#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqt n ASN 3 N 0.00 0.23 -4.44 1.69 5.03 -1.26 -4.94 115.26 111.57 1gqt n ASN 3 Ca 0.00 1.15 -0.29 0.00 0.87 0.00 0.00 54.58 56.30 1gqt n ASN 3 Cb 0.00 -1.00 0.24 0.00 -1.02 0.00 0.00 39.78 38.00 1gqt n ASN 3 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1gqt n ALA 4 N 1.44 -3.11 -1.52 5.41 0.00 -1.26 -4.97 120.51 116.51 1gqt n ALA 4 Ca 0.19 -1.18 -0.37 0.00 0.00 0.00 0.00 53.44 52.08 1gqt n ALA 4 Cb 0.14 -1.91 0.07 0.00 0.00 0.00 0.00 19.45 17.75 1gqt n ALA 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gqt n GLY 5 N 1.20 -0.29 3.77 0.00 0.00 -1.26 -4.84 105.19 103.77 1gqt n GLY 5 Ca 0.03 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1gqt n GLY 5 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gqt s SER 6 N -1.45 7.15 -0.10 1.61 1.04 -1.26 -4.57 113.70 116.12 1gqt s SER 6 Ca 0.76 2.09 -0.00 0.00 0.48 0.00 0.00 55.95 59.27 1gqt s SER 6 Cb -0.38 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.11 1gqt s SER 6 CO 0.47 -0.21 -0.09 -0.22 0.98 0.00 0.00 173.24 174.18 1gqt s LEU 7 N -1.91 3.03 -0.11 2.42 2.96 -0.19 0.46 118.68 125.33 1gqt s LEU 7 Ca 0.49 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.28 1gqt s LEU 7 Cb -0.26 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 1gqt s LEU 7 CO 0.33 0.27 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.74 1gqt s VAL 8 N -0.23 2.50 -0.17 1.68 1.01 0.58 -1.73 120.40 124.04 1gqt s VAL 8 Ca 0.03 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 1gqt s VAL 8 Cb -0.13 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1gqt s VAL 8 CO 0.03 0.54 -0.06 -0.69 0.00 0.00 0.00 175.10 174.92 1gqt s VAL 9 N 0.37 3.52 -0.11 2.92 1.01 0.01 -0.44 120.40 127.68 1gqt s VAL 9 Ca -0.15 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1gqt s VAL 9 Cb -0.17 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.67 1gqt s VAL 9 CO 0.07 0.48 -0.21 -0.22 0.00 0.00 0.00 175.10 175.22 1gqt s LEU 10 N 0.69 2.01 0.00 3.92 0.20 -0.66 0.10 118.68 124.95 1gqt s LEU 10 Ca -0.03 -0.53 0.00 0.00 0.69 0.00 0.00 54.13 54.26 1gqt s LEU 10 Cb -0.15 -1.33 0.00 0.00 -0.43 0.00 0.00 46.19 44.29 1gqt s LEU 10 CO 0.02 0.11 0.00 0.61 -0.29 0.00 0.00 176.35 176.80 1gqt n GLY 11 N 3.79 -0.54 3.97 7.98 0.00 -0.89 -4.08 105.19 115.41 1gqt n GLY 11 Ca -0.20 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 1gqt n GLY 11 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gqt s SER 12 N -4.00 5.73 -0.02 1.61 1.04 -1.26 -4.45 113.70 112.35 1gqt s SER 12 Ca 0.00 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1gqt s SER 12 Cb 0.00 -1.31 0.03 0.00 0.10 0.00 0.00 66.02 64.84 1gqt s SER 12 CO 0.00 -0.76 0.01 -0.63 0.98 0.00 0.00 173.24 172.85 1gqt s ILE 13 N -2.53 0.06 0.10 -1.02 1.01 -1.26 -1.23 121.20 116.33 1gqt s ILE 13 Ca 0.50 0.14 0.02 0.00 0.00 0.00 0.00 60.65 61.31 1gqt s ILE 13 Cb -0.10 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 42.15 1gqt s ILE 13 CO 0.37 0.11 -0.07 0.20 0.00 0.00 0.00 174.94 175.55 1gqt s ASN 14 N 0.99 1.23 -0.21 3.58 0.01 -0.48 -3.49 114.94 116.57 1gqt s ASN 14 Ca -0.09 -0.98 -0.15 0.00 -0.71 0.00 0.00 52.86 50.93 1gqt s ASN 14 Cb -0.13 0.07 -0.04 0.00 0.41 0.00 0.00 41.25 41.56 1gqt s ASN 14 CO -0.02 -0.42 0.35 0.00 -1.51 0.00 0.00 177.10 175.49 1gqt s ALA 15 N -3.42 3.57 -0.15 0.60 0.00 0.05 -0.46 121.76 121.94 1gqt s ALA 15 Ca 0.11 -0.60 -0.15 0.00 0.00 0.00 0.00 51.96 51.32 1gqt s ALA 15 Cb 0.04 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 1gqt s ALA 15 CO -0.04 -0.28 0.33 -0.51 0.00 0.00 0.00 175.76 175.26 1gqt s ASP 16 N 1.05 6.49 -0.29 0.00 1.01 0.15 -0.75 116.67 124.33 1gqt s ASP 16 Ca 0.17 0.57 -0.03 0.00 0.71 0.00 0.00 52.55 53.97 1gqt s ASP 16 Cb -0.14 -2.20 0.03 0.00 1.01 0.00 0.00 42.92 41.61 1gqt s ASP 16 CO 0.07 0.08 0.01 -1.00 0.21 0.00 0.00 175.17 174.54 1gqt s HIS 17 N 0.49 3.17 -0.15 4.23 3.76 0.38 -1.85 115.29 125.32 1gqt s HIS 17 Ca 0.18 -1.54 0.02 0.00 -0.15 0.00 0.00 55.06 53.57 1gqt s HIS 17 Cb -0.13 -2.14 0.01 0.00 1.11 0.00 0.00 32.58 31.43 1gqt s HIS 17 CO 0.05 -0.73 -0.21 0.42 -0.85 0.00 0.00 174.74 173.42 1gqt s ILE 18 N 1.34 2.04 -0.23 0.60 1.01 -0.20 -0.09 121.20 125.66 1gqt s ILE 18 Ca -0.02 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.70 1gqt s ILE 18 Cb -0.18 -1.81 0.05 0.00 0.01 0.00 0.00 42.46 40.53 1gqt s ILE 18 CO -0.01 0.54 -0.12 -0.22 0.00 0.00 0.00 174.94 175.13 1gqt s LEU 19 N 0.91 2.89 0.11 2.97 2.96 -0.03 -0.90 118.68 127.59 1gqt s LEU 19 Ca -0.05 -1.13 -0.29 0.00 -0.22 0.00 0.00 54.13 52.44 1gqt s LEU 19 Cb -0.15 -1.45 -0.06 0.00 0.50 0.00 0.00 46.19 45.03 1gqt s LEU 19 CO -0.04 -0.14 0.93 0.20 -1.32 0.00 0.00 176.35 175.98 1gqt s ASN 20 N 1.22 7.47 0.36 3.68 -0.87 0.89 -2.29 114.94 125.39 1gqt s ASN 20 Ca -0.04 1.75 -0.02 0.00 -1.57 0.00 0.00 52.86 52.99 1gqt s ASN 20 Cb -0.18 -2.57 0.01 0.00 -0.02 0.00 0.00 41.25 38.49 1gqt s ASN 20 CO -0.07 -0.03 0.50 0.00 -2.57 0.00 0.00 177.10 174.92 1gqt n LEU 21 N 2.67 0.00 -0.06 0.60 -0.00 -0.54 0.12 117.00 119.79 1gqt n LEU 21 Ca 0.01 -2.96 -0.06 0.00 -0.00 0.00 0.00 56.01 53.00 1gqt n LEU 21 Cb 0.49 2.60 -0.05 0.00 -0.00 0.00 0.00 43.42 46.46 1gqt n LEU 21 CO 0.50 -0.67 0.04 -0.61 -0.00 0.00 0.00 177.39 176.65 1gqt h GLN 22 N 0.00 0.00 -5.14 1.47 5.75 -1.86 -2.05 115.11 113.28 1gqt h GLN 22 Ca -0.28 0.00 -0.49 0.00 -0.15 0.00 0.00 58.65 57.73 1gqt h GLN 22 Cb 1.23 0.00 -0.30 0.00 1.07 0.00 0.00 27.48 29.48 1gqt h GLN 22 CO 0.38 0.36 -0.81 -1.12 -2.65 0.00 0.00 178.83 174.98 1gqt s SER 23 N -5.85 1.69 0.29 -0.69 0.01 -1.26 -0.32 113.70 107.56 1gqt s SER 23 Ca -0.09 -0.27 -0.29 0.00 1.31 0.00 0.00 55.95 56.62 1gqt s SER 23 Cb -0.00 -0.32 -0.14 0.00 0.21 0.00 0.00 66.02 65.77 1gqt s SER 23 CO 0.27 0.14 1.13 0.49 0.41 0.00 0.00 173.24 175.68 1gqt n PHE 24 N 2.96 1.61 -1.69 2.43 3.72 -1.26 -4.87 117.46 120.36 1gqt n PHE 24 Ca -0.16 0.64 -0.43 0.00 -0.05 0.00 0.00 57.45 57.45 1gqt n PHE 24 Cb 0.54 -2.31 -0.01 0.00 -0.94 0.00 0.00 39.48 36.76 1gqt n PHE 24 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1gqt n PRO 25 N 0.89 2.11 -3.44 -1.08 -0.02 -1.26 -5.01 135.00 127.19 1gqt n PRO 25 Ca 0.09 0.74 -0.24 0.00 -2.02 0.00 0.00 63.50 62.07 1gqt n PRO 25 Cb 0.32 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 1gqt n PRO 25 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1gqt s THR 26 N -0.89 5.12 0.42 3.45 -1.32 -1.26 -4.95 115.64 116.20 1gqt s THR 26 Ca 0.58 -0.43 -0.24 0.00 -1.21 0.00 0.00 61.69 60.39 1gqt s THR 26 Cb -0.58 -3.84 -0.11 0.00 -1.51 0.00 0.00 72.50 66.46 1gqt s THR 26 CO 0.60 -0.49 0.87 -2.65 -2.21 0.00 0.00 174.62 170.75 1gqt n PRO 27 N -1.57 1.09 -0.47 7.08 -0.02 -1.26 0.14 135.00 139.99 1gqt n PRO 27 Ca -0.05 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1gqt n PRO 27 Cb 0.56 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1gqt n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gqt n GLY 28 N 1.37 0.00 3.88 -1.23 0.00 -1.26 -4.94 105.19 103.01 1gqt n GLY 28 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1gqt n GLY 28 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gqt s GLU 29 N -0.95 3.73 -0.13 1.61 2.12 0.37 -5.09 118.70 120.37 1gqt s GLU 29 Ca 0.00 0.34 -0.00 0.00 0.36 0.00 0.00 54.97 55.67 1gqt s GLU 29 Cb 0.00 -2.45 0.03 0.00 0.26 0.00 0.00 34.13 31.97 1gqt s GLU 29 CO 0.00 0.01 -0.09 0.99 -0.54 0.00 0.00 175.26 175.63 1gqt s THR 30 N -2.33 1.14 0.07 -1.70 2.01 -1.26 -4.68 115.64 108.89 1gqt s THR 30 Ca 0.49 -0.39 0.09 0.00 0.31 0.00 0.00 61.69 62.20 1gqt s THR 30 Cb -0.10 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1gqt s THR 30 CO 0.32 0.36 -0.24 0.68 -0.69 0.00 0.00 174.62 175.05 1gqt s VAL 31 N 1.66 2.38 -0.14 3.82 -7.23 -1.26 -5.08 120.40 114.55 1gqt s VAL 31 Ca 0.05 -1.44 -0.15 0.00 -1.81 0.00 0.00 61.98 58.63 1gqt s VAL 31 Cb -0.13 -1.99 -0.05 0.00 0.56 0.00 0.00 36.38 34.77 1gqt s VAL 31 CO -0.09 0.27 0.33 -0.89 -0.31 0.00 0.00 175.10 174.42 1gqt s THR 32 N -0.92 5.27 0.73 5.32 2.01 -1.26 -5.05 115.64 121.74 1gqt s THR 32 Ca 0.13 0.64 -0.02 0.00 0.31 0.00 0.00 61.69 62.75 1gqt s THR 32 Cb -0.10 -3.67 0.12 0.00 0.01 0.00 0.00 72.50 68.87 1gqt s THR 32 CO 0.04 0.39 1.01 -0.83 -0.69 0.00 0.00 174.62 174.54 1gqt s GLY 33 N 0.39 1.76 -0.01 4.40 0.00 -1.26 -4.77 107.32 107.84 1gqt s GLY 33 Ca 0.19 -1.63 0.10 0.00 0.00 0.00 0.00 44.72 43.38 1gqt s GLY 33 CO 0.06 -1.07 0.36 1.16 0.00 0.00 0.00 173.10 173.60 1gqt n ASN 34 N -2.88 1.24 -3.72 1.64 0.23 0.12 -4.96 115.26 106.92 1gqt n ASN 34 Ca 0.14 -0.47 -0.13 0.00 -0.53 0.00 0.00 54.58 53.59 1gqt n ASN 34 Cb 0.60 1.17 -0.10 0.00 -2.08 0.00 0.00 39.78 39.38 1gqt n ASN 34 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1gqt s HIS 35 N -2.24 -0.45 0.03 -2.53 5.04 -1.18 -4.99 115.29 108.97 1gqt s HIS 35 Ca 0.01 1.06 0.04 0.00 -1.54 0.00 0.00 55.06 54.64 1gqt s HIS 35 Cb 0.07 0.16 -0.02 0.00 0.04 0.00 0.00 32.58 32.84 1gqt s HIS 35 CO 0.43 -0.25 -0.13 -0.47 -2.34 0.00 0.00 174.74 171.97 1gqt s TYR 36 N 0.04 1.17 -0.18 3.88 5.04 -1.26 -0.08 117.35 125.96 1gqt s TYR 36 Ca -0.02 -0.32 -0.13 0.00 -2.44 0.00 0.00 57.07 54.17 1gqt s TYR 36 Cb -0.03 -0.71 0.06 0.00 0.35 0.00 0.00 41.96 41.63 1gqt s TYR 36 CO 0.01 0.02 0.46 -1.14 -1.34 0.00 0.00 175.55 173.56 1gqt s GLN 37 N -0.92 0.49 -0.20 4.97 0.74 -0.08 -4.99 119.66 119.67 1gqt s GLN 37 Ca 0.02 0.78 -0.07 0.00 0.05 0.00 0.00 55.36 56.13 1gqt s GLN 37 Cb -0.07 0.11 -0.04 0.00 1.10 0.00 0.00 33.01 34.12 1gqt s GLN 37 CO 0.01 -0.12 0.07 0.08 -0.55 0.00 0.00 175.29 174.77 1gqt s VAL 38 N 0.95 4.63 0.20 1.34 1.01 -1.26 -1.03 120.40 126.23 1gqt s VAL 38 Ca -0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 1gqt s VAL 38 Cb -0.06 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1gqt s VAL 38 CO -0.08 0.42 0.30 0.00 0.00 0.00 0.00 175.10 175.74 1gqt s ALA 39 N 0.79 0.26 0.22 5.51 0.00 -0.77 -4.98 121.76 122.79 1gqt s ALA 39 Ca 0.03 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.58 1gqt s ALA 39 Cb -0.14 1.07 -0.08 0.00 0.00 0.00 0.00 23.12 23.97 1gqt s ALA 39 CO 0.02 -0.69 0.93 -0.06 0.00 0.00 0.00 175.76 175.96 1gqt s PHE 40 N -4.04 3.96 0.00 0.00 0.08 -1.26 0.33 117.98 117.05 1gqt s PHE 40 Ca 0.25 1.88 0.00 0.00 0.12 0.00 0.00 56.93 59.18 1gqt s PHE 40 Cb 0.03 -2.97 0.00 0.00 -0.57 0.00 0.00 43.02 39.51 1gqt s PHE 40 CO 0.06 0.43 0.00 0.41 -0.10 0.00 0.00 175.22 176.02 1gqt n GLY 41 N 1.61 4.19 0.00 4.36 0.00 0.39 -2.90 105.19 112.83 1gqt n GLY 41 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1gqt n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gqt n GLY 42 N 0.00 0.05 0.33 -0.02 0.00 -1.26 -1.38 105.19 102.91 