#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b0j s ALA 3 N 0.00 3.44 -0.59 5.13 0.00 -1.26 -5.04 121.76 123.44 1b0j s ALA 3 Ca 0.00 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.32 1b0j s ALA 3 Cb 0.00 -2.50 0.15 0.00 0.00 0.00 0.00 23.12 20.77 1b0j s ALA 3 CO 0.00 -0.50 0.35 0.15 0.00 0.00 0.00 175.76 175.76 1b0j s LYS 4 N -4.78 2.13 -0.15 0.00 1.02 -1.26 -4.96 119.74 111.74 1b0j s LYS 4 Ca 0.49 -2.88 -0.01 0.00 0.02 0.00 0.00 55.97 53.59 1b0j s LYS 4 Cb -0.10 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 1b0j s LYS 4 CO 0.43 -1.18 -0.11 0.08 -0.92 0.00 0.00 175.35 173.66 1b0j s VAL 5 N -0.72 3.17 0.18 3.17 1.01 -1.26 -5.06 120.40 120.90 1b0j s VAL 5 Ca 0.20 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 1b0j s VAL 5 Cb -0.17 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1b0j s VAL 5 CO -0.07 0.50 0.41 0.00 0.00 0.00 0.00 175.10 175.94 1b0j s ALA 6 N 0.59 3.78 0.64 5.51 0.00 -1.26 -1.26 121.76 129.75 1b0j s ALA 6 Ca -0.07 -0.65 0.38 0.00 0.00 0.00 0.00 51.96 51.63 1b0j s ALA 6 Cb -0.15 -2.11 2.18 0.00 0.00 0.00 0.00 23.12 23.04 1b0j s ALA 6 CO 0.03 0.53 2.33 0.52 0.00 0.00 0.00 175.76 179.17 1b0j h MET 7 N 2.39 0.00 -2.17 0.00 2.86 -0.90 -3.45 114.93 113.65 1b0j h MET 7 Ca -0.47 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.37 1b0j h MET 7 Cb 1.18 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.74 1b0j h MET 7 CO 0.70 0.00 0.55 -1.54 1.06 0.00 0.00 176.91 177.68 1b0j s SER 8 N -5.58 -0.17 0.51 1.22 1.04 -1.25 -4.81 113.70 104.66 1b0j s SER 8 Ca -0.05 -0.32 0.34 0.00 0.48 0.00 0.00 55.95 56.40 1b0j s SER 8 Cb 0.14 0.42 1.80 0.00 0.10 0.00 0.00 66.02 68.48 1b0j s SER 8 CO 0.47 -0.77 2.04 0.45 0.98 0.00 0.00 173.24 176.41 1b0j h HIS 9 N 2.00 0.00 0.00 5.02 -0.00 -1.88 -3.03 115.15 117.26 1b0j h HIS 9 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 1b0j h HIS 9 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 1b0j h HIS 9 CO 0.36 0.00 -0.89 1.19 -0.00 0.00 0.00 177.93 178.59 1b0j n PHE 10 N -2.72 0.00 -3.69 2.45 3.72 -1.26 -4.60 117.46 111.35 1b0j n PHE 10 Ca -0.02 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.10 1b0j n PHE 10 Cb 0.09 -0.07 -0.12 0.00 -0.94 0.00 0.00 39.48 38.44 1b0j n PHE 10 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1b0j s GLU 11 N -2.52 1.51 0.00 -1.08 8.01 -1.14 -4.96 118.70 118.51 1b0j s GLU 11 Ca 0.03 -2.38 0.29 0.00 0.01 0.00 0.00 54.97 52.92 1b0j s GLU 11 Cb 0.11 -2.43 1.63 0.00 -4.31 0.00 0.00 34.13 29.13 1b0j s GLU 11 CO 0.61 -1.24 2.04 -0.35 0.01 0.00 0.00 175.26 176.33 1b0j n PRO 12 N 2.98 0.75 0.00 0.39 -0.04 -1.25 -3.43 135.00 134.41 1b0j n PRO 12 Ca 0.16 0.01 0.03 0.00 -0.04 0.00 0.00 63.50 63.66 1b0j n PRO 12 Cb 0.37 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.36 1b0j n PRO 12 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1b0j n HIS 13 N -1.09 0.00 -3.71 0.54 1.44 -1.26 -4.76 115.22 106.38 1b0j n HIS 13 Ca 0.19 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.53 1b0j n HIS 13 Cb 0.14 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.12 1b0j n HIS 13 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1b0j s GLU 14 N -0.53 3.30 0.08 -1.40 0.41 -1.22 -5.06 118.70 114.28 1b0j s GLU 14 Ca 0.07 -0.73 0.04 0.00 -0.41 0.00 0.00 54.97 53.94 1b0j s GLU 14 Cb 0.05 -3.45 -0.04 0.00 -1.78 0.00 0.00 34.13 28.92 1b0j s GLU 14 CO 0.08 -0.39 0.03 0.71 -0.49 0.00 0.00 175.26 175.21 1b0j s TYR 15 N 1.57 3.07 0.05 1.61 2.02 -1.26 -0.48 117.35 123.93 1b0j s TYR 15 Ca 0.04 0.02 -0.31 0.00 -0.37 0.00 0.00 57.07 56.45 1b0j s TYR 15 Cb -0.17 -1.57 -0.07 0.00 -0.40 0.00 0.00 41.96 39.75 1b0j s TYR 15 CO 0.04 0.50 1.48 0.42 -1.57 0.00 0.00 175.55 176.42 1b0j s ILE 16 N -1.34 3.38 -0.96 2.71 1.01 -0.39 -4.82 121.20 120.80 1b0j s ILE 16 Ca 0.27 0.86 -0.01 0.00 0.00 0.00 0.00 60.65 61.77 1b0j s ILE 16 Cb -0.12 -3.55 0.30 0.00 0.01 0.00 0.00 42.46 39.10 1b0j s ILE 16 CO 0.20 0.02 1.34 0.54 0.00 0.00 0.00 174.94 177.03 1b0j n ARG 17 N 5.05 4.11 0.28 2.79 5.12 -1.26 -4.79 116.66 127.95 1b0j n ARG 17 Ca 0.14 -4.61 0.17 0.00 -1.93 0.00 0.00 57.85 51.61 1b0j n ARG 17 Cb 0.42 -2.44 0.69 0.00 -1.16 0.00 0.00 32.46 29.97 1b0j n ARG 17 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1b0j h TYR 18 N 4.92 0.00 -0.33 -1.55 0.05 -1.98 -2.46 116.97 115.61 1b0j h TYR 18 Ca 0.23 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.84 1b0j h TYR 18 Cb 0.59 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.32 1b0j h TYR 18 CO 0.98 0.02 -0.46 0.38 -1.05 0.00 0.00 178.16 178.02 1b0j h ASP 19 N 0.00 0.96 -0.01 3.88 2.03 -2.00 -1.95 116.42 119.34 1b0j h ASP 19 Ca -0.00 -0.47 -0.16 0.00 -0.73 0.00 0.00 57.03 55.67 1b0j h ASP 19 Cb 0.51 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.73 1b0j h ASP 19 CO 0.00 1.26 -0.54 -0.07 -1.03 0.00 0.00 179.24 178.86 1b0j h LEU 20 N 0.70 0.65 0.11 0.15 -0.00 -1.92 -2.05 115.31 112.95 1b0j h LEU 20 Ca 0.04 -0.35 0.01 0.00 -0.00 0.00 0.00 57.88 57.58 1b0j h LEU 20 Cb 1.06 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.51 1b0j h LEU 20 CO 0.11 1.07 -0.17 0.25 -0.00 0.00 0.00 178.44 179.70 1b0j h LEU 21 N 0.45 -0.46 0.21 1.67 5.85 -1.34 -2.73 115.31 118.97 1b0j h LEU 21 Ca 0.01 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1b0j h LEU 21 Cb 1.09 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 1b0j h LEU 21 CO 0.10 -0.24 -0.35 -0.08 -0.34 0.00 0.00 178.44 177.53 1b0j h GLU 22 N -0.33 -0.61 -1.00 1.25 4.81 -1.35 -0.05 114.58 117.28 1b0j h GLU 22 Ca 0.02 0.04 0.23 0.00 -0.13 0.00 0.00 59.36 59.53 1b0j h GLU 22 Cb 0.34 0.14 -0.12 0.00 0.63 0.00 0.00 28.75 29.74 1b0j h GLU 22 CO -0.08 -0.41 0.60 -0.22 -0.73 0.00 0.00 179.01 178.17 1b0j h LYS 23 N -0.64 0.60 0.10 1.92 3.64 -1.36 -1.32 116.57 119.51 1b0j h LYS 23 Ca 0.01 -0.04 -0.31 0.00 -1.27 0.00 0.00 60.65 59.04 1b0j h LYS 23 Cb 0.63 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1b0j h LYS 23 CO -0.15 0.40 -1.62 -0.91 -2.27 0.00 0.00 179.45 174.90 1b0j h ASN 24 N 0.62 0.32 -0.70 4.20 2.35 -1.14 -2.70 115.58 118.53 1b0j h ASN 24 Ca 0.63 -0.50 0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1b0j h ASN 24 Cb 1.16 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.38 1b0j h ASN 24 CO -0.46 1.43 0.44 0.40 -1.65 0.00 0.00 177.43 177.60 1b0j h ILE 25 N 0.06 1.11 -0.26 2.81 2.04 -0.64 -2.36 117.51 120.28 1b0j h ILE 25 Ca -0.27 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1b0j h ILE 25 Cb 2.01 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1b0j h ILE 25 CO 0.14 0.16 0.10 -0.78 0.00 0.00 0.00 178.15 177.76 1b0j h ASP 26 N 0.87 0.36 -0.98 1.72 3.58 -1.30 -0.09 116.42 120.59 1b0j h ASP 26 Ca 0.28 -0.18 0.10 0.00 0.42 0.00 0.00 57.03 57.65 1b0j h ASP 26 Cb -0.00 -0.09 -0.08 0.00 1.72 0.00 0.00 39.33 40.88 1b0j h ASP 26 CO -0.10 0.44 0.62 0.40 -2.88 0.00 0.00 179.24 177.72 1b0j h ILE 27 N 0.26 0.99 -0.16 2.25 2.04 -1.27 -2.37 117.51 119.24 1b0j h ILE 27 Ca 0.08 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 1b0j h ILE 27 Cb 0.20 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1b0j h ILE 27 CO -0.01 0.19 -0.19 0.58 0.00 0.00 0.00 178.15 178.72 1b0j h VAL 28 N 1.04 1.34 0.00 1.67 2.07 -1.10 -3.00 116.25 118.27 1b0j h VAL 28 Ca 0.46 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1b0j h VAL 28 Cb 0.35 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1b0j h VAL 28 CO -0.23 0.41 -0.09 0.08 0.02 0.00 0.00 177.57 177.76 1b0j h ARG 29 N 0.06 0.00 -0.15 1.57 0.11 -0.84 -1.51 114.38 113.62 1b0j h ARG 29 Ca 0.02 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.02 1b0j h ARG 29 Cb 0.74 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.81 1b0j h ARG 29 CO 0.05 0.09 -0.29 0.87 0.10 0.00 0.00 179.97 180.79 1b0j h LYS 30 N 0.00 0.29 0.02 0.08 6.56 -1.33 0.01 116.57 122.19 1b0j h LYS 30 Ca -0.00 -0.11 -0.20 0.00 -1.06 0.00 0.00 60.65 59.28 1b0j h LYS 30 Cb 0.59 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.21 1b0j h LYS 30 CO 0.01 0.56 -0.93 0.00 -2.06 0.00 0.00 179.45 177.03 1b0j h ARG 31 N 0.25 0.11 0.00 3.15 3.08 -1.15 -3.37 114.38 116.45 1b0j h ARG 31 Ca 0.04 -0.14 -0.31 0.00 0.07 0.00 0.00 59.98 59.64 1b0j h ARG 31 Cb 0.65 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.68 1b0j h ARG 31 CO 0.05 0.95 -2.30 1.28 -1.07 0.00 0.00 179.97 178.88 1b0j n LEU 32 N -3.55 0.00 -3.78 3.04 4.77 -0.92 -5.04 117.00 111.52 1b0j n LEU 32 Ca -0.02 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.62 1b0j n LEU 32 Cb 0.85 0.42 0.03 0.00 -2.33 0.00 0.00 43.42 42.39 1b0j n LEU 32 CO 0.47 0.42 -0.10 0.59 -1.33 0.00 0.00 177.39 177.44 1b0j n ASN 33 N -2.66 -5.06 -3.50 -1.43 3.02 -0.02 -4.99 115.26 100.61 1b0j n ASN 33 Ca -0.28 -1.03 -0.09 0.00 -0.03 0.00 0.00 54.58 53.15 1b0j n ASN 33 Cb 1.06 -2.68 -0.02 0.00 -0.61 0.00 0.00 39.78 37.53 1b0j n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b0j s ARG 34 N -6.05 0.94 0.41 3.52 1.70 -1.26 -5.14 118.95 113.07 1b0j s ARG 34 Ca 0.37 -0.36 -0.26 0.00 -0.47 0.00 0.00 55.73 55.01 1b0j s ARG 34 Cb -0.16 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.55 1b0j s ARG 34 CO 0.89 -0.41 1.39 -2.14 -1.08 0.00 0.00 175.30 173.95 1b0j s PRO 35 N -3.26 3.90 -0.05 3.89 0.02 -1.26 -4.98 135.00 133.26 1b0j s PRO 35 Ca 0.05 2.35 0.01 0.00 0.02 0.00 0.00 61.00 63.43 1b0j s PRO 35 Cb -0.01 -2.77 -0.03 0.00 0.02 0.00 0.00 34.50 31.71 1b0j s PRO 35 CO -0.09 -0.62 -0.06 -0.51 -0.33 0.00 0.00 177.00 175.39 1b0j s LEU 36 N -2.45 3.23 0.00 -5.54 1.43 -1.26 -4.60 118.68 109.48 1b0j s LEU 36 Ca 0.57 -0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 53.49 1b0j s LEU 36 Cb -0.42 -1.75 0.21 0.00 0.03 0.00 0.00 46.19 44.26 1b0j s LEU 36 CO 0.55 0.34 1.05 0.35 0.23 0.00 0.00 176.35 178.87 1b0j n THR 37 N 2.00 0.00 -0.05 5.49 -2.24 -1.26 -2.44 114.28 115.78 1b0j n THR 37 Ca -0.17 -0.67 -0.12 0.00 -2.27 0.00 0.00 64.05 60.82 1b0j n THR 37 Cb 0.53 -1.45 -0.06 0.00 -2.10 0.00 0.00 70.33 67.25 1b0j n THR 37 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1b0j h LEU 38 N 0.00 0.29 -0.83 3.22 5.85 -1.92 -2.63 115.31 119.30 1b0j h LEU 38 Ca -0.36 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.05 1b0j h LEU 38 Cb 1.02 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1b0j h LEU 38 CO 0.24 0.55 0.54 0.77 -0.34 0.00 0.00 178.44 180.21 1b0j h SER 39 N 0.02 0.92 -0.94 1.25 4.64 -1.95 -2.43 113.55 115.07 1b0j h SER 39 Ca 0.04 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1b0j h SER 39 Cb 0.41 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.23 1b0j h SER 39 CO 0.01 0.66 0.56 -0.33 -0.87 0.00 0.00 176.83 176.85 1b0j h GLU 40 N 1.09 1.28 0.18 4.77 5.08 -1.92 -1.71 114.58 123.35 1b0j h GLU 40 Ca 0.31 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1b0j h GLU 40 Cb -0.08 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 28.91 1b0j h GLU 40 CO -0.08 0.91 -0.09 0.87 -1.00 0.00 0.00 179.01 179.62 1b0j h LYS 41 N 1.30 -0.24 -0.32 2.33 1.57 -1.11 0.14 116.57 120.25 1b0j h LYS 41 Ca 0.34 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.10 1b0j h LYS 41 Cb -0.04 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1b0j h LYS 41 CO -0.06 -0.05 0.07 0.82 -0.57 0.00 0.00 179.45 179.65 1b0j h ILE 42 N -0.38 1.23 0.13 1.86 2.04 -1.47 0.20 117.51 121.13 1b0j h ILE 42 Ca -0.02 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 1b0j h ILE 42 Cb 0.29 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1b0j h ILE 42 CO 0.04 0.26 -0.06 0.58 0.00 0.00 0.00 178.15 178.96 1b0j h VAL 43 N 0.35 0.99 0.00 1.67 2.07 -1.31 -2.31 116.25 117.71 1b0j h VAL 43 Ca 0.10 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 1b0j h VAL 43 Cb 0.32 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1b0j h VAL 43 CO 0.00 0.12 -0.43 1.88 0.02 0.00 0.00 177.57 179.17 1b0j h TYR 44 N -0.43 0.00 -0.30 1.57 0.05 -0.76 -0.56 116.97 116.54 1b0j h TYR 44 Ca -0.02 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.82 1b0j h TYR 44 Cb 0.34 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 1b0j h TYR 44 CO 0.01 0.43 0.21 0.78 -1.05 0.00 0.00 178.16 178.53 1b0j h GLY 45 N 1.47 0.19 -3.26 3.88 0.00 -0.41 -2.78 103.07 102.16 1b0j h GLY 45 Ca -0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 47.33 47.09 1b0j h GLY 45 CO 0.06 0.05 0.22 1.42 0.00 0.00 0.00 176.54 178.28 1b0j n HIS 46 N -4.48 1.99 -2.79 5.60 8.25 -0.22 -4.67 115.22 118.90 1b0j n HIS 46 Ca 0.03 -0.99 -0.36 0.00 -0.26 0.00 0.00 57.72 56.15 1b0j n HIS 46 Cb 0.27 -0.59 -0.07 0.00 1.12 0.00 0.00 29.99 30.72 1b0j n HIS 46 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1b0j s LEU 47 N -2.37 4.20 0.21 2.41 1.43 -1.05 -1.45 118.68 122.06 1b0j s LEU 47 Ca 0.44 1.79 -0.03 0.00 -1.03 0.00 0.00 54.13 55.30 1b0j s LEU 47 Cb 0.35 -4.21 0.19 0.00 0.03 0.00 0.00 46.19 42.56 1b0j s LEU 47 CO 0.11 -0.17 1.59 -0.78 0.23 0.00 0.00 176.35 177.32 1b0j h ASP 48 N 2.71 0.65 -2.86 2.29 3.58 -1.40 -3.39 116.42 118.01 1b0j h ASP 48 Ca -0.48 -0.28 -0.60 0.00 0.42 0.00 0.00 57.03 56.10 1b0j h ASP 48 Cb 1.19 -0.18 -0.39 0.00 1.72 0.00 0.00 39.33 41.66 1b0j h ASP 48 CO 0.64 0.97 -0.82 -0.62 -2.88 0.00 0.00 179.24 176.52 1b0j s ASP 49 N -6.84 2.94 0.34 2.28 2.15 -1.26 -5.00 116.67 111.28 1b0j s ASP 49 Ca -0.08 -2.66 0.13 0.00 0.43 0.00 0.00 52.55 50.38 1b0j s ASP 49 Cb 0.12 -0.70 0.61 0.00 -0.30 0.00 0.00 42.92 42.65 1b0j s ASP 49 CO 0.83 -0.25 1.74 1.55 -0.17 0.00 0.00 175.17 178.88 1b0j h PRO 50 N 6.47 0.00 0.00 4.34 0.13 -1.92 0.06 132.00 141.08 1b0j h PRO 50 Ca 0.09 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.09 1b0j h PRO 50 Cb 0.93 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 1b0j h PRO 50 CO 0.39 0.46 -0.64 0.00 -0.23 0.00 0.00 178.00 177.97 1b0j h ALA 51 N 1.54 0.87 0.00 -0.56 0.00 -1.94 -3.38 119.26 115.79 1b0j h ALA 51 Ca -0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1b0j h ALA 51 Cb 0.84 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1b0j h ALA 51 CO 0.06 0.80 -1.57 0.09 0.00 0.00 0.00 179.25 178.64 1b0j n ASN 52 N -3.67 2.21 -4.68 0.00 3.02 -1.03 -5.00 115.26 106.11 1b0j n ASN 52 Ca -0.01 0.00 -0.47 0.00 -0.03 0.00 0.00 54.58 54.07 1b0j n ASN 52 Cb 0.66 1.52 -0.04 0.00 -0.61 0.00 0.00 39.78 41.31 1b0j n ASN 52 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1b0j n GLN 53 N -1.95 2.18 -2.41 3.52 -0.06 -0.02 -4.96 117.38 113.69 1b0j n GLN 53 Ca -0.03 0.79 -0.43 0.00 -2.00 0.00 0.00 57.00 55.34 1b0j n GLN 53 Cb 0.34 -2.61 -0.02 0.00 -4.06 0.00 0.00 30.24 23.89 1b0j n GLN 53 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1b0j s GLU 54 N 2.71 4.28 -0.17 3.69 2.02 -1.26 -5.00 118.70 124.97 1b0j s GLU 54 Ca 0.87 1.71 0.00 0.00 0.02 0.00 0.00 54.97 57.57 1b0j s GLU 54 Cb -0.68 -3.68 0.01 0.00 0.10 0.00 0.00 34.13 29.87 1b0j s GLU 54 CO 0.45 -0.61 -0.16 0.42 0.02 0.00 0.00 175.26 175.39 1b0j s ILE 55 N 2.97 2.47 -0.22 -1.63 1.01 -1.26 -4.72 121.20 119.82 1b0j s ILE 55 Ca 0.56 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 1b0j s ILE 55 Cb -0.24 -2.05 0.11 0.00 0.01 0.00 0.00 42.46 40.29 1b0j s ILE 55 CO 0.19 0.51 0.41 -1.61 0.00 0.00 0.00 174.94 174.44 1b0j s GLU 56 N 1.09 0.34 0.12 2.79 0.41 -1.26 -4.99 118.70 117.21 1b0j s GLU 56 Ca -0.00 0.83 -0.31 0.00 -0.41 0.00 0.00 54.97 55.08 1b0j s GLU 56 Cb -0.14 0.01 -0.09 0.00 -1.78 0.00 0.00 34.13 32.13 1b0j s GLU 56 CO -0.05 -0.43 1.53 1.03 -0.49 0.00 0.00 175.26 176.85 1b0j s ARG 57 N 2.60 4.24 0.00 1.61 0.52 -1.26 -1.66 118.95 124.99 1b0j s ARG 57 Ca 0.05 2.26 0.00 0.00 -0.52 0.00 0.00 55.73 57.52 1b0j s ARG 57 Cb -0.14 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.04 1b0j s ARG 57 CO -0.14 -0.59 0.00 0.41 0.02 0.00 0.00 175.30 175.00 1b0j n GLY 58 N 3.73 1.81 0.93 -3.53 0.00 0.27 -4.87 105.19 103.53 1b0j n GLY 58 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 1b0j n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b0j n LYS 59 N -2.00 0.06 -2.65 1.61 5.02 -0.67 -4.91 118.16 114.62 1b0j n LYS 59 Ca 0.00 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.02 1b0j n LYS 59 Cb 0.00 -0.59 -0.02 0.00 -0.02 0.00 0.00 35.03 34.40 1b0j n LYS 59 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1b0j s THR 60 N -2.06 4.80 -0.26 -0.18 -4.23 -0.96 -4.86 115.64 107.89 1b0j s THR 60 Ca -0.04 0.55 -0.10 0.00 -1.18 0.00 0.00 61.69 60.92 1b0j s THR 60 Cb 0.01 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 70.02 1b0j s THR 60 CO 0.05 -0.70 0.17 -0.31 -0.54 0.00 0.00 174.62 173.28 1b0j s TYR 61 N -2.59 3.24 0.02 3.99 2.02 -1.26 -0.69 117.35 122.08 1b0j s TYR 61 Ca 0.51 0.11 -0.20 0.00 -0.37 0.00 0.00 57.07 57.12 1b0j s TYR 61 Cb -0.10 -2.33 -0.06 0.00 -0.40 0.00 0.00 41.96 39.07 1b0j s TYR 61 CO 0.38 -0.09 0.59 -0.51 -1.57 0.00 0.00 175.55 174.35 1b0j s LEU 62 N 1.48 4.45 -0.43 -1.29 1.43 0.13 -4.86 118.68 119.60 1b0j s LEU 62 Ca 0.07 1.20 -0.16 0.00 -1.03 0.00 0.00 54.13 54.22 1b0j s LEU 62 Cb -0.15 -2.93 0.03 0.00 0.03 0.00 0.00 46.19 43.17 1b0j s LEU 62 CO 0.08 0.15 0.36 -0.13 0.23 0.00 0.00 176.35 177.04 1b0j s ARG 63 N -0.47 3.00 0.17 1.70 0.52 -1.26 -0.90 118.95 121.71 1b0j s ARG 63 Ca 0.31 -1.02 0.05 0.00 -0.52 0.00 0.00 55.73 54.55 1b0j s ARG 63 Cb -0.19 -4.01 -0.04 0.00 0.52 0.00 0.00 34.95 31.23 1b0j s ARG 63 CO 0.18 -0.84 0.14 -0.51 0.02 0.00 0.00 175.30 174.28 1b0j s LEU 64 N 1.81 3.80 -0.55 2.53 1.43 0.20 -1.06 118.68 126.83 1b0j s LEU 64 Ca 0.07 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1b0j s LEU 64 Cb -0.20 -2.40 0.14 0.00 0.03 0.00 0.00 46.19 43.77 1b0j s LEU 64 CO 0.10 0.06 0.35 -0.13 0.23 0.00 0.00 176.35 176.97 1b0j s ARG 65 N -3.14 2.33 0.67 1.70 1.81 -0.53 -1.67 118.95 120.12 1b0j s ARG 65 Ca 0.31 -2.35 -0.16 0.00 -1.72 0.00 0.00 55.73 51.80 1b0j s ARG 65 Cb -0.10 -3.63 0.01 0.00 -0.45 0.00 0.00 34.95 30.78 1b0j s ARG 65 CO 0.23 -1.13 1.20 -2.14 -0.68 0.00 0.00 175.30 172.78 1b0j s PRO 66 N 0.23 2.50 0.03 3.54 0.02 -1.26 -4.95 135.00 135.11 1b0j s PRO 66 Ca 0.15 1.76 -0.03 0.00 0.02 0.00 0.00 61.00 62.90 1b0j s PRO 66 Cb -0.21 -1.88 -0.28 0.00 0.02 0.00 0.00 34.50 32.15 1b0j s PRO 66 CO -0.03 -1.55 0.95 -0.44 -0.33 0.00 0.00 177.00 175.59 1b0j h ASP 67 N 0.17 0.38 -5.30 2.53 3.32 -1.29 -3.49 116.42 112.75 1b0j h ASP 67 Ca -0.49 -0.48 -0.09 0.00 0.02 0.00 0.00 57.03 55.99 1b0j h ASP 67 Cb 1.29 -0.12 -0.10 0.00 0.22 0.00 0.00 39.33 40.62 1b0j h ASP 67 CO 0.52 1.40 -0.19 0.00 -1.72 0.00 0.00 179.24 179.25 1b0j s ARG 68 N -2.63 1.52 -0.05 3.56 1.70 -1.24 -4.35 118.95 117.46 1b0j s ARG 68 Ca -0.07 -1.33 0.04 0.00 -0.47 0.00 0.00 55.73 53.91 1b0j s ARG 68 Cb 0.07 0.44 -0.00 0.00 -0.57 0.00 0.00 34.95 34.89 1b0j s ARG 68 CO 0.86 -0.62 -0.19 0.08 -1.08 0.00 0.00 175.30 174.35 1b0j s VAL 69 N -3.98 1.59 0.05 4.99 1.01 -0.12 -3.07 120.40 120.86 1b0j s VAL 69 Ca 0.25 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1b0j s VAL 69 Cb 0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1b0j s VAL 69 CO 0.10 0.45 -0.20 0.00 0.00 0.00 0.00 175.10 175.45 1b0j s ALA 70 N 0.08 1.69 0.05 5.51 0.00 -0.88 -1.87 121.76 126.34 1b0j s ALA 70 Ca -0.06 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.87 1b0j s ALA 70 Cb -0.13 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1b0j s ALA 70 CO 0.03 0.37 -0.06 -1.64 0.00 0.00 0.00 175.76 174.46 1b0j s MET 71 N -1.24 0.54 0.30 0.00 -1.94 0.34 -2.24 119.30 115.05 1b0j s MET 71 Ca 0.07 -0.87 0.09 0.00 -1.71 0.00 0.00 55.69 53.26 1b0j s MET 71 Cb -0.09 -0.15 -0.04 0.00 2.01 0.00 0.00 34.83 36.56 1b0j s MET 71 CO 0.02 0.00 0.10 1.14 -0.01 0.00 0.00 175.02 176.27 1b0j s GLN 72 N -2.15 2.44 0.38 2.03 1.03 -1.26 -0.94 119.66 121.20 1b0j s GLN 72 Ca -0.06 -1.41 0.05 0.00 0.04 0.00 0.00 55.36 53.98 1b0j s GLN 72 Cb -0.06 -2.24 0.77 0.00 0.03 0.00 0.00 33.01 31.51 1b0j s GLN 72 CO -0.02 0.25 2.03 0.38 -2.54 0.00 0.00 175.29 175.40 1b0j h ASP 73 N 1.66 0.58 0.80 12.60 3.04 -0.32 -0.84 116.42 133.95 1b0j h ASP 73 Ca -0.45 -0.01 -0.04 0.00 -3.24 0.00 0.00 57.03 53.29 1b0j h ASP 73 Cb 1.25 -0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 39.39 1b0j h ASP 73 CO 0.62 0.42 -0.18 0.00 -2.04 0.00 0.00 179.24 178.05 1b0j h ALA 74 N 1.68 1.07 -0.00 4.15 0.00 -1.95 -3.26 119.26 120.95 1b0j h ALA 74 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1b0j h ALA 74 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1b0j h ALA 74 CO -0.05 0.23 -0.28 0.25 0.00 0.00 0.00 179.25 179.41 1b0j n THR 75 N -3.41 0.00 0.23 0.00 -2.24 -0.94 -4.63 114.28 103.29 1b0j n THR 75 Ca -0.00 -0.36 0.10 0.00 -2.27 0.00 0.00 64.05 61.51 1b0j n THR 75 Cb 0.38 1.01 0.55 0.00 -2.10 0.00 0.00 70.33 70.17 1b0j n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b0j h ALA 76 N 0.96 1.19 0.67 6.98 0.00 -1.20 -2.95 119.26 124.90 1b0j h ALA 76 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1b0j h ALA 76 Cb 0.17 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1b0j h ALA 76 CO 0.00 0.27 -0.32 1.96 0.00 0.00 0.00 179.25 181.16 1b0j h GLN 77 N 0.00 -0.87 -0.58 0.00 4.20 -1.82 0.36 115.11 116.40 1b0j h GLN 77 Ca -0.00 0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 1b0j h GLN 77 Cb 0.56 0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 1b0j h GLN 77 CO 0.03 -0.54 0.09 1.98 -0.67 0.00 0.00 178.83 179.71 1b0j h MET 78 N -1.10 0.94 -0.63 1.46 4.05 -1.71 0.16 114.93 118.11 1b0j h MET 78 Ca -0.09 -0.23 0.00 0.00 -0.28 0.00 0.00 59.70 59.10 1b0j h MET 78 Cb 0.73 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.38 1b0j h MET 78 CO 0.15 0.88 0.40 0.00 0.23 0.00 0.00 176.91 178.57 1b0j h ALA 79 N 1.20 0.80 -0.34 0.39 0.00 -1.49 -1.34 119.26 118.49 1b0j h ALA 79 Ca 0.18 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1b0j h ALA 79 Cb 0.40 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1b0j h ALA 79 CO 0.01 0.25 -0.43 0.52 0.00 0.00 0.00 179.25 179.59 1b0j h MET 80 N 0.85 0.86 -0.40 0.00 2.07 -0.59 -0.93 114.93 116.80 1b0j h MET 80 Ca 0.23 -0.48 -0.00 0.00 -2.07 0.00 0.00 59.70 57.38 1b0j h MET 80 Cb -0.07 0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 29.67 1b0j h MET 80 CO -0.05 1.12 0.25 -0.07 1.07 0.00 0.00 176.91 179.23 1b0j h LEU 81 N 0.69 0.46 -0.41 1.22 3.38 -0.48 0.55 115.31 120.73 1b0j h LEU 81 Ca 0.05 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 1b0j h LEU 81 Cb 1.