#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j04 n LEU 4 N 0.00 5.19 -4.73 -1.96 4.77 -1.26 -4.93 117.00 114.08 2j04 n LEU 4 Ca 0.00 1.08 -0.41 0.00 -0.03 0.00 0.00 56.01 56.65 2j04 n LEU 4 Cb 0.00 -1.59 -0.03 0.00 -2.33 0.00 0.00 43.42 39.47 2j04 n LEU 4 CO 0.00 -0.29 0.93 -0.75 -1.33 0.00 0.00 177.39 175.94 2j04 s LYS 5 N -2.56 4.44 0.43 3.23 2.20 0.30 -4.74 119.74 123.04 2j04 s LYS 5 Ca 0.64 1.93 -0.26 0.00 -0.36 0.00 0.00 55.97 57.92 2j04 s LYS 5 Cb -0.44 -3.25 -0.09 0.00 -1.51 0.00 0.00 37.83 32.54 2j04 s LYS 5 CO 0.55 -0.19 1.36 -0.25 -0.36 0.00 0.00 175.35 176.46 2j04 n ASP 6 N 2.92 3.00 -4.63 1.43 8.00 -1.26 -1.99 116.55 124.01 2j04 n ASP 6 Ca 0.06 1.12 -0.41 0.00 0.71 0.00 0.00 54.79 56.28 2j04 n ASP 6 Cb 0.44 -1.56 -0.06 0.00 -0.02 0.00 0.00 41.12 39.92 2j04 n ASP 6 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2j04 s LEU 7 N -2.18 4.08 -0.06 0.64 2.96 -0.62 -4.78 118.68 118.72 2j04 s LEU 7 Ca 0.61 0.76 -0.30 0.00 -0.22 0.00 0.00 54.13 54.98 2j04 s LEU 7 Cb -0.48 -2.89 -0.03 0.00 0.50 0.00 0.00 46.19 43.29 2j04 s LEU 7 CO 0.58 -0.36 1.22 -0.76 -1.32 0.00 0.00 176.35 175.71 2j04 s LEU 8 N 2.40 4.28 -0.33 -0.68 2.01 -1.26 -1.08 118.68 124.02 2j04 s LEU 8 Ca 0.27 1.83 -0.04 0.00 0.01 0.00 0.00 54.13 56.21 2j04 s LEU 8 Cb -0.16 -3.56 0.05 0.00 0.01 0.00 0.00 46.19 42.54 2j04 s LEU 8 CO 0.09 -0.60 0.06 -0.69 1.01 0.00 0.00 176.35 176.21 2j04 s VAL 9 N 2.30 3.33 -0.08 -1.59 1.01 -0.58 -4.98 120.40 119.81 2j04 s VAL 9 Ca 0.56 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 2j04 s VAL 9 Cb -0.25 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2j04 s VAL 9 CO 0.22 -0.19 0.04 -0.62 0.00 0.00 0.00 175.10 174.55 2j04 s ASP 10 N 1.37 5.51 -1.37 3.32 2.15 -1.26 -0.50 116.67 125.90 2j04 s ASP 10 Ca -0.03 0.21 -0.02 0.00 0.43 0.00 0.00 52.55 53.14 2j04 s ASP 10 Cb -0.20 -1.61 0.01 0.00 -0.30 0.00 0.00 42.92 40.82 2j04 s ASP 10 CO 0.00 0.37 0.16 -2.11 -0.17 0.00 0.00 175.17 173.43 2j04 n ARG 11 N 2.00 -2.66 -3.98 4.34 1.85 -0.37 -4.97 116.66 112.86 2j04 n ARG 11 Ca -0.18 0.74 -0.22 0.00 -1.00 0.00 0.00 57.85 57.19 2j04 n ARG 11 Cb 0.54 -5.42 -0.05 0.00 -1.05 0.00 0.00 32.46 26.48 2j04 n ARG 11 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2j04 s LYS 12 N -5.27 2.63 0.05 2.89 -0.14 -1.20 -4.44 119.74 114.25 2j04 s LYS 12 Ca 0.10 -1.33 -0.01 0.00 -1.36 0.00 0.00 55.97 53.37 2j04 s LYS 12 Cb -0.05 -2.38 -0.04 0.00 -1.68 0.00 0.00 37.83 33.68 2j04 s LYS 12 CO 0.13 0.17 -0.03 -1.83 -0.76 0.00 0.00 175.35 173.02 2j04 s GLU 13 N -3.90 0.58 0.22 1.68 -1.05 -1.26 -4.69 118.70 110.27 2j04 s GLU 13 Ca 0.38 -1.12 0.07 0.00 -0.15 0.00 0.00 54.97 54.15 2j04 s GLU 13 Cb -0.05 0.15 -0.04 0.00 -0.44 0.00 0.00 34.13 33.75 2j04 s GLU 13 CO 0.25 -0.09 0.09 -0.06 0.95 0.00 0.00 175.26 176.40 2j04 s PHE 14 N -3.45 2.96 -0.37 4.83 0.40 -1.26 -1.23 117.98 119.87 2j04 s PHE 14 Ca 0.03 -0.12 0.23 0.00 -0.60 0.00 0.00 56.93 56.47 2j04 s PHE 14 Cb 0.05 -1.37 0.38 0.00 0.51 0.00 0.00 43.02 42.58 2j04 s PHE 14 CO -0.08 0.54 1.62 1.49 0.70 0.00 0.00 175.22 179.49 2j04 h GLU 15 N 2.09 0.00 -2.27 0.44 4.81 -1.91 -3.46 114.58 114.27 2j04 h GLU 15 Ca -0.47 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 58.97 2j04 h GLU 15 Cb 1.22 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.54 2j04 h GLU 15 CO 0.60 0.06 0.61 0.16 -0.73 0.00 0.00 179.01 179.72 2j04 s ASP 16 N -6.20 -0.06 -0.90 1.04 -4.77 -1.26 -5.05 116.67 99.46 2j04 s ASP 16 Ca 0.06 -0.47 -0.02 0.00 -3.30 0.00 0.00 52.55 48.82 2j04 s ASP 16 Cb 0.06 0.42 0.32 0.00 -1.09 0.00 0.00 42.92 42.63 2j04 s ASP 16 CO 0.67 -0.81 2.00 0.79 0.70 0.00 0.00 175.17 178.52 2j04 n TRP 17 N -0.61 2.85 0.38 2.11 8.01 -1.26 -4.67 117.44 124.25 2j04 n TRP 17 Ca -0.04 -2.39 0.04 0.00 -1.31 0.00 0.00 57.50 53.80 2j04 n TRP 17 Cb 0.60 -1.21 0.02 0.00 -2.01 0.00 0.00 31.31 28.71 2j04 n TRP 17 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 2j04 n LYS 18 N -0.28 1.05 -1.22 -0.99 0.00 -1.26 -4.95 118.16 110.50 2j04 n LYS 18 Ca 0.52 -0.84 0.00 0.00 0.00 0.00 0.00 58.31 57.99 2j04 n LYS 18 Cb 0.25 -1.12 0.00 0.00 0.00 0.00 0.00 35.03 34.17 2j04 n LYS 18 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2j04 n ASN 19 N 0.18 -1.63 0.00 3.14 4.05 -1.21 -5.01 115.26 114.78 2j04 n ASN 19 Ca 0.05 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.08 2j04 n ASN 19 Cb 0.21 -0.81 0.00 0.00 1.23 0.00 0.00 39.78 40.40 2j04 n ASN 19 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2j04 n ASN 20 N 0.00 1.59 -4.51 1.20 3.02 -1.12 -4.98 115.26 110.46 2j04 n ASN 20 Ca 0.00 -1.77 -0.34 0.00 -0.03 0.00 0.00 54.58 52.44 2j04 n ASN 20 Cb 0.00 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.05 2j04 n ASN 20 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2j04 s LEU 21 N -0.77 3.19 0.09 3.41 2.96 -1.26 -1.10 118.68 125.19 2j04 s LEU 21 Ca 0.00 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 2j04 s LEU 21 Cb 0.00 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 2j04 s LEU 21 CO 0.00 0.21 -0.07 0.42 -1.32 0.00 0.00 176.35 175.60 2j04 s THR 22 N 0.09 0.65 -0.21 3.68 -4.23 -0.27 -4.45 115.64 110.90 2j04 s THR 22 Ca -0.01 -1.79 -0.03 0.00 -1.18 0.00 0.00 61.69 58.68 2j04 s THR 22 Cb -0.14 -1.50 0.06 0.00 1.34 0.00 0.00 72.50 72.27 2j04 s THR 22 CO 0.03 -0.80 0.05 0.86 -0.54 0.00 0.00 174.62 174.22 2j04 s TRP 23 N -3.26 0.99 0.57 3.99 -0.11 -1.26 -1.29 118.94 118.57 2j04 s TRP 23 Ca 0.08 -0.88 -0.09 0.00 1.22 0.00 0.00 56.10 56.42 2j04 s TRP 23 Cb 0.03 -1.05 -0.04 0.00 -1.50 0.00 0.00 33.47 30.91 2j04 s TRP 23 CO -0.04 -0.63 