1gqt n GLY 42 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1gqt n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqt h LYS 43 N 0.00 1.01 -0.22 1.61 1.57 -1.98 0.48 116.57 119.04 1gqt h LYS 43 Ca 0.00 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1gqt h LYS 43 Cb 0.00 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1gqt h LYS 43 CO 0.00 0.67 -0.09 0.78 -0.57 0.00 0.00 179.45 180.24 1gqt h GLY 44 N 1.04 0.50 0.92 3.86 0.00 -1.81 -1.43 103.07 106.16 1gqt h GLY 44 Ca 0.37 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1gqt h GLY 44 CO -0.15 0.40 0.12 0.00 0.00 0.00 0.00 176.54 176.91 1gqt h ALA 45 N 0.72 0.46 -0.51 3.60 0.00 -0.57 0.65 119.26 123.61 1gqt h ALA 45 Ca 0.05 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1gqt h ALA 45 Cb 0.58 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1gqt h ALA 45 CO 0.03 0.08 0.28 -0.91 0.00 0.00 0.00 179.25 178.73 1gqt h ASN 46 N 0.42 0.43 -0.29 0.00 2.35 -0.01 0.62 115.58 119.10 1gqt h ASN 46 Ca 0.11 0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.76 1gqt h ASN 46 Cb 0.22 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1gqt h ASN 46 CO -0.01 0.30 -0.25 1.56 -1.65 0.00 0.00 177.43 177.39 1gqt h GLN 47 N 0.55 0.78 -0.78 0.81 4.20 -1.03 0.01 115.11 119.64 1gqt h GLN 47 Ca 0.21 -0.32 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1gqt h GLN 47 Cb 0.08 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 1gqt h GLN 47 CO -0.12 0.94 0.34 0.00 -0.67 0.00 0.00 178.83 179.32 1gqt h ALA 48 N 1.05 1.12 -0.14 3.87 0.00 -0.36 -0.46 119.26 124.34 1gqt h ALA 48 Ca 0.09 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 1gqt h ALA 48 Cb 0.76 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1gqt h ALA 48 CO 0.06 0.64 -0.76 0.28 0.00 0.00 0.00 179.25 179.48 1gqt h VAL 49 N 1.13 1.30 -0.69 0.00 2.07 -0.63 -0.74 116.25 118.69 1gqt h VAL 49 Ca 0.27 -2.01 -0.07 0.00 0.82 0.00 0.00 66.70 65.71 1gqt h VAL 49 Cb 0.17 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1gqt h VAL 49 CO -0.03 0.63 0.17 0.00 0.02 0.00 0.00 177.57 178.36 1gqt h ALA 50 N 0.67 0.99 -0.20 1.67 0.00 -0.66 0.49 119.26 122.22 1gqt h ALA 50 Ca -0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1gqt h ALA 50 Cb 1.37 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1gqt h ALA 50 CO 0.15 0.65 -0.03 0.00 0.00 0.00 0.00 179.25 180.02 1gqt h ALA 51 N 1.13 0.28 -0.05 0.00 0.00 -1.00 -1.99 119.26 117.62 1gqt h ALA 51 Ca 0.22 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1gqt h ALA 51 Cb 0.36 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1gqt h ALA 51 CO 0.00 0.04 0.02 0.78 0.00 0.00 0.00 179.25 180.09 1gqt h GLY 52 N 0.12 0.08 1.96 0.00 0.00 -0.89 -0.03 103.07 104.31 1gqt h GLY 52 Ca 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 1gqt h GLY 52 CO 0.02 0.04 -0.28 3.21 0.00 0.00 0.00 176.54 179.53 1gqt h ARG 53 N -0.04 0.05 0.00 4.80 3.08 -0.94 -1.72 114.38 119.60 1gqt h ARG 53 Ca 0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1gqt h ARG 53 Cb 0.13 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1gqt h ARG 53 CO -0.00 0.33 0.00 0.45 -1.07 0.00 0.00 179.97 179.68 1gqt n SER 54 N -4.19 0.36 0.00 7.04 2.88 -0.75 -0.30 113.62 118.66 1gqt n SER 54 Ca -0.02 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1gqt n SER 54 Cb 0.34 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1gqt n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gqt n GLY 55 N 1.28 0.98 3.63 0.46 0.00 -0.65 -4.60 105.19 106.28 1gqt n GLY 55 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1gqt n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqt s ALA 56 N -2.00 0.90 -0.67 4.61 0.00 -0.11 -4.97 121.76 119.53 1gqt s ALA 56 Ca 0.00 0.20 -0.16 0.00 0.00 0.00 0.00 51.96 52.00 1gqt s ALA 56 Cb 0.00 -3.32 0.15 0.00 0.00 0.00 0.00 23.12 19.95 1gqt s ALA 56 CO 0.00 -2.97 0.67 -0.80 0.00 0.00 0.00 175.76 172.66 1gqt s ASN 57 N -2.82 6.39 -0.01 0.00 0.01 -1.26 -4.73 114.94 112.51 1gqt s ASN 57 Ca 0.66 -2.00 0.05 0.00 -0.71 0.00 0.00 52.86 50.86 1gqt s ASN 57 Cb -0.22 -2.24 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 1gqt s ASN 57 CO 0.60 -0.85 -0.15 -0.51 -1.51 0.00 0.00 177.10 174.68 1gqt s ILE 58 N 1.49 1.17 0.06 0.60 -1.16 -1.26 -1.03 121.20 121.07 1gqt s ILE 58 Ca 0.11 -0.65 0.09 0.00 -0.51 0.00 0.00 60.65 59.70 1gqt s ILE 58 Cb -0.21 -0.98 -0.03 0.00 0.61 0.00 0.00 42.46 41.85 1gqt s ILE 58 CO -0.01 0.31 -0.25 0.00 -2.81 0.00 0.00 174.94 172.18 1gqt s ALA 59 N -0.37 2.19 -0.21 1.50 0.00 -0.70 -0.90 121.76 123.25 1gqt s ALA 59 Ca 0.06 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.74 1gqt s ALA 59 Cb -0.06 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.66 1gqt s ALA 59 CO -0.00 0.51 -0.14 0.12 0.00 0.00 0.00 175.76 176.24 1gqt s PHE 60 N -0.87 2.95 -0.30 0.00 5.36 -0.86 -0.81 117.98 123.45 1gqt s PHE 60 Ca 0.11 -1.73 -0.16 0.00 -0.96 0.00 0.00 56.93 54.20 1gqt s PHE 60 Cb -0.10 -1.96 -0.03 0.00 -0.34 0.00 0.00 43.02 40.59 1gqt s PHE 60 CO 0.03 -0.79 0.40 0.42 -1.46 0.00 0.00 175.22 173.82 1gqt s ILE 61 N 1.27 5.14 0.10 3.12 1.01 0.29 -3.31 121.20 128.82 1gqt s ILE 61 Ca 0.01 0.41 -0.27 0.00 0.00 0.00 0.00 60.65 60.80 1gqt s ILE 61 Cb -0.15 -3.78 0.08 0.00 0.01 0.00 0.00 42.46 38.62 1gqt s ILE 61 CO -0.09 0.03 1.06 0.00 0.00 0.00 0.00 174.94 175.94 1gqt s ALA 62 N 2.12 -1.83 -0.07 9.38 0.00 -1.09 -2.09 121.76 128.19 1gqt s ALA 62 Ca 0.15 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.43 1gqt s ALA 62 Cb -0.16 0.55 0.02 0.00 0.00 0.00 0.00 23.12 23.53 1gqt s ALA 62 CO 0.11 -1.04 -0.08 0.00 0.00 0.00 0.00 175.76 174.75 1gqt s THR 64 N 0.96 2.03 0.14 0.00 -4.23 -0.15 -4.19 115.64 110.19 1gqt s THR 64 Ca -0.10 -1.55 -0.01 0.00 -1.18 0.00 0.00 61.69 58.85 1gqt s THR 64 Cb -0.15 -2.58 0.03 0.00 1.34 0.00 0.00 72.50 71.14 1gqt s THR 64 CO 0.00 0.00 0.19 0.61 -0.54 0.00 0.00 174.62 174.88 1gqt n GLY 65 N -1.53 0.09 1.86 3.99 0.00 -1.26 -1.37 105.19 106.96 1gqt n GLY 65 Ca -0.01 -1.87 -0.19 0.00 0.00 0.00 0.00 46.02 43.94 1gqt n GLY 65 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gqt n ASP 66 N -3.04 4.23 -3.63 1.61 5.68 -0.95 -4.44 116.55 116.00 1gqt n ASP 66 Ca 0.03 -3.73 -0.11 0.00 -0.50 0.00 0.00 54.79 50.47 1gqt n ASP 66 Cb 0.10 -0.75 0.04 0.00 -1.14 0.00 0.00 41.12 39.38 1gqt n ASP 66 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1gqt n ASP 67 N -1.05 1.12 0.06 -1.12 5.68 -1.26 -4.98 116.55 114.99 1gqt n ASP 67 Ca 0.50 -1.83 -0.10 0.00 -0.50 0.00 0.00 54.79 52.85 1gqt n ASP 67 Cb 1.17 -0.27 0.02 0.00 -1.14 0.00 0.00 41.12 40.90 1gqt n ASP 67 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1gqt h SER 68 N -0.02 0.44 -0.77 -1.12 0.02 -2.00 -2.86 113.55 107.24 1gqt h SER 68 Ca -0.16 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.47 1gqt h SER 68 Cb 0.71 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 1gqt h SER 68 CO 0.22 1.06 0.46 -0.29 -1.14 0.00 0.00 176.83 177.14 1gqt h ILE 69 N 0.24 1.22 -0.41 3.27 6.09 -1.96 -0.48 117.51 125.48 1gqt h ILE 69 Ca -0.04 -0.49 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 1gqt h ILE 69 Cb 1.37 0.14 -0.02 0.00 0.47 0.00 0.00 36.82 38.78 1gqt h ILE 69 CO 0.13 0.23 0.26 1.23 -3.07 0.00 0.00 178.15 176.94 1gqt h GLY 70 N 1.09 0.58 1.02 8.18 0.00 -1.77 0.28 103.07 112.46 1gqt h GLY 70 Ca 0.28 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 1gqt h GLY 70 CO -0.05 0.22 0.10 -2.09 0.00 0.00 0.00 176.54 174.72 1gqt h GLU 71 N 0.55 0.93 -0.72 4.80 4.57 -1.35 -2.09 114.58 121.26 1gqt h GLU 71 Ca 0.15 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1gqt h GLU 71 Cb -0.04 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 1gqt h GLU 71 CO -0.03 0.89 0.40 0.77 -1.18 0.00 0.00 179.01 179.86 1gqt h SER 72 N 0.83 0.89 -0.36 1.04 0.02 -0.52 -2.20 113.55 113.25 1gqt h SER 72 Ca 0.17 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 1gqt h SER 72 Cb 0.41 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1gqt h SER 72 CO 0.01 0.73 -0.18 1.62 -1.14 0.00 0.00 176.83 177.87 1gqt h VAL 73 N 0.99 1.27 -0.52 2.27 3.04 -0.80 -1.44 116.25 121.05 1gqt h VAL 73 Ca 0.25 -1.29 -0.01 0.00 -1.01 0.00 0.00 66.70 64.65 1gqt h VAL 73 Cb 0.03 1.12 -0.02 0.00 -2.01 0.00 0.00 31.29 30.41 1gqt h VAL 73 CO -0.04 0.44 0.30 0.03 -1.01 0.00 0.00 177.57 177.29 1gqt h ARG 74 N 0.73 0.72 -0.78 4.17 3.08 -1.22 0.13 114.38 121.20 1gqt h ARG 74 Ca 0.11 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1gqt h ARG 74 Cb 0.69 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 1gqt h ARG 74 CO 0.05 0.54 0.35 0.37 -1.07 0.00 0.00 179.97 180.21 1gqt h GLN 75 N 0.70 1.14 -0.36 0.04 4.15 -1.23 -2.17 115.11 117.38 1gqt h GLN 75 Ca 0.19 -0.18 -0.12 0.00 0.77 0.00 0.00 58.65 59.31 1gqt h GLN 75 Cb 0.01 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1gqt h GLN 75 CO -0.03 0.90 -0.23 0.37 -1.93 0.00 0.00 178.83 177.91 1gqt h GLN 76 N 1.11 0.79 -0.90 1.69 5.75 -0.74 -3.10 115.11 119.71 1gqt h GLN 76 Ca 0.27 -0.37 0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1gqt h GLN 76 Cb 0.16 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.65 1gqt h GLN 76 CO -0.03 1.00 0.60 -0.07 -2.65 0.00 0.00 178.83 177.67 1gqt h LEU 77 N 0.58 1.04 -1.65 -2.39 3.38 -0.59 -1.24 115.31 114.44 1gqt h LEU 77 Ca 0.07 -0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.22 1gqt h LEU 77 Cb 0.79 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 1gqt h LEU 77 CO 0.06 0.76 0.58 0.00 0.09 0.00 0.00 178.44 179.93 1gqt h ALA 78 N 1.33 2.34 -0.00 1.53 0.00 -1.31 -0.12 119.26 123.02 1gqt h ALA 78 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1gqt h ALA 78 Cb -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1gqt h ALA 78 CO -0.07 -0.60 -0.13 0.25 0.00 0.00 0.00 179.25 178.70 1gqt n THR 79 N -4.45 0.00 -0.29 0.00 -2.24 -0.48 -3.47 114.28 103.35 1gqt n THR 79 Ca 0.18 -0.03 -0.05 0.00 -2.27 0.00 0.00 64.05 61.88 1gqt n THR 79 Cb 0.72 -0.20 0.19 0.00 -2.10 0.00 0.00 70.33 68.94 1gqt n THR 79 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1gqt n ASP 80 N -1.23 3.76 -2.59 3.42 8.00 -0.06 -4.88 116.55 122.97 1gqt n ASP 80 Ca 0.11 -2.79 -0.21 0.00 0.71 0.00 0.00 54.79 52.62 1gqt n ASP 80 Cb 0.30 -0.66 0.02 0.00 -0.02 0.00 0.00 41.12 40.75 1gqt n ASP 80 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1gqt n ASN 81 N -0.04 -5.79 -4.50 -2.24 5.15 -1.23 -3.76 115.26 102.86 1gqt n ASN 81 Ca 0.27 -0.16 -0.34 0.00 -0.60 0.00 0.00 54.58 53.75 1gqt n ASN 81 Cb 1.03 -4.70 -0.12 0.00 -0.53 0.00 0.00 39.78 35.46 1gqt n ASN 81 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1gqt s ILE 82 N -3.08 3.65 -0.44 -1.44 1.01 -1.23 -4.52 121.20 115.15 1gqt s ILE 82 Ca 0.16 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 1gqt s ILE 82 Cb -0.07 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 39.86 1gqt s ILE 82 CO 0.20 0.53 1.31 -0.62 0.00 0.00 0.00 174.94 176.36 1gqt s ASP 83 N -0.00 6.43 0.00 3.58 2.15 -0.08 -4.41 116.67 124.34 1gqt s ASP 83 Ca -0.01 0.67 0.18 0.00 0.43 0.00 0.00 52.55 53.83 1gqt s ASP 83 Cb -0.14 -2.54 0.51 0.00 -0.30 0.00 0.00 42.92 40.45 1gqt s ASP 83 CO 0.03 -1.38 1.42 2.30 -0.17 0.00 0.00 175.17 177.37 1gqt n ILE 84 N 7.00 0.65 -0.26 4.11 -5.35 -1.26 -2.04 119.36 122.21 1gqt n ILE 84 Ca 0.15 -0.69 0.06 0.00 -0.27 0.00 0.00 62.75 61.99 1gqt n ILE 84 Cb 0.48 0.44 0.19 0.00 -1.74 0.00 0.00 39.64 39.02 1gqt n ILE 84 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1gqt h THR 85 N 3.25 0.60 -0.28 7.28 2.02 -1.90 0.64 112.91 124.52 1gqt h THR 85 Ca 0.00 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 1gqt h THR 85 Cb 0.74 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 1gqt h THR 85 CO 0.00 0.07 0.11 -0.81 0.37 0.00 0.00 175.52 175.25 1gqt n PRO 86 N -5.06 2.02 -3.20 6.66 -0.04 -1.26 -4.73 135.00 129.38 1gqt n PRO 86 Ca 0.15 -1.14 -0.43 0.00 -0.04 0.00 0.00 63.50 62.04 1gqt n PRO 86 Cb 0.45 -1.63 -0.08 0.00 -0.04 0.00 0.00 33.50 32.20 1gqt n PRO 86 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1gqt s VAL 87 N -1.46 4.94 0.27 0.52 1.01 0.22 -2.65 120.40 123.25 1gqt s VAL 87 Ca 0.20 -0.