 43.42 41.77 3maq n LEU 682 CO 0.14 0.75 0.39 -0.69 -1.22 0.00 0.00 177.39 176.76 3maq s VAL 683 N -1.78 5.02 0.19 4.08 1.01 -1.26 -4.67 120.40 123.00 3maq s VAL 683 Ca 0.46 1.28 -0.16 0.00 0.00 0.00 0.00 61.98 63.56 3maq s VAL 683 Cb 0.29 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.62 3maq s VAL 683 CO 0.23 0.15 0.63 -0.31 0.00 0.00 0.00 175.10 175.80 3maq s TYR 684 N 1.55 3.59 -0.12 5.22 2.02 0.48 -4.47 117.35 125.63 3maq s TYR 684 Ca 0.32 1.19 -0.02 0.00 -0.37 0.00 0.00 57.07 58.18 3maq s TYR 684 Cb -0.16 -2.47 0.04 0.00 -0.40 0.00 0.00 41.96 38.97 3maq s TYR 684 CO 0.12 0.36 0.02 0.50 -1.57 0.00 0.00 175.55 174.98 3maq s ARG 685 N -2.09 0.58 0.01 -0.62 3.52 -1.26 -1.75 118.95 117.35 3maq s ARG 685 Ca 0.41 -0.10 -0.03 0.00 -0.13 0.00 0.00 55.73 55.89 3maq s ARG 685 Cb -0.15 -1.45 -0.01 0.00 -1.56 0.00 0.00 34.95 31.78 3maq s ARG 685 CO 0.20 -0.45 0.04 0.21 -0.81 0.00 0.00 175.30 174.48 3maq s LYS 686 N 1.94 0.34 0.38 5.12 2.20 -0.84 -4.09 119.74 124.78 3maq s LYS 686 Ca 0.03 -0.44 -0.15 0.00 -0.36 0.00 0.00 55.97 55.05 3maq s LYS 686 Cb -0.14 0.13 -0.08 0.00 -1.51 0.00 0.00 37.83 36.22 3maq s LYS 686 CO -0.06 -0.07 0.80 1.03 -0.36 0.00 0.00 175.35 176.69 3maq s ARG 687 N -1.23 3.97 -0.42 4.03 0.52 -1.26 -1.75 118.95 122.81 3maq s ARG 687 Ca -0.13 0.71 -0.12 0.00 -0.52 0.00 0.00 55.73 55.67 3maq s ARG 687 Cb -0.08 -2.35 0.06 0.00 0.52 0.00 0.00 34.95 33.09 3maq s ARG 687 CO 0.00 0.04 0.28 -0.51 0.02 0.00 0.00 175.30 175.12 3maq s LEU 688 N -3.35 5.12 0.00 2.53 1.43 -0.05 -4.91 118.68 119.45 3maq s LEU 688 Ca 0.55 -1.26 0.27 0.00 -1.03 0.00 0.00 54.13 52.67 3maq s LEU 688 Cb -0.10 -2.06 0.97 0.00 0.03 0.00 0.00 46.19 45.04 3maq s LEU 688 CO 0.22 -0.51 1.70 0.54 0.23 0.00 0.00 176.35 178.53 3maq n ARG 689 N 5.03 0.83 -4.20 1.70 1.74 -1.26 -3.16 116.66 117.33 3maq n ARG 689 Ca -0.11 -0.41 -0.19 0.00 -0.77 0.00 0.00 57.85 56.37 3maq n ARG 689 Cb 0.44 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.27 3maq n ARG 689 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3maq s ARG 690 N -2.45 0.90 0.37 5.56 3.52 -1.26 -4.96 118.95 120.63 3maq s ARG 690 Ca 0.27 -1.05 -0.28 0.00 -0.13 0.00 0.00 55.73 54.54 3maq s ARG 690 Cb 0.20 -0.90 -0.10 0.00 -1.56 0.00 0.00 34.95 32.59 3maq s ARG 690 CO 0.49 0.19 1.36 -2.14 -0.81 0.00 0.00 175.30 174.39 3maq s PRO 691 N -2.02 4.16 0.35 5.12 0.02 -1.26 -4.04 135.00 137.33 3maq s PRO 691 Ca 0.02 2.31 0.13 0.00 0.02 0.00 0.00 61.00 63.48 3maq s PRO 691 Cb -0.09 -2.95 0.97 0.00 0.02 0.00 0.00 34.50 32.45 3maq s PRO 691 CO 0.03 -0.39 1.74 1.25 -0.33 0.00 0.00 177.00 179.30 3maq h LEU 692 N 3.06 0.60 0.00 -5.54 5.85 -1.55 -0.36 115.31 117.36 3maq h LEU 692 Ca -0.50 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3maq h LEU 692 Cb 1.24 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3maq h LEU 692 CO 0.64 0.09 0.00 -1.54 -0.34 0.00 0.00 178.44 177.29 3maq n SER 693 N -4.81 0.00 -0.40 1.25 3.41 -1.26 -2.93 113.62 108.88 3maq n SER 693 Ca 0.27 0.39 0.14 0.00 -0.26 0.00 0.00 58.87 59.41 3maq n SER 693 Cb 0.81 -0.46 0.59 0.00 -0.26 0.00 0.00 64.21 64.89 3maq n SER 693 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3maq n GLU 694 N -1.46 1.54 -2.97 4.33 1.02 -0.14 -4.59 120.64 118.37 3maq n GLU 694 Ca 0.06 -0.80 -0.44 0.00 -0.02 0.00 0.00 57.16 55.96 3maq n GLU 694 Cb 0.24 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 3maq n GLU 694 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3maq s