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1b0j h LEU 81 CO 0.10 0.35 -0.78 1.56 0.09 0.00 0.00 178.44 179.77 1b0j h GLN 82 N 0.54 0.24 -0.57 1.13 4.20 -1.06 -2.69 115.11 116.90 1b0j h GLN 82 Ca 0.14 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 1b0j h GLN 82 Cb -0.03 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1b0j h GLN 82 CO -0.03 0.90 0.14 0.35 -0.67 0.00 0.00 178.83 179.52 1b0j h PHE 83 N 0.15 0.97 -0.94 2.96 3.57 -0.16 -2.87 116.94 120.62 1b0j h PHE 83 Ca -0.03 -0.12 0.02 0.00 3.53 0.00 0.00 57.97 61.37 1b0j h PHE 83 Cb 1.36 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.78 1b0j h PHE 83 CO 0.03 0.83 0.62 0.82 -2.23 0.00 0.00 178.31 178.38 1b0j h ILE 84 N 0.83 1.21 0.00 1.41 2.04 -0.91 -2.28 117.51 119.81 1b0j h ILE 84 Ca 0.18 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1b0j h ILE 84 Cb 0.35 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1b0j h ILE 84 CO 0.00 0.23 -0.21 0.28 0.00 0.00 0.00 178.15 178.45 1b0j h SER 85 N 1.24 0.00 -0.45 1.72 0.02 -1.27 -2.99 113.55 111.82 1b0j h SER 85 Ca 0.36 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.26 1b0j h SER 85 Cb -0.09 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1b0j h SER 85 CO -0.09 0.21 0.14 0.77 -1.14 0.00 0.00 176.83 176.72 1b0j h SER 86 N 0.00 0.70 0.00 3.07 4.64 -1.21 -3.47 113.55 117.28 1b0j h SER 86 Ca -0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1b0j h SER 86 Cb 0.53 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1b0j h SER 86 CO 0.03 0.68 0.00 0.61 -0.87 0.00 0.00 176.83 177.28 1b0j n GLY 87 N -0.94 0.62 3.85 -0.77 0.00 -1.13 -4.95 105.19 101.86 1b0j n GLY 87 Ca 0.04 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 1b0j n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b0j s LEU 88 N 0.00 4.43 0.13 0.99 1.43 -1.26 -5.03 118.68 119.38 1b0j s LEU 88 Ca 0.00 0.87 0.06 0.00 -1.03 0.00 0.00 54.13 54.03 1b0j s LEU 88 Cb 0.00 -2.65 -0.15 0.00 0.03 0.00 0.00 46.19 43.42 1b0j s LEU 88 CO 0.00 0.29 1.30 1.55 0.23 0.00 0.00 176.35 179.73 1b0j h PRO 89 N 4.45 0.04 -3.18 1.29 0.13 -1.97 -3.48 132.00 129.29 1b0j h PRO 89 Ca -0.51 -0.07 -0.16 0.00 -0.87 0.00 0.00 66.00 64.39 1b0j h PRO 89 Cb 1.21 0.02 -0.25 0.00 0.13 0.00 0.00 31.00 32.12 1b0j h PRO 89 CO 0.62 0.98 -0.43 0.21 -0.23 0.00 0.00 178.00 179.16 1b0j s LYS 90 N -2.83 0.34 0.42 0.86 2.47 -1.26 -4.52 119.74 115.22 1b0j s LYS 90 Ca -0.00 0.20 -0.24 0.00 -1.56 0.00 0.00 55.97 54.37 1b0j s LYS 90 Cb 0.10 0.16 -0.08 0.00 -1.46 0.00 0.00 37.83 36.55 1b0j s LYS 90 CO 0.82 -0.06 1.15 0.14 0.16 0.00 0.00 175.35 177.56 1b0j s VAL 91 N -0.19 3.23 -0.48 4.02 -7.23 -0.66 -4.88 120.40 114.21 1b0j s VAL 91 Ca -0.03 0.97 0.23 0.00 -1.81 0.00 0.00 61.98 61.34 1b0j s VAL 91 Cb -0.03 -3.52 -0.00 0.00 0.56 0.00 0.00 36.38 33.39 1b0j s VAL 91 CO 0.01 0.04 1.15 0.00 -0.31 0.00 0.00 175.10 175.99 1b0j n ALA 92 N -0.17 2.86 -2.38 1.32 0.00 0.21 -4.94 120.51 117.41 1b0j n ALA 92 Ca 0.06 -0.27 -0.20 0.00 0.00 0.00 0.00 53.44 53.02 1b0j n ALA 92 Cb 0.48 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.72 1b0j n ALA 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1b0j s VAL 93 N -3.25 1.73 -0.06 0.00 -7.23 -1.26 -4.98 120.40 105.36 1b0j s VAL 93 Ca 0.03 -2.19 -0.37 0.00 -1.81 0.00 0.00 61.98 57.65 1b0j s VAL 93 Cb 0.12 -2.22 -0.15 0.00 0.56 0.00 0.00 36.38 34.69 1b0j s VAL 93 CO 0.76 -0.47 1.63 -2.65 -0.31 0.00 0.00 175.10 174.07 1b0j n PRO 94 N -0.47 1.56 -4.24 4.82 -0.01 -1.26 -4.80 135.00 130.59 1b0j n PRO 94 Ca -0.07 0.57 -0.18 0.00 -0.01 0.00 0.00 63.50 63.81 1b0j n PRO 94 Cb 0.62 -2.29 -0.13 0.00 -0.01 0.00 0.00 33.50 31.68 1b0j n PRO 94 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 175.50 174.37 1b0j s SER 95 N 2.35 1.29 0.03 2.55 0.01 -1.26 -0.94 113.70 117.73 1b0j s SER 95 Ca 0.90 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 57.75 1b0j s SER 95 Cb -0.88 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 65.26 1b0j s SER 95 CO 0.52 -0.02 -0.07 0.42 0.41 0.00 0.00 173.24 174.50 1b0j s THR 96 N -0.88 0.45 -0.05 1.44 -4.23 -0.78 -2.37 115.64 109.23 1b0j s THR 96 Ca -0.01 -0.95 0.06 0.00 -1.18 0.00 0.00 61.69 59.61 1b0j s THR 96 Cb -0.07 -0.52 -0.02 0.00 1.34 0.00 0.00 72.50 73.23 1b0j s THR 96 CO 0.01 -0.34 -0.23 -0.63 -0.54 0.00 0.00 174.62 172.88 1b0j s ILE 97 N -1.24 2.23 -0.10 2.99 1.01 -0.19 -0.50 121.20 125.39 1b0j s ILE 97 Ca -0.10 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.56 1b0j s ILE 97 Cb -0.09 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.58 1b0j s ILE 97 CO 0.00 0.57 -0.16 -1.00 0.00 0.00 0.00 174.94 174.35 1b0j s HIS 98 N -0.36 1.98 -0.91 3.97 3.76 -0.11 -0.55 115.29 123.07 1b0j s HIS 98 Ca 0.03 -0.87 -0.09 0.00 -0.15 0.00 0.00 55.06 53.98 1b0j s HIS 98 Cb -0.12 -1.41 0.23 0.00 1.11 0.00 0.00 32.58 32.39 1b0j s HIS 98 CO 0.02 -0.42 0.84 0.00 -0.85 0.00 0.00 174.74 174.32 1b0j n ASP 100 N 3.18 3.33 0.07 0.00 5.75 -1.26 -4.12 116.55 123.50 1b0j n ASP 100 Ca 0.18 -0.12 0.11 0.00 -0.01 0.00 0.00 54.79 54.95 1b0j n ASP 100 Cb 0.41 0.91 0.00 0.00 -1.03 0.00 0.00 41.12 41.42 1b0j n ASP 100 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1b0j n HIS 101 N -1.24 0.69 -0.88 2.11 8.25 -1.26 -1.87 115.22 121.02 1b0j n HIS 101 Ca 0.00 0.20 0.07 0.00 -0.26 0.00 0.00 57.72 57.73 1b0j n HIS 101 Cb 0.00 -0.79 0.41 0.00 1.12 0.00 0.00 29.99 30.73 1b0j n HIS 101 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1b0j n LEU 102 N -2.45 5.70 -4.22 2.41 4.77 -1.26 -4.67 117.00 117.27 1b0j n LEU 102 Ca 0.00 -2.89 -0.42 0.00 -0.03 0.00 0.00 56.01 52.67 1b0j n LEU 102 Cb 0.52 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 1b0j n LEU 102 CO 0.40 0.65 0.09 -0.63 -1.33 0.00 0.00 177.39 176.56 1b0j s ILE 103 N -2.70 4.47 0.49 -0.08 1.01 -1.26 -4.91 121.20 118.22 1b0j s ILE 103 Ca 0.55 -2.08 -0.22 0.00 0.00 0.00 0.00 60.65 58.89 1b0j s ILE 103 Cb 0.41 -3.89 -0.06 0.00 0.01 0.00 0.00 42.46 38.92 1b0j s ILE 103 CO 0.17 -0.85 1.22 -0.70 0.00 0.00 0.00 174.94 174.78 1b0j s GLU 104 N 0.93 3.55 -0.14 2.79 2.12 -1.26 -4.29 118.70 122.39 1b0j s GLU 104 Ca 0.10 1.91 -0.04 0.00 0.36 0.00 0.00 54.97 57.30 1b0j s GLU 104 Cb -0.23 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.78 1b0j s GLU 104 CO -0.02 -0.77 0.01 0.00 -0.54 0.00 0.00 175.26 173.94 1b0j s ALA 105 N -1.47 3.23 0.30 6.30 0.00 0.96 -4.85 121.76 126.23 1b0j s ALA 105 Ca 0.66 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1b0j s ALA 105 Cb -0.32 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1b0j s ALA 105 CO 0.39 0.32 0.00 0.94 0.00 0.00 0.00 175.76 177.41 1b0j n GLN 106 N 3.09 0.00 0.00 0.00 7.27 -1.26 -0.34 117.38 126.14 1b0j n GLN 106 Ca -0.18 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.00 1b0j n GLN 106 Cb 0.53 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 33.05 1b0j n GLN 106 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1b0j n LEU 107 N -3.12 0.29 0.00 1.69 4.32 -1.26 -5.02 117.00 113.90 1b0j n LEU 107 Ca 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 1b0j n LEU 107 Cb 0.00 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.79 1b0j n LEU 107 CO 0.00 0.03 0.00 0.61 -1.22 0.00 0.00 177.39 176.81 1b0j n GLY 108 N 1.30 2.27 0.00 -0.72 0.00 -1.26 -4.86 105.19 101.91 1b0j n GLY 108 Ca -0.02 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1b0j n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b0j n GLY 109 N 1.90 0.00 0.29 -0.02 0.00 -0.02 -1.73 105.19 105.61 1b0j n GLY 109 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1b0j n GLY 109 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1b0j h GLU 110 N 0.00 0.98 0.28 1.61 4.11 -1.93 -2.98 114.58 116.67 1b0j h GLU 110 Ca 0.00 -0.24 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1b0j h GLU 110 Cb 0.00 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1b0j h GLU 110 CO 0.00 0.90 -0.39 0.87 0.07 0.00 0.00 179.01 180.47 1b0j h LYS 111 N 0.90 -0.70 -0.84 1.06 1.57 -1.89 -2.01 116.57 114.66 1b0j h LYS 111 Ca 0.19 0.05 0.08 0.00 -1.87 0.00 0.00 60.65 59.09 1b0j h LYS 111 Cb 0.37 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.78 1b0j h LYS 111 CO 0.00 -0.47 0.54 -0.44 -0.57 0.00 0.00 179.45 178.52 1b0j h ASP 112 N -0.73 0.78 -0.51 0.86 3.32 -1.37 -1.99 116.42 116.78 1b0j h ASP 112 Ca -0.01 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1b0j h ASP 112 Cb 0.69 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1b0j h ASP 112 CO -0.13 0.49 0.08 0.25 -1.72 0.00 0.00 179.24 178.21 1b0j h LEU 113 N 0.88 0.81 -0.29 1.55 5.85 -1.42 -0.42 115.31 122.26 1b0j h LEU 113 Ca 0.37 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1b0j h LEU 113 Cb 0.30 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1b0j h LEU 113 CO -0.14 0.86 0.14 0.03 -0.34 0.00 0.00 178.44 178.99 1b0j h ARG 114 N 0.72 0.42 -0.55 1.25 3.08 -0.88 -0.63 114.38 117.80 1b0j h ARG 114 Ca 0.15 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1b0j h ARG 114 Cb 0.40 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1b0j h ARG 114 CO 0.01 0.41 0.25 -0.09 -1.07 0.00 0.00 179.97 179.48 1b0j h ARG 115 N 0.34 0.80 -0.15 0.04 2.43 -1.35 -2.78 114.38 113.70 1b0j h ARG 115 Ca 0.10 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1b0j h ARG 115 Cb 0.13 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1b0j h ARG 115 CO -0.01 0.67 -0.12 0.00 -1.51 0.00 0.00 179.97 179.00 1b0j h ALA 116 N 1.09 1.52 0.00 2.80 0.00 -0.82 -1.68 119.26 122.17 1b0j h ALA 116 Ca 0.19 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1b0j h ALA 116 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1b0j h ALA 116 CO -0.02 0.34 -0.45 0.87 0.00 0.00 0.00 179.25 179.99 1b0j h LYS 117 N 0.23 0.00 0.20 0.00 1.57 -0.84 -1.79 116.57 115.94 1b0j h LYS 117 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1b0j h LYS 117 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1b0j h LYS 117 CO 0.02 0.45 -0.10 0.22 -0.57 0.00 0.00 179.45 179.47 1b0j h ASP 118 N 0.00 -0.23 -1.00 0.86 3.58 -1.31 -3.11 116.42 115.20 1b0j h ASP 118 Ca -0.00 0.01 0.22 0.00 0.42 0.00 0.00 57.03 57.68 1b0j h ASP 118 Cb 0.85 0.06 -0.12 0.00 1.72 0.00 0.00 39.33 41.84 1b0j h ASP 118 CO 0.06 0.03 0.60 0.40 -2.88 0.00 0.00 179.24 177.45 1b0j h ILE 119 N -0.65 0.60 -0.62 2.25 2.04 -1.35 -3.01 117.51 116.77 1b0j h ILE 119 Ca -0.03 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1b0j h ILE 119 Cb 0.21 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1b0j h ILE 119 CO 0.05 0.12 0.00 0.59 0.00 0.00 0.00 178.15 178.90 1b0j n ASN 120 N -4.84 4.25 -0.33 1.72 3.02 -0.67 -4.64 115.26 113.77 1b0j n ASN 120 Ca 0.26 -2.28 0.19 0.00 -0.03 0.00 0.00 54.58 52.71 1b0j n ASN 120 Cb 0.68 -0.51 0.44 0.00 -0.61 0.00 0.00 39.78 39.78 1b0j n ASN 120 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1b0j h GLN 121 N 3.78 0.51 0.22 3.52 -0.00 -1.45 -1.32 115.11 120.37 1b0j h GLN 121 Ca 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 1b0j h GLN 121 Cb 1.22 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 28.59 1b0j h GLN 121 CO 0.13 0.34 -0.10 1.49 0.00 0.00 0.00 178.83 180.68 1b0j h GLU 122 N 0.53 -0.28 -0.01 1.69 4.81 -1.86 -0.86 114.58 118.59 1b0j h GLU 122 Ca 0.60 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.85 1b0j h GLU 122 Cb 1.28 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 1b0j h GLU 122 CO -0.36 -0.15 0.00 0.28 -0.73 0.00 0.00 179.01 178.06 1b0j h VAL 123 N -0.34 1.19 -0.46 0.32 2.07 -1.70 -1.77 116.25 115.56 1b0j h VAL 123 Ca -0.03 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1b0j h VAL 123 Cb 0.26 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1b0j h VAL 123 CO 0.05 0.15 0.25 1.88 0.02 0.00 0.00 177.57 179.91 1b0j h TYR 124 N -0.21 0.61 -0.55 1.57 0.05 -1.30 -0.76 116.97 116.37 1b0j h TYR 124 Ca 0.00 -0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 1b0j h TYR 124 Cb 0.24 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 1b0j h TYR 124 CO 0.01 0.43 -0.02 -0.97 -1.05 0.00 0.00 178.16 176.56 1b0j h ASN 125 N 0.64 0.97 -0.27 3.88 -1.24 -1.01 -1.54 115.58 117.01 1b0j h ASN 125 Ca 0.16 -0.32 -0.04 0.00 0.71 0.00 0.00 56.30 56.82 1b0j h ASN 125 Cb 0.03 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.80 1b0j h ASN 125 CO -0.03 1.05 0.02 0.15 -1.29 0.00 0.00 177.43 177.33 1b0j h PHE 126 N 0.87 0.50 -0.72 0.67 3.57 -0.67 -2.80 116.94 118.35 1b0j h PHE 126 Ca 0.15 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1b0j h PHE 126 Cb 0.57 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1b0j h PHE 126 CO 0.04 0.60 0.23 -0.07 -2.23 0.00 0.00 178.31 176.88 1b0j h LEU 127 N 0.25 1.04 -1.14 0.59 3.38 -1.10 -0.54 115.31 117.79 1b0j h LEU 127 Ca 0.08 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1b0j h LEU 127 Cb 0.39 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1b0j h LEU 127 CO 0.01 0.96 0.15 0.00 0.09 0.00 0.00 178.44 179.65 1b0j h ALA 128 N 1.18 1.32 0.07 1.53 0.00 -1.33 0.34 119.26 122.36 1b0j h ALA 128 Ca 0.23 -0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.72 1b0j h ALA 128 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1b0j h ALA 128 CO -0.01 0.49 -1.17 1.15 0.00 0.00 0.00 179.25 179.71 1b0j h THR 129 N 0.74 1.55 -0.17 0.00 2.02 -1.27 -0.64 112.91 115.14 1b0j h THR 129 Ca 0.17 -3.20 -0.18 0.00 0.77 0.00 0.00 66.41 63.98 1b0j h THR 129 Cb 0.23 2.87 -0.00 0.00 -1.74 0.00 0.00 68.15 69.51 1b0j h THR 129 CO -0.01 0.91 -0.62 0.00 0.37 0.00 0.00 175.52 176.18 1b0j h ALA 130 N 0.78 0.61 0.15 6.16 0.00 -1.00 -2.58 119.26 123.38 1b0j h ALA 130 Ca -0.09 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1b0j h ALA 130 Cb 1.89 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 1b0j h ALA 130 CO 0.16 0.70 -0.11 0.78 0.00 0.00 0.00 179.25 180.79 1b0j h GLY 131 N 1.02 -0.65 -0.19 0.00 0.00 -0.87 -0.87 103.07 101.51 1b0j h GLY 131 Ca -0.01 0.28 0.24 0.00 0.00 0.00 0.00 47.33 47.84 1b0j h GLY 131 CO 0.12 -0.23 0.49 0.00 0.00 0.00 0.00 176.54 176.92 1b0j h ALA 132 N -1.66 1.62 -0.20 3.60 0.00 -1.19 -0.64 119.26 120.79 1b0j h ALA 132 Ca -0.02 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1b0j h ALA 132 Cb 0.21 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1b0j h ALA 132 CO 0.01 -0.32 -0.31 -0.22 0.00 0.00 0.00 179.25 178.41 1b0j h LYS 133 N 0.48 0.56 -0.00 0.00 3.64 -1.33 -3.33 116.57 116.59 1b0j h LYS 133 Ca 0.61 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1b0j h LYS 133 Cb 1.16 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1b0j h LYS 133 CO -0.51 0.94 -0.78 0.66 -2.27 0.00 0.00 179.45 177.49 1b0j n TYR 134 N -4.33 0.00 -0.80 1.91 4.01 -0.34 -4.86 117.16 112.74 1b0j n TYR 134 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1b0j n TYR 134 Cb 0.48 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 1b0j n TYR 134 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1b0j n GLY 135 N 1.48 0.51 3.24 2.72 0.00 -0.31 -1.66 105.19 111.17 1b0j n GLY 135 Ca 0.05 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1b0j n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b0j s VAL 136 N -1.83 2.20 0.47 1.61 1.01 -0.82 -4.75 120.40 118.30 1b0j s VAL 136 Ca 0.00 -0.97 -0.22 0.00 0.00 0.00 0.00 61.98 60.79 1b0j s VAL 136 Cb 0.00 -1.85 -0.07 0.00 0.00 0.00 0.00 36.38 34.45 1b0j s VAL 136 CO 0.00 0.55 1.16 -0.83 0.00 0.00 0.00 175.10 175.98 1b0j s GLY 137 N 0.38 2.75 -0.10 4.51 0.00 -1.00 -4.30 107.32 109.57 1b0j s GLY 137 Ca -0.17 0.91 -0.01 0.00 0.00 0.00 0.00 44.72 45.45 1b0j s GLY 137 CO 0.08 1.35 -0.06 -0.12 0.00 0.00 0.00 173.10 174.34 1b0j s PHE 138 N -1.59 1.31 -0.23 1.90 5.36 -0.75 -1.03 117.98 122.96 1b0j s PHE 138 Ca 0.65 -0.62 -0.14 0.00 -0.96 0.00 0.00 56.93 55.87 1b0j s PHE 138 Cb -0.28 -1.14 -0.04 0.00 -0.34 0.00 0.00 43.02 41.22 1b0j s PHE 138 CO 0.33 -0.47 0.30 -1.58 -1.46 0.00 0.00 175.22 172.34 1b0j s TRP 139 N 1.74 3.33 0.75 10.12 0.52 0.29 -0.82 118.94 134.86 1b0j s TRP 139 Ca 0.05 0.43 -0.11 0.00 0.02 0.00 0.00 56.10 56.48 1b0j s TRP 139 Cb -0.13 -2.44 0.04 0.00 -1.15 0.00 0.00 33.47 29.80 1b0j s TRP 139 CO -0.07 -0.02 1.08 1.03 0.02 0.00 0.00 176.95 178.98 1b0j s ARG 140 N 1.35 2.50 0.27 4.98 0.52 -0.63 -2.49 118.95 125.45 1b0j s ARG 140 Ca 0.14 0.80 -0.31 0.00 -0.52 0.00 0.00 55.73 55.85 1b0j s ARG 140 Cb -0.14 -1.95 -0.12 0.00 0.52 0.00 0.00 34.95 33.25 1b0j s ARG 140 CO 0.07 -1.37 1.58 -0.35 0.02 0.00 0.00 175.30 175.25 1b0j n PRO 141 N -3.29 2.59 0.00 3.54 -0.04 -1.26 -1.91 135.00 134.62 1b0j n PRO 141 Ca 0.07 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.45 1b0j n PRO 141 Cb 0.55 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1b0j n PRO 141 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b0j n GLY 142 N 2.41 2.98 0.21 0.55 0.00 -1.26 -4.97 105.19 105.10 1b0j n GLY 142 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 1b0j n GLY 142 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1b0j h SER 143 N 0.08 0.48 -2.98 1.61 4.64 -1.63 -3.39 113.55 112.36 1b0j h SER 143 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1b0j h SER 143 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1b0j h SER 143 CO 0.00 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 1b0j n GLY 144 N -1.25 2.76 3.70 -0.77 0.00 -1.24 -0.78 105.19 107.62 1b0j n GLY 144 Ca 0.04 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1b0j n GLY 144 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b0j s ILE 145 N -1.95 3.59 0.36 -0.61 1.01 -0.73 -4.56 121.20 118.31 1b0j s ILE 145 Ca 0.00 1.09 0.17 0.00 0.00 0.00 0.00 60.65 61.91 1b0j s ILE 145 Cb 0.00 -3.70 0.35 0.00 0.01 0.00 0.00 42.46 39.12 1b0j s ILE 145 CO 0.00 0.05 1.60 -0.29 0.00 0.00 0.00 174.94 176.30 1b0j h ILE 146 N 4.57 0.09 0.00 2.92 2.10 -1.93 -1.74 117.51 123.53 1b0j h ILE 146 Ca -0.40 -0.03 -0.19 0.00 1.08 0.00 0.00 64.86 65.31 1b0j h ILE 146 Cb 1.20 -0.01 -0.03 0.00 -1.09 0.00 0.00 36.82 36.89 1b0j h ILE 146 CO 0.87 0.02 -0.90 0.45 -1.08 0.00 0.00 178.15 177.51 1b0j h HIS 147 N 0.10 0.00 -0.09 2.19 3.86 -1.94 -1.53 115.15 117.74 1b0j h HIS 147 Ca 0.79 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.97 1b0j h HIS 147 Cb 1.99 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.46 1b0j h HIS 147 CO -0.05 0.90 -0.08 0.37 0.86 0.00 0.00 177.93 179.93 1b0j h GLN 148 N 0.00 0.22 -0.92 2.45 5.75 -1.61 -1.81 115.11 119.19 1b0j h GLN 148 Ca -0.01 -0.11 0.08 0.00 -0.15 0.00 0.00 58.65 58.46 1b0j h GLN 148 Cb 1.60 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 30.08 1b0j h GLN 148 CO 0.12 0.63 0.59 0.82 -2.65 0.00 0.00 178.83 178.34 1b0j h ILE 149 N -0.18 1.01 -0.16 2.39 1.08 -1.39 -1.69 117.51 118.58 1b0j h ILE 149 Ca 0.02 -0.34 -0.04 0.00 -0.39 0.00 0.00 64.86 64.11 1b0j h ILE 149 Cb 0.59 -0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 34.28 1b0j h ILE 149 CO 0.02 0.18 -0.05 0.40 -0.69 0.00 0.00 178.15 178.01 1b0j h ILE 150 N 0.98 1.30 0.00 -0.67 2.04 -1.16 -2.12 117.51 117.88 1b0j h ILE 150 Ca 0.41 -1.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.18 1b0j h ILE 150 Cb 0.31 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1b0j h ILE 150 CO -0.17 0.30 -0.32 0.25 0.00 0.00 0.00 178.15 178.21 1b0j h LEU 151 N -0.00 0.00 -0.29 1.44 5.85 -1.16 0.30 115.31 121.45 1b0j h LEU 151 Ca 0.04 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 1b0j h LEU 151 Cb 0.49 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1b0j h LEU 151 CO 0.02 0.32 -0.58 -0.33 -0.34 0.00 0.00 178.44 177.53 1b0j h GLU 152 N 0.00 0.00 0.00 1.25 5.08 -1.26 -3.42 114.58 116.23 1b0j h GLU 152 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1b0j h GLU 152 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1b0j h GLU 152 CO 0.04 0.58 -0.49 0.09 -1.00 0.00 0.00 179.01 178.23 1b0j n ASN 153 N -3.36 2.43 -0.00 1.42 3.02 -0.80 -4.92 115.26 113.04 1b0j n ASN 153 Ca 0.01 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.57 1b0j n ASN 153 Cb 0.71 0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 40.16 1b0j n ASN 153 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1b0j n TYR 154 N -1.11 0.00 -3.28 3.10 4.01 1.00 -4.68 117.16 116.20 1b0j n TYR 154 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 1b0j n TYR 154 Cb 0.19 -0.05 -0.06 0.00 -0.31 0.00 0.00 39.34 39.11 1b0j n TYR 154 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b0j s ALA 155 N -1.93 3.47 0.04 -0.72 0.00 -0.84 -5.01 121.76 116.76 1b0j s ALA 155 Ca -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 51.96 51.78 1b0j s ALA 155 Cb 0.02 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 20.45 1b0j s ALA 155 CO 0.12 0.02 0.07 1.52 0.00 0.00 0.00 175.76 177.50 1b0j s TYR 156 N 0.51 0.24 -0.24 0.00 -0.85 -1.26 -4.95 117.35 110.80 1b0j s TYR 156 Ca 0.28 -0.57 -0.24 0.00 -0.52 0.00 0.00 57.07 56.01 1b0j s TYR 156 Cb -0.16 -0.17 -0.11 0.00 0.38 0.00 0.00 41.96 41.90 1b0j s TYR 156 CO 0.12 -0.35 0.82 -2.30 -1.52 0.00 0.00 175.55 172.31 1b0j n PRO 157 N 0.76 0.00 -0.52 -3.49 -0.02 0.28 -2.59 135.00 129.42 1b0j n PRO 157 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1b0j n PRO 157 Cb 0.58 -0.79 0.00 0.00 -0.02 0.00 0.00 33.50 33.27 1b0j n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b0j n GLY 158 N 1.98 0.95 3.80 -1.23 0.00 -0.37 -4.85 105.19 105.46 1b0j n GLY 158 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1b0j n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b0j s VAL 159 N -3.12 3.94 -0.28 1.61 0.11 -1.07 -4.84 120.40 116.75 1b0j s VAL 159 Ca 0.00 1.25 0.02 0.00 -2.93 0.00 0.00 61.98 60.33 1b0j s VAL 159 Cb 0.00 -3.53 0.07 0.00 -1.53 0.00 0.00 36.38 31.38 1b0j s VAL 159 CO 0.00 -0.22 -0.06 -0.22 -3.33 0.00 0.00 175.10 171.27 1b0j s LEU 160 N -3.26 3.78 -0.04 2.54 2.96 -1.26 0.24 118.68 123.65 1b0j s LEU 160 Ca 0.64 -1.53 0.05 0.00 -0.22 0.00 0.00 54.13 53.07 1b0j s LEU 160 Cb -0.15 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 1b0j s LEU 160 CO 0.19 -0.24 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.58 1b0j s LEU 161 N 1.09 1.97 0.17 -0.68 0.20 -0.69 -0.64 118.68 120.09 1b0j s LEU 161 Ca -0.05 -0.37 0.09 0.00 0.69 0.00 0.00 54.13 54.49 1b0j s LEU 161 Cb -0.20 -1.03 -0.04 0.00 -0.43 0.00 0.00 46.19 44.49 1b0j s LEU 161 CO -0.05 0.19 -0.12 0.27 -0.29 0.00 0.00 176.35 176.35 1b0j s ILE 162 N -0.13 3.09 -0.09 6.68 -4.36 -1.18 -1.04 121.20 124.17 1b0j s ILE 162 Ca -0.00 -1.64 -0.16 0.00 -0.26 0.00 0.00 60.65 58.59 1b0j s ILE 162 Cb -0.11 -2.50 0.04 0.00 1.25 0.00 0.00 42.46 41.14 1b0j s ILE 162 CO 0.01 -0.07 0.39 -0.83 0.24 0.00 0.00 174.94 174.69 1b0j s GLY 163 N -2.68 -0.27 -1.37 6.27 0.00 -0.76 -2.07 107.32 106.44 1b0j s GLY 163 Ca 0.23 0.84 -0.15 0.00 0.00 0.00 0.00 44.72 45.64 1b0j s GLY 163 CO 0.14 0.64 2.22 -1.30 0.00 0.00 0.00 173.10 174.79 1b0j n THR 164 N 2.04 3.26 -3.65 0.90 -2.24 -0.95 -1.33 114.28 112.31 1b0j n THR 164 Ca -0.17 -2.79 0.00 0.00 -2.27 0.00 0.00 64.05 58.82 1b0j n THR 164 Cb 0.57 -2.57 -0.06 0.00 -2.10 0.00 0.00 70.33 66.16 1b0j n THR 164 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1b0j s ASP 165 N 3.40 -0.19 0.58 3.42 2.15 -1.25 -4.47 116.67 120.31 1b0j s ASP 165 Ca 0.49 0.31 0.36 0.00 0.43 0.00 0.00 52.55 54.14 1b0j s ASP 165 Cb 0.14 0.98 1.74 0.00 -0.30 0.00 0.00 42.92 45.49 1b0j s ASP 165 CO -0.06 -0.05 2.13 0.77 -0.17 0.00 0.00 175.17 177.79 1b0j h SER 166 N 5.15 0.00 -0.24 -0.34 4.64 -1.88 -2.43 113.55 118.45 1b0j h SER 166 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1b0j h SER 166 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1b0j h SER 166 CO 0.22 0.03 0.00 1.41 -0.87 0.00 0.00 176.83 177.62 1b0j n HIS 167 N -3.21 0.79 0.18 4.77 8.25 -1.26 -4.43 115.22 120.31 1b0j n HIS 167 Ca -0.01 -0.28 0.15 0.00 -0.26 0.00 0.00 57.72 57.31 1b0j n HIS 167 Cb 0.21 -0.23 0.74 0.00 1.12 0.00 0.00 29.99 31.83 1b0j n HIS 167 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1b0j h THR 168 N 1.63 0.73 0.00 1.59 2.02 -1.76 -2.57 112.91 114.56 1b0j h THR 168 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1b0j h THR 168 Cb 1.01 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1b0j h THR 168 CO 0.17 0.00 0.66 -0.65 0.37 0.00 0.00 175.52 176.07 1b0j h PRO 169 N 0.00 0.00 -1.40 6.66 0.11 -1.73 -2.64 132.00 133.00 1b0j h PRO 169 Ca 0.09 0.00 0.42 0.00 0.11 0.00 0.00 66.00 66.62 1b0j h PRO 169 Cb 0.40 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.43 1b0j h PRO 169 CO -0.00 0.00 0.97 -0.97 -0.21 0.00 0.00 178.00 177.79 1b0j h ASN 170 N 0.00 0.14 0.49 -2.05 -1.24 -1.67 0.25 115.58 111.50 1b0j h ASN 170 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.06 1b0j h ASN 170 Cb 1.31 0.04 0.00 0.00 0.73 0.00 0.00 38.32 40.40 1b0j h ASN 170 CO 0.00 -0.04 0.00 1.23 -1.29 0.00 0.00 177.43 177.33 1b0j h GLY 171 N 0.08 0.00 2.00 1.57 0.00 -1.76 -2.72 103.07 102.25 1b0j h GLY 171 Ca 0.74 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 48.07 1b0j h GLY 171 CO -0.18 0.00 -0.00 -1.33 0.00 0.00 0.00 176.54 175.03 1b0j h GLY 172 N 1.42 0.00 2.00 4.60 0.00 -1.08 -2.03 103.07 107.98 1b0j h GLY 172 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1b0j h GLY 172 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.21 1b0j h GLY 173 N 0.16 0.00 -1.03 4.60 0.00 -1.67 -2.58 103.07 102.56 1b0j h GLY 173 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1b0j h GLY 173 CO 0.00 0.00 -0.29 -0.10 0.00 0.00 0.00 176.54 176.15 1b0j n LEU 174 N -2.77 2.97 -0.33 3.11 7.94 -0.76 -4.63 117.00 122.52 1b0j n LEU 174 Ca -0.01 -3.67 -0.04 0.00 -1.11 0.00 0.00 56.01 51.17 1b0j n LEU 174 Cb 0.12 -0.53 -0.02 0.00 0.53 0.00 0.00 43.42 43.52 1b0j n LEU 174 CO 0.18 1.20 -0.04 0.61 -1.11 0.00 0.00 177.39 178.24 1b0j n GLY 175 N -1.16 0.71 3.91 -3.96 0.00 -0.99 -0.56 105.19 103.14 1b0j n GLY 175 Ca 0.21 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 1b0j n GLY 175 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b0j s GLY 176 N -2.72 1.47 -0.58 -0.02 0.00 -1.24 -1.23 107.32 103.00 1b0j s GLY 176 Ca 0.00 -1.43 -0.19 0.00 0.00 0.00 0.00 44.72 43.10 1b0j s GLY 176 CO 0.00 -1.41 0.70 -0.42 0.00 0.00 0.00 173.10 171.97 1b0j s ILE 177 N -2.14 4.81 -0.28 0.90 -1.09 0.14 -4.06 121.20 119.48 1b0j s ILE 177 Ca 0.38 -0.87 -0.08 0.00 -2.23 0.00 0.00 60.65 57.85 1b0j s ILE 177 Cb -0.08 -4.46 -0.01 0.00 -1.58 0.00 0.00 42.46 36.32 1b0j s ILE 177 CO 0.28 -1.08 0.09 0.00 -1.23 0.00 0.00 174.94 173.00 1b0j s ILE 179 N 1.58 1.78 0.16 0.00 1.01 -0.21 -2.79 121.20 122.73 1b0j s ILE 179 Ca 0.05 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 1b0j s ILE 179 Cb -0.16 -1.53 -0.07 0.00 0.01 0.00 0.00 42.46 40.70 1b0j s ILE 179 CO 0.04 0.50 1.20 -0.83 0.00 0.00 0.00 174.94 175.85 1b0j s GLY 180 N 0.15 2.61 0.24 6.18 0.00 -1.26 -1.84 107.32 113.40 1b0j s GLY 180 Ca -0.10 0.92 0.01 0.00 0.00 0.00 0.00 44.72 45.55 1b0j s GLY 180 CO 0.05 1.89 0.14 -1.34 0.00 0.00 0.00 173.10 173.85 1b0j s VAL 181 N 0.20 0.17 0.18 1.40 -7.23 -0.44 -4.88 120.40 109.81 1b0j s VAL 181 Ca 0.54 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.67 1b0j s VAL 181 Cb -0.32 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 1b0j s VAL 181 CO 0.35 0.00 0.41 -0.83 -0.31 0.00 0.00 175.10 174.72 1b0j s GLY 182 N -3.25 2.06 0.29 2.32 0.00 -1.26 -3.89 107.32 103.59 1b0j s GLY 182 Ca 0.38 -0.62 0.09 0.00 0.00 0.00 0.00 44.72 44.57 1b0j s GLY 182 CO 0.15 -0.54 1.37 0.61 0.00 0.00 0.00 173.10 174.68 1b0j n GLY 183 N -0.27 -0.96 0.22 0.20 0.00 -1.26 -0.77 105.19 102.36 1b0j n GLY 183 Ca -0.03 0.79 0.10 0.00 0.00 0.00 0.00 46.02 46.88 1b0j n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b0j h ALA 184 N 1.74 1.05 -0.21 4.61 0.00 -1.94 -1.63 119.26 122.88 1b0j h ALA 184 Ca 0.62 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 55.22 1b0j h ALA 184 Cb 1.45 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1b0j h ALA 184 CO -0.76 0.28 -0.28 -0.44 0.00 0.00 0.00 179.25 178.05 1b0j h ASP 185 N 0.00 0.61 -0.75 0.00 3.32 -1.35 -2.89 116.42 115.36 1b0j h ASP 185 Ca -0.00 -0.51 -0.06 0.00 0.02 0.00 0.00 57.03 56.48 1b0j h ASP 185 Cb 0.70 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 1b0j h ASP 185 CO 0.03 1.00 0.24 0.00 -1.72 0.00 0.00 179.24 178.79 1b0j h ALA 186 N 0.63 1.00 -0.32 3.45 0.00 -1.38 -2.63 119.26 120.00 1b0j h ALA 186 Ca 0.02 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1b0j h ALA 186 Cb 0.86 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1b0j h ALA 186 CO 0.07 0.67 -0.05 0.28 0.00 0.00 0.00 179.25 180.21 1b0j h VAL 187 N 1.12 0.70 -0.77 0.00 2.07 -1.32 0.90 116.25 118.95 1b0j h VAL 187 Ca 0.24 -0.01 0.16 0.00 0.82 0.00 0.00 66.70 67.91 1b0j h VAL 187 Cb 0.30 0.67 -0.10 0.00 -1.52 0.00 0.00 31.29 30.64 1b0j h VAL 187 CO -0.01 0.01 0.29 0.44 0.02 0.00 0.00 177.57 178.32 1b0j h ASP 188 N 0.03 0.23 0.28 0.57 3.32 -1.25 0.16 116.42 119.76 1b0j h ASP 188 Ca 0.16 0.12 -0.26 0.00 0.02 0.00 0.00 57.03 57.07 1b0j h ASP 188 Cb 0.23 0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.91 1b0j h ASP 188 CO -0.31 0.06 -1.08 0.58 -1.72 0.00 0.00 179.24 176.77 1b0j h VAL 189 N 0.40 1.37 -0.04 -1.35 2.07 -1.33 -1.61 116.25 115.75 1b0j h VAL 189 Ca 0.44 -2.52 -0.04 0.00 0.82 0.00 0.00 66.70 65.39 1b0j h VAL 189 Cb 0.71 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 1b0j h VAL 189 CO -0.45 0.76 -0.18 0.24 0.02 0.00 0.00 177.57 177.96 1b0j h MET 190 N 0.24 0.06 0.00 1.57 2.86 -0.26 -2.39 114.93 117.02 1b0j h MET 190 Ca -0.12 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1b0j