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 1gqt s VAL 87 Cb 0.16 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 1gqt s VAL 87 CO 0.05 -0.55 0.74 -0.44 0.00 0.00 0.00 175.10 174.90 1gqt s SER 88 N 2.00 6.97 -0.42 3.32 0.01 0.12 -4.92 113.70 120.78 1gqt s SER 88 Ca 0.17 1.39 -0.14 0.00 1.31 0.00 0.00 55.95 58.69 1gqt s SER 88 Cb -0.16 -2.41 0.04 0.00 0.21 0.00 0.00 66.02 63.70 1gqt s SER 88 CO 0.16 -0.06 0.30 -0.69 0.41 0.00 0.00 173.24 173.35 1gqt s VAL 89 N -1.70 4.99 -0.45 3.43 1.01 -1.26 -0.98 120.40 125.44 1gqt s VAL 89 Ca 0.48 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 1gqt s VAL 89 Cb -0.14 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.41 1gqt s VAL 89 CO 0.20 -0.38 0.65 -0.63 0.00 0.00 0.00 175.10 174.94 1gqt s ILE 90 N 1.62 4.81 0.41 2.22 -1.09 -0.47 -4.93 121.20 123.77 1gqt s ILE 90 Ca 0.04 0.04 -0.25 0.00 -2.23 0.00 0.00 60.65 58.24 1gqt s ILE 90 Cb -0.21 -4.23 -0.08 0.00 -1.58 0.00 0.00 42.46 36.36 1gqt s ILE 90 CO 0.08 -0.65 1.24 -0.54 -1.23 0.00 0.00 174.94 173.84 1gqt s LYS 91 N 2.84 3.97 0.00 2.79 1.02 -1.26 -2.82 119.74 126.29 1gqt s LYS 91 Ca 0.22 2.01 0.00 0.00 0.02 0.00 0.00 55.97 58.22 1gqt s LYS 91 Cb -0.15 -2.70 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 1gqt s LYS 91 CO 0.18 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.58 1gqt n GLY 92 N 0.66 1.40 3.55 -3.33 0.00 -1.26 -4.98 105.19 101.22 1gqt n GLY 92 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1gqt n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gqt s GLU 93 N -0.25 1.95 0.25 1.61 0.41 -1.13 -5.03 118.70 116.52 1gqt s GLU 93 Ca 0.00 -1.49 0.02 0.00 -0.41 0.00 0.00 54.97 53.09 1gqt s GLU 93 Cb 0.00 -2.01 -0.04 0.00 -1.78 0.00 0.00 34.13 30.31 1gqt s GLU 93 CO 0.00 0.38 0.42 -1.54 -0.49 0.00 0.00 175.26 174.03 1gqt s SER 94 N -3.26 6.34 0.55 -0.19 1.04 -1.26 -2.25 113.70 114.67 1gqt s SER 94 Ca 0.28 0.30 -0.20 0.00 0.48 0.00 0.00 55.95 56.81 1gqt s SER 94 Cb -0.07 -1.96 -0.05 0.00 0.10 0.00 0.00 66.02 64.04 1gqt s SER 94 CO 0.16 -0.12 1.20 -0.89 0.98 0.00 0.00 173.24 174.57 1gqt s THR 95 N -2.03 2.76 0.64 2.02 2.01 -1.26 -1.12 115.64 118.66 1gqt s THR 95 Ca 0.37 0.50 -0.18 0.00 0.31 0.00 0.00 61.69 62.70 1gqt s THR 95 Cb -0.10 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 1gqt s THR 95 CO 0.31 -0.07 1.05 0.61 -0.69 0.00 0.00 174.62 175.82 1gqt n GLY 96 N 0.46 -0.13 3.02 4.40 0.00 -1.23 -4.71 105.19 107.00 1gqt n GLY 96 Ca 0.12 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 1gqt n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gqt s VAL 97 N -1.54 0.64 -0.06 1.61 1.01 -0.66 -0.77 120.40 120.63 1gqt s VAL 97 Ca 0.78 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1gqt s VAL 97 Cb -0.39 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.43 1gqt s VAL 97 CO 0.45 0.10 -0.16 0.00 0.00 0.00 0.00 175.10 175.49 1gqt s ALA 98 N -0.36 1.52 -0.22 5.51 0.00 0.07 -0.63 121.76 127.65 1gqt s ALA 98 Ca 0.02 -0.61 -0.09 0.00 0.00 0.00 0.00 51.96 51.27 1gqt s ALA 98 Cb -0.04 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1gqt s ALA 98 CO -0.00 0.20 0.11 -0.51 0.00 0.00 0.00 175.76 175.57 1gqt s LEU 99 N 0.39 3.94 -0.07 0.00 1.43 0.98 -0.47 118.68 124.89 1gqt s LEU 99 Ca -0.12 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1gqt s LEU 99 Cb -0.15 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.05 1gqt s LEU 99 CO 0.04 0.10 -0.09 -0.63 0.23 0.00 0.00 176.35 176.00 1gqt s ILE 100 N 0.84 0.95 -0.15 -0.59 1.01 0.87 -1.45 121.20 122.67 1gqt s ILE 100 Ca 0.06 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.31 1gqt s ILE 100 Cb -0.13 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1gqt s ILE 100 CO 0.02 0.32 0.02 -0.36 0.00 0.00 0.00 174.94 174.95 1gqt s PHE 101 N 0.90 3.18 -0.20 3.97 0.08 -0.71 -0.85 117.98 124.36 1gqt s PHE 101 Ca -0.11 0.02 -0.01 0.00 0.12 0.00 0.00 56.93 56.95 1gqt s PHE 101 Cb -0.15 -1.98 0.01 0.00 -0.57 0.00 0.00 43.02 40.34 1gqt s PHE 101 CO 0.01 0.20 -0.13 0.08 -0.10 0.00 0.00 175.22 175.28 1gqt s VAL 102 N 0.03 2.59 0.77 -0.44 1.01 -0.97 -0.59 120.40 122.81 1gqt s VAL 102 Ca 0.04 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.08 1gqt s VAL 102 Cb -0.13 -2.16 0.18 0.00 0.00 0.00 0.00 36.38 34.27 1gqt s VAL 102 CO 0.02 0.45 1.02 -0.46 0.00 0.00 0.00 175.10 176.13 1gqt n ASN 103 N 4.68 -0.03 -0.04 3.32 0.23 0.15 -1.47 115.26 122.10 1gqt n ASN 103 Ca -0.19 -1.35 0.05 0.00 -0.53 0.00 0.00 54.58 52.56 1gqt n ASN 103 Cb 0.50 -0.79 0.42 0.00 -2.08 0.00 0.00 39.78 37.83 1gqt n ASN 103 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1gqt h GLY 104 N -1.40 0.64 1.98 4.83 0.00 0.10 -1.16 103.07 108.06 1gqt h GLY 104 Ca -0.33 -0.23 -0.20 0.00 0.00 0.00 0.00 47.33 46.57 1gqt h GLY 104 CO 0.23 0.21 -0.94 1.05 0.00 0.00 0.00 176.54 177.10 1gqt h GLU 105 N 0.58 0.02 0.00 4.80 4.11 -1.89 -3.48 114.58 118.73 1gqt h GLU 105 Ca 0.19 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.60 1gqt h GLU 105 Cb 0.04 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1gqt h GLU 105 CO -0.05 0.94 0.00 0.41 0.07 0.00 0.00 179.01 180.38 1gqt n GLY 106 N 1.14 1.53 3.80 1.06 0.00 -0.44 -5.03 105.19 107.26 1gqt n GLY 106 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1gqt n GLY 106 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gqt s GLU 107 N -0.14 4.33 0.15 1.61 2.12 -1.26 -4.63 118.70 120.87 1gqt s GLU 107 Ca 0.00 1.21 0.05 0.00 0.36 0.00 0.00 54.97 56.59 1gqt s GLU 107 Cb 0.00 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 31.95 1gqt s GLU 107 CO 0.00 0.05 -0.11 0.54 -0.54 0.00 0.00 175.26 175.20 1gqt s ASN 108 N -1.96 1.88 0.01 -1.70 4.22 -1.26 -0.67 114.94 115.45 1gqt s ASN 108 Ca 0.58 -0.99 0.02 0.00 -2.14 0.00 0.00 52.86 50.34 1gqt s ASN 108 Cb -0.13 -0.03 -0.01 0.00 1.28 0.00 0.00 41.25 42.36 1gqt s ASN 108 CO 0.17 -0.29 -0.08 -0.69 -2.04 0.00 0.00 177.10 174.17 1gqt s VAL 109 N -3.14 0.62 -0.03 3.54 1.01 0.25 -5.00 120.40 117.64 1gqt s VAL 109 Ca 0.16 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1gqt s VAL 109 Cb 0.01 -0.55 0.03 0.00 0.00 0.00 0.00 36.38 35.87 1gqt s VAL 109 CO 0.01 0.07 -0.00 -0.63 0.00 0.00 0.00 175.10 174.56 1gqt s ILE 110 N -0.40 0.22 -0.05 2.22 1.01 -1.26 -1.73 121.20 121.21 1gqt s ILE 110 Ca 0.01 0.08 0.05 0.00 0.00 0.00 0.00 60.65 60.78 1gqt s ILE 110 Cb -0.04 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 42.09 1gqt s ILE 110 CO -0.00 0.16 -0.18 -0.83 0.00 0.00 0.00 174.94 174.10 1gqt s GLY 111 N 1.12 1.45 0.00 6.18 0.00 -0.53 -4.97 107.32 110.58 1gqt s GLY 111 Ca -0.08 -1.01 0.05 0.00 0.00 0.00 0.00 44.72 43.67 1gqt s GLY 111 CO -0.02 -0.77 -0.16 -0.42 0.00 0.00 0.00 173.10 171.73 1gqt s ILE 112 N -0.62 1.25 -0.23 0.90 1.01 -1.26 -0.01 121.20 122.23 1gqt s ILE 112 Ca 0.09 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 1gqt s ILE 112 Cb -0.11 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.32 1gqt s ILE 112 CO 0.01 0.28 -0.07 -2.28 0.00 0.00 0.00 174.94 172.88 1gqt s HIS 113 N -0.47 2.98 0.23 3.97 5.65 0.19 -5.01 115.29 122.83 1gqt s HIS 113 Ca 0.05 -1.32 -0.04 0.00 0.25 0.00 0.00 55.06 54.00 1gqt s HIS 113 Cb -0.06 -2.06 0.24 0.00 -1.18 0.00 0.00 32.58 29.52 1gqt s HIS 113 CO -0.00 -0.67 1.71 0.00 -0.65 0.00 0.00 174.74 175.13 1gqt h ALA 114 N 8.05 1.00 -0.16 1.58 0.00 -1.95 -1.76 119.26 126.03 1gqt h ALA 114 Ca -0.38 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1gqt h ALA 114 Cb 1.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1gqt h ALA 114 CO 0.60 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.87 1gqt n GLY 115 N -0.54 2.66 0.31 0.00 0.00 -1.26 -1.48 105.19 104.88 1gqt n GLY 115 Ca 0.02 -0.02 0.17 0.00 0.00 0.00 0.00 46.02 46.20 1gqt n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqt h ALA 116 N -0.16 1.37 -0.13 4.61 0.00 -1.41 -1.35 119.26 122.19 1gqt h ALA 116 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1gqt h ALA 116 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1gqt h ALA 116 CO 0.00 0.00 0.11 -0.91 0.00 0.00 0.00 179.25 178.45 1gqt h ASN 117 N 0.00 0.00 0.73 0.00 2.35 -1.43 0.34 115.58 117.58 1gqt h ASN 117 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1gqt h ASN 117 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1gqt h ASN 117 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 1gqt n ALA 118 N -2.48 2.03 1.24 -0.83 0.00 -0.51 -2.66 120.51 117.29 1gqt n ALA 118 Ca 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1gqt n ALA 118 Cb 0.23 -1.36 0.40 0.00 0.00 0.00 0.00 19.45 18.72 1gqt n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gqt n ALA 119 N -1.48 3.07 -2.03 0.00 0.00 0.12 -4.76 120.51 115.43 1gqt n ALA 119 Ca 0.06 -0.38 -0.28 0.00 0.00 0.00 0.00 53.44 52.84 1gqt n ALA 119 Cb 0.25 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 1gqt n ALA 119 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1gqt s LEU 120 N -2.54 3.18 0.45 0.00 0.20 -1.09 -4.92 118.68 113.96 1gqt s LEU 120 Ca 0.24 -0.47 0.08 0.00 0.69 0.00 0.00 54.13 54.66 1gqt s LEU 120 Cb 0.19 -2.55 0.00 0.00 -0.43 0.00 0.00 46.19 43.40 1gqt s LEU 120 CO 0.53 -2.72 0.48 -0.94 -0.29 0.00 0.00 176.35 173.41 1gqt s SER 121 N 8.16 5.19 0.39 