TYR 695 N -2.01 2.98 -0.08 -0.32 2.02 -1.15 -4.75 117.35 114.04 3maq s TYR 695 Ca 0.39 -1.04 0.04 0.00 -0.37 0.00 0.00 57.07 56.09 3maq s TYR 695 Cb 0.21 -4.19 -0.08 0.00 -0.40 0.00 0.00 41.96 37.50 3maq s TYR 695 CO 0.34 -1.47 -0.02 1.04 -1.57 0.00 0.00 175.55 173.88 3maq n GLN 696 N 6.73 1.85 -0.03 -0.62 6.02 -1.26 -4.75 117.38 125.32 3maq n GLN 696 Ca 0.06 0.02 -0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3maq n GLN 696 Cb 0.46 -1.18 0.28 0.00 1.02 0.00 0.00 30.24 30.82 3maq n GLN 696 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3maq h ARG 697 N 0.00 0.60 0.00 -1.09 3.08 -1.99 -3.46 114.38 111.51 3maq h ARG 697 Ca -0.19 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3maq h ARG 697 Cb 1.38 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3maq h ARG 697 CO -0.01 0.59 0.31 0.27 -1.07 0.00 0.00 179.97 180.06 3maq n ASN 698 N -4.29 -2.09 -3.91 7.04 6.94 -1.26 -5.14 115.26 112.55 3maq n ASN 698 Ca 0.02 -2.40 -0.30 0.00 -0.02 0.00 0.00 54.58 51.88 3maq n ASN 698 Cb 0.23 3.46 -0.16 0.00 -2.36 0.00 0.00 39.78 40.96 3maq n ASN 698 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3maq s VAL 699 N -2.14 1.46 0.62 3.53 1.01 -1.26 -4.91 120.40 118.71 3maq s VAL 699 Ca 0.16 -1.29 -0.15 0.00 0.00 0.00 0.00 61.98 60.71 3maq s VAL 699 Cb -0.04 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3maq s VAL 699 CO 0.10 -0.20 1.06 -2.84 0.00 0.00 0.00 175.10 173.23 3maq s PRO 700 N 1.41 3.19 0.25 2.72 0.02 -1.26 -4.84 135.00 136.49 3maq s PRO 700 Ca -0.03 1.20 -0.04 0.00 0.02 0.00 0.00 61.00 62.15 3maq s PRO 700 Cb -0.19 -2.01 0.34 0.00 0.02 0.00 0.00 34.50 32.66 3maq s PRO 700 CO -0.08 -0.91 1.89 -1.00 -0.33 0.00 0.00 177.00 176.56 3maq h PRO 701 N 0.24 1.13 -0.45 5.54 0.13 -1.99 0.12 132.00 136.72 3maq h PRO 701 Ca -0.46 -0.07 -0.12 0.00 -0.87 0.00 0.00 66.00 64.48 3maq h PRO 701 Cb 1.22 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3maq h PRO 701 CO 0.57 0.75 -0.20 1.12 -0.23 0.00 0.00 178.00 180.01 3maq h HIS 702 N 1.16 1.02 -0.44 1.56 2.07 -1.96 -1.08 115.15 117.48 3maq h HIS 702 Ca 0.39 -0.23 -0.06 0.00 -2.85 0.00 0.00 60.37 57.62 3maq h HIS 702 Cb 0.07 -0.24 -0.02 0.00 2.57 0.00 0.00 27.41 29.79 3maq h HIS 702 CO -0.01 1.01 0.03 0.28 -3.07 0.00 0.00 177.93 176.17 3maq h VAL 703 N 0.78 1.22 -0.38 6.12 2.07 -1.75 -0.30 116.25 124.02 3maq h VAL 703 Ca 0.11 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.67 3maq h VAL 703 Cb 0.74 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3maq h VAL 703 CO 0.06 0.31 -0.07 -0.09 0.02 0.00 0.00 177.57 177.80 3maq h ARG 704 N 0.67 0.71 -0.20 1.57 2.43 -0.64 -0.73 114.38 118.19 3maq h ARG 704 Ca 0.14 -0.26 -0.09 0.00 -0.81 0.00 0.00 59.98 58.96 3maq h ARG 704 Cb 0.37 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3maq h ARG 704 CO 0.01 0.85 -0.26 0.00 -1.51 0.00 0.00 179.97 179.07 3maq h ALA 705 N 0.84 1.19 -0.37 2.80 0.00 -0.76 -0.48 119.26 122.48 3maq h ALA 705 Ca 0.10 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 3maq h ALA 705 Cb 0.57 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3maq h ALA 705 CO 0.03 0.53 -0.36 0.00 0.00 0.00 0.00 179.25 179.45 3maq h ALA 706 N 1.39 0.54 -0.54 0.00 0.00 -0.87 -1.22 119.26 118.56 3maq h ALA 706 Ca 0.05 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 3maq h ALA 706 Cb 0.64 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3maq h ALA 706 CO 0.05 0.62 0.06 0.00 0.00 0.00 0.00 179.25 179.97 3maq h ARG 707 N 0.70 