0.95 0.00 -4.62 0.00 0.00 176.95 172.61 2j04 s ALA 24 N 1.87 3.19 0.34 5.86 0.00 -0.30 -4.10 121.76 128.63 2j04 s ALA 24 Ca 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 51.96 51.88 2j04 s ALA 24 Cb -0.17 -2.93 1.06 0.00 0.00 0.00 0.00 23.12 21.08 2j04 s ALA 24 CO -0.10 -0.56 1.59 0.00 0.00 0.00 0.00 175.76 176.69 2j04 h ARG 25 N -0.07 0.06 -0.15 0.00 3.08 -1.81 0.51 114.38 115.99 2j04 h ARG 25 Ca -0.45 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2j04 h ARG 25 Cb 1.19 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2j04 h ARG 25 CO 0.62 0.04 0.00 -0.40 -1.07 0.00 0.00 179.97 179.16 2j04 n ASP 26 N -5.30 2.17 0.00 7.04 3.85 -1.26 -1.09 116.55 121.95 2j04 n ASP 26 Ca 0.31 -1.76 0.00 0.00 -0.71 0.00 0.00 54.79 52.63 2j04 n ASP 26 Cb 1.02 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 40.69 2j04 n ASP 26 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2j04 n GLY 27 N 1.25 0.87 3.77 6.12 0.00 0.17 -3.53 105.19 113.84 2j04 n GLY 27 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2j04 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j04 s THR 28 N -2.00 4.56 0.00 2.61 2.01 -1.25 -4.52 115.64 117.06 2j04 s THR 28 Ca 0.00 1.61 -0.17 0.00 0.31 0.00 0.00 61.69 63.44 2j04 s THR 28 Cb 0.00 -4.10 -0.06 0.00 0.01 0.00 0.00 72.50 68.35 2j04 s THR 28 CO 0.00 0.46 0.47 -0.76 -0.69 0.00 0.00 174.62 174.10 2j04 s LEU 29 N -0.68 4.46 -0.13 4.42 1.43 -0.71 -1.15 118.68 126.32 2j04 s LEU 29 Ca 0.36 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 2j04 s LEU 29 Cb -0.22 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.32 2j04 s LEU 29 CO 0.24 0.25 -0.12 -0.31 0.23 0.00 0.00 176.35 176.64 2j04 s TYR 30 N -0.79 1.91 -0.15 0.29 1.51 -0.41 -0.47 117.35 119.24 2j04 s TYR 30 Ca 0.26 -1.02 -0.00 0.00 -1.01 0.00 0.00 57.07 55.29 2j04 s TYR 30 Cb -0.17 -1.45 -0.01 0.00 -0.11 0.00 0.00 41.96 40.22 2j04 s TYR 30 CO 0.15 -0.59 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.35 2j04 s LEU 31 N 1.51 2.64 -1.19 -1.29 1.43 -0.09 -1.12 118.68 120.56 2j04 s LEU 31 Ca 0.04 -0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 52.59 2j04 s LEU 31 Cb -0.13 -1.61 0.14 0.00 0.03 0.00 0.00 46.19 44.62 2j04 s LEU 31 CO -0.09 0.11 1.47 0.42 0.23 0.00 0.00 176.35 178.50 2j04 s THR 32 N 0.66 4.74 0.69 5.49 -4.23 -0.26 -1.21 115.64 121.51 2j04 s THR 32 Ca -0.07 -2.27 -0.03 0.00 -1.18 0.00 0.00 61.69 58.14 2j04 s THR 32 Cb -0.15 -4.97 0.09 0.00 1.34 0.00 0.00 72.50 68.80 2j04 s THR 32 CO 0.02 -1.72 0.96 0.42 -0.54 0.00 0.00 174.62 173.77 2j04 s THR 33 N 2.47 2.32 -0.09 3.99 -4.23 -1.23 -4.67 115.64 114.20 2j04 s THR 33 Ca 0.44 -0.46 0.04 0.00 -1.18 0.00 0.00 61.69 60.53 2j04 s THR 33 Cb -0.01 -2.86 -0.00 0.00 1.34 0.00 0.00 72.50 70.97 2j04 s THR 33 CO 0.00 0.00 -0.23 0.12 -0.54 0.00 0.00 174.62 173.97 2j04 s PHE 34 N -3.13 2.56 -2.11 3.99 5.99 -0.36 -3.50 117.98 121.41 2j04 s PHE 34 Ca 0.62 -0.93 0.25 0.00 0.00 0.00 0.00 56.93 56.88 2j04 s PHE 34 Cb -0.08 -1.70 0.53 0.00 0.00 0.00 0.00 43.02 41.77 2j04 s PHE 34 CO 0.43 -0.35 1.43 -0.35 -0.00 0.00 0.00 175.22 176.39 2j04 n PRO 35 N 3.37 1.26 -4.27 10.12 -0.04 -1.26 -4.36 135.00 139.83 2j04 n PRO 35 Ca -0.19 -0.89 -0.28 0.00 -0.04 0.00 0.00 63.50 62.10 2j04 n PRO 35 Cb 0.53 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 2j04 n PRO 35 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2j04 s ASP 36 N -2.35 4.23 0.37 3.54 1.01 -1.23 -4.36 116.67 117.89 2j04 s ASP 36 Ca 0.26 -0.50 -0.28 0.00 0.71 0.00 0.00 52.55 52.74 2j04 s ASP 36 Cb 0.19 -0.73 -0.10 0.00 1.01 0.00 0.00 42.92 43.29 2j04 s ASP 36 CO 0.48 0.15 1.41 -0.63 0.21 0.00 0.00 175.17 176.79 2j04 s ILE 37 N -1.39 2.29 -0.08 0.77 1.01 -1.26 -3.53 121.20 119.01 2j04 s ILE 37 Ca 0.22 0.29 0.00 0.00 0.00 0.00 0.00 60.65 61.16 2j04 s ILE 37 Cb -0.10 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 2j04 s ILE 37 CO 0.14 0.06 -0.05 -0.44 0.00 0.00 0.00 174.94 174.64 2j04 s SER 38 N -0.33 4.75 0.07 3.58 0.01 -0.35 -0.31 113.70 121.12 2j04 s SER 38 Ca 0.53 -0.00 0.09 0.00 1.31 0.00 0.00 55.95 57.87 2j04 s SER 38 Cb -0.44 -1.27 -0.03 0.00 0.21 0.00 0.00 66.02 64.49 2j04 s SER 38 CO 0.58 0.35 -0.23 -0.51 0.41 0.00 0.00 173.24 173.85 2j04 s ILE 39 N -0.73 2.48 -0.37 1.44 2.07 0.51 -0.92 121.20 125.68 2j04 s ILE 39 Ca 0.11 -1.42 -0.02 0.00 -1.41 0.00 0.00 60.65 57.91 2j04 s ILE 39 Cb -0.11 -2.05 0.09 0.00 0.13 0.00 0.00 42.46 40.52 2j04 s ILE 39 CO 0.02 0.26 0.13 -0.83 -1.91 0.00 0.00 174.94 172.61 2j04 s GLY 40 N -1.62 1.93 0.17 1.50 0.00 0.38 -0.33 107.32 109.35 2j04 s GLY 40 Ca 0.14 -2.36 -0.30 0.00 0.00 0.00 0.00 44.72 42.20 2j04 s GLY 40 CO 0.05 0.94 1.26 1.20 0.00 0.00 0.00 173.10 176.55 2j04 s GLN 41 N 1.13 4.43 0.04 2.90 -0.21 0.12 -1.74 119.66 126.33 2j04 s GLN 41 Ca 0.06 1.95 -0.31 0.00 0.02 0.00 0.00 55.36 57.08 2j04 s GLN 41 Cb -0.21 -3.24 -0.06 0.00 1.00 0.00 0.00 33.01 30.50 2j04 s GLN 41 CO -0.04 -0.21 1.28 -2.14 -2.12 0.00 0.00 175.29 172.06 2j04 s PRO 42 N 0.12 4.37 0.02 2.91 0.02 -1.26 -1.32 135.00 139.86 2j04 s PRO 42 Ca 0.56 1.86 0.06 0.00 0.02 0.00 0.00 61.00 63.50 2j04 s PRO 42 Cb -0.34 -3.40 -0.02 0.00 0.02 0.00 0.00 34.50 30.76 2j04 s PRO 42 CO 0.35 -0.39 -0.19 0.15 -0.33 0.00 0.00 177.00 176.60 2j04 s LYS 43 N 1.51 1.34 -0.21 5.54 -0.14 0.40 -4.91 119.74 123.27 2j04 s LYS 43 Ca 0.61 -0.79 -0.10 0.00 -1.36 0.00 0.00 55.97 54.33 2j04 s LYS 43 Cb -0.31 -1.37 -0.05 0.00 -1.68 0.00 0.00 37.83 34.42 2j04 s LYS 43 CO 0.28 0.36 0.12 -0.47 -0.76 0.00 0.00 175.35 174.88 2j04 s TYR 44 N -0.66 3.36 -0.06 3.18 5.04 -1.26 -4.49 117.35 122.46 2j04 