3.68 1.04 -1.26 -4.52 113.70 126.39 1gqt s SER 121 Ca 0.70 -0.71 0.06 0.00 0.48 0.00 0.00 55.95 56.49 1gqt s SER 121 Cb -0.08 -0.41 0.79 0.00 0.10 0.00 0.00 66.02 66.42 1gqt s SER 121 CO 0.03 -0.80 2.02 -0.65 0.98 0.00 0.00 173.24 174.82 1gqt h PRO 122 N 0.80 0.56 -0.80 4.02 0.11 -1.91 -2.06 132.00 132.73 1gqt h PRO 122 Ca -0.39 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.71 1gqt h PRO 122 Cb 1.28 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 1gqt h PRO 122 CO 0.52 0.41 0.49 0.00 -0.21 0.00 0.00 178.00 179.22 1gqt h ALA 123 N 1.69 1.07 -0.31 -0.75 0.00 -1.96 -0.24 119.26 118.75 1gqt h ALA 123 Ca 0.15 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1gqt h ALA 123 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1gqt h ALA 123 CO -0.03 0.26 -0.28 -0.07 0.00 0.00 0.00 179.25 179.14 1gqt h LEU 124 N 0.93 0.64 -0.35 0.00 3.38 -1.75 -2.10 115.31 116.07 1gqt h LEU 124 Ca 0.33 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1gqt h LEU 124 Cb 0.09 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1gqt h LEU 124 CO -0.14 0.90 -0.14 0.58 0.09 0.00 0.00 178.44 179.72 1gqt h VAL 125 N 0.54 1.28 -0.19 1.22 2.07 -1.08 -2.85 116.25 117.25 1gqt h VAL 125 Ca 0.07 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 1gqt h VAL 125 Cb 0.76 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1gqt h VAL 125 CO 0.06 0.41 0.01 -0.08 0.02 0.00 0.00 177.57 177.98 1gqt h GLU 126 N 0.50 0.28 0.00 1.57 4.57 -0.90 0.21 114.58 120.81 1gqt h GLU 126 Ca 0.08 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1gqt h GLU 126 Cb 0.67 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1gqt h GLU 126 CO 0.05 0.30 -0.06 0.00 -1.18 0.00 0.00 179.01 178.12 1gqt h ALA 127 N 1.74 1.05 -0.56 2.92 0.00 -1.14 -1.37 119.26 121.90 1gqt h ALA 127 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1gqt h ALA 127 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1gqt h ALA 127 CO 0.00 0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.37 1gqt n GLN 128 N -3.24 3.94 -0.07 0.00 1.13 0.72 -4.72 117.38 115.15 1gqt n GLN 128 Ca -0.00 -2.70 -0.07 0.00 -1.94 0.00 0.00 57.00 52.29 1gqt n GLN 128 Cb 0.28 -2.00 -0.01 0.00 0.11 0.00 0.00 30.24 28.62 1gqt n GLN 128 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1gqt h ARG 129 N 3.66 -0.11 -0.44 -1.09 2.43 -0.94 -1.02 114.38 116.87 1gqt h ARG 129 Ca 0.00 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1gqt h ARG 129 Cb 1.56 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 31.09 1gqt h ARG 129 CO 0.32 -0.07 0.18 1.49 -1.51 0.00 0.00 179.97 180.37 1gqt h GLU 130 N -0.11 0.35 -0.61 0.20 4.57 -1.84 -1.33 114.58 115.82 1gqt h GLU 130 Ca 0.15 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.32 1gqt h GLU 130 Cb 0.34 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 1gqt h GLU 130 CO -0.35 0.23 0.40 -0.09 -1.18 0.00 0.00 179.01 178.01 1gqt h ARG 131 N 0.36 0.78 -0.40 1.92 2.43 -1.75 -0.51 114.38 117.20 1gqt h ARG 131 Ca 0.20 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.17 1gqt h ARG 131 Cb 0.17 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1gqt h ARG 131 CO -0.18 0.51 -0.36 0.82 -1.51 0.00 0.00 179.97 179.25 1gqt h ILE 132 N 0.80 1.27 -0.06 1.20 2.04 -0.91 -2.52 117.51 119.34 1gqt h ILE 132 Ca 0.23 -1.53 -0.06 0.00 1.00 0.00 0.00 64.86 64.50 1gqt h ILE 132 Cb -0.07 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1gqt h ILE 132 CO -0.06 0.51 -0.24 0.00 0.00 0.00 0.00 178.15 178.37 1gqt h ALA 133 N 0.79 1.50 0.00 1.87 0.00 -0.84 -2.86 119.26 119.71 1gqt h ALA 133 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1gqt h ALA 133 Cb 0.95 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1gqt h ALA 133 CO 0.09 0.36 -0.65 0.09 0.00 0.00 0.00 179.25 179.15 1gqt n ASN 134 N -4.22 0.69 -4.81 0.00 3.02 -0.24 -4.79 115.26 104.91 1gqt n ASN 134 Ca -0.02 0.10 -0.32 0.00 -0.03 0.00 0.00 54.58 54.31 1gqt n ASN 134 Cb 0.32 0.20 0.04 0.00 -0.61 0.00 0.00 39.78 39.72 1gqt n ASN 134 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gqt s ALA 135 N -3.17 2.67 -0.06 5.41 0.00 -0.96 -4.83 121.76 120.83 1gqt s ALA 135 Ca 0.06 0.24 0.12 0.00 0.00 0.00 0.00 51.96 52.39 1gqt s ALA 135 Cb 0.13 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.99 1gqt s ALA 135 CO 0.73 -1.09 1.31 0.77 0.00 0.00 0.00 175.76 177.48 1gqt h SER 136 N -0.23 0.00 -5.08 0.00 0.02 -0.29 -3.43 113.55 104.53 1gqt h SER 136 Ca -0.45 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.42 1gqt h SER 136 Cb 1.22 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.61 1gqt h SER 136 CO 0.57 0.70 -0.20 0.00 -1.14 0.00 0.00 176.83 176.75 1gqt s ALA 137 N -2.86 -0.70 -0.11 3.77 0.00 -0.94 -1.91 121.76 119.00 1gqt s ALA 137 Ca 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 1gqt s ALA 137 Cb 0.08 0.50 0.03 0.00 0.00 0.00 0.00 23.12 23.73 1gqt s ALA 137 CO 0.78 -0.52 -0.04 -1.17 0.00 0.00 0.00 175.76 174.81 1gqt s LEU 138 N -2.51 1.05 -0.15 0.00 2.96 0.50 -0.31 118.68 120.22 1gqt s LEU 138 Ca 0.00 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1gqt s LEU 138 Cb 0.01 -0.70 -0.02 0.00 0.50 0.00 0.00 46.19 45.99 1gqt s LEU 138 CO -0.08 -0.17 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.47 1gqt s LEU 139 N 1.80 2.87 0.17 -0.68 2.96 0.42 -0.64 118.68 125.58 1gqt s LEU 139 Ca 0.04 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 1gqt s LEU 139 Cb -0.13 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 1gqt s LEU 139 CO -0.07 0.13 0.17 -0.04 -1.32 0.00 0.00 176.35 175.23 1gqt s MET 140 N 0.55 1.13 0.00 1.98 -1.94 -0.44 -1.65 119.30 118.93 1gqt s MET 140 Ca -0.06 -1.43 0.00 0.00 -1.71 0.00 0.00 55.69 52.49 1gqt s MET 140 Cb -0.15 0.30 0.00 0.00 2.01 0.00 0.00 34.83 36.99 1gqt s MET 140 CO 0.03 -0.38 0.00 1.04 -0.01 0.00 0.00 175.02 175.70 1gqt n GLN 141 N -0.21 0.44 -0.73 2.03 3.00 -1.26 -0.81 117.38 119.84 1gqt n GLN 141 Ca -0.03 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.00 1gqt n GLN 141 Cb 0.64 0.00 0.19 0.00 0.00 0.00 0.00 30.24 31.07 1gqt n GLN 141 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1gqt n LEU 142 N 0.00 2.85 -1.12 1.08 4.77 0.41 -4.49 117.00 120.50 1gqt n LEU 142 Ca 0.00 -3.94 0.11 0.00 -0.03 0.00 0.00 56.01 52.16 1gqt n LEU 142 Cb 0.00 -0.50 0.26 0.00 -2.33 0.00 0.00 43.42 40.85 1gqt n LEU 142 CO 0.00 1.45 0.73 1.21 -1.33 0.00 0.00 177.39 179.44 1gqt n GLU 143 N -1.05 2.44 -4.44 3.23 2.13 -1.25 -4.34 120.64 117.35 1gqt n GLU 143 Ca 0.21 -2.20 -0.24 0.00 0.66 0.00 0.00 57.16 55.59 1gqt n GLU 143 Cb 0.72 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.82 1gqt n GLU 143 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1gqt s SER 144 N -1.32 3.42 0.27 4.31 0.01 -1.26 -4.73 113.70 114.40 1gqt s SER 144 Ca 0.40 -0.99 -0.31 0.00 1.31 0.00 0.00 55.95 56.36 1gqt s SER 144 Cb 0.22 -0.27 -0.12 0.00 0.21 0.00 0.00 66.02 66.06 1gqt s SER 144 CO 0.31 0.03 1.61 -2.65 0.41 0.00 0.00 173.24 172.95 1gqt n PRO 145 N -0.40 2.65 -0.24 12.44 -0.02 -1.26 -4.82 135.00 143.35 1gqt n PRO 145 Ca -0.07 0.95 0.05 0.00 -2.02 0.00 0.00 63.50 62.40 1gqt n PRO 145 Cb 0.59 -2.74 0.17 0.00 -0.02 0.00 0.00 33.50 31.50 1gqt n PRO 145 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1gqt h LEU 146 N 5.25 0.01 -1.25 2.45 5.85 -1.95 -0.38 115.31 125.30 1gqt h LEU 146 Ca -0.46 0.14 0.23 0.00 0.84 0.00 0.00 57.88 58.63 1gqt h LEU 146 Cb 1.22 0.19 -0.10 0.00 0.37 0.00 0.00 40.66 42.35 1gqt h LEU 146 CO 0.83 -0.03 0.63 -0.33 -0.34 0.00 0.00 178.44 179.21 1gqt h GLU 147 N 0.27 0.51 0.14 1.25 3.07 -1.96 -1.63 114.58 116.23 1gqt h GLU 147 Ca 0.40 -0.03 -0.28 0.00 -0.50 0.00 0.00 59.36 58.94 1gqt h GLU 147 Cb 0.66 -0.11 0.02 0.00 -0.84 0.00 0.00 28.75 28.47 1gqt h GLU 147 CO -0.49 0.34 -1.25 0.77 -1.40 0.00 0.00 179.01 176.97 1gqt h SER 148 N 0.52 0.59 -0.81 1.42 0.02 -1.34 -2.30 113.55 111.65 1gqt h SER 148 Ca 0.57 -0.60 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 1gqt h SER 148 Cb 1.24 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.55 1gqt h SER 148 CO -0.32 1.45 0.36 0.58 -1.14 0.00 0.00 176.83 177.76 1gqt h VAL 149 N 0.14 1.26 -0.50 2.27 2.07 -1.14 -0.17 116.25 120.18 1gqt h VAL 149 Ca -0.16 -0.77 -0.13 0.00 0.82 0.00 0.00 66.70 66.46 1gqt h VAL 149 Cb 1.95 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1gqt h VAL 149 CO 0.22 0.32 -0.20 -0.03 0.02 0.00 0.00 177.57 177.90 1gqt h MET 150 N 1.17 1.01 -0.56 1.57 -1.53 -1.31 -0.24 114.93 115.05 1gqt h MET 150 Ca 0.28 -0.42 -0.10 0.00 -3.44 0.00 0.00 59.70 56.01 1gqt h MET 150 Cb 0.17 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.16 1gqt h MET 150 CO -0.03 1.10 -0.04 0.00 0.14 0.00 0.00 176.91 178.08 1gqt h ALA 151 N 0.89 0.77 -0.60 0.39 0.00 -0.99 -1.04 119.26 118.67 1gqt h ALA 151 Ca 0.12 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1gqt h ALA 151 Cb 0.78 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1gqt h ALA 151 CO 0.06 0.64 0.08 0.00 0.00 0.00 0.00 179.25 180.03 1gqt h ALA 152 N 0.95 0.79 -0.81 0.00 0.00 -0.85 -2.33 119.26 117.02 1gqt h ALA 152 Ca 0.15 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1gqt h ALA 152 Cb 0.60 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1gqt h ALA 152 CO 0.04 0.56 0.40 0.00 0.00 0.00 0.00 179.25 180.25 1gqt h ALA 153 N 1.01 1.04 -0.43 0.00 0.00 -0.70 -0.22 119.26 119.97 1gqt h ALA 153 Ca 0.18 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1gqt h ALA 153 Cb 0.44 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1gqt h ALA 153 CO 0.01 0.59 -0.19 0.87 0.00 0.00 0.00 179.25 180.53 1gqt h LYS 154 N 1.14 0.83 -0.13 0.00 1.57 -1.02 0.11 116.57 119.07 1gqt h LYS 154 Ca 0.28 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1gqt h LYS 154 Cb 0.09 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1gqt h LYS 154 CO -0.04 0.95 0.02 0.82 -0.57 0.00 0.00 179.45 180.64 1gqt h ILE 155 N 0.73 1.21 -0.66 1.86 2.04 -0.96 -2.10 117.51 119.64 1gqt h ILE 155 Ca 0.11 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1gqt h ILE 155 Cb 0.71 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 1gqt h ILE 155 CO 0.05 0.20 0.38 0.00 0.00 0.00 0.00 178.15 178.78 1gqt h ALA 156 N 0.81 0.84 -0.15 1.87 0.00 -0.81 -2.23 119.26 119.58 1gqt h ALA 156 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1gqt h ALA 156 Cb 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1gqt h ALA 156 CO 0.00 0.34 0.07 1.25 0.00 0.00 0.00 179.25 180.91 1gqt h HIS 157 N 0.90 0.23 0.00 0.00 -0.00 -0.68 0.32 115.15 115.91 1gqt h HIS 157 Ca 0.23 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 1gqt h HIS 157 Cb 0.01 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.35 