0.88 -0.51 0.00 3.08 -0.63 -1.37 114.38 116.53 3maq h ARG 707 Ca 0.06 -0.22 -0.09 0.00 0.07 0.00 0.00 59.98 59.80 3maq h ARG 707 Cb 0.95 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 3maq h ARG 707 CO 0.09 0.84 -0.05 1.25 -1.07 0.00 0.00 179.97 181.03 3maq h LEU 708 N 0.82 0.87 -0.57 3.04 5.85 -0.98 -1.57 115.31 122.78 3maq h LEU 708 Ca 0.17 -0.24 -0.16 0.00 0.84 0.00 0.00 57.88 58.48 3maq h LEU 708 Cb 0.41 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3maq h LEU 708 CO 0.01 0.96 -0.67 0.00 -0.34 0.00 0.00 178.44 178.41 3maq h ALA 709 N 1.13 0.77 0.04 1.25 0.00 -0.81 -1.95 119.26 119.69 3maq h ALA 709 Ca 0.14 -0.58 -0.22 0.00 0.00 0.00 0.00 54.91 54.25 3maq h ALA 709 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3maq h ALA 709 CO 0.03 0.77 -1.01 -0.44 0.00 0.00 0.00 179.25 178.61 3maq h ASP 710 N 0.17 0.24 -0.83 0.00 3.32 -1.10 -1.25 116.42 116.97 3maq h ASP 710 Ca -0.01 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 3maq h ASP 710 Cb 1.20 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 3maq h ASP 710 CO 0.10 1.10 0.50 -0.33 -1.72 0.00 0.00 179.24 178.90 3maq h GLU 711 N 0.07 1.12 -0.13 3.56 5.08 -1.25 -1.44 114.58 121.60 3maq h GLU 711 Ca -0.06 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 3maq h GLU 711 Cb 1.70 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 3maq h GLU 711 CO 0.15 0.79 -0.53 1.49 -1.00 0.00 0.00 179.01 179.91 3maq h GLU 712 N 1.14 0.36 -0.61 2.33 4.57 -1.14 -1.92 114.58 119.30 3maq h GLU 712 Ca 0.30 -0.22 -0.10 0.00 -1.18 0.00 0.00 59.36 58.16 3maq h GLU 712 Cb -0.04 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 3maq h GLU 712 CO -0.06 0.81 0.00 -0.91 -1.18 0.00 0.00 179.01 177.67 3maq h ASN 713 N 0.28 1.06 -0.88 1.04 2.35 -0.90 -2.37 115.58 116.16 3maq h ASN 713 Ca 0.01 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.45 3maq h ASN 713 Cb 1.03 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 39.07 3maq h ASN 713 CO 0.09 1.10 0.54 -0.61 -1.65 0.00 0.00 177.43 176.91 3maq h GLN 714 N 0.99 1.19 0.00 0.81 4.15 -1.04 0.12 115.11 121.32 3maq h GLN 714 Ca 0.17 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 3maq h GLN 714 Cb 0.56 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 3maq h GLN 714 CO 0.03 0.82 -0.20 0.87 -1.93 0.00 0.00 178.83 178.42 3maq h LYS 715 N 1.21 0.00 -0.49 1.69 1.57 -1.01 -3.05 116.57 116.48 3maq h LYS 715 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3maq h LYS 715 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3maq h LYS 715 CO -0.06 0.20 0.00 0.54 -0.57 0.00 0.00 179.45 179.56 3maq n ARG 716 N -3.59 2.79 -3.34 3.15 1.74 -0.63 -4.97 116.66 111.80 3maq n ARG 716 Ca -0.01 -2.28 -0.21 0.00 -0.77 0.00 0.00 57.85 54.58 3maq n ARG 716 Cb 0.34 -1.39 0.06 0.00 -1.02 0.00 0.00 32.46 30.46 3maq n ARG 716 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3maq n GLY 717 N 0.96 -0.37 3.54 -0.13 0.00 -0.40 -5.01 105.19 103.79 3maq n GLY 717 Ca 0.17 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 3maq n GLY 717 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3maq s ARG 718 N -6.01 2.01 0.36 1.61 0.52 0.28 -5.03 118.95 112.69 3maq s ARG 718 Ca 0.46 -1.07 -0.28 0.00 -0.52 0.00 0.00 55.73 54.31 3maq s ARG 718 Cb -0.20 -2.24 -0.11 0.00 0.52 0.00 0.00 34.95 32.92 3maq s ARG 718 CO 0.57 0.50 1.46 -1.25 0.02 0.00 0.00 175.30 176.60 3maq s PRO 719 N -2.16 4.16 0.48 3.54 0.04 -1.26 -4.23 135.00 135.58 3maq s PRO 719 Ca 0.20 2.50 -0.23 