s TYR 44 Ca 0.06 0.25 0.01 0.00 -2.44 0.00 0.00 57.07 54.95 2j04 s TYR 44 Cb -0.08 -2.17 0.02 0.00 0.35 0.00 0.00 41.96 40.08 2j04 s TYR 44 CO 0.01 0.21 -0.05 0.00 -1.34 0.00 0.00 175.55 174.37 2j04 s ALA 45 N 0.54 0.84 0.31 3.97 0.00 -1.26 -4.94 121.76 121.22 2j04 s ALA 45 Ca 0.07 -0.18 0.09 0.00 0.00 0.00 0.00 51.96 51.94 2j04 s ALA 45 Cb -0.12 -0.56 0.88 0.00 0.00 0.00 0.00 23.12 23.32 2j04 s ALA 45 CO -0.00 -0.12 1.70 -0.22 0.00 0.00 0.00 175.76 177.12 2j04 h LYS 46 N 7.47 0.45 -5.12 0.00 1.63 -1.96 -3.39 116.57 115.65 2j04 h LYS 46 Ca -0.33 -0.03 -0.45 0.00 -0.85 0.00 0.00 60.65 59.00 2j04 h LYS 46 Cb 1.15 -0.10 -0.28 0.00 -0.60 0.00 0.00 32.23 32.39 2j04 h LYS 46 CO 0.43 0.29 -0.80 0.34 -3.45 0.00 0.00 179.45 176.26 2j04 s ASP 47 N -5.13 1.47 -0.10 4.20 -1.08 -1.26 -5.12 116.67 109.66 2j04 s ASP 47 Ca -0.11 -0.25 -0.01 0.00 -0.52 0.00 0.00 52.55 51.66 2j04 s ASP 47 Cb 0.27 -0.15 0.03 0.00 -1.46 0.00 0.00 42.92 41.61 2j04 s ASP 47 CO 0.79 0.14 -0.04 -0.63 0.52 0.00 0.00 175.17 175.95 2j04 s ILE 48 N -0.35 0.72 -0.46 4.11 1.01 -1.26 -5.01 121.20 119.95 2j04 s ILE 48 Ca 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.53 2j04 s ILE 48 Cb -0.05 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 2j04 s ILE 48 CO -0.00 0.29 1.57 -0.46 0.00 0.00 0.00 174.94 176.33 2j04 n ASN 49 N 5.04 2.44 -2.58 3.58 0.23 -1.26 -4.15 115.26 118.56 2j04 n ASN 49 Ca -0.10 -2.19 -0.19 0.00 -0.53 0.00 0.00 54.58 51.58 2j04 n ASN 49 Cb 0.50 -0.80 -0.00 0.00 -2.08 0.00 0.00 39.78 37.40 2j04 n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2j04 s ASN 51 N -2.20 5.39 0.00 0.00 3.04 -1.26 0.11 114.94 120.02 2j04 s ASN 51 Ca 0.08 -1.45 0.00 0.00 0.04 0.00 0.00 52.86 51.53 2j04 s ASN 51 Cb -0.04 -1.89 0.00 0.00 -1.54 0.00 0.00 41.25 37.78 2j04 s ASN 51 CO 0.09 -0.44 0.84 -1.54 -3.04 0.00 0.00 177.10 173.02 2j04 n SER 52 N 4.80 0.00 -0.22 -4.21 3.41 -0.84 -0.57 113.62 115.99 2j04 n SER 52 Ca -0.10 0.35 0.15 0.00 -0.26 0.00 0.00 58.87 59.01 2j04 n SER 52 Cb 0.43 -0.35 0.46 0.00 -0.26 0.00 0.00 64.21 64.49 2j04 n SER 52 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2j04 h LYS 53 N 0.00 0.51 -0.66 4.33 3.64 -1.82 -1.78 116.57 120.79 2j04 h LYS 53 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2j04 h LYS 53 Cb 0.05 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2j04 h LYS 53 CO 0.00 0.34 0.00 0.09 -2.27 0.00 0.00 179.45 177.61 2j04 n ASN 54 N -4.52 4.30 -0.04 4.20 5.03 0.27 -3.69 115.26 120.81 2j04 n ASN 54 Ca 0.16 -2.56 -0.04 0.00 0.87 0.00 0.00 54.58 53.01 2j04 n ASN 54 Cb 0.54 -0.59 -0.04 0.00 -1.02 0.00 0.00 39.78 38.67 2j04 n ASN 54 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2j04 n LEU 55 N 0.62 1.77 -4.01 3.41 4.77 -0.70 -4.25 117.00 118.62 2j04 n LEU 55 Ca 0.21 -0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.92 2j04 n LEU 55 Cb 0.87 -0.10 -0.17 0.00 -2.33 0.00 0.00 43.42 41.70 2j04 n LEU 55 CO 0.22 0.44 -0.46 -0.36 -1.33 0.00 0.00 177.39 175.90 2j04 s PHE 56 N -2.15 1.43 -0.27 -1.77 0.40 -1.04 -0.45 117.98 114.13 2j04 s PHE 56 Ca -0.07 -0.54 -0.11 0.00 -0.60 0.00 0.00 56.93 55.60 2j04 s PHE 56 Cb 0.02 -1.07 -0.05 0.00 0.51 0.00 0.00 43.02 42.44 2j04 s PHE 56 CO 0.21 -0.29 0.18 -1.58 0.70 0.00 0.00 175.22 174.43 2j04 s HIS 57 N 0.77 3.24 -0.04 0.36 5.65 -0.43 -4.61 115.29 120.21 2j04 s HIS 57 Ca -0.13 0.12 -0.25 0.00 0.25 0.00 0.00 55.06 55.06 2j04 s HIS 57 Cb -0.15 -2.35 -0.04 0.00 -1.18 0.00 0.00 32.58 28.86 2j04 s HIS 57 CO 0.02 -0.12 0.76 0.08 -0.65 0.00 0.00 174.74 174.84 2j04 s VAL 58 N 1.60 4.99 0.03 0.89 1.01 -1.26 0.14 120.40 127.80 2j04 s VAL 58 Ca 0.07 1.58 -0.07 0.00 0.00 0.00 0.00 61.98 63.55 2j04 s VAL 58 Cb -0.15 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 2j04 s VAL 58 CO 0.09 0.24 0.14 -0.75 0.00 0.00 0.00 175.10 174.83 2j04 s LYS 59 N 0.76 0.60 0.38 2.72 2.47 0.55 -4.96 119.74 122.27 2j04 s LYS 59 Ca 0.40 -0.61 -0.27 0.00 -1.56 0.00 0.00 55.97 53.93 2j04 s LYS 59 Cb -0.19 0.24 -0.09 0.00 -1.46 0.00 0.00 37.83 36.33 2j04 s LYS 59 CO 0.20 -0.16 1.33 -1.21 0.16 0.00 0.00 175.35 175.68 2j04 s GLU 60 N -2.26 4.08 -0.49 4.03 2.02 -1.26 -0.36 118.70 124.46 2j04 s GLU 60 Ca -0.08 2.23 0.08 0.00 0.02 0.00 0.00 54.97 57.22 2j04 s GLU 60 Cb -0.03 -2.86 0.32 0.00 0.10 0.00 0.00 34.13 31.66 2j04 s GLU 60 CO -0.03 -0.42 0.80 0.34 0.02 0.00 0.00 175.26 175.97 2j04 n PHE 61 N 0.34 2.15 -1.81 1.61 7.35 0.57 -4.83 117.46 122.84 2j04 n PHE 61 Ca 0.02 -3.91 -0.42 0.00 -0.76 0.00 0.00 57.45 52.39 2j04 n PHE 61 Cb 0.42 -0.46 -0.02 0.00 0.35 0.00 0.00 39.48 39.78 2j04 n PHE 61 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2j04 s PRO 62 N -2.73 4.15 0.29 -7.13 0.04 -1.26 -4.27 135.00 124.09 2j04 s PRO 62 Ca 0.43 2.53 0.07 0.00 0.04 0.00 0.00 61.00 64.07 2j04 s PRO 62 Cb 0.28 -3.05 -0.06 0.00 0.04 0.00 0.00 34.50 31.71 2j04 s PRO 62 CO -0.10 -0.62 -0.06 -0.51 0.04 0.00 0.00 177.00 175.75 2j04 s LEU 63 N -0.10 2.50 -0.80 -3.56 1.02 -1.26 -4.98 118.68 111.50 2j04 s LEU 63 Ca 0.65 -1.20 -0.00 0.00 0.02 0.00 0.00 54.13 53.60 2j04 s LEU 63 Cb -0.47 -0.66 0.20 0.00 0.02 0.00 0.00 46.19 45.27 2j04 s LEU 63 CO 0.44 -0.34 0.65 -1.61 0.02 0.00 0.00 176.35 175.51 2j04 s GLU 64 N -3.72 2.96 0.21 1.70 2.02 -1.26 -5.07 118.70 115.53 2j04 s GLU 64 Ca 0.30 -3.15 -0.30 0.00 0.02 0.00 0.00 54.97 51.84 2j04 s GLU 64 Cb 0.04 -3.79 -0.08 0.00 0.10 0.00 0.00 34.13 30.39 2j04 s GLU 64 CO 0.12 -1.25 1.13 -0.06 0.02 0.00 0.00 175.26 175.23 2j04 s PHE 65 N -1.13 3.53 0.07 1.61 0.40 -1.26 -4.94 117.98 116.26 2j04 s PHE 65 Ca 0.25 1.57 0.07 0.00 -0.60 0.00 