h MET 190 Cb 1.74 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.40 1b0j h MET 190 CO 0.20 0.25 0.00 0.00 1.06 0.00 0.00 176.91 178.42 1b0j n ALA 191 N -2.50 2.21 -0.84 6.32 0.00 0.50 -0.62 120.51 125.59 1b0j n ALA 191 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1b0j n ALA 191 Cb 0.26 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1b0j n ALA 191 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b0j n GLY 192 N 1.18 0.50 3.95 0.00 0.00 -0.90 -4.88 105.19 105.04 1b0j n GLY 192 Ca 0.07 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 1b0j n GLY 192 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1b0j s ILE 193 N -2.00 4.63 0.40 -0.61 -4.36 -0.65 -5.03 121.20 113.59 1b0j s ILE 193 Ca 0.00 -1.08 -0.27 0.00 -0.26 0.00 0.00 60.65 59.04 1b0j s ILE 193 Cb 0.00 -3.60 -0.09 0.00 1.25 0.00 0.00 42.46 40.02 1b0j s ILE 193 CO 0.00 -0.27 1.36 -2.84 0.24 0.00 0.00 174.94 173.44 1b0j s PRO 194 N -4.02 3.98 -0.13 0.37 0.02 -1.26 -4.38 135.00 129.58 1b0j s PRO 194 Ca 0.38 2.30 -0.17 0.00 0.02 0.00 0.00 61.00 63.53 1b0j s PRO 194 Cb -0.09 -2.81 -0.04 0.00 0.02 0.00 0.00 34.50 31.58 1b0j s PRO 194 CO 0.29 -0.53 0.41 -0.46 -0.33 0.00 0.00 177.00 176.38 1b0j s TRP 195 N -1.21 3.50 -0.10 6.54 -0.00 -0.67 -4.87 118.94 122.13 1b0j s TRP 195 Ca 0.56 0.79 -0.10 0.00 -0.00 0.00 0.00 56.10 57.35 1b0j s TRP 195 Cb -0.41 -2.47 -0.05 0.00 -0.00 0.00 0.00 33.47 30.54 1b0j s TRP 195 CO 0.54 0.21 0.23 -1.21 -0.00 0.00 0.00 176.95 176.71 1b0j s GLU 196 N 0.52 3.75 -0.03 5.86 2.02 -1.26 -0.63 118.70 128.93 1b0j s GLU 196 Ca 0.23 0.03 0.03 0.00 0.02 0.00 0.00 54.97 55.28 1b0j s GLU 196 Cb -0.14 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.84 1b0j s GLU 196 CO 0.08 0.63 -0.10 -1.17 0.02 0.00 0.00 175.26 174.73 1b0j s LEU 197 N -0.70 1.78 0.15 1.80 2.96 -0.08 -4.94 118.68 119.65 1b0j s LEU 197 Ca 0.17 -0.21 -0.31 0.00 -0.22 0.00 0.00 54.13 53.56 1b0j s LEU 197 Cb -0.13 -0.61 -0.08 0.00 0.50 0.00 0.00 46.19 45.87 1b0j s LEU 197 CO 0.06 0.07 1.38 -0.75 -1.32 0.00 0.00 176.35 175.79 1b0j s LYS 198 N 0.22 4.33 -0.04 1.98 2.47 -1.26 0.18 119.74 127.63 1b0j s LYS 198 Ca -0.04 2.10 -0.32 0.00 -1.56 0.00 0.00 55.97 56.15 1b0j s LYS 198 Cb -0.09 -3.22 -0.10 0.00 -1.46 0.00 0.00 37.83 32.95 1b0j s LYS 198 CO 0.01 -0.40 1.93 0.00 0.16 0.00 0.00 175.35 177.05 1b0j s PRO 200 N 4.31 3.74 0.99 0.00 0.04 -1.26 -0.57 135.00 142.25 1b0j s PRO 200 Ca 0.91 1.22 -0.15 0.00 0.04 0.00 0.00 61.00 63.02 1b0j s PRO 200 Cb -0.57 -2.09 0.19 0.00 0.04 0.00 0.00 34.50 32.06 1b0j s PRO 200 CO 0.47 -0.46 1.20 0.15 0.04 0.00 0.00 177.00 178.40 1b0j s LYS 201 N -3.61 0.51 -0.04 4.56 -0.14 -0.42 -4.38 119.74 116.22 1b0j s LYS 201 Ca 0.64 -0.04 0.01 0.00 -1.36 0.00 0.00 55.97 55.22 1b0j s LYS 201 Cb -0.14 -1.80 0.02 0.00 -1.68 0.00 0.00 37.83 34.23 1b0j s LYS 201 CO 0.26 -2.56 -0.04 0.08 -0.76 0.00 0.00 175.35 172.32 1b0j s VAL 202 N -3.45 0.48 -0.24 3.17 1.01 -1.26 -1.89 120.40 118.23 1b0j s VAL 202 Ca 0.69 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.53 1b0j s VAL 202 Cb -0.10 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.77 1b0j s VAL 202 CO 0.53 0.21 -0.03 -0.63 0.00 0.00 0.00 175.10 175.19 1b0j s ILE 203 N 0.90 3.33 0.01 2.22 1.01 -0.65 -0.40 121.20 127.62 1b0j s ILE 203 Ca -0.11 -0.67 -0.19 0.00 0.00 0.00 0.00 60.65 59.68 1b0j s ILE 203 Cb -0.14 -2.60 -0.06 0.00 0.01 0.00 0.00 42.46 39.67 1b0j s ILE 203 CO 0.00 0.31 0.54 -0.83 0.00 0.00 0.00 174.94 174.96 1b0j s GLY 204 N 1.44 2.59 -0.13 6.18 0.00 -0.10 -1.20 107.32 116.10 1b0j s GLY 204 Ca 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 44.72 44.73 1b0j s GLY 204 CO -0.03 0.54 -0.16 0.14 0.00 0.00 0.00 173.10 173.60 1b0j s VAL 205 N -0.59 2.76 -0.25 1.40 1.01 -0.98 -1.56 120.40 122.19 1b0j s VAL 205 Ca 0.28 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 1b0j s VAL 205 Cb -0.18 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1b0j s VAL 205 CO 0.16 0.53 0.02 -0.75 0.00 0.00 0.00 175.10 175.07 1b0j s LYS 206 N 0.42 3.43 -0.08 2.72 2.20 0.90 -2.29 119.74 127.04 1b0j s LYS 206 Ca -0.12 -0.61 -0.12 0.00 -0.36 0.00 0.00 55.97 54.76 1b0j s LYS 206 Cb -0.16 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 1b0j s LYS 206 CO 0.06 -0.24 0.30 -0.51 -0.36 0.00 0.00 175.35 174.59 1b0j s LEU 207 N 1.53 4.39 0.06 5.43 1.43 0.24 -0.74 118.68 131.03 1b0j s LEU 207 Ca 0.05 0.70 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 1b0j s LEU 207 Cb -0.15 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1b0j s LEU 207 CO 0.00 0.30 -0.05 -0.89 0.23 0.00 0.00 176.35 175.94 1b0j s THR 208 N -0.70 0.45 0.00 5.49 2.01 -0.60 -1.15 115.64 121.15 1b0j s THR 208 Ca 0.19 -1.55 0.00 0.00 0.31 0.00 0.00 61.69 60.65 1b0j s THR 208 Cb -0.14 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.20 1b0j s THR 208 CO 0.08 -0.73 0.00 0.61 -0.69 0.00 0.00 174.62 173.89 1b0j n GLY 209 N 0.60 -1.43 3.10 4.40 0.00 -1.26 -0.69 105.19 109.92 1b0j n GLY 209 Ca -0.17 -1.30 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 1b0j n GLY 209 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b0j s SER 210 N -4.00 0.04 0.53 1.61 1.04 -1.26 -4.02 113.70 107.64 1b0j s SER 210 Ca 0.00 -0.23 -0.19 0.00 0.48 0.00 0.00 55.95 56.01 1b0j s SER 210 Cb 0.00 0.20 -0.06 0.00 0.10 0.00 0.00 66.02 66.26 1b0j s SER 210 CO 0.00 -0.37 1.09 -0.76 0.98 0.00 0.00 173.24 174.17 1b0j s LEU 211 N -1.41 3.74 -0.09 2.42 1.43 -1.26 -2.81 118.68 120.70 1b0j s LEU 211 Ca -0.15 2.04 -0.07 0.00 -1.03 0.00 0.00 54.13 54.92 1b0j s LEU 211 Cb -0.08 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 41.61 1b0j s LEU 211 CO 0.01 -1.08 0.23 -0.94 0.23 0.00 0.00 176.35 174.81 1b0j s SER 212 N -2.00 -0.24 1.36 2.29 1.04 -1.26 -4.98 113.70 109.91 1b0j s SER 212 Ca 0.69 0.47 0.00 0.00 0.48 0.00 0.00 55.95 57.60 1b0j s SER 212 Cb -0.20 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1b0j s SER 212 CO 0.26 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1b0j n GLY 213 N 3.43 1.72 0.21 7.32 0.00 -1.26 -3.04 105.19 113.57 1b0j n GLY 213 Ca -0.17 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.44 1b0j n GLY 213 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1b0j h TRP 214 N 0.00 0.03 -3.40 1.61 4.06 -1.92 -3.43 115.95 112.89 1b0j h TRP 214 Ca 0.00 -0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.42 1b0j h TRP 214 Cb 0.00 -0.01 0.06 0.00 -1.00 0.00 0.00 29.16 28.21 1b0j h TRP 214 CO 0.00 0.28 0.75 0.99 -3.56 0.00 0.00 178.44 176.90 1b0j s THR 215 N -4.47 2.68 0.32 1.49 2.01 -1.17 -4.86 115.64 111.65 1b0j s THR 215 Ca -0.04 0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.58 1b0j s THR 215 Cb 0.15 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1b0j s THR 215 CO 0.71 0.09 0.17 -0.94 -0.69 0.00 0.00 174.62 173.96 1b0j s SER 216 N 0.33 1.77 0.41 3.53 1.04 -1.26 -4.24 113.70 115.27 1b0j s SER 216 Ca 0.59 -1.59 0.17 0.00 0.48 0.00 0.00 55.95 55.59 1b0j s SER 216 Cb -0.42 0.41 1.06 0.00 0.10 0.00 0.00 66.02 67.18 1b0j s SER 216 CO 0.43 -0.91 1.83 -0.65 0.98 0.00 0.00 173.24 174.93 1b0j h PRO 217 N 2.14 0.42 -0.30 4.02 0.11 -1.95 -2.41 132.00 134.02 1b0j h PRO 217 Ca -0.33 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.78 1b0j h PRO 217 Cb 1.25 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1b0j h PRO 217 CO 0.51 0.28 0.20 -0.22 -0.21 0.00 0.00 178.00 178.56 1b0j h LYS 218 N 0.43 0.32 -0.04 1.05 1.63 -1.94 -3.06 116.57 114.97 1b0j h LYS 218 Ca 0.50 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 60.22 1b0j h LYS 218 Cb 1.22 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 1b0j h LYS 218 CO -0.21 0.21 -0.28 -0.44 -3.45 0.00 0.00 179.45 175.28 1b0j h ASP 219 N 0.33 0.06 0.05 4.20 3.32 -1.80 -1.08 116.42 121.50 1b0j h ASP 219 Ca 0.12 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1b0j h ASP 219 Cb 0.08 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1b0j h ASP 219 CO -0.03 0.35 -0.02 0.58 -1.72 0.00 0.00 179.24 178.40 1b0j h VAL 220 N 0.06 1.01 0.00 -1.35 2.07 -1.68 -0.62 116.25 115.74 1b0j h VAL 220 Ca 0.01 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 1b0j h VAL 220 Cb 0.54 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1b0j h VAL 220 CO 0.04 0.05 -0.46 -0.29 0.02 0.00 0.00 177.57 176.92 1b0j h ILE 221 N -0.15 0.84 -0.53 4.57 6.09 -1.60 -0.26 117.51 126.46 1b0j h ILE 221 Ca -0.01 -2.04 -0.10 0.00 -1.37 0.00 0.00 64.86 61.34 1b0j h ILE 221 Cb 0.13 2.31 -0.02 0.00 0.47 0.00 0.00 36.82 39.71 1b0j h ILE 221 CO 0.01 0.45 -0.08 -0.07 -3.07 0.00 0.00 178.15 175.40 1b0j h LEU 222 N 0.00 0.97 -0.13 2.19 3.38 -1.04 -1.32 115.31 119.36 1b0j h LEU 222 Ca -0.00 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 1b0j h LEU 222 Cb 1.27 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1b0j h LEU 222 CO 0.06 1.07 -0.43 0.50 0.09 0.00 0.00 178.44 179.72 1b0j h LYS 223 N 0.88 0.53 -0.32 1.13 1.63 -0.94 -2.39 116.57 117.09 1b0j h LYS 223 Ca 0.15 -0.39 0.04 0.00 -0.85 0.00 0.00 60.65 59.60 1b0j h LYS 223 Cb 0.62 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.28 1b0j h LYS 223 CO 0.04 1.01 0.09 0.28 -3.45 0.00 0.00 179.45 177.42 1b0j h VAL 224 N 0.14 0.88 -0.07 2.00 2.07 -1.02 -1.04 116.25 119.21 1b0j h VAL 224 Ca -0.02 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.47 1b0j h VAL 224 Cb 1.06 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1b0j h VAL 224 CO 0.09 0.04 -0.19 0.00 0.02 0.00 0.00 177.57 177.53 1b0j h ALA 225 N 1.22 -0.19 -0.69 1.67 0.00 -1.24 0.20 119.26 120.23 1b0j h ALA 225 Ca 0.15 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1b0j h ALA 225 Cb 0.14 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1b0j h ALA 225 CO -0.17 -0.67 0.45 0.78 0.00 0.00 0.00 179.25 179.64 1b0j h GLY 226 N -0.28 0.90 0.45 0.00 0.00 -1.12 -0.18 103.07 102.83 1b0j h GLY 226 Ca 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1b0j h GLY 226 CO -0.23 0.22 -0.16 -2.22 0.00 0.00 0.00 176.54 174.15 1b0j h ILE 227 N 0.72 0.37 0.00 2.60 2.04 -0.36 -3.38 117.51 119.49 1b0j h ILE 227 Ca 0.30 -0.76 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 1b0j h ILE 227 Cb 0.25 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1b0j h ILE 227 CO -0.09 0.09 -0.18 0.25 0.00 0.00 0.00 178.15 178.22 1b0j h LEU 228 N -1.01 0.00 -0.33 1.44 5.85 -1.01 -3.51 115.31 116.74 1b0j h LEU 228 Ca -0.05 0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.90 1b0j h LEU 228 Cb 0.49 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.41 1b0j h LEU 228 CO 0.08 0.18 -0.69 0.35 -0.34 0.00 0.00 178.44 178.01 1b0j n THR 229 N -3.15 -0.31 0.16 1.05 -2.24 -0.08 -2.22 114.28 107.49 1b0j n THR 229 Ca 0.03 0.46 0.09 0.00 -2.27 0.00 0.00 64.05 62.35 1b0j n THR 229 Cb 0.58 -0.76 0.46 0.00 -2.10 0.00 0.00 70.33 68.52 1b0j n THR 229 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1b0j n VAL 230 N -3.54 0.86 -0.05 2.28 0.24 -1.26 -1.16 118.33 115.69 1b0j n VAL 230 Ca -0.04 0.73 0.00 0.00 -2.04 0.00 0.00 64.34 62.99 1b0j n VAL 230 Cb 0.42 -1.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.06 1b0j n VAL 230 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1b0j n LYS 231 N -2.14 2.34 0.24 7.34 2.85 -1.26 -3.45 118.16 124.08 1b0j n LYS 231 Ca -0.01 -1.32 0.12 0.00 -1.05 0.00 0.00 58.31 56.05 1b0j n LYS 231 Cb 0.17 -0.97 0.49 0.00 -0.65 0.00 0.00 35.03 34.07 1b0j n LYS 231 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1b0j h GLY 232 N 0.00 0.00 -1.56 2.58 0.00 -0.66 -3.11 103.07 100.31 1b0j h GLY 232 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1b0j h GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1b0j n GLY 233 N 0.24 0.81 3.60 4.60 0.00 0.48 -4.95 105.19 109.96 1b0j n GLY 233 Ca 0.01 -0.62 -0.51 0.00 0.00 0.00 0.00 46.02 44.90 1b0j n GLY 233 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1b0j n THR 234 N 1.03 0.14 -0.80 2.61 -1.04 -1.16 -1.54 114.28 113.52 1b0j n THR 234 Ca 0.16 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1b0j n THR 234 Cb 0.53 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 1b0j n THR 234 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1b0j n GLY 235 N 2.56 0.93 3.41 3.41 0.00 -1.26 -4.97 105.19 109.27 1b0j n GLY 235 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1b0j n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b0j s ALA 236 N -3.26 2.45 -0.03 4.61 0.00 -0.59 -1.31 121.76 123.65 1b0j s ALA 236 Ca 0.00 -1.35 -0.18 0.00 0.00 0.00 0.00 51.96 50.43 1b0j s ALA 236 Cb 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 1b0j s ALA 236 CO 0.00 0.56 0.51 0.42 0.00 0.00 0.00 175.76 177.24 1b0j s ILE 237 N -0.99 5.00 -0.19 0.00 1.01 -0.79 -0.77 121.20 124.46 1b0j s ILE 237 Ca 0.14 1.05 -0.19 0.00 0.00 0.00 0.00 60.65 61.65 1b0j s ILE 237 Cb -0.10 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 1b0j s ILE 237 CO 0.06 0.45 0.53 -0.69 0.00 0.00 0.00 174.94 175.29 1b0j s VAL 238 N -0.30 5.11 -0.31 2.92 1.01 -0.47 -1.64 120.40 126.72 1b0j s VAL 238 Ca 0.27 0.98 0.02 0.00 0.00 0.00 0.00 61.98 63.25 1b0j s VAL 238 Cb -0.17 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.43 1b0j s VAL 238 CO 0.14 0.19 -0.01 -0.70 0.00 0.00 0.00 175.10 174.72 1b0j s GLU 239 N 1.53 2.03 0.39 2.72 2.12 -0.34 -1.31 118.70 125.84 1b0j s GLU 239 Ca 0.25 -1.53 -0.20 0.00 0.36 0.00 0.00 54.97 53.85 1b0j s GLU 239 Cb -0.15 -3.11 -0.10 0.00 0.26 0.00 0.00 34.13 31.02 1b0j s GLU 239 CO 0.10 -0.74 0.89 0.71 -0.54 0.00 0.00 175.26 175.68 1b0j s TYR 240 N 1.08 3.36 0.06 5.30 1.51 -0.46 -2.31 117.35 125.88 1b0j s TYR 240 Ca -0.01 1.52 -0.28 0.00 -1.01 0.00 0.00 57.07 57.30 1b0j s TYR 240 Cb -0.20 -2.77 0.09 0.00 -0.11 0.00 0.00 41.96 38.96 1b0j s TYR 240 CO -0.05 -0.03 1.00 -3.38 -1.11 0.00 0.00 175.55 171.98 1b0j s HIS 241 N -2.08 -0.18 0.00 2.71 -3.43 -0.97 -4.40 115.29 106.93 1b0j s HIS 241 Ca 0.59 -0.03 0.00 0.00 -0.80 0.00 0.00 55.06 54.82 1b0j s HIS 241 Cb -0.10 0.59 0.00 0.00 -1.43 0.00 0.00 32.58 31.64 1b0j s HIS 241 CO 0.15 -0.62 0.00 0.41 -2.00 0.00 0.00 174.74 172.67 1b0j n GLY 242 N -0.38 3.57 0.41 -1.38 0.00 -1.26 -0.60 105.19 105.56 1b0j n GLY 242 Ca -0.07 -1.83 0.23 0.00 0.00 0.00 0.00 46.02 44.35 1b0j n GLY 242 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b0j h PRO 243 N 0.00 0.00 0.00 1.61 0.13 -1.90 -3.08 132.00 128.75 1b0j h PRO 243 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1b0j h PRO 243 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1b0j h PRO 243 CO 0.00 0.00 -0.06 0.78 -0.23 0.00 0.00 178.00 178.49 1b0j h GLY 244 N 0.00 0.00 0.43 1.56 0.00 -1.27 -3.28 103.07 100.51 1b0j h GLY 244 Ca 0.30 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.74 1b0j h GLY 244 CO -0.00 0.00 0.44 -2.08 0.00 0.00 0.00 176.54 174.89 1b0j h VAL 245 N 0.00 0.85 0.00 4.60 2.07 -1.76 -1.76 116.25 120.25 1b0j h VAL 245 Ca -0.00 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1b0j h VAL 245 Cb 0.38 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1b0j h VAL 245 CO 0.01 0.13 -0.01 0.44 0.02 0.00 0.00 177.57 178.15 1b0j h ASP 246 N 0.70 0.00 1.12 0.57 3.32 -1.82 -0.67 116.42 119.64 1b0j h ASP 246 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1b0j h ASP 246 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1b0j h ASP 246 CO -0.28 0.01 0.00 -1.28 -1.72 0.00 0.00 179.24 175.97 1b0j h SER 247 N 0.00 0.00 -2.82 6.45 0.87 -1.53 -3.46 113.55 113.06 1b0j h SER 247 Ca -0.00 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.92 1b0j h SER 247 Cb 0.12 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 1b0j h SER 247 CO 0.00 0.00 -0.39 -0.63 -0.53 0.00 0.00 176.83 175.28 1b0j s ILE 248 N -3.56 5.34 0.84 2.23 1.01 -0.26 -4.87 121.20 121.93 1b0j s ILE 248 Ca 0.02 0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.86 1b0j s ILE 248 Cb 0.09 -3.53 0.09 0.00 0.01 0.00 0.00 42.46 39.12 1b0j s ILE 248 CO 0.54 0.50 1.09 -0.94 0.00 0.00 0.00 174.94 176.14 1b0j s SER 249 N -1.33 4.00 0.34 3.58 1.04 -1.26 -4.87 113.70 115.20 1b0j s SER 249 Ca 0.22 1.53 0.09 0.00 0.48 0.00 0.00 55.95 58.27 1b0j s SER 249 Cb -0.13 -2.24 0.63 0.00 0.10 0.00 0.00 66.02 64.38 1b0j s SER 249 CO 0.11 -2.31 1.80 0.00 0.98 0.00 0.00 173.24 173.82 1b0j h THR 251 N 0.16 1.05 0.00 0.00 1.35 -1.93 -2.34 112.91 111.20 1b0j h THR 251 Ca 0.02 -2.36 -0.11 0.00 -0.55 0.00 0.00 66.41 63.42 1b0j h THR 251 Cb 0.62 2.43 -0.02 0.00 -1.73 0.00 0.00 68.15 69.46 1b0j h THR 251 CO 0.05 0.57 -0.53 1.23 -0.25 0.00 0.00 175.52 176.59 1b0j h GLY 252 N 3.15 0.00 1.40 5.82 0.00 -1.87 -1.94 103.07 109.62 1b0j h GLY 252 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.10 1b0j h GLY 252 CO 0.08 0.00 -0.85 -0.33 0.00 0.00 0.00 176.54 175.44 1b0j h MET 253 N 0.00 0.57 -0.75 4.80 0.00 -1.24 -2.85 114.93 115.46 1b0j h MET 253 Ca -0.01 -0.52 0.06 0.00 0.00 0.00 0.00 59.70 59.24 1b0j h MET 253 Cb 1.09 0.13 -0.06 0.00 0.00 0.00 0.00 31.60 32.76 1b0j h MET 253 CO 0.07 1.14 0.44 0.00 0.00 0.00 0.00 176.91 178.56 1b0j h ALA 254 N 0.69 1.03 -0.25 6.32 0.00 -1.29 -1.69 119.26 124.07 1b0j h ALA 254 Ca -0.07 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1b0j h ALA 254 Cb 1.47 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1b0j h ALA 254 CO 0.16 0.13 -0.04 1.15 0.00 0.00 0.00 179.25 180.65 1b0j h THR 255 N 0.80 0.78 -0.40 0.00 2.02 -1.13 0.35 112.91 115.32 1b0j h THR 255 Ca 0.34 -0.01 -0.08 0.00 0.77 0.00 0.00 66.41 67.42 1b0j h THR 255 Cb 0.20 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1b0j h THR 255 CO -0.19 0.01 -0.07 0.40 0.37 0.00 0.00 175.52 176.04 1b0j h ILE 256 N 0.03 1.27 -0.36 3.11 2.04 -1.33 -2.90 117.51 119.37 1b0j h ILE 256 Ca 0.12 -1.15 -0.09 0.00 1.00 0.00 0.00 64.86 64.75 1b0j h ILE 256 Cb 0.17 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1b0j h ILE 256 CO -0.24 0.39 -0.14 0.00 0.00 0.00 0.00 178.15 178.15 1b0j h ASN 258 N 0.58 -1.16 0.00 0.00 -0.73 -0.81 -2.73 115.58 110.73 1b0j h ASN 258 Ca 0.10 0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.36 1b0j h ASN 258 Cb 0.58 0.38 0.00 0.00 0.27 0.00 0.00 38.32 39.55 1b0j h ASN 258 CO 0.04 -0.55 0.00 0.80 -0.37 0.00 0.00 177.43 177.35 1b0j n MET 259 N -4.95 0.85 0.11 6.67 1.56 -1.11 -2.12 117.12 118.13 1b0j n MET 259 Ca -0.10 0.00 0.12 0.00 -0.27 0.00 0.00 57.70 57.45 1b0j n MET 259 Cb 0.38 -1.01 0.46 0.00 2.15 0.00 0.00 33.22 35.20 1b0j n MET 259 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1b0j n GLY 260 N 0.36 -1.32 0.36 -5.12 0.00 -1.03 -1.83 105.19 96.60 1b0j n GLY 260 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.12 1b0j n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b0j h ALA 261 N 2.36 1.59 0.00 4.61 0.00 -1.60 -2.64 119.26 123.58 1b0j h ALA 261 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1b0j h ALA 261 Cb 0.41 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1b0j h ALA 261 CO 0.00 0.28 0.00 0.39 0.00 0.00 0.00 179.25 179.92 1b0j n GLU 262 N -4.49 0.45 -0.16 0.00 4.71 -0.76 -1.89 120.64 118.49 1b0j n GLU 262 Ca 0.13 0.03 0.07 0.00 -0.01 0.00 0.00 57.16 57.38 1b0j n GLU 262 Cb 0.22 -1.50 0.14 0.00 -1.01 0.00 0.00 31.44 29.29 1b0j n GLU 262 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1b0j n ILE 263 N -1.06 1.73 -1.00 -3.67 -5.35 -1.01 -4.17 119.36 104.83 1b0j n ILE 263 Ca 0.11 -1.81 -0.00 0.00 -0.27 0.00 0.00 62.75 60.78 1b0j n ILE 263 Cb 0.07 -0.03 -0.00 0.00 -1.74 0.00 0.00 39.64 37.94 1b0j n ILE 263 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1b0j n GLY 264 N -0.84 0.45 3.76 3.28 0.00 -0.79 -0.39 105.19 110.66 1b0j n GLY 264 Ca 0.14 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1b0j n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b0j s ALA 265 N -1.90 3.07 0.29 4.61 0.00 -1.15 -3.74 121.76 122.93 1b0j s ALA 265 Ca 0.00 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.12 1b0j s ALA 265 Cb 0.00 -3.47 0.55 0.00 0.00 0.00 0.00 23.12 20.20 1b0j s ALA 265 CO 0.00 -0.87 1.85 1.15 0.00 0.00 0.00 175.76 177.89 1b0j h THR 266 N 2.06 0.96 -2.25 0.00 2.02 -1.13 -3.45 112.91 111.12 1b0j h THR 266 Ca -0.50 -0.35 0.23 0.00 0.77 0.00 0.00 66.41 66.57 1b0j h THR 266 Cb 1.26 -0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 1b0j h THR 266 CO 0.61 0.18 0.69 1.07 0.37 0.00 0.00 175.52 178.44 1b0j n THR 267 N -4.58 0.00 -4.27 3.16 5.66 -1.26 -4.48 114.28 108.51 1b0j n THR 267 Ca 0.18 -0.32 -0.17 0.00 -3.05 0.00 0.00 64.05 60.70 1b0j n THR 267 Cb 0.32 0.61 -0.10 0.00 -1.55 0.00 0.00 70.33 69.60 1b0j n THR 267 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1b0j s SER 268 N -3.40 2.05 0.02 1.09 0.01 -1.26 -1.36 113.70 110.84 1b0j s SER 268 Ca 0.24 -0.94 -0.24 0.00 1.31 0.00 0.00 55.95 56.32 1b0j s SER 268 Cb -0.02 -0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.21 1b0j s SER 268 CO 0.02 -0.23 0.55 0.54 0.41 0.00 0.00 173.24 174.53 1b0j s VAL 269 N -2.81 0.02 0.21 3.43 0.11 -0.42 -4.29 120.40 116.65 1b0j s VAL 269 Ca 0.15 -0.18 0.10 0.00 -2.93 0.00 0.00 61.98 59.11 1b0j s VAL 269 Cb -0.01 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1b0j s VAL 269 CO 0.03 -0.10 -0.11 -0.36 -3.33 0.00 0.00 175.10 171.23 1b0j s PHE 270 N -2.05 2.56 0.35 1.54 0.40 -1.10 -1.35 117.98 118.33 1b0j s PHE 270 Ca -0.07 -0.25 -0.17 0.00 -0.60 0.00 0.00 56.93 55.83 1b0j s PHE 270 Cb -0.01 -1.22 -0.10 0.00 0.51 0.00 0.00 43.02 42.21 1b0j s PHE 270 CO 0.02 0.55 0.80 -1.25 0.70 0.00 0.00 175.22 176.04 1b0j s PRO 271 N -3.04 4.09 0.15 0.24 0.04 -1.26 -4.23 135.00 130.99 1b0j s PRO 271 Ca 0.26 0.82 -0.31 0.00 0.04 0.00 0.00 61.00 61.81 1b0j s PRO 271 Cb -0.08 -2.37 -0.11 0.00 0.04 0.00 0.00 34.50 31.98 1b0j s PRO 271 CO 0.15 0.11 1.80 -0.47 0.04 0.00 0.00 177.00 178.63 1b0j s TYR 272 N -2.03 2.38 0.10 0.56 5.04 -0.84 -4.94 117.35 117.61 1b0j s TYR 272 Ca 0.56 0.09 0.02 0.00 -2.44 0.00 0.00 57.07 55.30 1b0j s TYR 272 Cb -0.10 -4.17 -0.01 0.00 0.35 0.00 0.00 41.96 38.04 1b0j s TYR 272 CO 0.16 -4.70 0.09 0.27 -1.34 0.00 0.00 175.55 170.04 1b0j n ASN 273 N 5.16 -0.24 0.11 4.32 0.23 -1.26 -4.90 115.26 118.69 1b0j n ASN 273 Ca 0.17 -1.63 -0.01 0.00 -0.53 0.00 0.00 54.58 52.58 1b0j n ASN 273 Cb 0.37 0.53 0.26 0.00 -2.08 0.00 0.00 39.78 38.86 1b0j n ASN 273 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 1b0j h HIS 274 N 1.31 0.23 -0.29 -2.53 2.07 -1.99 -2.72 115.15 111.24 1b0j h HIS 274 Ca -0.07 -0.06 -0.07 0.00 -2.85 0.00 0.00 60.37 57.33 1b0j h HIS 274 Cb 0.35 -0.05 -0.02 0.00 2.57 0.00 0.00 27.41 30.26 1b0j h HIS 274 CO 0.00 0.55 -0.11 0.00 -3.07 0.00 0.00 177.93 175.31 1b0j h ARG 275 N 0.17 0.48 -0.14 5.12 2.47 -1.92 -2.22 114.38 118.34 1b0j h ARG 275 Ca 0.02 -0.13 -0.05 0.00 -1.26 0.00 0.00 59.98 58.56 1b0j h ARG 275 Cb 0.75 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.01 1b0j h ARG 275 CO 0.06 0.59 -0.10 0.52 0.56 0.00 0.00 179.97 181.59 1b0j h MET 276 N 0.44 0.32 -0.57 0.04 2.86 -1.87 -2.88 114.93 113.27 1b0j h MET 276 Ca 0.09 -0.15 0.09 0.00 -2.06 0.00 0.00 59.70 57.66 1b0j h MET 276 Cb 0.46 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.05 1b0j h MET 276 CO 0.03 0.68 0.19 -0.22 1.06 0.00 0.00 176.91 178.64 1b0j h LYS 277 N -0.04 0.35 -0.45 1.72 3.64 -1.40 -0.70 116.57 119.69 1b0j h LYS 277 Ca 0.03 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1b0j h LYS 277 Cb 0.60 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 1b0j h LYS 277 CO 0.03 0.23 0.17 -0.22 -2.27 0.00 0.00 179.45 177.39 1b0j h LYS 278 N 0.36 0.35 -0.52 1.90 3.64 -1.38 -1.41 116.57 119.50 1b0j h LYS 278 Ca 0.29 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.52 1b0j h LYS 278 Cb 0.36 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1b0j h LYS 278 CO -0.31 0.23 -0.15 -0.92 -2.27 0.00 0.00 179.45 176.04 1b0j h TYR 279 N 0.36 1.15 -0.47 1.91 5.03 -1.21 -2.06 116.97 121.67 1b0j h TYR 279 Ca 0.21 -0.25 0.01 0.00 2.58 0.00 0.00 58.73 61.28 1b0j h TYR 279 Cb 0.19 -0.28 -0.03 0.00 1.55 0.00 0.00 36.73 38.16 1b0j h TYR 279 CO -0.14 1.08 0.30 -0.07 -1.32 0.00 0.00 178.16 178.00 1b0j h LEU 280 N 0.89 0.50 -0.51 2.82 3.38 -0.89 -1.31 115.31 120.18 1b0j h LEU 280 Ca 0.13 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1b0j h LEU 280 Cb 0.72 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1b0j h LEU 280 CO 0.06 0.36 0.26 0.28 0.09 0.00 0.00 178.44 179.48 1b0j h SER 281 N 0.60 0.66 0.69 -0.43 0.02 -1.10 0.16 113.55 114.16 1b0j h SER 281 Ca 0.18 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1b0j h SER 281 Cb -0.02 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.35 1b0j h SER 281 CO -0.06 0.59 0.00 1.17 -1.14 0.00 0.00 176.83 177.38 1b0j n LYS 282 N -4.61 0.05 -0.94 3.45 3.00 -0.79 -2.66 118.16 115.66 1b0j n LYS 282 Ca 0.02 0.12 -0.07 0.00 -0.00 0.00 0.00 58.31 58.38 1b0j n LYS 282 Cb 0.10 -1.50 0.18 0.00 0.00 0.00 0.00 35.03 33.81 1b0j n LYS 282 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1b0j n THR 283 N -1.47 2.61 -2.54 3.15 -2.24 -0.52 -4.68 114.28 108.61 1b0j n THR 283 Ca 0.06 -2.88 -0.17 0.00 -2.27 0.00 0.00 64.05 58.78 1b0j n THR 283 Cb 0.24 -0.42 0.01 0.00 -2.10 0.00 0.00 70.33 68.06 1b0j n THR 283 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b0j n GLY 284 N -1.09 -0.31 1.66 3.38 0.00 -1.09 -4.93 105.19 102.81 1b0j n GLY 284 Ca 0.36 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 1b0j n GLY 284 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b0j n ARG 285 N -2.92 1.94 -0.09 1.61 1.74 0.51 -4.83 116.66 114.62 1b0j n ARG 285 Ca -0.16 -3.37 0.09 0.00 -0.77 0.00 0.00 57.85 53.64 1b0j n ARG 285 Cb 0.63 -1.51 0.44 0.00 -1.02 0.00 0.00 32.46 31.00 1b0j n ARG 285 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b0j h ALA 286 N 1.69 1.86 0.00 7.54 0.00 -1.78 0.16 119.26 128.74 1b0j h ALA 286 Ca 0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1b0j h ALA 286 Cb 1.