#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9a s SER 7 N 0.00 6.45 0.24 0.00 1.04 -1.26 -4.98 113.70 115.20 1k9a s SER 7 Ca 0.00 2.09 -0.30 0.00 0.48 0.00 0.00 55.95 58.21 1k9a s SER 7 Cb 0.00 -2.58 -0.11 0.00 0.10 0.00 0.00 66.02 63.43 1k9a s SER 7 CO 0.00 -0.71 1.54 0.26 0.98 0.00 0.00 173.24 175.31 1k9a s TRP 8 N -1.71 2.93 0.48 5.02 0.51 -1.26 -4.98 118.94 119.92 1k9a s TRP 8 Ca 0.62 0.80 -0.21 0.00 -2.12 0.00 0.00 56.10 55.20 1k9a s TRP 8 Cb -0.22 -3.96 -0.08 0.00 -0.81 0.00 0.00 33.47 28.40 1k9a s TRP 8 CO 0.28 -3.28 1.04 -2.14 -0.51 0.00 0.00 176.95 172.34 1k9a s PRO 9 N 0.03 3.83 0.34 4.98 0.02 -1.26 -4.59 135.00 138.34 1k9a s PRO 9 Ca 0.64 1.38 -0.28 0.00 0.02 0.00 0.00 61.00 62.76 1k9a s PRO 9 Cb -0.45 -2.14 -0.12 0.00 0.02 0.00 0.00 34.50 31.82 1k9a s PRO 9 CO 0.41 -0.41 1.38 0.45 -0.33 0.00 0.00 177.00 178.50 1k9a n SER 10 N -0.88 3.14 0.00 2.53 2.88 -1.26 -2.13 113.62 117.90 1k9a n SER 10 Ca 0.09 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 1k9a n SER 10 Cb 0.52 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 1k9a n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1k9a n GLY 11 N 0.92 3.42 3.71 0.46 0.00 0.16 -5.00 105.19 108.86 1k9a n GLY 11 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1k9a n GLY 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k9a n THR 12 N -1.70 2.85 -3.93 2.61 -1.04 -0.90 -4.59 114.28 107.58 1k9a n THR 12 Ca 0.00 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.16 1k9a n THR 12 Cb 0.00 -1.57 -0.13 0.00 -1.82 0.00 0.00 70.33 66.81 1k9a n THR 12 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1k9a s GLU 13 N -2.37 3.61 0.00 -2.82 2.02 -1.26 -0.20 118.70 117.68 1k9a s GLU 13 Ca 0.64 -0.51 0.08 0.00 0.02 0.00 0.00 54.97 55.19 1k9a s GLU 13 Cb -0.48 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 30.56 1k9a s GLU 13 CO 0.56 -0.08 -0.24 0.00 0.02 0.00 0.00 175.26 175.51 1k9a s ILE 15 N -0.64 5.30 -0.01 0.00 -1.09 0.69 -1.16 121.20 124.29 1k9a s ILE 15 Ca 0.10 0.55 -0.30 0.00 -2.23 0.00 0.00 60.65 58.76 1k9a s ILE 15 Cb -0.09 -3.62 -0.07 0.00 -1.58 0.00 0.00 42.46 37.10 1k9a s ILE 15 CO -0.00 0.43 1.76 0.00 -1.23 0.00 0.00 174.94 175.90 1k9a s ALA 16 N 0.18 3.62 -0.20 9.38 0.00 -0.16 -0.88 121.76 133.71 1k9a s ALA 16 Ca 0.17 1.10 0.17 0.00 0.00 0.00 0.00 51.96 53.40 1k9a s ALA 16 Cb -0.13 -3.77 0.08 0.00 0.00 0.00 0.00 23.12 19.29 1k9a s ALA 16 CO 0.05 -1.42 1.37 0.87 0.00 0.00 0.00 175.76 176.64 1k9a h LYS 17 N 9.72 0.00 -3.91 0.00 1.57 -0.91 0.07 116.57 123.12 1k9a h LYS 17 Ca -0.43 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.20 1k9a h LYS 17 Cb 1.20 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.42 1k9a h LYS 17 CO 0.95 0.38 -0.20 0.71 -0.57 0.00 0.00 179.45 180.72 1k9a s TYR 18 N -3.01 0.67 0.36 -1.35 2.02 -1.25 -4.85 117.35 109.94 1k9a s TYR 18 Ca 0.03 -0.99 -0.25 0.00 -0.37 0.00 0.00 57.07 55.50 1k9a s TYR 18 Cb 0.07 0.02 -0.10 0.00 -0.40 0.00 0.00 41.96 41.56 1k9a s TYR 18 CO 0.74 -1.00 0.99 -0.80 -1.57 0.00 0.00 175.55 173.92 1k9a s ASN 19 N -3.10 7.09 -0.14 2.29 0.01 -1.26 -3.45 114.94 116.38 1k9a s ASN 19 Ca 0.27 1.91 0.01 0.00 -0.71 0.00 0.00 52.86 54.34 1k9a s ASN 19 Cb 0.00 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.10 1k9a s ASN 19 CO 0.13 -0.25 -0.16 0.12 -1.51 0.00 0.00 177.10 175.43 1k9a s PHE 20 N -1.67 2.22 -1.07 2.20 5.36 0.30 -4.91 117.98 120.40 1k9a s PHE 20 Ca 0.54 -1.18 0.23 0.00 -0.96 0.00 0.00 56.93 55.55 1k9a s PHE 20 Cb -0.19 -1.60 0.06 0.00 -0.34 0.00 0.00 43.02 40.95 1k9a s PHE 20 CO 0.25 -0.62 1.10 0.72 -1.46 0.00 0.00 175.22 175.21 1k9a n HIS 21 N 4.52 0.00 0.00 10.12 8.25 -1.26 -2.10 115.22 134.75 1k9a n HIS 21 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1k9a n HIS 21 Cb 0.51 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.53 1k9a n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k9a n GLY 22 N 1.49 2.15 0.00 -1.41 0.00 -1.26 -4.80 105.19 101.36 1k9a n GLY 22 Ca 0.05 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1k9a n GLY 22 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k9a n THR 23 N 1.98 0.00 -3.76 2.61 -2.24 -1.26 -5.08 114.28 106.53 1k9a n THR 23 Ca 0.00 -0.46 -0.08 0.00 -2.27 0.00 0.00 64.05 61.24 1k9a n THR 23 Cb 0.00 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.21 1k9a n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k9a s ALA 24 N -0.87 -1.21 0.48 6.98 0.00 -1.26 -5.05 121.76 120.82 1k9a s ALA 24 Ca 0.00 -0.16 0.14 0.00 0.00 0.00 0.00 51.96 51.94 1k9a s ALA 24 Cb 0.00 0.87 1.12 0.00 0.00 0.00 0.00 23.12 25.11 1k9a s ALA 24 CO 0.00 -0.94 2.08 0.93 0.00 0.00 0.00 175.76 177.83 1k9a h GLU 25 N 2.04 0.22 0.00 0.00 4.39 -2.02 -1.42 114.58 117.80 1k9a h GLU 25 Ca -0.24 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1k9a h GLU 25 Cb 1.26 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1k9a h GLU 25 CO 0.29 0.15 0.00 0.00 -1.16 0.00 0.00 179.01 178.28 1k9a n GLN 26 N -4.49 0.12 -2.53 2.33 10.64 -1.26 -4.86 117.38 117.32 1k9a n GLN 26 Ca 0.02 0.07 -0.35 0.00 -1.83 0.00 0.00 57.00 54.90 1k9a n GLN 26 Cb 0.17 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 28.01 1k9a n GLN 26 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1k9a s ASP 27 N -2.85 6.55 -0.37 2.61 1.11 -0.54 -0.26 116.67 122.92 1k9a s ASP 27 Ca 0.16 2.00 -0.05 0.00 0.18 0.00 0.00 52.55 54.84 1k9a s ASP 27 Cb 0.16 -2.58 0.07 0.00 1.07 0.00 0.00 42.92 41.65 1k9a s ASP 27 CO 0.42 -0.64 0.15 -0.22 1.18 0.00 0.00 175.17 176.07 1k9a s LEU 28 N -3.02 4.70 0.84 1.23 2.96 -0.51 -4.60 118.68 120.27 1k9a s LEU 28 Ca 0.62 -1.50 -0.11 0.00 -0.22 0.00 0.00 54.13 52.92 1k9a s LEU 28 Cb -0.20 -1.86 0.10 0.00 0.50 0.00 0.00 46.19 44.73 1k9a s LEU 28 CO 0.25 -0.43 1.10 -2.84 -1.32 0.00 0.00 176.35 173.11 1k9a s PRO 29 N 1.31 1.66 0.06 0.98 0.02 -1.26 -4.77 135.00 132.99 1k9a s PRO 29 Ca 0.01 1.20 -0.27 0.00 0.02 0.00 0.00 61.00 61.96 1k9a s PRO 29 Cb -0.21 -1.83 0.09 0.00 0.02 0.00 0.00 34.50 32.57 1k9a s PRO 29 CO -0.00 -2.07 0.89 -0.59 -0.33 0.00 0.00 177.00 174.90 1k9a s PHE 30 N -2.83 -0.29 0.19 6.54 -0.12 -0.89 -4.99 117.98 115.59 1k9a s PHE 30 Ca 0.63 0.10 0.07 0.00 -0.05 0.00 0.00 56.93 57.68 1k9a s PHE 30 Cb -0.19 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 1k9a s PHE 30 CO 0.57 -0.66 0.06 0.00 -0.05 0.00 0.00 175.22 175.14 1k9a n LYS 32 N -0.39 1.84 0.00 0.00 4.81 -1.22 -1.33 118.16 121.87 1k9a n LYS 32 Ca -0.09 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1k9a n LYS 32 Cb 0.56 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 33.26 1k9a n LYS 32 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1k9a n GLY 33 N 2.75 2.35 3.76 3.14 0.00 0.01 -4.96 105.19 112.23 1k9a n GLY 33 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1k9a n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k9a s ASP 34 N -1.50 5.13 -0.22 1.61 1.01 -0.44 -4.66 116.67 117.61 1k9a s ASP 34 Ca 0.00 2.26 -0.10 0.00 0.71 0.00 0.00 52.55 55.43 1k9a s ASP 34 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 1k9a s ASP 34 CO 0.00 -1.63 0.14 -0.69 0.21 0.00 0.00 175.17 173.20 1k9a s VAL 35 N -1.83 5.27 -0.09 -1.27 1.01 -1.26 -0.98 120.40 121.24 1k9a s VAL 35 Ca 0.74 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.89 1k9a s VAL 35 Cb -0.27 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1k9a s VAL 35 CO 0.35 0.39 -0.16 -0.76 0.00 0.00 0.00 175.10 174.92 1k9a s LEU 36 N 0.79 2.58 -0.22 3.92 1.43 -0.31 -4.14 118.68 122.73 1k9a s LEU 36 Ca 0.07 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 52.75 1k9a s LEU 36 Cb -0.13 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1k9a s LEU 36 CO 0.02 0.24 0.11 -0.89 0.23 0.00 0.00 176.35 176.05 1k9a s THR 37 N -0.08 4.96 0.03 5.49 2.01 0.61 -1.45 115.64 127.22 1k9a s THR 37 Ca -0.03 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 1k9a s THR 37 Cb -0.14 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 1k9a s THR 37 CO 0.04 0.39 1.15 -0.63 -0.69 0.00 0.00 174.62 174.88 1k9a s ILE 38 N 0.87 4.24 -0.25 1.82 -1.09 0.72 -0.45 121.20 127.06 1k9a s ILE 38 Ca 0.05 1.61 -0.17 0.00 -2.23 0.00 0.00 60.65 59.91 1k9a s ILE 38 Cb -0.13 -4.03 -0.14 0.00 -1.58 0.00 0.00 42.46 36.58 1k9a s ILE 38 CO 0.03 0.10 -0.16 0.52 -1.23 0.00 0.00 174.94 174.20 1k9a n VAL 39 N 4.03 1.53 -3.63 2.92 0.31 0.79 0.40 118.33 124.68 1k9a n VAL 39 Ca 0.09 -0.24 -0.03 0.00 -0.01 0.00 0.00 64.34 64.14 1k9a n VAL 39 Cb 0.47 -1.96 -0.04 0.00 -0.91 0.00 0.00 33.84 31.40 1k9a n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k9a s ALA 40 N -2.47 -2.10 0.71 3.52 0.00 -0.85 -4.35 121.76 116.22 1k9a s ALA 40 Ca -0.35 1.84 -0.11 0.00 0.00 0.00 0.00 51.96 53.34 1k9a s ALA 40 Cb 0.11 -1.44 0.02 0.00 0.00 0.00 0.00 23.12 21.82 1k9a s ALA 40 CO 0.52 -0.24 1.07 0.54 0.00 0.00 0.00 175.76 177.65 1k9a s VAL 41 N -0.94 3.80 0.45 0.00 0.11 -1.26 0.19 120.40 122.76 1k9a s VAL 41 Ca 0.07 0.60 0.08 0.00 -2.93 0.00 0.00 61.98 59.80 1k9a s VAL 41 Cb -0.01 -3.25 0.08 0.00 -1.53 0.00 0.00 36.38 31.66 1k9a s VAL 41 CO -0.07 -0.75 0.62 0.35 -3.33 0.00 0.00 175.10 171.92 1k9a n THR 42 N -3.19 0.00 -0.24 5.04 -2.24 -0.46 -4.77 114.28 108.42 1k9a n THR 42 Ca 0.08 -1.52 0.19 0.00 -2.27 0.00 0.00 64.05 60.54 1k9a n THR 42 Cb 0.53 -0.61 0.51 0.00 -2.10 0.00 0.00 70.33 68.66 1k9a n THR 42 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1k9a h LYS 43 N 0.00 0.39 -5.13 -0.78 1.79 -1.98 -3.36 116.57 107.51 1k9a h LYS 43 Ca -0.21 -0.02 -0.65 0.00 -2.18 0.00 0.00 60.65 57.58 1k9a h LYS 43 Cb 0.98 -0.09 -0.16 0.00 -1.58 0.00 0.00 32.23 31.38 1k9a h LYS 43 CO 0.30 0.26 -0.15 0.34 -1.08 0.00 0.00 179.45 179.13 1k9a s ASP 44 N -5.63 6.27 0.43 0.86 -1.08 -1.26 -4.95 116.67 111.30 1k9a s ASP 44 Ca -0.08 -0.07 0.21 0.00 -0.52 0.00 0.00 52.55 52.08 1k9a s ASP 44 Cb 0.23 -2.24 1.12 0.00 -1.46 0.00 0.00 42.92 40.57 1k9a s ASP 44 CO 0.78 -0.41 1.58 -0.65 0.52 0.00 0.00 175.17 176.99 1k9a h PRO 45 N 8.43 0.00 0.00 4.34 0.11 -1.99 0.01 132.00 142.91 1k9a h PRO 45 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1k9a h PRO 45 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1k9a h PRO 45 CO 0.74 0.00 -0.22 0.09 -0.21 0.00 0.00 178.00 178.40 1k9a n ASN 46 N -2.36 0.77 -4.19 -2.05 3.02 -1.26 -4.81 115.26 104.39 1k9a n ASN 46 Ca -0.01 0.41 -0.23 0.00 -0.03 0.00 0.00 54.58 54.72 1k9a n ASN 46 Cb 0.27 -0.46 -0.14 0.00 -0.61 0.00 0.00 39.78 38.84 1k9a n ASN 46 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1k9a s TRP 47 N -3.12 1.50 0.12 3.10 0.52 -0.01 -0.10 118.94 120.95 1k9a s TRP 47 Ca 0.09 -0.35 0.06 0.00 0.02 0.00 0.00 56.10 55.93 1k9a s TRP 47 Cb 0.13 -0.90 -0.04 0.00 -1.15 0.00 0.00 33.47 31.51 1k9a s TRP 47 CO 0.64 0.05 -0.15 0.71 0.02 0.00 0.00 176.95 178.22 1k9a s TYR 48 N -0.76 1.48 -0.18 -1.98 1.51 -0.20 -1.36 117.35 115.84 1k9a s TYR 48 Ca 0.05 -0.53 -0.16 0.00 -1.01 0.00 0.00 57.07 55.42 1k9a s TYR 48 Cb -0.08 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 1k9a s TYR 48 CO 0.01 0.17 0.39 0.21 -1.11 0.00 0.00 175.55 175.23 1k9a s LYS 49 N -2.59 4.21 0.29 -0.62 2.20 0.13 -0.34 119.74 123.01 1k9a s LYS 49 Ca 0.09 0.22 0.02 0.00 -0.36 0.00 0.00 55.97 55.94 1k9a s LYS 49 Cb -0.06 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 1k9a s LYS 49 CO 0.04 0.03 0.28 0.00 -0.36 0.00 0.00 175.35 175.33 1k9a s ALA 50 N 1.10 1.40 0.04 3.13 0.00 0.16 -0.15 121.76 127.44 1k9a s ALA 50 Ca 0.20 -1.83 0.03 0.00 0.00 0.00 0.00 51.96 50.36 1k9a s ALA 50 Cb -0.14 1.38 -0.02 0.00 0.00 0.00 0.00 23.12 24.34 1k9a s ALA 50 CO 0.08 -0.67 -0.10 0.15 0.00 0.00 0.00 175.76 175.22 1k9a s LYS 51 N -3.61 0.64 0.52 0.00 1.02 0.41 -1.28 119.74 117.43 1k9a s LYS 51 Ca 0.38 -0.76 0.04 0.00 0.02 0.00 0.00 55.97 55.65 1k9a s LYS 51 Cb 0.03 -0.51 0.10 0.00 -0.52 0.00 0.00 37.83 36.93 1k9a s LYS 51 CO 0.21 0.11 0.72 0.27 -0.92 0.00 0.00 175.35 175.74 1k9a n ASN 52 N 1.60 1.39 0.00 2.83 0.23 -0.65 -0.28 115.26 120.38 1k9a n ASN 52 Ca -0.21 -2.08 0.02 0.00 -0.53 0.00 0.00 54.58 51.79 1k9a n ASN 52 Cb 0.55 -0.43 0.10 0.00 -2.08 0.00 0.00 39.78 37.92 1k9a n ASN 52 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1k9a n LYS 53 N -2.24 0.04 -0.00 -3.83 2.85 -1.26 -1.65 118.16 112.08 1k9a n LYS 53 Ca 0.13 0.30 0.04 0.00 -1.05 0.00 0.00 58.31 57.74 1k9a n LYS 53 Cb 0.48 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.40 1k9a n LYS 53 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1k9a n VAL 54 N -1.35 0.03 -0.01 0.58 3.14 -1.26 -4.99 118.33 114.47 1k9a n VAL 54 Ca 0.02 -0.52 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1k9a n VAL 54 Cb 0.04 1.16 0.00 0.00 -1.06 0.00 0.00 33.84 33.98 1k9a n VAL 54 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1k9a n GLY 55 N 0.49 0.24 3.77 7.55 0.00 -0.66 -5.06 105.19 111.51 1k9a n GLY 55 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1k9a n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k9a s ARG 56 N -0.94 4.22 -0.03 1.61 0.52 -1.26 -4.74 118.95 118.34 1k9a s ARG 56 Ca 0.00 2.40 0.08 0.00 -0.52 0.00 0.00 55.73 57.69 1k9a s ARG 56 Cb 0.00 -3.03 -0.02 0.00 0.52 0.00 0.00 34.95 32.42 1k9a s ARG 56 CO 0.00 -0.40 -0.25 -2.00 0.02 0.00 0.00 175.30 172.66 1k9a s GLU 57 N -1.54 2.17 -0.01 3.54 2.12 -1.26 -1.64 118.70 122.07 1k9a s GLU 57 Ca 0.54 -0.91 -0.24 0.00 0.36 0.00 0.00 54.97 54.72 1k9a s GLU 57 Cb -0.44 -2.07 0.08 0.00 0.26 0.00 0.00 34.13 31.96 1k9a s GLU 57 CO 0.55 0.55 1.07 0.41 -0.54 0.00 0.00 175.26 177.30 1k9a n GLY 58 N 2.47 0.29 3.78 -1.50 0.00 -0.40 -4.83 105.19 104.99 1k9a n GLY 58 Ca -0.16 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 1k9a n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k9a s ILE 59 N -2.04 4.93 0.08 -0.61 -1.09 0.64 -0.67 121.20 122.44 1k9a s ILE 59 Ca 0.25 1.13 0.04 0.00 -2.23 0.00 0.00 60.65 59.85 1k9a s ILE 59 Cb -0.01 -3.87 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 1k9a s ILE 59 CO -0.00 0.46 -0.12 0.27 -1.23 0.00 0.00 174.94 174.31 1k9a s ILE 60 N -0.40 1.01 -0.11 2.92 -4.36 0.53 -1.43 121.20 119.37 1k9a s ILE 60 Ca 0.29 -1.37 -0.20 0.00 -0.26 0.00 0.00 60.65 59.11 1k9a s ILE 60 Cb -0.18 -1.10 -0.04 0.00 1.25 0.00 0.00 42.46 42.40 1k9a s ILE 60 CO 0.16 -0.33 0.55 -2.16 0.24 0.00 0.00 174.94 173.39 1k9a s PRO 61 N -2.00 4.35 0.23 0.37 0.04 -1.26 -1.04 135.00 135.69 1k9a s PRO 61 Ca -0.01 0.57 -0.07 0.00 0.04 0.00 0.00 61.00 61.53 1k9a s PRO 61 Cb -0.08 -3.46 0.40 0.00 0.04 0.00 0.00 34.50 31.40 1k9a s PRO 61 CO 0.02 0.09 1.71 0.00 0.04 0.00 0.00 177.00 178.85 1k9a h ALA 62 N 6.82 0.89 -0.02 8.56 0.00 -0.82 -0.96 119.26 133.73 1k9a h ALA 62 Ca -0.40 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1k9a h ALA 62 Cb 1.18 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1k9a h ALA 62 CO 0.76 -0.29 0.23 -0.97 0.00 0.00 0.00 179.25 