0.00 56.93 58.22 2j04 s PHE 65 Cb -0.09 -3.33 -0.04 0.00 0.51 0.00 0.00 43.02 40.07 2j04 s PHE 65 CO -0.11 -0.80 -0.16 -1.21 0.70 0.00 0.00 175.22 173.64 2j04 s GLU 66 N -0.66 2.05 -0.45 0.44 2.02 -1.26 -4.87 118.70 115.98 2j04 s GLU 66 Ca 0.49 -1.01 -0.15 0.00 0.02 0.00 0.00 54.97 54.32 2j04 s GLU 66 Cb -0.31 -2.22 0.06 0.00 0.10 0.00 0.00 34.13 31.76 2j04 s GLU 66 CO 0.37 0.53 0.36 1.21 0.02 0.00 0.00 175.26 177.75 2j04 s ASN 67 N -1.75 6.09 0.40 -0.19 3.04 -1.26 -4.89 114.94 116.39 2j04 s ASN 67 Ca 0.17 -1.24 0.11 0.00 0.04 0.00 0.00 52.86 51.94 2j04 s ASN 67 Cb -0.11 -2.16 0.84 0.00 -1.54 0.00 0.00 41.25 38.28 2j04 s ASN 67 CO 0.08 -0.59 1.93 0.07 -3.04 0.00 0.00 177.10 175.55 2j04 h LYS 68 N 8.69 0.15 -0.04 0.43 2.10 -1.97 -0.77 116.57 125.16 2j04 h LYS 68 Ca -0.28 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2j04 h LYS 68 Cb 1.11 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 2j04 h LYS 68 CO 0.83 0.32 0.00 1.28 -2.00 0.00 0.00 179.45 179.88 2j04 n LEU 69 N -4.27 1.05 -0.27 7.07 4.77 -1.26 -4.61 117.00 119.48 2j04 n LEU 69 Ca -0.01 -0.38 -0.05 0.00 -0.03 0.00 0.00 56.01 55.54 2j04 n LEU 69 Cb 0.27 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2j04 n LEU 69 CO 0.38 0.19 0.35 -0.67 -1.33 0.00 0.00 177.39 176.30 2j04 n ASP 70 N -0.15 -0.60 -1.21 -1.43 4.64 -0.29 0.33 116.55 117.83 2j04 n ASP 70 Ca 0.19 1.18 0.07 0.00 -1.38 0.00 0.00 54.79 54.85 2j04 n ASP 70 Cb 0.26 -0.20 0.26 0.00 -1.04 0.00 0.00 41.12 40.41 2j04 n ASP 70 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 2j04 n PHE 71 N -4.89 1.05 -3.70 -0.67 3.01 -1.26 -4.90 117.46 106.10 2j04 n PHE 71 Ca 0.03 -0.43 -0.36 0.00 1.01 0.00 0.00 57.45 57.70 2j04 n PHE 71 Cb 0.21 -0.17 -0.07 0.00 -0.01 0.00 0.00 39.48 39.44 2j04 n PHE 71 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2j04 s GLU 72 N -1.70 3.90 -0.06 -1.08 2.56 0.15 -5.07 118.70 117.41 2j04 s GLU 72 Ca 0.37 -0.02 -0.29 0.00 0.00 0.00 0.00 54.97 55.04 2j04 s GLU 72 Cb 0.24 -3.31 -0.02 0.00 2.00 0.00 0.00 34.13 33.03 2j04 s GLU 72 CO 0.19 0.51 0.96 -0.51 -0.56 0.00 0.00 175.26 175.85 2j04 s LEU 73 N -0.31 4.30 0.52 2.70 1.43 -1.26 -4.91 118.68 121.16 2j04 s LEU 73 Ca 0.15 1.54 -0.22 0.00 -1.03 0.00 0.00 54.13 54.57 2j04 s LEU 73 Cb -0.13 -3.51 -0.07 0.00 0.03 0.00 0.00 46.19 42.52 2j04 s LEU 73 CO 0.04 -0.33 1.16 0.00 0.23 0.00 0.00 176.35 177.45 2j04 n ALA 74 N 4.42 0.86 -2.00 4.21 0.00 -1.26 -4.98 120.51 121.77 2j04 n ALA 74 Ca 0.06 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2j04 n ALA 74 Cb 0.50 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.73 2j04 n ALA 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2j04 n GLN 75 N -0.66 0.00 -0.20 0.00 6.02 -1.26 -4.82 117.38 116.46 2j04 n GLN 75 Ca 0.11 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.00 2j04 n GLN 75 Cb 0.44 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.71 2j04 n GLN 75 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 2j04 h GLN 76 N 0.00 1.05 0.00 -1.09 5.75 -2.01 -3.25 115.11 115.57 2j04 h GLN 76 Ca 0.00 -0.36 0.00 0.00 -0.15 0.00 0.00 58.65 58.14 2j04 h GLN 76 Cb 0.00 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.47 2j04 h GLN 76 CO 0.00 1.06 0.00 -1.71 -2.65 0.00 0.00 178.83 175.53 2j04 n ASN 77 N -4.17 0.00 0.00 -0.69 2.85 -1.26 -4.93 115.26 107.06 2j04 n ASN 77 Ca 0.02 0.58 0.00 0.00 -0.11 0.00 0.00 54.58 55.08 2j04 n ASN 77 Cb 0.38 -0.16 0.00 0.00 1.24 0.00 0.00 39.78 41.24 2j04 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2j04 n GLY 78 N -0.23 3.01 0.00 8.20 0.00 -1.23 -4.72 105.19 110.23 2j04 n GLY 78 Ca 0.00 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.24 2j04 n GLY 78 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2j04 n LEU 79 N 0.00 0.00 0.00 0.99 7.94 -1.26 -4.48 117.00 120.19 2j04 n LEU 79 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2j04 n LEU 79 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2j04 n LEU 79 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.17 2j04 n LEU 80 N -0.81 0.00 -0.71 -1.96 7.94 -1.26 -3.53 117.00 116.67 2j04 n LEU 80 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 2j04 n LEU 80 Cb 0.03 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.98 2j04 n LEU 80 CO 0.05 0.00 0.31 0.59 -1.11 0.00 0.00 177.39 177.23 2j04 n ASN 81 N 0.00 1.59 0.05 1.96 3.02 -1.26 -4.06 115.26 116.55 2j04 n ASN 81 Ca 0.00 -1.73 0.18 0.00 -0.03 0.00 0.00 54.58 53.00 2j04 n ASN 81 Cb 0.00 -0.43 0.68 0.00 -0.61 0.00 0.00 39.78 39.41 2j04 n ASN 81 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2j04 h SER 82 N 0.19 0.01 -3.69 6.41 0.87 -1.78 -3.17 113.55 112.39 2j04 h SER 82 Ca 0.00 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.91 2j04 h SER 82 Cb 0.61 -0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.17 2j04 h SER 82 CO 0.00 0.00 -0.72 -1.58 -0.53 0.00 0.00 176.83 174.01 2j04 s GLN 83 N -5.03 1.46 0.01 2.24 -0.44 -1.26 -5.04 119.66 111.60 2j04 s GLN 83 Ca -0.05 -1.87 -0.05 0.00 -2.50 0.00 0.00 55.36 50.89 2j04 s GLN 83 Cb 0.19 -3.14 -0.02 0.00 -1.64 0.00 0.00 33.01 28.40 2j04 s GLN 83 CO 0.72 -0.95 1.08 -1.35 0.50 0.00 0.00 175.29 175.29 2j04 h PRO 84 N 7.58 -0.11 -6.06 1.67 0.11 -1.91 -3.44 132.00 129.86 2j04 h PRO 84 Ca -0.05 0.01 -0.77 0.00 0.11 0.00 0.00 66.00 65.30 2j04 h PRO 84 Cb 1.01 0.02 0.05 0.00 0.11 0.00 0.00 31.00 32.20 2j04 h PRO 84 CO 0.52 -0.07 0.14 0.28 -0.21 0.00 0.00 178.00 178.66 2j04 n VAL 85 N -2.84 0.01 -3.40 3.15 0.31 -1.26 -4.93 118.33 109.37 2j04 n VAL 85 Ca -0.01 -0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.94 