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1b0j h ALA 286 CO 0.29 0.04 -0.24 0.38 0.00 0.00 0.00 179.25 179.73 1b0j h ASP 287 N 0.53 0.00 0.22 0.00 2.03 -1.93 -1.08 116.42 116.19 1b0j h ASP 287 Ca 0.25 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.32 1b0j h ASP 287 Cb 0.32 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.83 1b0j h ASP 287 CO -0.07 0.24 -0.97 0.40 -1.03 0.00 0.00 179.24 177.80 1b0j h ILE 288 N 0.00 1.36 -1.00 4.15 2.04 -1.38 -2.26 117.51 120.42 1b0j h ILE 288 Ca -0.00 -2.37 0.02 0.00 1.00 0.00 0.00 64.86 63.51 1b0j h ILE 288 Cb 0.46 2.39 -0.05 0.00 -0.74 0.00 0.00 36.82 38.88 1b0j h ILE 288 CO 0.03 0.72 0.66 0.00 0.00 0.00 0.00 178.15 179.56 1b0j h ALA 289 N 0.63 1.32 -0.34 1.87 0.00 -1.04 -1.52 119.26 120.18 1b0j h ALA 289 Ca -0.09 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1b0j h ALA 289 Cb 1.61 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1b0j h ALA 289 CO 0.18 0.61 -0.34 -0.91 0.00 0.00 0.00 179.25 178.78 1b0j h ASN 290 N 1.31 0.89 0.45 0.00 2.35 -1.14 -1.66 115.58 117.78 1b0j h ASN 290 Ca 0.38 -0.47 -0.12 0.00 -0.55 0.00 0.00 56.30 55.55 1b0j h ASN 290 Cb -0.08 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 1b0j h ASN 290 CO -0.10 1.17 -0.52 0.25 -1.65 0.00 0.00 177.43 176.58 1b0j h LEU 291 N 0.61 0.09 -0.72 1.61 5.85 -1.27 -2.61 115.31 118.88 1b0j h LEU 291 Ca 0.05 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 1b0j h LEU 291 Cb 0.93 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1b0j h LEU 291 CO 0.08 0.60 -0.32 0.00 -0.34 0.00 0.00 178.44 178.46 1b0j h ALA 292 N 1.41 0.89 -0.44 1.25 0.00 -1.14 -2.74 119.26 118.49 1b0j h ALA 292 Ca -0.00 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.57 1b0j h ALA 292 Cb 0.94 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1b0j h ALA 292 CO 0.07 0.63 0.30 -0.44 0.00 0.00 0.00 179.25 179.81 1b0j h ASP 293 N 0.54 0.29 1.72 0.00 3.32 -0.91 0.41 116.42 121.79 1b0j h ASP 293 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1b0j h ASP 293 Cb 0.81 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1b0j h ASP 293 CO 0.07 0.19 0.00 -0.33 -1.72 0.00 0.00 179.24 177.45 1b0j h GLU 294 N 0.33 0.00 -0.03 3.56 5.08 -1.45 -3.26 114.58 118.81 1b0j h GLU 294 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1b0j h GLU 294 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1b0j h GLU 294 CO -0.04 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.16 1b0j n PHE 295 N -2.97 0.02 -0.19 4.33 3.72 -0.18 -4.84 117.46 117.35 1b0j n PHE 295 Ca 0.04 -0.02 0.15 0.00 -0.05 0.00 0.00 57.45 57.57 1b0j n PHE 295 Cb 0.47 -0.00 0.25 0.00 -0.94 0.00 0.00 39.48 39.26 1b0j n PHE 295 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1b0j n LYS 296 N 0.72 -0.01 0.16 -1.08 3.00 0.13 -1.54 118.16 119.54 1b0j n LYS 296 Ca 0.08 0.43 0.01 0.00 -0.00 0.00 0.00 58.31 58.82 1b0j n LYS 296 Cb 0.33 -0.88 0.26 0.00 0.00 0.00 0.00 35.03 34.74 1b0j n LYS 296 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1b0j h ASP 297 N 0.00 0.00 -0.07 3.14 3.32 -1.88 -2.54 116.42 118.40 1b0j h ASP 297 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1b0j h ASP 297 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1b0j h ASP 297 CO -0.13 0.50 0.00 1.41 -1.72 0.00 0.00 179.24 179.30 1b0j n HIS 298 N -3.93 0.07 -0.36 4.55 8.25 -0.59 -4.00 115.22 119.21 1b0j n HIS 298 Ca -0.01 -0.03 0.04 0.00 -0.26 0.00 0.00 57.72 57.46 1b0j n HIS 298 Cb 0.52 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.72 1b0j n HIS 298 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1b0j n LEU 299 N 0.52 2.54 -4.28 2.41 4.77 -0.96 -4.71 117.00 117.29 1b0j n LEU 299 Ca 0.18 -2.32 -0.15 0.00 -0.03 0.00 0.00 56.01 53.68 1b0j n LEU 299 Cb 0.42 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 1b0j n LEU 299 CO 0.16 0.62 -0.39 0.68 -1.33 0.00 0.00 177.39 177.13 1b0j s VAL 300 N -1.57 1.15 0.49 4.08 -7.23 -1.19 -1.99 120.40 114.15 1b0j s VAL 300 Ca 0.17 -2.06 -0.18 0.00 -1.81 0.00 0.00 61.98 58.10 1b0j s VAL 300 Cb 0.13 -2.01 -0.09 0.00 0.56 0.00 0.00 36.38 34.96 1b0j s VAL 300 CO 0.06 -0.61 0.98 -2.16 -0.31 0.00 0.00 175.10 173.06 1b0j s PRO 301 N -3.78 4.01 0.43 4.82 0.04 -1.26 -4.59 135.00 134.67 1b0j s PRO 301 Ca 0.21 1.04 -0.25 0.00 0.04 0.00 0.00 61.00 62.03 1b0j s PRO 301 Cb 0.03 -2.15 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 1b0j s PRO 301 CO 0.03 -0.22 1.30 -0.51 0.04 0.00 0.00 177.00 177.65 1b0j s ASP 302 N -2.72 6.16 0.25 6.66 1.01 -1.02 -4.93 116.67 122.09 1b0j s ASP 302 Ca 0.60 2.65 -0.31 0.00 0.71 0.00 0.00 52.55 56.20 1b0j s ASP 302 Cb -0.10 -2.64 -0.12 0.00 1.01 0.00 0.00 42.92 41.08 1b0j s ASP 302 CO 0.25 -0.95 1.65 -2.65 0.21 0.00 0.00 175.17 173.68 1b0j n PRO 303 N -0.08 2.73 -3.14 8.23 -0.02 -1.26 -3.18 135.00 138.28 1b0j n PRO 303 Ca 0.05 0.98 -0.14 0.00 -2.02 0.00 0.00 63.50 62.36 1b0j n PRO 303 Cb 0.44 -2.79 0.06 0.00 -0.02 0.00 0.00 33.50 31.19 1b0j n PRO 303 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b0j n GLY 304 N 2.97 -0.07 3.84 -1.23 0.00 -1.26 -4.84 105.19 104.61 1b0j n GLY 304 Ca 0.12 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1b0j n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b0j s HIS 306 N -1.81 3.29 0.23 0.00 2.46 -1.26 -5.01 115.29 113.19 1b0j s HIS 306 Ca 0.49 0.78 -0.14 0.00 0.47 0.00 0.00 55.06 56.67 1b0j s HIS 306 Cb -0.12 -2.80 -0.08 0.00 -0.13 0.00 0.00 32.58 29.45 1b0j s HIS 306 CO 0.19 -0.29 0.62 0.71 -2.47 0.00 0.00 174.74 173.50 1b0j s TYR 307 N 2.36 3.50 -0.78 3.88 2.02 -1.26 -4.90 117.35 122.17 1b0j s TYR 307 Ca 0.25 1.10 0.26 0.00 -0.37 0.00 0.00 57.07 58.31 1b0j s TYR 307 Cb -0.16 -2.42 0.72 0.00 -0.40 0.00 0.00 41.96 39.71 1b0j s TYR 307 CO 0.09 0.28 1.64 -0.25 -1.57 0.00 0.00 175.55 175.74 1b0j n ASP 308 N 0.23 0.61 -3.64 2.29 9.92 0.46 -4.81 116.55 121.61 1b0j n ASP 308 Ca -0.01 0.35 -0.15 0.00 -0.53 0.00 0.00 54.79 54.45 1b0j n ASP 308 Cb 0.52 -0.36 -0.08 0.00 -0.64 0.00 0.00 41.12 40.56 1b0j n ASP 308 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1b0j s GLN 309 N -3.09 0.83 0.03 -1.24 0.74 -1.22 -5.02 119.66 110.68 1b0j s GLN 309 Ca 0.10 0.33 0.06 0.00 0.05 0.00 0.00 55.36 55.90 1b0j s GLN 309 Cb 0.14 0.39 -0.02 0.00 1.10 0.00 0.00 33.01 34.62 1b0j s GLN 309 CO 0.63 -0.21 -0.18 0.08 -0.55 0.00 0.00 175.29 175.06 1b0j s VAL 310 N -0.71 1.48 0.02 1.34 1.01 -1.26 -0.92 120.40 121.36 1b0j s VAL 310 Ca -0.08 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.85 1b0j s VAL 310 Cb -0.03 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1b0j s VAL 310 CO 0.05 0.18 -0.07 -0.63 0.00 0.00 0.00 175.10 174.63 1b0j s ILE 311 N -0.75 0.55 -0.05 2.22 1.01 -0.60 -4.94 121.20 118.62 1b0j s ILE 311 Ca 0.06 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1b0j s ILE 311 Cb -0.08 -0.54 -0.00 0.00 0.01 0.00 0.00 42.46 41.84 1b0j s ILE 311 CO 0.01 -0.13 -0.18 -0.70 0.00 0.00 0.00 174.94 173.94 1b0j s GLU 312 N -0.93 1.98 -0.06 2.79 2.12 -1.26 -0.07 118.70 123.27 1b0j s GLU 312 Ca -0.04 -0.63 0.03 0.00 0.36 0.00 0.00 54.97 54.69 1b0j s GLU 312 Cb -0.06 -1.66 0.01 0.00 0.26 0.00 0.00 34.13 32.67 1b0j s GLU 312 CO 0.00 0.21 -0.15 0.42 -0.54 0.00 0.00 175.26 175.20 1b0j s ILE 313 N 0.17 1.32 -0.47 -3.70 1.01 0.08 -4.92 121.20 114.69 1b0j s ILE 313 Ca -0.07 -0.61 -0.14 0.00 0.00 0.00 0.00 60.65 59.83 1b0j s ILE 313 Cb -0.13 -1.18 0.08 0.00 0.01 0.00 0.00 42.46 41.24 1b0j s ILE 313 CO 0.03 0.39 0.38 0.21 0.00 0.00 0.00 174.94 175.96 1b0j s ASN 314 N 0.46 6.07 0.46 3.58 2.47 -1.26 -1.55 114.94 125.17 1b0j s ASN 314 Ca -0.13 -1.41 0.22 0.00 0.42 0.00 0.00 52.86 51.97 1b0j s ASN 314 Cb -0.15 -2.15 1.23 0.00 -1.45 0.00 0.00 41.25 38.72 1b0j s ASN 314 CO 0.04 -0.65 1.88 -0.07 -3.72 0.00 0.00 177.10 174.58 1b0j h LEU 315 N 8.71 0.25 -0.23 3.21 4.07 -1.19 -2.32 115.31 127.81 1b0j h LEU 315 Ca -0.28 0.03 -0.08 0.00 0.08 0.00 0.00 57.88 57.63 1b0j h LEU 315 Cb 1.10 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.81 1b0j h LEU 315 CO 0.88 0.10 -0.38 0.28 -1.08 0.00 0.00 178.44 178.23 1b0j h SER 316 N 0.25 0.00 1.17 -0.43 0.02 -1.70 -2.96 113.55 109.90 1b0j h SER 316 Ca 0.43 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.37 1b0j h SER 316 Cb 1.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.82 1b0j h SER 316 CO -0.11 0.38 -0.83 -0.33 -1.14 0.00 0.00 176.83 174.80 1b0j h GLU 317 N 0.00 0.00 -6.71 3.45 3.07 -1.75 -3.47 114.58 109.18 1b0j h GLU 317 Ca -0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.33 1b0j h GLU 317 Cb 1.21 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 29.16 1b0j h GLU 317 CO 0.05 0.03 0.70 -1.17 -1.40 0.00 0.00 179.01 177.22 1b0j s LEU 318 N -5.57 4.40 0.27 1.33 2.96 -1.01 -5.04 118.68 116.02 1b0j s LEU 318 Ca 0.01 2.51 0.08 0.00 -0.22 0.00 0.00 54.13 56.51 1b0j s LEU 318 Cb 0.09 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 1b0j s LEU 318 CO 0.77 -0.60 0.13 -0.75 -1.32 0.00 0.00 176.35 174.58 1b0j s LYS 319 N -0.23 2.67 -0.00 1.98 2.47 -1.26 -4.77 119.74 120.60 1b0j s LYS 319 Ca 0.58 -1.22 -0.40 0.00 -1.56 0.00 0.00 55.97 53.37 1b0j s LYS 319 Cb -0.39 -2.40 -0.19 0.00 -1.46 0.00 0.00 37.83 33.39 1b0j s LYS 319 CO 0.40 0.35 1.16 -2.30 0.16 0.00 0.00 175.35 175.12 1b0j n PRO 320 N -1.10 0.27 -4.55 4.03 -0.02 -1.26 -4.94 135.00 127.43 1b0j n PRO 320 Ca -0.07 0.10 -0.26 0.00 -2.02 0.00 0.00 63.50 61.25 1b0j n PRO 320 Cb 0.59 -1.63 -0.11 0.00 -0.02 0.00 0.00 33.50 32.33 1b0j n PRO 320 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1b0j s HIS 321 N 0.27 2.40 -0.20 6.00 3.76 -1.26 -1.27 115.29 125.00 1b0j s HIS 321 Ca 0.90 -0.51 -0.09 0.00 -0.15 0.00 0.00 55.06 55.21 1b0j s HIS 321 Cb -1.21 -1.40 0.08 0.00 1.11 0.00 0.00 32.58 31.16 1b0j s HIS 321 CO 0.56 0.57 0.46 -1.50 -0.85 0.00 0.00 174.74 173.98 1b0j s ILE 322 N -2.62 -0.27 0.04 0.60 2.07 -0.38 -4.60 121.20 116.04 1b0j s ILE 322 Ca 0.33 0.10 0.07 0.00 -1.41 0.00 0.00 60.65 59.73 1b0j s ILE 322 Cb 0.03 -0.70 -0.03 0.00 0.13 0.00 0.00 42.46 41.89 1b0j s ILE 322 CO 0.17 0.04 -0.16 0.20 -1.91 0.00 0.00 174.94 173.28 1b0j s ASN 323 N 1.90 3.93 0.00 4.50 -0.87 -0.55 -1.34 114.94 122.52 1b0j s ASN 323 Ca -0.07 -0.39 0.00 0.00 -1.57 0.00 0.00 52.86 50.83 1b0j s ASN 323 Cb -0.09 -0.68 0.00 0.00 -0.02 0.00 0.00 41.25 40.46 1b0j s ASN 323 CO -0.14 0.25 0.00 0.61 -2.57 0.00 0.00 177.10 175.26 1b0j n GLY 324 N 1.51 -1.88 0.19 0.66 0.00 -0.14 -0.82 105.19 104.72 1b0j n GLY 324 Ca -0.16 -2.17 0.05 0.00 0.00 0.00 0.00 46.02 43.73 1b0j n GLY 324 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b0j h PRO 325 N 3.13 0.00 0.00 1.61 0.13 -1.88 -3.47 132.00 131.53 1b0j h PRO 325 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1b0j h PRO 325 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1b0j h PRO 325 CO 0.00 0.36 -0.35 1.19 -0.23 0.00 0.00 178.00 178.97 1b0j n PHE 326 N -3.81 0.00 -3.81 1.56 3.01 -1.26 -3.94 117.46 109.20 1b0j n PHE 326 Ca -0.01 -0.59 -0.12 0.00 1.01 0.00 0.00 57.45 57.73 1b0j n PHE 326 Cb 0.43 -0.12 -0.11 0.00 -0.01 0.00 0.00 39.48 39.67 1b0j n PHE 326 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1b0j s THR 327 N -1.46 0.02 -2.11 4.37 2.01 -1.26 -4.00 115.64 113.19 1b0j s THR 327 Ca 0.20 -0.14 0.22 0.00 0.31 0.00 0.00 61.69 62.28 1b0j s THR 327 Cb 0.19 -0.35 0.56 0.00 0.01 0.00 0.00 72.50 72.90 1b0j s THR 327 CO -0.01 -0.08 1.73 -0.81 -0.69 0.00 0.00 174.62 174.76 1b0j n PRO 328 N 2.62 1.26 -0.08 4.92 -0.04 -1.26 -3.03 135.00 139.38 1b0j n PRO 328 Ca -0.15 -0.38 0.08 0.00 -0.04 0.00 0.00 63.50 63.01 1b0j n PRO 328 Cb 0.58 -1.36 0.12 0.00 -0.04 0.00 0.00 33.50 32.80 1b0j n PRO 328 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1b0j n ASP 329 N -0.43 2.67 -4.54 3.54 5.68 -1.26 -4.69 116.55 117.51 1b0j n ASP 329 Ca 0.16 -1.78 -0.42 0.00 -0.50 0.00 0.00 54.79 52.25 1b0j n ASP 329 Cb 0.17 -0.11 -0.02 0.00 -1.14 0.00 0.00 41.12 40.01 1b0j n ASP 329 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1b0j s LEU 330 N -1.24 3.83 -0.07 -2.12 0.20 -1.24 -3.87 118.68 114.17 1b0j s LEU 330 Ca 0.24 -1.73 -0.20 0.00 0.69 0.00 0.00 54.13 53.13 1b0j s LEU 330 Cb 0.15 -2.54 -0.04 0.00 -0.43 0.00 0.00 46.19 43.32 1b0j s LEU 330 CO 0.21 -1.37 0.56 0.00 -0.29 0.00 0.00 176.35 175.46 1b0j s ALA 331 N 4.42 3.45 0.16 5.97 0.00 -1.26 -0.96 121.76 133.54 1b0j s ALA 331 Ca 0.45 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.41 1b0j s ALA 331 Cb -0.00 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 1b0j s ALA 331 CO -0.07 0.03 -0.13 -1.01 0.00 0.00 0.00 175.76 174.58 1b0j s HIS 332 N 0.41 1.51 0.24 0.00 0.09 -0.45 -4.99 115.29 112.10 1b0j s HIS 332 Ca 0.30 -0.61 -0.27 0.00 -0.00 0.00 0.00 55.06 54.47 1b0j s HIS 332 Cb -0.17 -0.74 -0.09 0.00 -0.00 0.00 0.00 32.58 31.58 1b0j s HIS 332 CO 0.14 0.22 0.88 -2.14 -0.00 0.00 0.00 174.74 173.84 1b0j s PRO 333 N -3.36 4.67 0.37 8.40 0.02 -1.26 -1.24 135.00 142.60 1b0j s PRO 333 Ca 0.17 1.32 0.11 0.00 0.02 0.00 0.00 61.00 62.61 1b0j s PRO 333 Cb -0.01 -3.12 0.88 0.00 0.02 0.00 0.00 34.50 32.27 1b0j s PRO 333 CO 0.04 0.46 1.88 0.28 -0.33 0.00 0.00 177.00 179.33 1b0j h VAL 334 N 3.02 0.81 0.00 3.83 2.07 -1.43 0.86 116.25 125.41 1b0j h VAL 334 Ca -0.46 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1b0j h VAL 334 Cb 1.20 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1b0j h VAL 334 CO 0.67 0.11 -0.02 0.00 0.02 0.00 0.00 177.57 178.34 1b0j h ALA 335 N 1.61 1.20 -0.00 1.67 0.00 -1.93 -3.07 119.26 118.74 1b0j h ALA 335 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1b0j h ALA 335 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1b0j h ALA 335 CO -0.19 0.03 -0.19 0.39 0.00 0.00 0.00 179.25 179.29 1b0j n GLU 336 N -3.40 2.67 0.06 0.00 1.02 0.17 -4.71 120.64 116.46 1b0j n GLU 336 Ca -0.02 -0.43 0.05 0.00 -0.02 0.00 0.00 57.16 56.74 1b0j n GLU 336 Cb 0.13 -0.98 0.47 0.00 -0.02 0.00 0.00 31.44 31.04 1b0j n GLU 336 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1b0j h VAL 337 N 0.70 1.08 0.00 2.62 3.04 -1.12 -2.50 116.25 120.08 1b0j h VAL 337 Ca 0.00 -0.16 -0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1b0j h VAL 337 Cb 0.24 0.63 -0.00 0.00 -2.01 0.00 0.00 31.29 30.15 1b0j h VAL 337 CO 0.00 0.08 -0.01 1.23 -1.01 0.00 0.00 177.57 177.86 1b0j h GLY 338 N 0.43 0.00 0.00 3.17 0.00 -1.76 -2.25 103.07 102.66 1b0j h GLY 338 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.11 1b0j h GLY 338 CO -0.02 0.00 -2.26 1.44 0.00 0.00 0.00 176.54 175.70 1b0j n SER 339 N -3.27 0.57 0.00 0.19 7.64 -0.96 -3.66 113.62 114.14 1b0j n SER 339 Ca -0.02 -0.01 -0.13 0.00 1.01 0.00 0.00 58.87 59.72 1b0j n SER 339 Cb 0.11 0.88 -0.09 0.00 -1.01 0.00 0.00 64.21 64.11 1b0j n SER 339 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1b0j h VAL 340 N 0.00 1.28 -0.51 0.44 2.07 -1.39 -1.02 116.25 117.11 1b0j h VAL 340 Ca -0.50 -0.88 0.10 0.00 0.82 0.00 0.00 66.70 66.24 1b0j h VAL 340 Cb 2.11 1.87 -0.08 0.00 -1.52 0.00 0.00 31.29 33.67 1b0j h VAL 340 CO 0.02 0.23 0.01 0.00 0.02 0.00 0.00 177.57 177.84 1b0j h ALA 341 N 0.59 0.50 -0.52 1.67 0.00 -1.63 0.67 119.26 120.53 1b0j h ALA 341 Ca -0.00 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1b0j h ALA 341 Cb 0.38 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1b0j h ALA 341 CO 0.00 -0.38 0.32 1.49 0.00 0.00 0.00 179.25 180.68 1b0j h GLU 342 N 0.12 0.63 -0.62 0.00 4.81 -1.62 0.22 114.58 118.12 1b0j h GLU 342 Ca 0.26 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1b0j h GLU 342 Cb 0.40 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1b0j h GLU 342 CO -0.43 0.42 0.27 -0.22 -0.73 0.00 0.00 179.01 178.32 1b0j h LYS 343 N 0.65 0.91 -0.01 1.92 3.64 -0.31 -3.28 116.57 120.10 1b0j h LYS 343 Ca 0.21 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1b0j h LYS 343 Cb -0.01 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1b0j h LYS 343 CO -0.08 0.76 -0.20 -1.91 -2.27 0.00 0.00 179.45 175.75 1b0j n GLU 344 N -4.47 0.86 -1.03 1.90 4.07 0.23 -4.95 120.64 117.25 1b0j n GLU 344 Ca 0.04 -0.46 -0.01 0.00 -0.06 0.00 0.00 57.16 56.67 1b0j n GLU 344 Cb 0.15 -1.49 -0.00 0.00 -0.06 0.00 0.00 31.44 30.03 1b0j n GLU 344 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1b0j n GLY 345 N 1.31 0.47 3.74 8.31 0.00 0.63 -5.01 105.19 114.64 1b0j n GLY 345 Ca 0.13 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 1b0j n GLY 345 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1b0j s TRP 346 N -2.02 3.78 0.21 1.61 0.51 -0.44 -4.99 118.94 117.61 1b0j s TRP 346 Ca 0.00 1.77 -0.31 0.00 -2.12 0.00 0.00 56.10 55.44 1b0j s TRP 346 Cb 0.00 -3.10 -0.11 0.00 -0.81 0.00 0.00 33.47 29.45 1b0j s TRP 346 CO 0.00 0.02 1.57 -2.14 -0.51 0.00 0.00 176.95 175.89 1b0j s PRO 347 N -0.37 4.20 0.23 4.98 0.02 -1.26 -4.43 135.00 138.37 1b0j s PRO 347 Ca 0.46 2.42 0.23 0.00 0.02 0.00 0.00 61.00 64.14 1b0j s PRO 347 Cb -0.26 -3.11 0.26 0.00 0.02 0.00 0.00 34.50 31.41 1b0j s PRO 347 CO 0.32 -0.59 1.33 -0.07 -0.33 0.00 0.00 177.00 177.66 1b0j h LEU 348 N 6.11 0.00 -9.43 -5.54 -0.00 -1.94 -3.42 115.31 101.09 1b0j h LEU 348 Ca -0.44 -0.06 -0.57 0.00 -0.00 0.00 0.00 57.88 56.81 1b0j h LEU 348 Cb 1.21 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.81 1b0j h LEU 348 CO 0.87 0.03 -0.05 1.51 -0.00 0.00 0.00 178.44 180.81 1b0j s ASP 349 N -5.14 6.87 -0.23 -0.43 -4.77 -1.26 -1.36 116.67 110.35 1b0j s ASP 349 Ca 0.04 1.04 -0.15 0.00 -3.30 0.00 0.00 52.55 50.18 1b0j s ASP 349 Cb 0.10 -2.34 -0.04 0.00 -1.09 0.00 0.00 42.92 39.55 1b0j s ASP 349 CO 0.72 0.04 0.37 -0.63 0.70 0.00 0.00 175.17 176.37 1b0j s ILE 350 N 0.23 5.20 -0.15 2.11 1.01 -0.33 -3.91 121.20 125.36 1b0j s ILE 350 Ca 0.30 0.62 -0.22 0.00 0.00 0.00 0.00 60.65 61.36 1b0j s ILE 350 Cb -0.17 -3.70 -0.19 0.00 0.01 0.00 0.00 42.46 38.41 1b0j s ILE 350 CO 0.15 0.23 0.46 0.03 0.00 0.00 0.00 174.94 175.80 1b0j h ARG 351 N 7.65 0.00 -4.47 2.79 2.47 -1.46 -3.42 114.38 117.94 1b0j h ARG 351 Ca -0.35 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.01 1b0j h ARG 351 Cb 1.16 0.00 -0.29 0.00 -1.65 0.00 0.00 29.97 29.19 1b0j h ARG 351 CO 0.69 0.79 -0.77 0.08 0.56 0.00 0.00 179.97 181.33 1b0j s VAL 352 N -2.16 0.55 -0.15 2.04 1.01 -1.26 -1.00 120.40 119.44 1b0j s VAL 352 Ca -0.19 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1b0j s VAL 352 Cb -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.90 1b0j s VAL 352 CO 0.54 0.16 -0.17 -0.83 0.00 0.00 0.00 175.10 174.80 1b0j s GLY 353 N -0.08 1.44 -0.27 4.51 0.00 0.50 -2.01 107.32 111.41 1b0j s GLY 353 Ca 0.02 -1.04 0.03 0.00 0.00 0.00 0.00 44.72 43.72 1b0j s GLY 353 CO -0.00 -0.03 -0.07 1.08 0.00 0.00 0.00 173.10 174.08 1b0j s LEU 354 N 0.75 3.62 -0.02 0.66 1.43 -0.53 -1.82 118.68 122.77 1b0j s LEU 354 Ca -0.07 -1.54 -0.03 0.00 -1.03 0.00 0.00 54.13 51.46 1b0j s LEU 354 Cb -0.16 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 1b0j s LEU 354 CO 0.01 -0.24 0.16 0.27 0.23 0.00 0.00 176.35 176.78 1b0j s ILE 355 N 1.09 5.29 -5.00 -0.59 -4.36 -0.85 -1.61 121.20 115.18 1b0j s ILE 355 Ca -0.04 -0.17 0.00 0.00 -0.26 0.00 0.00 60.65 60.17 1b0j s ILE 355 Cb -0.20 -3.44 0.00 0.00 1.25 0.00 0.00 42.46 40.07 1b0j s ILE 355 CO -0.06 0.36 0.00 0.61 0.24 0.00 0.00 174.94 176.09 1b0j n GLY 356 N 1.10 0.64 0.78 6.27 0.00 -1.21 -1.88 105.19 110.90 1b0j n GLY 356 Ca -0.12 -1.61 0.10 0.00 0.00 0.00 0.00 46.02 44.38 1b0j n GLY 356 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1b0j n SER 357 N 0.00 -4.46 0.16 1.61 3.41 -1.26 -3.39 113.62 109.69 1b0j n SER 357 Ca 0.00 0.70 0.11 0.00 -0.26 0.00 0.00 58.87 59.41 1b0j n SER 357 Cb 0.00 -2.63 0.57 0.00 -0.26 0.00 0.00 64.21 61.89 1b0j n SER 357 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b0j h THR 359 N 0.00 1.57 -0.65 0.00 2.02 -1.86 -3.42 112.91 110.57 1b0j h THR 359 Ca 0.00 -3.23 -0.32 0.00 0.77 0.00 0.00 66.41 63.63 1b0j h THR 359 Cb 0.04 2.77 -0.23 0.00 -1.74 0.00 0.00 68.15 68.99 1b0j h THR 359 CO 0.00 0.89 -0.69 0.59 0.37 0.00 0.00 175.52 176.69 1b0j n ASN 360 N -3.32 -1.33 -0.27 4.18 4.13 -0.71 -4.60 115.26 113.34 1b0j n ASN 360 Ca -0.00 -3.48 0.06 0.00 1.68 0.00 0.00 54.58 52.84 1b0j n ASN 360 Cb 0.91 1.11 0.09 0.00 -1.54 0.00 0.00 39.78 40.36 1b0j n ASN 360 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1b0j n SER 361 N 0.34 1.48 -4.96 6.41 3.41 -1.10 -3.31 113.62 115.89 1b0j n SER 361 Ca 0.12 -2.72 -0.23 0.00 -0.26 0.00 0.00 58.87 55.79 1b0j n SER 361 Cb 0.69 -0.35 0.04 0.00 -0.26 0.00 0.00 64.21 64.33 1b0j n SER 361 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1b0j s SER 362 N -2.22 5.20 0.27 4.04 1.04 -1.26 -2.13 113.70 118.63 1b0j s SER 362 Ca 0.21 0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.80 1b0j s SER 362 Cb 0.19 -1.01 0.59 0.00 0.10 0.00 0.00 66.02 65.88 1b0j s SER 362 CO 0.01 -1.24 1.69 0.22 0.98 0.00 0.00 173.24 174.90 1b0j h TYR 363 N -0.10 0.44 -0.45 5.02 3.20 -1.94 -0.67 116.97 122.48 1b0j h TYR 363 Ca -0.43 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.40 1b0j h TYR 363 Cb 1.30 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.49 1b0j h TYR 363 CO 0.37 -0.07 -0.04 1.49 -1.64 0.00 0.00 178.16 178.27 1b0j h GLU 364 N 0.33 0.81 -0.13 1.82 4.81 -1.75 -1.98 114.58 118.49 1b0j h GLU 364 Ca 0.48 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1b0j h GLU 364 Cb 0.87 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1b0j h GLU 364 CO -0.53 0.90 0.09 -0.44 -0.73 0.00 0.00 179.01 178.30 1b0j h ASP 365 N 0.65 0.15 -1.00 1.04 3.32 -1.54 -0.71 116.42 118.33 1b0j h ASP 365 Ca 0.12 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.21 1b0j h ASP 365 Cb 0.56 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 1b0j h ASP 365 CO 0.03 0.11 0.65 0.24 -1.72 0.00 0.00 179.24 178.56 1b0j h MET 366 N 0.18 1.21 0.02 3.56 2.86 -1.20 -1.92 114.93 119.65 1b0j h MET 366 Ca 0.05 -0.07 -0.26 0.00 -2.06 0.00 0.00 59.70 57.35 1b0j h MET 366 Cb -0.02 -0.27 0.02 0.00 0.06 0.00 0.00 31.60 31.38 1b0j h MET 366 CO -0.01 0.80 -1.06 0.78 1.06 0.00 0.00 176.91 178.48 1b0j h GLY 367 N 1.25 0.67 0.92 8.32 0.00 -1.05 -1.06 103.07 112.12 1b0j h GLY 367 Ca 0.40 -1.22 -0.01 0.00 0.00 0.00 0.00 47.33 46.50 1b0j h GLY 367 CO -0.13 1.08 -0.16 3.21 0.00 0.00 0.00 176.54 180.54 1b0j h ARG 368 N 0.32 -0.38 -0.38 4.80 3.08 -1.12 -1.79 114.38 118.91 1b0j h ARG 368 Ca -0.13 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.03 1b0j h ARG 368 Cb 1.71 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 31.76 1b0j h ARG 368 CO 0.20 -0.26 -0.19 0.77 -1.07 0.00 0.00 179.97 179.42 1b0j h SER 369 N -0.40 -0.64 -0.98 7.04 0.02 -1.37 -2.07 113.55 115.14 1b0j h SER 369 Ca -0.02 0.15 0.21 0.00 -0.84 0.00 0.00 61.79 61.28 1b0j h SER 369 Cb 0.33 0.35 -0.09 0.00 0.14 0.00 0.00 62.40 63.13 1b0j h SER 369 CO 0.02 -0.22 0.62 0.00 -1.14 0.00 0.00 176.83 176.11 1b0j h ALA 370 N 1.14 1.89 0.00 3.77 0.00 -1.05 -1.95 119.26 123.07 1b0j h ALA 370 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1b0j h ALA 370 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1b0j h ALA 370 CO -0.46 -0.25 0.00 0.00 0.00 0.00 0.00 179.25 178.54 1b0j h ALA 371 N 1.63 1.00 0.00 0.00 0.00 -0.58 -0.35 119.26 120.97 1b0j h ALA 371 Ca 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.41 1b0j h ALA 371 Cb 1.