0.00 0.04 0.00 0.00 61.00 63.52 3maq s PRO 719 Cb -0.11 -2.99 -0.07 0.00 0.04 0.00 0.00 34.50 31.37 3maq s PRO 719 CO 0.12 -0.48 1.23 -0.51 0.04 0.00 0.00 177.00 177.40 3maq s LEU 720 N -1.86 3.97 -0.01 -3.56 1.43 -1.26 -4.96 118.68 112.44 3maq s LEU 720 Ca 0.53 2.45 0.05 0.00 -1.03 0.00 0.00 54.13 56.13 3maq s LEU 720 Cb -0.45 -4.24 -0.07 0.00 0.03 0.00 0.00 46.19 41.45 3maq s LEU 720 CO 0.60 -1.11 0.11 0.00 0.23 0.00 0.00 176.35 176.17 3maq n GLN 721 N -0.64 0.16 -0.14 1.70 6.02 -1.26 -4.79 117.38 118.43 3maq n GLN 721 Ca 0.08 -0.04 0.05 0.00 -0.01 0.00 0.00 57.00 57.08 3maq n GLN 721 Cb 0.47 -1.11 0.12 0.00 1.02 0.00 0.00 30.24 30.73 3maq n GLN 721 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3maq n TYR 722 N -1.67 0.29 0.07 1.08 4.01 -1.26 -4.71 117.16 114.97 3maq n TYR 722 Ca -0.01 -0.68 0.02 0.00 -0.16 0.00 0.00 57.90 57.08 3maq n TYR 722 Cb 0.13 -0.11 0.39 0.00 -0.31 0.00 0.00 39.34 39.43 3maq n TYR 722 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3maq h GLN 723 N 0.86 0.37 -2.08 -0.72 1.08 -1.95 -3.36 115.11 109.30 3maq h GLN 723 Ca 0.00 -0.06 -0.57 0.00 -1.45 0.00 0.00 58.65 56.57 3maq h GLN 723 Cb 0.84 -0.06 -0.40 0.00 -0.05 0.00 0.00 27.48 27.81 3maq h GLN 723 CO 0.04 0.39 -0.90 -1.71 -0.95 0.00 0.00 178.83 175.70 3maq n ASN 724 N -4.34 1.73 -0.38 1.46 5.15 -1.26 -1.86 115.26 115.77 3maq n ASN 724 Ca 0.01 -3.03 0.05 0.00 -0.60 0.00 0.00 54.58 51.00 3maq n ASN 724 Cb 0.20 -0.65 -0.01 0.00 -0.53 0.00 0.00 39.78 38.79 3maq n ASN 724 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3maq n ARG 725 N 1.07 -0.78 0.00 1.20 1.74 -1.26 -4.94 116.66 113.70 3maq n ARG 725 Ca 0.25 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 3maq n ARG 725 Cb 0.49 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 3maq n ARG 725 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3maq n GLY 726 N -2.01 -0.06 3.46 -0.13 0.00 -1.19 -4.75 105.19 100.51 3maq n GLY 726 Ca 0.00 -2.28 -0.33 0.00 0.00 0.00 0.00 46.02 43.41 3maq n GLY 726 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3maq s THR 727 N -0.34 3.46 -0.05 2.61 2.01 -1.26 -0.87 115.64 121.20 3maq s THR 727 Ca 0.00 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.52 3maq s THR 727 Cb 0.00 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 3maq s THR 727 CO 0.00 0.53 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.77 3maq s ILE 728 N 0.09 2.73 -0.15 1.82 1.10 -0.71 -4.99 121.20 121.09 3maq s ILE 728 Ca -0.03 -0.84 -0.03 0.00 -0.51 0.00 0.00 60.65 59.24 3maq s ILE 728 Cb -0.14 -2.05 -0.03 0.00 0.15 0.00 0.00 42.46 40.39 3maq s ILE 728 CO 0.04 0.58 -0.05 -0.54 -2.11 0.00 0.00 174.94 172.86 3maq s LYS 729 N -0.51 3.61 0.17 3.50 1.02 -1.26 -1.99 119.74 124.27 3maq s LYS 729 Ca 0.07 -0.54 -0.10 0.00 0.02 0.00 0.00 55.97 55.42 3maq s LYS 729 Cb -0.11 -2.87 -0.00 0.00 -0.52 0.00 0.00 37.83 34.32 3maq s LYS 729 CO 0.01 0.26 0.32 1.52 -0.92 0.00 0.00 175.35 176.54 3maq s TYR 730 N 0.31 0.31 0.17 3.18 -0.85 -0.71 -0.99 117.35 118.77 3maq s TYR 730 Ca -0.04 -0.68 0.05 0.00 -0.52 0.00 0.00 57.07 55.88 3maq s TYR 730 Cb -0.14 0.01 -0.05 0.00 0.38 0.00 0.00 41.96 42.16 3maq s TYR 730 CO 0.03 -0.74 -0.10 0.14 -1.52 0.00 0.00 175.55 173.36 3maq s VAL 731 N -3.95 1.29 -0.28 -3.49 -7.23 -0.13 -0.38 120.40 106.23 3maq s VAL 731 Ca 0.16 -2.09 -0.13 0.00 -1.81 0.00 0.00 61.98 58.10 3maq s VAL 731 Cb 0.03 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 3maq s VAL 731 CO -0.01 -0.68 