2j04 n VAL 85 Cb 0.06 -0.17 -0.06 0.00 -0.91 0.00 0.00 33.84 32.76 2j04 n VAL 85 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2j04 s TYR 87 N 0.07 0.60 0.19 0.00 -0.85 -1.26 -4.83 117.35 111.28 2j04 s TYR 87 Ca 0.24 -1.08 -0.26 0.00 -0.52 0.00 0.00 57.07 55.45 2j04 s TYR 87 Cb -0.15 -0.38 -0.08 0.00 0.38 0.00 0.00 41.96 41.72 2j04 s TYR 87 CO 0.10 -0.46 0.82 -1.25 -1.52 0.00 0.00 175.55 173.24 2j04 s PRO 88 N -3.96 4.61 -0.07 -3.49 0.04 -1.26 -2.15 135.00 128.71 2j04 s PRO 88 Ca 0.13 1.22 -0.08 0.00 0.04 0.00 0.00 61.00 62.31 2j04 s PRO 88 Cb 0.07 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 2j04 s PRO 88 CO -0.06 0.53 -0.16 0.54 0.04 0.00 0.00 177.00 177.89 2j04 n ARG 89 N 1.45 0.25 -4.37 4.56 1.74 -0.01 -4.86 116.66 115.42 2j04 n ARG 89 Ca -0.04 0.10 -0.22 0.00 -0.77 0.00 0.00 57.85 56.92 2j04 n ARG 89 Cb 0.49 -0.89 -0.11 0.00 -1.02 0.00 0.00 32.46 30.93 2j04 n ARG 89 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2j04 s VAL 90 N -2.03 1.95 -0.10 1.55 -7.23 -1.06 -4.89 120.40 108.60 2j04 s VAL 90 Ca -0.13 -2.10 -0.04 0.00 -1.81 0.00 0.00 61.98 57.89 2j04 s VAL 90 Cb 0.02 -2.00 0.05 0.00 0.56 0.00 0.00 36.38 35.00 2j04 s VAL 90 CO 0.20 -0.39 0.22 0.00 -0.31 0.00 0.00 175.10 174.81 2j04 s LYS 92 N 1.64 0.51 0.53 0.00 1.02 -0.49 -4.78 119.74 118.17 2j04 s LYS 92 Ca -0.05 0.06 -0.17 0.00 0.02 0.00 0.00 55.97 55.83 2j04 s LYS 92 Cb -0.11 -1.11 -0.07 0.00 -0.52 0.00 0.00 37.83 36.02 2j04 s LYS 92 CO -0.08 -0.37 1.01 -1.25 -0.92 0.00 0.00 175.35 173.75 2j04 s PRO 93 N 1.99 3.77 0.29 -1.68 0.04 -1.26 -1.51 135.00 136.63 2j04 s PRO 93 Ca 0.04 1.08 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 2j04 s PRO 93 Cb -0.13 -2.10 -0.11 0.00 0.04 0.00 0.00 34.50 32.20 2j04 s PRO 93 CO -0.06 -0.43 1.47 0.45 0.04 0.00 0.00 177.00 178.48 2j04 s SER 94 N -2.80 6.55 0.00 6.66 0.15 -0.61 -4.89 113.70 118.77 2j04 s SER 94 Ca 0.61 2.80 0.19 0.00 0.70 0.00 0.00 55.95 60.26 2j04 s SER 94 Cb -0.12 -2.64 0.82 0.00 -1.71 0.00 0.00 66.02 62.37 2j04 s SER 94 CO 0.30 -0.76 1.60 -0.81 1.20 0.00 0.00 173.24 174.77 2j04 n PRO 95 N 1.83 0.02 0.03 5.44 -0.04 -1.26 -4.33 135.00 136.68 2j04 n PRO 95 Ca 0.05 0.17 -0.01 0.00 -0.04 0.00 0.00 63.50 63.68 2j04 n PRO 95 Cb 0.39 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.35 2j04 n PRO 95 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2j04 n ILE 96 N -1.48 0.84 -4.06 0.52 5.41 -1.26 -4.89 119.36 114.43 2j04 n ILE 96 Ca 0.05 0.26 -0.23 0.00 1.00 0.00 0.00 62.75 63.83 2j04 n ILE 96 Cb 0.22 -1.59 -0.06 0.00 -0.71 0.00 0.00 39.64 37.50 2j04 n ILE 96 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2j04 s ASP 97 N -5.69 4.87 -0.61 4.38 1.11 -1.26 -5.07 116.67 114.40 2j04 s ASP 97 Ca -0.01 -0.65 -0.24 0.00 0.18 0.00 0.00 52.55 51.83 2j04 s ASP 97 Cb 0.00 -0.86 0.05 0.00 1.07 0.00 0.00 42.92 43.18 2j04 s ASP 97 CO 0.02 -0.25 1.00 -0.62 1.18 0.00 0.00 175.17 176.51 2j04 s ASP 98 N -3.85 6.27 0.00 0.27 -1.08 -1.26 -4.19 116.67 112.82 2j04 s ASP 98 Ca 0.37 -0.56 0.00 0.00 -0.52 0.00 0.00 52.55 51.84 2j04 s ASP 98 Cb -0.04 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 2j04 s ASP 98 CO 0.23 -1.39 0.00 1.87 0.52 0.00 0.00 175.17 176.40 2j04 n TRP 99 N 7.83 0.00 -3.62 -5.34 -0.00 -1.26 -4.81 117.44 110.24 2j04 n TRP 99 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.41 2j04 n TRP 99 Cb 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.72 2j04 n TRP 99 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 177.69 179.10 2j04 s MET 100 N -1.96 0.52 0.07 5.87 -2.45 -0.68 -1.57 119.30 119.11 2j04 s MET 100 Ca 0.00 0.46 0.07 0.00 -1.25 0.00 0.00 55.69 54.98 2j04 s MET 100 Cb 0.00 0.25 -0.04 0.00 1.25 0.00 0.00 34.83 36.29 2j04 s MET 100 CO 0.00 -0.09 -0.16 0.00 1.05 0.00 0.00 175.02 175.82 2j04 s ALA 101 N -0.13 2.71 -0.09 4.11 0.00 -0.57 0.85 121.76 128.64 2j04 s ALA 101 Ca 0.02 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 2j04 s ALA 101 Cb -0.04 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.34 2j04 s ALA 101 CO -0.04 0.59 -0.03 0.08 0.00 0.00 0.00 175.76 176.36 2j04 s VAL 102 N -1.04 0.64 -0.16 0.00 1.01 -0.07 -1.40 120.40 119.38 2j04 s VAL 102 Ca 0.17 -0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 2j04 s VAL 102 Cb -0.11 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 2j04 s VAL 102 CO 0.08 0.30 0.97 -0.22 0.00 0.00 0.00 175.10 176.24 2j04 s LEU 103 N 1.81 4.18 0.72 3.92 2.96 -0.53 -1.70 118.68 130.05 2j04 s LEU 103 Ca 0.04 1.39 -0.04 0.00 -0.22 0.00 0.00 54.13 55.31 2j04 s LEU 103 Cb -0.12 -3.47 0.11 0.00 0.50 0.00 0.00 46.19 43.20 2j04 s LEU 103 CO -0.06 -0.51 1.01 -0.94 -1.32 0.00 0.00 176.35 174.53 2j04 s SER 104 N 1.15 4.42 0.00 3.68 1.04 0.63 -0.83 113.70 123.78 2j04 s SER 104 Ca 0.44 -0.05 0.25 0.00 0.48 0.00 0.00 55.95 57.07 2j04 s SER 104 Cb -0.17 -0.41 1.46 0.00 0.10 0.00 0.00 66.02 67.00 2j04 s SER 104 CO 0.13 -1.82 1.86 -0.46 0.98 0.00 0.00 173.24 173.93 2j04 n ASN 105 N -2.90 0.00 -0.33 7.02 6.94 -0.92 -2.93 115.26 122.14 2j04 n ASN 105 Ca 0.12 -0.64 0.08 0.00 -0.02 0.00 0.00 54.58 54.12 2j04 n ASN 105 Cb 0.60 -0.06 0.16 0.00 -2.36 0.00 0.00 39.78 38.12 2j04 n ASN 105 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2j04 n ASN 106 N -1.06 2.78 0.00 0.53 4.13 -1.26 -4.96 115.26 115.41 2j04 n ASN 106 Ca 0.17 -2.85 0.00 0.00 1.68 0.00 0.00 54.58 53.59 2j04 n ASN 106 Cb 0.11 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.96 2j04 n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2j04 n GLY 107 N -0.92 0.63 3.75 7.41 0.00 -1.15 -4.79 105.19 110.12 2j04 