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1b0j h ALA 371 CO -0.32 0.00 -0.31 0.28 0.00 0.00 0.00 179.25 178.90 1b0j h VAL 372 N 0.00 1.58 -0.66 0.00 2.07 -1.36 -3.34 116.25 114.54 1b0j h VAL 372 Ca 0.00 -2.31 0.13 0.00 0.82 0.00 0.00 66.70 65.34 1b0j h VAL 372 Cb 0.48 3.11 -0.09 0.00 -1.52 0.00 0.00 31.29 33.26 1b0j h VAL 372 CO 0.00 0.54 0.17 0.00 0.02 0.00 0.00 177.57 178.29 1b0j h ALA 373 N -0.12 0.83 0.00 1.67 0.00 -1.08 -0.35 119.26 120.21 1b0j h ALA 373 Ca -0.09 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1b0j h ALA 373 Cb 1.08 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1b0j h ALA 373 CO -0.05 -0.30 -0.04 1.57 0.00 0.00 0.00 179.25 180.43 1b0j h LYS 374 N 0.29 0.00 -0.08 0.00 5.09 -1.22 -1.77 116.57 118.88 1b0j h LYS 374 Ca 0.36 0.00 -0.21 0.00 0.09 0.00 0.00 60.65 60.89 1b0j h LYS 374 Cb 0.55 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.88 1b0j h LYS 374 CO -0.43 0.04 -0.81 1.96 -2.09 0.00 0.00 179.45 178.12 1b0j h GLN 375 N 0.00 0.54 -0.16 0.07 4.20 -1.19 -1.11 115.11 117.47 1b0j h GLN 375 Ca -0.00 -0.47 -0.03 0.00 0.06 0.00 0.00 58.65 58.21 1b0j h GLN 375 Cb 0.19 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1b0j h GLN 375 CO 0.01 1.10 -0.02 0.00 -0.67 0.00 0.00 178.83 179.25 1b0j h ALA 376 N 0.76 0.21 -0.60 3.87 0.00 -1.05 -3.01 119.26 119.44 1b0j h ALA 376 Ca -0.05 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.73 1b0j h ALA 376 Cb 1.41 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 1b0j h ALA 376 CO 0.15 -0.06 0.22 -0.07 0.00 0.00 0.00 179.25 179.50 1b0j h LEU 377 N 0.01 0.23 -1.40 0.00 3.38 -1.28 -1.33 115.31 114.91 1b0j h LEU 377 Ca 0.04 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1b0j h LEU 377 Cb 0.42 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1b0j h LEU 377 CO 0.01 0.14 0.34 0.00 0.09 0.00 0.00 178.44 179.02 1b0j h ALA 378 N 1.41 1.29 -0.22 1.53 0.00 -1.06 -0.30 119.26 121.91 1b0j h ALA 378 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1b0j h ALA 378 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1b0j h ALA 378 CO -0.30 -0.29 0.00 0.72 0.00 0.00 0.00 179.25 179.38 1b0j n HIS 379 N -2.48 0.44 -3.12 0.00 8.25 -0.62 -4.98 115.22 112.70 1b0j n HIS 379 Ca -0.01 -0.64 -0.16 0.00 -0.26 0.00 0.00 57.72 56.65 1b0j n HIS 379 Cb 0.37 -0.11 0.05 0.00 1.12 0.00 0.00 29.99 31.42 1b0j n HIS 379 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b0j n GLY 380 N -0.13 -0.08 3.57 -1.41 0.00 -0.12 -1.01 105.19 106.01 1b0j n GLY 380 Ca 0.12 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1b0j n GLY 380 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b0j s LEU 381 N -5.12 3.01 0.22 0.99 1.43 -0.60 -4.58 118.68 114.02 1b0j s LEU 381 Ca 0.35 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1b0j s LEU 381 Cb -0.15 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 1b0j s LEU 381 CO 0.43 0.14 0.10 -0.54 0.23 0.00 0.00 176.35 176.72 1b0j s LYS 382 N -2.51 1.27 0.03 1.70 1.02 -1.26 -3.64 119.74 116.35 1b0j s LYS 382 Ca 0.23 -1.67 -0.35 0.00 0.02 0.00 0.00 55.97 54.20 1b0j s LYS 382 Cb -0.10 0.01 -0.14 0.00 -0.52 0.00 0.00 37.83 37.08 1b0j s LYS 382 CO 0.14 -0.33 1.62 0.00 -0.92 0.00 0.00 175.35 175.86 1b0j h LYS 384 N 6.55 0.00 -6.59 0.00 3.11 -0.85 -3.46 116.57 115.32 1b0j h LYS 384 Ca -0.47 0.00 -0.44 0.00 -2.81 0.00 0.00 60.65 56.94 1b0j h LYS 384 Cb 1.28 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 32.55 1b0j h LYS 384 CO 0.89 0.15 -0.17 -1.12 -2.81 0.00 0.00 179.45 176.39 1b0j s SER 385 N -5.99 5.43 0.32 4.20 0.01 -0.09 -4.89 113.70 112.68 1b0j s SER 385 Ca 0.03 -0.38 -0.28 0.00 1.31 0.00 0.00 55.95 56.64 1b0j s SER 385 Cb 0.07 -0.55 -0.09 0.00 0.21 0.00 0.00 66.02 65.66 1b0j s SER 385 CO 0.74 -0.98 1.08 -1.58 0.41 0.00 0.00 173.24 172.90 1b0j s GLN 386 N -4.53 4.49 -0.10 12.44 0.74 -0.17 -4.89 119.66 127.64 1b0j s GLN 386 Ca 0.57 1.70 -0.01 0.00 0.05 0.00 0.00 55.36 57.67 1b0j s GLN 386 Cb -0.09 -2.98 0.03 0.00 1.10 0.00 0.00 33.01 31.07 1b0j s GLN 386 CO 0.36 0.10 -0.06 0.12 -0.55 0.00 0.00 175.29 175.26 1b0j s PHE 387 N -1.33 1.30 0.06 1.67 5.36 -1.26 -0.37 117.98 123.42 1b0j s PHE 387 Ca 0.49 -0.61 0.09 0.00 -0.96 0.00 0.00 56.93 55.94 1b0j s PHE 387 Cb -0.28 -1.14 -0.03 0.00 -0.34 0.00 0.00 43.02 41.23 1b0j s PHE 387 CO 0.36 -0.47 -0.25 0.95 -1.46 0.00 0.00 175.22 174.35 1b0j s THR 388 N 1.77 2.06 -0.18 0.12 -4.23 -0.75 -0.79 115.64 113.63 1b0j s THR 388 Ca 0.05 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1b0j s THR 388 Cb -0.12 -1.79 0.04 0.00 1.34 0.00 0.00 72.50 71.97 1b0j s THR 388 CO -0.08 0.27 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.56 1b0j s ILE 389 N -0.87 1.42 -0.29 2.99 1.09 0.12 -2.01 121.20 123.66 1b0j s ILE 389 Ca 0.11 -0.83 -0.10 0.00 -1.10 0.00 0.00 60.65 58.73 1b0j s ILE 389 Cb -0.10 -1.53 -0.03 0.00 -1.06 0.00 0.00 42.46 39.74 1b0j s ILE 389 CO 0.03 0.17 0.17 -0.89 -0.10 0.00 0.00 174.94 174.32 1b0j s THR 390 N 1.50 4.96 0.50 2.92 2.01 -0.79 -1.45 115.64 125.29 1b0j s THR 390 Ca -0.00 -0.09 -0.23 0.00 0.31 0.00 0.00 61.69 61.68 1b0j s THR 390 Cb -0.16 -3.42 -0.06 0.00 0.01 0.00 0.00 72.50 68.87 1b0j s THR 390 CO -0.08 0.18 1.28 -2.84 -0.69 0.00 0.00 174.62 172.47 1b0j s PRO 391 N 1.69 3.46 0.45 4.92 0.02 -1.26 -4.31 135.00 139.96 1b0j s PRO 391 Ca 0.06 2.04 0.25 0.00 0.02 0.00 0.00 61.00 63.37 1b0j s PRO 391 Cb -0.16 -2.36 0.65 0.00 0.02 0.00 0.00 34.50 32.65 1b0j s PRO 391 CO 0.08 -0.87 1.71 0.78 -0.33 0.00 0.00 177.00 178.38 1b0j h GLY 392 N 1.80 0.00 -2.15 0.52 0.00 -1.79 -3.39 103.07 98.05 1b0j h GLY 392 Ca -0.50 0.00 0.14 0.00 0.00 0.00 0.00 47.33 46.97 1b0j h GLY 392 CO 0.59 0.00 0.41 -1.35 0.00 0.00 0.00 176.54 176.19 1b0j s SER 393 N -6.11 -0.18 0.17 0.19 1.04 -1.26 -1.77 113.70 105.78 1b0j s SER 393 Ca 0.04 -0.51 -0.14 0.00 0.48 0.00 0.00 55.95 55.82 1b0j s SER 393 Cb 0.07 0.57 0.07 0.00 0.10 0.00 0.00 66.02 66.83 1b0j s SER 393 CO 0.64 -1.06 1.82 -0.08 0.98 0.00 0.00 173.24 175.55 1b0j h GLU 394 N 2.00 0.62 -0.70 4.02 4.57 -1.15 -1.09 114.58 122.86 1b0j h GLU 394 Ca -0.23 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 57.97 1b0j h GLU 394 Cb 1.24 -0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 29.63 1b0j h GLU 394 CO 0.26 0.41 0.39 0.37 -1.18 0.00 0.00 179.01 179.26 1b0j h GLN 395 N 0.64 0.70 -0.28 1.92 4.15 -1.77 0.21 115.11 120.68 1b0j h GLN 395 Ca 0.19 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.47 1b0j h GLN 395 Cb -0.03 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 1b0j h GLN 395 CO -0.06 0.46 -0.22 0.82 -1.93 0.00 0.00 178.83 177.90 1b0j h ILE 396 N 0.72 1.30 0.42 2.39 2.04 -1.77 -1.38 117.51 121.24 1b0j h ILE 396 Ca 0.32 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 1b0j h ILE 396 Cb 0.21 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1b0j h ILE 396 CO -0.19 0.43 -0.32 -0.09 0.00 0.00 0.00 178.15 177.99 1b0j h ARG 397 N 0.39 -0.70 -0.58 2.37 2.43 -0.69 -0.15 114.38 117.44 1b0j h ARG 397 Ca 0.05 0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 1b0j h ARG 397 Cb 0.77 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.42 1b0j h ARG 397 CO 0.06 -0.47 0.29 0.00 -1.51 0.00 0.00 179.97 178.34 1b0j h ALA 398 N -0.25 0.76 -0.13 2.80 0.00 -0.64 -2.70 119.26 119.10 1b0j h ALA 398 Ca -0.04 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1b0j h ALA 398 Cb 0.62 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1b0j h ALA 398 CO 0.00 -0.06 -0.75 1.15 0.00 0.00 0.00 179.25 179.60 1b0j h THR 399 N 0.55 1.30 0.00 0.00 2.02 -1.04 -2.58 112.91 113.16 1b0j h THR 399 Ca 0.26 -1.97 -0.02 0.00 0.77 0.00 0.00 66.41 65.45 1b0j h THR 399 Cb 0.19 2.08 -0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1b0j h THR 399 CO -0.19 0.62 -0.10 0.16 0.37 0.00 0.00 175.52 176.38 1b0j h ILE 400 N 0.43 0.29 0.33 3.11 3.07 -0.94 0.52 117.51 124.31 1b0j h ILE 400 Ca -0.06 -0.71 -0.02 0.00 1.55 0.00 0.00 64.86 65.63 1b0j h ILE 400 Cb 1.38 1.55 0.00 0.00 -0.27 0.00 0.00 36.82 39.49 1b0j h ILE 400 CO 0.15 0.10 -0.16 -0.08 -1.05 0.00 0.00 178.15 177.11 1b0j h GLU 401 N 0.00 -0.43 -0.57 0.16 4.57 -1.48 0.26 114.58 117.10 1b0j h GLU 401 Ca -0.00 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1b0j h GLU 401 Cb 0.54 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 1b0j h GLU 401 CO 0.01 -0.15 0.25 -0.09 -1.18 0.00 0.00 179.01 177.85 1b0j h ARG 402 N -0.68 0.83 -0.07 1.92 1.12 -1.10 -2.53 114.38 113.87 1b0j h ARG 402 Ca -0.05 -0.14 0.00 0.00 -1.11 0.00 0.00 59.98 58.69 1b0j h ARG 402 Cb 0.48 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.29 1b0j h ARG 402 CO 0.07 0.70 0.00 -0.25 -3.11 0.00 0.00 179.97 177.38 1b0j n ASP 403 N -4.52 0.19 0.00 -3.80 8.00 0.14 -4.89 116.55 111.68 1b0j n ASP 403 Ca 0.03 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.53 1b0j n ASP 403 Cb 0.14 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1b0j n ASP 403 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b0j n GLY 404 N 0.52 0.82 0.07 0.44 0.00 -0.95 -4.97 105.19 101.11 1b0j n GLY 404 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1b0j n GLY 404 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1b0j h TYR 405 N 0.00 0.07 -0.88 1.61 0.05 -0.70 -3.19 116.97 113.93 1b0j h TYR 405 Ca 0.00 -0.03 0.17 0.00 0.05 0.00 0.00 58.73 58.92 1b0j h TYR 405 Cb 0.00 -0.01 -0.07 0.00 1.01 0.00 0.00 36.73 37.66 1b0j h TYR 405 CO 0.00 0.73 0.58 0.00 -1.05 0.00 0.00 178.16 178.41 1b0j h ALA 406 N 0.33 2.02 -0.18 3.88 0.00 -1.72 -2.04 119.26 121.55 1b0j h ALA 406 Ca -0.00 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1b0j h ALA 406 Cb 0.73 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1b0j h ALA 406 CO 0.01 -0.29 -0.58 0.37 0.00 0.00 0.00 179.25 178.76 1b0j h GLN 407 N 0.53 0.57 -0.27 0.00 5.75 -1.83 -1.38 115.11 118.48 1b0j h GLN 407 Ca 0.45 -0.37 0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1b0j h GLN 407 Cb 0.95 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 1b0j h GLN 407 CO -0.19 0.99 0.14 0.28 -2.65 0.00 0.00 178.83 177.40 1b0j h VAL 408 N 0.43 1.01 -0.58 2.39 2.07 -1.38 0.88 116.25 121.06 1b0j h VAL 408 Ca 0.00 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1b0j h VAL 408 Cb 1.13 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1b0j h VAL 408 CO 0.11 0.05 0.27 -0.07 0.02 0.00 0.00 177.57 177.95 1b0j h LEU 409 N 0.30 0.77 -0.07 2.57 3.38 -1.42 -2.31 115.31 118.53 1b0j h LEU 409 Ca 0.11 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1b0j h LEU 409 Cb 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1b0j h LEU 409 CO -0.07 0.69 0.03 0.03 0.09 0.00 0.00 178.44 179.21 1b0j h ARG 410 N 0.79 0.06 -0.02 1.13 3.08 -1.03 -2.36 114.38 116.03 1b0j h ARG 410 Ca 0.20 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.25 1b0j h ARG 410 Cb 0.14 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1b0j h ARG 410 CO -0.02 0.04 0.02 -0.44 -1.07 0.00 0.00 179.97 178.49 1b0j h ASP 411 N 0.06 0.00 0.33 7.04 3.32 -0.56 -1.20 116.42 125.41 1b0j h ASP 411 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1b0j h ASP 411 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1b0j h ASP 411 CO -0.02 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.83 1b0j n VAL 412 N -4.26 0.06 0.00 -1.35 0.24 -0.89 -4.91 118.33 107.21 1b0j n VAL 412 Ca -0.03 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1b0j n VAL 412 Cb 0.11 -0.55 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 1b0j n VAL 412 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1b0j n GLY 413 N 0.99 1.67 3.94 7.63 0.00 -0.45 -0.51 105.19 118.46 1b0j n GLY 413 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1b0j n GLY 413 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b0j s GLY 414 N -2.00 1.61 -0.16 -0.02 0.00 -0.89 -4.26 107.32 101.59 1b0j s GLY 414 Ca 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 44.72 43.69 1b0j s GLY 414 CO 0.00 -0.99 -0.07 -1.50 0.00 0.00 0.00 173.10 170.54 1b0j s ILE 415 N -1.86 3.47 -0.32 0.90 1.10 0.03 -4.45 121.20 120.07 1b0j s ILE 415 Ca 0.36 -0.50 -0.24 0.00 -0.51 0.00 0.00 60.65 59.76 1b0j s ILE 415 Cb -0.11 -2.52 0.00 0.00 0.15 0.00 0.00 42.46 39.99 1b0j s ILE 415 CO 0.29 0.48 0.81 -0.69 -2.11 0.00 0.00 174.94 173.73 1b0j s VAL 416 N 0.66 4.76 0.74 4.00 1.01 -1.26 -0.70 120.40 129.61 1b0j s VAL 416 Ca -0.04 1.18 -0.03 0.00 0.00 0.00 0.00 61.98 63.10 1b0j s VAL 416 Cb -0.15 -4.18 0.13 0.00 0.00 0.00 0.00 36.38 32.18 1b0j s VAL 416 CO 0.02 -0.29 1.02 -0.76 0.00 0.00 0.00 175.10 175.09 1b0j s LEU 417 N 3.03 2.96 0.79 3.92 1.43 -0.53 -0.84 118.68 129.44 1b0j s LEU 417 Ca 0.33 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 1b0j s LEU 417 Cb -0.14 -2.14 0.07 0.00 0.03 0.00 0.00 46.19 44.01 1b0j s LEU 417 CO 0.13 -1.90 1.12 0.00 0.23 0.00 0.00 176.35 175.93 1b0j s ALA 418 N -3.21 2.07 -1.25 4.21 0.00 -1.26 -4.34 121.76 117.97 1b0j s ALA 418 Ca 0.66 0.44 -0.19 0.00 0.00 0.00 0.00 51.96 52.87 1b0j s ALA 418 Cb -0.06 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.75 1b0j s ALA 418 CO 0.45 -1.97 1.77 -0.80 0.00 0.00 0.00 175.76 175.22 1b0j s ASN 419 N -2.98 6.37 0.21 0.00 0.01 -1.26 -4.66 114.94 112.63 1b0j s ASN 419 Ca 0.65 -2.19 -0.19 0.00 -0.71 0.00 0.00 52.86 50.41 1b0j s ASN 419 Cb -0.20 -2.58 0.04 0.00 0.41 0.00 0.00 41.25 38.91 1b0j s ASN 419 CO 0.54 -1.67 0.59 0.00 -1.51 0.00 0.00 177.10 175.05 1b0j s ALA 420 N 5.97 -1.14 0.11 0.60 0.00 -1.26 -3.64 121.76 122.40 1b0j s ALA 420 Ca 0.57 -0.09 -0.33 0.00 0.00 0.00 0.00 51.96 52.11 1b0j s ALA 420 Cb 0.03 0.86 -0.12 0.00 0.00 0.00 0.00 23.12 23.89 1b0j s ALA 420 CO 0.08 -0.85 1.58 0.00 0.00 0.00 0.00 175.76 176.56 1b0j n GLY 422 N -1.49 3.32 0.50 0.00 0.00 -1.26 -2.81 105.19 103.45 1b0j n GLY 422 Ca -0.08 -0.13 0.34 0.00 0.00 0.00 0.00 46.02 46.15 1b0j n GLY 422 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1b0j h PRO 423 N 0.00 0.13 -0.59 1.61 0.11 -1.90 0.67 132.00 132.04 1b0j h PRO 423 Ca 0.00 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 1b0j h PRO 423 Cb 0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 1b0j h PRO 423 CO 0.00 0.09 0.03 0.00 -0.21 0.00 0.00 178.00 177.91 1b0j n ILE 425 N -4.25 2.88 -2.35 0.00 -6.64 -0.86 -4.68 119.36 103.46 1b0j n ILE 425 Ca 0.03 -1.62 -0.08 0.00 -1.77 0.00 0.00 62.75 59.30 1b0j n ILE 425 Cb 0.32 -0.45 0.00 0.00 -1.44 0.00 0.00 39.64 38.07 1b0j n ILE 425 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1b0j n GLY 426 N -0.54 0.12 2.94 3.28 0.00 -0.82 -1.74 105.19 108.43 1b0j n GLY 426 Ca 0.46 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1b0j n GLY 426 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1b0j n GLN 427 N -1.90 4.61 -4.27 1.61 1.13 0.17 -4.43 117.38 114.31 1b0j n GLN 427 Ca -0.07 -4.58 -0.17 0.00 -1.94 0.00 0.00 57.00 50.24 1b0j n GLN 427 Cb 0.56 -2.50 -0.14 0.00 0.11 0.00 0.00 30.24 28.27 1b0j n GLN 427 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 1b0j s TRP 428 N -3.04 0.76 -0.92 1.08 -0.00 -1.26 -0.03 118.94 115.53 1b0j s TRP 428 Ca 0.32 -0.21 -0.02 0.00 -0.00 0.00 0.00 56.10 56.19 1b0j s TRP 428 Cb 0.07 -0.47 0.24 0.00 -0.00 0.00 0.00 33.47 33.31 1b0j s TRP 428 CO 0.07 -0.02 0.90 -3.47 -0.00 0.00 0.00 176.95 174.44 1b0j n ASP 429 N 2.56 4.57 -4.67 5.86 2.03 0.53 -4.85 116.55 122.59 1b0j n ASP 429 Ca -0.15 -3.19 -0.42 0.00 0.52 0.00 0.00 54.79 51.54 1b0j n ASP 429 Cb 0.57 -1.07 -0.03 0.00 -0.72 0.00 0.00 41.12 39.87 1b0j n ASP 429 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1b0j s ARG 430 N -1.68 4.30 0.00 -0.67 6.06 -1.26 -4.84 118.95 120.87 1b0j s ARG 430 Ca 0.30 1.20 0.00 0.00 -2.50 0.00 0.00 55.73 54.73 1b0j s ARG 430 Cb -0.03 -3.59 0.00 0.00 0.06 0.00 0.00 34.95 31.38 1b0j s ARG 430 CO -0.08 -0.44 0.74 1.63 -2.50 0.00 0.00 175.30 174.65 1b0j n LYS 431 N 5.59 1.50 0.00 5.12 5.02 -1.26 -4.75 118.16 129.38 1b0j n LYS 431 Ca 0.08 -1.00 0.09 0.00 -2.02 0.00 0.00 58.31 55.46 1b0j n LYS 431 Cb 0.48 -0.79 0.39 0.00 -0.02 0.00 0.00 35.03 35.09 1b0j n LYS 431 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1b0j n ASP 432 N -0.26 0.00 -4.17 4.39 5.75 -1.26 -4.81 116.55 116.19 1b0j n ASP 432 Ca 0.00 0.44 -0.20 0.00 -0.01 0.00 0.00 54.79 55.03 1b0j n ASP 432 Cb 0.33 -0.47 -0.13 0.00 -1.03 0.00 0.00 41.12 39.82 1b0j n ASP 432 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1b0j s ILE 433 N -2.95 1.16 0.56 2.12 -5.25 -1.26 -5.14 121.20 110.44 1b0j s ILE 433 Ca 0.10 -1.16 -0.10 0.00 -0.99 0.00 0.00 60.65 58.49 1b0j s ILE 433 Cb 0.12 -1.08 -0.05 0.00 2.95 0.00 0.00 42.46 44.40 1b0j s ILE 433 CO 0.32 -0.09 0.95 -1.59 -1.79 0.00 0.00 174.94 172.74 1b0j s LYS 434 N -1.42 3.64 0.61 0.37 0.00 -1.26 -4.97 119.74 116.71 1b0j s LYS 434 Ca 0.01 0.62 -0.18 0.00 0.00 0.00 0.00 55.97 56.42 1b0j s LYS 434 Cb -0.09 -2.18 -0.03 0.00 0.00 0.00 0.00 37.83 35.53 1b0j s LYS 434 CO 0.02 -0.40 1.20 0.21 0.00 0.00 0.00 175.35 176.38 1b0j s LYS 435 N -4.84 2.88 0.00 1.78 2.47 -1.26 -2.04 119.74 118.73 1b0j s LYS 435 Ca 0.53 1.80 0.00 0.00 -1.56 0.00 0.00 55.97 56.74 1b0j s LYS 435 Cb -0.11 -1.92 0.00 0.00 -1.46 0.00 0.00 37.83 34.34 1b0j s LYS 435 CO 0.47 -1.27 0.00 0.41 0.16 0.00 0.00 175.35 175.12 1b0j n GLY 436 N 0.45 0.84 3.74 5.54 0.00 -1.26 -5.00 105.19 109.51 1b0j n GLY 436 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1b0j n GLY 436 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b0j s GLU 437 N -0.16 4.64 -0.17 1.61 2.12 -0.87 -4.84 118.70 121.04 1b0j s GLU 437 Ca 0.00 1.30 -0.18 0.00 0.36 0.00 0.00 54.97 56.45 1b0j s GLU 437 Cb 0.00 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 1b0j s GLU 437 CO 0.00 0.30 0.48 0.21 -0.54 0.00 0.00 175.26 175.71 1b0j s LYS 438 N -0.25 4.25 0.24 4.30 2.20 -1.26 -4.40 119.74 124.81 1b0j s LYS 438 Ca 0.42 0.39 -0.21 0.00 -0.36 0.00 0.00 55.97 56.22 1b0j s LYS 438 Cb -0.23 -3.50 0.03 0.00 -1.51 0.00 0.00 37.83 32.62 1b0j s LYS 438 CO 0.27 0.00 0.65 0.54 -0.36 0.00 0.00 175.35 176.46 1b0j s ASN 439 N 0.90 -0.33 -0.14 1.43 4.22 -1.10 -5.00 114.94 114.91 1b0j s ASN 439 Ca 0.24 -0.45 0.02 0.00 -2.14 0.00 0.00 52.86 50.52 1b0j s ASN 439 Cb -0.15 0.67 0.00 0.00 1.28 0.00 0.00 41.25 43.05 1b0j s ASN 439 CO 0.09 -1.20 -0.19 -0.89 -2.04 0.00 0.00 177.10 172.87 1b0j s THR 440 N -3.88 2.37 -0.08 0.54 2.01 -1.25 -0.91 115.64 114.44 1b0j s THR 440 Ca 0.09 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.22 1b0j s THR 440 Cb -0.04 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 1b0j s THR 440 CO 0.01 0.53 -0.12 0.27 -0.69 0.00 0.00 174.62 174.62 1b0j s ILE 441 N 0.76 3.24 -0.13 1.82 -4.36 -0.48 -1.17 121.20 120.87 1b0j s ILE 441 Ca -0.07 -0.63 -0.01 0.00 -0.26 0.00 0.00 60.65 59.67 1b0j s ILE 441 Cb -0.16 -2.32 -0.02 0.00 1.25 0.00 0.00 42.46 41.21 1b0j s ILE 441 CO 0.00 0.57 -0.08 0.68 0.24 0.00 0.00 174.94 176.34 1b0j s VAL 442 N -0.37 3.48 0.28 8.37 -7.23 -0.85 -2.37 120.40 121.72 1b0j s VAL 442 Ca 0.04 -0.51 0.09 0.00 -1.81 0.00 0.00 61.98 59.78 1b0j s VAL 442 Cb -0.12 -2.49 -0.06 0.00 0.56 0.00 0.00 36.38 34.27 1b0j s VAL 442 CO 0.02 0.52 -0.11 0.42 -0.31 0.00 0.00 175.10 175.65 1b0j s THR 443 N 0.20 1.97 -0.44 5.32 -4.23 -0.18 -1.45 115.64 116.82 1b0j s THR 443 Ca -0.05 -2.21 0.02 0.00 -1.18 0.00 0.00 61.69 58.27 1b0j s THR 443 Cb -0.14 -2.41 0.55 0.00 1.34 0.00 0.00 72.50 71.84 1b0j s THR 443 CO 0.04 -0.34 1.86 -1.54 -0.54 0.00 0.00 174.62 174.10 1b0j n SER 444 N -0.61 4.47 -2.06 3.99 3.41 -0.63 -0.40 113.62 121.78 1b0j n SER 444 Ca -0.06 -3.47 0.00 0.00 -0.26 0.00 0.00 58.87 55.08 1b0j n SER 444 Cb 0.62 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1b0j n SER 444 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1b0j n TYR 445 N -0.89 0.00 0.04 7.33 4.01 -1.26 -4.30 117.16 122.08 1b0j n TYR 445 Ca 0.54 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.28 1b0j n TYR 445 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.38 1b0j n TYR 445 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1b0j n ASN 446 N 0.00 0.28 -4.90 7.72 0.23 -1.26 -4.63 115.26 112.70 1b0j n ASN 446 Ca 0.00 0.12 -0.29 0.00 -0.53 0.00 0.00 54.58 53.88 1b0j n ASN 446 Cb 0.00 -0.03 -0.03 0.00 -2.08 0.00 0.00 39.78 37.64 1b0j n ASN 446 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1b0j s ARG 447 N -2.00 3.68 -0.04 -3.83 0.52 -1.26 -4.74 118.95 111.29 1b0j s ARG 447 Ca 0.00 0.13 0.18 0.00 -0.52 0.00 0.00 55.73 55.52 1b0j s ARG 447 Cb 0.00 -2.59 0.31 0.00 0.52 0.00 0.00 34.95 33.19 1b0j s ARG 447 CO 0.00 0.17 1.13 0.27 0.02 0.00 0.00 175.30 176.90 1b0j n ASN 448 N -0.92 0.35 -4.70 0.23 6.94 -1.26 -4.98 115.26 110.92 1b0j n ASN 448 Ca -0.01 -2.01 -0.39 0.00 -0.02 0.00 0.00 54.58 52.16 1b0j n ASN 448 Cb 0.54 -0.10 0.04 0.00 -2.36 0.00 0.00 39.78 37.90 1b0j n ASN 448 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1b0j n PHE 449 N 0.16 1.88 -1.65 -2.53 3.72 -1.26 -4.44 117.46 113.34 1b0j n PHE 449 Ca -0.05 0.45 -0.61 0.00 -0.05 0.00 0.00 57.45 57.18 1b0j n PHE 449 Cb 0.98 -2.30 -0.09 0.00 -0.94 0.00 0.00 39.48 37.12 1b0j n PHE 449 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1b0j n THR 450 N -1.12 0.14 -1.04 4.37 -1.04 -1.26 -2.23 114.28 112.10 1b0j n THR 450 Ca 0.11 -0.04 -0.01 0.00 -2.04 0.00 0.00 64.05 62.06 1b0j n THR 450 Cb 0.44 -0.88 -0.01 0.00 -1.82 0.00 0.00 70.33 68.06 1b0j n THR 450 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1b0j n GLY 451 N 4.75 0.46 0.10 3.41 0.00 -1.24 -4.91 105.19 107.75 1b0j n GLY 451 Ca 0.33 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 1b0j n GLY 451 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1b0j h ARG 452 N 0.55 0.00 0.00 1.61 2.43 -1.75 -0.24 114.38 116.98 1b0j h ARG 452 Ca -0.03 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1b0j h ARG 452 Cb 0.32 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1b0j h ARG 452 CO 0.04 0.82 -1.36 0.09 -1.51 0.00 0.00 179.97 178.05 1b0j n ASN 453 N -3.55 0.68 -0.50 -3.80 4.13 -1.26 -2.79 115.26 108.17 1b0j n ASN 453 Ca -0.00 0.28 0.00 0.00 1.68 0.00 0.00 54.58 56.53 1b0j n ASN 453 Cb 0.79 0.62 0.00 0.00 -1.54 0.00 0.00 39.78 39.65 1b0j n ASN 453 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1b0j n ASP 454 N -2.69 0.00 -1.52 6.41 5.68 -1.25 -4.19 116.55 118.99 1b0j n ASP 454 Ca -0.05 -1.63 -0.11 0.00 -0.50 0.00 0.00 54.79 52.50 1b0j n ASP 454 Cb 0.68 -0.13 -0.04 0.00 -1.14 0.00 0.00 41.12 40.49 1b0j n ASP 454 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b0j n ALA 455 N 0.00 -0.28 -2.97 2.12 0.00 -0.10 -4.95 120.51 114.33 1b0j n ALA 455 Ca 0.00 0.15 -0.39 0.00 0.00 0.00 0.00 53.44 53.20 1b0j n ALA 455 Cb 0.63 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.76 1b0j n ALA 455 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1b0j s ASN 456 N -1.92 5.52 0.60 0.00 2.47 -1.26 -4.91 114.94 115.44 1b0j s ASN 456 Ca 0.00 -0.89 0.30 0.00 0.42 0.00 0.00 52.86 52.69 1b0j s ASN 456 Cb 0.00 -1.97 1.81 0.00 -1.45 0.00 0.00 41.25 39.65 1b0j s ASN 456 CO 0.00 -0.31 2.21 1.55 -3.72 0.00 0.00 177.10 176.84 1b0j h PRO 457 N 8.34 0.00 -0.56 0.43 0.13 -1.91 -2.93 132.00 135.51 1b0j h PRO 457 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1b0j h PRO 457 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1b0j h PRO 457 CO 0.63 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.79 1b0j n GLU 458 N -3.77 2.25 -2.99 0.86 -0.58 -1.26 -4.64 120.64 110.50 1b0j n GLU 458 Ca -0.02 -1.31 -0.41 0.00 -0.42 0.00 0.00 57.16 55.01 1b0j n GLU 458 Cb 0.16 -1.54 -0.05 0.00 -0.57 0.00 0.00 31.44 29.44 1b0j n GLU 458 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1b0j s THR 459 N -1.67 4.97 -0.48 2.62 2.01 -1.10 -2.73 115.64 119.25 1b0j s THR 459 Ca 0.24 1.48 -0.17 0.00 0.31 0.00 0.00 61.69 63.54 1b0j s THR 459 Cb 0.15 -4.07 0.06 0.00 0.01 0.00 0.00 72.50 68.66 1b0j s THR 459 CO 0.11 0.12 0.51 -1.00 -0.69 0.00 0.00 174.62 173.68 1b0j s HIS 460 N 1.61 3.14 -0.20 4.92 3.76 -0.09 -4.79 115.29 123.65 1b0j s HIS 460 Ca 0.36 -0.69 -0.06 0.00 -0.15 0.00 0.00 55.06 54.52 1b0j s HIS 460 Cb -0.17 -3.32 -0.03 0.00 1.11 0.00 0.00 32.58 30.17 1b0j s HIS 460 CO 0.14 -0.90 0.04 0.00 -0.85 0.00 0.00 174.74 173.17 1b0j s ALA 461 N 2.17 3.20 -0.18 -1.40 0.00 -1.25 -1.39 121.76 122.91 1b0j s ALA 461 Ca 0.10 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 1b0j s ALA 461 Cb -0.21 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 1b0j s ALA 461 CO 0.10 -0.05 -0.01 -0.06 0.00 0.00 0.00 175.76 175.74 1b0j s PHE 462 N 0.82 3.07 0.06 0.00 0.40 -1.00 -4.44 117.98 116.89 1b0j s PHE 462 Ca 0.02 -0.29 -0.11 0.00 -0.60 0.00 0.00 56.93 55.95 1b0j s PHE 462 Cb -0.14 -2.02 -0.06 0.00 0.51 0.00 0.00 43.02 41.31 1b0j s PHE 462 CO 0.02 -0.08 0.40 0.14 0.70 0.00 0.00 175.22 176.40 1b0j s VAL 463 N 0.59 5.09 0.00 -0.44 -7.23 -0.00 -1.01 120.40 117.40 1b0j s VAL 463 Ca -0.01 0.52 0.00 0.00 -1.81 0.00 0.00 61.98 60.68 1b0j s VAL 463 Cb -0.14 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.15 1b0j s VAL 463 CO 0.02 0.35 0.00 1.07 -0.31 0.00 0.00 175.10 176.23 1b0j n THR 464 N 1.10 0.00 -3.48 5.32 5.66 0.47 -1.48 114.28 121.87 1b0j n THR 464 Ca -0.09 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.60 1b0j n THR 464 Cb 0.52 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.26 1b0j n THR 464 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1b0j s SER 465 N 0.67 6.54 0.41 1.09 1.04 -1.26 -4.13 113.70 118.06 1b0j s SER 465 Ca 0.00 0.76 0.14 0.00 0.48 0.00 0.00 55.95 57.33 1b0j s SER 465 Cb 0.00 -2.16 1.00 0.00 0.10 0.00 0.00 66.02 64.95 1b0j s SER 465 CO 0.00 -0.07 1.92 1.55 0.98 0.00 0.00 173.24 177.62 1b0j h PRO 466 N 2.39 0.46 -0.01 4.02 0.13 -1.90 -1.41 132.00 135.69 1b0j h PRO 466 Ca -0.47 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 64.47 1b0j h PRO 466 Cb 1.17 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1b0j h PRO 466 CO 0.69 0.31 -0.77 1.05 -0.23 0.00 0.00 178.00 179.05 1b0j h GLU 467 N 0.48 0.07 0.08 0.86 9.09 -1.88 -1.71 114.58 121.56 1b0j h GLU 467 Ca 0.37 -0.07 -0.28 0.00 0.05 0.00 0.00 59.36 59.44 1b0j h GLU 467 Cb 0.77 0.02 0.03 0.00 -1.65 0.00 0.00 28.75 27.92 1b0j h GLU 467 CO -0.13 0.80 -1.14 0.82 0.05 0.00 0.00 179.01 179.42 1b0j h ILE 468 N 0.04 1.30 -0.23 -1.06 1.08 -1.69 -2.10 117.51 114.85 1b0j h ILE 468 Ca -0.02 -2.38 0.06 0.00 -0.39 0.00 0.00 64.86 62.14 1b0j h ILE 468 Cb 1.35 2.62 -0.06 0.00 -3.07 0.00 0.00 36.82 37.66 1b0j h ILE 468 CO 0.11 0.72 -0.18 0.58 -0.69 0.00 0.00 178.15 178.69 1b0j h VAL 469 N 0.26 0.51 -0.51 1.67 2.07 -1.32 -1.29 116.25 117.64 1b0j h VAL 469 Ca -0.17 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1b0j h VAL 469 Cb 1.81 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 32.04 1b0j h VAL 469 CO 0.22 0.00 0.25 0.74 0.02 0.00 0.00 177.57 178.80 1b0j h THR 470 N -0.18 0.94 -0.66 2.57 2.02 -1.17 -0.91 112.91 115.51 1b0j h THR 470 Ca 0.13 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1b0j h THR 470 Cb 0.38 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1b0j h THR 470 CO -0.34 0.09 0.37 0.00 0.37 0.00 0.00 175.52 176.02 1b0j h ALA 471 N 1.29 0.85 -0.16 6.16 0.00 -0.99 -1.89 119.26 124.51 1b0j h ALA 471 Ca 0.23 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 1b0j h ALA 471 Cb 0.16 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1b0j h ALA 471 CO -0.17 0.35 -0.61 -0.07 0.00 0.00 0.00 179.25 178.75 1b0j h LEU 472 N 0.91 0.63 -1.46 0.00 3.38 -0.94 -2.36 115.31 115.47 1b0j h LEU 472 Ca 0.24 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1b0j h LEU 472 Cb 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1b0j h LEU 472 CO -0.04 1.09 -0.08 0.00 0.09 0.00 0.00 178.44 179.51 1b0j h ALA 473 N 0.91 1.56 -0.37 1.53 0.00 -0.79 0.79 119.26 122.90 1b0j h ALA 473 Ca -0.01 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1b0j h ALA 473 Cb 1.