1gqt h HIS 157 CO -0.01 0.27 0.00 1.96 -0.00 0.00 0.00 177.93 180.15 1gqt h GLN 158 N 0.12 0.00 -0.19 5.26 1.08 -1.17 -2.17 115.11 118.04 1gqt h GLN 158 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1gqt h GLN 158 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1gqt h GLN 158 CO -0.01 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.96 1gqt n ASN 159 N -2.83 2.96 -2.94 1.46 3.02 -0.37 -4.94 115.26 111.62 1gqt n ASN 159 Ca -0.02 -2.52 -0.22 0.00 -0.03 0.00 0.00 54.58 51.79 1gqt n ASN 159 Cb 0.10 -0.32 0.03 0.00 -0.61 0.00 0.00 39.78 38.98 1gqt n ASN 159 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1gqt n LYS 160 N -0.35 -4.35 -3.04 3.52 5.02 0.42 -4.92 118.16 114.46 1gqt n LYS 160 Ca 0.13 0.91 -0.40 0.00 -2.02 0.00 0.00 58.31 56.93 1gqt n LYS 160 Cb 0.58 -5.74 -0.05 0.00 -0.02 0.00 0.00 35.03 29.80 1gqt n LYS 160 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1gqt s THR 161 N -3.15 5.03 0.15 -0.18 2.01 0.85 -4.99 115.64 115.37 1gqt s THR 161 Ca 0.26 1.43 -0.31 0.00 0.31 0.00 0.00 61.69 63.38 1gqt s THR 161 Cb -0.12 -4.04 -0.11 0.00 0.01 0.00 0.00 72.50 68.25 1gqt s THR 161 CO 0.32 0.21 1.71 -0.63 -0.69 0.00 0.00 174.62 175.55 1gqt s ILE 162 N 1.07 2.45 -0.39 1.82 1.01 -0.80 -4.24 121.20 122.12 1gqt s ILE 162 Ca 0.37 0.18 -0.15 0.00 0.00 0.00 0.00 60.65 61.05 1gqt s ILE 162 Cb -0.17 -3.12 0.01 0.00 0.01 0.00 0.00 42.46 39.19 1gqt s ILE 162 CO 0.17 0.01 0.34 -0.69 0.00 0.00 0.00 174.94 174.76 1gqt s VAL 163 N 1.86 5.20 -0.22 2.92 1.01 -1.26 -0.37 120.40 129.53 1gqt s VAL 163 Ca 0.76 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 1gqt s VAL 163 Cb -0.46 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.02 1gqt s VAL 163 CO 0.33 -0.24 -0.05 0.00 0.00 0.00 0.00 175.10 175.14 1gqt s ALA 164 N 1.88 2.77 -0.16 5.51 0.00 0.18 -0.48 121.76 131.46 1gqt s ALA 164 Ca 0.08 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.83 1gqt s ALA 164 Cb -0.18 -1.67 0.01 0.00 0.00 0.00 0.00 23.12 21.27 1gqt s ALA 164 CO 0.11 -0.50 -0.18 -1.17 0.00 0.00 0.00 175.76 174.03 1gqt s LEU 165 N 1.44 2.30 -0.50 0.00 2.96 -0.11 -1.33 118.68 123.43 1gqt s LEU 165 Ca 0.05 -0.55 -0.15 0.00 -0.22 0.00 0.00 54.13 53.25 1gqt s LEU 165 Cb -0.15 -1.51 0.10 0.00 0.50 0.00 0.00 46.19 45.13 1gqt s LEU 165 CO -0.04 0.06 0.44 0.21 -1.32 0.00 0.00 176.35 175.70 1gqt s ASN 166 N 0.95 6.15 -1.57 3.68 3.04 0.01 -2.40 114.94 124.79 1gqt s ASN 166 Ca -0.03 -1.56 -0.11 0.00 0.04 0.00 0.00 52.86 51.20 1gqt s ASN 166 Cb -0.15 -2.19 -0.07 0.00 -1.54 0.00 0.00 41.25 37.31 1gqt s ASN 166 CO -0.04 -0.75 2.81 -0.81 -3.04 0.00 0.00 177.10 175.28 1gqt n PRO 167 N 5.21 3.50 -4.21 0.43 -0.04 -1.26 -3.73 135.00 134.90 1gqt n PRO 167 Ca -0.13 -2.24 -0.16 0.00 -0.04 0.00 0.00 63.50 60.92 1gqt n PRO 167 Cb 0.42 -2.87 -0.14 0.00 -0.04 0.00 0.00 33.50 30.87 1gqt n PRO 167 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gqt s ALA 168 N 2.40 0.63 1.05 0.55 0.00 -1.26 -4.22 121.76 120.91 1gqt s ALA 168 Ca 0.65 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.03 1gqt s ALA 168 Cb 0.17 -0.10 0.22 0.00 0.00 0.00 0.00 23.12 23.41 1gqt s ALA 168 CO -0.06 0.11 1.07 -2.14 0.00 0.00 0.00 175.76 174.74 1gqt s PRO 169 N -0.60 -0.02 0.21 0.00 0.02 -1.26 -0.44 135.00 132.90 1gqt s PRO 169 Ca -0.00 1.06 -0.32 0.00 0.02 0.00 0.00 61.00 61.75 1gqt s PRO 169 Cb -0.05 -1.64 -0.11 0.00 0.02 0.00 0.00 34.50 32.71 1gqt s PRO 169 CO 0.00 -3.18 1.67 0.00 -0.33 0.00 0.00 177.00 175.16 1gqt s ALA 170 N -2.59 3.88 0.15 -1.55 0.00 -1.26 -4.84 121.76 115.56 1gqt s ALA 170 Ca 0.67 1.54 -0.25 0.00 0.00 0.00 0.00 51.96 53.92 1gqt s ALA 170 Cb -0.23 -3.67 0.07 0.00 0.00 0.00 0.00 23.12 19.28 1gqt s ALA 170 CO 0.61 -0.90 0.98 -0.98 0.00 0.00 0.00 175.76 175.47 1gqt s ARG 171 N 0.96 1.20 0.17 0.00 1.70 -1.26 -5.12 118.95 116.60 1gqt s ARG 171 Ca 0.72 -0.68 -0.30 0.00 -0.47 0.00 0.00 55.73 55.01 1gqt s ARG 171 Cb -0.48 0.40 -0.07 0.00 -0.57 0.00 0.00 34.95 34.22 1gqt s ARG 171 CO 0.34 -0.55 0.94 -1.21 -1.08 0.00 0.00 175.30 173.74 1gqt s GLU 172 N -3.14 4.76 0.10 3.89 2.02 -1.26 -4.60 118.70 120.47 1gqt s GLU 172 Ca 0.13 1.45 0.09 0.00 0.02 0.00 0.00 54.97 56.66 1gqt s GLU 172 Cb -0.01 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 1gqt s GLU 172 CO 0.03 0.36 -0.23 -0.51 0.02 0.00 0.00 175.26 174.93 1gqt s LEU 173 N -0.56 2.47 0.34 1.80 1.43 -1.26 -5.12 118.68 117.78 1gqt s LEU 173 Ca 0.44 -0.61 -0.27 0.00 -1.03 0.00 0.00 54.13 52.65 1gqt s LEU 173 Cb -0.24 -1.39 -0.09 0.00 0.03 0.00 0.00 46.19 44.50 1gqt s LEU 173 CO 0.30 0.20 1.11 -2.16 0.23 0.00 0.00 176.35 176.04 1gqt s PRO 174 N -1.88 4.36 0.48 1.29 0.04 -1.26 -4.91 135.00 133.12 1gqt s PRO 174 Ca 0.15 1.75 0.32 0.00 0.04 0.00 0.00 61.00 63.26 1gqt s PRO 174 Cb -0.10 -2.89 1.43 0.00 0.04 0.00 0.00 34.50 32.97 1gqt s PRO 174 CO 0.07 -0.02 1.73 -0.44 0.04 0.00 0.00 177.00 178.37 1gqt h ASP 175 N 3.16 0.17 -0.60 6.66 3.32 -1.99 -0.32 116.42 126.83 1gqt h ASP 175 Ca -0.48 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.59 1gqt h ASP 175 Cb 1.22 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 1gqt h ASP 175 CO 0.65 -0.01 0.25 -0.08 -1.72 0.00 0.00 179.24 178.32 1gqt h GLU 176 N 0.13 0.89 -0.05 3.56 4.81 -1.96 -0.86 114.58 121.10 1gqt h GLU 176 Ca 0.67 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.70 1gqt h GLU 176 Cb 2.30 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 31.54 1gqt h GLU 176 CO -0.17 0.76 -0.15 1.25 -0.73 0.00 0.00 179.01 179.97 1gqt h LEU 177 N 0.83 0.21 -1.92 1.64 5.85 -1.45 -3.27 115.31 117.19 1gqt h LEU 177 Ca 0.20 -0.62 0.06 0.00 0.84 0.00 0.00 57.88 58.36 1gqt h LEU 177 Cb 0.19 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1gqt h LEU 177 CO -0.02 0.79 0.19 -0.07 -0.34 0.00 0.00 178.44 179.00 1gqt h LEU 178 N -0.36 0.08 -1.72 2.25 3.38 -1.01 0.30 115.31 118.23 1gqt h LEU 178 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1gqt h LEU 178 Cb 0.78 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1gqt h LEU 178 CO 0.03 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.62 1gqt h ALA 179 N 1.86 1.00 -0.01 1.53 0.00 -1.22 -2.57 119.26 119.86 1gqt h ALA 179 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1gqt h ALA 179 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1gqt h ALA 179 CO -0.01 0.00 -0.64 1.28 0.00 0.00 0.00 179.25 179.88 1gqt n LEU 180 N -2.75 1.14 -4.79 0.00 4.77 0.10 -4.86 117.00 110.62 1gqt n LEU 180 Ca -0.00 -0.41 -0.38 0.00 -0.03 0.00 0.00 56.01 55.18 1gqt n LEU 180 Cb 0.17 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1gqt n LEU 180 CO 0.20 0.24 0.49 -0.69 -1.33 0.00 0.00 177.39 176.30 1gqt s VAL 181 N -2.79 4.41 -0.19 4.08 1.01 -0.97 -4.64 120.40 121.30 1gqt s VAL 181 Ca 0.14 1.59 0.11 0.00 0.00 0.00 0.00 61.98 63.82 1gqt s VAL 181 Cb 0.17 -4.03 -0.20 0.00 0.00 0.00 0.00 36.38 32.32 1gqt s VAL 181 CO 0.70 0.37 -0.02 0.47 0.00 0.00 0.00 175.10 176.62 1gqt n ASP 182 N 1.18 1.11 -3.74 3.32 8.00 0.36 -4.39 116.55 122.40 1gqt n ASP 182 Ca -0.04 -0.04 -0.18 0.00 0.71 0.00 0.00 54.79 55.25 1gqt n ASP 182 Cb 0.50 0.52 -0.17 0.00 -0.02 0.00 0.00 41.12 41.95 1gqt n ASP 182 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1gqt s ILE 183 N -2.44 -0.02 0.11 0.53 1.01 -0.96 -1.24 121.20 118.18 1gqt s ILE 183 Ca -0.16 0.28 0.10 0.00 0.00 0.00 0.00 60.65 60.87 1gqt s ILE 183 Cb 0.06 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.34 1gqt s ILE 183 CO 0.67 0.14 -0.25 -0.51 0.00 0.00 0.00 174.94 174.99 1gqt s ILE 184 N 1.53 2.10 -0.45 2.92 2.07 -0.62 -0.94 121.20 127.81 1gqt s ILE 184 Ca -0.03 -1.65 0.09 0.00 -1.41 0.00 0.00 60.65 57.65 1gqt s ILE 184 Cb -0.13 -1.86 0.32 0.00 0.13 0.00 0.00 42.46 40.93 1gqt s ILE 184 CO -0.03 0.09 0.76 0.35 -1.91 0.00 0.00 174.94 174.20 1gqt n THR 185 N 1.08 0.83 -2.07 4.00 -2.24 -1.01 -0.98 114.28 113.89 1gqt n THR 185 Ca -0.18 -4.82 -0.33 0.00 -2.27 0.00 0.00 64.05 56.45 1gqt n THR 185 Cb 0.53 -0.99 0.01 0.00 -2.10 0.00 0.00 70.33 67.78 1gqt n THR 185 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1gqt s PRO 186 N -2.52 3.32 0.06 -0.78 0.04 -1.19 -4.52 135.00 129.41 1gqt s PRO 186 Ca 0.42 1.25 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 1gqt s PRO 186 Cb 0.29 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.81 1gqt s PRO 186 CO -0.09 -0.82 0.08 0.27 0.04 0.00 0.00 177.00 176.48 1gqt n ASN 187 N -1.95 0.05 -0.07 6.66 0.23 -1.26 -1.29 115.26 117.63 1gqt n ASN 187 Ca 0.09 -1.06 -0.14 0.00 -0.53 0.00 0.00 54.58 52.95 1gqt n ASN 187 Cb 0.53 -0.06 -0.02 0.00 -2.08 0.00 0.00 39.78 38.15 1gqt n ASN 187 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1gqt h GLU 188 N 0.00 0.83 -0.20 -3.83 5.08 -1.92 0.19 114.58 114.73 1gqt h GLU 188 Ca -0.03 -0.51 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1gqt h GLU 188 Cb 0.09 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1gqt h GLU 188 CO 0.02 1.15 0.11 1.15 -1.00 0.00 0.00 179.01 180.44 1gqt h THR 189 N 0.64 1.11 -0.51 1.13 2.02 -1.93 -2.22 112.91 113.15 1gqt h THR 189 Ca 0.02 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.82 1gqt h THR 189 Cb 1.13 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1gqt h THR 189 CO 0.12 0.10 -0.06 -0.33 0.37 0.00 0.00 175.52 175.71 1gqt h GLU 190 N 0.22 0.94 -0.55 6.66 5.08 -1.83 -1.61 114.58 123.48 1gqt h GLU 190 Ca 0.07 -0.33 0.11 0.00 -1.00 0.00 0.00 59.36 58.20 1gqt h GLU 190 Cb 0.07 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 1gqt h GLU 190 CO -0.01 0.99 0.04 0.00 -1.00 0.00 0.00 179.01 179.03 1gqt h ALA 191 N 0.92 0.58 -0.57 3.43 0.00 -0.58 -1.42 119.26 121.62 1gqt h ALA 191 Ca 0.14 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1gqt h ALA 191 Cb 0.61 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1gqt h ALA 191 CO 0.04 -0.36 0.34 1.49 0.00 0.00 0.00 179.25 180.76 1gqt h GLU 192 N 0.16 0.78 0.00 0.00 4.81 -1.17 -1.45 114.58 117.71 1gqt h GLU 192 Ca 0.29 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1gqt h GLU 192 Cb 0.44 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1gqt h GLU 192 CO -0.43 0.56 -0.32 -0.22 -0.73 0.00 0.00 179.01 177.87 1gqt h LYS 193 N 0.77 0.00 0.00 1.92 1.63 -0.57 0.19 116.57 120.51 1gqt h LYS 193 Ca 0.20 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.80 1gqt h LYS 193 Cb -0.01 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.58 1gqt h LYS 193 CO -0.04 0.32 -1.50 -0.07 -3.45 0.00 0.00 179.45 174.71 1gqt h LEU 194 N 0.00 0.00 0.00 5.20 3.38 -1.07 -3.40 115.31 119.42 1gqt h LEU 194 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1gqt h LEU 194 Cb 0.59 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1gqt h LEU 194 CO 0.04 0.72 -1.69 0.35 0.09 0.00 0.00 178.44 177.95 1gqt n THR 195 N -2.95 0.56 -0.26 0.22 -2.24 -0.57 -4.97 114.28 104.08 1gqt n THR 195 Ca -0.12 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1gqt n THR 195 Cb 0.91 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1gqt n THR 195 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqt n GLY 196 N 2.21 1.21 3.59 3.38 0.00 0.65 -5.04 105.19 111.18 1gqt n GLY 196 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 1gqt n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gqt s ILE 197 N -2.80 5.22 0.23 -0.61 1.01 -1.25 -4.99 121.20 118.01 1gqt s ILE 197 Ca 0.00 0.33 -0.31 0.00 0.00 0.00 0.00 60.65 60.66 1gqt s ILE 197 Cb 0.00 -3.67 -0.12 0.00 0.01 0.00 0.00 42.46 38.68 1gqt s ILE 197 CO 0.00 0.13 1.68 -1.14 0.00 0.00 0.00 174.94 175.61 1gqt n ARG 198 N 5.26 2.73 -3.84 2.79 0.63 -1.26 -3.67 116.66 119.30 1gqt n ARG 198 Ca -0.10 0.98 -0.36 0.00 -0.92 0.00 0.00 57.85 57.45 1gqt n ARG 198 Cb 0.51 -2.80 -0.13 0.00 0.45 0.00 0.00 32.46 30.48 1gqt n ARG 198 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1gqt s VAL 199 N 0.77 3.25 -0.10 5.15 1.01 -1.26 -4.81 120.40 124.41 1gqt s VAL 199 Ca 0.72 -1.46 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1gqt s VAL 199 Cb -0.51 -2.