178.97 1k9a h ASN 63 N 0.32 0.00 0.62 0.00 -1.24 -1.94 -1.07 115.58 112.26 1k9a h ASN 63 Ca 0.38 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.39 1k9a h ASN 63 Cb 0.59 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.64 1k9a h ASN 63 CO -0.44 0.00 -0.33 -1.22 -1.29 0.00 0.00 177.43 174.15 1k9a n TYR 64 N -3.02 0.00 -4.39 0.67 4.02 -0.37 -4.92 117.16 109.15 1k9a n TYR 64 Ca -0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.68 1k9a n TYR 64 Cb 0.29 -0.31 -0.10 0.00 -0.02 0.00 0.00 39.34 39.20 1k9a n TYR 64 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1k9a s VAL 65 N -2.95 1.20 -0.08 -0.72 -7.23 -0.41 -0.18 120.40 110.03 1k9a s VAL 65 Ca 0.13 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 1k9a s VAL 65 Cb 0.18 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.62 1k9a s VAL 65 CO 0.63 -0.19 0.03 -1.58 -0.31 0.00 0.00 175.10 173.68 1k9a s GLN 66 N -3.85 0.32 0.27 4.82 0.74 -0.05 -4.87 119.66 117.04 1k9a s GLN 66 Ca 0.32 0.16 -0.30 0.00 0.05 0.00 0.00 55.36 55.59 1k9a s GLN 66 Cb 0.06 -0.95 -0.14 0.00 1.10 0.00 0.00 33.01 33.09 1k9a s GLN 66 CO 0.12 -0.36 1.23 1.17 -0.55 0.00 0.00 175.29 176.89 1k9a n LYS 67 N 5.21 1.75 -4.16 1.67 4.81 -1.26 -0.22 118.16 125.95 1k9a n LYS 67 Ca -0.06 0.62 -0.34 0.00 -0.87 0.00 0.00 58.31 57.66 1k9a n LYS 67 Cb 0.50 -2.15 -0.11 0.00 0.02 0.00 0.00 35.03 33.28 1k9a n LYS 67 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1k9a s ARG 68 N -1.15 3.77 0.26 1.64 3.52 0.83 -3.70 118.95 124.11 1k9a s ARG 68 Ca 0.62 -0.45 -0.02 0.00 -0.13 0.00 0.00 55.73 55.75 1k9a s ARG 68 Cb -0.67 -3.08 -0.02 0.00 -1.56 0.00 0.00 34.95 29.62 1k9a s ARG 68 CO 0.57 0.18 0.28 -1.83 -0.81 0.00 0.00 175.30 173.69 1k9a s GLU 69 N 0.57 1.49 0.46 5.12 -1.05 -0.50 -4.65 118.70 120.14 1k9a s GLU 69 Ca 0.00 -1.65 -0.24 0.00 -0.15 0.00 0.00 54.97 52.93 1k9a s GLU 69 Cb -0.14 0.35 -0.07 0.00 -0.44 0.00 0.00 34.13 33.83 1k9a s GLU 69 CO 0.02 -0.55 1.28 0.20 0.95 0.00 0.00 175.26 177.16 1k9a s GLY 70 N -3.19 2.87 -0.38 -3.83 0.00 -1.26 -4.85 107.32 96.69 1k9a s GLY 70 Ca 0.35 1.18 -0.04 0.00 0.00 0.00 0.00 44.72 46.21 1k9a s GLY 70 CO 0.16 1.71 0.15 0.14 0.00 0.00 0.00 173.10 175.26 1k9a s VAL 71 N -1.35 3.39 -0.84 1.40 1.01 -1.26 -4.98 120.40 117.76 1k9a s VAL 71 Ca 0.63 -1.72 0.25 0.00 0.00 0.00 0.00 61.98 61.14 1k9a s VAL 71 Cb -0.36 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 32.88 1k9a s VAL 71 CO 0.45 -0.48 1.36 0.29 0.00 0.00 0.00 175.10 176.72 1k9a n LYS 72 N 4.66 0.13 -0.41 2.72 5.02 -1.26 -4.38 118.16 124.64 1k9a n LYS 72 Ca -0.07 0.03 0.35 0.00 -2.02 0.00 0.00 58.31 56.60 1k9a n LYS 72 Cb 0.42 -1.57 0.60 0.00 -0.02 0.00 0.00 35.03 34.46 1k9a n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k9a n ALA 73 N -1.64 1.19 -0.88 7.82 0.00 -1.26 -4.77 120.51 120.97 1k9a n ALA 73 Ca 0.04 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.27 1k9a n ALA 73 Cb 0.38 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1k9a n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k9a n GLY 74 N -1.44 3.90 0.00 0.00 0.00 -1.26 -2.10 105.19 104.29 1k9a n GLY 74 Ca 0.36 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.50 1k9a n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k9a n THR 75 N 0.00 0.00 0.55 2.61 -2.24 -1.26 -3.14 114.28 110.80 1k9a n THR 75 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1k9a n THR 75 Cb 0.00 -0.53 0.26 0.00 -2.10 0.00 0.00 70.33 67.96 1k9a n THR 75 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1k9a n LYS 76 N -0.93 2.16 -2.79 -0.78 5.02 -0.89 -4.91 118.16 115.03 1k9a n LYS 76 Ca 0.17 -1.78 -0.40 0.00 -2.02 0.00 0.00 58.31 54.27 1k9a n LYS 76 Cb 0.08 -1.43 -0.06 0.00 -0.02 0.00 0.00 35.03 33.60 1k9a n LYS 76 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k9a s LEU 77 N -1.25 4.61 -0.04 -0.35 1.43 -1.19 0.11 118.68 122.00 1k9a s LEU 77 Ca 0.35 1.86 -0.04 0.00 -1.03 0.00 0.00 54.13 55.28 1k9a s LEU 77 Cb 0.19 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.88 1k9a s LEU 77 CO 0.26 0.13 0.11 -0.55 0.23 0.00 0.00 176.35 176.53 1k9a s SER 78 N -0.98 -0.11 0.00 2.29 0.15 0.80 -4.81 113.70 111.05 1k9a s SER 78 Ca 0.41 0.22 0.30 0.00 0.70 0.00 0.00 55.95 57.58 1k9a s SER 78 Cb -0.25 0.21 1.51 0.00 -1.71 0.00 0.00 66.02 65.78 1k9a s SER 78 CO 0.30 -0.05 2.02 0.18 1.20 0.00 0.00 173.24 176.90 1k9a n LEU 79 N 3.14 0.33 -3.21 3.45 4.77 -1.26 -1.86 117.00 122.36 1k9a n LEU 79 Ca -0.14 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.60 1k9a n LEU 79 Cb 0.58 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1k9a n LEU 79 CO 0.22 0.06 -0.29 0.23 -1.33 0.00 0.00 177.39 176.28 1k9a n MET 80 N -0.90 0.64 -0.03 3.23 2.81 -1.26 -4.95 117.12 116.66 1k9a n MET 80 Ca 0.18 -3.19 -0.13 0.00 -1.81 0.00 0.00 57.70 52.76 1k9a n MET 80 Cb 0.22 -1.28 -0.08 0.00 -0.71 0.00 0.00 33.22 31.37 1k9a n MET 80 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1k9a h PRO 81 N 4.22 0.16 0.00 0.03 0.11 -1.88 -2.92 132.00 131.72 1k9a h PRO 81 Ca 0.09 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1k9a h PRO 81 Cb 0.89 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1k9a h PRO 81 CO 0.44 0.54 0.00 -2.67 -0.21 0.00 0.00 178.00 176.10 1k9a n TRP 82 N -4.76 0.00 -3.34 0.65 4.27 -1.26 -2.31 117.44 110.69 1k9a n TRP 82 Ca -0.07 0.00 -0.46 0.00 -3.89 0.00 0.00 57.50 53.08 1k9a n TRP 82 Cb 0.26 -0.01 -0.03 0.00 -1.36 0.00 0.00 31.31 30.16 1k9a n TRP 82 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1k9a s PHE 83 N -2.03 3.59 0.00 -2.67 5.36 -1.10 -1.42 117.98 119.71 1k9a s PHE 83 Ca 0.08 -1.79 0.00 0.00 -0.96 0.00 0.00 56.93 54.26 1k9a s PHE 83 Cb 0.04 -3.79 0.00 0.00 -0.34 0.00 0.00 43.02 38.93 1k9a s PHE 83 CO 0.07 -1.00 0.00 0.72 -1.46 0.00 0.00 175.22 173.55 1k9a n HIS 84 N 4.37 0.00 0.00 10.12 8.25 -1.08 -4.92 115.22 131.96 1k9a n HIS 84 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1k9a n HIS 84 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1k9a n HIS 84 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k9a n GLY 85 N 2.56 -0.64 3.29 -1.41 0.00 -1.25 -4.99 105.19 102.75 1k9a n GLY 85 Ca 0.00 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 1k9a n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k9a n LYS 86 N 0.00 2.16 -4.87 1.61 5.02 -1.26 -1.97 118.16 118.85 1k9a n LYS 86 Ca 0.00 -2.50 -0.29 0.00 -2.02 0.00 0.00 58.31 53.49 1k9a n LYS 86 Cb 0.00 -3.37 -0.17 0.00 -0.02 0.00 0.00 35.03 31.47 1k9a n LYS 86 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1k9a s ILE 87 N 6.38 1.69 0.40 -0.18 -4.36 -1.26 -5.01 121.20 118.85 1k9a s ILE 87 Ca 0.58 -0.79 -0.23 0.00 -0.26 0.00 0.00 60.65 59.95 1k9a s ILE 87 Cb 0.07 -1.49 -0.13 0.00 1.25 0.00 0.00 42.46 42.16 1k9a s ILE 87 CO 0.08 0.48 0.51 1.07 0.24 0.00 0.00 174.94 177.32 1k9a n THR 88 N 3.75 1.65 0.16 8.37 5.66 -1.26 -4.73 114.28 127.88 1k9a n THR 88 Ca -0.20 -0.50 0.01 0.00 -3.05 0.00 0.00 64.05 60.31 1k9a n THR 88 Cb 0.52 -0.46 0.08 0.00 -1.55 0.00 0.00 70.33 68.92 1k9a n THR 88 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1k9a n ARG 89 N 0.72 0.06 -0.09 1.09 -4.01 -1.26 -2.46 116.66 110.72 1k9a n ARG 89 Ca 0.12 0.15 -0.12 0.00 -1.04 0.00 0.00 57.85 56.96 1k9a n ARG 89 Cb 0.38 -1.50 -0.05 0.00 -3.04 0.00 0.00 32.46 28.25 1k9a n ARG 89 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1k9a n GLU 90 N -1.17 0.51 0.00 2.89 4.71 -1.26 -3.51 120.64 122.81 1k9a n GLU 90 Ca 0.02 0.47 0.01 0.00 -0.01 0.00 0.00 57.16 57.65 1k9a n GLU 90 Cb 0.02 -1.65 0.04 0.00 -1.01 0.00 0.00 31.44 28.84 1k9a n GLU 90 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1k9a n GLN 91 N -4.51 0.06 -0.09 3.49 10.64 -1.03 -0.44 117.38 125.50 1k9a n GLN 91 Ca -0.20 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 54.85 1k9a n GLN 91 Cb 0.48 -1.35 -0.10 0.00 -0.86 0.00 0.00 30.24 28.41 1k9a n GLN 91 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1k9a n ALA 92 N -0.85 1.58 0.29 2.61 0.00 -1.19 -4.03 120.51 118.92 1k9a n ALA 92 Ca 0.01 -0.90 0.17 0.00 0.00 0.00 0.00 53.44 52.72 1k9a n ALA 92 Cb 0.00 0.01 0.84 0.00 0.00 0.00 0.00 19.45 20.30 1k9a n ALA 92 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1k9a h GLU 93 N 0.00 0.00 0.00 0.00 5.08 -0.79 0.35 114.58 119.22 1k9a h GLU 93 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1k9a h GLU 93 Cb 1.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1k9a h GLU 93 CO -0.05 0.05 -0.40 2.89 -1.00 0.00 0.00 179.01 180.50 1k9a n ARG 94 N -3.26 0.19 0.12 2.33 1.85 -1.07 -1.98 116.66 114.84 1k9a n ARG 94 Ca -0.01 0.08 0.12 0.00 -1.00 0.00 0.00 57.85 57.04 1k9a n ARG 94 Cb 0.23 -1.65 0.17 0.00 -1.05 0.00 0.00 32.46 30.16 1k9a n ARG 94 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 1k9a h LEU 95 N 0.00 0.00 -2.97 2.89 3.38 -0.46 -3.18 115.31 114.97 1k9a h LEU 95 Ca 0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1k9a h LEU 95 Cb 0.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1k9a h LEU 95 CO 0.00 0.04 -0.37 0.18 0.09 0.00 0.00 178.44 178.37 1k9a n LEU 96 N -2.50 2.43 -0.04 1.67 4.32 -0.87 -4.87 117.00 117.14 1k9a n LEU 96 Ca 0.03 -3.47 -0.10 0.00 -0.02 0.00 0.00 56.01 52.45 1k9a n LEU 96 Cb 0.49 -0.46 -0.04 0.00 -1.62 0.00 0.00 43.42 41.79 1k9a n LEU 96 CO 0.36 1.11 0.61 0.22 -1.22 0.00 0.00 177.39 178.47 1k9a h TYR 97 N 0.66 -1.05 -2.45 -1.77 3.20 -1.38 -3.38 116.97 110.81 1k9a h TYR 97 Ca -0.01 0.05 -0.55 0.00 3.14 0.00 0.00 58.73 61.36 1k9a h TYR 97 Cb 1.06 0.49 -0.03 0.00 1.54 0.00 0.00 36.73 39.79 1k9a h TYR 97 CO 0.47 -0.43 1.30 -2.14 -1.64 0.00 0.00 178.16 175.72 1k9a s PRO 98 N -5.94 3.07 -0.90 1.82 0.02 -1.26 -4.87 135.00 126.95 1k9a s PRO 98 Ca -0.15 1.10 -0.19 0.00 0.02 0.00 0.00 61.00 61.78 1k9a s PRO 98 Cb 0.11 -4.26 -0.24 0.00 0.02 0.00 0.00 34.50 30.13 1k9a s PRO 98 CO 0.66 -2.18 2.35 -2.30 -0.33 0.00 0.00 177.00 175.20 1k9a n PRO 99 N 8.68 0.24 -4.19 5.54 -0.02 -1.26 -4.92 135.00 139.08 1k9a n PRO 99 Ca 0.22 -0.21 -0.33 0.00 -2.02 0.00 0.00 63.50 61.15 1k9a n PRO 99 Cb 0.49 -2.02 -0.15 0.00 -0.02 0.00 0.00 33.50 31.80 1k9a n PRO 99 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1k9a s GLU 100 N 7.99 3.13 -0.82 -0.52 2.12 -1.26 -4.91 118.70 124.42 1k9a s GLU 100 Ca 1.20 -0.77 -0.25 0.00 0.36 0.00 0.00 54.97 55.51 1k9a s GLU 100 Cb -0.68 -2.68 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 1k9a s GLU 100 CO 0.40 -0.15 2.00 0.99 -0.54 0.00 0.00 175.26 177.96 1k9a s THR 101 N 1.21 3.37 0.00 -1.70 2.01 -1.26 -2.67 115.64 116.59 1k9a s THR 101 Ca 0.02 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1k9a s THR 101 Cb -0.14 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.53 1k9a s THR 101 CO -0.07 -0.80 0.00 0.61 -0.69 0.00 0.00 174.62 173.67 1k9a n GLY 102 N 6.61 1.30 3.75 4.40 0.00 -0.89 -4.88 105.19 115.49 1k9a n GLY 102 Ca 0.37 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 1k9a n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k9a s LEU 103 N 0.00 4.34 0.15 0.99 1.98 -1.09 -1.69 118.68 123.36 1k9a s LEU 103 Ca 0.00 2.96 -0.00 0.00 -2.89 0.00 0.00 54.13 54.19 1k9a s LEU 103 Cb 0.00 -3.64 -0.04 0.00 0.66 0.00 0.00 46.19 43.17 1k9a s LEU 103 CO 0.00 -0.91 0.05 0.72 -1.89 0.00 0.00 176.35 174.33 1k9a s PHE 104 N -0.13 0.96 0.02 5.38 -0.12 -0.47 -0.86 117.98 122.76 1k9a s PHE 104 Ca 0.62 -1.21 -0.19 0.00 -0.05 0.00 0.00 56.93 56.10 1k9a s PHE 104 Cb -0.48 -0.53 0.04 0.00 -0.63 0.00 0.00 43.02 41.42 1k9a s PHE 104 CO 0.49 -0.47 0.42 -1.17 -0.05 0.00 0.00 175.22 174.44 1k9a s LEU 105 N -3.08 0.39 -0.12 -1.99 1.98 -0.24 -1.25 118.68 114.37 1k9a s LEU 105 Ca 0.25 0.11 0.01 0.00 -2.89 0.00 0.00 54.13 51.62 1k9a s LEU 105 Cb 0.07 1.71 0.02 0.00 0.66 0.00 0.00 46.19 48.66 1k9a s LEU 105 CO 0.03 -0.60 -0.13 -0.69 -1.89 0.00 0.00 176.35 173.07 1k9a s VAL 106 N -2.00 1.41 0.23 1.68 1.01 -0.50 -0.85 120.40 121.37 1k9a s VAL 106 Ca -0.08 -0.56 0.11 0.00 0.00 0.00 0.00 61.98 61.44 1k9a s VAL 106 Cb -0.02 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1k9a s VAL 106 CO 0.01 0.43 -0.21 0.00 0.00 0.00 0.00 175.10 175.33 1k9a s ARG 107 N 1.23 1.55 -0.17 2.72 1.70 -0.84 -2.62 118.95 122.52 1k9a s ARG 107 Ca -0.02 -1.63 -0.29 0.00 -0.47 0.00 0.00 55.73 53.32 1k9a s ARG 107 Cb -0.14 -1.69 -0.00 0.00 -0.57 0.00 0.00 34.95 32.55 1k9a s ARG 107 CO -0.05 0.34 1.04 -1.21 -1.08 0.00 0.00 175.30 174.34 1k9a s GLU 108 N -3.14 4.33 -0.03 3.89 2.02 -0.83 0.34 118.70 125.28 1k9a s GLU 108 Ca 0.24 1.40 -0.03 0.00 0.02 0.00 0.00 54.97 56.60 1k9a s GLU 108 Cb -0.06 -3.60 -0.04 0.00 0.10 0.00 0.00 34.13 30.53 1k9a s GLU 108 CO 0.12 -0.49 0.17 0.71 0.02 0.00 0.00 175.26 175.79 1k9a s TYR 116 N 2.65 3.54 -0.06 1.61 4.12 -1.25 -4.75 117.35 123.21 1k9a s TYR 116 Ca 0.47 0.37 -0.04 0.00 0.02 0.00 0.00 57.07 57.89 1k9a s TYR 116 Cb -0.17 -1.84 0.03 0.00 -1.52 0.00 0.00 41.96 38.46 1k9a s TYR 116 CO 0.12 0.65 0.15 0.99 0.02 0.00 0.00 175.55 177.48 1k9a s THR 117 N -1.27 -0.03 -0.42 -0.71 2.01 0.15 0.23 115.64 115.61 1k9a s THR 117 Ca 0.25 0.10 -0.15 0.00 0.31 0.00 0.00 61.69 62.20 1k9a s THR 117 Cb -0.12 -0.23 0.03 0.00 0.01 0.00 0.00 72.50 72.19 1k9a s THR 117 CO 0.16 0.04 0.31 -0.22 -0.69 0.00 0.00 174.62 174.22 1k9a s LEU 118 N 0.68 5.19 -0.41 4.42 2.96 0.41 -2.00 118.68 129.93 1k9a s LEU 118 Ca -0.05 -1.01 -0.10 0.00 -0.22 0.00 0.00 54.13 52.75 1k9a s LEU 118 Cb -0.07 -2.15 0.06 0.00 0.50 0.00 0.00 46.19 44.54 1k9a s LEU 118 CO -0.03 -0.49 0.26 0.00 -1.32 0.00 0.00 176.35 174.77 1k9a s VAL 120 N 1.48 3.16 -0.60 0.00 1.01 -0.96 -1.08 120.40 123.42 1k9a s VAL 120 Ca 0.03 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.11 1k9a s VAL 120 Cb -0.22 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.83 1k9a s VAL 120 CO 0.04 0.51 1.39 -0.55 0.00 0.00 0.00 175.10 176.49 1k9a s SER 121 N 0.42 6.12 0.11 3.32 0.15 -0.04 -2.73 113.70 121.06 1k9a s SER 121 Ca -0.09 0.13 0.08 0.00 0.70 0.00 0.00 55.95 56.77 1k9a s SER 121 Cb -0.16 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 1k9a s SER 121 CO 0.05 -1.74 -0.16 0.00 1.20 0.00 0.00 173.24 172.59 1k9a n GLU 123 N 0.80 -1.98 -0.52 0.00 0.28 -1.26 0.20 120.64 118.17 1k9a n GLU 123 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.85 1k9a n GLU 123 Cb 0.53 -3.06 0.00 0.00 1.43 0.00 0.00 31.44 30.33 1k9a n GLU 123 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1k9a n GLY 124 N -0.26 0.72 3.23 -1.84 0.00 -1.26 -5.08 105.19 100.69 1k9a n GLY 124 Ca 0.00 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 1k9a n GLY 124 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k9a s LYS 125 N -0.69 0.98 -1.02 1.61 2.20 0.55 -4.96 119.74 118.41 1k9a s LYS 125 Ca 0.00 -1.16 -0.19 0.00 -0.36 0.00 0.00 55.97 54.26 1k9a s LYS 125 Cb 0.00 -0.92 0.11 0.00 -1.51 0.00 0.00 37.83 35.52 1k9a s LYS 125 CO 0.00 0.19 1.29 0.14 -0.36 0.00 0.00 175.35 176.61 1k9a s VAL 126 N -1.85 4.54 0.12 4.02 -7.23 -1.26 -1.57 120.40 117.15 1k9a s VAL 126 Ca 0.06 -1.56 -0.30 0.00 -1.81 0.00 0.00 61.98 58.37 1k9a s VAL 126 Cb -0.07 -4.89 -0.06 0.00 0.56 0.00 0.00 36.38 31.92 1k9a s VAL 126 CO 0.03 -1.66 1.10 -1.61 -0.31 0.00 0.00 175.10 172.64 1k9a s GLU 127 N 3.18 4.56 -0.31 4.82 0.41 -1.11 -4.96 118.70 125.29 1k9a s GLU 127 Ca 0.39 1.66 0.01 0.00 -0.41 0.00 0.00 54.97 56.62 1k9a s GLU 127 Cb -0.03 -3.33 0.07 0.00 -1.78 0.00 0.00 34.13 29.07 1k9a s GLU 127 CO -0.07 -0.01 0.01 -1.01 -0.49 0.00 0.00 175.26 173.68 1k9a s HIS 128 N 0.30 3.43 -0.28 1.61 3.76 -1.26 -2.26 115.29 120.59 1k9a s HIS 128 Ca 0.52 -2.35 -0.10 0.00 -0.15 0.00 0.00 55.06 52.98 1k9a s HIS 128 Cb -0.28 -2.40 -0.04 0.00 1.11 0.00 0.00 32.58 30.98 1k9a s HIS 128 CO 0.32 -0.89 0.15 0.71 -0.85 0.00 0.00 174.74 174.18 1k9a s TYR 129 N 1.11 3.17 0.06 1.40 1.51 0.17 -4.94 117.35 119.84 1k9a s TYR 129 Ca -0.01 -0.12 -0.30 0.00 -1.01 0.00 0.00 57.07 55.63 1k9a s TYR 129 Cb -0.20 -2.34 -0.05 0.00 -0.11 0.00 0.00 41.96 39.26 1k9a s TYR 129 CO -0.04 -0.26 1.09 1.03 -1.11 0.00 0.00 175.55 176.26 1k9a s ARG 130 N 1.70 4.52 -0.28 -0.62 0.52 -1.26 0.16 118.95 123.68 1k9a s ARG 130 Ca 0.07 1.61 -0.10 0.00 -0.52 0.00 0.00 55.73 56.79 1k9a s ARG 130 Cb -0.16 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 31.90 1k9a s ARG 130 CO 0.08 -0.11 0.16 0.42 0.02 0.00 0.00 175.30 175.87 1k9a s ILE 131 N 0.80 4.90 0.08 1.52 1.01 0.14 -4.60 121.20 125.05 1k9a s ILE 131 Ca 0.54 -0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.89 1k9a s ILE 131 Cb -0.26 -3.38 -0.07 0.00 0.01 0.00 0.00 42.46 38.77 1k9a s ILE 131 CO 0.30 0.21 0.67 -0.04 0.00 0.00 0.00 174.94 176.07 1k9a s MET 132 N 1.69 4.38 -0.66 2.79 -1.94 0.26 -3.90 119.30 121.91 1k9a s MET 132 Ca 0.06 0.91 0.04 0.00 -1.71 0.00 0.00 55.69 55.00 1k9a s MET 132 Cb -0.16 -3.29 0.31 0.00 2.01 0.00 0.00 34.83 33.70 1k9a s MET 132 CO 0.08 0.50 1.01 0.98 -0.01 0.00 0.00 175.02 177.57 1k9a n TYR 133 N 2.10 3.76 -4.15 -0.03 9.36 -1.25 -1.86 117.16 125.09 1k9a n TYR 133 Ca -0.07 -3.84 -0.36 0.00 3.32 0.00 0.00 57.90 56.95 1k9a n TYR 133 Cb 0.50 -0.61 -0.08 0.00 -0.63 0.00 0.00 39.34 38.52 1k9a n TYR 133 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1k9a s HIS 134 N -3.28 3.35 -1.16 2.98 2.46 -0.77 -4.64 115.29 114.24 1k9a s HIS 134 Ca 0.45 0.33 -0.15 0.00 0.47 0.00 0.00 55.06 56.15 1k9a s HIS 134 Cb 0.23 -1.87 -0.02 0.00 -0.13 0.00 0.00 32.58 30.79 1k9a s HIS 134 CO -0.09 0.57 0.78 0.00 -2.47 0.00 0.00 174.74 173.52 1k9a n ALA 135 N 2.15 -2.45 -2.66 1.58 0.00 -1.26 -1.62 120.51 116.25 1k9a n ALA 135 Ca -0.19 -0.18 -0.13 0.00 0.00 0.00 0.00 53.44 52.94 1k9a n ALA 135 Cb 0.54 -3.96 -0.00 0.00 0.00 0.00 0.00 19.45 16.03 1k9a n ALA 135 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k9a n SER 136 N -2.81 -3.38 -4.05 0.00 7.64 -1.26 -4.91 113.62 104.85 1k9a n SER 136 Ca -0.13 0.11 -0.08 0.00 1.01 0.00 0.00 58.87 59.79 1k9a n SER 136 Cb 0.61 -2.88 -0.10 0.00 -1.01 0.00 0.00 64.21 60.82 1k9a n SER 136 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1k9a s LYS 137 N -5.24 0.50 -0.07 1.43 -0.14 -0.64 -4.80 119.74 110.77 1k9a s LYS 137 Ca 0.09 -0.97 0.05 0.00 -1.36 0.00 0.00 55.97 53.78 1k9a s LYS 137 Cb -0.05 0.14 -0.01 0.00 -1.68 0.00 0.00 37.83 36.22 1k9a s LYS 137 CO 0.11 -0.08 -0.21 -0.51 -0.76 0.00 0.00 175.35 173.90 1k9a s LEU 138 N -2.30 2.28 0.09 3.17 1.43 0.18 -1.85 118.68 121.67 1k9a s LEU 138 Ca -0.02 -0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 52.38 1k9a s LEU 138 Cb 0.00 -1.44 0.08 0.00 0.03 0.00 0.00 46.19 44.86 1k9a s LEU 138 CO -0.06 0.24 0.70 -0.55 0.23 0.00 0.00 176.35 176.91 1k9a s SER 139 N -0.15 -0.52 -0.01 2.29 0.15 -0.78 0.49 113.70 115.18 1k9a s SER 139 Ca -0.03 0.09 -0.01 0.00 0.70 0.00 0.00 55.95 56.69 1k9a s SER 139 Cb -0.14 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.69 1k9a s SER 139 CO 0.04 -0.82 -0.03 -0.38 1.20 0.00 0.00 173.24 173.25 1k9a n ILE 140 N -0.18 0.26 0.31 6.45 5.41 -1.26 -0.57 119.36 129.77 1k9a n ILE 140 Ca -0.15 0.03 0.09 0.00 1.00 0.00 0.00 62.75 63.72 1k9a n ILE 140 Cb 0.63 -1.54 0.25 0.00 -0.71 0.00 0.00 39.64 38.27 1k9a n ILE 140 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1k9a n ASP 141 N -3.15 2.91 -1.03 4.38 5.75 -1.26 -4.91 116.55 119.24 1k9a n ASP 141 Ca -0.03 -1.98 -0.11 0.00 -0.01 0.00 0.00 54.79 52.65 1k9a n ASP 141 Cb 0.46 -0.35 -0.05 0.00 -1.03 0.00 0.00 41.12 40.16 1k9a n ASP 141 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1k9a n GLU 142 N 1.09 -1.55 -0.04 0.11 1.02 -1.26 -4.70 120.64 115.32 1k9a n GLU 142 Ca 0.18 0.79 -0.08 0.00 -0.02 0.00 0.00 57.16 58.03 1k9a n GLU 142 Cb 0.47 -5.01 -0.03 0.00 -0.02 0.00 0.00 31.44 26.85 1k9a n GLU 142 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1k9a n GLU 143 N -1.22 0.18 -4.58 3.49 1.02 -1.26 -4.99 120.64 113.28 1k9a n GLU 143 Ca -0.11 0.07 -0.33 0.00 -0.02 0.00 0.00 57.16 56.76 1k9a n GLU 143 Cb 0.49 -0.90 -0.13 0.00 -0.02 0.00 0.00 31.44 30.88 1k9a n GLU 143 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1k9a s VAL 144 N -2.15 3.57 0.37 2.62 1.01 -1.26 -5.12 120.40 119.44 1k9a s VAL 144 Ca -0.11 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.46 1k9a s VAL 144 Cb 0.04 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1k9a s VAL 144 CO 0.15 0.53 0.09 -0.31 0.00 0.00 0.00 175.10 175.56 1k9a s TYR 145 N 0.06 2.59 0.06 5.22 1.51 -1.26 -4.34 117.35 121.19 1k9a s TYR 145 Ca -0.02 -0.51 -0.13 0.00 -1.01 0.00 0.00 57.07 55.40 1k9a s TYR 145 Cb -0.14 -1.71 0.02 0.00 -0.11 0.00 0.00 41.96 40.02 1k9a s TYR 145 CO 0.03 0.35 0.30 -0.06 -1.11 0.00 0.00 175.55 175.06 1k9a s PHE 146 N -2.56 -0.08 -0.23 2.71 0.40 0.18 -4.94 117.98 113.47 1k9a s PHE 146 Ca 0.37 -0.12 0.22 0.00 -0.60 0.00 0.00 56.93 56.81 1k9a s PHE 146 Cb 0.02 0.09 -0.00 0.00 0.51 0.00 0.00 43.02 43.64 1k9a s PHE 146 CO 0.21 -0.53 1.05 0.93 0.70 0.00 0.00 175.22 177.58 1k9a h GLU 147 N 3.08 0.00 -3.14 0.44 5.08 -1.87 0.50 114.58 118.68 1k9a h GLU 147 Ca -0.32 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1k9a h GLU 147 Cb 1.20 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.35 1k9a h GLU 147 CO 0.47 0.04 0.12 0.54 -1.00 0.00 0.00 179.01 179.18 1k9a s ASN 148 N -5.46 -0.41 0.32 1.42 2.20 -1.26 -4.84 114.94 106.91 1k9a s ASN 148 Ca -0.00 -0.23 0.01 0.00 -0.94 0.00 0.00 52.86 51.69 1k9a s ASN 148 Cb 0.09 0.59 0.54 0.00 -2.00 0.00 0.00 41.25 40.47 1k9a s ASN 148 CO 0.79 -1.01 1.95 -0.07 -2.94 0.00 0.00 177.10 175.82 1k9a h LEU 149 N 2.11 0.87 -0.12 3.54 3.38 -1.99 -2.25 115.31 120.85 1k9a h LEU 149 Ca -0.31 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.68 1k9a h LEU 149 Cb 1.28 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1k9a h LEU 149 CO 0.38 0.59 -0.07 0.24 0.09 0.00 0.00 178.44 179.67 1k9a h MET 150 N 1.00 -0.07 -0.45 1.13 2.86 -1.92 0.29 114.93 117.77 1k9a h MET 150 Ca 0.33 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.99 1k9a h MET 150 Cb 0.05 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1k9a h MET 150 CO -0.10 -0.05 0.26 0.37 1.06 0.00 0.00 176.91 178.45 1k9a h GLN 151 N -0.07 0.51 0.57 1.72 4.15 -1.65 0.18 115.11 120.51 1k9a h GLN 151 Ca 0.07 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 1k9a h GLN 151 Cb 0.18 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1k9a h GLN 151 CO -0.16 0.34 -0.44 1.25 -1.93 0.00 0.00 178.83 177.88 1k9a h LEU 152 N 0.52 -1.17 -0.68 -2.39 6.46 -0.86 0.02 115.31 117.21 1k9a h LEU 152 Ca 0.18 0.08 0.11 0.00 -0.12 0.00 0.00 57.88 58.13 1k9a h LEU 152 Cb 0.02 0.37 -0.08 0.00 -0.73 0.00 0.00 40.66 40.24 1k9a h LEU 152 CO -0.09 -0.64 0.28 0.58 -0.62 0.00 0.00 178.44 177.95 1k9a h VAL 153 N -0.99 0.75 -0.56 1.05 2.07 -0.22 -0.97 116.25 117.38 1k9a h VAL 153 Ca -0.07 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1k9a h VAL 153 Cb 0.83 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1k9a h VAL 153 CO 0.01 0.08 0.37 -0.08 0.02 0.00 0.00 177.57 177.97 1k9a h GLU 154 N 0.47 0.73 -0.33 1.57 4.81 -0.30 -2.07 114.58 119.45 1k9a h GLU 154 Ca 0.35 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1k9a h GLU 154 Cb 0.46 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1k9a h GLU 154 CO -0.33 0.48 0.21 1.25 -0.73 0.00 0.00 179.01 179.89 1k9a h HIS 155 N 0.75 0.43 0.00 0.92 2.76 0.24 -1.21 115.15 119.04 1k9a h HIS 155 Ca 0.21 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1k9a h HIS 155 Cb -0.08 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 28.74 1k9a h HIS 155 CO -0.04 0.30 0.00 0.66 -1.30 0.00 0.00 177.93 177.55 1k9a n TYR 156 N -4.83 0.00 -0.12 5.26 0.53 -0.51 -1.89 117.16 115.61 1k9a n TYR 156 Ca -0.01 0.00 -0.17 0.00 -1.02 0.00 0.00 57.90 56.70 1k9a n TYR 156 Cb 0.04 0.00 -0.11 0.00 -1.03 0.00 0.00 39.34 38.25 1k9a n TYR 156 CO 0.00 0.00 0.00 2.41 -1.02 0.00 0.00 176.86 178.25 1k9a n THR 157 N -0.64 1.34 0.11 -0.72 -1.04 -0.73 -0.44 114.28 112.15 1k9a n THR 157 Ca 0.07 -0.50 -0.17 0.00 -2.04 0.00 0.00 64.05 61.41 1k9a n THR 157 Cb 0.03 -1.37 -0.14 0.00 -1.82 0.00 0.00 70.33 67.03 1k9a n THR 157 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1k9a h THR 158 N -0.08 1.46 0.00 12.58 2.02 -1.08 -3.41 112.91 124.40 1k9a h THR 158 Ca -0.53 -2.98 0.00 0.00 0.77 0.00 0.00 66.41 63.67 1k9a h THR 158 Cb 1.79 2.95 0.00 0.00 -1.74 0.00 0.00 68.15 71.14 1k9a h THR 158 CO -0.11 0.87 -0.50 -0.67 0.37 0.00 0.00 175.52 175.48 1k9a n ASP 159 N -3.58 0.27 -1.99 4.18 -0.08 -0.79 -5.12 116.55 109.45 1k9a n ASP 159 Ca -0.10 0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1k9a n ASP 159 Cb 1.03 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 44.44 1k9a n ASP 159 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k9a n ALA 160 N -3.09 -2.27 -2.00 -1.67 0.00 -1.23 -4.77 120.51 105.48 1k9a n ALA 160 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1k9a n ALA 160 Cb 0.25 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1k9a n ALA 160 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1k9a n ASP 161 N 1.36 0.00 0.00 0.00 8.00 -1.26 -4.72 116.55 119.93 1k9a n ASP 161 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.57 1k9a n ASP 161 Cb 0.00 0.00 0.41 0.00 -0.02 0.00 0.00 41.12 41.51 1k9a n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k9a n GLY 162 N 3.86 -0.50 3.75 0.44 0.00 -1.26 -4.71 105.19 106.76 1k9a n GLY 162 Ca 0.00 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1k9a n GLY 162 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k9a s LEU 163 N -2.12 4.59 0.28 0.99 1.43 -1.26 -4.96 118.68 117.63 1k9a s LEU 163 Ca 0.20 2.01 0.01 0.00 -1.03 0.00 0.00 54.13 55.31 1k9a s LEU 163 Cb 0.10 -3.61 0.54 0.00 0.03 0.00 0.00 46.19 43.25 1k9a s LEU 163 CO 0.17 0.02 1.83 0.00 0.23 0.00 0.00 176.35 178.60 1k9a s THR 165 N -5.96 -0.41 0.57 0.00 2.01 -1.26 -5.07 115.64 105.52 1k9a s THR 165 Ca -0.12 0.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.77 1k9a s THR 165 Cb 0.22 -0.83 -0.10 0.00 0.01 0.00 0.00 72.50 71.81 1k9a s THR 165 CO 0.80 0.03 0.35 -2.11 -0.69 0.00 0.00 174.62 173.00 1k9a n ARG 166 N 4.85 0.36 -1.79 4.92 1.85 -1.26 -4.80 116.66 120.79 1k9a n ARG 166 Ca -0.16 0.14 -0.42 0.00 -1.00 0.00 0.00 57.85 56.41 1k9a n ARG 166 Cb 0.53 -1.53 -0.03 0.00 -1.05 0.00 0.00 32.46 30.38 1k9a n ARG 166 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1k9a s LEU 167 N 1.79 4.27 0.00 2.89 1.43 0.42 -4.77 118.68 124.71 1k9a s LEU 167 Ca 0.65 2.40 0.00 0.00 -1.03 0.00 0.00 54.13 56.15 1k9a s LEU 167 Cb -0.45 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.25 1k9a s LEU 167 CO 0.58 -1.12 0.00 -0.38 0.23 0.00 0.00 176.35 175.66 1k9a n ILE 168 N 5.79 0.00 -4.94 -0.59 2.08 -0.68 -4.59 119.36 116.43 1k9a n ILE 168 Ca 0.20 0.49 -0.33 0.00 0.56 0.00 0.00 62.75 63.67 1k9a n ILE 168 Cb 0.42 -1.49 -0.15 0.00 -0.75 0.00 0.00 39.64 37.68 1k9a n ILE 168 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1k9a s LYS 169 N -1.00 3.09 0.28 0.38 2.20 -1.16 -4.98 119.74 118.56 1k9a s LYS 169 Ca 0.00 -0.75 -0.28 0.00 -0.36 0.00 0.00 55.97 54.58 1k9a s LYS 169 Cb 0.00 -2.47 -0.09 0.00 -1.51 0.00 0.00 37.83 33.75 1k9a s LYS 169 CO 0.00 0.29 0.96 -2.14 -0.36 0.00 0.00 175.35 174.10 1k9a s PRO 170 N 0.12 4.70 -1.18 4.03 0.02 -1.26 -1.37 135.00 140.07 1k9a s PRO 170 Ca -0.08 1.45 -0.13 0.00 0.02 0.00 0.00 61.00 62.26 1k9a s PRO 170 Cb -0.15 -3.05 0.20 0.00 0.02 0.00 0.00 34.50 31.51 1k9a s PRO 170 CO 0.05 0.37 1.34 0.21 -0.33 0.00 0.00 177.00 178.65 1k9a s LYS 171 N -1.60 4.10 0.61 5.54 2.47 -0.38 -4.84 119.74 125.63 1k9a s LYS 171 Ca 0.46 -2.71 -0.18 0.00 -1.56 0.00 0.00 55.97 51.98 1k9a s LYS 171 Cb -0.23 -4.94 -0.10 0.00 -1.46 0.00 0.00 37.83 31.10 1k9a s LYS 171 CO 0.29 -1.64 0.22 0.28 0.16 0.00 0.00 175.35 174.66 1k9a n VAL 172 N 4.18 1.26 -2.80 4.02 0.31 -1.26 -4.45 118.33 119.59 1k9a n VAL 172 Ca 0.33 -0.48 -0.21 0.00 -0.01 0.00 0.00 64.34 63.97 1k9a n VAL 172 Cb 0.42 -0.42 0.03 0.00 -0.91 0.00 0.00 33.84 32.95 1k9a n VAL 172 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1k9a s MET 173 N -1.87 2.75 0.21 5.55 1.75 -0.98 -4.93 119.30 121.78 1k9a s MET 173 Ca 0.62 -0.72 -0.32 0.00 -1.25 0.00 0.00 55.69 54.02 1k9a s MET 173 Cb -0.42 -2.54 -0.14 0.00 2.84 0.00 0.00 34.83 34.57 1k9a s MET 173 CO 0.61 -0.52 1.47 0.39 -0.65 0.00 0.00 175.02 176.33 1k9a n GLU 174 N -2.20 2.08 -3.60 4.11 -0.58 -1.26 -2.44 120.64 116.75 1k9a n GLU 174 Ca 0.06 0.75 -0.20 0.00 -0.42 0.00 0.00 57.16 57.34 1k9a n GLU 174 Cb 0.59 -2.45 0.06 0.00 -0.57 0.00 0.00 31.44 29.07 1k9a n GLU 174 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k9a n GLY 175 N 2.62 -0.32 3.06 0.62 0.00 -1.26 -5.00 105.19 104.91 1k9a n GLY 175 Ca 0.14 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 1k9a n GLY 175 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k9a s THR 176 N -3.54 0.05 -0.01 2.61 2.01 -1.02 -4.77 115.64 110.96 1k9a s THR 176 Ca 0.02 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.62 1k9a s THR 176 Cb -0.01 -0.32 0.01 0.00 0.01 0.00 0.00 72.50 72.19 1k9a s THR 176 CO 0.78 -0.22 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.76 1k9a s VAL 177 N -0.75 0.33 -0.59 3.82 1.01 0.30 -4.72 120.40 119.79 1k9a s VAL 177 Ca -0.08 -0.12 -0.26 0.00 0.00 0.00 0.00 61.98 61.52 1k9a s VAL 177 Cb -0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1k9a s VAL 177 CO 0.01 0.13 2.05 0.00 0.00 0.00 0.00 175.10 177.28 1k9a s ALA 178 N 0.29 1.94 0.10 5.51 0.00 -1.26 -0.14 121.76 128.19 1k9a s ALA 178 Ca -0.03 -0.50 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 1k9a s ALA 178 Cb -0.06 -4.34 -0.11 0.00 0.00 0.00 0.00 23.12 18.61 1k9a s ALA 178 CO -0.00 -4.18 1.47 0.00 0.00 0.00 0.00 175.76 173.05 1k9a h ALA 179 N 16.15 -0.84 -0.50 0.00 0.00 -1.72 0.38 119.26 132.73 1k9a h ALA 179 Ca -0.23 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.69 1k9a h ALA 179 Cb 1.18 0.94 -0.03 0.00 0.00 0.00 0.00 17.79 19.88 1k9a h ALA 179 CO 1.20 -1.00 0.34 1.96 0.00 0.00 0.00 179.25 181.74 1k9a h GLN 180 N -0.51 0.42 0.16 0.00 7.50 -1.90 -2.16 115.11 118.61 1k9a h GLN 180 Ca 0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 1k9a h GLN 180 Cb 0.59 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 28.02 1k9a h GLN 180 CO -0.36 0.28 -0.08 0.22 -1.50 0.00 0.00 178.83 177.39 1k9a h ASP 181 N 0.43 -0.18 0.26 1.46 1.82 -1.78 -2.41 116.42 116.03 1k9a h ASP 181 Ca 0.22 -0.32 0.01 0.00 -0.39 0.00 0.00 57.03 56.55 1k9a h ASP 181 Cb 0.32 0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.35 1k9a h ASP 181 CO -0.06 0.26 -0.36 -0.33 -1.61 0.00 0.00 179.24 177.14 1k9a h GLU 182 N -0.66 -0.66 -0.43 0.28 4.39 -0.52 0.27 114.58 117.26 1k9a h GLU 182 Ca -0.02 0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.77 1k9a h GLU 182 Cb 0.48 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.24 1k9a h GLU 182 CO 0.04 -0.44 0.16 0.74 -1.16 0.00 0.00 179.01 178.35 1k9a h PHE 183 N -0.68 0.29 -0.75 4.33 -1.00 -1.52 0.21 116.94 117.82 1k9a h PHE 183 Ca -0.00 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.79 1k9a h PHE 183 Cb 0.65 -0.07 -0.04 0.00 3.61 0.00 0.00 35.95 40.10 1k9a h PHE 183 CO -0.25 0.12 0.46 1.88 -1.61 0.00 0.00 178.31 178.91 1k9a h TYR 184 N 0.34 0.99 0.00 -0.55 -1.99 -1.14 -0.70 116.97 113.92 1k9a h TYR 184 Ca 0.20 -0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.84 1k9a h TYR 184 Cb 0.17 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.56 1k9a h TYR 184 CO -0.14 0.66 -0.38 0.00 -0.00 0.00 0.00 178.16 178.30 1k9a h ARG 185 N 1.03 0.00 -0.51 4.88 3.08 0.14 -2.82 114.38 120.18 1k9a h ARG 185 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1k9a h ARG 185 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1k9a h ARG 185 CO -0.05 0.38 0.00 0.43 -1.07 0.00 0.00 179.97 179.66 1k9a n SER 186 N -3.65 2.59 -0.98 7.04 7.64 0.69 -4.92 113.62 122.02 1k9a n SER 186 Ca -0.01 -2.14 -0.07 0.00 1.01 0.00 0.00 58.87 57.66 1k9a n SER 186 Cb 0.48 -0.36 0.01 0.00 -1.01 0.00 0.00 64.21 63.32 1k9a n SER 186 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k9a n GLY 187 N 0.94 0.20 0.58 0.23 0.00 -0.89 -1.41 105.19 104.84 1k9a n GLY 187 Ca 0.14 -0.54 0.05 0.00 0.00 0.00 0.00 46.02 45.68 1k9a n GLY 187 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k9a n TRP 188 N -3.81 0.38 -2.50 1.61 7.02 -0.34 -4.74 117.44 115.06 1k9a n TRP 188 Ca -0.06 -0.44 -0.41 0.00 -1.02 0.00 0.00 57.50 55.58 1k9a n TRP 188 Cb 0.55 -0.02 -0.04 0.00 -2.42 0.00 0.00 31.31 29.37 1k9a n TRP 188 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1k9a s ALA 189 N -0.98 3.38 0.24 6.99 0.00 -1.26 -0.12 121.76 130.01 1k9a s ALA 189 Ca 0.21 0.83 0.07 0.00 0.00 0.00 0.00 51.96 53.07 1k9a s ALA 189 Cb 0.11 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1k9a s ALA 189 CO 0.15 -0.21 0.16 -0.51 0.00 0.00 0.00 175.76 175.34 1k9a s LEU 190 N -0.48 3.74 -0.49 0.00 1.43 0.92 -4.82 118.68 118.98 1k9a s LEU 190 Ca 0.49 -0.27 -0.27 0.00 -1.03 0.00 0.00 54.13 53.05 1k9a s LEU 190 Cb -0.30 -2.29 0.03 0.00 0.03 0.00 0.00 46.19 43.67 1k9a s LEU 190 CO 0.36 -0.01 1.05 0.21 0.23 0.00 0.00 176.35 178.18 1k9a s ASN 191 N -3.67 6.54 0.26 2.29 3.84 -1.26 -4.74 114.94 118.21 1k9a s ASN 191 Ca 0.32 0.24 -0.02 0.00 0.21 0.00 0.00 52.86 53.61 1k9a s ASN 191 Cb -0.08 -2.50 0.48 0.00 -0.55 0.00 0.00 41.25 38.60 1k9a s ASN 191 CO 0.24 -1.19 1.78 -0.03 -2.79 0.00 0.00 177.10 175.11 1k9a h MET 192 N 9.21 0.67 -1.14 0.43 1.85 -1.95 -0.14 114.93 123.85 1k9a h MET 192 Ca -0.24 -0.04 0.32 0.00 -0.61 0.00 0.00 59.70 59.14 1k9a h MET 192 Cb 1.07 -0.15 -0.06 0.00 0.43 0.00 0.00 31.60 32.89 1k9a h MET 192 CO 1.09 0.44 0.80 0.87 -0.40 0.00 0.00 176.91 179.72 1k9a h LYS 193 N 0.69 0.08 -0.65 0.39 1.57 -2.03 -0.48 116.57 116.13 1k9a h LYS 193 Ca 0.44 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1k9a h LYS 193 Cb 0.55 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1k9a h LYS 193 CO -0.32 0.05 0.00 0.39 -0.57 0.00 0.00 179.45 179.00 1k9a n GLU 194 N -4.28 2.54 -4.21 3.15 1.02 -0.07 -4.89 120.64 113.89 1k9a n GLU 194 Ca 0.25 -2.38 -0.35 0.00 -0.02 0.00 0.00 57.16 54.66 1k9a n GLU 194 Cb 1.16 -1.52 -0.10 0.00 -0.02 0.00 0.00 31.44 30.96 1k9a n GLU 194 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1k9a s LEU 195 N -1.02 3.64 -0.15 -4.62 0.20 -0.19 -3.50 118.68 113.04 1k9a s LEU 195 Ca 0.44 0.07 0.00 0.00 0.69 0.00 0.00 54.13 55.34 1k9a s LEU 195 Cb 0.23 -1.88 0.03 0.00 -0.43 0.00 0.00 46.19 44.14 1k9a s LEU 195 CO 0.30 0.25 -0.12 -0.75 -0.29 0.00 0.00 176.35 175.75 1k9a s LYS 196 N -0.11 2.04 -0.32 1.98 2.20 0.41 -4.96 119.74 120.99 1k9a s LYS 196 Ca 0.05 -0.51 -0.25 0.00 -0.36 0.00 0.00 55.97 54.91 1k9a s LYS 196 Cb -0.12 -2.00 0.01 0.00 -1.51 0.00 0.00 37.83 34.20 1k9a s LYS 196 CO 0.02 -0.27 0.85 -0.51 -0.36 0.00 0.00 175.35 175.08 1k9a s LEU 197 N 1.54 4.06 0.00 5.43 1.43 -1.26 -0.43 118.68 129.45 1k9a s LEU 197 Ca 0.04 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 1k9a s LEU 197 Cb -0.13 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1k9a s LEU 197 CO -0.10 -0.70 0.00 0.18 0.23 0.00 0.00 176.35 175.96 1k9a n LEU 198 N 6.41 0.00 0.00 1.79 4.77 -0.40 -5.00 117.00 124.57 1k9a n LEU 198 Ca 0.05 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1k9a n LEU 198 Cb 0.48 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.64 1k9a n LEU 198 CO 0.53 0.00 0.23 0.00 -1.33 0.00 0.00 177.39 176.83 1k9a n GLN 199 N 0.00 -0.84 -3.75 3.23 10.64 -1.25 -4.82 117.38 120.59 1k9a n GLN 199 Ca 0.00 -0.58 -0.37 0.00 -1.83 0.00 0.00 57.00 54.22 1k9a n GLN 199 Cb 0.00 -0.44 -0.12 0.00 -0.86 0.00 0.00 30.24 28.82 1k9a n GLN 199 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1k9a s THR 200 N -1.77 4.26 -0.25 -0.39 2.01 -1.26 -2.13 115.64 116.10 1k9a s THR 200 Ca 0.22 -0.29 -0.29 0.00 0.31 0.00 0.00 61.69 61.64 1k9a s THR 200 Cb -0.01 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.46 1k9a s THR 200 CO 0.16 0.27 1.22 -0.63 -0.69 0.00 0.00 174.62 174.95 1k9a s ILE 201 N 1.59 4.31 -1.86 1.82 1.01 -0.81 -4.83 121.20 122.44 1k9a s ILE 201 Ca 0.06 1.54 0.00 0.00 0.00 0.00 0.00 60.65 62.24 1k9a s ILE 201 Cb -0.16 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1k9a s ILE 201 CO 0.03 -0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.25 1k9a n GLY 202 N 3.90 0.62 0.00 6.18 0.00 -1.26 -4.66 105.19 109.98 1k9a n GLY 202 Ca 0.14 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1k9a n GLY 202 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k9a n LYS 203 N 0.00 0.00 0.00 1.61 4.01 -1.26 -4.97 118.16 117.55 1k9a n LYS 203 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1k9a n LYS 203 Cb 0.00 -0.48 0.00 0.00 -0.51 0.00 0.00 35.03 34.04 1k9a n LYS 203 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1k9a n GLY 204 N 2.43 -2.11 0.00 0.72 0.00 -1.26 -5.02 105.19 99.95 1k9a n GLY 204 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1k9a n GLY 204 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k9a n GLU 205 N 0.00 1.20 -1.24 1.61 -0.58 -1.26 -4.88 120.64 115.49 1k9a n GLU 205 Ca 0.00 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.51 1k9a n GLU 205 Cb 0.00 -0.10 0.14 0.00 -0.57 0.00 0.00 31.44 30.91 1k9a n GLU 205 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1k9a n PHE 206 N 0.00 2.61 -1.86 -0.32 3.01 -1.26 -5.01 117.46 114.64 1k9a n PHE 206 Ca 0.00 -2.19 -0.30 0.00 1.01 0.00 0.00 57.45 55.97 1k9a n PHE 206 Cb 0.00 -0.93 0.04 0.00 -0.01 0.00 0.00 39.48 38.58 1k9a n PHE 206 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1k9a s GLY 207 N -2.00 1.64 0.00 1.37 0.00 -1.26 -4.98 107.32 102.09 1k9a s GLY 207 Ca 0.56 -0.24 0.20 0.00 0.00 0.00 0.00 44.72 45.24 1k9a s GLY 207 CO 0.04 0.10 1.49 2.09 0.00 0.00 0.00 173.10 176.82 1k9a n ASP 208 N -2.94 2.02 -4.19 1.64 5.68 -1.26 -4.83 116.55 112.66 1k9a n ASP 208 Ca 0.07 -1.79 -0.33 0.00 -0.50 0.00 0.00 54.79 52.24 1k9a n ASP 208 Cb 0.56 -0.14 -0.16 0.00 -1.14 0.00 0.00 41.12 40.23 1k9a n ASP 208 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1k9a s VAL 209 N -1.71 2.18 0.12 2.12 1.01 -1.26 -1.19 120.40 121.67 1k9a s VAL 209 Ca 0.33 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1k9a s VAL 209 Cb 0.18 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1k9a s VAL 209 CO 0.26 0.54 -0.13 -0.04 0.00 0.00 0.00 175.10 175.74 1k9a s MET 210 N 0.76 1.01 0.01 2.72 -1.94 0.24 -1.93 119.30 120.16 1k9a s MET 210 Ca -0.08 -1.25 -0.17 0.00 -1.71 0.00 0.00 55.69 52.48 1k9a s MET 210 Cb -0.16 -0.84 -0.06 0.00 2.01 0.00 0.00 34.83 35.79 1k9a s MET 210 CO -0.00 0.15 0.47 -1.17 -0.01 0.00 0.00 175.02 174.46 1k9a s LEU 211 N -2.52 4.46 0.00 -0.03 2.96 -0.91 -0.02 118.68 122.63 1k9a s LEU 211 Ca 0.09 1.05 0.04 0.00 -0.22 0.00 0.00 54.13 55.09 1k9a s LEU 211 Cb -0.04 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 43.92 1k9a s LEU 211 CO 0.03 0.26 0.25 0.61 -1.32 0.00 0.00 176.35 176.17 1k9a n GLY 212 N 2.00 3.01 3.15 7.98 0.00 0.12 -1.27 105.19 120.18 1k9a n GLY 212 Ca -0.12 -1.78 -0.26 0.00 0.00 0.00 0.00 46.02 43.86 1k9a n GLY 212 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k9a s ASP 213 N -2.75 2.21 -0.04 1.61 -1.08 0.43 -1.46 116.67 115.60 1k9a s ASP 213 Ca 0.29 -0.36 -0.02 0.00 -0.52 0.00 0.00 52.55 51.94 1k9a s ASP 213 Cb 0.01 -0.59 0.03 0.00 -1.46 0.00 0.00 42.92 40.91 1k9a s ASP 213 CO 0.20 0.16 0.05 -0.47 0.52 0.00 0.00 175.17 175.64 1k9a s TYR 214 N -0.01 0.05 -1.58 -5.34 5.04 -0.26 -0.44 117.35 114.81 1k9a s TYR 214 Ca -0.03 0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.83 1k9a s TYR 214 Cb -0.11 -0.43 0.00 0.00 0.35 0.00 0.00 41.96 41.76 1k9a s TYR 214 CO 0.02 -0.17 0.00 0.54 -1.34 0.00 0.00 175.55 174.60 1k9a n ARG 215 N 5.08 -1.73 -0.69 4.97 5.12 -1.23 -1.64 116.66 126.55 1k9a n ARG 215 Ca -0.08 0.89 0.00 0.00 -1.93 0.00 0.00 57.85 56.73 1k9a n ARG 215 Cb 0.50 -5.41 0.00 0.00 -1.16 0.00 0.00 32.46 26.39 1k9a n ARG 215 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k9a n GLY 216 N -0.70 0.63 3.20 -0.13 0.00 -1.26 -5.07 105.19 101.86 1k9a n GLY 216 Ca -0.19 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 1k9a n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k9a s ASN 217 N -2.24 1.69 0.33 1.61 4.22 -0.65 -5.11 114.94 114.79 1k9a s ASN 217 Ca 0.00 -0.76 -0.28 0.00 -2.14 0.00 0.00 52.86 49.68 1k9a s ASN 217 Cb 0.00 -0.03 -0.10 0.00 1.28 0.00 0.00 41.25 42.40 1k9a s ASN 217 CO 0.00 -0.17 1.22 -0.54 -2.04 0.00 0.00 177.10 175.56 1k9a s LYS 218 N -2.48 4.37 0.07 3.55 1.02 -1.26 -1.11 119.74 123.90 1k9a s LYS 218 Ca 0.05 2.02 -0.12 0.00 0.02 0.00 0.00 55.97 57.93 1k9a s LYS 218 Cb -0.05 -3.02 0.01 0.00 -0.52 0.00 0.00 37.83 34.25 1k9a s LYS 218 CO 0.02 -0.10 0.27 0.14 -0.92 0.00 0.00 175.35 174.75 1k9a s VAL 219 N -1.21 0.10 -0.11 3.17 -7.23 -0.54 -3.73 120.40 110.86 1k9a s VAL 219 Ca 0.49 -0.84 -0.06 0.00 -1.81 0.00 0.00 61.98 59.76 1k9a s VAL 219 Cb -0.36 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 1k9a s VAL 219 CO 0.46 -0.46 0.11 0.00 -0.31 0.00 0.00 175.10 174.90 1k9a s ALA 220 N -3.10 3.75 -0.10 1.32 0.00 -0.38 0.15 121.76 123.40 1k9a s ALA 220 Ca -0.01 -0.68 -0.00 0.00 0.00 0.00 0.00 51.96 51.27 1k9a s ALA 220 Cb 0.01 -1.87 0.02 0.00 0.00 0.00 0.00 23.12 21.29 1k9a s ALA 220 CO -0.07 0.61 -0.07 0.08 0.00 0.00 0.00 175.76 176.31 1k9a s VAL 221 N -0.98 0.96 -0.15 0.00 1.01 0.97 -1.96 120.40 120.24 1k9a s VAL 221 Ca 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1k9a s VAL 221 Cb -0.12 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1k9a s VAL 221 CO 0.04 0.35 -0.10 -0.75 0.00 0.00 0.00 175.10 174.64 1k9a s LYS 222 N 1.62 3.45 -0.04 2.72 2.20 -0.75 -0.59 119.74 128.34 1k9a s LYS 222 Ca 0.03 -0.64 -0.16 0.00 -0.36 0.00 0.00 55.97 54.84 1k9a s LYS 222 Cb -0.13 -2.75 -0.05 0.00 -1.51 0.00 0.00 37.83 33.39 1k9a s LYS 222 CO -0.07 0.16 0.44 0.00 -0.36 0.00 0.00 175.35 175.52 1k9a s ILE 224 N -0.42 1.69 0.38 0.00 1.01 -0.01 -4.91 121.20 118.94 1k9a s ILE 224 Ca 0.24 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1k9a s ILE 224 Cb -0.16 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 1k9a s ILE 224 CO 0.12 0.48 0.05 1.17 0.00 0.00 0.00 174.94 176.76 1k9a n LYS 225 N 4.02 0.83 0.00 2.79 4.81 -1.26 -2.04 118.16 127.31 1k9a n LYS 225 Ca -0.20 -2.97 0.00 0.00 -0.87 0.00 0.00 58.31 54.27 1k9a n LYS 225 Cb 0.52 1.15 0.01 0.00 0.02 0.00 0.00 35.03 36.73 1k9a n LYS 225 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1k9a n ASN 226 N -1.41 0.00 -4.70 3.14 4.05 -1.26 -4.49 115.26 110.59 1k9a n ASN 226 Ca -0.12 -0.15 -0.56 0.00 0.45 0.00 0.00 54.58 54.20 1k9a n ASN 226 Cb 0.52 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.46 1k9a n ASN 226 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1k9a n ASP 227 N -0.59 2.43 0.00 1.20 8.00 -1.26 -4.75 116.55 121.59 1k9a n ASP 227 Ca 0.00 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.57 1k9a n ASP 227 Cb 0.00 -1.17 0.00 0.00 -0.02 0.00 0.00 41.12 39.94 1k9a n ASP 227 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k9a n ALA 228 N 5.28 0.00 -0.06 2.24 0.00 -1.26 0.12 120.51 126.84 1k9a n ALA 228 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.60 1k9a n ALA 228 Cb 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 1k9a n ALA 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k9a h THR 229 N 0.00 1.08 0.00 0.00 1.03 -1.92 -3.36 112.91 109.74 1k9a h THR 229 Ca 0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 66.41 66.22 1k9a h THR 229 Cb 0.00 0.79 0.00 0.00 -1.07 0.00 0.00 68.15 67.87 1k9a h THR 229 CO 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 175.52 175.59 1k9a n ALA 230 N -2.17 0.00 -0.33 0.00 0.00 0.33 0.08 120.51 118.42 1k9a n ALA 230 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1k9a n ALA 230 Cb 0.04 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.83 1k9a n ALA 230 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1k9a h GLN 231 N 0.00 0.74 -0.56 0.00 4.15 -1.80 -0.72 115.11 116.91 1k9a h GLN 231 Ca 0.00 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.31 1k9a h GLN 231 Cb 0.00 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 1k9a h GLN 231 CO 0.00 0.49 0.11 0.00 -1.93 0.00 0.00 178.83 177.49 1k9a h ALA 232 N 1.61 0.75 0.00 3.38 0.00 -0.66 -0.46 119.26 123.88 1k9a h ALA 232 Ca 0.53 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1k9a h ALA 232 Cb 0.83 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1k9a h ALA 232 CO -0.31 0.48 -0.44 0.74 0.00 0.00 0.00 179.25 179.72 1k9a h PHE 233 N 0.82 0.00 -0.16 0.00 -1.00 -1.44 0.95 116.94 116.12 1k9a h PHE 233 Ca 0.17 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.86 1k9a h PHE 233 Cb 0.39 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.95 1k9a h PHE 233 CO 0.03 0.44 -0.27 -0.07 -1.61 0.00 0.00 178.31 176.83 1k9a h LEU 234 N 0.00 0.51 -0.51 1.54 3.38 -0.88 -1.23 115.31 118.12 1k9a h LEU 234 Ca -0.00 -0.54 0.02 0.00 0.09 0.00 0.00 57.88 57.45 1k9a h LEU 234 Cb 1.01 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1k9a h LEU 234 CO 0.06 0.95 0.31 0.00 0.09 0.00 0.00 178.44 179.85 1k9a h ALA 235 N 0.58 0.65 -0.56 1.53 0.00 -0.81 -0.80 119.26 119.85 1k9a h ALA 235 Ca 0.01 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1k9a h ALA 235 Cb 0.85 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1k9a h ALA 235 CO 0.06 0.02 0.28 1.49 0.00 0.00 0.00 179.25 181.10 1k9a h GLU 236 N 0.62 0.50 -0.87 0.00 4.81 -0.67 -0.83 114.58 118.16 1k9a h GLU 236 Ca 0.20 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1k9a h GLU 236 Cb 0.00 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 1k9a h GLU 236 CO -0.08 0.33 0.45 0.00 -0.73 0.00 0.00 179.01 178.99 1k9a h ALA 237 N 1.32 1.17 -0.16 2.92 0.00 -0.67 -1.37 119.26 122.46 1k9a h ALA 237 Ca 0.26 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1k9a h ALA 237 Cb 0.20 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1k9a h ALA 237 CO -0.19 0.65 -0.06 1.03 0.00 0.00 0.00 179.25 180.68 1k9a h SER 238 N 1.22 -0.22 -0.76 0.00 0.87 0.20 -1.67 113.55 113.20 1k9a h SER 238 Ca 0.30 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.90 1k9a h SER 238 Cb 0.06 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 1k9a h SER 238 CO -0.05 -0.08 0.40 0.58 -0.53 0.00 0.00 176.83 177.15 1k9a h VAL 239 N -0.04 1.23 0.00 2.23 2.07 -0.96 -2.33 116.25 118.45 1k9a h VAL 239 Ca 0.09 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1k9a h VAL 239 Cb 0.17 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1k9a h VAL 239 CO -0.19 0.26 -0.03 0.24 0.02 0.00 0.00 177.57 177.87 1k9a h MET 240 N 1.05 0.00 0.00 1.57 2.07 -0.47 0.13 114.93 119.27 1k9a h MET 240 Ca 0.26 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.89 1k9a h MET 240 Cb 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.79 1k9a h MET 240 CO -0.04 0.03 0.00 0.25 1.07 0.00 0.00 176.91 178.22 1k9a n THR 241 N -3.72 0.35 -0.08 2.22 -2.24 -0.70 -2.58 114.28 107.53 1k9a n THR 241 Ca -0.03 0.09 0.01 0.00 -2.27 0.00 0.00 64.05 61.85 1k9a n THR 241 Cb 0.12 -0.77 0.02 0.00 -2.10 0.00 0.00 70.33 67.60 1k9a n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k9a n GLN 242 N -1.25 2.88 -5.20 -0.78 6.02 0.43 -4.15 117.38 115.33 1k9a n GLN 242 Ca 0.10 -1.59 -0.30 0.00 -0.01 0.00 0.00 57.00 55.20 1k9a n GLN 242 Cb 0.14 -1.04 -0.16 0.00 1.02 0.00 0.00 30.24 30.20 1k9a n GLN 242 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1k9a s LEU 243 N -1.13 2.04 -0.39 1.08 1.43 -1.06 -5.08 118.68 115.56 1k9a s LEU 243 Ca 0.03 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 1k9a s LEU 243 Cb 0.02 -1.25 0.16 0.00 0.03 0.00 0.00 46.19 45.15 1k9a s LEU 243 CO 0.01 0.29 0.40 -0.60 0.23 0.00 0.00 176.35 176.68 1k9a s ARG 244 N -0.50 0.72 -0.09 1.70 3.52 -1.26 -4.92 118.95 118.12 1k9a s ARG 244 Ca 0.08 -1.10 -0.07 0.00 -0.13 0.00 0.00 55.73 54.51 1k9a s ARG 244 Cb -0.10 -0.78 0.03 0.00 -1.56 0.00 0.00 34.95 32.54 1k9a s ARG 244 CO -0.00 -1.24 0.24 -1.58 -0.81 0.00 0.00 175.30 171.90 1k9a s HIS 245 N 1.14 -0.27 -0.08 5.12 2.46 -1.26 -5.04 115.29 117.36 1k9a s HIS 245 Ca 0.21 0.66 0.17 0.00 0.47 0.00 0.00 55.06 56.57 1k9a s HIS 245 Cb -0.11 0.08 0.94 0.00 -0.13 0.00 0.00 32.58 33.35 1k9a s HIS 245 CO -0.05 -0.15 1.47 -1.13 -2.47 0.00 0.00 174.74 172.41 1k9a n SER 246 N 3.29 0.45 -0.93 9.88 3.41 -1.26 -0.77 113.62 127.68 1k9a n SER 246 Ca -0.16 0.66 0.08 0.00 -0.26 0.00 0.00 58.87 59.19 1k9a n SER 246 Cb 0.57 -0.66 0.26 0.00 -0.26 0.00 0.00 64.21 64.12 1k9a n SER 246 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1k9a n ASN 247 N -2.15 3.94 -4.07 4.04 3.02 -1.26 -4.89 115.26 113.90 1k9a n ASN 247 Ca -0.01 -2.98 -0.28 0.00 -0.03 0.00 0.00 54.58 51.28 1k9a n ASN 247 Cb 0.18 -0.54 -0.17 0.00 -0.61 0.00 0.00 39.78 38.65 1k9a n ASN 247 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k9a s LEU 248 N -2.76 1.74 0.03 3.41 1.43 0.05 -1.46 118.68 121.12 1k9a s LEU 248 Ca 0.42 -0.41 -0.31 0.00 -1.03 0.00 0.00 54.13 52.80 1k9a s LEU 248 Cb 0.34 -1.06 -0.10 0.00 0.03 0.00 0.00 46.19 45.40 1k9a s LEU 248 CO 0.09 0.04 1.91 0.52 0.23 0.00 0.00 176.35 179.15 1k9a n VAL 249 N 4.02 0.62 -3.02 -1.59 0.31 -0.82 -4.64 118.33 113.20 1k9a n VAL 249 Ca -0.20 -0.11 -0.38 0.00 -0.01 0.00 0.00 64.34 63.64 1k9a n VAL 249 Cb 0.52 -2.15 -0.06 0.00 -0.91 0.00 0.00 33.84 31.24 1k9a n VAL 249 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1k9a s GLN 250 N 3.90 4.45 -0.19 5.55 0.74 -1.26 -4.92 119.66 127.92 1k9a s GLN 250 Ca 0.88 1.05 -0.16 0.00 0.05 0.00 0.00 55.36 57.19 1k9a s GLN 250 Cb -0.51 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 30.45 1k9a s GLN 250 CO 0.43 0.50 0.39 -1.17 -0.55 0.00 0.00 175.29 174.89 1k9a s LEU 251 N -1.46 4.18 -0.09 3.68 2.96 -1.26 -0.58 118.68 126.10 1k9a s LEU 251 Ca 0.39 0.54 0.04 0.00 -0.22 0.00 0.00 54.13 54.87 1k9a s LEU 251 Cb -0.21 -2.51 -0.24 0.00 0.50 0.00 0.00 46.19 43.73 1k9a s LEU 251 CO 0.24 -0.04 0.49 0.18 -1.32 0.00 0.00 176.35 175.90 1k9a n LEU 252 N 4.27 1.72 0.00 -0.68 4.32 0.15 -4.96 117.00 121.82 1k9a n LEU 252 Ca -0.09 0.30 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 1k9a n LEU 252 Cb 0.51 -0.45 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 1k9a n LEU 252 CO 0.40 0.62 0.00 0.61 -1.22 0.00 0.00 177.39 177.80 1k9a n GLY 253 N 1.78 -1.61 3.20 -0.72 0.00 -0.83 -4.94 105.19 102.08 1k9a n GLY 253 Ca -0.25 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.44 1k9a n GLY 253 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k9a s VAL 254 N -2.80 1.12 -0.03 1.61 1.01 0.84 -0.18 120.40 121.97 1k9a s VAL 254 Ca 0.00 -1.60 -0.01 0.00 0.00 0.00 0.00 61.98 60.37 1k9a s VAL 254 Cb 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 35.05 1k9a s VAL 254 CO 0.00 -0.44 0.06 -0.63 0.00 0.00 0.00 175.10 174.09 1k9a s ILE 255 N -2.10 -0.06 -0.13 2.22 1.01 -0.20 -0.06 121.20 121.89 1k9a s ILE 255 Ca 0.05 0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.62 1k9a s ILE 255 Cb -0.05 -0.12 -0.02 0.00 0.01 0.00 0.00 42.46 42.28 1k9a s ILE 255 CO 0.02 0.09 1.23 -0.69 0.00 0.00 0.00 174.94 175.58 1k9a s VAL 256 N 1.11 4.30 0.65 2.92 1.01 -1.26 0.48 120.40 129.61 1k9a s VAL 256 Ca -0.09 1.59 -0.11 0.00 0.00 0.00 0.00 61.98 63.37 1k9a s VAL 256 Cb -0.13 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1k9a s VAL 256 CO -0.04 -0.09 1.05 -0.70 0.00 0.00 0.00 175.10 175.32 1k9a s GLU 257 N 3.02 3.27 0.02 2.72 2.12 -0.53 -4.93 118.70 124.39 1k9a s GLU 257 Ca 0.55 0.60 -0.24 0.00 0.36 0.00 0.00 54.97 56.23 1k9a s GLU 257 Cb -0.22 -2.07 -0.17 0.00 0.26 0.00 0.00 34.13 31.93 1k9a s GLU 257 CO 0.17 -0.76 1.43 0.93 -0.54 0.00 0.00 175.26 176.48 1k9a h GLU 258 N -0.45 0.06 -0.67 4.30 3.07 -1.95 -2.80 114.58 116.14 1k9a h GLU 258 Ca -0.44 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1k9a h GLU 258 Cb 1.22 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1k9a h GLU 258 CO 0.63 0.37 0.00 1.63 -1.40 0.00 0.00 179.01 180.24 1k9a n LYS 259 N -4.89 0.48 -0.95 2.33 4.76 -1.26 -4.72 118.16 113.90 1k9a n LYS 259 Ca -0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 1k9a n LYS 259 Cb 0.19 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 1k9a n LYS 259 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1k9a n GLY 260 N 0.36 0.51 0.00 0.72 0.00 -1.05 -4.21 105.19 101.51 1k9a n GLY 260 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1k9a n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9a n GLY 261 N -1.97 -0.02 2.88 -0.02 0.00 -1.26 -4.72 105.19 100.08 1k9a n GLY 261 Ca 0.00 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 1k9a n GLY 261 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k9a s LEU 262 N 0.00 1.16 -0.22 0.99 2.96 -0.86 -1.45 118.68 121.26 1k9a s LEU 262 Ca 0.00 0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 53.95 1k9a s LEU 262 Cb 0.00 0.17 -0.05 0.00 0.50 0.00 0.00 46.19 46.81 1k9a s LEU 262 CO 0.00 -0.10 0.22 -0.31 -1.32 0.00 0.00 176.35 174.84 1k9a s TYR 263 N 0.78 3.34 -0.36 5.38 4.12 0.18 -0.83 117.35 129.97 1k9a s TYR 263 Ca -0.06 0.35 -0.11 0.00 0.02 0.00 0.00 57.07 57.26 1k9a s TYR 263 Cb -0.09 -2.33 0.01 0.00 -1.52 0.00 0.00 41.96 38.04 1k9a s TYR 263 CO -0.03 0.07 0.21 0.42 0.02 0.00 0.00 175.55 176.24 1k9a s ILE 264 N 1.04 4.75 -0.40 2.71 -1.09 -0.05 -1.03 121.20 127.14 1k9a s ILE 264 Ca 0.11 -0.63 -0.14 0.00 -2.23 0.00 0.00 60.65 57.77 1k9a s ILE 264 Cb -0.14 -3.56 0.02 0.00 -1.58 0.00 0.00 42.46 37.21 1k9a s ILE 264 CO 0.05 -0.13 0.27 -0.69 -1.23 0.00 0.00 174.94 173.21 1k9a s VAL 265 N 1.61 5.03 0.42 2.92 1.01 0.74 -1.81 120.40 130.32 1k9a s VAL 265 Ca 0.04 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.35 1k9a s VAL 265 Cb -0.18 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 1k9a s VAL 265 CO 0.07 -0.28 0.02 0.42 0.00 0.00 0.00 175.10 175.33 1k9a s THR 266 N 1.64 1.75 0.24 3.92 -4.23 -0.83 0.34 115.64 118.47 1k9a s THR 266 Ca 0.04 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.25 1k9a s THR 266 Cb -0.19 -2.82 -0.09 0.00 1.34 0.00 0.00 72.50 70.74 1k9a s THR 266 CO 0.09 0.00 1.24 -1.83 -0.54 0.00 0.00 174.62 173.58 1k9a s GLU 267 N -3.76 4.46 -0.05 3.99 -1.05 0.25 -1.25 118.70 121.30 1k9a s GLU 267 Ca 0.30 1.99 -0.30 0.00 -0.15 0.00 0.00 54.97 56.81 1k9a s GLU 267 Cb 0.08 -3.18 -0.03 0.00 -0.44 0.00 0.00 34.13 30.56 1k9a s GLU 267 CO 0.15 -0.10 1.17 -0.47 0.95 0.00 0.00 175.26 176.96 1k9a s TYR 268 N -0.44 3.26 -0.52 4.83 5.04 -1.24 -4.55 117.35 123.72 1k9a s TYR 268 Ca 0.52 1.28 -0.04 0.00 -2.44 0.00 0.00 57.07 56.38 1k9a s TYR 268 Cb -0.35 -3.39 0.14 0.00 0.35 0.00 0.00 41.96 38.71 1k9a s TYR 268 CO 0.41 -1.16 0.34 -1.64 -1.34 0.00 0.00 175.55 172.17 1k9a s MET 269 N 2.07 2.35 0.58 4.97 -1.94 -1.26 -4.75 119.30 121.32 1k9a s MET 269 Ca 0.55 -2.11 0.28 0.00 -1.71 0.00 0.00 55.69 52.70 1k9a s MET 269 Cb -0.24 -3.73 1.60 0.00 2.01 0.00 0.00 34.83 34.47 1k9a s MET 269 CO 0.22 -1.14 2.08 0.00 -0.01 0.00 0.00 175.02 176.17 1k9a h ALA 270 N 7.72 1.90 -0.47 3.03 0.00 -1.82 -3.15 119.26 126.47 1k9a h ALA 270 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1k9a h ALA 270 Cb 1.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1k9a h ALA 270 CO 0.73 -0.35 0.00 1.63 0.00 0.00 0.00 179.25 181.26 1k9a n LYS 271 N -3.87 3.47 0.00 0.00 5.02 -0.34 -4.93 118.16 117.51 1k9a n LYS 271 Ca 0.03 -2.74 0.00 0.00 -2.02 0.00 0.00 58.31 53.57 1k9a n LYS 271 Cb 0.37 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1k9a n LYS 271 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k9a n GLY 272 N 0.48 -1.04 3.67 0.72 0.00 -1.19 -4.61 105.19 103.22 1k9a n GLY 272 Ca 0.22 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 1k9a n GLY 272 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k9a n SER 273 N -2.16 1.85 -0.21 1.61 3.41 -1.26 -0.96 113.62 115.90 1k9a n SER 273 Ca 0.00 0.99 -0.02 0.00 -0.26 0.00 0.00 58.87 59.58 1k9a n SER 273 Cb 0.00 -1.46 0.09 0.00 -0.26 0.00 0.00 64.21 62.59 1k9a n SER 273 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1k9a h LEU 274 N 1.44 0.45 0.10 1.04 5.85 0.19 -2.34 115.31 122.04 1k9a h LEU 274 Ca -0.48 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.29 1k9a h LEU 274 Cb 1.32 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 1k9a h LEU 274 CO 0.56 0.29 -0.45 0.58 -0.34 0.00 0.00 178.44 179.08 1k9a h VAL 275 N 0.59 0.00 -0.55 1.05 2.07 -1.80 0.18 116.25 117.79 1k9a h VAL 275 Ca 0.29 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.92 1k9a h VAL 275 Cb 0.23 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.90 1k9a h VAL 275 CO -0.21 0.00 -0.09 0.44 0.02 0.00 0.00 177.57 177.74 1k9a h ASP 276 N -0.64 -0.42 -0.75 0.57 3.32 -1.86 0.35 116.42 117.00 1k9a h ASP 276 Ca -0.01 0.16 0.12 0.00 0.02 0.00 0.00 57.03 57.32 1k9a h ASP 276 Cb 0.64 0.31 -0.09 0.00 0.22 0.00 0.00 39.33 40.41 1k9a h ASP 276 CO -0.24 -0.15 0.33 0.22 -1.72 0.00 0.00 179.24 177.68 1k9a h TYR 277 N 0.04 0.58 -0.37 4.55 3.20 -0.80 0.33 116.97 124.50 1k9a h TYR 277 Ca 0.27 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.13 1k9a h TYR 277 Cb 0.42 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1k9a h TYR 277 CO -0.42 0.14 0.03 -0.07 -1.64 0.00 0.00 178.16 176.20 1k9a h LEU 278 N 0.52 0.61 -0.46 2.82 3.38 0.24 -1.35 115.31 121.08 1k9a h LEU 278 Ca 0.40 -0.28 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1k9a h LEU 278 Cb 0.54 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1k9a h LEU 278 CO -0.35 0.74 -0.25 0.03 0.09 0.00 0.00 178.44 178.70 1k9a h ARG 279 N 0.46 0.98 0.05 1.13 3.08 0.83 -1.02 114.38 119.89 1k9a h ARG 279 Ca 0.11 -0.44 -0.26 0.00 0.07 0.00 0.00 59.98 59.46 1k9a h ARG 279 Cb 0.41 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1k9a h ARG 279 CO 0.01 1.11 -1.28 0.66 -1.07 0.00 0.00 179.97 179.40 1k9a h SER 280 N 0.82 0.16 0.82 7.04 4.64 -0.42 -3.28 113.55 123.33 1k9a h SER 280 Ca 0.10 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1k9a h SER 280 Cb 0.83 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1k9a h SER 280 CO 0.07 1.17 -0.73 0.03 -0.87 0.00 0.00 176.83 176.50 1k9a h ARG 281 N 0.03 0.00 -0.57 4.77 3.08 -1.34 -3.50 114.38 116.85 1k9a h ARG 281 Ca -0.13 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.96 1k9a h ARG 281 Cb 1.90 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.94 1k9a h ARG 281 CO 0.14 0.00 -0.06 0.41 -1.07 0.00 0.00 179.97 179.39 1k9a n GLY 282 N 1.32 -0.21 0.36 0.04 0.00 -0.39 -2.89 105.19 103.43 1k9a n GLY 282 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1k9a n GLY 282 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1k9a n ARG 283 N -1.24 0.64 -0.05 1.61 1.85 -1.26 -1.73 116.66 116.48 1k9a n ARG 283 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.83 1k9a n ARG 283 Cb 0.52 -1.23 -0.13 0.00 -1.05 0.00 0.00 32.46 30.57 1k9a n ARG 283 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1k9a n SER 284 N -0.01 1.12 -0.05 2.89 7.64 -1.26 -4.63 113.62 119.33 1k9a n SER 284 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1k9a n SER 284 Cb 0.12 1.23 -0.07 0.00 -1.01 0.00 0.00 64.21 64.47 1k9a n SER 284 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1k9a n VAL 285 N -2.39 0.62 -3.07 0.44 0.31 -0.80 -4.95 118.33 108.49 1k9a n VAL 285 Ca -0.17 -0.38 -0.43 0.00 -0.01 0.00 0.00 64.34 63.35 1k9a n VAL 285 Cb 0.79 -0.77 -0.06 0.00 -0.91 0.00 0.00 