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1b0j h ALA 473 CO 0.11 0.32 -0.36 0.82 0.00 0.00 0.00 179.25 180.14 1b0j h ILE 474 N 0.25 1.28 0.00 0.00 2.04 -1.30 0.15 117.51 119.93 1b0j h ILE 474 Ca 0.05 -1.53 -0.16 0.00 1.00 0.00 0.00 64.86 64.22 1b0j h ILE 474 Cb 0.30 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1b0j h ILE 474 CO 0.01 0.51 -0.86 0.00 0.00 0.00 0.00 178.15 177.81 1b0j h ALA 475 N 0.87 0.56 0.00 1.87 0.00 -0.85 -3.28 119.26 118.43 1b0j h ALA 475 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1b0j h ALA 475 Cb 0.93 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1b0j h ALA 475 CO 0.09 0.94 0.00 0.41 0.00 0.00 0.00 179.25 180.69 1b0j n GLY 476 N 1.31 0.37 3.02 0.00 0.00 0.27 -4.92 105.19 105.24 1b0j n GLY 476 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1b0j n GLY 476 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1b0j s THR 477 N -1.97 0.08 -0.05 2.61 -1.32 -1.24 -1.19 115.64 112.57 1b0j s THR 477 Ca 0.00 -0.68 0.27 0.00 -1.21 0.00 0.00 61.69 60.07 1b0j s THR 477 Cb 0.00 -0.30 0.31 0.00 -1.51 0.00 0.00 72.50 71.00 1b0j s THR 477 CO 0.00 -0.37 1.80 -0.07 -2.21 0.00 0.00 174.62 173.77 1b0j h LEU 478 N 4.74 0.00 -6.37 9.08 3.38 -1.57 -3.32 115.31 121.25 1b0j h LEU 478 Ca -0.30 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 56.96 1b0j h LEU 478 Cb 1.20 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 1b0j h LEU 478 CO 0.42 0.11 2.91 0.29 0.09 0.00 0.00 178.44 182.25 1b0j n LYS 479 N -3.19 2.95 -3.54 1.13 5.02 -1.26 -3.46 118.16 115.81 1b0j n LYS 479 Ca 0.01 -2.77 0.00 0.00 -2.02 0.00 0.00 58.31 53.53 1b0j n LYS 479 Cb 0.43 -3.31 -0.04 0.00 -0.02 0.00 0.00 35.03 32.10 1b0j n LYS 479 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1b0j s PHE 480 N 3.25 -1.22 -0.26 2.13 5.36 -1.25 -5.06 117.98 120.92 1b0j s PHE 480 Ca 0.48 2.00 -0.06 0.00 -0.96 0.00 0.00 56.93 58.39 1b0j s PHE 480 Cb 0.12 0.69 -0.01 0.00 -0.34 0.00 0.00 43.02 43.48 1b0j s PHE 480 CO -0.05 -0.62 0.03 1.21 -1.46 0.00 0.00 175.22 174.33 1b0j s ASN 481 N 2.81 4.83 0.34 6.13 3.84 -1.26 -4.95 114.94 126.68 1b0j s ASN 481 Ca -0.02 -0.49 0.03 0.00 0.21 0.00 0.00 52.86 52.59 1b0j s ASN 481 Cb -0.11 -1.84 0.63 0.00 -0.55 0.00 0.00 41.25 39.38 1b0j s ASN 481 CO -0.19 -0.09 1.93 -0.65 -2.79 0.00 0.00 177.10 175.31 1b0j h PRO 482 N 8.18 0.65 -0.42 0.43 0.11 -1.95 -0.79 132.00 138.20 1b0j h PRO 482 Ca -0.36 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1b0j h PRO 482 Cb 1.15 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1b0j h PRO 482 CO 0.59 0.55 0.11 0.93 -0.21 0.00 0.00 178.00 179.97 1b0j h GLU 483 N 0.64 0.67 0.05 1.05 5.08 -1.94 -3.37 114.58 116.76 1b0j h GLU 483 Ca 0.16 -0.16 -0.37 0.00 -1.00 0.00 0.00 59.36 57.98 1b0j h GLU 483 Cb 0.15 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1b0j h GLU 483 CO -0.01 0.68 -2.19 0.25 -1.00 0.00 0.00 179.01 176.74 1b0j n THR 484 N -4.54 1.62 -2.89 1.13 -2.24 -1.07 -4.98 114.28 101.30 1b0j n THR 484 Ca 0.00 -0.54 -0.28 0.00 -2.27 0.00 0.00 64.05 60.96 1b0j n THR 484 Cb 0.20 -1.65 -0.01 0.00 -2.10 0.00 0.00 70.33 66.77 1b0j n THR 484 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1b0j s ASP 485 N -6.86 6.36 -0.27 3.42 1.01 -0.33 -5.05 116.67 114.96 1b0j s ASP 485 Ca -0.30 0.89 -0.08 0.00 0.71 0.00 0.00 52.55 53.77 1b0j s ASP 485 Cb 0.08 -2.22 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 1b0j s ASP 485 CO 0.66 -0.44 0.10 -0.36 0.21 0.00 0.00 175.17 175.33 1b0j s PHE 486 N -2.49 3.12 0.63 4.23 0.40 -1.26 -4.34 117.98 118.26 1b0j s PHE 486 Ca 0.47 -0.43 -0.06 0.00 -0.60 0.00 0.00 56.93 56.31 1b0j s PHE 486 Cb -0.10 -2.27 0.03 0.00 0.51 0.00 0.00 43.02 41.18 1b0j s PHE 486 CO 0.38 -0.37 0.93 -0.51 0.70 0.00 0.00 175.22 176.35 1b0j s LEU 487 N 1.62 3.08 -0.15 -0.37 1.02 -0.42 -4.88 118.68 118.59 1b0j s LEU 487 Ca 0.06 0.57 0.02 0.00 0.02 0.00 0.00 54.13 54.80 1b0j s LEU 487 Cb -0.16 -3.33 0.01 0.00 0.02 0.00 0.00 46.19 42.73 1b0j s LEU 487 CO 0.05 -1.27 -0.21 -0.89 0.02 0.00 0.00 176.35 174.05 1b0j s THR 488 N -3.07 2.10 0.79 5.49 2.01 -1.26 -1.30 115.64 120.41 1b0j s THR 488 Ca 0.56 -0.96 -0.13 0.00 0.31 0.00 0.00 61.69 61.47 1b0j s THR 488 Cb -0.11 -1.85 0.19 0.00 0.01 0.00 0.00 72.50 70.75 1b0j s THR 488 CO 0.44 0.55 0.87 0.61 -0.69 0.00 0.00 174.62 176.40 1b0j n GLY 489 N 4.13 -2.03 0.29 4.40 0.00 -0.27 -4.95 105.19 106.76 1b0j n GLY 489 Ca -0.20 -1.59 -0.07 0.00 0.00 0.00 0.00 46.02 44.16 1b0j n GLY 489 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1b0j h LYS 490 N 0.00 0.99 0.00 1.61 3.64 -1.32 -3.18 116.57 118.32 1b0j h LYS 490 Ca -0.30 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1b0j h LYS 490 Cb 0.88 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1b0j h LYS 490 CO 0.21 0.82 0.00 0.38 -2.27 0.00 0.00 179.45 178.58 1b0j h ASP 491 N 0.95 0.00 0.00 4.20 2.03 -1.93 -3.46 116.42 118.21 1b0j h ASP 491 Ca 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 1b0j h ASP 491 Cb 0.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 1b0j h ASP 491 CO -0.02 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.80 1b0j n GLY 492 N -0.37 0.15 3.78 7.15 0.00 -1.20 -5.07 105.19 109.62 1b0j n GLY 492 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1b0j n GLY 492 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b0j s LYS 493 N -0.94 4.07 0.22 1.61 1.02 -1.26 -4.82 119.74 119.65 1b0j s LYS 493 Ca 0.00 0.25 -0.30 0.00 0.02 0.00 0.00 55.97 55.94 1b0j s LYS 493 Cb 0.00 -3.33 -0.09 0.00 -0.52 0.00 0.00 37.83 33.89 1b0j s LYS 493 CO 0.00 0.44 1.17 0.15 -0.92 0.00 0.00 175.35 176.19 1b0j s LYS 494 N -0.20 4.53 0.05 1.68 -0.14 -1.26 -1.11 119.74 123.30 1b0j s LYS 494 Ca 0.21 1.87 -0.03 0.00 -1.36 0.00 0.00 55.97 56.65 1b0j s LYS 494 Cb -0.15 -3.22 -0.02 0.00 -1.68 0.00 0.00 37.83 32.76 1b0j s LYS 494 CO 0.08 0.00 0.04 -0.59 -0.76 0.00 0.00 175.35 174.13 1b0j s PHE 495 N -0.47 0.36 0.10 3.18 -0.71 -0.42 -4.94 117.98 115.08 1b0j s PHE 495 Ca 0.50 -0.82 0.10 0.00 -1.04 0.00 0.00 56.93 55.67 1b0j s PHE 495 Cb -0.33 -0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.19 1b0j s PHE 495 CO 0.39 -0.40 -0.26 0.21 -1.34 0.00 0.00 175.22 173.83 1b0j s LYS 496 N -3.45 1.57 0.14 1.99 2.20 -1.26 -1.30 119.74 119.63 1b0j s LYS 496 Ca 0.02 -1.25 -0.30 0.00 -0.36 0.00 0.00 55.97 54.08 1b0j s LYS 496 Cb 0.04 -1.95 -0.07 0.00 -1.51 0.00 0.00 37.83 34.34 1b0j s LYS 496 CO -0.08 0.47 1.21 -0.51 -0.36 0.00 0.00 175.35 176.08 1b0j s LEU 497 N -1.80 4.42 0.37 5.43 1.02 -1.26 -5.02 118.68 121.84 1b0j s LEU 497 Ca 0.14 2.17 -0.25 0.00 0.02 0.00 0.00 54.13 56.20 1b0j s LEU 497 Cb -0.10 -3.60 -0.09 0.00 0.02 0.00 0.00 46.19 42.42 1b0j s LEU 497 CO 0.05 -0.42 1.06 -0.70 0.02 0.00 0.00 176.35 176.36 1b0j s GLU 498 N 0.28 4.29 0.35 1.70 -6.30 -1.26 -4.85 118.70 112.90 1b0j s GLU 498 Ca 0.55 1.59 -0.28 0.00 -2.50 0.00 0.00 54.97 54.33 1b0j s GLU 498 Cb -0.32 -2.71 -0.11 0.00 0.00 0.00 0.00 34.13 30.99 1b0j s GLU 498 CO 0.34 -0.05 1.43 0.00 0.02 0.00 0.00 175.26 176.99 1b0j s ALA 499 N -1.52 3.56 0.37 6.30 0.00 -1.26 -4.91 121.76 124.29 1b0j s ALA 499 Ca 0.54 1.46 -0.26 0.00 0.00 0.00 0.00 51.96 53.70 1b0j s ALA 499 Cb -0.25 -3.57 -0.09 0.00 0.00 0.00 0.00 23.12 19.22 1b0j s ALA 499 CO 0.31 -0.90 1.09 -1.25 0.00 0.00 0.00 175.76 175.01 1b0j s PRO 500 N -1.82 4.28 0.07 0.00 0.04 -1.26 -4.96 135.00 131.34 1b0j s PRO 500 Ca 0.52 1.66 0.08 0.00 0.04 0.00 0.00 61.00 63.30 1b0j s PRO 500 Cb -0.44 -2.75 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 1b0j s PRO 500 CO 0.58 -0.08 -0.22 0.34 0.04 0.00 0.00 177.00 177.67 1b0j s ASP 501 N -1.29 2.62 -0.26 6.66 2.15 -1.26 -4.89 116.67 120.40 1b0j s ASP 501 Ca 0.54 -0.59 -0.28 0.00 0.43 0.00 0.00 52.55 52.65 1b0j s ASP 501 Cb -0.27 -0.20 0.17 0.00 -0.30 0.00 0.00 42.92 42.33 1b0j s ASP 501 CO 0.34 0.14 1.29 0.00 -0.17 0.00 0.00 175.17 176.76 1b0j s ALA 502 N -0.92 -2.10 0.51 3.66 0.00 -1.26 -4.76 121.76 116.89 1b0j s ALA 502 Ca 0.08 1.78 -0.21 0.00 0.00 0.00 0.00 51.96 53.61 1b0j s ALA 502 Cb -0.09 -1.43 -0.06 0.00 0.00 0.00 0.00 23.12 21.54 1b0j s ALA 502 CO 0.03 -0.22 1.19 -0.51 0.00 0.00 0.00 175.76 176.25 1b0j s ASP 503 N -0.69 5.79 0.14 0.00 1.01 -1.26 -4.94 116.67 116.72 1b0j s ASP 503 Ca 0.06 2.36 0.01 0.00 0.71 0.00 0.00 52.55 55.69 1b0j s ASP 503 Cb -0.02 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.22 1b0j s ASP 503 CO -0.08 -1.18 1.32 1.05 0.21 0.00 0.00 175.17 176.49 1b0j h GLU 504 N 1.60 0.20 -4.90 8.23 4.11 -1.95 -3.38 114.58 118.50 1b0j h GLU 504 Ca -0.50 -0.25 -0.30 0.00 0.07 0.00 0.00 59.36 58.38 1b0j h GLU 504 Cb 1.27 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 30.45 1b0j h GLU 504 CO 0.58 1.02 -0.68 -0.51 0.07 0.00 0.00 179.01 179.49 1b0j s LEU 505 N -7.31 2.29 0.54 3.06 1.43 -1.26 -3.84 118.68 113.59 1b0j s LEU 505 Ca -0.03 -1.12 -0.21 0.00 -1.03 0.00 0.00 54.13 51.75 1b0j s LEU 505 Cb 0.09 -0.17 -0.05 0.00 0.03 0.00 0.00 46.19 46.10 1b0j s LEU 505 CO 0.84 -0.48 1.25 -2.16 0.23 0.00 0.00 176.35 176.03 1b0j s PRO 506 N -3.85 3.22 0.16 1.29 0.04 -1.26 -4.93 135.00 129.67 1b0j s PRO 506 Ca 0.21 1.97 -0.11 0.00 0.04 0.00 0.00 61.00 63.11 1b0j s PRO 506 Cb 0.05 -2.17 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1b0j s PRO 506 CO 0.03 -1.04 1.58 0.00 0.04 0.00 0.00 177.00 177.60 1b0j h ARG 507 N 1.39 0.96 -7.79 4.56 3.08 -2.00 -3.43 114.38 111.15 1b0j h ARG 507 Ca -0.50 -0.35 -0.44 0.00 0.07 0.00 0.00 59.98 58.75 1b0j h ARG 507 Cb 1.29 -0.06 0.17 0.00 0.08 0.00 0.00 29.97 31.45 1b0j h ARG 507 CO 0.57 1.02 0.39 0.00 -1.07 0.00 0.00 179.97 180.88 1b0j s ALA 508 N -4.86 1.98 0.93 0.04 0.00 -1.26 -5.05 121.76 113.54 1b0j s ALA 508 Ca -0.12 -1.22 -0.13 0.00 0.00 0.00 0.00 51.96 50.49 1b0j s ALA 508 Cb 0.12 -2.77 0.15 0.00 0.00 0.00 0.00 23.12 20.62 1b0j s ALA 508 CO 0.85 -2.66 1.16 -1.21 0.00 0.00 0.00 175.76 173.90 1b0j s GLU 509 N -5.86 0.99 0.04 0.00 0.41 -1.26 -4.99 118.70 108.03 1b0j s GLU 509 Ca 0.75 0.15 -0.30 0.00 -0.41 0.00 0.00 54.97 55.16 1b0j s GLU 509 Cb -0.04 -1.83 -0.04 0.00 -1.78 0.00 0.00 34.13 30.44 1b0j s GLU 509 CO 0.54 -2.27 0.99 -0.06 -0.49 0.00 0.00 175.26 173.97 1b0j s PHE 510 N -3.37 3.68 -0.01 1.61 0.08 -1.26 -4.90 117.98 113.82 1b0j s PHE 510 Ca 0.65 1.70 -0.30 0.00 0.12 0.00 0.00 56.93 59.10 1b0j s PHE 510 Cb -0.13 -3.13 -0.04 0.00 -0.57 0.00 0.00 43.02 39.16 1b0j s PHE 510 CO 0.53 -0.06 1.12 0.34 -0.10 0.00 0.00 175.22 177.05 1b0j s ASP 511 N 0.69 7.16 0.26 1.36 -1.08 -1.26 -4.96 116.67 118.85 1b0j s ASP 511 Ca 0.51 1.81 0.26 0.00 -0.52 0.00 0.00 52.55 54.60 1b0j s ASP 511 Cb -0.23 -2.57 0.78 0.00 -1.46 0.00 0.00 42.92 39.45 1b0j s ASP 511 CO 0.29 -0.45 1.75 1.55 0.52 0.00 0.00 175.17 178.83 1b0j h PRO 512 N 7.03 0.00 0.00 4.34 0.13 -1.92 -3.37 132.00 138.21 1b0j h PRO 512 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1b0j h PRO 512 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1b0j h PRO 512 CO 0.82 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.00 1b0j n GLY 513 N 1.09 0.19 3.91 1.56 0.00 -1.26 -3.92 105.19 106.76 1b0j n GLY 513 Ca 0.05 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 1b0j n GLY 513 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1b0j s GLN 514 N 0.00 3.59 0.02 1.61 1.03 -1.26 -5.03 119.66 119.61 1b0j s GLN 514 Ca 0.00 0.05 -0.34 0.00 0.04 0.00 0.00 55.36 55.11 1b0j s GLN 514 Cb 0.00 -2.53 -0.13 0.00 0.03 0.00 0.00 33.01 30.38 1b0j s GLN 514 CO 0.00 0.04 1.73 -0.40 -2.54 0.00 0.00 175.29 174.12 1b0j n ASP 515 N -1.59 3.21 0.00 12.60 5.75 -1.26 -4.88 116.55 130.37 1b0j n ASP 515 Ca -0.01 1.03 0.00 0.00 -0.01 0.00 0.00 54.79 55.79 1b0j n ASP 515 Cb 0.55 -1.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.26 1b0j n ASP 515 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1b0j n THR 516 N 4.32 0.00 -3.03 2.12 -2.24 -1.26 -5.02 114.28 109.17 1b0j n THR 516 Ca 0.20 -0.14 -0.39 0.00 -2.27 0.00 0.00 64.05 61.45 1b0j n THR 516 Cb 0.28 0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 69.21 1b0j n THR 516 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1b0j s TYR 517 N -0.54 3.87 -0.20 4.78 5.04 -1.26 -1.61 117.35 127.43 1b0j s TYR 517 Ca 0.00 1.55 0.01 0.00 -2.44 0.00 0.00 57.07 56.19 1b0j s TYR 517 Cb 0.00 -2.74 0.04 0.00 0.35 0.00 0.00 41.96 39.62 1b0j s TYR 517 CO 0.00 0.49 -0.10 -1.14 -1.34 0.00 0.00 175.55 173.46 1b0j s GLN 518 N -0.96 1.99 0.40 4.97 0.74 -0.00 -4.99 119.66 121.82 1b0j s GLN 518 Ca 0.35 -0.86 -0.23 0.00 0.05 0.00 0.00 55.36 54.67 1b0j s GLN 518 Cb -0.22 -2.43 -0.10 0.00 1.10 0.00 0.00 33.01 31.36 1b0j s GLN 518 CO 0.25 -0.44 0.98 -1.58 -0.55 0.00 0.00 175.29 173.94 1b0j s HIS 519 N 1.39 3.37 0.42 1.67 5.65 -1.26 -1.80 115.29 124.72 1b0j s HIS 519 Ca -0.02 1.66 -0.26 0.00 0.25 0.00 0.00 55.06 56.69 1b0j s HIS 519 Cb -0.16 -2.95 -0.10 0.00 -1.18 0.00 0.00 32.58 28.19 1b0j s HIS 519 CO -0.08 -0.21 1.40 -0.35 -0.65 0.00 0.00 174.74 174.85 1b0j n PRO 520 N -0.26 2.28 -1.93 2.88 -0.04 -1.26 -4.94 135.00 131.73 1b0j n PRO 520 Ca 0.06 0.81 -0.42 0.00 -0.04 0.00 0.00 63.50 63.90 1b0j n PRO 520 Cb 0.52 -2.56 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 1b0j n PRO 520 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1b0j s PRO 521 N -2.26 4.08 -0.62 0.54 0.04 -1.26 -4.85 135.00 130.67 1b0j s PRO 521 Ca 0.59 2.21 0.04 0.00 0.04 0.00 0.00 61.00 63.88 1b0j s PRO 521 Cb -0.48 -4.05 0.33 0.00 0.04 0.00 0.00 34.50 30.35 1b0j s PRO 521 CO 0.60 -0.98 1.02 1.63 0.04 0.00 0.00 177.00 179.31 1b0j n LYS 522 N 7.35 3.42 0.00 4.56 4.76 -1.26 -4.21 118.16 132.78 1b0j n LYS 522 Ca 0.19 -4.84 0.00 0.00 -2.87 0.00 0.00 58.31 50.78 1b0j n LYS 522 Cb 0.43 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.36 1b0j n LYS 522 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1b0j n ASP 523 N -0.17 2.87 0.00 4.39 5.75 -1.26 -5.10 116.55 123.03 1b0j n ASP 523 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.10 1b0j n ASP 523 Cb 0.38 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1b0j n ASP 523 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1b0j n SER 524 N 0.00 0.00 -0.62 -1.12 7.64 -1.26 -4.75 113.62 113.51 1b0j n SER 524 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1b0j n SER 524 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1b0j n SER 524 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1b0j n SER 525 N -0.00 -1.94 -2.24 6.43 7.64 -1.26 -4.75 113.62 117.50 1b0j n SER 525 Ca 0.00 0.09 -0.24 0.00 1.01 0.00 0.00 58.87 59.73 1b0j n SER 525 Cb 0.00 -1.75 0.01 0.00 -1.01 0.00 0.00 64.21 61.46 1b0j n SER 525 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b0j n GLY 526 N 0.10 4.51 3.93 0.23 0.00 -1.26 -4.64 105.19 108.06 1b0j n GLY 526 Ca -0.04 -1.64 -0.26 0.00 0.00 0.00 0.00 46.02 44.09 1b0j n GLY 526 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b0j s GLN 527 N -2.17 3.51 -0.08 1.61 1.11 -1.26 -5.10 119.66 117.27 1b0j s GLN 527 Ca 0.47 -0.37 0.01 0.00 0.01 0.00 0.00 55.36 55.48 1b0j s GLN 527 Cb 0.34 -2.80 -0.03 0.00 -1.01 0.00 0.00 33.01 29.52 1b0j s GLN 527 CO -0.11 0.34 -0.09 1.03 0.01 0.00 0.00 175.29 176.46 1b0j s ARG 528 N -3.63 2.89 -0.36 2.91 0.52 -1.26 -5.01 118.95 115.02 1b0j s ARG 528 Ca 0.38 -0.60 -0.14 0.00 -0.52 0.00 0.00 55.73 54.85 1b0j s ARG 528 Cb -0.10 -2.58 -0.01 0.00 0.52 0.00 0.00 34.95 32.78 1b0j s ARG 528 CO 0.31 0.54 0.30 0.08 0.02 0.00 0.00 175.30 176.55 1b0j s VAL 529 N -0.48 5.23 -0.20 3.52 1.01 -1.26 -4.99 120.40 123.24 1b0j s VAL 529 Ca 0.07 -0.19 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 1b0j s VAL 529 Cb -0.12 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1b0j s VAL 529 CO 0.02 -0.11 0.26 -0.62 0.00 0.00 0.00 175.10 174.65 1b0j s ASP 530 N 1.73 6.32 -0.26 3.32 2.15 -1.26 -5.02 116.67 123.65 1b0j s ASP 530 Ca 0.08 0.37 0.02 0.00 0.43 0.00 0.00 52.55 53.45 1b0j s ASP 530 Cb -0.17 -2.16 0.06 0.00 -0.30 0.00 0.00 42.92 40.34 1b0j s ASP 530 CO 0.11 0.06 -0.10 -0.69 -0.17 0.00 0.00 175.17 174.38 1b0j s VAL 531 N 0.79 2.26 0.04 1.11 1.01 -1.26 -4.94 120.40 119.42 1b0j s VAL 531 Ca 0.13 -1.58 -0.33 0.00 0.00 0.00 0.00 61.98 60.21 1b0j s VAL 531 Cb -0.13 -2.31 -0.12 0.00 0.00 0.00 0.00 36.38 33.82 1b0j s VAL 531 CO 0.04 -0.01 1.78 -0.24 0.00 0.00 0.00 175.10 176.67 1b0j n SER 532 N 4.46 3.51 0.01 3.32 2.88 -1.26 -4.87 113.62 121.67 1b0j n SER 532 Ca -0.14 1.01 0.06 0.00 -1.33 0.00 0.00 58.87 58.47 1b0j n SER 532 Cb 0.43 -1.43 0.28 0.00 -0.75 0.00 0.00 64.21 62.73 1b0j n SER 532 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1b0j n PRO 533 N 5.47 0.01 -0.46 -1.46 -0.04 -1.26 -1.82 135.00 135.45 1b0j n PRO 533 Ca 0.20 0.30 0.08 0.00 -0.04 0.00 0.00 63.50 64.03 1b0j n PRO 533 Cb 0.32 -1.52 0.28 0.00 -0.04 0.00 0.00 33.50 32.53 1b0j n PRO 533 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1b0j n THR 534 N -1.55 1.71 -2.67 0.52 -2.24 -1.26 -5.02 114.28 103.77 1b0j n THR 534 Ca 0.03 -1.30 -0.35 0.00 -2.27 0.00 0.00 64.05 60.16 1b0j n THR 534 Cb 0.15 0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 1b0j n THR 534 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1b0j s SER 535 N -1.17 6.88 0.03 3.42 0.15 -0.76 -4.98 113.70 117.27 1b0j s SER 535 Ca 0.42 1.88 0.21 0.00 0.70 0.00 0.00 55.95 59.16 1b0j s SER 535 Cb 0.28 -2.57 -0.22 0.00 -1.71 0.00 0.00 66.02 61.80 1b0j s SER 535 CO 0.19 -0.40 0.63 0.00 1.20 0.00 0.00 173.24 174.86 1b0j n GLN 536 N -0.22 0.64 -0.01 5.44 1.13 -1.26 -4.54 117.38 118.57 1b0j n GLN 536 Ca 0.05 -0.05 0.09 0.00 -1.94 0.00 0.00 57.00 55.15 1b0j n GLN 536 Cb 0.51 -1.63 -0.15 0.00 0.11 0.00 0.00 30.24 29.08 1b0j n GLN 536 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1b0j n ARG 537 N -2.48 0.61 -4.12 -1.09 1.74 -1.26 -4.80 116.66 105.26 1b0j n ARG 537 Ca -0.06 -0.17 -0.13 0.00 -0.77 0.00 0.00 57.85 56.72 1b0j n ARG 537 Cb 0.64 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.51 1b0j n ARG 537 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1b0j s LEU 538 N -4.40 2.35 -0.29 0.55 1.43 -1.26 -3.08 118.68 113.98 1b0j s LEU 538 Ca -0.07 -0.71 -0.20 0.00 -1.03 0.00 0.00 54.13 52.12 1b0j s LEU 538 Cb 0.12 -0.21 0.13 0.00 0.03 0.00 0.00 46.19 46.26 1b0j s LEU 538 CO 0.81 -0.26 0.96 -1.58 0.23 0.00 0.00 176.35 176.50 1b0j s GLN 539 N -2.36 0.48 0.77 1.70 0.74 -0.88 -4.52 119.66 115.59 1b0j s GLN 539 Ca -0.01 0.71 -0.11 0.00 0.05 0.00 0.00 55.36 56.00 1b0j s GLN 539 Cb -0.05 0.15 0.06 0.00 1.10 0.00 0.00 33.01 34.27 1b0j s GLN 539 CO -0.01 -0.08 1.08 -0.51 -0.55 0.00 0.00 175.29 175.23 1b0j s LEU 540 N 0.94 2.79 0.14 3.68 1.43 -1.26 -4.78 118.68 121.62 1b0j s LEU 540 Ca -0.04 1.51 -0.06 0.00 -1.03 0.00 0.00 54.13 54.51 1b0j s LEU 540 Cb -0.04 -4.19 -0.06 0.00 0.03 0.00 0.00 46.19 41.93 1b0j s LEU 540 CO -0.12 -1.90 0.39 -0.76 0.23 0.00 0.00 176.35 174.19 1b0j s LEU 541 N -5.78 4.27 -0.05 1.79 1.43 -1.26 -5.01 118.68 114.07 1b0j s LEU 541 Ca 0.60 0.63 0.05 0.00 -1.03 0.00 0.00 54.13 54.38 1b0j s LEU 541 Cb -0.15 -3.30 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 1b0j s LEU 541 CO 0.55 0.06 -0.19 -0.70 0.23 0.00 0.00 176.35 176.30 1b0j s GLU 542 N -2.59 2.49 0.86 1.70 2.12 -1.26 -5.07 118.70 116.95 1b0j s GLU 542 Ca 0.41 -0.79 -0.12 0.00 0.36 0.00 0.00 54.97 54.83 1b0j s GLU 542 Cb -0.12 -2.28 0.11 0.00 0.26 0.00 0.00 34.13 32.10 1b0j s GLU 542 CO 0.24 0.54 1.17 -1.25 -0.54 0.00 0.00 175.26 175.41 1b0j s PRO 543 N -0.52 1.35 0.69 4.30 0.04 -1.26 -5.02 135.00 134.57 1b0j s PRO 543 Ca 0.07 1.63 -0.08 0.00 0.04 0.00 0.00 61.00 62.66 1b0j s PRO 543 Cb -0.11 -1.76 0.04 0.00 0.04 0.00 0.00 34.50 32.71 1b0j s PRO 543 CO 0.01 -2.40 1.01 -0.06 0.04 0.00 0.00 177.00 175.60 1b0j s PHE 544 N -2.43 3.06 0.37 0.56 0.08 -1.26 -5.07 117.98 113.28 1b0j s PHE 544 Ca 0.69 0.60 -0.27 0.00 0.12 0.00 0.00 56.93 58.08 1b0j s PHE 544 Cb -0.25 -3.09 -0.09 0.00 -0.57 0.00 0.00 43.02 39.01 1b0j s PHE 544 CO 0.54 -1.27 1.27 0.16 -0.10 0.00 0.00 175.22 175.82 1b0j s ASP 545 N -4.45 6.60 0.92 1.36 -4.77 -1.26 -4.90 116.67 110.16 1b0j s ASP 545 Ca 0.58 2.59 -0.12 0.00 -3.30 0.00 0.00 52.55 52.31 1b0j s ASP 545 Cb -0.11 -2.64 0.14 0.00 -1.09 0.00 0.00 42.92 39.23 1b0j s ASP 545 CO 0.46 -0.65 1.10 -0.54 0.70 0.00 0.00 175.17 176.24 1b0j s LYS 546 N -2.02 1.09 0.16 2.11 -0.14 -1.25 -3.97 119.74 115.72 1b0j s LYS 546 Ca 0.53 0.69 -0.30 0.00 -1.36 0.00 0.00 55.97 55.53 1b0j s LYS 546 Cb -0.37 -1.80 -0.07 0.00 -1.68 0.00 0.00 37.83 33.91 1b0j s LYS 546 CO 0.48 -2.32 0.94 -0.46 -0.76 0.00 0.00 175.35 173.23 1b0j s TRP 547 N -2.98 3.88 -2.00 3.18 -0.00 -0.45 -4.82 118.94 115.74 1b0j s TRP 547 Ca 0.64 1.83 0.15 0.00 -0.00 0.00 0.00 56.10 58.72 1b0j s TRP 547 Cb -0.18 -3.01 0.92 0.00 -0.00 0.00 0.00 33.47 31.21 1b0j s TRP 547 CO 0.57 0.31 1.59 -0.40 -0.00 0.00 0.00 176.95 179.02 1b0j n ASP 548 N 2.28 0.00 0.00 5.86 5.68 -1.26 -4.87 116.55 124.24 1b0j n ASP 548 Ca 0.00 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 1b0j n ASP 548 Cb 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1b0j n ASP 548 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b0j n GLY 549 N 0.73 0.77 3.58 6.12 0.00 -1.26 -5.03 105.19 110.10 1b0j n GLY 549 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1b0j n GLY 549 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b0j s LYS 550 N -0.43 1.95 0.84 1.61 3.01 -1.26 -4.83 119.74 120.63 1b0j s LYS 550 Ca 0.00 -1.80 -0.12 0.00 -1.01 0.00 0.00 55.97 53.04 1b0j s LYS 550 Cb 0.00 -1.84 0.10 0.00 -1.01 0.00 0.00 37.83 35.07 1b0j s LYS 550 CO 0.00 0.17 1.18 -0.51 0.51 0.00 0.00 175.35 176.70 1b0j s ASP 551 N -3.65 4.26 -0.79 2.83 1.01 -1.26 -4.96 116.67 114.10 1b0j s ASP 551 Ca 0.33 0.79 -0.11 0.00 0.71 0.00 0.00 52.55 54.27 1b0j s ASP 551 Cb -0.00 -1.27 0.21 0.00 1.01 0.00 0.00 42.92 42.87 1b0j s ASP 551 CO 0.18 -2.06 0.70 -0.76 0.21 0.00 0.00 175.17 173.44 1b0j s LEU 552 N -5.68 6.42 0.34 1.23 1.43 -0.70 -4.98 118.68 116.74 1b0j s LEU 552 Ca 0.63 -2.76 -0.18 0.00 -1.03 0.00 0.00 54.13 50.80 1b0j s LEU 552 Cb -0.11 -2.13 -0.10 0.00 0.03 0.00 0.00 46.19 43.88 1b0j s LEU 552 CO 0.50 -0.52 0.81 -1.61 0.23 0.00 0.00 176.35 175.76 1b0j s GLU 553 N 0.07 4.12 -1.46 1.70 0.41 -1.26 -1.35 118.70 120.94 1b0j s GLU 553 Ca 0.18 0.85 -0.02 0.00 -0.41 0.00 0.00 54.97 55.57 1b0j s GLU 553 Cb -0.12 -2.42 0.00 0.00 -1.78 0.00 0.00 34.13 29.81 1b0j s GLU 553 CO -0.08 0.13 0.25 -0.25 -0.49 0.00 0.00 175.26 174.83 1b0j n ASP 554 N -0.29 0.01 -4.78 -0.19 8.00 -1.19 -4.95 116.55 113.16 1b0j n ASP 554 Ca 0.04 -1.14 -0.36 0.00 0.71 0.00 0.00 54.79 54.04 1b0j n ASP 554 Cb 0.53 -2.38 -0.02 0.00 -0.02 0.00 0.00 41.12 39.23 1b0j n ASP 554 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1b0j s LEU 555 N -7.15 3.93 -0.16 0.64 1.43 -0.59 -4.78 118.68 111.99 1b0j s LEU 555 Ca 0.03 2.16 -0.07 0.00 -1.03 0.00 0.00 54.13 55.21 1b0j s LEU 555 Cb -0.01 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 1b0j s LEU 555 CO 0.94 -0.90 0.09 -1.58 0.23 0.00 0.00 176.35 175.12 1b0j s GLN 556 N -2.92 3.82 -0.39 1.70 2.00 -0.49 -2.53 119.66 120.85 1b0j s GLN 556 Ca 0.66 -0.28 -0.29 0.00 -2.00 0.00 0.00 55.36 53.45 1b0j s GLN 556 Cb -0.24 -3.21 0.01 0.00 0.80 0.00 0.00 33.01 30.36 1b0j s GLN 556 CO 0.29 0.43 1.39 0.42 -0.50 0.00 0.00 175.29 177.32 1b0j s ILE 557 N -0.05 3.95 0.04 -2.34 1.01 -1.26 -1.22 121.20 121.33 1b0j s ILE 557 Ca 0.08 0.99 -0.23 0.00 0.00 0.00 0.00 60.65 61.49 1b0j s ILE 557 Cb -0.12 -4.19 -0.15 0.00 0.01 0.00 0.00 42.46 38.01 1b0j s ILE 557 CO 0.01 -0.69 1.48 0.25 0.00 0.00 0.00 174.94 175.99 1b0j h LEU 558 N 11.91 0.12 -7.17 2.97 5.85 -1.28 -3.46 115.31 124.25 1b0j h LEU 558 Ca -0.27 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.08 1b0j h LEU 558 Cb 1.10 -0.03 -0.22 0.00 0.37 0.00 0.00 40.66 41.89 1b0j h LEU 558 CO 1.07 0.38 -0.04 -0.51 -0.34 0.00 0.00 178.44 179.00 1b0j s ILE 559 N -5.05 0.01 -0.34 4.05 2.07 -1.26 -4.87 121.20 115.81 1b0j s ILE 559 Ca -0.14 -0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.02 1b0j s ILE 559 Cb 0.05 -0.80 0.07 0.00 0.13 0.00 0.00 42.46 41.91 1b0j s ILE 559 CO 0.69 -0.03 0.08 -0.75 -1.91 0.00 0.00 174.94 173.02 1b0j s LYS 560 N -0.12 2.22 0.18 3.50 2.20 -1.26 -1.87 119.74 124.59 1b0j s LYS 560 Ca -0.03 -1.50 -0.30 0.00 -0.36 0.00 0.00 55.97 53.78 1b0j s LYS 560 Cb -0.03 -3.34 -0.08 0.00 -1.51 0.00 0.00 37.83 32.87 1b0j s LYS 560 CO 0.03 -0.80 1.01 0.08 -0.36 0.00 0.00 175.35 175.30 1b0j s VAL 561 N 1.19 4.11 -0.18 4.02 1.01 -0.11 -2.34 120.40 128.10 1b0j s VAL 561 Ca 0.01 1.90 -0.02 0.00 0.00 0.00 0.00 61.98 63.87 1b0j s VAL 561 Cb -0.21 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 1b0j s VAL 561 CO -0.03 0.37 -0.11 -0.75 0.00 0.00 0.00 175.10 174.58 1b0j s LYS 562 N -0.59 3.28 0.91 2.72 2.20 -0.58 -3.89 119.74 123.79 1b0j s LYS 562 Ca 0.46 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 1b0j s LYS 562 Cb -0.27 -2.79 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1b0j s LYS 562 CO 0.33 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.64 1b0j n GLY 563 N 4.40 -1.26 3.67 5.54 0.00 -1.26 -4.55 105.19 111.72 1b0j n GLY 563 Ca -0.19 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1b0j n GLY 563 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b0j s LYS 564 N 0.00 4.18 -0.42 1.61 2.20 -1.26 -4.51 119.74 121.54 1b0j s LYS 564 Ca 0.00 2.30 0.02 0.00 -0.36 0.00 0.00 55.97 57.93 1b0j s LYS 564 Cb 0.00 -3.94 0.15 0.00 -1.51 0.00 0.00 37.83 32.53 1b0j s LYS 564 CO 0.00 -0.84 0.28 0.00 -0.36 0.00 0.00 175.35 174.43 1b0j s THR 566 N 0.39 2.30 -0.49 0.00 2.01 -1.26 -1.13 115.64 117.46 1b0j s THR 566 Ca 0.23 0.10 0.25 0.00 0.31 0.00 0.00 61.69 62.58 1b0j s THR 566 Cb -0.13 -2.21 0.28 0.00 0.01 0.00 0.00 72.50 70.44 1b0j s THR 566 CO -0.07 -0.13 1.76 0.71 -0.69 0.00 0.00 174.62 176.20 1b0j h THR 567 N -1.77 0.00 0.00 -0.82 1.35 -0.94 -1.99 112.91 108.74 1b0j h THR 567 Ca -0.44 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1b0j h THR 567 Cb 1.26 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1b0j h THR 567 CO 0.44 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.18 1b0j n ASP 568 N -2.38 0.00 -0.06 5.36 8.00 -1.26 -1.26 116.55 124.95 1b0j n ASP 568 Ca 0.03 0.48 -0.10 0.00 0.71 0.00 0.00 54.79 55.91 1b0j n ASP 568 Cb 0.31 -0.49 -0.15 0.00 -0.02 0.00 0.00 41.12 40.78 1b0j n ASP 568 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1b0j n HIS 569 N -1.49 0.56 0.07 1.24 8.25 -0.78 -4.03 115.22 119.03 1b0j n HIS 569 Ca 0.05 0.19 -0.20 0.00 -0.26 0.00 0.00 57.72 57.51 1b0j n HIS 569 Cb 0.21 -1.10 -0.15 0.00 1.12 0.00 0.00 29.99 30.07 1b0j n HIS 569 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1b0j h ILE 