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.87 1gqt s VAL 199 CO 0.38 -0.24 0.16 -0.62 0.00 0.00 0.00 175.10 174.77 1gqt n GLU 200 N 4.66 2.19 -3.88 2.72 -0.58 -1.26 -4.93 120.64 119.57 1gqt n GLU 200 Ca -0.11 -0.03 -0.08 0.00 -0.42 0.00 0.00 57.16 56.52 1gqt n GLU 200 Cb 0.43 -0.98 -0.02 0.00 -0.57 0.00 0.00 31.44 30.31 1gqt n GLU 200 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1gqt s ASN 201 N -2.17 -0.15 0.52 1.62 2.20 -1.26 -5.05 114.94 110.66 1gqt s ASN 201 Ca -0.00 -0.78 0.19 0.00 -0.94 0.00 0.00 52.86 51.33 1gqt s ASN 201 Cb 0.04 0.73 1.32 0.00 -2.00 0.00 0.00 41.25 41.34 1gqt s ASN 201 CO 0.22 -1.38 2.10 -2.24 -2.94 0.00 0.00 177.10 172.86 1gqt h ASP 202 N 2.04 0.00 0.13 3.54 3.04 -1.99 -1.36 116.42 121.83 1gqt h ASP 202 Ca -0.23 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.56 1gqt h ASP 202 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 1gqt h ASP 202 CO 0.29 0.00 -0.06 -0.08 -2.04 0.00 0.00 179.24 177.34 1gqt h GLU 203 N 0.00 -0.17 -1.00 4.15 4.81 -2.00 -0.35 114.58 120.03 1gqt h GLU 203 Ca 0.08 0.01 0.24 0.00 -0.13 0.00 0.00 59.36 59.56 1gqt h GLU 203 Cb 0.31 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 29.61 1gqt h GLU 203 CO -0.00 0.17 0.58 -0.44 -0.73 0.00 0.00 179.01 178.59 1gqt h ASP 204 N -0.53 0.66 -0.43 1.04 5.19 -1.77 -2.24 116.42 118.34 1gqt h ASP 204 Ca -0.02 0.14 -0.07 0.00 -0.62 0.00 0.00 57.03 56.46 1gqt h ASP 204 Cb 0.42 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 1gqt h ASP 204 CO 0.03 0.10 0.00 0.00 -3.12 0.00 0.00 179.24 176.25 1gqt h ALA 205 N 1.73 0.58 -1.00 3.45 0.00 -0.35 -0.73 119.26 122.94 1gqt h ALA 205 Ca 0.64 -0.27 0.14 0.00 0.00 0.00 0.00 54.91 55.42 1gqt h ALA 205 Cb 1.21 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.76 1gqt h ALA 205 CO -0.48 0.37 0.63 0.00 0.00 0.00 0.00 179.25 179.77 1gqt h ALA 206 N 0.90 1.57 -0.20 0.00 0.00 -0.49 0.30 119.26 121.34 1gqt h ALA 206 Ca 0.12 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1gqt h ALA 206 Cb 0.49 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1gqt h ALA 206 CO 0.02 0.15 -0.33 0.87 0.00 0.00 0.00 179.25 179.96 1gqt h LYS 207 N 0.93 0.58 -0.44 0.00 1.57 -1.11 -1.35 116.57 116.75 1gqt h LYS 207 Ca 0.52 -0.35 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 1gqt h LYS 207 Cb 0.60 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1gqt h LYS 207 CO -0.29 0.96 0.10 0.00 -0.57 0.00 0.00 179.45 179.64 1gqt h ALA 208 N 0.61 0.58 -0.34 3.86 0.00 0.19 -2.48 119.26 121.68 1gqt h ALA 208 Ca 0.02 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1gqt h ALA 208 Cb 0.91 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1gqt h ALA 208 CO 0.07 0.28 0.20 0.00 0.00 0.00 0.00 179.25 179.80 1gqt h ALA 209 N 0.96 0.43 -0.60 0.00 0.00 -0.39 -2.77 119.26 116.89 1gqt h ALA 209 Ca 0.14 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1gqt h ALA 209 Cb 0.34 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 1gqt h ALA 209 CO 0.00 -0.16 0.06 0.37 0.00 0.00 0.00 179.25 179.53 1gqt h GLN 210 N 0.40 0.18 -0.94 0.00 4.15 -0.81 0.51 115.11 118.59 1gqt h GLN 210 Ca 0.14 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.60 1gqt h GLN 210 Cb 0.01 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.60 1gqt h GLN 210 CO -0.07 0.12 0.61 0.28 -1.93 0.00 0.00 178.83 177.84 1gqt h VAL 211 N 0.18 1.12 -0.37 2.39 2.07 -1.20 0.12 116.25 120.57 1gqt h VAL 211 Ca 0.31 -0.39 -0.14 0.00 0.82 0.00 0.00 66.70 67.30 1gqt h VAL 211 Cb 0.49 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1gqt h VAL 211 CO -0.46 0.21 -0.31 -0.07 0.02 0.00 0.00 177.57 176.96 1gqt h LEU 212 N 1.15 0.91 -0.64 2.57 3.38 -0.57 -1.46 115.31 120.64 1gqt h LEU 212 Ca 0.39 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1gqt h LEU 212 Cb 0.08 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1gqt h LEU 212 CO -0.14 1.17 0.37 0.45 0.09 0.00 0.00 178.44 180.37 1gqt h HIS 213 N 0.65 0.87 0.00 1.13 3.86 0.69 -1.85 115.15 120.50 1gqt h HIS 213 Ca 0.06 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1gqt h HIS 213 Cb 0.89 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 1gqt h HIS 213 CO 0.06 0.61 -0.20 0.93 0.86 0.00 0.00 177.93 180.20 1gqt h GLU 214 N 0.88 0.00 0.00 2.45 4.39 -0.64 -0.26 114.58 121.39 1gqt h GLU 214 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1gqt h GLU 214 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1gqt h GLU 214 CO -0.04 0.20 0.00 1.63 -1.16 0.00 0.00 179.01 179.64 1gqt n LYS 215 N -3.62 0.33 0.00 2.33 4.76 -0.56 -4.85 118.16 116.55 1gqt n LYS 215 Ca -0.01 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1gqt n LYS 215 Cb 0.33 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1gqt n LYS 215 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1gqt n GLY 216 N 0.48 0.95 3.47 0.72 0.00 -0.12 -3.75 105.19 106.94 1gqt n GLY 216 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1gqt n GLY 216 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gqt s ILE 217 N -2.00 5.02 0.19 -0.61 1.01 -1.04 -4.80 121.20 118.97 1gqt s ILE 217 Ca 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 1gqt s ILE 217 Cb 0.00 -4.13 0.11 0.00 0.01 0.00 0.00 42.46 38.45 1gqt s ILE 217 CO 0.00 -0.55 1.81 -0.09 0.00 0.00 0.00 174.94 176.11 1gqt h ARG 218 N 8.81 0.90 -4.96 2.79 2.43 -1.77 -3.33 114.38 119.25 1gqt h ARG 218 Ca -0.27 -0.10 -0.67 0.00 -0.81 0.00 0.00 59.98 58.13 1gqt h ARG 218 Cb 1.11 -0.18 -0.33 0.00 -0.42 0.00 0.00 29.97 30.15 1gqt h ARG 218 CO 0.85 0.67 -0.78 0.99 -1.51 0.00 0.00 179.97 180.19 1gqt s THR 219 N -5.88 2.63 -0.15 0.20 2.01 -0.38 -1.22 115.64 112.86 1gqt s THR 219 Ca -0.13 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 60.90 1gqt s THR 219 Cb 0.14 -2.27 0.02 0.00 0.01 0.00 0.00 72.50 70.40 1gqt s THR 219 CO 0.78 0.32 -0.15 -0.69 -0.69 0.00 0.00 174.62 174.19 1gqt s VAL 220 N 1.32 1.60 -0.33 3.82 1.01 0.15 -1.60 120.40 126.38 1gqt s VAL 220 Ca 0.02 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1gqt s VAL 220 Cb -0.15 -1.50 0.10 0.00 0.00 0.00 0.00 36.38 34.83 1gqt s VAL 220 CO -0.07 0.46 0.05 -0.76 0.00 0.00 0.00 175.10 174.79 1gqt s LEU 221 N 1.43 4.08 -0.37 3.92 1.43 -0.15 -0.02 118.68 129.00 1gqt s LEU 221 Ca 0.04 -1.99 -0.18 0.00 -1.03 0.00 0.00 54.13 50.97 1gqt s LEU 221 Cb -0.13 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.66 1gqt s LEU 221 CO -0.10 -0.38 0.52 -0.63 0.23 0.00 0.00 176.35 175.99 1gqt s ILE 222 N 1.09 5.00 0.26 -0.59 1.01 -0.77 -3.20 121.20 124.00 1gqt s ILE 222 Ca 0.10 0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.66 1gqt s ILE 222 Cb -0.19 -4.01 -0.09 0.00 0.01 0.00 0.00 42.46 38.18 1gqt s ILE 222 CO -0.12 -0.30 1.13 0.42 0.00 0.00 0.00 174.94 176.07 1gqt s THR 223 N 2.42 3.47 -0.41 2.92 -4.23 -0.41 -1.02 115.64 118.38 1gqt s THR 223 Ca 0.18 1.43 0.05 0.00 -1.18 0.00 0.00 61.69 62.17 1gqt s THR 223 Cb -0.15 -3.91 0.43 0.00 1.34 0.00 0.00 72.50 70.21 1gqt s THR 223 CO 0.14 0.32 1.20 0.18 -0.54 0.00 0.00 174.62 175.93 1gqt n LEU 224 N 1.42 5.00 0.00 4.79 4.77 0.83 -3.75 117.00 130.06 1gqt n LEU 224 Ca -0.00 -5.00 0.00 0.00 -0.03 0.00 0.00 56.01 50.97 1gqt n LEU 224 Cb 0.45 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1gqt n LEU 224 CO 0.55 2.15 0.00 0.61 -1.33 0.00 0.00 177.39 179.37 1gqt n GLY 225 N -0.58 1.98 0.15 -0.72 0.00 -1.26 -0.60 105.19 104.17 1gqt n GLY 225 Ca 0.42 0.47 -0.01 0.00 0.00 0.00 0.00 46.02 46.91 1gqt n GLY 225 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1gqt h SER 226 N 0.00 0.02 0.45 1.61 0.02 -1.98 -2.84 113.55 110.83 1gqt h SER 226 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1gqt h SER 226 Cb 0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1gqt h SER 226 CO 0.00 0.57 0.00 0.54 -1.14 0.00 0.00 176.83 176.80 1gqt n ARG 227 N -3.88 0.11 0.00 3.45 1.74 0.23 -4.48 116.66 113.83 1gqt n ARG 227 Ca -0.01 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1gqt n ARG 227 Cb 0.56 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 1gqt n ARG 227 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gqt n GLY 228 N 0.16 0.80 3.23 -0.13 0.00 -1.07 -4.37 105.19 103.81 1gqt n GLY 228 Ca 0.06 -1.32 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 1gqt n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gqt s VAL 229 N 0.00 0.04 -0.37 1.61 0.11 0.34 -0.12 120.40 122.02 1gqt s VAL 229 Ca 0.00 -0.32 -0.17 0.00 -2.93 0.00 0.00 61.98 58.56 1gqt s VAL 229 Cb 0.00 -0.56 -0.00 0.00 -1.53 0.00 0.00 36.38 34.29 1gqt s VAL 229 CO 0.00 -0.18 0.43 0.86 -3.33 0.00 0.00 175.10 172.88 1gqt s TRP 230 N -0.84 3.19 -0.26 1.54 -0.11 -0.19 -1.05 118.94 121.22 1gqt s TRP 230 Ca -0.09 -0.06 -0.11 0.00 1.22 0.00 0.00 56.10 57.05 1gqt s TRP 230 Cb -0.04 -2.81 -0.05 0.00 -1.50 0.00 0.00 33.47 29.07 1gqt s TRP 230 CO 0.03 -0.54 0.20 0.00 -4.62 0.00 0.00 176.95 172.02 1gqt s ALA 231 N 2.16 3.57 -0.07 5.86 0.00 0.66 -1.84 121.76 132.10 1gqt s ALA 231 Ca 0.14 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1gqt s ALA 231 Cb -0.16 -2.42 0.01 0.00 0.00 0.00 0.00 23.12 20.55 1gqt s ALA 231 CO 0.13 -0.36 -0.12 0.45 0.00 0.00 0.00 175.76 175.86 1gqt s SER 232 N 1.36 1.78 -0.19 0.00 0.15 0.97 -1.05 113.70 116.74 1gqt s SER 232 Ca 0.08 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.45 1gqt s SER 232 Cb -0.15 -0.82 0.02 0.00 -1.71 0.00 0.00 66.02 63.36 