33.84 32.90 1k9a n VAL 285 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1k9a s LEU 286 N -4.72 4.59 0.79 7.52 1.43 -0.71 -5.06 118.68 122.52 1k9a s LEU 286 Ca -0.05 -0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 52.39 1k9a s LEU 286 Cb 0.03 -2.65 0.06 0.00 0.03 0.00 0.00 46.19 43.66 1k9a s LEU 286 CO 0.36 -0.91 1.15 -0.83 0.23 0.00 0.00 176.35 176.35 1k9a s GLY 287 N 2.41 1.60 0.33 -3.19 0.00 -1.26 -4.75 107.32 102.46 1k9a s GLY 287 Ca 0.21 -0.52 0.04 0.00 0.00 0.00 0.00 44.72 44.46 1k9a s GLY 287 CO 0.17 -0.06 1.90 -1.33 0.00 0.00 0.00 173.10 173.77 1k9a h GLY 288 N -0.98 1.26 0.98 0.20 0.00 -1.97 -1.01 103.07 101.55 1k9a h GLY 288 Ca -0.46 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.51 1k9a h GLY 288 CO 0.65 0.20 0.21 -1.80 0.00 0.00 0.00 176.54 175.80 1k9a h ASP 289 N 0.87 0.41 -0.80 0.19 1.82 -1.93 -2.01 116.42 114.97 1k9a h ASP 289 Ca 0.41 -0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.99 1k9a h ASP 289 Cb 0.41 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 40.27 1k9a h ASP 289 CO -0.17 0.34 0.45 0.00 -1.61 0.00 0.00 179.24 178.24 1k9a h LEU 291 N 1.11 0.65 -0.49 0.00 3.38 -0.99 -2.59 115.31 116.37 1k9a h LEU 291 Ca 0.28 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 1k9a h LEU 291 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1k9a h LEU 291 CO -0.05 0.72 -0.65 0.25 0.09 0.00 0.00 178.44 178.81 1k9a h LEU 292 N 0.64 0.48 -1.02 1.67 5.85 -1.02 -2.50 115.31 119.41 1k9a h LEU 292 Ca 0.13 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 1k9a h LEU 292 Cb 0.41 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1k9a h LEU 292 CO 0.02 1.00 -0.08 0.50 -0.34 0.00 0.00 178.44 179.54 1k9a h LYS 293 N 0.30 0.61 -0.47 1.25 1.63 -1.12 -0.28 116.57 118.49 1k9a h LYS 293 Ca -0.01 -0.17 -0.13 0.00 -0.85 0.00 0.00 60.65 59.49 1k9a h LYS 293 Cb 1.20 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.75 1k9a h LYS 293 CO 0.11 0.69 -0.21 0.74 -3.45 0.00 0.00 179.45 177.33 1k9a h PHE 294 N 0.57 1.09 -0.31 1.91 0.05 -1.36 0.07 116.94 118.96 1k9a h PHE 294 Ca 0.11 -0.26 0.00 0.00 3.82 0.00 0.00 57.97 61.64 1k9a h PHE 294 Cb 0.48 -0.26 -0.02 0.00 2.00 0.00 0.00 35.95 38.16 1k9a h PHE 294 CO 0.02 1.06 0.20 0.77 -0.18 0.00 0.00 178.31 180.19 1k9a h SER 295 N 0.83 0.36 -0.20 2.17 0.02 -0.95 -1.21 113.55 114.57 1k9a h SER 295 Ca 0.11 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1k9a h SER 295 Cb 0.77 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1k9a h SER 295 CO 0.06 0.27 0.04 -0.07 -1.14 0.00 0.00 176.83 176.00 1k9a h LEU 296 N 0.42 0.31 -0.25 5.07 3.38 -0.89 0.62 115.31 123.97 1k9a h LEU 296 Ca 0.11 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1k9a h LEU 296 Cb -0.04 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 1k9a h LEU 296 CO -0.02 0.48 -0.55 0.44 0.09 0.00 0.00 178.44 178.87 1k9a h ASP 297 N 0.14 -1.79 -0.51 -0.43 3.32 -0.64 0.19 116.42 116.69 1k9a h ASP 297 Ca 0.06 0.22 0.02 0.00 0.02 0.00 0.00 57.03 57.36 1k9a h ASP 297 Cb 0.29 0.71 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 1k9a h ASP 297 CO 0.00 -0.45 0.31 0.58 -1.72 0.00 0.00 179.24 177.96 1k9a h VAL 298 N -0.51 1.06 -0.82 -1.35 2.07 -1.18 -2.51 116.25 113.01 1k9a h VAL 298 Ca 0.05 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1k9a h VAL 298 Cb 0.65 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 1k9a h VAL 298 CO -0.51 0.11 0.50 0.00 0.02 0.00 0.00 177.57 177.69 1k9a h GLU 300 N 0.89 0.71 -0.35 0.00 5.08 -0.33 -0.46 114.58 120.11 1k9a h GLU 300 Ca 0.37 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1k9a h GLU 300 Cb 0.21 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1k9a h GLU 300 CO -0.19 0.86 0.21 0.00 -1.00 0.00 0.00 179.01 178.90 1k9a h ALA 301 N 1.14 0.45 -0.33 3.43 0.00 -0.95 -0.97 119.26 122.03 1k9a h ALA 301 Ca 0.09 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1k9a h ALA 301 Cb 0.70 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1k9a h ALA 301 CO 0.05 -0.06 -0.10 0.52 0.00 0.00 0.00 179.25 179.66 1k9a h MET 302 N 0.46 0.55 -0.61 0.00 2.86 -1.05 -1.13 114.93 116.01 1k9a h MET 302 Ca 0.13 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1k9a h MET 302 Cb 0.00 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 1k9a h MET 302 CO -0.02 0.65 0.19 1.49 1.06 0.00 0.00 176.91 180.27 1k9a h GLU 303 N 0.51 0.92 -0.42 1.72 4.81 -0.49 0.01 114.58 121.65 1k9a h GLU 303 Ca 0.10 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1k9a h GLU 303 Cb 0.48 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1k9a h GLU 303 CO 0.03 0.80 0.07 -0.92 -0.73 0.00 0.00 179.01 178.25 1k9a h TYR 304 N 0.89 0.73 0.01 0.92 3.20 -0.45 0.98 116.97 123.26 1k9a h TYR 304 Ca 0.20 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1k9a h TYR 304 Cb 0.26 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.33 1k9a h TYR 304 CO 0.02 0.71 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.17 1k9a h LEU 305 N 0.54 -0.01 -1.27 2.82 3.38 -0.72 -0.69 115.31 119.36 1k9a h LEU 305 Ca 0.13 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.06 1k9a h LEU 305 Cb 0.37 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1k9a h LEU 305 CO 0.01 0.09 0.53 -0.08 0.09 0.00 0.00 178.44 179.07 1k9a h GLU 306 N -0.11 0.86 0.00 1.13 4.81 -0.93 0.57 114.58 120.92 1k9a h GLU 306 Ca -0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1k9a h GLU 306 Cb 0.11 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 1k9a h GLU 306 CO 0.00 0.57 -0.10 0.78 -0.73 0.00 0.00 179.01 179.53 1k9a h GLY 307 N 0.89 0.00 -2.36 1.92 0.00 0.01 -2.72 103.07 100.82 1k9a h GLY 307 Ca 0.34 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.43 1k9a h GLY 307 CO -0.12 0.00 -0.04 0.70 0.00 0.00 0.00 176.54 177.08 1k9a n ASN 308 N -3.53 2.84 -3.91 0.19 4.13 0.03 -4.96 115.26 110.05 1k9a n ASN 308 Ca -0.02 -3.79 -0.27 0.00 1.68 0.00 0.00 54.58 52.19 1k9a n ASN 308 Cb 0.24 -0.65 -0.01 0.00 -1.54 0.00 0.00 39.78 37.82 1k9a n ASN 308 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1k9a n ASN 309 N -1.10 -1.35 -4.06 6.41 3.02 -0.96 -4.98 115.26 112.24 1k9a n ASN 309 Ca 0.37 -1.02 -0.25 0.00 -0.03 0.00 0.00 54.58 53.65 1k9a n ASN 309 Cb 1.07 -3.07 -0.16 0.00 -0.61 0.00 0.00 39.78 37.00 1k9a n ASN 309 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1k9a s PHE 310 N -3.85 1.56 -0.17 3.10 2.99 -0.26 -4.08 117.98 117.26 1k9a s PHE 310 Ca 0.10 -0.54 -0.02 0.00 0.00 0.00 0.00 56.93 56.47 1k9a s PHE 310 Cb -0.04 -1.11 -0.01 0.00 0.00 0.00 0.00 43.02 41.86 1k9a s PHE 310 CO 0.89 -0.25 -0.09 0.08 -0.00 0.00 0.00 175.22 175.85 1k9a s VAL 311 N 0.47 3.23 -0.81 -0.44 1.01 -0.09 -3.88 120.40 119.88 1k9a s VAL 311 Ca -0.12 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 1k9a s VAL 311 Cb -0.14 -2.41 0.22 0.00 0.00 0.00 0.00 36.38 34.04 1k9a s VAL 311 CO 0.04 0.48 0.75 -2.28 0.00 0.00 0.00 175.10 174.09 1k9a s HIS 312 N 0.82 3.74 -0.19 5.22 2.46 -1.26 -1.56 115.29 124.51 1k9a s HIS 312 Ca -0.03 -2.01 0.00 0.00 0.47 0.00 0.00 55.06 53.49 1k9a s HIS 312 Cb -0.15 -3.79 0.00 0.00 -0.13 0.00 0.00 32.58 28.51 1k9a s HIS 312 CO 0.01 -0.98 0.50 0.54 -2.47 0.00 0.00 174.74 172.33 1k9a n ARG 313 N 3.97 0.55 -2.71 2.88 1.74 -1.26 -3.49 116.66 118.34 1k9a n ARG 313 Ca 0.13 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.18 1k9a n ARG 313 Cb 0.46 -1.23 0.10 0.00 -1.02 0.00 0.00 32.46 30.77 1k9a n ARG 313 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1k9a n ASP 314 N 0.63 -0.65 -4.72 0.55 2.03 -1.26 -5.04 116.55 108.08 1k9a n ASP 314 Ca 0.00 -2.27 -0.42 0.00 0.52 0.00 0.00 54.79 52.62 1k9a n ASP 314 Cb 0.25 0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 41.01 1k9a n ASP 314 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1k9a s LEU 315 N -3.78 4.42 -0.18 -2.67 0.20 -1.23 -4.85 118.68 110.60 1k9a s LEU 315 Ca 0.17 2.03 -0.31 0.00 0.69 0.00 0.00 54.13 56.71 1k9a s LEU 315 Cb 0.41 -3.59 0.14 0.00 -0.43 0.00 0.00 46.19 42.73 1k9a s LEU 315 CO -0.09 -0.35 1.13 0.00 -0.29 0.00 0.00 176.35 176.75 1k9a s ALA 316 N 0.47 -2.00 0.56 5.97 0.00 -1.26 -4.82 121.76 120.67 1k9a s ALA 316 Ca 0.54 1.59 0.25 0.00 0.00 0.00 0.00 51.96 54.35 1k9a s ALA 316 Cb -0.29 -0.60 1.54 0.00 0.00 0.00 0.00 23.12 23.77 1k9a s ALA 316 CO 0.32 -0.42 2.10 0.00 0.00 0.00 0.00 175.76 177.76 1k9a h ALA 317 N 2.21 1.96 0.00 0.00 0.00 -1.94 0.15 119.26 121.64 1k9a h ALA 317 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1k9a h ALA 317 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1k9a h ALA 317 CO 0.27 -0.28 0.00 2.89 0.00 0.00 0.00 179.25 182.12 1k9a n ARG 318 N -4.08 0.18 -0.88 0.00 1.85 -1.26 -2.91 116.66 109.56 1k9a n ARG 318 Ca 0.02 0.27 -0.06 0.00 -1.00 0.00 0.00 57.85 57.08 1k9a n ARG 318 Cb 0.31 -1.77 0.24 0.00 -1.05 0.00 0.00 32.46 30.20 1k9a n ARG 318 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1k9a n ASN 319 N -2.10 3.76 -4.07 2.89 3.02 0.51 -4.81 115.26 114.47 1k9a n ASN 319 Ca 0.04 -3.41 -0.26 0.00 -0.03 0.00 0.00 54.58 50.92 1k9a n ASN 319 Cb 0.32 -0.69 -0.17 0.00 -0.61 0.00 0.00 39.78 38.64 1k9a n ASN 319 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k9a s VAL 320 N -3.09 1.33 0.25 2.41 1.01 -1.15 -1.71 120.40 119.45 1k9a s VAL 320 Ca 0.50 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.95 1k9a s VAL 320 Cb 0.42 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1k9a s VAL 320 CO 0.08 0.40 0.14 -0.76 0.00 0.00 0.00 175.10 174.96 1k9a s LEU 321 N 0.52 3.66 -0.11 3.92 1.43 -0.28 0.61 118.68 128.43 1k9a s LEU 321 Ca -0.14 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1k9a s LEU 321 Cb -0.16 -2.20 -0.00 0.00 0.03 0.00 0.00 46.19 43.86 1k9a s LEU 321 CO 0.04 -0.02 -0.20 -0.69 0.23 0.00 0.00 176.35 175.71 1k9a s VAL 322 N -2.15 2.38 0.91 -1.59 1.01 -0.13 -0.86 120.40 119.95 1k9a s VAL 322 Ca 0.32 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 1k9a s VAL 322 Cb -0.08 -1.94 0.15 0.00 0.00 0.00 0.00 36.38 34.51 1k9a s VAL 322 CO 0.24 0.55 1.21 -0.94 0.00 0.00 0.00 175.10 176.15 1k9a s SER 323 N 0.39 3.59 0.51 3.32 1.04 0.43 -1.20 113.70 121.78 1k9a s SER 323 Ca -0.15 0.64 0.15 0.00 0.48 0.00 0.00 55.95 57.07 1k9a s SER 323 Cb -0.17 -0.99 1.24 0.00 0.10 0.00 0.00 66.02 66.20 1k9a s SER 323 CO 0.07 -2.47 2.14 -0.08 0.98 0.00 0.00 173.24 173.88 1k9a h GLU 324 N -1.45 0.03 -0.92 4.02 4.57 -1.90 -0.46 114.58 118.48 1k9a h GLU 324 Ca -0.46 -0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.44 1k9a h GLU 324 Cb 1.30 -0.01 -0.16 0.00 -0.16 0.00 0.00 28.75 29.72 1k9a h GLU 324 CO 0.54 0.03 0.34 -0.25 -1.18 0.00 0.00 179.01 178.49 1k9a n ASP 325 N -4.53 3.79 -2.11 1.04 8.00 -1.26 -4.90 116.55 116.59 1k9a n ASP 325 Ca -0.03 -3.02 -0.17 0.00 0.71 0.00 0.00 54.79 52.28 1k9a n ASP 325 Cb 0.09 -0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 40.45 1k9a n ASP 325 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1k9a n ASN 326 N -0.37 -4.90 -4.70 -2.24 5.03 -0.18 -4.96 115.26 102.94 1k9a n ASN 326 Ca 0.37 0.19 -0.38 0.00 0.87 0.00 0.00 54.58 55.63 1k9a n ASN 326 Cb 1.23 -4.20 -0.06 0.00 -1.02 0.00 0.00 39.78 35.73 1k9a n ASN 326 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1k9a s VAL 327 N -2.73 5.16 0.10 2.41 1.01 -1.26 -4.77 120.40 120.32 1k9a s VAL 327 Ca 0.00 0.98 -0.20 0.00 0.00 0.00 0.00 61.98 62.76 1k9a s VAL 327 Cb 0.00 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 1k9a s VAL 327 CO 0.00 0.28 0.61 0.00 0.00 0.00 0.00 175.10 175.98 1k9a s ALA 328 N 0.95 3.56 -0.07 5.51 0.00 -1.26 -0.43 121.76 130.01 1k9a s ALA 328 Ca 0.26 0.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.27 1k9a s ALA 328 Cb -0.15 -2.68 0.04 0.00 0.00 0.00 0.00 23.12 20.32 1k9a s ALA 328 CO 0.10 0.38 0.15 0.15 0.00 0.00 0.00 175.76 176.55 1k9a s LYS 329 N -1.24 0.10 0.49 0.00 1.02 -0.04 -4.58 119.74 115.48 1k9a s LYS 329 Ca 0.32 0.38 -0.22 0.00 0.02 0.00 0.00 55.97 56.46 1k9a s LYS 329 Cb -0.19 -0.17 -0.07 0.00 -0.52 0.00 0.00 37.83 36.88 1k9a s LYS 329 CO 0.20 -0.16 1.23 0.08 -0.92 0.00 0.00 175.35 175.78 1k9a s VAL 330 N 1.15 2.77 0.00 3.17 1.01 -0.54 -1.13 120.40 126.83 1k9a s VAL 330 Ca -0.09 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1k9a s VAL 330 Cb -0.11 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1k9a s VAL 330 CO -0.06 -0.01 0.00 -1.54 0.00 0.00 0.00 175.10 173.49 1k9a n SER 331 N -0.67 0.00 -3.16 3.32 3.41 -0.70 -1.95 113.62 113.87 1k9a n SER 331 Ca 0.08 -0.03 -0.05 0.00 -0.26 0.00 0.00 58.87 58.61 1k9a n SER 331 Cb 0.47 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.43 1k9a n SER 331 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1k9a n ASP 332 N -0.08 -7.35 -1.41 4.04 -0.08 -1.26 -4.83 116.55 105.57 1k9a n ASP 332 Ca 0.00 -0.27 0.06 0.00 -1.51 0.00 0.00 54.79 53.07 1k9a n ASP 332 Cb 0.00 -5.00 0.28 0.00 2.34 0.00 0.00 41.12 38.74 1k9a n ASP 332 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1k9a n PHE 333 N -2.14 1.36 -0.22 -0.67 3.01 -1.26 -4.52 117.46 113.01 1k9a n PHE 333 Ca -0.04 -0.49 0.02 0.00 1.01 0.00 0.00 57.45 57.96 1k9a n PHE 333 Cb 0.54 -0.32 0.14 0.00 -0.01 0.00 0.00 39.48 39.82 1k9a n PHE 333 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1k9a h GLY 334 N 4.41 0.89 0.30 1.37 0.00 -1.88 -1.88 103.07 106.28 1k9a h GLY 334 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1k9a h GLY 334 CO 0.29 -0.12 -0.30 1.04 0.00 0.00 0.00 176.54 177.44 1k9a n LEU 335 N -5.11 0.98 -4.71 3.11 4.77 -1.26 -4.58 117.00 110.21 1k9a n LEU 335 Ca 0.11 -0.24 -0.43 0.00 -0.03 0.00 0.00 56.01 55.42 1k9a n LEU 335 Cb 0.36 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1k9a n LEU 335 CO 0.17 0.19 1.31 0.41 -1.33 0.00 0.00 177.39 178.14 1k9a n THR 336 N -0.75 0.15 -3.54 -5.08 -1.04 -0.71 -4.34 114.28 98.97 1k9a n THR 336 Ca 0.11 -0.04 -0.07 0.00 -2.04 0.00 0.00 64.05 62.01 1k9a n THR 336 Cb 0.35 -1.88 -0.03 0.00 -1.82 0.00 0.00 70.33 66.96 1k9a n THR 336 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1k9a s LYS 337 N 0.87 0.62 0.62 -2.82 2.20 -0.60 -4.95 119.74 115.69 1k9a s LYS 337 Ca 0.74 -0.17 -0.18 0.00 -0.36 0.00 0.00 55.97 56.00 1k9a s LYS 337 Cb -0.54 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.03 1k9a s LYS 337 CO 0.36 -0.26 0.98 -1.91 -0.36 0.00 0.00 175.35 174.15 1k9a n GLU 338 N -0.03 0.85 -1.65 4.03 2.13 -1.26 -0.91 120.64 123.80 1k9a n GLU 338 Ca -0.06 0.33 -0.57 0.00 0.66 0.00 0.00 57.16 57.52 1k9a n GLU 338 Cb 0.60 -2.19 -0.07 0.00 0.27 0.00 0.00 31.44 30.05 1k9a n GLU 338 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1k9a n ALA 339 N -1.86 -1.08 -3.00 4.31 0.00 -1.26 -4.74 120.51 112.88 1k9a n ALA 339 Ca 0.14 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1k9a n ALA 339 Cb 0.48 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1k9a n ALA 339 