0.28 0.86 -0.31 0.00 0.00 175.10 175.25 3maq s TRP 732 N -3.25 3.23 0.56 2.82 -0.11 -1.26 -0.90 118.94 120.03 3maq s TRP 732 Ca 0.19 0.24 0.07 0.00 1.22 0.00 0.00 56.10 57.81 3maq s TRP 732 Cb 0.02 -2.49 0.06 0.00 -1.50 0.00 0.00 33.47 29.56 3maq s TRP 732 CO 0.03 -0.21 0.52 0.95 -4.62 0.00 0.00 176.95 173.62 3maq s THR 733 N 1.92 1.71 -0.73 5.86 -4.23 0.02 -1.45 115.64 118.74 3maq s THR 733 Ca 0.11 -1.36 0.16 0.00 -1.18 0.00 0.00 61.69 59.42 3maq s THR 733 Cb -0.16 -2.07 0.15 0.00 1.34 0.00 0.00 72.50 71.77 3maq s THR 733 CO 0.11 0.00 1.49 0.35 -0.54 0.00 0.00 174.62 176.02 3maq n THR 734 N -1.93 1.12 -0.64 3.99 -2.24 -0.07 -1.17 114.28 113.35 3maq n THR 734 Ca 0.03 0.35 0.07 0.00 -2.27 0.00 0.00 64.05 62.24 3maq n THR 734 Cb 0.64 -1.24 0.23 0.00 -2.10 0.00 0.00 70.33 67.86 3maq n THR 734 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3maq n ASN 735 N -1.84 3.60 0.00 3.42 3.02 -1.26 -5.06 115.26 117.14 3maq n ASN 735 Ca 0.02 -2.57 0.00 0.00 -0.03 0.00 0.00 54.58 52.00 3maq n ASN 735 Cb 0.14 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 3maq n ASN 735 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3maq n GLY 736 N 0.03 -2.00 3.68 7.41 0.00 -0.31 -4.96 105.19 109.03 3maq n GLY 736 Ca 0.18 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 3maq n GLY 736 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3maq s PRO 737 N -0.15 4.20 -0.01 1.61 0.04 -1.26 -0.80 135.00 138.64 3maq s PRO 737 Ca 0.00 2.21 0.05 0.00 0.04 0.00 0.00 61.00 63.30 3maq s PRO 737 Cb 0.00 -3.78 -0.01 0.00 0.04 0.00 0.00 34.50 30.75 3maq s PRO 737 CO 0.00 -0.76 -0.16 -1.21 0.04 0.00 0.00 177.00 174.91 3maq s GLU 738 N 3.25 1.33 0.50 4.56 2.02 -0.07 -4.30 118.70 125.99 3maq s GLU 738 Ca 0.72 -0.58 -0.23 0.00 0.02 0.00 0.00 54.97 54.89 3maq s GLU 738 Cb -0.35 -1.28 -0.06 0.00 0.10 0.00 0.00 34.13 32.53 3maq s GLU 738 CO 0.30 0.35 1.37 -1.25 0.02 0.00 0.00 175.26 176.05 3maq s PRO 739 N -0.38 3.41 0.23 0.39 0.04 -1.26 -0.95 135.00 136.48 3maq s PRO 739 Ca 0.06 2.27 -0.08 0.00 0.04 0.00 0.00 61.00 63.29 3maq s PRO 739 Cb -0.06 -2.43 0.21 0.00 0.04 0.00 0.00 34.50 32.25 3maq s PRO 739 CO -0.01 -0.99 1.90 1.25 0.04 0.00 0.00 177.00 179.20 3maq h LEU 740 N 1.86 0.99 -1.48 -3.56 5.85 -1.37 -2.77 115.31 114.83 3maq h LEU 740 Ca -0.51 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.21 3maq h LEU 740 Cb 1.28 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 3maq h LEU 740 CO 0.59 0.72 0.37 0.44 -0.34 0.00 0.00 178.44 180.21 3maq h ASP 741 N 1.17 0.60 -1.00 1.25 3.32 -1.91 -3.21 116.42 116.64 3maq h ASP 741 Ca 0.32 -0.01 -0.50 0.00 0.02 0.00 0.00 57.03 56.86 3maq h ASP 741 Cb -0.13 -0.14 -0.42 0.00 0.22 0.00 0.00 39.33 38.86 3maq h ASP 741 CO -0.07 0.42 -0.88 -1.22 -1.72 0.00 0.00 179.24 175.77 3maq n TYR 742 N -4.46 2.57 -2.05 4.55 4.01 -1.11 -5.06 117.16 115.61 3maq n TYR 742 Ca 0.06 -2.59 -0.42 0.00 -0.16 0.00 0.00 57.90 54.78 3maq n TYR 742 Cb 0.09 -0.24 -0.03 0.00 -0.31 0.00 0.00 39.34 38.85 3maq n TYR 742 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3maq s GLN 743 N -3.55 4.19 -0.25 -0.72 0.74 -1.06 -4.76 119.66 114.26 3maq s GLN 743 Ca 0.44 2.14 0.02 0.00 0.05 0.00 0.00 55.36 58.00 3maq s GLN 743 Cb 0.40 -3.94 -0.16 0.00 1.10 0.00 0.00 33.01 30.41 3maq s GLN 743 CO -0.05 -0.82 -0.22 0.54 -0.55 0.00 0.00 175.29 174.18 3maq n ARG 744 N 6.97 0.62 -3.56 1.67 1.74 -1.26 -5.02 116.66 117.82 3maq n ARG 744 Ca 0.17 0.15 -0.23 0.00 -0.77 0.00 0.00 57.85 