1gqt s SER 232 CO 0.07 0.02 -0.19 -0.69 1.20 0.00 0.00 173.24 173.66 1gqt s VAL 233 N 0.72 2.09 -1.79 4.45 1.01 -1.00 0.33 120.40 126.22 1gqt s VAL 233 Ca -0.13 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.65 1gqt s VAL 233 Cb -0.16 -1.91 0.19 0.00 0.00 0.00 0.00 36.38 34.51 1gqt s VAL 233 CO 0.03 0.49 0.62 0.59 0.00 0.00 0.00 175.10 176.83 1gqt n ASN 234 N 4.61 -2.10 0.00 3.32 5.03 -0.36 -1.06 115.26 124.71 1gqt n ASN 234 Ca -0.20 -1.17 0.00 0.00 0.87 0.00 0.00 54.58 54.08 1gqt n ASN 234 Cb 0.49 -2.03 0.00 0.00 -1.02 0.00 0.00 39.78 37.23 1gqt n ASN 234 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1gqt n GLY 235 N -1.30 2.08 3.53 7.41 0.00 -1.26 -5.01 105.19 110.63 1gqt n GLY 235 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1gqt n GLY 235 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gqt s GLU 236 N -0.90 3.30 0.54 1.61 2.56 -0.22 -5.03 118.70 120.57 1gqt s GLU 236 Ca 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 54.97 54.27 1gqt s GLU 236 Cb 0.00 -4.53 0.01 0.00 2.00 0.00 0.00 34.13 31.60 1gqt s GLU 236 CO 0.00 -2.08 0.81 0.20 -0.56 0.00 0.00 175.26 173.63 1gqt s GLY 237 N 4.03 1.61 -0.27 -1.50 0.00 -1.26 -2.36 107.32 107.57 1gqt s GLY 237 Ca 0.35 -0.88 -0.26 0.00 0.00 0.00 0.00 44.72 43.94 1gqt s GLY 237 CO 0.06 -0.64 1.06 1.62 0.00 0.00 0.00 173.10 175.20 1gqt s GLN 238 N -4.82 0.48 -0.08 2.90 0.74 -0.21 -4.97 119.66 113.71 1gqt s GLN 238 Ca 0.52 0.52 -0.12 0.00 0.05 0.00 0.00 55.36 56.34 1gqt s GLN 238 Cb -0.10 0.24 -0.05 0.00 1.10 0.00 0.00 33.01 34.19 1gqt s GLN 238 CO 0.42 -0.07 0.28 0.50 -0.55 0.00 0.00 175.29 175.87 1gqt s ARG 239 N 0.08 3.82 -0.26 1.67 6.06 -1.26 -0.25 118.95 128.82 1gqt s ARG 239 Ca 0.03 0.14 -0.01 0.00 -2.50 0.00 0.00 55.73 53.40 1gqt s ARG 239 Cb -0.05 -3.26 0.08 0.00 0.06 0.00 0.00 34.95 31.79 1gqt s ARG 239 CO -0.06 0.62 0.03 0.08 -2.50 0.00 0.00 175.30 173.48 1gqt s VAL 240 N -0.71 1.05 0.59 7.11 1.01 -0.22 -4.96 120.40 124.27 1gqt s VAL 240 Ca 0.19 -1.17 -0.20 0.00 0.00 0.00 0.00 61.98 60.80 1gqt s VAL 240 Cb -0.14 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1gqt s VAL 240 CO 0.08 -0.38 1.29 -2.84 0.00 0.00 0.00 175.10 173.25 1gqt s PRO 241 N 1.58 2.93 0.00 2.72 0.02 -1.26 -0.50 135.00 140.49 1gqt s PRO 241 Ca 0.02 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.11 1gqt s PRO 241 Cb -0.18 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.29 1gqt s PRO 241 CO -0.14 -1.30 0.00 0.41 -0.33 0.00 0.00 177.00 175.64 1gqt n GLY 242 N 0.73 -0.25 3.95 0.52 0.00 -1.26 -4.87 105.19 104.00 1gqt n GLY 242 Ca 0.13 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.15 1gqt n GLY 242 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gqt s PHE 243 N -0.07 3.48 -0.16 1.61 0.08 -1.26 -4.98 117.98 116.68 1gqt s PHE 243 Ca 0.00 0.24 -0.10 0.00 0.12 0.00 0.00 56.93 57.19 1gqt s PHE 243 Cb 0.00 -1.79 -0.05 0.00 -0.57 0.00 0.00 43.02 40.62 1gqt s PHE 243 CO 0.00 0.29 0.17 1.03 -0.10 0.00 0.00 175.22 176.61 1gqt s ARG 244 N -3.93 3.93 0.17 0.44 1.81 -1.26 -5.02 118.95 115.08 1gqt s ARG 244 Ca 0.38 -0.12 -0.17 0.00 -1.72 0.00 0.00 55.73 54.10 1gqt s ARG 244 Cb -0.10 -3.33 0.03 0.00 -0.45 0.00 0.00 34.95 31.10 1gqt s ARG 244 CO 0.32 0.48 0.48 0.14 -0.68 0.00 0.00 175.30 176.04 1gqt s VAL 245 N -0.17 0.04 -0.30 3.52 -7.23 -1.26 -5.13 120.40 109.87 1gqt s VAL 245 Ca 0.12 -0.64 -0.27 0.00 -1.81 0.00 0.00 61.98 59.39 1gqt s VAL 245 Cb -0.12 -1.37 0.01 0.00 0.56 0.00 0.00 36.38 35.46 1gqt s VAL 245 CO 0.02 -0.18 0.96 -1.58 -0.31 0.00 0.00 175.10 174.00 1gqt s GLN 246 N -3.84 4.05 -0.03 4.82 0.74 -1.26 -5.02 119.66 119.13 1gqt s GLN 246 Ca 0.06 0.92 -0.30 0.00 0.05 0.00 0.00 55.36 56.09 1gqt s GLN 246 Cb 0.00 -3.72 -0.03 0.00 1.10 0.00 0.00 33.01 30.36 1gqt s GLN 246 CO -0.07 -0.78 1.05 0.00 -0.55 0.00 0.00 175.29 174.94 1gqt s ALA 247 N 3.32 3.31 -0.19 1.58 0.00 -1.26 -4.54 121.76 123.98 1gqt s ALA 247 Ca 0.40 0.55 -0.04 0.00 0.00 0.00 0.00 51.96 52.88 1gqt s ALA 247 Cb -0.13 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.48 1gqt s ALA 247 CO 0.13 -0.44 -0.20 1.33 0.00 0.00 0.00 175.76 176.58 1gqt n VAL 248 N 4.18 1.05 -3.67 0.00 0.24 -0.94 -5.04 118.33 114.15 1gqt n VAL 248 Ca 0.08 -0.34 -0.12 0.00 -2.04 0.00 0.00 64.34 61.92 1gqt n VAL 248 Cb 0.49 -1.42 -0.12 0.00 -1.47 0.00 0.00 33.84 31.31 1gqt n VAL 248 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1gqt s ASP 249 N -6.20 0.14 -0.13 -1.34 -1.08 -1.08 -4.89 116.67 102.09 1gqt s ASP 249 Ca -0.26 0.71 0.17 0.00 -0.52 0.00 0.00 52.55 52.65 1gqt s ASP 249 Cb 0.08 0.87 0.65 0.00 -1.46 0.00 0.00 42.92 43.07 1gqt s ASP 249 CO 0.38 -0.23 1.57 0.35 0.52 0.00 0.00 175.17 177.76 1gqt n THR 250 N 5.29 1.96 -1.73 1.71 -2.24 -1.26 -4.26 114.28 113.75 1gqt n THR 250 Ca -0.08 -1.33 -0.42 0.00 -2.27 0.00 0.00 64.05 59.94 1gqt n THR 250 Cb 0.50 0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 1gqt n THR 250 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1gqt n ILE 251 N 0.68 0.95 -1.04 2.28 2.08 -1.26 -2.64 119.36 120.41 1gqt n ILE 251 Ca 0.24 -0.24 -0.01 0.00 0.56 0.00 0.00 62.75 63.29 1gqt n ILE 251 Cb 0.88 -1.90 -0.01 0.00 -0.75 0.00 0.00 39.64 37.86 1gqt n ILE 251 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1gqt n ALA 252 N 2.22 -0.02 0.20 -1.39 0.00 -1.26 -4.74 120.51 115.52 1gqt n ALA 252 Ca 0.09 0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.41 1gqt n ALA 252 Cb 0.36 -0.67 -0.08 0.00 0.00 0.00 0.00 19.45 19.06 1gqt n ALA 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gqt h ALA 253 N 0.00 -0.44 -0.89 0.00 0.00 -1.86 0.16 119.26 116.24 1gqt h ALA 253 Ca -0.03 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1gqt h ALA 253 Cb 0.41 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1gqt h ALA 253 CO 0.04 -0.73 0.58 0.78 0.00 0.00 0.00 179.25 179.92 1gqt h GLY 254 N -0.47 1.28 0.94 0.00 0.00 -1.91 -0.98 103.07 101.93 1gqt h GLY 254 Ca -0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1gqt h GLY 254 CO 0.07 0.27 0.11 -0.55 0.00 0.00 0.00 176.54 176.44 1gqt h ASP 255 N 0.97 0.61 -0.08 0.19 3.32 -1.85 0.34 116.42 119.92 1gqt h ASP 255 Ca 0.39 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1gqt h ASP 255 Cb 0.26 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1gqt h ASP 255 CO -0.15 0.68 0.04 0.74 -1.72 0.00 0.00 179.24 178.83 1gqt h THR 256 N 0.52 1.08 -0.31 0.35 2.02 -0.57 -1.27 112.91 114.73 1gqt h THR 256 Ca 0.13 -0.24 0.07 0.00 0.77 0.00 0.00 66.41 67.14 1gqt h THR 256 Cb 0.30 1.11 -0.08 0.00 -1.74 0.00 0.00 68.15 67.73 1gqt h THR 256 CO -0.00 0.07 -0.25 0.15 0.37 0.00 0.00 175.52 175.86 1gqt h PHE 257 N 0.03 -0.68 -0.42 3.16 3.57 -0.66 -1.43 116.94 120.51 1gqt h PHE 257 Ca 0.03 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1gqt h PHE 257 Cb 0.08 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1gqt h PHE 257 CO -0.04 -0.33 0.25 -0.91 -2.23 0.00 0.00 178.31 175.04 1gqt h ASN 258 N -0.23 0.40 -0.70 0.41 2.35 -0.02 0.92 115.58 118.71 1gqt h ASN 258 Ca 0.16 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 1gqt h ASN 258 Cb 0.48 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 1gqt h ASN 258 CO -0.44 0.29 0.26 1.23 -1.65 0.00 0.00 177.43 177.12 1gqt h GLY 259 N 0.50 1.14 1.68 2.83 0.00 -0.72 -1.79 103.07 106.70 1gqt h GLY 259 Ca 0.17 -0.64 -0.16 0.00 0.00 0.00 0.00 47.33 46.70 1gqt h GLY 259 CO -0.08 0.60 -0.92 0.00 0.00 0.00 0.00 176.54 176.13 1gqt h ALA 260 N 1.12 0.60 0.40 3.60 0.00 -1.08 -2.76 119.26 121.14 1gqt h ALA 260 Ca 0.23 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1gqt h ALA 260 Cb 0.24 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1gqt h ALA 260 CO -0.02 0.91 -0.26 1.25 0.00 0.00 0.00 179.25 181.13 1gqt h LEU 261 N 0.00 -0.67 -1.58 0.00 5.85 -0.66 -1.67 115.31 116.58 1gqt h LEU 261 Ca -0.07 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1gqt h LEU 261 Cb 1.56 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 1gqt h LEU 261 CO 0.08 -0.41 0.10 0.40 -0.34 0.00 0.00 178.44 178.27 1gqt h ILE 262 N -0.64 1.11 0.16 4.05 1.08 -1.30 -1.81 117.51 120.16 1gqt h ILE 262 Ca -0.04 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 64.06 1gqt h ILE 262 Cb 0.54 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 35.09 1gqt h ILE 262 CO 0.03 0.14 -0.08 0.74 -0.69 0.00 0.00 178.15 178.29 1gqt h THR 263 N 0.38 0.89 -0.25 -0.27 2.02 -1.29 -0.87 112.91 113.52 1gqt h THR 263 Ca 0.10 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 1gqt h THR 263 Cb 0.09 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1gqt h THR 263 CO -0.01 0.05 -0.10 0.00 0.37 0.00 0.00 175.52 175.83 1gqt h ALA 264 N 0.50 1.36 -0.28 6.16 0.00 -1.01 -1.55 119.26 124.43 1gqt h ALA 264 Ca -0.02 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 1gqt h ALA 264 Cb 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1gqt h ALA 264 CO 0.04 0.44 -0.39 -0.07 0.00 0.00 0.00 179.25 179.27 1gqt h LEU 265 N 0.39 0.70 -1.64 0.00 3.38 -1.19 -1.70 115.31 115.26 1gqt h LEU 265 Ca 0.08 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1gqt h LEU 265 Cb 0.42 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1gqt h LEU 265 CO 0.02 1.01 0.00 -0.07 0.09 0.00 0.00 178.44 179.49 1gqt h LEU 266 N 0.55 0.00 -0.56 1.67 3.38 -0.80 0.39 115.31 119.93 1gqt h LEU 266 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1gqt h LEU 266 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1gqt h LEU 266 CO 0.08 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.99 1gqt n GLU 267 N -2.87 1.38 -1.06 1.13 1.02 -0.62 -4.20 120.64 115.42 1gqt n GLU 267 Ca -0.00 -0.56 -0.02 0.00 -0.02 0.00 0.00 57.16 56.56 1gqt n GLU 267 Cb 0.22 -1.44 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 1gqt n GLU 267 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1gqt n GLU 268 N -0.28 -0.42 -2.09 3.49 2.13 0.13 -5.01 120.64 118.58 1gqt n GLU 268 Ca 0.19 0.37 -0.41 0.00 0.66 0.00 0.00 57.16 57.97 1gqt n GLU 268 Cb 0.23 -3.88 -0.02 0.00 0.27 0.00 0.00 31.44 28.04 1gqt n GLU 268 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1gqt s LYS 269 N -1.34 4.34 0.86 5.31 1.02 -0.71 -4.98 119.74 124.24 1gqt s LYS 269 Ca 0.00 2.24 -0.10 0.00 0.02 0.00 0.00 55.97 58.13 1gqt s LYS 269 Cb 0.00 -3.07 0.11 0.00 -0.52 0.00 0.00 37.83 34.36 1gqt s LYS 269 CO 0.00 -0.22 1.13 -1.25 -0.92 0.00 0.00 175.35 174.09 1gqt s PRO 270 N -1.74 1.45 0.17 -1.68 0.04 -1.26 -4.48 135.00 127.50 1gqt s PRO 270 Ca 0.50 1.43 -0.17 0.00 0.04 0.00 0.00 61.00 62.79 1gqt s PRO 270 Cb -0.40 -1.79 0.09 0.00 0.04 0.00 0.00 34.50 32.44 1gqt s PRO 270 CO 0.53 -2.29 1.67 1.25 0.04 0.00 0.00 177.00 178.20 1gqt h LEU 271 N -1.60 -0.37 -0.12 -3.56 5.85 -1.97 0.20 115.31 113.73 1gqt h LEU 271 Ca -0.43 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.45 1gqt h LEU 271 Cb 1.26 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.47 1gqt h LEU 271 CO 0.45 -0.13 -0.31 -0.65 -0.34 0.00 0.00 178.44 177.46 1gqt h PRO 272 N -0.00 -0.37 -0.39 5.25 0.11 -1.99 0.17 132.00 134.78 1gqt h PRO 272 Ca 0.19 0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.23 1gqt h PRO 272 Cb 0.29 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1gqt h PRO 272 CO -0.41 -0.25 -0.13 1.49 -0.21 0.00 0.00 178.00 178.49 1gqt h GLU 273 N -0.39 0.78 -0.77 1.05 4.81 -1.79 -1.93 114.58 116.35 1gqt h GLU 273 Ca 0.09 -0.32 0.15 0.00 -0.13 0.00 0.00 59.36 59.16 1gqt h GLU 273 Cb 0.53 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.78 1gqt h GLU 273 CO -0.34 0.93 0.30 0.00 -0.73 0.00 0.00 179.01 179.17 1gqt h ALA 274 N 0.82 1.09 -0.01 2.92 0.00 -0.40 0.11 119.26 123.80 1gqt h ALA 274 Ca 0.09 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 1gqt h ALA 274 Cb 0.67 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1gqt h ALA 274 CO 0.05 -0.23 -0.61 0.82 0.00 0.00 0.00 179.25 179.28 1gqt h ILE 275 N 0.43 1.43 -0.39 0.00 2.04 -0.38 -1.35 117.51 119.29 1gqt h ILE 275 Ca 0.43 -2.07 -0.14 0.00 1.00 0.00 0.00 64.86 64.08 1gqt h ILE 275 Cb 0.68 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 1gqt h ILE 275 CO -0.42 0.59 -0.31 -0.09 0.00 0.00 0.00 178.15 177.91 1gqt h ARG 276 N 0.02 0.90 -0.49 2.37 9.65 -0.36 0.18 114.38 126.65 1gqt h ARG 276 Ca -0.01 -0.45 -0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1gqt h ARG 276 Cb 1.08 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.64 1gqt h ARG 276 CO 0.08 1.10 0.30 0.35 2.80 0.00 0.00 179.97 184.59 1gqt h PHE 277 N 0.71 0.65 -0.61 2.20 3.57 -0.59 -1.17 116.94 121.70 1gqt h PHE 277 Ca 0.07 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1gqt h PHE 277 Cb 0.90 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 1gqt h PHE 277 CO 0.06 0.45 0.26 0.00 -2.23 0.00 0.00 178.31 176.86 1gqt h ALA 278 N 1.14 0.79 -0.77 2.41 0.00 -0.70 -1.74 119.26 120.39 1gqt h ALA 278 Ca 0.18 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1gqt h ALA 278 Cb -0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 1gqt h ALA 278 CO -0.03 0.38 0.44 0.45 0.00 0.00 0.00 179.25 180.49 1gqt h HIS 279 N 0.84 0.81 -0.48 0.00 3.86 -0.43 -0.78 115.15 118.96 1gqt h HIS 279 Ca 0.21 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.37 1gqt h HIS 279 Cb 0.17 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 1gqt h HIS 279 CO 0.01 0.37 0.01 0.00 0.86 0.00 0.00 177.93 179.17 1gqt h ALA 280 N 1.40 0.65 -0.08 2.45 0.00 -0.47 -0.79 119.26 122.42 1gqt h ALA 280 Ca 0.35 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1gqt h ALA 280 Cb 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1gqt h ALA 280 CO -0.20 0.45 0.03 0.00 0.00 0.00 0.00 179.25 179.53 1gqt h ALA 281 N 0.93 0.09 -0.08 0.00 0.00 -0.74 -2.32 119.26 117.14 1gqt h ALA 281 Ca 0.14 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1gqt h ALA 281 Cb 0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1gqt h ALA 281 CO 0.02 -0.44 -0.24 0.00 0.00 0.00 0.00 179.25 178.60 1gqt h ALA 282 N 1.04 1.46 -0.17 0.00 0.00 -0.95 -0.58 119.26 120.06 1gqt h ALA 282 Ca 0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1gqt h ALA 282 Cb 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1gqt h ALA 282 CO -0.03 0.39 -0.20 0.00 0.00 0.00 0.00 179.25 179.40 1gqt h ALA 283 N 1.64 0.25 -0.68 0.00 0.00 -0.76 -0.16 119.26 119.55 1gqt h ALA 283 Ca 0.02 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.67 1gqt h ALA 283 Cb 0.49 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 1gqt h ALA 283 CO 0.03 0.19 0.29 0.82 0.00 0.00 0.00 179.25 180.59 1gqt h ILE 284 N 0.07 0.78 -0.07 0.00 2.04 -1.23 -2.81 117.51 116.30 1gqt h ILE 284 Ca 0.02 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1gqt h ILE 284 Cb 0.76 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1gqt h ILE 284 CO 0.05 0.09 -0.08 0.00 0.00 0.00 0.00 178.15 178.21 1gqt h ALA 285 N 1.45 1.75 0.00 1.87 0.00 0.39 -0.28 119.26 124.44 1gqt h ALA 285 Ca 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1gqt h ALA 285 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1gqt h ALA 285 CO -0.31 0.19 0.00 1.33 0.00 0.00 0.00 179.25 180.46 1gqt n VAL 286 N -4.39 0.20 0.99 0.00 0.24 -0.22 -2.30 118.33 112.85 1gqt n VAL 286 Ca -0.02 0.05 0.11 0.00 -2.04 0.00 0.00 64.34 62.44 1gqt n VAL 286 Cb 0.19 -0.61 0.32 0.00 -1.47 0.00 0.00 33.84 32.27 1gqt n VAL 286 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1gqt n THR 287 N -1.43 0.26 -4.27 3.34 -2.24 -0.11 -2.22 114.28 107.62 1gqt n THR 287 Ca 0.08 -0.46 -0.21 0.00 -2.27 0.00 0.00 64.05 61.19 1gqt n THR 287 Cb 0.27 0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 68.99 1gqt n THR 287 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1gqt s ARG 288 N -1.74 1.08 0.48 -0.78 0.52 -0.97 -4.78 118.95 112.77 1gqt s ARG 288 Ca 0.34 -1.19 -0.07 0.00 -0.52 0.00 0.00 55.73 54.29 1gqt s ARG 288 Cb 0.19 -1.18 -0.04 0.00 0.52 0.00 0.00 34.95 34.44 1gqt s ARG 288 CO 0.28 0.26 0.80 0.15 0.02 0.00 0.00 175.30 176.81 1gqt s LYS 289 N -2.22 3.59 0.43 3.54 1.02 -1.26 -4.54 119.74 120.29 1gqt s LYS 289 Ca 0.07 0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.36 1gqt s LYS 289 Cb -0.08 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.88 1gqt s LYS 289 CO 0.04 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 1gqt n GLY 290 N -2.13 -2.10 0.00 -3.33 0.00 -1.26 -3.74 105.19 92.64 1gqt n GLY 290 Ca 0.01 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1gqt n GLY 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqt n ALA 291 N -0.85 0.00 -0.06 4.61 0.00 -1.26 -4.24 120.51 118.71 1gqt n ALA 291 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1gqt n ALA 291 Cb 0.09 0.00 0.41 0.00 0.00 0.00 0.00 19.45 19.95 1gqt n ALA 291 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1gqt h GLN 292 N 0.00 0.59 0.00 0.00 4.20 -1.88 -0.28 115.11 117.74 1gqt h GLN 292 Ca 0.00 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1gqt h GLN 292 Cb 0.00 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 1gqt h GLN 292 CO 0.00 0.39 -0.10 -1.35 -0.67 0.00 0.00 178.83 177.10 1gqt h PRO 293 N 0.61 0.00 -0.00 1.46 0.11 -1.84 -1.95 132.00 130.39 1gqt h PRO 293 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1gqt h PRO 293 Cb 0.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1gqt h PRO 293 CO -0.05 0.10 -0.00 -1.13 -0.21 0.00 0.00 178.00 176.71 1gqt n SER 294 N -3.49 0.48 -4.71 -2.05 3.41 -0.12 -4.90 113.62 102.26 1gqt n SER 294 Ca -0.01 -1.13 -0.40 0.00 -0.26 0.00 0.00 58.87 57.06 1gqt n SER 294 Cb 0.25 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.15 1gqt n SER 294 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1gqt s VAL 295 N -2.02 5.03 0.56 -3.33 1.01 -0.74 -4.10 120.40 116.81 1gqt s VAL 295 Ca 0.44 1.43 -0.10 0.00 0.00 0.00 0.00 61.98 63.75 1gqt s VAL 295 Cb 0.22 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1gqt s VAL 295 CO 0.36 0.22 0.94 -2.16 0.00 0.00 0.00 175.10 174.46 1gqt s PRO 296 N 1.05 3.62 0.25 2.72 0.04 -1.26 -5.04 135.00 136.38 1gqt s PRO 296 Ca 0.36 0.58 -0.02 0.00 0.04 0.00 0.00 61.00 61.97 1gqt s PRO 296 Cb -0.17 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 1gqt s PRO 296 CO 0.17 -0.41 0.47 -1.58 0.04 0.00 0.00 177.00 175.69 1gqt s TRP 297 N -2.96 3.48 0.31 0.56 0.52 -1.26 -4.35 118.94 115.24 1gqt s TRP 297 Ca 0.53 0.46 0.05 0.00 0.02 0.00 0.00 56.10 57.16 1gqt s TRP 297 Cb -0.11 -1.96 0.68 0.00 -1.15 0.00 0.00 33.47 30.93 1gqt s TRP 297 CO 0.48 0.27 1.82 -0.09 0.02 0.00 0.00 176.95 179.45 1gqt h ARG 298 N 1.73 0.83 -0.64 4.98 9.65 -0.91 -0.51 114.38 129.51 1gqt h ARG 298 Ca -0.48 -0.05 0.12 0.00 -1.10 0.00 0.00 59.98 58.47 1gqt h ARG 298 Cb 1.19 -0.19 -0.09 0.00 -1.39 0.00 0.00 29.97 29.50 1gqt h ARG 298 CO 0.66 0.55 0.17 0.93 2.80 0.00 0.00 179.97 185.08 1gqt h GLU 299 N 0.85 0.30 0.00 0.20 3.07 -1.94 -1.00 114.58 116.06 1gqt h GLU 299 Ca 0.52 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 59.24 1gqt h GLU 299 Cb 0.69 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 1gqt h GLU 299 CO -0.30 0.20 -0.60 0.93 -1.40 0.00 0.00 179.01 177.84 1gqt h GLU 300 N 0.30 0.00 0.02 2.33 5.08 -1.50 -2.29 114.58 118.52 1gqt h GLU 300 Ca 0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1gqt h GLU 300 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1gqt h GLU 300 CO -0.41 0.60 -0.01 0.82 -1.00 0.00 0.00 179.01 179.01 1gqt h ILE 301 N 0.00 1.42 -0.23 3.13 2.04 -0.65 -1.90 117.51 121.33 1gqt h ILE 301 Ca -0.01 -1.38 0.06 0.00 1.00 0.00 0.00 64.86 64.53 1gqt h ILE 301 Cb 1.07 2.34 -0.07 0.00 -0.74 0.00 0.00 36.82 39.43 1gqt h ILE 301 CO 0.08 0.35 -0.22 0.44 0.00 0.00 0.00 178.15 178.80 1gqt h ASP 302 N -0.62 -0.70 -0.95 1.72 3.32 -1.31 0.31 116.42 118.19 1gqt h ASP 302 Ca -0.00 0.13 0.13 0.00 0.02 0.00 0.00 57.03 57.31 1gqt h ASP 302 Cb 0.59 0.34 -0.09 0.00 0.22 0.00 0.00 39.33 40.39 1gqt h ASP 302 CO 0.00 -0.26 0.57 0.00 -1.72 0.00 0.00 179.24 177.83 1gqt h ALA 303 N 0.84 1.44 -0.06 3.45 0.00 -1.42 -0.68 119.26 122.82 1gqt h ALA 303 Ca 0.13 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 1gqt h ALA 303 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1gqt h ALA 303 CO -0.36 0.10 -0.70 0.35 0.00 0.00 0.00 179.25 178.64 1gqt h PHE 304 N 0.86 0.42 0.09 0.00 3.04 -0.70 -2.04 116.94 118.61 1gqt h PHE 304 Ca 0.49 -0.18 -0.00 0.00 3.98 0.00 0.00 57.97 62.25 1gqt h PHE 304 Cb 0.56 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.01 1gqt h PHE 304 CO -0.03 0.91 -0.04 -0.07 -2.02 0.00 0.00 178.31 177.06 1gqt h LEU 305 N 0.21 -0.11 -1.17 0.59 3.38 0.39 -2.64 115.31 115.97 1gqt h LEU 305 Ca -0.02 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1gqt h LEU 305 Cb 1.26 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1gqt h LEU 305 CO 0.11 0.39 0.00 0.47 0.09 0.00 0.00 178.44 179.51 1gqt n ASP 306 N -4.91 0.55 0.03 -0.43 8.00 -0.40 -3.59 116.55 115.80 1gqt n ASP 306 Ca -0.08 0.72 -0.02 0.00 0.71 0.00 0.00 54.79 56.12 1gqt n ASP 306 Cb 0.26 -0.81 -0.01 0.00 -0.02 0.00 0.00 41.12 40.55 1gqt n ASP 306 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1gqt h ARG 307 N 0.00 -0.11 -0.01 -1.24 3.08 -0.97 -3.51 114.38 111.62 1gqt h ARG 307 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1gqt h ARG 307 Cb 0.09 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1gqt h ARG 307 CO 0.00 -0.08 0.00 1.04 -1.07 0.00 0.00 179.97 179.86