n GLY 107 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2j04 n GLY 107 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2j04 s ASN 108 N -2.18 7.18 -0.30 1.61 -0.87 -1.26 -0.59 114.94 118.54 2j04 s ASN 108 Ca 0.00 1.41 -0.02 0.00 -1.57 0.00 0.00 52.86 52.68 2j04 s ASN 108 Cb 0.00 -2.45 0.05 0.00 -0.02 0.00 0.00 41.25 38.82 2j04 s ASN 108 CO 0.00 0.04 0.00 -0.69 -2.57 0.00 0.00 177.10 173.88 2j04 s VAL 109 N -0.14 3.04 0.07 1.60 1.01 -1.26 -0.27 120.40 124.45 2j04 s VAL 109 Ca 0.37 -1.34 0.05 0.00 0.00 0.00 0.00 61.98 61.06 2j04 s VAL 109 Cb -0.20 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2j04 s VAL 109 CO 0.22 -0.09 -0.07 -0.44 0.00 0.00 0.00 175.10 174.72 2j04 s SER 110 N 1.27 4.61 -0.09 3.32 0.01 -0.69 -2.17 113.70 119.96 2j04 s SER 110 Ca -0.05 -0.26 -0.01 0.00 1.31 0.00 0.00 55.95 56.95 2j04 s SER 110 Cb -0.20 -1.00 -0.03 0.00 0.21 0.00 0.00 66.02 65.00 2j04 s SER 110 CO -0.01 0.21 -0.05 -0.69 0.41 0.00 0.00 173.24 173.11 2j04 s VAL 111 N -1.16 3.84 -0.03 3.43 1.01 -0.97 -0.89 120.40 125.62 2j04 s VAL 111 Ca 0.21 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.81 2j04 s VAL 111 Cb -0.11 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.66 2j04 s VAL 111 CO 0.13 0.57 -0.14 -0.36 0.00 0.00 0.00 175.10 175.30 2j04 s PHE 112 N -0.49 1.38 -0.39 5.22 0.40 0.25 0.48 117.98 124.83 2j04 s PHE 112 Ca 0.08 -0.35 -0.16 0.00 -0.60 0.00 0.00 56.93 55.89 2j04 s PHE 112 Cb -0.12 -0.93 0.01 0.00 0.51 0.00 0.00 43.02 42.48 2j04 s PHE 112 CO 0.02 -0.11 0.39 0.21 0.70 0.00 0.00 175.22 176.43 2j04 s LYS 113 N -0.00 3.27 4.09 0.44 2.47 -0.60 -1.68 119.74 127.72 2j04 s LYS 113 Ca -0.01 -0.65 0.00 0.00 -1.56 0.00 0.00 55.97 53.75 2j04 s LYS 113 Cb -0.09 -3.90 0.00 0.00 -1.46 0.00 0.00 37.83 32.37 2j04 s LYS 113 CO 0.01 -0.71 0.00 -0.25 0.16 0.00 0.00 175.35 174.56 2j04 n ASP 114 N 5.47 0.00 -0.13 1.43 8.00 -1.26 -2.23 116.55 127.83 2j04 n ASP 114 Ca -0.08 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.14 2j04 n ASP 114 Cb 0.48 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.49 2j04 n ASP 114 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2j04 n ASN 115 N 9.06 1.84 -4.69 -2.24 3.02 -1.26 -4.96 115.26 116.02 2j04 n ASN 115 Ca 0.00 0.32 -0.59 0.00 -0.03 0.00 0.00 54.58 54.28 2j04 n ASN 115 Cb 0.00 -0.77 -0.08 0.00 -0.61 0.00 0.00 39.78 38.32 2j04 n ASN 115 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2j04 n LYS 116 N -4.18 0.82 -1.78 3.52 5.02 -0.95 -4.79 118.16 115.83 2j04 n LYS 116 Ca -0.51 0.30 -0.37 0.00 -2.02 0.00 0.00 58.31 55.71 2j04 n LYS 116 Cb 0.86 -1.93 0.05 0.00 -0.02 0.00 0.00 35.03 34.00 2j04 n LYS 116 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2j04 s MET 117 N 2.86 2.81 -0.15 1.97 -2.45 -1.26 -1.56 119.30 121.52 2j04 s MET 117 Ca 0.98 2.12 -0.15 0.00 -1.25 0.00 0.00 55.69 57.38 2j04 s MET 117 Cb -1.17 -2.01 -0.06 0.00 1.25 0.00 0.00 34.83 32.84 2j04 s MET 117 CO 0.67 -1.41 -0.30 1.28 1.05 0.00 0.00 175.02 176.31 2j04 n LEU 118 N -1.53 1.81 -3.71 4.11 4.77 0.18 -4.80 117.00 117.82 2j04 n LEU 118 Ca 0.14 0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 56.28 2j04 n LEU 118 Cb 0.47 -0.69 -0.09 0.00 -2.33 0.00 0.00 43.42 40.78 2j04 n LEU 118 CO 0.49 -0.26 0.14 0.28 -1.33 0.00 0.00 177.39 176.71 2j04 s THR 119 N -2.75 0.00 -0.41 -5.08 -1.32 -1.24 -4.84 115.64 99.99 2j04 s THR 119 Ca -0.26 -0.03 -0.14 0.00 -1.21 0.00 0.00 61.69 60.05 2j04 s THR 119 Cb 0.04 -0.66 0.03 0.00 -1.51 0.00 0.00 72.50 70.40 2j04 s THR 119 CO 0.38 -0.02 0.29 0.21 -2.21 0.00 0.00 174.62 173.27 2j04 s ASN 120 N 0.09 6.05 0.13 8.08 2.47 -1.26 -2.30 114.94 128.20 2j04 s ASN 120 Ca -0.01 -0.96 -0.34 0.00 0.42 0.00 0.00 52.86 51.97 2j04 s ASN 120 Cb -0.03 -2.14 -0.13 0.00 -1.45 0.00 0.00 41.25 37.49 2j04 s ASN 120 CO 0.01 -0.46 1.65 0.18 -3.72 0.00 0.00 177.10 174.76 2j04 n LEU 121 N 5.14 3.26 -3.65 3.21 4.77 -0.92 -4.96 117.00 123.84 2j04 n LEU 121 Ca -0.11 1.06 -0.10 0.00 -0.03 0.00 0.00 56.01 56.82 2j04 n LEU 121 Cb 0.46 -1.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.08 2j04 n LEU 121 CO 0.41 -0.20 0.20 -0.62 -1.33 0.00 0.00 177.39 175.85 2j04 s ASP 122 N 1.48 -0.26 0.00 -1.43 2.15 -1.26 -4.66 116.67 112.69 2j04 s ASP 122 Ca 0.81 -0.35 0.00 0.00 0.43 0.00 0.00 52.55 53.44 2j04 s ASP 122 Cb -0.66 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 42.47 2j04 s ASP 122 CO 0.39 -0.91 0.00 -1.54 -0.17 0.00 0.00 175.17 172.95 2j04 n SER 123 N -0.26 0.00 0.00 -0.34 3.41 -1.26 -4.49 113.62 110.67 2j04 n SER 123 Ca -0.14 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 2j04 n SER 123 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 2j04 n SER 123 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2j04 n LYS 124 N 0.00 0.00 0.00 4.33 2.85 -1.26 -4.97 118.16 119.11 2j04 n LYS 124 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2j04 n LYS 124 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2j04 n LYS 124 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2j04 n GLY 125 N 0.00 2.40 5.83 2.58 0.00 -1.26 -5.06 105.19 109.68 2j04 n GLY 125 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2j04 n GLY 125 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2j04 n ASN 126 N 0.00 0.00 0.00 1.61 3.02 -1.26 -4.08 115.26 114.55 2j04 n ASN 126 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2j04 n ASN 126 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2j04 n ASN 126 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2j04 n LEU 127 N 0.00 0.00 -0.19 3.41 7.94 -1.26 -4.79 117.00 122.11 2j04 n LEU 127 