57.17 3maq n ARG 744 Cb 0.43 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.36 3maq n ARG 744 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3maq s SER 745 N -6.45 6.28 0.43 0.55 0.01 -1.26 -5.08 113.70 108.17 3maq s SER 745 Ca -0.34 0.30 -0.24 0.00 1.31 0.00 0.00 55.95 56.99 3maq s SER 745 Cb 0.09 -1.94 -0.08 0.00 0.21 0.00 0.00 66.02 64.30 3maq s SER 745 CO 0.57 -0.24 1.13 -2.16 0.41 0.00 0.00 173.24 172.95 3maq s PRO 746 N -4.21 3.96 0.33 12.44 0.04 -1.26 -4.81 135.00 141.48 3maq s PRO 746 Ca 0.38 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 3maq s PRO 746 Cb -0.09 -2.52 -0.11 0.00 0.04 0.00 0.00 34.50 31.82 3maq s PRO 746 CO 0.34 -0.36 1.49 -0.51 0.04 0.00 0.00 177.00 178.00 3maq s LEU 747 N -2.77 4.35 -0.74 -3.56 1.43 -1.26 -0.89 118.68 115.24 3maq s LEU 747 Ca 0.60 2.92 -0.18 0.00 -1.03 0.00 0.00 54.13 56.43 3maq s LEU 747 Cb -0.27 -3.65 0.13 0.00 0.03 0.00 0.00 46.19 42.43 3maq s LEU 747 CO 0.33 -0.82 0.87 -0.62 0.23 0.00 0.00 176.35 176.35 3maq s ASP 748 N 0.09 6.41 0.43 2.29 2.15 -0.53 -4.65 116.67 122.86 3maq s ASP 748 Ca 0.56 -1.77 0.18 0.00 0.43 0.00 0.00 52.55 51.95 3maq s ASP 748 Cb -0.45 -2.33 0.97 0.00 -0.30 0.00 0.00 42.92 40.81 3maq s ASP 748 CO 0.54 -1.05 1.92 1.88 -0.17 0.00 0.00 175.17 178.29 3maq h TYR 749 N 8.90 0.00 -0.31 -5.34 0.05 -1.92 -2.48 116.97 115.88 3maq h TYR 749 Ca -0.10 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.61 3maq h TYR 749 Cb 1.06 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.78 3maq h TYR 749 CO 0.98 0.26 -0.12 1.49 -1.05 0.00 0.00 178.16 179.72 3maq h GLU 750 N 0.00 0.52 -0.49 4.88 4.57 -1.97 -1.74 114.58 120.35 3maq h GLU 750 Ca -0.00 -0.15 -0.07 0.00 -1.18 0.00 0.00 59.36 57.96 3maq h GLU 750 Cb 0.52 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 3maq h GLU 750 CO 0.03 0.64 0.05 1.25 -1.18 0.00 0.00 179.01 179.81 3maq h HIS 751 N 0.48 0.90 -0.20 0.92 2.76 -1.84 -2.16 115.15 116.02 3maq h HIS 751 Ca 0.09 -0.14 -0.14 0.00 -2.20 0.00 0.00 60.37 57.99 3maq h HIS 751 Cb 0.50 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 3maq h HIS 751 CO 0.02 0.83 -0.45 1.88 -1.30 0.00 0.00 177.93 178.91 3maq h TYR 752 N 0.71 0.59 -0.15 5.26 0.05 -1.43 0.17 116.97 122.17 3maq h TYR 752 Ca 0.15 -0.18 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 3maq h TYR 752 Cb 0.44 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 3maq h TYR 752 CO 0.03 0.86 0.02 1.25 -1.05 0.00 0.00 178.16 179.27 3maq h LEU 753 N 0.40 0.24 -0.08 3.88 5.85 -1.25 -0.51 115.31 123.84 3maq h LEU 753 Ca 0.03 -0.26 -0.24 0.00 0.84 0.00 0.00 57.88 58.24 3maq h LEU 753 Cb 0.94 -0.06 0.02 0.00 0.37 0.00 0.00 40.66 41.93 3maq h LEU 753 CO 0.08 0.44 -0.90 0.74 -0.34 0.00 0.00 178.44 178.47 3maq h THR 754 N 0.03 1.28 0.00 1.05 2.02 -1.38 0.20 112.91 116.11 3maq h THR 754 Ca 0.05 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.13 3maq h THR 754 Cb 0.31 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 3maq h THR 754 CO 0.00 0.66 -1.36 0.54 0.37 0.00 0.00 175.52 175.73 3maq n ARG 755 N -3.91 0.26 -0.01 6.66 5.12 0.58 -4.26 116.66 121.10 3maq n ARG 755 Ca -0.09 -0.07 -0.06 0.00 -1.93 0.00 0.00 57.85 55.70 3maq n ARG 755 Cb 0.81 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 30.59 3maq n ARG 755 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3maq n GLN 756 N -1.78 0.16 -0.04 5.56 1.13 -0.28 -4.68 117.38 117.46 3maq n GLN 756 Ca 0.01 0.07 -0.13 0.00 -1.94 0.00 0.00 57.00 55.00 3maq