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1k9a n SER 340 N 3.73 0.00 -1.70 0.00 2.88 -1.14 -5.03 113.62 112.36 1k9a n SER 340 Ca 0.24 -0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1k9a n SER 340 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1k9a n SER 340 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1k9a n SER 341 N -0.14 0.00 -1.64 -3.46 3.41 -1.26 -0.65 113.62 109.87 1k9a n SER 341 Ca 0.00 -0.85 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 1k9a n SER 341 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1k9a n SER 341 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1k9a n THR 342 N -0.85 -2.96 0.00 6.66 -1.04 -0.94 -4.78 114.28 110.37 1k9a n THR 342 Ca 0.00 0.81 0.00 0.00 -2.04 0.00 0.00 64.05 62.82 1k9a n THR 342 Cb 0.00 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 1k9a n THR 342 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1k9a n LEU 348 N 1.40 0.00 -4.76 -4.42 4.77 -1.26 -4.99 117.00 107.74 1k9a n LEU 348 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 1k9a n LEU 348 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1k9a n LEU 348 CO 0.00 0.00 0.74 -2.84 -1.33 0.00 0.00 177.39 173.96 1k9a s PRO 349 N -2.00 2.65 -0.04 3.23 0.02 -1.26 -5.00 135.00 132.60 1k9a s PRO 349 Ca 0.00 1.42 0.02 0.00 0.02 0.00 0.00 61.00 62.46 1k9a s PRO 349 Cb 0.00 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1k9a s PRO 349 CO 0.00 -1.37 -0.02 1.33 -0.33 0.00 0.00 177.00 176.61 1k9a n VAL 350 N -2.56 0.27 0.20 3.83 0.24 -1.26 -4.46 118.33 114.59 1k9a n VAL 350 Ca 0.11 -0.13 0.16 0.00 -2.04 0.00 0.00 64.34 62.44 1k9a n VAL 350 Cb 0.52 -0.77 0.65 0.00 -1.47 0.00 0.00 33.84 32.77 1k9a n VAL 350 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1k9a h LYS 351 N 0.00 0.00 0.00 7.34 1.57 -1.97 -2.01 116.57 121.50 1k9a h LYS 351 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1k9a h LYS 351 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1k9a h LYS 351 CO -0.01 0.00 -0.20 0.91 -0.57 0.00 0.00 179.45 179.58 1k9a n TRP 352 N -3.15 0.00 -2.79 -1.35 8.01 -1.26 -4.98 117.44 111.92 1k9a n TRP 352 Ca 0.04 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.94 1k9a n TRP 352 Cb 0.65 -0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.93 1k9a n TRP 352 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 1k9a s THR 353 N -1.26 4.84 0.08 -0.99 2.01 -0.76 -3.98 115.64 115.57 1k9a s THR 353 Ca 0.00 0.47 -0.23 0.00 0.31 0.00 0.00 61.69 62.24 1k9a s THR 353 Cb 0.01 -3.78 -0.06 0.00 0.01 0.00 0.00 72.50 68.68 1k9a s THR 353 CO 0.06 -0.62 0.70 0.00 -0.69 0.00 0.00 174.62 174.07 1k9a s ALA 354 N -2.49 3.45 0.29 7.40 0.00 -1.26 -4.93 121.76 124.23 1k9a s ALA 354 Ca 0.50 0.22 -0.01 0.00 0.00 0.00 0.00 51.96 52.66 1k9a s ALA 354 Cb -0.10 -2.87 0.65 0.00 0.00 0.00 0.00 23.12 20.79 1k9a s ALA 354 CO 0.36 0.21 1.58 -1.35 0.00 0.00 0.00 175.76 176.56 1k9a h PRO 355 N 5.05 0.03 -0.26 0.00 0.11 -1.96 0.29 132.00 135.25 1k9a h PRO 355 Ca -0.46 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1k9a h PRO 355 Cb 1.21 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1k9a h PRO 355 CO 0.68 0.02 0.09 0.93 -0.21 0.00 0.00 178.00 179.51 1k9a h GLU 356 N 0.03 0.41 -0.52 1.05 3.07 -1.93 0.05 114.58 116.75 1k9a h GLU 356 Ca 0.54 -0.08 0.10 0.00 -0.50 0.00 0.00 59.36 59.42 1k9a h GLU 356 Cb 1.06 -0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 28.83 1k9a h GLU 356 CO -0.88 0.47 0.06 0.00 -1.40 0.00 0.00 179.01 177.25 1k9a h ALA 357 N 0.92 0.54 0.80 3.43 0.00 -0.69 0.49 119.26 124.75 1k9a h ALA 357 Ca 0.09 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1k9a h ALA 357 Cb 0.23 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1k9a h ALA 357 CO -0.00 -0.35 -0.38 -0.07 0.00 0.00 0.00 179.25 178.44 1k9a h LEU 358 N 0.18 -0.91 0.37 0.00 3.38 -0.87 0.27 115.31 117.73 1k9a h LEU 358 Ca 0.26 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1k9a h LEU 358 Cb 0.38 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1k9a h LEU 358 CO -0.38 -0.61 -0.18 -0.09 0.09 0.00 0.00 178.44 177.27 1k9a h ARG 359 N -1.14 -0.48 -0.01 1.13 2.43 -0.57 -3.19 114.38 112.54 1k9a h ARG 359 Ca -0.11 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1k9a h ARG 359 Cb 0.83 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1k9a h ARG 359 CO 0.18 -0.31 -0.29 -0.85 -1.51 0.00 0.00 179.97 177.19 1k9a n GLU 360 N -5.30 0.85 -3.91 0.20 0.28 0.17 -4.97 120.64 107.95 1k9a n GLU 360 Ca -0.11 -0.52 -0.25 0.00 -0.16 0.00 0.00 57.16 56.12 1k9a n GLU 360 Cb 0.22 -1.49 -0.01 0.00 1.43 0.00 0.00 31.44 31.59 1k9a n GLU 360 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1k9a n LYS 361 N -0.62 -3.74 -3.67 3.44 5.02 0.93 -4.95 118.16 114.57 1k9a n LYS 361 Ca 0.12 0.46 -0.21 0.00 -2.02 0.00 0.00 58.31 56.65 1k9a n LYS 361 Cb 0.36 -4.74 -0.18 0.00 -0.02 0.00 0.00 35.03 30.45 1k9a n LYS 361 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1k9a s LYS 362 N -6.45 0.02 0.08 1.97 1.02 -1.21 -2.20 119.74 112.98 1k9a s LYS 362 Ca 0.07 0.28 -0.08 0.00 0.02 0.00 0.00 55.97 56.26 1k9a s LYS 362 Cb -0.04 -0.75 -0.06 0.00 -0.52 0.00 0.00 37.83 36.47 1k9a s LYS 362 CO 0.87 -0.37 0.38 -0.06 -0.92 0.00 0.00 175.35 175.24 1k9a s PHE 363 N 2.14 3.56 0.21 3.18 0.40 0.17 -4.28 117.98 123.36 1k9a s PHE 363 Ca 0.05 0.70 -0.05 0.00 -0.60 0.00 0.00 56.93 57.03 1k9a s PHE 363 Cb -0.13 -2.10 -0.03 0.00 0.51 0.00 0.00 43.02 41.28 1k9a s PHE 363 CO -0.04 0.51 0.24 -1.54 0.70 0.00 0.00 175.22 175.09 1k9a s SER 364 N -1.90 0.08 0.41 1.36 1.04 -1.26 -2.88 113.70 110.55 1k9a s SER 364 Ca 0.34 -1.21 0.12 0.00 0.48 0.00 0.00 55.95 55.68 1k9a s SER 364 Cb -0.13 0.44 0.95 0.00 0.10 0.00 0.00 66.02 67.37 1k9a s SER 364 CO 0.19 -0.93 1.95 0.74 0.98 0.00 0.00 173.24 176.18 1k9a h THR 365 N 2.52 0.90 -0.77 2.02 2.02 -1.98 0.79 112.91 118.41 1k9a h THR 365 Ca -0.33 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 66.70 1k9a h THR 365 Cb 1.25 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1k9a h THR 365 CO 0.48 0.09 0.51 0.11 0.37 0.00 0.00 175.52 177.08 1k9a h LYS 366 N 0.52 0.94 -0.13 6.66 1.79 -1.94 0.68 116.57 125.09 1k9a h LYS 366 Ca 0.32 -0.06 -0.11 0.00 -2.18 0.00 0.00 60.65 58.62 1k9a h LYS 366 Cb 0.54 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1k9a h LYS 366 CO -0.10 0.62 -0.41 0.66 -1.08 0.00 0.00 179.45 179.14 1k9a h SER 367 N 0.97 0.31 -0.12 0.86 4.64 -1.24 -2.06 113.55 116.91 1k9a h SER 367 Ca 0.30 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.41 1k9a h SER 367 Cb 0.02 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1k9a h SER 367 CO -0.08 0.69 -0.16 0.44 -0.87 0.00 0.00 176.83 176.84 1k9a h ASP 368 N 0.25 0.49 -0.48 4.97 3.32 -0.62 -1.70 116.42 122.65 1k9a h ASP 368 Ca 0.02 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1k9a h ASP 368 Cb 0.83 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1k9a h ASP 368 CO 0.07 0.68 0.32 0.58 -1.72 0.00 0.00 179.24 179.16 1k9a h VAL 369 N 0.46 1.13 -0.35 -1.35 2.07 -0.30 0.36 116.25 118.27 1k9a h VAL 369 Ca 0.08 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1k9a h VAL 369 Cb 0.55 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1k9a h VAL 369 CO 0.04 0.12 0.07 -0.25 0.02 0.00 0.00 177.57 177.57 1k9a h TRP 370 N 0.65 0.12 -0.26 1.57 2.91 -0.88 -0.65 115.95 119.42 1k9a h TRP 370 Ca 0.18 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.25 1k9a h TRP 370 Cb -0.07 -0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.55 1k9a h TRP 370 CO -0.04 0.02 0.08 0.77 -1.03 0.00 0.00 178.44 178.24 1k9a h SER 371 N 0.19 0.08 -0.89 2.65 0.02 -0.36 0.14 113.55 115.38 1k9a h SER 371 Ca 0.16 0.03 0.17 0.00 -0.84 0.00 0.00 61.79 61.31 1k9a h SER 371 Cb 0.18 0.02 -0.07 0.00 0.14 0.00 0.00 62.40 62.68 1k9a h SER 371 CO -0.21 0.08 0.58 0.15 -1.14 0.00 0.00 176.83 176.28 1k9a h PHE 372 N 0.19 0.74 -0.05 3.45 3.57 0.35 0.15 116.94 125.33 1k9a h PHE 372 Ca 0.11 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1k9a h PHE 372 Cb 0.09 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1k9a h PHE 372 CO -0.13 0.24 -0.02 0.78 -2.23 0.00 0.00 178.31 176.95 1k9a h GLY 373 N 0.59 0.03 1.01 2.40 0.00 0.54 0.99 103.07 108.63 1k9a h GLY 373 Ca 0.46 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.82 1k9a h GLY 373 CO -0.21 -0.03 0.56 -2.22 0.00 0.00 0.00 176.54 174.64 1k9a h ILE 374 N -0.01 1.22 -0.24 2.60 1.08 -0.13 -1.64 117.51 120.39 1k9a h ILE 374 Ca 0.03 -0.42 -0.04 0.00 -0.39 0.00 0.00 64.86 64.04 1k9a h ILE 374 Cb 0.05 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 33.77 1k9a h ILE 374 CO -0.06 0.22 -0.02 0.25 -0.69 0.00 0.00 178.15 177.85 1k9a h LEU 375 N 1.16 0.33 -0.58 1.44 5.85 -0.50 -0.65 115.31 122.35 1k9a h LEU 375 Ca 0.31 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 1k9a h LEU 375 Cb -0.12 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1k9a h LEU 375 CO -0.07 0.40 0.11 -0.07 -0.34 0.00 0.00 178.44 178.47 1k9a h LEU 376 N 0.35 0.92 -0.31 2.25 3.38 0.11 -0.52 115.31 121.47 1k9a h LEU 376 Ca 0.08 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1k9a h LEU 376 Cb 0.27 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1k9a h LEU 376 CO 0.01 0.94 0.20 -0.25 0.09 0.00 0.00 178.44 179.43 1k9a h TRP 377 N 0.86 0.40 -0.43 1.13 7.01 -0.67 -0.67 115.95 123.58 1k9a h TRP 377 Ca 0.18 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.20 1k9a h TRP 377 Cb 0.40 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.30 1k9a h TRP 377 CO 0.03 0.28 0.25 0.93 -2.79 0.00 0.00 178.44 177.14 1k9a h GLU 378 N 0.42 0.49 -0.62 2.65 5.08 -0.83 0.15 114.58 121.92 1k9a h GLU 378 Ca 0.11 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1k9a h GLU 378 Cb -0.02 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 1k9a h GLU 378 CO -0.02 0.32 0.33 0.82 -1.00 0.00 0.00 179.01 179.46 1k9a h ILE 379 N 0.51 0.95 -0.00 3.13 2.04 -0.67 -0.23 117.51 123.23 1k9a h ILE 379 Ca 0.17 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1k9a h ILE 379 Cb 0.02 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1k9a h ILE 379 CO -0.08 0.11 -0.13 -1.22 0.00 0.00 0.00 178.15 176.83 1k9a n TYR 380 N -4.83 0.00 -0.46 1.37 4.02 -0.30 -2.70 117.16 114.26 1k9a n TYR 380 Ca 0.07 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.06 1k9a n TYR 380 Cb 0.17 -0.31 0.29 0.00 -0.02 0.00 0.00 39.34 39.47 1k9a n TYR 380 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1k9a n SER 381 N -1.27 3.98 -3.48 7.72 7.64 0.49 -4.65 113.62 124.04 1k9a n SER 381 Ca 0.11 -2.23 -0.25 0.00 1.01 0.00 0.00 58.87 57.51 1k9a n SER 381 Cb 0.30 -0.46 -0.01 0.00 -1.01 0.00 0.00 64.21 63.03 1k9a n SER 381 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1k9a n PHE 382 N 1.02 -1.75 0.00 1.43 3.01 -0.42 -1.83 117.46 118.92 1k9a n PHE 382 Ca 0.22 0.49 0.00 0.00 1.01 0.00 0.00 57.45 59.16 1k9a n PHE 382 Cb 0.69 -2.74 0.00 0.00 -0.01 0.00 0.00 39.48 37.41 1k9a n PHE 382 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1k9a n GLY 383 N -1.14 2.42 3.39 1.37 0.00 -0.23 -3.31 105.19 107.68 1k9a n GLY 383 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1k9a n GLY 383 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k9a n ARG 384 N -1.26 0.30 -2.45 1.61 1.74 -0.76 -4.86 116.66 110.98 1k9a n ARG 384 Ca 0.00 0.11 -0.41 0.00 -0.77 0.00 0.00 57.85 56.78 1k9a n ARG 384 Cb 0.00 -1.26 -0.04 0.00 -1.02 0.00 0.00 32.46 30.14 1k9a n ARG 384 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1k9a s VAL 385 N -1.52 3.56 0.83 1.55 1.01 -1.26 -4.77 120.40 119.80 1k9a s VAL 385 Ca 0.62 1.46 -0.13 0.00 0.00 0.00 0.00 61.98 63.92 1k9a s VAL 385 Cb -0.64 -3.93 0.07 0.00 0.00 0.00 0.00 36.38 31.88 1k9a s VAL 385 CO 0.60 0.30 0.99 -2.65 0.00 0.00 0.00 175.10 174.34 1k9a n PRO 386 N 1.72 0.06 -3.70 2.72 -0.02 -1.26 -3.79 135.00 130.72 1k9a n PRO 386 Ca 0.01 0.09 -0.25 0.00 -2.02 0.00 0.00 63.50 61.32 1k9a n PRO 386 Cb 0.45 -2.27 0.01 0.00 -0.02 0.00 0.00 33.50 31.67 1k9a n PRO 386 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1k9a n TYR 387 N -3.32 -2.07 -0.37 6.00 4.02 -1.26 -4.87 117.16 115.29 1k9a n TYR 387 Ca 0.12 0.69 -0.09 0.00 -0.01 0.00 0.00 57.90 58.60 1k9a n TYR 387 Cb 0.51 -3.12 -0.08 0.00 -0.02 0.00 0.00 39.34 36.63 1k9a n TYR 387 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1k9a n PRO 388 N -3.18 -0.38 -3.54 -0.72 -0.02 -1.25 -3.46 135.00 122.45 1k9a n PRO 388 Ca -0.19 1.34 -0.27 0.00 -2.02 0.00 0.00 63.50 62.36 1k9a n PRO 388 Cb 0.62 -1.98 -0.09 0.00 -0.02 0.00 0.00 33.50 32.03 1k9a n PRO 388 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1k9a n ARG 389 N -5.12 2.20 -3.46 -0.52 1.74 -1.26 -5.01 116.66 105.23 1k9a n ARG 389 Ca 0.02 -4.52 0.01 0.00 -0.77 0.00 0.00 57.85 52.59 1k9a n ARG 389 Cb 0.24 -2.20 -0.04 0.00 -1.02 0.00 0.00 32.46 29.44 1k9a n ARG 389 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1k9a s ILE 390 N -2.08 -0.62 0.67 0.55 2.07 -1.23 -5.16 121.20 115.40 1k9a s ILE 390 Ca 0.35 0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.42 1k9a s ILE 390 Cb 0.10 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.65 1k9a s ILE 390 CO -0.06 0.00 0.79 -2.65 -1.91 0.00 0.00 174.94 171.11 1k9a n PRO 391 N 5.10 0.56 0.03 3.50 -0.02 -1.26 -4.73 135.00 138.17 1k9a n PRO 391 Ca -0.10 0.23 -0.10 0.00 -2.02 0.00 0.00 63.50 61.52 1k9a n PRO 391 Cb 0.52 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 1k9a n PRO 391 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1k9a h LEU 392 N -0.02 -0.53 -1.41 2.45 -0.00 -2.01 -0.89 115.31 112.90 1k9a h LEU 392 Ca -0.47 0.09 0.06 0.00 -0.00 0.00 0.00 57.88 57.55 1k9a h LEU 392 Cb 1.36 0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 42.24 1k9a h LEU 392 CO 0.47 -0.23 0.61 0.11 -0.00 0.00 0.00 178.44 179.40 1k9a h LYS 393 N -0.25 0.00 0.01 1.13 6.56 -2.05 -1.56 116.57 120.40 1k9a h LYS 393 Ca 0.08 0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 59.42 1k9a h LYS 393 Cb 0.36 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.98 1k9a h LYS 393 CO -0.21 0.00 -1.36 -0.25 -2.06 0.00 0.00 179.45 175.57 1k9a n ASP 394 N -3.00 1.88 -0.10 0.86 8.00 -0.38 -4.63 116.55 119.18 1k9a n ASP 394 Ca 0.03 0.41 -0.03 0.00 0.71 0.00 0.00 54.79 55.91 1k9a n ASP 394 Cb 0.70 -0.96 -0.02 0.00 -0.02 0.00 0.00 41.12 40.82 1k9a n ASP 394 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1k9a n VAL 395 N -4.37 -0.16 0.21 2.53 0.31 -0.59 -1.80 118.33 114.45 1k9a n VAL 395 Ca -0.33 0.87 -0.16 0.00 -0.01 0.00 0.00 64.34 64.71 1k9a n VAL 395 Cb 0.71 -1.10 -0.08 0.00 -0.91 0.00 0.00 33.84 32.46 1k9a n VAL 395 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1k9a h VAL 396 N 0.00 0.20 -0.88 2.52 2.07 -1.83 -0.58 116.25 117.74 1k9a h VAL 396 Ca 0.04 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.71 