570 N 0.00 1.08 -1.88 1.59 2.04 -1.36 -3.11 117.51 115.87 1b0j h ILE 570 Ca -0.41 -2.68 -0.29 0.00 1.00 0.00 0.00 64.86 62.48 1b0j h ILE 570 Cb 2.11 2.78 -0.30 0.00 -0.74 0.00 0.00 36.82 40.67 1b0j h ILE 570 CO 0.05 0.83 -0.62 -0.55 0.00 0.00 0.00 178.15 177.87 1b0j s SER 571 N -7.13 0.93 0.68 1.72 0.15 -0.39 -0.93 113.70 108.73 1b0j s SER 571 Ca -0.12 -0.98 -0.17 0.00 0.70 0.00 0.00 55.95 55.39 1b0j s SER 571 Cb 0.06 0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 65.14 1b0j s SER 571 CO 0.86 -0.32 1.00 0.00 1.20 0.00 0.00 173.24 175.99 1b0j n ALA 572 N 4.85 0.05 -2.13 5.45 0.00 -1.26 -4.52 120.51 122.95 1b0j n ALA 572 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1b0j n ALA 572 Cb 0.47 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1b0j n ALA 572 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b0j n ALA 573 N -2.23 0.00 -0.44 0.00 0.00 -1.26 -4.62 120.51 111.96 1b0j n ALA 573 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1b0j n ALA 573 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1b0j n ALA 573 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b0j n GLY 574 N 5.00 2.97 0.28 0.00 0.00 -0.71 -1.69 105.19 111.05 1b0j n GLY 574 Ca 0.00 0.28 0.19 0.00 0.00 0.00 0.00 46.02 46.49 1b0j n GLY 574 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b0j h PRO 575 N 0.00 0.00 0.00 1.61 0.13 -1.89 -1.99 132.00 129.86 1b0j h PRO 575 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1b0j h PRO 575 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1b0j h PRO 575 CO 0.00 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 178.68 1b0j n TRP 576 N -3.02 0.00 0.27 1.56 7.02 -0.68 -3.62 117.44 118.97 1b0j n TRP 576 Ca -0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.61 1b0j n TRP 576 Cb 0.22 -0.40 0.75 0.00 -2.42 0.00 0.00 31.31 29.46 1b0j n TRP 576 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1b0j h LEU 577 N 0.00 0.00 -1.87 -0.99 3.38 -1.51 -2.63 115.31 111.68 1b0j h LEU 577 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1b0j h LEU 577 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1b0j h LEU 577 CO 0.00 0.11 0.48 0.50 0.09 0.00 0.00 178.44 179.61 1b0j h LYS 578 N 0.00 0.00 -0.10 1.13 3.64 -1.80 -2.20 116.57 117.24 1b0j h LYS 578 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1b0j h LYS 578 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1b0j h LYS 578 CO 0.01 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.38 1b0j n PHE 579 N -3.44 0.18 0.15 1.91 3.72 -0.99 -4.59 117.46 114.39 1b0j n PHE 579 Ca 0.06 -0.61 0.02 0.00 -0.05 0.00 0.00 57.45 56.87 1b0j n PHE 579 Cb 0.62 -0.08 0.08 0.00 -0.94 0.00 0.00 39.48 39.16 1b0j n PHE 579 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1b0j n ARG 580 N -0.42 0.03 -0.10 -1.08 5.12 -0.83 -1.15 116.66 118.23 1b0j n ARG 580 Ca 0.07 0.31 0.07 0.00 -1.93 0.00 0.00 57.85 56.37 1b0j n ARG 580 Cb 0.40 -1.50 0.12 0.00 -1.16 0.00 0.00 32.46 30.32 1b0j n ARG 580 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b0j n GLY 581 N -1.05 1.24 2.85 -0.13 0.00 -1.18 -4.06 105.19 102.86 1b0j n GLY 581 Ca 0.01 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 1b0j n GLY 581 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1b0j s HIS 582 N -1.10 2.61 0.21 1.61 5.65 -0.30 -2.07 115.29 121.90 1b0j s HIS 582 Ca 0.23 -2.49 -0.10 0.00 0.25 0.00 0.00 55.06 52.95 1b0j s HIS 582 Cb 0.13 -2.29 0.27 0.00 -1.18 0.00 0.00 32.58 29.52 1b0j s HIS 582 CO 0.19 -0.86 1.72 1.25 -0.65 0.00 0.00 174.74 176.39 1b0j h LEU 583 N 7.41 0.10 -0.73 8.88 5.85 -1.86 -1.46 115.31 133.50 1b0j h LEU 583 Ca -0.07 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1b0j h LEU 583 Cb 0.98 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1b0j h LEU 583 CO 0.52 0.06 -0.03 -0.78 -0.34 0.00 0.00 178.44 177.87 1b0j h ASP 584 N 0.32 0.93 -0.17 1.25 3.58 -1.95 -0.40 116.42 119.97 1b0j h ASP 584 Ca 0.30 -0.26 -0.21 0.00 0.42 0.00 0.00 57.03 57.28 1b0j h ASP 584 Cb 0.41 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.22 1b0j h ASP 584 CO -0.35 1.00 -0.71 0.78 -2.88 0.00 0.00 179.24 177.08 1b0j h ASN 585 N 0.87 0.92 0.33 2.28 -0.26 -1.84 -3.19 115.58 114.69 1b0j h ASN 585 Ca 0.15 -0.61 -0.12 0.00 -0.56 0.00 0.00 56.30 55.16 1b0j h ASN 585 Cb 0.55 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.53 1b0j h ASN 585 CO 0.03 1.38 -0.50 -0.29 -1.06 0.00 0.00 177.43 176.99 1b0j h ILE 586 N 0.51 1.35 0.00 2.81 6.09 -1.25 -2.96 117.51 124.06 1b0j h ILE 586 Ca -0.04 -1.73 0.00 0.00 -1.37 0.00 0.00 64.86 61.72 1b0j h ILE 586 Cb 1.34 1.85 0.00 0.00 0.47 0.00 0.00 36.82 40.47 1b0j h ILE 586 CO 0.15 0.51 0.16 -1.20 -3.07 0.00 0.00 178.15 174.69 1b0j n SER 587 N -3.95 0.00 -0.09 2.19 7.64 -0.17 -1.57 113.62 117.67 1b0j n SER 587 Ca -0.02 0.27 0.15 0.00 1.01 0.00 0.00 58.87 60.28 1b0j n SER 587 Cb 0.54 -0.27 0.73 0.00 -1.01 0.00 0.00 64.21 64.19 1b0j n SER 587 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1b0j n ASN 588 N -1.24 0.32 -1.13 6.43 3.02 -1.12 -2.96 115.26 118.57 1b0j n ASN 588 Ca 0.00 -0.66 0.12 0.00 -0.03 0.00 0.00 54.58 54.01 1b0j n ASN 588 Cb 0.16 -0.10 0.20 0.00 -0.61 0.00 0.00 39.78 39.43 1b0j n ASN 588 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1b0j n ASN 589 N -0.95 3.43 -4.68 6.41 2.04 -0.61 -4.78 115.26 116.11 1b0j n ASN 589 Ca 0.17 -1.99 -0.51 0.00 -0.44 0.00 0.00 54.58 51.81 1b0j n ASN 589 Cb 0.23 -0.22 -0.06 0.00 -2.53 0.00 0.00 39.78 37.20 1b0j n ASN 589 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 1b0j n LEU 590 N 1.48 2.89 -1.41 -4.53 7.94 -1.15 -2.30 117.00 119.91 1b0j n LEU 590 Ca 0.19 1.03 -0.14 0.00 -1.11 0.00 0.00 56.01 55.98 1b0j n LEU 590 Cb 0.61 -1.28 -0.06 0.00 0.53 0.00 0.00 43.42 43.21 1b0j n LEU 590 CO 0.16 -0.30 -0.14 0.18 -1.11 0.00 0.00 177.39 176.18 1b0j n LEU 591 N 5.46 -1.03 0.06 -1.96 4.77 -0.10 -4.00 117.00 120.20 1b0j n LEU 591 Ca 0.23 0.35 0.09 0.00 -0.03 0.00 0.00 56.01 56.64 1b0j n LEU 591 Cb 0.23 -2.11 0.37 0.00 -2.33 0.00 0.00 43.42 39.58 1b0j n LEU 591 CO 0.74 -0.75 0.76 2.30 -1.33 0.00 0.00 177.39 179.11 1b0j n ILE 592 N -1.94 1.04 0.35 -0.08 -5.35 -0.97 -2.44 119.36 109.96 1b0j n ILE 592 Ca -0.14 0.31 0.11 0.00 -0.27 0.00 0.00 62.75 62.76 1b0j n ILE 592 Cb 0.47 -1.18 -0.13 0.00 -1.74 0.00 0.00 39.64 37.06 1b0j n ILE 592 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1b0j n GLY 593 N -0.27 -1.04 3.76 3.28 0.00 -1.18 -3.26 105.19 106.49 1b0j n GLY 593 Ca 0.02 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 1b0j n GLY 593 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b0j s ALA 594 N -3.33 2.88 -0.29 4.61 0.00 -1.02 -4.87 121.76 119.74 1b0j s ALA 594 Ca -0.02 1.18 -0.21 0.00 0.00 0.00 0.00 51.96 52.91 1b0j s ALA 594 Cb 0.14 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1b0j s ALA 594 CO 0.88 -1.10 0.69 0.42 0.00 0.00 0.00 175.76 176.65 1b0j s ILE 595 N -1.40 4.90 0.10 0.00 -1.09 -1.26 -3.76 121.20 118.69 1b0j s ILE 595 Ca 0.69 1.05 -0.31 0.00 -2.23 0.00 0.00 60.65 59.85 1b0j s ILE 595 Cb -0.36 -4.03 -0.07 0.00 -1.58 0.00 0.00 42.46 36.42 1b0j s ILE 595 CO 0.43 -0.13 1.27 0.21 -1.23 0.00 0.00 174.94 175.49 1b0j s ASN 596 N 1.58 6.98 0.38 3.58 2.47 -0.61 -1.53 114.94 127.79 1b0j s ASN 596 Ca 0.28 2.16 0.18 0.00 0.42 0.00 0.00 52.86 55.91 1b0j s ASN 596 Cb -0.15 -2.59 0.71 0.00 -1.45 0.00 0.00 41.25 37.78 1b0j s ASN 596 CO 0.11 -0.53 1.75 -0.29 -3.72 0.00 0.00 177.10 174.42 1b0j h ILE 597 N 4.32 0.91 -0.77 -5.21 2.10 -1.80 0.22 117.51 117.29 1b0j h ILE 597 Ca -0.42 -1.47 -0.02 0.00 1.08 0.00 0.00 64.86 64.02 1b0j h ILE 597 Cb 1.21 1.89 -0.04 0.00 -1.09 0.00 0.00 36.82 38.79 1b0j h ILE 597 CO 0.82 0.36 0.38 -0.08 -1.08 0.00 0.00 178.15 178.56 1b0j h GLU 598 N 0.00 1.09 0.00 2.19 4.81 -1.92 -3.33 114.58 117.41 1b0j h GLU 598 Ca -0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1b0j h GLU 598 Cb 0.86 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1b0j h GLU 598 CO 0.05 0.83 0.00 0.27 -0.73 0.00 0.00 179.01 179.43 1b0j n ASN 599 N -4.33 0.44 -3.28 1.04 0.23 -1.22 -5.03 115.26 103.12 1b0j n ASN 599 Ca 0.08 -0.79 -0.18 0.00 -0.53 0.00 0.00 54.58 53.15 1b0j n ASN 599 Cb 0.13 0.20 0.08 0.00 -2.08 0.00 0.00 39.78 38.11 1b0j n ASN 599 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1b0j n ARG 600 N -0.20 -6.63 -4.10 -3.83 1.74 0.78 -5.00 116.66 99.41 1b0j n ARG 600 Ca 0.00 0.77 -0.15 0.00 -0.77 0.00 0.00 57.85 57.71 1b0j n ARG 600 Cb 0.06 -5.60 -0.14 0.00 -1.02 0.00 0.00 32.46 25.76 1b0j n ARG 600 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1b0j s LYS 601 N -5.66 0.41 -0.19 5.56 2.20 -1.21 -4.89 119.74 115.95 1b0j s LYS 601 Ca 0.23 -0.32 -0.24 0.00 -0.36 0.00 0.00 55.97 55.28 1b0j s LYS 601 Cb -0.10 -0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 35.87 1b0j s LYS 601 CO 0.67 0.08 0.77 0.00 -0.36 0.00 0.00 175.35 176.51 1b0j s ALA 602 N -0.47 3.55 -1.18 3.13 0.00 -1.26 -1.57 121.76 123.97 1b0j s ALA 602 Ca -0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 1b0j s ALA 602 Cb -0.04 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.93 1b0j s ALA 602 CO -0.00 -0.67 0.76 -1.71 0.00 0.00 0.00 175.76 174.14 1b0j n ASN 603 N 5.32 -5.46 -3.35 0.00 5.15 -1.20 -4.97 115.26 110.75 1b0j n ASN 603 Ca 0.03 -0.35 -0.20 0.00 -0.60 0.00 0.00 54.58 53.45 1b0j n ASN 603 Cb 0.49 -4.16 -0.08 0.00 -0.53 0.00 0.00 39.78 35.49 1b0j n ASN 603 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1b0j s SER 604 N -3.05 1.44 0.12 1.20 0.15 -1.23 -3.57 113.70 108.76 1b0j s SER 604 Ca 0.38 -1.99 0.10 0.00 0.70 0.00 0.00 55.95 55.15 1b0j s SER 604 Cb -0.17 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.37 1b0j s SER 604 CO 0.47 -0.24 -0.26 0.68 1.20 0.00 0.00 173.24 175.09 1b0j s VAL 605 N 1.07 2.16 -0.03 4.45 -7.23 -0.44 -4.84 120.40 115.54 1b0j s VAL 605 Ca 0.21 -1.70 -0.30 0.00 -1.81 0.00 0.00 61.98 58.38 1b0j s VAL 605 Cb -0.13 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 1b0j s VAL 605 CO -0.05 0.08 1.32 -0.60 -0.31 0.00 0.00 175.10 175.55 1b0j s ARG 606 N -1.98 4.30 -0.34 4.82 3.52 -1.26 -0.45 118.95 127.56 1b0j s ARG 606 Ca 0.13 1.85 -0.29 0.00 -0.13 0.00 0.00 55.73 57.28 1b0j s ARG 606 Cb -0.10 -3.58 0.02 0.00 -1.56 0.00 0.00 34.95 29.73 1b0j s ARG 606 CO 0.05 -0.54 1.11 1.21 -0.81 0.00 0.00 175.30 176.33 1b0j s ASN 607 N 1.75 6.85 0.54 -2.12 3.84 -0.30 -4.92 114.94 120.59 1b0j s ASN 607 Ca 0.61 0.97 0.34 0.00 0.21 0.00 0.00 52.86 54.99 1b0j s ASN 607 Cb -0.29 -2.54 1.52 0.00 -0.55 0.00 0.00 41.25 39.39 1b0j s ASN 607 CO 0.24 -0.97 1.84 0.00 -2.79 0.00 0.00 177.10 175.43 1b0j h ALA 608 N 8.41 3.00 0.05 1.71 0.00 -1.95 0.99 119.26 131.47 1b0j h ALA 608 Ca -0.21 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.36 1b0j h ALA 608 Cb 1.06 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1b0j h ALA 608 CO 1.05 -1.31 -1.62 0.28 0.00 0.00 0.00 179.25 177.65 1b0j n VAL 609 N -4.22 1.63 0.63 0.00 0.31 -1.26 -4.41 118.33 111.01 1b0j n VAL 609 Ca 0.22 -0.29 0.11 0.00 -0.01 0.00 0.00 64.34 64.37 1b0j n VAL 609 Cb 1.12 -1.91 -0.01 0.00 -0.91 0.00 0.00 33.84 32.13 1b0j n VAL 609 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1b0j n THR 610 N -4.04 0.10 -1.76 2.52 -2.24 -1.17 -4.98 114.28 102.71 1b0j n THR 610 Ca -0.33 -0.20 -0.15 0.00 -2.27 0.00 0.00 64.05 61.10 1b0j n THR 610 Cb 0.84 0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 1b0j n THR 610 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b0j n GLN 611 N -1.86 -1.58 -3.91 -0.78 1.13 0.33 -4.98 117.38 105.73 1b0j n GLN 611 Ca 0.02 0.81 -0.33 0.00 -1.94 0.00 0.00 57.00 55.56 1b0j n GLN 611 Cb 0.42 -5.19 -0.05 0.00 0.11 0.00 0.00 30.24 25.53 1b0j n GLN 611 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1b0j s GLU 612 N -3.84 3.44 -0.08 -1.09 0.41 -1.26 -4.84 118.70 111.44 1b0j s GLU 612 Ca 0.00 -0.36 -0.18 0.00 -0.41 0.00 0.00 54.97 54.02 1b0j s GLU 612 Cb 0.00 -3.08 -0.05 0.00 -1.78 0.00 0.00 34.13 29.22 1b0j s GLU 612 CO 0.00 0.66 0.50 -0.06 -0.49 0.00 0.00 175.26 175.86 1b0j s PHE 613 N -1.38 3.57 0.00 1.61 0.40 -1.26 -1.15 117.98 119.78 1b0j s PHE 613 Ca 0.30 0.97 0.00 0.00 -0.60 0.00 0.00 56.93 57.60 1b0j s PHE 613 Cb -0.13 -2.54 0.00 0.00 0.51 0.00 0.00 43.02 40.86 1b0j s PHE 613 CO 0.21 0.26 0.00 0.41 0.70 0.00 0.00 175.22 176.80 1b0j n GLY 614 N 2.93 3.12 3.77 4.36 0.00 0.41 -4.87 105.19 114.91 1b0j n GLY 614 Ca -0.08 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 1b0j n GLY 614 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1b0j s PRO 615 N -0.42 4.14 0.13 1.61 0.02 -1.23 -1.33 135.00 137.92 1b0j s PRO 615 Ca 0.00 2.09 -0.19 0.00 0.02 0.00 0.00 61.00 62.92 1b0j s PRO 615 Cb 0.00 -2.86 -0.01 0.00 0.02 0.00 0.00 34.50 31.65 1b0j s PRO 615 CO 0.00 -0.33 1.74 0.28 -0.33 0.00 0.00 177.00 178.36 1b0j h VAL 616 N 2.64 0.91 -0.31 3.83 2.07 -1.85 -1.94 116.25 121.60 1b0j h VAL 616 Ca -0.49 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.04 1b0j h VAL 616 Cb 1.24 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 1b0j h VAL 616 CO 0.64 0.03 -0.13 -0.65 0.02 0.00 0.00 177.57 177.48 1b0j h PRO 617 N 0.16 -0.07 -0.15 1.57 0.11 -1.87 -1.82 132.00 129.92 1b0j h PRO 617 Ca 0.11 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.16 1b0j h PRO 617 Cb 0.10 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 1b0j h PRO 617 CO -0.13 -0.05 -0.20 -0.44 -0.21 0.00 0.00 178.00 176.97 1b0j h ASP 618 N -0.07 0.26 -0.06 -2.05 5.19 -1.93 -0.66 116.42 117.10 1b0j h ASP 618 Ca 0.16 -0.07 -0.22 0.00 -0.62 0.00 0.00 57.03 56.28 1b0j h ASP 618 Cb 0.31 -0.07 0.01 0.00 0.18 0.00 0.00 39.33 39.76 1b0j h ASP 618 CO -0.36 0.48 -0.78 0.74 -3.12 0.00 0.00 179.24 176.19 1b0j h THR 619 N 0.24 1.30 -0.45 0.35 2.02 -0.66 -1.17 112.91 114.54 1b0j h THR 619 Ca 0.04 -2.02 -0.06 0.00 0.77 0.00 0.00 66.41 65.14 1b0j h THR 619 Cb 0.50 2.03 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 1b0j h THR 619 CO 0.03 0.63 0.06 0.00 0.37 0.00 0.00 175.52 176.62 1b0j h ALA 620 N 0.63 0.60 -0.61 6.16 0.00 -1.18 0.07 119.26 124.94 1b0j h ALA 620 Ca -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1b0j h ALA 620 Cb 1.40 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1b0j h ALA 620 CO 0.16 0.34 0.31 0.00 0.00 0.00 0.00 179.25 180.05 1b0j h ARG 621 N 0.62 0.87 -0.26 0.00 3.08 -1.03 0.51 114.38 118.17 1b0j h ARG 621 Ca 0.14 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 60.11 1b0j h ARG 621 Cb 0.41 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1b0j h ARG 621 CO 0.01 0.68 0.03 -0.92 -1.07 0.00 0.00 179.97 178.70 1b0j h TYR 622 N 0.83 0.04 -0.67 3.04 5.03 -0.95 0.46 116.97 124.75 1b0j h TYR 622 Ca 0.21 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.53 1b0j h TYR 622 Cb 0.09 0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.36 1b0j h TYR 622 CO -0.00 -0.01 0.37 1.88 -1.32 0.00 0.00 178.16 179.08 1b0j h TYR 623 N 0.12 0.92 -0.50 -3.82 0.05 -0.39 -2.02 116.97 111.32 1b0j h TYR 623 Ca 0.12 -0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.91 1b0j h TYR 623 Cb 0.14 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.55 1b0j h TYR 623 CO -0.18 0.65 0.29 -0.22 -1.05 0.00 0.00 178.16 177.66 1b0j h LYS 624 N 0.91 0.57 -0.81 4.88 3.64 -0.20 0.15 116.57 125.72 1b0j h LYS 624 Ca 0.24 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 1b0j h LYS 624 Cb 0.03 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.68 1b0j h LYS 624 CO -0.04 0.38 0.54 0.37 -2.27 0.00 0.00 179.45 178.42 1b0j h GLN 625 N 0.59 0.95 -0.51 1.90 4.15 -0.69 -2.58 115.11 118.92 1b0j h GLN 625 Ca 0.21 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1b0j h GLN 625 Cb 0.04 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.51 1b0j h GLN 625 CO -0.10 0.63 0.00 0.72 -1.93 0.00 0.00 178.83 178.15 1b0j n HIS 626 N -4.46 0.68 -0.93 3.99 8.25 -0.78 -4.96 115.22 117.01 1b0j n HIS 626 Ca 0.11 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1b0j n HIS 626 Cb 0.13 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1b0j n HIS 626 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b0j n GLY 627 N 1.53 0.43 3.50 -1.41 0.00 -0.70 -5.04 105.19 103.50 1b0j n GLY 627 Ca 0.21 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 1b0j n GLY 627 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b0j s ILE 628 N -2.00 4.95 0.02 -0.61 1.01 0.45 -5.00 121.20 120.02 1b0j s ILE 628 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 1b0j s ILE 628 Cb 0.00 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 1b0j s ILE 628 CO 0.00 -0.51 1.16 -0.13 0.00 0.00 0.00 174.94 175.45 1b0j s ARG 629 N 2.50 4.44 0.36 2.79 0.52 -1.26 -4.13 118.95 124.16 1b0j s ARG 629 Ca 0.18 1.68 0.05 0.00 -0.52 0.00 0.00 55.73 57.12 1b0j s ARG 629 Cb -0.15 -3.41 -0.07 0.00 0.52 0.00 0.00 34.95 31.83 1b0j s ARG 629 CO 0.16 -0.26 0.04 1.67 0.02 0.00 0.00 175.30 176.93 1b0j s TRP 630 N 1.31 2.20 0.07 -0.53 1.48 -1.22 -1.40 118.94 120.85 1b0j s TRP 630 Ca 0.57 -0.84 0.02 0.00 -1.06 0.00 0.00 56.10 54.79 1b0j s TRP 630 Cb -0.27 -1.50 -0.03 0.00 -1.16 0.00 0.00 33.47 30.51 1b0j s TRP 630 CO 0.27 0.20 -0.08 0.54 -4.06 0.00 0.00 176.95 173.82 1b0j s VAL 631 N -3.04 0.66 0.01 -0.66 0.11 -0.35 -0.63 120.40 116.50 1b0j s VAL 631 Ca 0.35 -1.50 0.08 0.00 -2.93 0.00 0.00 61.98 57.98 1b0j s VAL 631 Cb 0.09 -1.14 -0.03 0.00 -1.53 0.00 0.00 36.38 33.77 1b0j s VAL 631 CO 0.16 -0.60 -0.22 -0.69 -3.33 0.00 0.00 175.10 170.42 1b0j s VAL 632 N -2.41 2.41 -0.19 2.04 1.01 -1.03 -0.71 120.40 121.52 1b0j s VAL 632 Ca 0.01 -1.17 -0.02 0.00 0.00 0.00 0.00 61.98 60.81 1b0j s VAL 632 Cb -0.03 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 1b0j s VAL 632 CO -0.02 0.45 -0.11 -0.63 0.00 0.00 0.00 175.10 174.79 1b0j s ILE 633 N -0.77 2.88 0.35 2.22 -1.09 -0.78 -0.88 121.20 123.13 1b0j s ILE 633 Ca 0.12 -0.67 0.05 0.00 -2.23 0.00 0.00 60.65 57.91 1b0j s ILE 633 Cb -0.10 -2.27 -0.07 0.00 -1.58 0.00 0.00 42.46 38.44 1b0j s ILE 633 CO 0.02 0.48 0.05 -0.83 -1.23 0.00 0.00 174.94 173.42 1b0j s GLY 634 N 1.21 2.19 0.00 6.18 0.00 0.34 -0.94 107.32 116.30 1b0j s GLY 634 Ca 0.02 -2.12 0.00 0.00 0.00 0.00 0.00 44.72 42.62 1b0j s GLY 634 CO -0.04 -1.89 0.00 1.34 0.00 0.00 0.00 173.10 172.51 1b0j n ASP 635 N -0.76 0.00 -4.81 1.64 -0.08 -1.25 -3.07 116.55 108.22 1b0j n ASP 635 Ca -0.03 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.88 1b0j n ASP 635 Cb 0.67 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.06 1b0j n ASP 635 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1b0j s GLU 636 N 1.99 3.93 -0.89 -0.67 2.02 -1.26 -1.33 118.70 122.49 1b0j s GLU 636 Ca 0.00 0.21 -0.01 0.00 0.02 0.00 0.00 54.97 55.19 1b0j s GLU 636 Cb 0.00 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 30.94 1b0j s GLU 636 CO 0.00 0.56 0.75 -1.71 0.02 0.00 0.00 175.26 174.88 1b0j n ASN 637 N 2.43 -2.83 -4.70 -0.19 4.05 -0.88 -4.78 115.26 108.36 1b0j n ASN 637 Ca -0.14 -0.49 -0.42 0.00 0.45 0.00 0.00 54.58 53.98 1b0j n ASN 637 Cb 0.53 -4.06 -0.03 0.00 1.23 0.00 0.00 39.78 37.45 1b0j n ASN 637 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1b0j s TYR 638 N -3.28 3.57 0.00 1.20 5.04 -0.85 -2.77 117.35 120.26 1b0j s TYR 638 Ca 0.08 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 56.22 1b0j s TYR 638 Cb -0.01 -3.05 0.00 0.00 0.35 0.00 0.00 41.96 39.25 1b0j s TYR 638 CO 0.56 -0.08 0.00 0.41 -1.34 0.00 0.00 175.55 175.10 1b0j n GLY 639 N 3.07 1.04 3.59 8.97 0.00 -0.28 -1.81 105.19 119.77 1b0j n GLY 639 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 1b0j n GLY 639 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b0j n GLU 640 N -1.90 1.32 0.00 1.61 2.13 -1.11 -4.32 120.64 118.37 1b0j n GLU 640 Ca 0.00 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.28 1b0j n GLU 640 Cb 0.00 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 29.86 1b0j n GLU 640 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1b0j n GLY 641 N 1.35 0.25 3.54 8.31 0.00 -1.26 -0.43 105.19 116.94 1b0j n GLY 641 Ca 0.10 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 43.87 1b0j n GLY 641 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b0j n ALA 642 N -0.59 -0.55 1.51 4.61 0.00 -1.26 -4.86 120.51 119.37 1b0j n ALA 642 Ca 0.00 0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.65 1b0j n ALA 642 Cb 0.00 -1.95 0.59 0.00 0.00 0.00 0.00 19.45 18.09 1b0j n ALA 642 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1b0j n SER 643 N 0.29 0.88 -3.77 0.00 3.41 -1.26 -4.76 113.62 108.41 1b0j n SER 643 Ca 0.12 -1.05 -0.53 0.00 -0.26 0.00 0.00 58.87 57.14 1b0j n SER 643 Cb 0.44 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.29 1b0j n SER 643 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1b0j n ARG 644 N -0.48 0.00 0.00 4.33 1.85 -1.26 -4.53 116.66 116.57 1b0j n ARG 644 Ca 0.17 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 57.06 1b0j n ARG 644 Cb 0.29 -1.33 0.20 0.00 -1.05 0.00 0.00 32.46 30.57 1b0j n ARG 644 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1b0j n GLU 645 N 6.54 0.12 -0.03 2.89 0.28 -1.26 -2.83 120.64 126.34 1b0j n GLU 645 Ca 0.48 0.20 0.01 0.00 -0.16 0.00 0.00 57.16 57.69 1b0j n GLU 645 Cb -0.04 -1.50 0.32 0.00 1.43 0.00 0.00 31.44 31.65 1b0j n GLU 645 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1b0j h HIS 646 N 0.00 0.60 0.00 -1.84 3.86 -1.98 -1.41 115.15 114.38 1b0j h HIS 646 Ca 0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1b0j h HIS 646 Cb 0.07 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1b0j h HIS 646 CO 0.00 0.50 0.00 0.43 0.86 0.00 0.00 177.93 179.72 1b0j n SER 647 N -4.34 0.35 -0.06 2.45 7.64 -1.13 -0.40 113.62 118.13 1b0j n SER 647 Ca 0.03 0.63 -0.06 0.00 1.01 0.00 0.00 58.87 60.48 1b0j n SER 647 Cb 0.17 -0.69 -0.08 0.00 -1.01 0.00 0.00 64.21 62.60 1b0j n SER 647 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b0j n ALA 648 N -1.66 1.73 -0.13 -0.43 0.00 -0.69 -4.56 120.51 114.77 1b0j n ALA 648 Ca 0.01 -0.70 -0.11 0.00 0.00 0.00 0.00 53.44 52.63 1b0j n ALA 648 Cb 0.09 0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.56 1b0j n ALA 648 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1b0j h LEU 649 N 0.00 0.67 0.66 0.00 3.38 -0.33 -3.13 115.31 116.55 1b0j h LEU 649 Ca -0.30 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.31 1b0j h LEU 649 Cb 1.65 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 42.22 1b0j h LEU 649 CO 0.01 0.84 -0.32 -0.33 0.09 0.00 0.00 178.44 178.73 1b0j h GLU 650 N 0.49 -0.86 -0.96 1.13 5.08 -0.99 -1.06 114.58 117.41 1b0j h GLU 650 Ca 0.10 0.06 0.19 0.00 -1.00 0.00 0.00 59.36 58.71 1b0j h GLU 650 Cb 0.51 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.87 1b0j h GLU 650 CO 0.03 -0.56 0.61 -1.00 -1.00 0.00 0.00 179.01 177.08 1b0j h PRO 651 N -0.92 0.57 -0.58 2.33 0.13 -1.80 -1.57 132.00 130.16 1b0j h PRO 651 Ca -0.09 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.95 1b0j h PRO 651 Cb 0.69 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 1b0j h PRO 651 CO 0.15 0.38 0.16 -0.09 -0.23 0.00 0.00 178.00 178.37 1b0j h ARG 652 N 0.59 0.91 -0.70 0.86 9.65 -1.45 -0.33 114.38 123.92 1b0j h ARG 652 Ca 0.52 -0.21 -0.05 0.00 -1.10 0.00 0.00 59.98 59.15 1b0j h ARG 652 Cb 1.03 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.45 1b0j h ARG 652 CO -0.27 0.83 0.25 1.25 2.80 0.00 0.00 179.97 184.83 1b0j h HIS 653 N 0.83 1.09 -0.34 2.20 2.76 -0.25 -2.99 115.15 118.45 1b0j h HIS 653 Ca 0.19 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1b0j h HIS 653 Cb 0.31 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.95 1b0j h HIS 653 CO 0.02 0.86 0.00 1.28 -1.30 0.00 0.00 177.93 178.79 1b0j n LEU 654 N -4.34 3.67 0.00 0.26 4.77 -0.80 -4.91 117.00 115.65 1b0j n LEU 654 Ca 0.05 -1.86 0.00 0.00 -0.03 0.00 0.00 56.01 54.17 1b0j n LEU 654 Cb 0.20 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1b0j n LEU 654 CO 0.41 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1b0j n GLY 655 N 0.42 0.50 3.77 -0.72 0.00 -1.07 -4.46 105.19 103.63 1b0j n GLY 655 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1b0j n GLY 655 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b0j s GLY 656 N -1.16 2.93 -0.07 -0.02 0.00 -0.16 -3.45 107.32 105.39 1b0j s GLY 656 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 44.72 46.01 1b0j s GLY 656 CO 0.00 1.88 -0.06 -2.13 0.00 0.00 0.00 173.10 172.79 1b0j n ARG 657 N 0.12 0.17 -3.75 2.90 3.00 0.20 -4.47 116.66 114.83 1b0j n ARG 657 Ca 0.04 0.04 -0.11 0.00 -0.00 0.00 0.00 57.85 57.82 1b0j n ARG 657 Cb 0.43 -1.13 -0.07 0.00 0.00 0.00 0.00 32.46 31.70 1b0j n ARG 657 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1b0j s ALA 658 N -2.14 -0.63 -0.04 5.13 0.00 -1.26 -3.13 121.76 119.70 1b0j s ALA 658 Ca -0.09 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 51.72 1b0j s ALA 658 Cb 0.02 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.61 1b0j s ALA 658 CO 0.16 -0.49 -0.07 0.42 0.00 0.00 0.00 175.76 175.77 1b0j s ILE 659 N -3.19 0.71 -0.13 0.00 -1.09 -0.63 -2.48 121.20 114.39 1b0j s ILE 659 Ca -0.00 -0.26 -0.00 0.00 -2.23 0.00 0.00 60.65 58.15 1b0j s ILE 659 Cb 0.01 -0.67 0.03 0.00 -1.58 0.00 0.00 42.46 40.25 1b0j s ILE 659 CO -0.07 0.25 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.17 1b0j s ILE 660 N 0.58 1.13 0.23 2.92 1.01 -0.06 -1.01 121.20 125.99 1b0j s ILE 660 Ca -0.09 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.17 1b0j s ILE 660 Cb -0.12 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 1b0j s ILE 660 CO 0.01 0.32 0.02 0.42 0.00 0.00 0.00 174.94 175.72 1b0j s THR 661 N 1.66 0.85 0.02 2.92 -4.23 -0.58 -0.50 115.64 115.77 1b0j s THR 661 Ca 0.04 -2.01 -0.19 0.00 -1.18 0.00 0.00 61.69 58.34 1b0j s THR 661 Cb -0.13 -2.39 -0.20 0.00 1.34 0.00 0.00 72.50 71.11 1b0j s THR 661 CO -0.08 -0.26 1.17 0.11 -0.54 0.00 0.00 174.62 175.01 1b0j h LYS 662 N 2.48 0.43 -3.86 3.99 