n GLN 756 Cb 0.42 -0.77 -0.09 0.00 0.11 0.00 0.00 30.24 29.91 3maq n GLN 756 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3maq h LEU 757 N -0.28 0.21 -0.16 1.08 3.38 -1.31 -3.24 115.31 114.99 3maq h LEU 757 Ca -0.10 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.37 3maq h LEU 757 Cb 0.73 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3maq h LEU 757 CO -0.06 0.68 0.05 -0.61 0.09 0.00 0.00 178.44 178.59 3maq h GLN 758 N -0.25 0.13 -0.42 1.13 4.15 -0.77 -2.09 115.11 116.99 3maq h GLN 758 Ca 0.01 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 3maq h GLN 758 Cb 0.63 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 3maq h GLN 758 CO 0.02 0.09 0.12 -1.00 -1.93 0.00 0.00 178.83 176.13 3maq h PRO 759 N 0.13 0.62 -0.35 -2.39 0.13 -1.74 -0.84 132.00 127.55 3maq h PRO 759 Ca 0.07 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 65.05 3maq h PRO 759 Cb 0.04 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.05 3maq h PRO 759 CO -0.07 0.55 0.05 0.28 -0.23 0.00 0.00 178.00 178.58 3maq h VAL 760 N 0.61 1.24 -0.49 1.56 2.07 -1.53 -2.57 116.25 117.13 3maq h VAL 760 Ca 0.14 -0.85 -0.13 0.00 0.82 0.00 0.00 66.70 66.68 3maq h VAL 760 Cb 0.20 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3maq h VAL 760 CO -0.01 0.29 -0.20 0.00 0.02 0.00 0.00 177.57 177.67 3maq h ALA 761 N 0.90 0.71 0.00 1.67 0.00 -1.11 -2.63 119.26 118.80 3maq h ALA 761 Ca 0.11 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3maq h ALA 761 Cb 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3maq h ALA 761 CO 0.01 0.67 0.00 0.39 0.00 0.00 0.00 179.25 180.32 3maq n GLU 762 N -4.11 0.07 0.16 0.00 1.02 -0.34 -1.06 120.64 116.37 3maq n GLU 762 Ca 0.00 0.37 0.03 0.00 -0.02 0.00 0.00 57.16 57.54 3maq n GLU 762 Cb 0.45 -1.65 0.18 0.00 -0.02 0.00 0.00 31.44 30.39 3maq n GLU 762 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3maq h GLY 763 N 1.85 0.00 0.00 0.62 0.00 -1.06 -3.40 103.07 101.07 3maq h GLY 763 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3maq h GLY 763 CO 0.00 0.00 -0.89 4.51 0.00 0.00 0.00 176.54 180.16 3maq n ILE 764 N -3.43 0.00 -0.16 2.60 3.06 -0.74 -4.75 119.36 115.93 3maq n ILE 764 Ca 0.00 0.00 0.09 0.00 -2.50 0.00 0.00 62.75 60.35 3maq n ILE 764 Cb 0.63 -0.74 0.41 0.00 0.54 0.00 0.00 39.64 40.49 3maq n ILE 764 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 3maq h LEU 765 N 0.00 0.55 -1.99 9.51 3.38 -1.31 -2.41 115.31 123.04 3maq h LEU 765 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3maq h LEU 765 Cb 0.89 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 3maq h LEU 765 CO 0.00 0.34 -0.06 -0.65 0.09 0.00 0.00 178.44 178.16 3maq h PRO 766 N 0.62 0.00 0.00 1.13 0.11 -1.78 0.16 132.00 132.24 3maq h PRO 766 Ca 0.32 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.35 3maq h PRO 766 Cb 0.44 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 3maq h PRO 766 CO -0.11 0.06 -0.37 0.74 -0.21 0.00 0.00 178.00 178.12 3maq h PHE 767 N 0.00 0.00 -0.56 0.65 0.04 -1.75 -2.52 116.94 112.80 3maq h PHE 767 Ca -0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.55 3maq h PHE 767 Cb 0.12 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.14 3maq h PHE 767 CO 0.00 0.37 0.17 0.44 -0.60 0.00 0.00 178.31 178.68 3maq n ILE 768 N -3.66 2.73 -3.89 -0.55 -5.35 -0.81 -4.93 119.36 102.89 3maq n ILE 768 Ca -0.01 -2.17 -0.27 0.00 -0.27 0.00 0.00 62.75 60.04 3maq n ILE 768 Cb 0.47 -0.35 0.01 0.00 -1.74 0.00 0.00 39.64 38.03 