1k9a h VAL 396 Cb 0.10 0.20 -0.09 0.00 -1.52 0.00 0.00 31.29 29.97 1k9a h VAL 396 CO -0.22 0.00 0.48 -0.65 0.02 0.00 0.00 177.57 177.19 1k9a h PRO 397 N -0.76 0.66 -0.18 1.57 0.11 -1.63 -0.04 132.00 131.73 1k9a h PRO 397 Ca -0.02 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1k9a h PRO 397 Cb 0.71 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1k9a h PRO 397 CO -0.11 0.44 0.03 0.00 -0.21 0.00 0.00 178.00 178.15 1k9a h ARG 398 N 0.68 0.29 -0.55 1.05 2.47 -1.08 -3.06 114.38 114.18 1k9a h ARG 398 Ca 0.48 -0.08 -0.06 0.00 -1.26 0.00 0.00 59.98 59.07 1k9a h ARG 398 Cb 0.67 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.93 1k9a h ARG 398 CO -0.35 0.45 0.12 0.28 0.56 0.00 0.00 179.97 181.03 1k9a h VAL 399 N 0.08 1.23 0.00 2.04 2.07 -0.57 -1.58 116.25 119.53 1k9a h VAL 399 Ca 0.05 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1k9a h VAL 399 Cb 0.30 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1k9a h VAL 399 CO 0.00 0.32 0.00 -0.62 0.02 0.00 0.00 177.57 177.29 1k9a n GLU 400 N -4.26 0.58 -0.27 1.57 1.02 -0.08 -1.36 120.64 117.85 1k9a n GLU 400 Ca 0.04 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.24 1k9a n GLU 400 Cb 0.24 -1.13 0.10 0.00 -0.02 0.00 0.00 31.44 30.63 1k9a n GLU 400 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1k9a n LYS 401 N -0.63 0.87 -0.75 3.49 5.02 -0.65 -4.98 118.16 120.53 1k9a n LYS 401 Ca 0.04 -2.11 0.00 0.00 -2.02 0.00 0.00 58.31 54.22 1k9a n LYS 401 Cb 0.02 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1k9a n LYS 401 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k9a n GLY 402 N -0.93 0.56 3.74 0.72 0.00 -0.46 -5.05 105.19 103.77 1k9a n GLY 402 Ca 0.11 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 1k9a n GLY 402 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1k9a s TYR 403 N -2.00 3.87 0.00 1.61 5.04 -0.84 -4.99 117.35 120.04 1k9a s TYR 403 Ca 0.00 1.79 0.01 0.00 -2.44 0.00 0.00 57.07 56.42 1k9a s TYR 403 Cb 0.00 -2.97 -0.00 0.00 0.35 0.00 0.00 41.96 39.34 1k9a s TYR 403 CO 0.00 0.33 -0.02 0.15 -1.34 0.00 0.00 175.55 174.68 1k9a s LYS 404 N -0.53 0.15 1.05 4.97 -0.14 -1.26 -4.52 119.74 119.47 1k9a s LYS 404 Ca 0.43 -0.11 -0.12 0.00 -1.36 0.00 0.00 55.97 54.81 1k9a s LYS 404 Cb -0.24 -0.12 0.21 0.00 -1.68 0.00 0.00 37.83 36.00 1k9a s LYS 404 CO 0.29 0.03 1.00 -1.33 -0.76 0.00 0.00 175.35 174.59 1k9a n MET 405 N 2.92 -1.48 -2.26 1.68 2.81 -1.26 -5.00 117.12 114.53 1k9a n MET 405 Ca -0.13 -0.38 -0.25 0.00 -1.81 0.00 0.00 57.70 55.12 1k9a n MET 405 Cb 0.59 -2.22 0.06 0.00 -0.71 0.00 0.00 33.22 30.94 1k9a n MET 405 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1k9a s ASP 406 N -2.46 4.91 -0.09 7.83 1.01 -1.26 -5.00 116.67 121.60 1k9a s ASP 406 Ca 0.67 0.41 -0.30 0.00 0.71 0.00 0.00 52.55 54.04 1k9a s ASP 406 Cb -0.24 -1.11 -0.03 0.00 1.01 0.00 0.00 42.92 42.55 1k9a s ASP 406 CO 0.62 -1.52 1.35 0.00 0.21 0.00 0.00 175.17 175.83 1k9a s ALA 407 N -3.18 3.61 0.54 5.23 0.00 -1.26 -4.96 121.76 121.74 1k9a s ALA 407 Ca 0.59 0.65 -0.20 0.00 0.00 0.00 0.00 51.96 53.01 1k9a s ALA 407 Cb -0.11 -3.62 -0.08 0.00 0.00 0.00 0.00 23.12 19.31 1k9a s ALA 407 CO 0.44 -1.09 0.77 -2.30 0.00 0.00 0.00 175.76 173.58 1k9a n PRO 408 N 6.23 0.82 -1.69 0.00 -0.02 -1.26 -4.80 135.00 134.27 1k9a n PRO 408 Ca 0.14 0.31 -0.44 0.00 -2.02 0.00 0.00 63.50 61.49 1k9a n PRO 408 Cb 0.44 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 31.98 1k9a n PRO 408 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1k9a n ASP 409 N 0.14 3.58 0.00 2.55 8.00 -1.26 -1.25 116.55 128.31 1k9a n ASP 409 Ca 0.12 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.68 1k9a n ASP 409 Cb 0.45 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 1k9a n ASP 409 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k9a n GLY 410 N 3.78 0.84 3.69 0.44 0.00 -1.26 -4.96 105.19 107.71 1k9a n GLY 410 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1k9a n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9a n PRO 412 N 5.35 2.28 -0.29 0.00 -0.02 -1.26 -4.84 135.00 136.22 1k9a n PRO 412 Ca 0.12 0.82 0.14 0.00 -2.02 0.00 0.00 63.50 62.57 1k9a n PRO 412 Cb 0.45 -2.62 0.40 0.00 -0.02 0.00 0.00 33.50 31.71 1k9a n PRO 412 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1k9a h PRO 413 N 6.36 0.62 -0.72 0.52 0.11 -1.93 0.13 132.00 137.09 1k9a h PRO 413 Ca -0.45 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1k9a h PRO 413 Cb 1.24 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1k9a h PRO 413 CO 0.91 0.41 0.29 0.00 -0.21 0.00 0.00 178.00 179.39 1k9a h ALA 414 N 1.61 1.16 -0.38 -0.75 0.00 -1.90 -0.06 119.26 118.94 1k9a h ALA 414 Ca 0.50 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 1k9a h ALA 414 Cb 0.92 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1k9a h ALA 414 CO -0.25 0.61 -0.33 0.28 0.00 0.00 0.00 179.25 179.55 1k9a h VAL 415 N 1.04 1.28 -0.02 0.00 2.07 -1.35 -2.00 116.25 117.27 1k9a h VAL 415 Ca 0.24 -1.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.21 1k9a h VAL 415 Cb 0.19 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1k9a h VAL 415 CO -0.02 0.50 -0.25 0.22 0.02 0.00 0.00 177.57 178.04 1k9a h TYR 416 N 0.72 0.04 -0.59 1.57 3.20 -0.79 -1.29 116.97 119.83 1k9a h TYR 416 Ca 0.07 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1k9a h TYR 416 Cb 0.90 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 1k9a h TYR 416 CO 0.05 0.29 0.27 -0.44 -1.64 0.00 0.00 178.16 176.68 1k9a h ASP 417 N 0.03 0.79 -0.51 -2.11 3.32 -0.32 -0.91 116.42 116.70 1k9a h ASP 417 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1k9a h ASP 417 Cb 0.46 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1k9a h ASP 417 CO 0.03 0.71 0.33 0.58 -1.72 0.00 0.00 179.24 179.18 1k9a h VAL 418 N 0.81 1.14 0.44 -1.35 2.07 -0.64 -0.84 116.25 117.87 1k9a h VAL 418 Ca 0.20 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1k9a h VAL 418 Cb 0.15 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1k9a h VAL 418 CO -0.02 0.14 -0.46 0.24 0.02 0.00 0.00 177.57 177.48 1k9a h MET 419 N 0.70 -0.89 -0.88 1.57 2.86 -0.73 -1.44 114.93 116.12 1k9a h MET 419 Ca 0.19 0.06 0.16 0.00 -2.06 0.00 0.00 59.70 58.05 1k9a h MET 419 Cb -0.06 0.20 -0.07 0.00 0.06 0.00 0.00 31.60 31.73 1k9a h MET 419 CO -0.04 -0.59 0.57 0.87 1.06 0.00 0.00 176.91 178.78 1k9a h LYS 420 N -0.92 0.57 -0.20 1.72 1.57 -1.07 0.24 116.57 118.49 1k9a h LYS 420 Ca -0.05 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1k9a h LYS 420 Cb 0.81 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1k9a h LYS 420 CO -0.08 0.38 -0.23 -0.97 -0.57 0.00 0.00 179.45 177.98 1k9a h ASN 421 N 0.59 0.35 1.23 0.86 -1.24 -0.43 -1.59 115.58 115.35 1k9a h ASN 421 Ca 0.45 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.36 1k9a h ASN 421 Cb 0.86 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.81 1k9a h ASN 421 CO -0.20 0.59 0.00 0.00 -1.29 0.00 0.00 177.43 176.53 1k9a n TRP 423 N -2.87 2.31 -2.11 0.00 8.01 -0.60 -4.00 117.44 118.18 1k9a n TRP 423 Ca 0.02 -1.02 -0.36 0.00 -1.31 0.00 0.00 57.50 54.83 1k9a n TRP 423 Cb 0.35 -0.63 0.02 0.00 -2.01 0.00 0.00 31.31 29.05 1k9a n TRP 423 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 1k9a s HIS 424 N -2.86 2.50 0.03 -5.99 3.76 -1.22 -4.89 115.29 106.62 1k9a s HIS 424 Ca 0.54 1.52 0.11 0.00 -0.15 0.00 0.00 55.06 57.08 1k9a s HIS 424 Cb 0.42 -3.41 -0.01 0.00 1.11 0.00 0.00 32.58 30.69 1k9a s HIS 424 CO 0.14 -1.97 1.39 -0.07 -0.85 0.00 0.00 174.74 173.39 1k9a h LEU 425 N 1.05 0.00 -8.30 0.89 3.38 -1.95 -3.40 115.31 106.98 1k9a h LEU 425 Ca -0.50 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.90 1k9a h LEU 425 Cb 1.28 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.94 1k9a h LEU 425 CO 0.56 0.75 1.01 -0.62 0.09 0.00 0.00 178.44 180.23 1k9a s ASP 426 N -6.61 6.21 0.26 -0.43 -1.08 -1.26 -4.90 116.67 108.86 1k9a s ASP 426 Ca 0.02 -0.70 -0.12 0.00 -0.52 0.00 0.00 52.55 51.23 1k9a s ASP 426 Cb 0.09 -2.53 0.37 0.00 -1.46 0.00 0.00 42.92 39.39 1k9a s ASP 426 CO 0.78 -1.71 1.56 0.00 0.52 0.00 0.00 175.17 176.32 1k9a h ALA 427 N 9.89 0.47 0.00 3.66 0.00 -1.98 0.33 119.26 131.64 1k9a h ALA 427 Ca -0.22 0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1k9a h ALA 427 Cb 1.05 0.82 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1k9a h ALA 427 CO 1.28 -0.46 0.00 0.00 0.00 0.00 0.00 179.25 180.06 1k9a n ALA 428 N -3.53 1.12 1.09 0.00 0.00 -1.26 -0.99 120.51 116.94 1k9a n ALA 428 Ca 0.13 0.17 0.13 0.00 0.00 0.00 0.00 53.44 53.87 1k9a n ALA 428 Cb 0.46 -1.30 0.38 0.00 0.00 0.00 0.00 19.45 18.99 1k9a n ALA 428 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1k9a n THR 429 N -2.18 0.00 -2.65 0.00 -1.04 0.12 -4.88 114.28 103.65 1k9a n THR 429 Ca -0.01 -0.03 -0.35 0.00 -2.04 0.00 0.00 64.05 61.62 1k9a n THR 429 Cb 0.06 0.09 -0.05 0.00 -1.82 0.00 0.00 70.33 68.60 1k9a n THR 429 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1k9a s ARG 430 N -2.86 4.20 0.71 -2.82 0.52 -0.16 -4.97 118.95 113.57 1k9a s ARG 430 Ca 0.16 1.37 -0.11 0.00 -0.52 0.00 0.00 55.73 56.63 1k9a s ARG 430 Cb 0.18 -2.45 0.02 0.00 0.52 0.00 0.00 34.95 33.23 1k9a s ARG 430 CO 0.61 -0.08 1.07 -1.25 0.02 0.00 0.00 175.30 175.67 1k9a s PRO 431 N -2.67 2.73 0.74 3.54 0.04 -1.26 -5.04 135.00 133.08 1k9a s PRO 431 Ca 0.59 1.05 -0.09 0.00 0.04 0.00 0.00 61.00 62.59 1k9a s PRO 431 Cb -0.18 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.46 1k9a s PRO 431 CO 0.23 -1.27 1.08 0.95 0.04 0.00 0.00 177.00 178.03 1k9a s THR 432 N -2.94 2.34 0.34 1.26 -4.23 -1.26 -4.89 115.64 106.25 1k9a s THR 432 Ca 0.60 -0.09 0.15 0.00 -1.18 0.00 0.00 61.69 61.17 1k9a s THR 432 Cb -0.15 -3.07 0.11 0.00 1.34 0.00 0.00 72.50 70.73 1k9a s THR 432 CO 0.54 -0.08 1.82 -0.26 -0.54 0.00 0.00 174.62 176.10 1k9a h PHE 433 N -0.76 0.00 -0.42 3.99 -1.00 -1.94 -1.95 116.94 114.86 1k9a h PHE 433 Ca -0.45 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.25 1k9a h PHE 433 Cb 1.31 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.85 1k9a h PHE 433 CO 0.35 0.37 -0.06 1.25 -1.61 0.00 0.00 178.31 178.60 1k9a h LEU 434 N 0.00 0.69 -0.71 1.54 6.46 -1.92 -0.31 115.31 121.06 1k9a h LEU 434 Ca -0.00 -0.18 -0.11 0.00 -0.12 0.00 0.00 57.88 57.47 1k9a h LEU 434 Cb 0.70 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.43 1k9a h LEU 434 CO 0.05 0.80 -0.20 1.56 -0.62 0.00 0.00 178.44 180.03 1k9a h GLN 435 N 0.66 0.79 -0.06 1.25 4.20 -1.75 -1.76 115.11 118.44 1k9a h GLN 435 Ca 0.12 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 1k9a h GLN 435 Cb 0.50 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 1k9a h GLN 435 CO 0.03 0.92 0.03 -0.07 -0.67 0.00 0.00 178.83 179.07 1k9a h LEU 436 N 0.69 0.08 -0.30 1.46 3.38 -0.98 -1.30 115.31 118.34 1k9a h LEU 436 Ca 0.10 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1k9a h LEU 436 Cb 0.70 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.36 1k9a h LEU 436 CO 0.05 0.17 -0.16 -0.09 0.09 0.00 0.00 178.44 178.51 1k9a h ARG 437 N -0.01 -0.11 -0.54 1.13 2.43 -0.79 -0.17 114.38 116.32 1k9a h ARG 437 Ca 0.02 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1k9a h ARG 437 Cb 0.11 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1k9a h ARG 437 CO -0.00 -0.07 0.18 0.93 -1.51 0.00 0.00 179.97 179.50 1k9a h GLU 438 N -0.11 0.80 -0.07 0.20 5.08 -1.16 0.18 114.58 119.50 1k9a h GLU 438 Ca 0.16 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1k9a h GLU 438 Cb 0.35 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1k9a h GLU 438 CO -0.38 0.68 -0.02 0.37 -1.00 0.00 0.00 179.01 178.67 1k9a h GLN 439 N 0.78 0.14 -0.28 2.33 5.75 -0.46 0.25 115.11 123.63 1k9a h GLN 439 Ca 0.18 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1k9a h GLN 439 Cb 0.21 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1k9a h GLN 439 CO -0.01 0.47 0.12 -0.07 -2.65 0.00 0.00 178.83 176.69 1k9a h LEU 440 N -0.19 0.34 -0.27 -2.39 3.38 -0.82 0.20 115.31 115.56 1k9a h LEU 440 Ca 0.02 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1k9a h LEU 440 Cb 0.42 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1k9a h LEU 440 CO 0.01 0.30 -0.84 -0.33 0.09 0.00 0.00 178.44 177.67 1k9a h GLU 441 N 0.38 0.42 0.16 1.13 5.08 -0.42 -2.02 114.58 119.30 1k9a h GLU 441 Ca 0.10 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1k9a h GLU 441 Cb 0.07 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1k9a h GLU 441 CO -0.01 1.05 -0.14 1.25 -1.00 0.00 0.00 179.01 180.16 1k9a h HIS 442 N 0.26 -0.36 -0.68 4.33 2.76 0.11 -0.75 115.15 120.82 1k9a h HIS 442 Ca -0.06 0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.25 1k9a h HIS 442 Cb 1.45 0.14 -0.09 0.00 1.55 0.00 0.00 27.41 30.46 1k9a h HIS 442 CO 0.05 -0.21 0.20 0.82 -1.30 0.00 0.00 177.93 177.49 1k9a h ILE 443 N -0.31 0.62 -0.09 6.26 2.04 -0.59 -1.69 117.51 123.75 1k9a h ILE 443 Ca -0.00 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1k9a h ILE 443 Cb 0.29 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1k9a h ILE 443 CO -0.02 0.06 0.04 -0.09 0.00 0.00 0.00 178.15 178.13 1k9a h ARG 444 N 0.32 0.14 -0.84 2.37 2.43 -0.79 -0.56 114.38 117.44 1k9a h ARG 444 Ca 0.37 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.60 1k9a h ARG 444 Cb 0.57 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.04 1k9a h ARG 444 CO -0.43 0.25 0.54 1.15 -1.51 0.00 0.00 179.97 179.98 1k9a h THR 445 N -0.01 0.98 -0.71 0.20 2.02 -0.49 -1.87 112.91 113.03 1k9a h THR 445 Ca 0.03 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1k9a h THR 445 Cb 0.17 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1k9a h THR 445 CO -0.00 0.15 0.00 1.41 0.37 0.00 0.00 175.52 177.45 1k9a n HIS 446 N -4.51 1.04 -3.79 3.16 8.25 -0.70 -4.95 115.22 113.73 1k9a n HIS 446 Ca 0.14 -0.52 -0.29 0.00 -0.26 0.00 0.00 57.72 56.79 1k9a n HIS 446 Cb 0.29 -0.04 0.01 0.00 1.12 0.00 0.00 29.99 31.37 1k9a n HIS 446 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1k9a n GLU 447 N 1.52 -4.51 0.00 -0.41 1.02 -0.34 -4.82 120.64 113.09 1k9a n GLU 447 Ca 0.24 0.54 0.09 0.00 -0.02 0.00 0.00 57.16 58.01 1k9a n GLU 447 Cb 0.66 -5.36 0.45 0.00 -0.02 0.00 0.00 31.44 27.17 1k9a n GLU 447 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1k9a n LEU 448 N -4.36 0.00 0.00 -4.62 4.77 -0.47 -2.28 117.00 110.05 1k9a n LEU 448 Ca 0.03 0.31 0.11 0.00 -0.03 0.00 0.00 56.01 56.43 1k9a n LEU 448 Cb 0.53 -0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1k9a n LEU 448 CO 0.70 -0.12 -0.20 0.00 -1.33 0.00 0.00 177.39 176.44 1k9a n HIS 449 N -1.31 0.07 1.10 -1.77 1.44 -1.26 -4.68 115.22 108.80 1k9a n HIS 449 Ca 0.08 0.02 0.12 0.00 -2.01 0.00 0.00 57.72 55.94 1k9a n HIS 449 Cb 0.16 -0.25 0.18 0.00 0.12 0.00 0.00 29.99 30.20 1k9a n HIS 449 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81