1.57 -1.13 -2.51 116.57 117.53 1b0j h LYS 662 Ca -0.38 -0.38 -0.09 0.00 -1.87 0.00 0.00 60.65 57.92 1b0j h LYS 662 Cb 1.23 0.09 -0.14 0.00 0.08 0.00 0.00 32.23 33.49 1b0j h LYS 662 CO 0.64 1.03 -0.38 -1.54 -0.57 0.00 0.00 179.45 178.63 1b0j s SER 663 N -6.62 0.12 0.27 0.86 1.04 -1.17 -4.62 113.70 103.58 1b0j s SER 663 Ca -0.13 -0.72 0.11 0.00 0.48 0.00 0.00 55.95 55.68 1b0j s SER 663 Cb 0.04 0.35 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 1b0j s SER 663 CO 0.81 -0.76 -0.11 -0.36 0.98 0.00 0.00 173.24 173.80 1b0j s PHE 664 N -3.89 2.48 0.15 5.02 0.08 -1.26 -2.01 117.98 118.55 1b0j s PHE 664 Ca 0.08 -0.28 -0.12 0.00 0.12 0.00 0.00 56.93 56.73 1b0j s PHE 664 Cb 0.05 -1.09 -0.07 0.00 -0.57 0.00 0.00 43.02 41.34 1b0j s PHE 664 CO -0.08 0.67 0.51 0.00 -0.10 0.00 0.00 175.22 176.22 1b0j s ALA 665 N -2.41 3.61 0.12 5.36 0.00 -0.75 -4.73 121.76 122.96 1b0j s ALA 665 Ca 0.30 -0.23 -0.23 0.00 0.00 0.00 0.00 51.96 51.81 1b0j s ALA 665 Cb -0.06 -2.44 -0.06 0.00 0.00 0.00 0.00 23.12 20.56 1b0j s ALA 665 CO 0.17 0.50 1.69 -0.09 0.00 0.00 0.00 175.76 178.02 1b0j h ARG 666 N 3.33 -0.17 -0.35 0.00 2.43 -1.90 -2.68 114.38 115.05 1b0j h ARG 666 Ca -0.48 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 58.62 1b0j h ARG 666 Cb 1.19 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1b0j h ARG 666 CO 0.67 -0.11 -0.10 0.82 -1.51 0.00 0.00 179.97 179.74 1b0j h ILE 667 N -0.17 1.28 -0.68 1.20 2.04 -1.94 -2.06 117.51 117.19 1b0j h ILE 667 Ca 0.06 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.74 1b0j h ILE 667 Cb 0.25 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1b0j h ILE 667 CO -0.15 0.38 0.39 -0.74 0.00 0.00 0.00 178.15 178.02 1b0j h HIS 668 N 0.47 0.91 -0.56 1.37 2.76 -1.79 -0.02 115.15 118.28 1b0j h HIS 668 Ca 0.09 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.18 1b0j h HIS 668 Cb 0.60 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 1b0j h HIS 668 CO 0.05 0.62 0.07 1.49 -1.30 0.00 0.00 177.93 178.87 1b0j h GLU 669 N 0.94 0.94 0.04 5.26 4.81 -1.06 -0.80 114.58 124.71 1b0j h GLU 669 Ca 0.24 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1b0j h GLU 669 Cb 0.00 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1b0j h GLU 669 CO -0.04 0.91 -0.02 1.15 -0.73 0.00 0.00 179.01 180.28 1b0j h THR 670 N 0.83 1.07 -0.66 0.32 2.02 -1.08 -2.42 112.91 112.98 1b0j h THR 670 Ca 0.17 -0.32 0.12 0.00 0.77 0.00 0.00 66.41 67.15 1b0j h THR 670 Cb 0.44 1.28 -0.08 0.00 -1.74 0.00 0.00 68.15 68.04 1b0j h THR 670 CO 0.01 0.08 0.23 0.78 0.37 0.00 0.00 175.52 176.99 1b0j h ASN 671 N -0.19 0.18 -0.32 4.18 -0.26 -0.87 -1.69 115.58 116.62 1b0j h ASN 671 Ca -0.00 0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.82 1b0j h ASN 671 Cb 0.17 0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.51 1b0j h ASN 671 CO 0.01 0.09 0.17 -0.07 -1.06 0.00 0.00 177.43 176.57 1b0j h LEU 672 N 0.38 0.44 -0.12 1.61 3.38 -1.06 -2.91 115.31 117.03 1b0j h LEU 672 Ca 0.35 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.20 1b0j h LEU 672 Cb 0.49 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1b0j h LEU 672 CO -0.37 0.38 -0.40 0.11 0.09 0.00 0.00 178.44 178.25 1b0j h LYS 673 N 0.50 0.00 -0.46 1.13 1.57 -0.81 -1.97 116.57 116.53 1b0j h LYS 673 Ca 0.13 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1b0j h LYS 673 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1b0j h LYS 673 CO -0.02 0.40 -0.13 0.87 -0.57 0.00 0.00 179.45 180.01 1b0j h LYS 674 N 0.00 0.85 -0.61 3.15 1.79 -1.23 -2.97 116.57 117.56 1b0j h LYS 674 Ca -0.00 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1b0j h LYS 674 Cb 1.26 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1b0j h LYS 674 CO 0.05 0.93 0.00 1.04 -1.08 0.00 0.00 179.45 180.39 1b0j n GLN 675 N -4.15 2.33 -0.65 3.15 1.13 -1.14 -1.13 117.38 116.92 1b0j n GLN 675 Ca 0.01 -1.32 0.00 0.00 -1.94 0.00 0.00 57.00 53.75 1b0j n GLN 675 Cb 0.39 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 29.14 1b0j n GLN 675 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1b0j n GLY 676 N 0.60 0.77 3.97 1.08 0.00 -1.12 -4.73 105.19 105.75 1b0j n GLY 676 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1b0j n GLY 676 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b0j s LEU 677 N 0.00 3.20 -0.51 0.99 1.43 -0.74 -4.84 118.68 118.20 1b0j s LEU 677 Ca 0.00 0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1b0j s LEU 677 Cb 0.00 -2.85 0.13 0.00 0.03 0.00 0.00 46.19 43.50 1b0j s LEU 677 CO 0.00 -1.24 0.33 -0.76 0.23 0.00 0.00 176.35 174.91 1b0j s LEU 678 N -4.84 5.42 -0.27 1.79 1.43 -1.18 -4.40 118.68 116.61 1b0j s LEU 678 Ca 0.58 -2.29 -0.29 0.00 -1.03 0.00 0.00 54.13 51.10 1b0j s LEU 678 Cb -0.10 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.23 1b0j s LEU 678 CO 0.39 -0.53 1.11 -2.16 0.23 0.00 0.00 176.35 175.40 1b0j s PRO 679 N 0.78 4.13 0.01 1.29 0.04 -1.26 -1.60 135.00 138.38 1b0j s PRO 679 Ca 0.11 1.24 0.05 0.00 0.04 0.00 0.00 61.00 62.43 1b0j s PRO 679 Cb -0.22 -3.72 -0.02 0.00 0.04 0.00 0.00 34.50 30.58 1b0j s PRO 679 CO -0.03 -0.82 -0.14 -0.51 0.04 0.00 0.00 177.00 175.53 1b0j s LEU 680 N 3.57 2.09 0.07 -3.56 1.43 -0.18 -4.75 118.68 117.35 1b0j s LEU 680 Ca 0.47 -0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.28 1b0j s LEU 680 Cb -0.14 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.36 1b0j s LEU 680 CO 0.13 0.12 -0.08 0.42 0.23 0.00 0.00 176.35 177.17 1b0j s THR 681 N -0.55 3.52 0.14 5.49 -4.23 -0.40 -1.53 115.64 118.08 1b0j s THR 681 Ca 0.04 -1.09 -0.31 0.00 -1.18 0.00 0.00 61.69 59.14 1b0j s THR 681 Cb -0.06 -2.62 -0.09 0.00 1.34 0.00 0.00 72.50 71.06 1b0j s THR 681 CO 0.00 0.19 1.56 -0.36 -0.54 0.00 0.00 174.62 175.47 1b0j s PHE 682 N -1.16 2.99 0.29 3.99 0.08 -0.95 -0.79 117.98 122.43 1b0j s PHE 682 Ca 0.21 0.62 0.25 0.00 0.12 0.00 0.00 56.93 58.13 1b0j s PHE 682 Cb -0.11 -3.90 1.17 0.00 -0.57 0.00 0.00 43.02 39.61 1b0j s PHE 682 CO 0.13 -3.34 1.95 0.00 -0.10 0.00 0.00 175.22 173.85 1b0j h ALA 683 N 7.03 1.15 -3.48 5.36 0.00 -1.58 -3.36 119.26 124.39 1b0j h ALA 683 Ca -0.42 -0.17 -0.59 0.00 0.00 0.00 0.00 54.91 53.72 1b0j h ALA 683 Cb 1.20 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.57 1b0j h ALA 683 CO 0.91 0.23 -0.77 0.34 0.00 0.00 0.00 179.25 179.96 1b0j s ASP 684 N -6.20 3.82 0.32 0.00 -1.08 -1.26 -5.03 116.67 107.25 1b0j s ASP 684 Ca -0.01 -1.32 0.10 0.00 -0.52 0.00 0.00 52.55 50.81 1b0j s ASP 684 Cb 0.12 -1.06 0.57 0.00 -1.46 0.00 0.00 42.92 41.08 1b0j s ASP 684 CO 0.61 -0.30 1.18 -0.81 0.52 0.00 0.00 175.17 176.38 1b0j n PRO 685 N 4.73 0.07 0.18 4.34 -0.04 -1.26 -1.06 135.00 141.97 1b0j n PRO 685 Ca -0.08 0.55 0.11 0.00 -0.04 0.00 0.00 63.50 64.04 1b0j n PRO 685 Cb 0.44 -2.13 0.11 0.00 -0.04 0.00 0.00 33.50 31.89 1b0j n PRO 685 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b0j h ALA 686 N 0.96 0.85 0.00 0.55 0.00 -1.95 -2.97 119.26 116.69 1b0j h ALA 686 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1b0j h ALA 686 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1b0j h ALA 686 CO 0.00 0.06 0.35 -0.44 0.00 0.00 0.00 179.25 179.22 1b0j h ASP 687 N 0.00 0.00 -0.24 0.00 3.32 -1.53 -0.62 116.42 117.36 1b0j h ASP 687 Ca -0.00 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.10 1b0j h ASP 687 Cb 1.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1b0j h ASP 687 CO 0.01 0.00 0.17 0.22 -1.72 0.00 0.00 179.24 177.91 1b0j h TYR 688 N 0.00 0.09 0.00 4.55 3.20 -1.73 -2.42 116.97 120.66 1b0j h TYR 688 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1b0j h TYR 688 Cb 0.69 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1b0j h TYR 688 CO 0.00 0.05 -0.08 0.09 -1.64 0.00 0.00 178.16 176.58 1b0j n ASN 689 N -4.48 0.28 0.13 -2.11 3.02 -0.24 -3.55 115.26 108.31 1b0j n ASN 689 Ca 0.02 0.42 0.12 0.00 -0.03 0.00 0.00 54.58 55.12 1b0j n ASN 689 Cb 0.25 -0.46 0.22 0.00 -0.61 0.00 0.00 39.78 39.18 1b0j n ASN 689 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1b0j h LYS 690 N 0.00 0.00 -5.30 3.52 1.57 -1.57 -3.45 116.57 111.34 1b0j h LYS 690 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 1b0j h LYS 690 Cb 0.57 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.75 1b0j h LYS 690 CO 0.00 0.00 -0.51 0.42 -0.57 0.00 0.00 179.45 178.79 1b0j s ILE 691 N -3.19 5.21 -0.01 1.86 1.01 -1.23 -5.10 121.20 119.75 1b0j s ILE 691 Ca 0.07 0.12 0.06 0.00 0.00 0.00 0.00 60.65 60.89 1b0j s ILE 691 Cb 0.10 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 1b0j s ILE 691 CO 0.68 0.46 -0.18 -1.00 0.00 0.00 0.00 174.94 174.89 1b0j s HIS 692 N 0.28 1.63 0.16 3.97 3.76 -1.26 -5.01 115.29 118.82 1b0j s HIS 692 Ca 0.07 -0.31 0.11 0.00 -0.15 0.00 0.00 55.06 54.78 1b0j s HIS 692 Cb -0.11 -1.04 0.62 0.00 1.11 0.00 0.00 32.58 33.15 1b0j s HIS 692 CO -0.01 -0.02 1.23 -1.00 -0.85 0.00 0.00 174.74 174.08 1b0j h PRO 693 N 5.65 0.00 0.00 8.40 0.13 -1.97 -1.28 132.00 142.93 1b0j h PRO 693 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1b0j h PRO 693 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1b0j h PRO 693 CO 0.48 0.00 -0.42 -0.24 -0.23 0.00 0.00 178.00 177.59 1b0j h VAL 694 N 0.00 0.00 -4.26 1.56 3.04 -1.96 -3.41 116.25 111.22 1b0j h VAL 694 Ca 0.00 -0.58 -0.50 0.00 -1.01 0.00 0.00 66.70 64.61 1b0j h VAL 694 Cb 0.84 1.32 0.06 0.00 -2.01 0.00 0.00 31.29 31.50 1b0j h VAL 694 CO 0.00 0.00 0.37 -1.81 -1.01 0.00 0.00 177.57 175.12 1b0j s ASP 695 N -4.61 5.94 0.03 3.17 1.01 -0.49 -4.74 116.67 116.98 1b0j s ASP 695 Ca 0.07 1.22 0.08 0.00 0.71 0.00 0.00 52.55 54.63 1b0j s ASP 695 Cb 0.12 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.80 1b0j s ASP 695 CO 0.69 -1.00 -0.23 -0.54 0.21 0.00 0.00 175.17 174.30 1b0j s LYS 696 N -5.17 1.97 -0.05 8.23 -0.14 -0.82 -4.23 119.74 119.52 1b0j s LYS 696 Ca 0.55 -1.02 0.06 0.00 -1.36 0.00 0.00 55.97 54.20 1b0j s LYS 696 Cb -0.11 -2.09 -0.01 0.00 -1.68 0.00 0.00 37.83 33.94 1b0j s LYS 696 CO 0.52 0.53 -0.23 -0.51 -0.76 0.00 0.00 175.35 174.90 1b0j s LEU 697 N -1.23 2.02 -0.23 3.17 1.43 -1.05 -0.26 118.68 122.53 1b0j s LEU 697 Ca 0.13 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1b0j s LEU 697 Cb -0.10 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 44.91 1b0j s LEU 697 CO 0.03 0.23 -0.10 -0.89 0.23 0.00 0.00 176.35 175.84 1b0j s THR 698 N -0.16 2.63 -0.21 5.49 2.01 -0.45 -1.54 115.64 123.41 1b0j s THR 698 Ca -0.02 -1.01 -0.18 0.00 0.31 0.00 0.00 61.69 60.79 1b0j s THR 698 Cb -0.12 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 1b0j s THR 698 CO 0.03 0.29 0.52 -0.63 -0.69 0.00 0.00 174.62 174.14 1b0j s ILE 699 N 1.31 5.09 0.12 1.82 -1.09 -0.45 -1.66 121.20 126.34 1b0j s ILE 699 Ca 0.01 0.95 0.09 0.00 -2.23 0.00 0.00 60.65 59.47 1b0j s ILE 699 Cb -0.16 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 1b0j s ILE 699 CO -0.07 0.16 -0.23 -1.58 -1.23 0.00 0.00 174.94 171.99 1b0j s GLN 700 N 1.78 1.24 0.00 2.79 0.74 -0.84 -1.72 119.66 123.65 1b0j s GLN 700 Ca 0.24 -1.25 0.00 0.00 0.05 0.00 0.00 55.36 54.40 1b0j s GLN 700 Cb -0.15 -1.57 0.00 0.00 1.10 0.00 0.00 33.01 32.39 1b0j s GLN 700 CO 0.09 0.36 0.00 0.41 -0.55 0.00 0.00 175.29 175.61 1b0j n GLY 701 N 0.95 0.83 0.16 2.59 0.00 -1.26 -3.39 105.19 105.07 1b0j n GLY 701 Ca -0.18 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.23 1b0j n GLY 701 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1b0j h LEU 702 N 0.00 0.00 -0.98 0.99 -0.00 -1.93 -3.29 115.31 110.10 1b0j h LEU 702 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 1b0j h LEU 702 Cb 0.61 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.26 1b0j h LEU 702 CO 0.00 0.49 -0.13 0.11 -0.00 0.00 0.00 178.44 178.91 1b0j h LYS 703 N 0.00 0.59 -1.43 1.13 6.56 -1.92 -2.78 116.57 118.71 1b0j h LYS 703 Ca -0.00 -0.18 -0.64 0.00 -1.06 0.00 0.00 60.65 58.76 1b0j h LYS 703 Cb 1.11 -0.06 -0.37 0.00 -0.57 0.00 0.00 32.23 32.34 1b0j h LYS 703 CO 0.06 0.71 -0.09 -0.40 -2.06 0.00 0.00 179.45 177.67 1b0j n ASP 704 N -4.18 5.85 -4.70 0.86 5.68 -1.25 -5.04 116.55 113.77 1b0j n ASP 704 Ca 0.01 -3.77 -0.43 0.00 -0.50 0.00 0.00 54.79 50.10 1b0j n ASP 704 Cb 0.35 -0.66 -0.01 0.00 -1.14 0.00 0.00 41.12 39.66 1b0j n ASP 704 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1b0j n PHE 705 N -0.59 2.34 -3.57 2.11 7.35 -1.05 -5.02 117.46 119.03 1b0j n PHE 705 Ca 0.47 0.50 -0.16 0.00 -0.76 0.00 0.00 57.45 57.49 1b0j n PHE 705 Cb 0.61 -2.44 -0.06 0.00 0.35 0.00 0.00 39.48 37.93 1b0j n PHE 705 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1b0j s ALA 706 N -0.80 -1.75 0.29 3.13 0.00 -1.26 -5.10 121.76 116.27 1b0j s ALA 706 Ca 0.59 1.57 -0.30 0.00 0.00 0.00 0.00 51.96 53.82 1b0j s ALA 706 Cb -0.57 -0.46 -0.11 0.00 0.00 0.00 0.00 23.12 21.98 1b0j s ALA 706 CO 0.59 -0.35 1.56 -2.14 0.00 0.00 0.00 175.76 175.41 1b0j s PRO 707 N -0.57 4.15 0.00 0.00 0.02 -1.26 -2.48 135.00 134.86 1b0j s PRO 707 Ca -0.07 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1b0j s PRO 707 Cb -0.02 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.46 1b0j s PRO 707 CO 0.06 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 1b0j n GLY 708 N 2.09 1.47 3.63 0.52 0.00 -1.26 -4.99 105.19 106.65 1b0j n GLY 708 Ca 0.08 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1b0j n GLY 708 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b0j s LYS 709 N 0.00 3.82 0.93 1.61 2.20 -1.03 -5.00 119.74 122.28 1b0j s LYS 709 Ca 0.00 1.50 -0.11 0.00 -0.36 0.00 0.00 55.97 56.99 1b0j s LYS 709 Cb 0.00 -3.98 0.15 0.00 -1.51 0.00 0.00 37.83 32.49 1b0j s LYS 709 CO 0.00 -1.25 1.09 -1.25 -0.36 0.00 0.00 175.35 173.58 1b0j s PRO 710 N 4.52 0.94 0.14 4.03 0.04 -1.26 -4.57 135.00 138.84 1b0j s PRO 710 Ca 0.66 1.01 0.07 0.00 0.04 0.00 0.00 61.00 62.77 1b0j s PRO 710 Cb -0.22 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1b0j s PRO 710 CO 0.27 -2.51 -0.02 -0.51 0.04 0.00 0.00 177.00 174.27 1b0j s LEU 711 N -6.44 3.31 -0.13 -3.56 1.43 -0.29 -4.92 118.68 108.09 1b0j s LEU 711 Ca 0.65 -0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 53.35 1b0j s LEU 711 Cb -0.20 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1b0j s LEU 711 CO 0.58 0.13 0.10 -0.54 0.23 0.00 0.00 176.35 176.85 1b0j s LYS 712 N -2.63 3.47 -0.19 1.70 1.02 -1.22 -0.65 119.74 121.24 1b0j s LYS 712 Ca 0.26 -0.22 0.01 0.00 0.02 0.00 0.00 55.97 56.03 1b0j s LYS 712 Cb -0.10 -3.13 0.02 0.00 -0.52 0.00 0.00 37.83 34.10 1b0j s LYS 712 CO 0.18 0.67 -0.17 0.00 -0.92 0.00 0.00 175.35 175.10 1b0j s ILE 714 N 1.30 4.76 -0.64 0.00 1.09 -0.67 -1.32 121.20 125.73 1b0j s ILE 714 Ca 0.04 -0.27 -0.26 0.00 -1.10 0.00 0.00 60.65 59.06 1b0j s ILE 714 Cb -0.14 -4.34 0.04 0.00 -1.06 0.00 0.00 42.46 36.96 1b0j s ILE 714 CO -0.11 -0.85 1.14 -0.63 -0.10 0.00 0.00 174.94 174.38 1b0j s ILE 715 N 2.94 4.04 -0.45 2.92 1.01 0.36 -1.34 121.20 130.68 1b0j s ILE 715 Ca 0.19 0.45 -0.24 0.00 0.00 0.00 0.00 60.65 61.04 1b0j s ILE 715 Cb -0.17 -4.74 0.03 0.00 0.01 0.00 0.00 42.46 37.58 1b0j s ILE 715 CO 0.14 -1.48 0.86 -0.54 0.00 0.00 0.00 174.94 173.92 1b0j s LYS 716 N 4.88 3.48 0.25 2.79 1.02 0.64 -1.81 119.74 130.99 1b0j s LYS 716 Ca 0.35 0.04 -0.18 0.00 0.02 0.00 0.00 55.97 56.19 1b0j s LYS 716 Cb -0.10 -3.93 -0.08 0.00 -0.52 0.00 0.00 37.83 33.20 1b0j s LYS 716 CO 0.19 -1.17 0.73 -1.01 -0.92 0.00 0.00 175.35 173.17 1b0j s HIS 717 N 3.53 3.57 0.60 3.18 3.76 -0.18 -1.95 115.29 127.79 1b0j s HIS 717 Ca 0.34 1.35 0.30 0.00 -0.15 0.00 0.00 55.06 56.89 1b0j s HIS 717 Cb -0.11 -2.60 1.69 0.00 1.11 0.00 0.00 32.58 32.66 1b0j s HIS 717 CO 0.24 0.26 2.09 -1.35 -0.85 0.00 0.00 174.74 175.14 1b0j h PRO 718 N 3.07 0.00 -0.03 8.40 0.11 -1.86 -0.55 132.00 141.14 1b0j h PRO 718 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1b0j h PRO 718 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1b0j h PRO 718 CO 0.65 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.71 1b0j n ASN 719 N -3.71 0.65 0.00 -2.05 0.23 -1.26 -4.92 115.26 104.20 1b0j n ASN 719 Ca 0.01 -1.34 0.00 0.00 -0.53 0.00 0.00 54.58 52.73 1b0j n ASN 719 Cb 0.33 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 1b0j n ASN 719 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1b0j n GLY 720 N 1.02 1.39 3.70 4.83 0.00 -0.21 -5.05 105.19 110.86 1b0j n GLY 720 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1b0j n GLY 720 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b0j s THR 721 N -2.33 3.23 0.35 2.61 2.01 -1.24 -4.86 115.64 115.40 1b0j s THR 721 Ca 0.00 0.73 0.07 0.00 0.31 0.00 0.00 61.69 62.81 1b0j s THR 721 Cb 0.00 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 1b0j s THR 721 CO 0.00 0.01 0.36 -1.10 -0.69 0.00 0.00 174.62 173.21 1b0j s GLN 722 N 2.14 2.82 -0.20 4.92 -0.21 -1.26 -1.02 119.66 126.85 1b0j s GLN 722 Ca 0.69 -1.24 -0.16 0.00 0.02 0.00 0.00 55.36 54.67 1b0j s GLN 722 Cb -0.37 -2.57 0.06 0.00 1.00 0.00 0.00 33.01 31.12 1b0j s GLN 722 CO 0.30 0.04 0.51 -1.21 -2.12 0.00 0.00 175.29 172.82 1b0j s GLU 723 N -4.07 0.57 -0.16 2.91 2.02 -0.75 -4.96 118.70 114.26 1b0j s GLU 723 Ca 0.43 0.78 -0.07 0.00 0.02 0.00 0.00 54.97 56.13 1b0j s GLU 723 Cb -0.07 0.21 -0.04 0.00 0.10 0.00 0.00 34.13 34.33 1b0j s GLU 723 CO 0.28 -0.10 0.10 0.99 0.02 0.00 0.00 175.26 176.56 1b0j s THR 724 N 0.65 5.16 0.26 3.63 2.01 -1.26 -0.49 115.64 125.60 1b0j s THR 724 Ca -0.03 0.09 0.09 0.00 0.31 0.00 0.00 61.69 62.15 1b0j s THR 724 Cb -0.05 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 1b0j s THR 724 CO -0.04 0.52 -0.13 0.27 -0.69 0.00 0.00 174.62 174.55 1b0j s ILE 725 N -0.22 1.96 -0.00 1.82 -4.36 -0.43 -4.96 121.20 115.00 1b0j s ILE 725 Ca 0.09 -2.24 0.02 0.00 -0.26 0.00 0.00 60.65 58.26 1b0j s ILE 725 Cb -0.12 -2.27 -0.03 0.00 1.25 0.00 0.00 42.46 41.29 1b0j s ILE 725 CO 0.01 -0.43 -0.02 -0.76 0.24 0.00 0.00 174.94 173.97 1b0j s LEU 726 N -3.43 3.39 -0.07 0.37 1.43 -1.26 -1.01 118.68 118.11 1b0j s LEU 726 Ca 0.27 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1b0j s LEU 726 Cb -0.00 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.29 1b0j s LEU 726 CO 0.11 0.29 -0.15 -0.76 0.23 0.00 0.00 176.35 176.06 1b0j s LEU 727 N -1.48 1.76 0.32 1.79 1.43 0.18 -1.40 118.68 121.28 1b0j s LEU 727 Ca 0.18 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1b0j s LEU 727 Cb -0.11 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.10 1b0j s LEU 727 CO 0.09 0.07 0.50 0.20 0.23 0.00 0.00 176.35 177.44 1b0j s ASN 728 N 0.56 6.30 -0.03 2.29 0.01 0.03 -1.13 114.94 122.97 1b0j s ASN 728 Ca -0.15 0.37 -0.02 0.00 -0.71 0.00 0.00 52.86 52.34 1b0j s ASN 728 Cb -0.16 -1.99 0.01 0.00 0.41 0.00 0.00 41.25 39.51 1b0j s ASN 728 CO 0.05 -0.24 0.07 -1.38 -1.51 0.00 0.00 177.10 174.09 1b0j s HIS 729 N -2.23 -0.07 -0.25 2.20 -3.43 -1.26 -1.27 115.29 108.98 1b0j s HIS 729 Ca 0.39 0.20 0.02 0.00 -0.80 0.00 0.00 55.06 54.86 1b0j s HIS 729 Cb -0.09 -0.01 0.20 0.00 -1.43 0.00 0.00 32.58 31.25 1b0j s HIS 729 CO 0.34 -0.05 1.19 0.25 -2.00 0.00 0.00 174.74 174.47 1b0j n THR 730 N 3.24 1.47 -2.45 -5.38 -2.24 -1.26 -4.62 114.28 103.05 1b0j n THR 730 Ca -0.15 -0.52 -0.40 0.00 -2.27 0.00 0.00 64.05 60.71 1b0j n THR 730 Cb 0.58 -0.77 -0.04 0.00 -2.10 0.00 0.00 70.33 68.00 1b0j n THR 730 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1b0j s PHE 731 N -1.05 3.54 0.47 4.78 0.40 -1.26 -5.05 117.98 119.81 1b0j s PHE 731 Ca 0.16 1.66 0.07 0.00 -0.60 0.00 0.00 56.93 58.22 1b0j s PHE 731 Cb 0.13 -3.32 0.01 0.00 0.51 0.00 0.00 43.02 40.35 1b0j s PHE 731 CO 0.03 -0.68 0.42 0.54 0.70 0.00 0.00 175.22 176.23 1b0j s ASN 732 N -0.74 4.88 0.57 1.36 4.22 -1.26 -4.17 114.94 119.81 1b0j s ASN 732 Ca 0.46 -0.94 0.34 0.00 -2.14 0.00 0.00 52.86 50.58 1b0j s ASN 732 Cb -0.32 -0.15 1.72 0.00 1.28 0.00 0.00 41.25 43.78 1b0j s ASN 732 CO 0.41 -0.87 2.14 -0.33 -2.04 0.00 0.00 177.10 176.42 1b0j h GLU 733 N 0.87 0.00 -0.15 3.55 4.39 -1.99 -2.44 114.58 118.80 1b0j h GLU 733 Ca -0.39 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.30 1b0j h GLU 733 Cb 1.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 1b0j h GLU 733 CO 0.56 0.05 0.06 1.15 -1.16 0.00 0.00 179.01 179.67 1b0j h THR 734 N 0.00 1.15 -0.19 1.13 2.02 -2.00 -2.50 112.91 112.53 1b0j h THR 734 Ca -0.00 -0.46 -0.08 0.00 0.77 0.00 0.00 66.41 66.64 1b0j h THR 734 Cb 0.28 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1b0j h THR 734 CO 0.01 0.14 -0.24 1.56 0.37 0.00 0.00 175.52 177.36 1b0j h GLN 735 N 0.09 0.34 -0.19 6.66 4.20 -1.84 -2.79 115.11 121.58 1b0j h GLN 735 Ca 0.05 -0.11 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 1b0j h GLN 735 Cb 0.17 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1b0j h GLN 735 CO -0.00 0.56 -0.41 0.82 -0.67 0.00 0.00 178.83 179.12 1b0j h ILE 736 N 0.31 1.31 -0.01 2.54 2.04 -1.39 -1.20 117.51 121.10 1b0j h ILE 736 Ca 0.05 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 1b0j h ILE 736 Cb 0.59 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1b0j h ILE 736 CO 0.04 0.49 -0.06 -0.33 0.00 0.00 0.00 178.15 178.29 1b0j h GLU 737 N 0.37 0.02 0.15 2.37 4.39 -1.17 -1.79 114.58 118.92 1b0j h GLU 737 Ca 0.03 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1b0j h GLU 737 Cb 0.89 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1b0j h GLU 737 CO 0.07 0.08 -0.07 -1.49 -1.16 0.00 0.00 179.01 176.44 1b0j h TRP 738 N 0.02 -0.18 -0.21 4.33 6.55 -1.14 -2.68 115.95 122.63 1b0j h TRP 738 Ca 0.00 -0.00 0.01 0.00 0.95 0.00 0.00 58.89 59.85 1b0j h TRP 738 Cb 0.12 0.06 -0.02 0.00 -0.86 0.00 0.00 29.16 28.46 1b0j h TRP 738 CO 0.00 0.07 0.10 0.35 -1.05 0.00 0.00 178.44 177.92 1b0j h PHE 739 N -0.42 0.19 -1.00 0.49 3.57 -1.38 -0.87 116.94 117.51 1b0j h PHE 739 Ca -0.02 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.54 1b0j h PHE 739 Cb 0.34 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 1b0j h PHE 739 CO 0.00 0.11 0.65 0.00 -2.23 0.00 0.00 178.31 176.84 1b0j h ARG 740 N 0.22 1.17 0.00 1.11 3.08 -1.34 -2.59 114.38 116.02 1b0j h ARG 740 Ca 0.08 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1b0j h ARG 740 Cb 0.02 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.81 1b0j h ARG 740 CO -0.06 0.77 0.00 0.00 -1.07 0.00 0.00 179.97 179.61 1b0j h ALA 741 N 1.45 1.00 0.00 0.04 0.00 -1.34 -1.18 119.26 119.23 1b0j h ALA 741 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1b0j h ALA 741 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1b0j h ALA 741 CO -0.15 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.51 1b0j n GLY 742 N 1.07 3.15 0.00 0.00 0.00 -0.65 -3.94 105.19 104.81 1b0j n GLY 742 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1b0j n GLY 742 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1b0j n SER 743 N 0.00 0.00 -0.04 1.61 3.41 -0.43 -3.58 113.62 114.59 1b0j n SER 743 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1b0j n SER 743 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1b0j n SER 743 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b0j h ALA 744 N 0.00 -0.32 -0.81 7.33 0.00 -1.30 -1.53 119.26 122.64 1b0j h ALA 744 Ca 0.00 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1b0j h ALA 744 Cb 0.00 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1b0j h ALA 744 CO 0.00 -0.78 0.53 1.25 0.00 0.00 0.00 179.25 180.25 1b0j h LEU 745 N -0.35 0.73 -1.73 0.00 5.85 -1.96 0.88 115.31 118.74 1b0j h LEU 745 Ca 0.12 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1b0j h LEU 745 Cb 0.54 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1b0j h LEU 745 CO -0.42 0.45 -0.16 0.78 -0.34 0.00 0.00 178.44 178.74 1b0j h ASN 746 N 0.81 0.00 0.01 1.25 2.35 -1.64 -2.15 115.58 116.21 1b0j h ASN 746 Ca 0.36 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.95 1b0j h ASN 746 Cb 0.35 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.74 1b0j h ASN 746 CO -0.14 0.16 -0.66 -0.09 -1.65 0.00 0.00 177.43 175.05 1b0j h ARG 747 N 0.00 0.43 -0.43 0.81 1.12 -0.18 -2.35 114.38 113.78 1b0j h ARG 747 Ca -0.00 -0.47 -0.08 0.00 -1.11 0.00 0.00 59.98 58.31 1b0j h ARG 747 Cb 0.42 0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 30.50 1b0j h ARG 747 CO 0.02 1.13 -0.06 1.98 -3.11 0.00 0.00 179.97 179.94 1b0j h MET 748 N -0.08 0.74 -0.09 0.20 4.05 -0.82 -2.45 114.93 116.48 1b0j h MET 748 Ca -0.09 -0.22 -0.14 0.00 -0.28 0.00 0.00 59.70 58.98 1b0j h MET 748 Cb 1.37 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 32.09 1b0j h MET 748 CO 0.13 0.79 -0.56 0.87 0.23 0.00 0.00 176.91 178.37 1b0j h LYS 749 N 0.68 0.28 -0.24 0.39 1.57 -1.43 -3.06 116.57 114.75 1b0j h LYS 749 Ca 0.13 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1b0j h LYS 749 Cb 0.51 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1b0j h LYS 749 CO 0.03 0.76 0.14 0.93 -0.57 0.00 0.00 179.45 180.74 1b0j h GLU 750 N 0.21 0.33 0.00 3.15 5.08 -1.04 -2.98 114.58 119.34 1b0j h GLU 750 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1b0j h GLU 750 Cb 1.05 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1b0j h GLU 750 CO 0.09 0.28 0.22 -0.07 -1.00 0.00 0.00 179.01 178.53 1b0j h LEU 751 N 0.29 0.00 -5.86 1.33 3.38 -1.36 -3.03 115.31 110.06 1b0j h LEU 751 Ca 0.09 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.35 1b0j h LEU 751 Cb 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1b0j h LEU 751 CO -0.02 0.00 3.09 0.00 0.09 0.00 0.00 178.44 181.61 1b0j n GLN 752 N -2.80 3.18 -1.39 1.13 6.02 -1.13 -4.81 117.38 117.59 1b0j n GLN 752 Ca -0.02 -2.69 -0.03 0.00 -0.01 0.00 0.00 57.00 54.25 1b0j n GLN 752 Cb 0.27 -3.12 -0.01 0.00 1.02 0.00 0.00 30.24 28.40 1b0j n GLN 752 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1b0j n GLN 753 N 5.16 -1.17 0.00 -1.09 10.64 -1.15 -5.04 117.38 124.73 1b0j n GLN 753 Ca 0.56 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.74 1b0j n GLN 753 Cb 0.35 -0.80 0.00 0.00 -0.86 0.00 0.00 30.24 28.93 1b0j n GLN 753 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59