3maq n ILE 768 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3maq n GLU 769 N -0.80 -4.39 -4.86 6.28 1.02 -0.95 -4.99 120.64 111.96 3maq n GLU 769 Ca 0.38 0.52 -0.27 0.00 -0.02 0.00 0.00 57.16 57.77 3maq n GLU 769 Cb 1.22 -5.06 -0.15 0.00 -0.02 0.00 0.00 31.44 27.44 3maq n GLU 769 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3maq s ASP 770 N -3.97 2.66 -0.08 1.62 -1.08 0.51 -4.99 116.67 111.35 3maq s ASP 770 Ca 0.26 -0.49 0.02 0.00 -0.52 0.00 0.00 52.55 51.82 3maq s ASP 770 Cb -0.14 -0.25 -0.02 0.00 -1.46 0.00 0.00 42.92 41.05 3maq s ASP 770 CO 0.85 0.22 -0.14 0.21 0.52 0.00 0.00 175.17 176.83 3maq s ASN 771 N -0.96 4.00 0.21 -0.34 3.84 -1.26 -3.24 114.94 117.19 3maq s ASN 771 Ca 0.09 -0.25 0.02 0.00 0.21 0.00 0.00 52.86 52.93 3maq s ASN 771 Cb -0.09 -1.13 0.18 0.00 -0.55 0.00 0.00 41.25 39.66 3maq s ASN 771 CO 0.01 0.28 1.51 0.15 -2.79 0.00 0.00 177.10 176.26 3maq h PHE 772 N 5.86 0.38 0.29 0.43 3.57 -1.95 -2.40 116.94 123.13 3maq h PHE 772 Ca -0.38 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 60.95 3maq h PHE 772 Cb 1.18 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.85 3maq h PHE 772 CO 0.50 0.86 -0.14 0.00 -2.23 0.00 0.00 178.31 177.29 3maq h ALA 773 N 1.10 -0.40 -0.65 2.41 0.00 -1.99 -1.08 119.26 118.65 3maq h ALA 773 Ca -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3maq h ALA 773 Cb 1.18 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 3maq h ALA 773 CO 0.10 -0.70 0.27 1.15 0.00 0.00 0.00 179.25 180.08 3maq h THR 774 N -0.45 1.24 0.92 0.00 2.02 -1.98 -1.95 112.91 112.71 3maq h THR 774 Ca -0.04 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 3maq h THR 774 Cb 0.34 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3maq h THR 774 CO 0.07 0.29 -0.49 0.25 0.37 0.00 0.00 175.52 176.01 3maq h LEU 775 N 0.92 -1.20 -0.68 2.58 5.85 -1.24 0.23 115.31 121.77 3maq h LEU 775 Ca 0.22 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.91 3maq h LEU 775 Cb 0.19 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3maq h LEU 775 CO -0.02 -0.80 0.06 0.00 -0.34 0.00 0.00 178.44 177.34 3maq h MET 776 N -1.29 1.08 -0.18 1.25 -0.00 -1.26 -2.52 114.93 112.00 3maq h MET 776 Ca -0.12 -0.31 -0.02 0.00 -0.00 0.00 0.00 59.70 59.25 3maq h MET 776 Cb 1.01 -0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 32.49 3maq h MET 776 CO 0.17 1.01 0.03 1.15 -0.00 0.00 0.00 176.91 179.27 3maq h THR 777 N 1.00 1.10 -0.03 -0.10 2.02 -1.32 0.18 112.91 115.76 3maq h THR 777 Ca 0.19 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.90 3maq h THR 777 Cb 0.49 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3maq h THR 777 CO 0.02 0.13 -0.46 1.23 0.37 0.00 0.00 175.52 176.81 3maq h GLY 778 N 0.46 0.08 0.51 2.16 0.00 -0.52 -3.01 103.07 102.75 3maq h GLY 778 Ca 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3maq h GLY 778 CO -0.00 0.07 -0.08 -1.61 0.00 0.00 0.00 176.54 174.92 3maq h GLN 779 N 0.06 -0.23 -2.61 4.80 4.15 -0.44 -3.52 115.11 117.33 3maq h GLN 779 Ca 0.00 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.56 3maq h GLN 779 Cb 0.84 0.05 -0.08 0.00 0.21 0.00 0.00 27.48 28.50 3maq h GLN 779 CO 0.06 0.17 0.38 -0.51 -1.93 0.00 0.00 178.83 177.01 3maq s LEU 780 N -9.24 -0.24 0.00 -2.39 1.02 -0.16 -5.12 118.68 102.55 3maq s LEU 780 Ca -0.14 -0.43 0.21 0.00 0.02 0.00 0.00 54.13 53.79 3maq s LEU 780 Cb 0.01 2.37 0.16 0.00 0.02 0.00 0.00 46.19 48.76 3maq s LEU 780 CO 0.55 -1.04 1.15 0.49 0.02 0.00 0.00 176.35 177.52