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2j04 n LEU 127 Cb 0.00 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.05 2j04 n LEU 127 CO 0.00 0.00 0.97 -1.28 -1.11 0.00 0.00 177.39 175.97 2j04 h SER 128 N 0.23 0.17 0.17 1.96 0.87 -1.93 -1.82 113.55 113.21 2j04 h SER 128 Ca 0.00 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 2j04 h SER 128 Cb 0.00 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2j04 h SER 128 CO 0.00 0.11 -0.17 0.28 -0.53 0.00 0.00 176.83 176.52 2j04 h SER 129 N 0.37 0.00 -0.03 6.23 0.02 -1.87 -2.90 113.55 115.38 2j04 h SER 129 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2j04 h SER 129 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2j04 h SER 129 CO -0.31 0.17 0.00 0.54 -1.14 0.00 0.00 176.83 176.08 2j04 n ARG 130 N -4.32 1.59 -4.57 3.45 1.74 -0.83 -4.76 116.66 108.96 2j04 n ARG 130 Ca -0.02 -1.61 -0.33 0.00 -0.77 0.00 0.00 57.85 55.11 2j04 n ARG 130 Cb 0.23 -1.36 -0.14 0.00 -1.02 0.00 0.00 32.46 30.18 2j04 n ARG 130 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2j04 s THR 131 N -1.55 3.30 0.19 0.55 -1.32 -0.75 -4.90 115.64 111.16 2j04 s THR 131 Ca 0.22 -0.57 0.09 0.00 -1.21 0.00 0.00 61.69 60.22 2j04 s THR 131 Cb 0.16 -2.42 -0.04 0.00 -1.51 0.00 0.00 72.50 68.69 2j04 s THR 131 CO 0.23 0.51 -0.09 -0.31 -2.21 0.00 0.00 174.62 172.75 2j04 s TYR 132 N 0.49 2.64 0.00 9.09 4.12 0.25 -2.88 117.35 131.05 2j04 s TYR 132 Ca -0.07 -0.22 0.00 0.00 0.02 0.00 0.00 57.07 56.80 2j04 s TYR 132 Cb -0.15 -1.28 0.00 0.00 -1.52 0.00 0.00 41.96 39.01 2j04 s TYR 132 CO 0.04 0.52 0.46 0.72 0.02 0.00 0.00 175.55 177.31 2j04 n HIS 133 N -0.04 0.00 -3.63 2.71 8.25 -0.68 -4.16 115.22 117.67 2j04 n HIS 133 Ca -0.10 -0.07 -0.03 0.00 -0.26 0.00 0.00 57.72 57.25 2j04 n HIS 133 Cb 0.56 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 2j04 n HIS 133 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2j04 s PHE 135 N -1.73 -0.40 0.08 0.00 -0.12 -1.26 -0.83 117.98 113.73 2j04 s PHE 135 Ca 0.09 0.91 0.07 0.00 -0.05 0.00 0.00 56.93 57.95 2j04 s PHE 135 Cb -0.01 0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.50 2j04 s PHE 135 CO -0.05 -0.26 -0.17 -2.00 -0.05 0.00 0.00 175.22 172.69 2j04 s GLU 136 N -0.14 0.99 0.15 1.99 2.56 -0.42 -4.92 118.70 118.90 2j04 s GLU 136 Ca -0.03 -1.03 -0.18 0.00 0.00 0.00 0.00 54.97 53.73 2j04 s GLU 136 Cb -0.03 -1.11 -0.07 0.00 2.00 0.00 0.00 34.13 34.91 2j04 s GLU 136 CO 0.02 0.26 0.62 -1.58 -0.56 0.00 0.00 175.26 174.01 2j04 s TRP 137 N -1.17 3.69 -0.10 5.30 0.52 -1.26 -0.67 118.94 125.26 2j04 s TRP 137 Ca 0.02 1.25 -0.29 0.00 0.02 0.00 0.00 56.10 57.10 2j04 s TRP 137 Cb -0.10 -2.50 -0.05 0.00 -1.15 0.00 0.00 33.47 29.67 2j04 s TRP 137 CO 0.03 0.45 1.78 1.21 0.02 0.00 0.00 176.95 180.44 2j04 s ASN 138 N -1.49 6.40 0.00 2.95 3.04 -0.49 -4.78 114.94 120.56 2j04 s ASN 138 Ca 0.37 2.13 0.28 0.00 0.04 0.00 0.00 52.86 55.67 2j04 s ASN 138 Cb -0.17 -2.53 1.27 0.00 -1.54 0.00 0.00 41.25 38.28 2j04 s ASN 138 CO 0.20 -1.16 1.91 -0.81 -3.04 0.00 0.00 177.10 174.20 2j04 n PRO 139 N 7.55 0.17 -0.05 0.43 -0.04 -1.26 -4.19 135.00 137.61 2j04 n PRO 139 Ca 0.20 0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.58 2j04 n PRO 139 Cb 0.43 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 2j04 n PRO 139 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2j04 n ILE 140 N -1.41 0.61 -3.16 0.52 5.41 -1.26 -4.94 119.36 115.13 2j04 n ILE 140 Ca 0.09 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2j04 n ILE 140 Cb 0.28 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.55 2j04 n ILE 140 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2j04 n GLU 141 N -3.48 2.93 -3.32 0.38 1.02 -1.26 -5.06 120.64 111.86 2j04 n GLU 141 Ca -0.19 0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 56.50 2j04 n GLU 141 Cb 0.60 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.02 2j04 n GLU 141 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2j04 s SER 142 N -0.11 7.09 0.27 1.62 0.01 -1.26 -4.49 113.70 116.83 2j04 s SER 142 Ca 0.00 -3.20 -0.00 0.00 1.31 0.00 0.00 55.95 54.06 2j04 s SER 142 Cb 0.00 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2j04 s SER 142 CO 0.00 -0.43 0.36 -1.54 0.41 0.00 0.00 173.24 172.05 2j04 n SER 143 N 3.35 -1.00 -3.75 2.44 3.41 -1.26 -4.15 113.62 112.66 2j04 n SER 143 Ca 0.20 -2.52 -0.11 0.00 -0.26 0.00 0.00 58.87 56.18 2j04 n SER 143 Cb 0.43 1.90 -0.07 0.00 -0.26 0.00 0.00 64.21 66.21 2j04 n SER 143 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2j04 s ILE 144 N -2.78 0.09 -0.00 -1.33 2.07 -0.49 -1.40 121.20 117.36 2j04 s ILE 144 Ca 0.24 -0.71 0.06 0.00 -1.41 0.00 0.00 60.65 58.83 2j04 s ILE 144 Cb -0.00 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 2j04 s ILE 144 CO 0.17 -0.39 -0.19 -0.69 -1.91 0.00 0.00 174.94 171.93 2j04 s VAL 145 N -2.79 1.52 0.24 4.00 1.01 0.16 -0.53 120.40 124.01 2j04 s VAL 145 Ca -0.03 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.15 2j04 s VAL 145 Cb -0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2j04 s VAL 145 CO -0.05 0.37 -0.03 0.68 0.00 0.00 0.00 175.10 176.07 2j04 s VAL 146 N -0.52 3.38 -0.06 2.92 -7.23 0.49 -1.31 120.40 118.07 2j04 s VAL 146 Ca 0.07 -1.84 0.04 0.00 -1.81 0.00 0.00 61.98 58.44 2j04 s VAL 146 Cb -0.08 -2.77 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 2j04 s VAL 146 CO -0.00 -0.30 -0.17 -0.83 -0.31 0.00 0.00 175.10 173.49 2j04 s GLY 147 N -3.43 1.46 0.00 2.32 0.00 -0.01 -1.39 107.32 106.27 2j04 s GLY 147 Ca 0.30 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 44.02 2j04 s GLY 147 CO 0.19 -0.68 0.00 1.16 0.00 0.00 0.00 173.10 173.77 2j04 n ASN 148 N 2.62 1.88 -0.13 1.64 0.23 -0.89 -1.68 115.26 118.92 2j04 n ASN 148 Ca -0.17 -0.98 0.15 0.00 -0.53 0.00 0.00 54.58 53.05 2j04 n ASN 148 Cb 0.52 0.00 0.75 0.00 -2.08 0.00 0.00 39.78 38.97 2j04 n ASN 148 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2j04 n GLU 149 N -0.06 1.00 0.00 -3.83 1.02 -1.09 -1.95 120.64 115.73 2j04 n GLU 149 Ca 0.00 -0.27 0.13 0.00 -0.02 0.00 0.00 57.16 57.00 2j04 n GLU 149 Cb 0.00 -1.49 0.33 0.00 -0.02 0.00 0.00 31.44 30.26 2j04 n GLU 149 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2j04 n ASP 150 N -0.76 1.47 -2.52 1.62 8.00 -1.26 -4.32 116.55 118.78 2j04 n ASP 150 Ca 0.19 -1.24 -0.05 0.00 0.71 0.00 0.00 54.79 54.40 2j04 n ASP 150 Cb 0.22 0.14 0.02 0.00 -0.02 0.00 0.00 41.12 41.48 2j04 n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j04 n GLY 151 N 1.31 -0.60 3.29 0.44 0.00 -0.93 -4.51 105.19 104.19 2j04 n GLY 151 Ca 0.14 0.23 -0.13 0.00 0.00 0.00 0.00 46.02 46.26 2j04 n GLY 151 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2j04 s GLU 152 N -3.47 0.57 -0.20 1.61 2.12 -1.26 0.07 118.70 118.14 2j04 s GLU 152 Ca 0.15 0.28 -0.04 0.00 0.36 0.00 0.00 54.97 55.73 2j04 s GLU 152 Cb -0.02 0.27 -0.01 0.00 0.26 0.00 0.00 34.13 34.62 2j04 s GLU 152 CO 0.46 -0.12 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.51 2j04 s LEU 153 N -0.41 2.99 -0.15 2.70 1.43 0.86 -2.09 118.68 124.03 2j04 s LEU 153 Ca -0.05 -0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 2j04 s LEU 153 Cb -0.03 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 2j04 s LEU 153 CO 0.02 0.04 -0.05 -1.10 0.23 0.00 0.00 176.35 175.49 2j04 s GLN 154 N 1.15 3.61 -0.09 1.70 -0.21 -0.49 -0.72 119.66 124.61 2j04 s GLN 154 Ca 0.02 -0.53 -0.01 0.00 0.02 0.00 0.00 55.36 54.85 2j04 s GLN 154 Cb -0.15 -2.87 -0.03 0.00 1.00 0.00 0.00 33.01 30.96 2j04 s GLN 154 CO -0.00 0.26 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.35 2j04 s PHE 155 N 0.30 3.09 -0.08 0.91 0.40 0.15 -0.38 117.98 122.37 2j04 s PHE 155 Ca -0.04 0.08 0.03 0.00 -0.60 0.00 0.00 56.93 56.40 2j04 s PHE 155 Cb -0.14 -1.80 0.01 0.00 0.51 0.00 0.00 43.02 41.60 2j04 s PHE 155 CO 0.03 0.36 -0.15 -0.06 0.70 0.00 0.00 175.22 176.10 2j04 s PHE 156 N -0.68 1.79 0.27 0.36 0.40 0.31 -0.74 117.98 119.69 2j04 s PHE 156 Ca 0.11 -0.71 0.04 0.00 -0.60 0.00 0.00 56.93 55.77 2j04 s PHE 156 Cb -0.12 -1.27 0.04 0.00 0.51 0.00 0.00 43.02 42.19 2j04 s PHE 156 CO 0.02 -0.34 0.37 0.43 0.70 0.00 0.00 175.22 176.40 2j04 n SER 157 N 3.80 0.95 0.00 1.36 7.64 -1.10 -1.39 113.62 124.88 2j04 n SER 157 Ca -0.21 -1.70 0.00 0.00 1.01 0.00 0.00 58.87 57.97 2j04 n SER 157 Cb 0.52 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 2j04 n SER 157 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2j04 n ILE 158 N -1.59 0.00 0.00 0.44 5.41 -1.26 -2.61 119.36 119.75 2j04 n ILE 158 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 2j04 n ILE 158 Cb 0.27 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.20 2j04 n ILE 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2j04 n ARG 159 N 0.00 0.00 0.00 0.38 3.00 -1.26 -4.70 116.66 114.08 2j04 n ARG 159 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2j04 n ARG 159 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2j04 n ARG 159 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2j04 n LYS 160 N 0.00 0.00 0.00 5.56 4.76 -1.26 -4.30 118.16 122.92 2j04 n LYS 160 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2j04 n LYS 160 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2j04 n LYS 160 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2j04 n ASN 161 N 0.00 0.00 -3.76 4.39 5.03 -1.20 -4.87 115.26 114.84 2j04 n ASN 161 Ca 0.00 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.17 2j04 n ASN 161 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2j04 n ASN 161 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2j04 n SER 162 N 3.73 -4.03 -2.58 6.41 7.64 -1.26 -3.30 113.62 120.23 2j04 n SER 162 Ca 0.00 -0.95 -0.05 0.00 1.01 0.00 0.00 58.87 58.88 2j04 n SER 162 Cb 0.00 -1.39 -0.04 0.00 -1.01 0.00 0.00 64.21 61.77 2j04 n SER 162 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2j04 n GLU 163 N -3.01 -4.62 0.00 1.43 0.00 -1.26 -4.49 120.64 108.69 2j04 n GLU 163 Ca -0.24 3.46 0.00 0.00 0.00 0.00 0.00 57.16 60.38 2j04 n GLU 163 Cb 0.58 -4.88 0.00 0.00 0.00 0.00 0.00 31.44 27.14 2j04 n GLU 163 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2j04 n ASN 164 N 1.78 0.00 -4.57 4.31 4.13 -1.26 -4.86 115.26 114.79 2j04 n ASN 164 Ca -0.35 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.48 2j04 n ASN 164 Cb 0.54 -0.14 -0.03 0.00 -1.54 0.00 0.00 39.78 38.61 2j04 n ASN 164 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2j04 s THR 165 N 0.00 4.32 0.00 3.41 -4.23 -1.21 -5.02 115.64 112.91 2j04 s THR 165 Ca 0.00 0.88 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 2j04 s THR 165 Cb 0.00 -4.54 0.00 0.00 1.34 0.00 0.00 72.50 69.30 2j04 s THR 165 CO 0.00 -0.98 0.00 -2.65 -0.54 0.00 0.00 174.62 170.45 2j04 n PRO 166 N 7.58 0.00 -1.13 3.99 -0.02 -1.26 -3.97 135.00 140.19 2j04 n PRO 166 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2j04 n PRO 166 Cb 0.49 -0.05 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 2j04 n PRO 166 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2j04 n GLU 167 N 0.00 -1.11 -2.42 -0.52 2.13 -1.26 -3.26 120.64 114.19 2j04 n GLU 167 Ca 0.00 1.19 -0.25 0.00 0.66 0.00 0.00 57.16 58.76 2j04 n GLU 167 Cb 0.00 -1.21 0.04 0.00 0.27 0.00 0.00 31.44 30.54 2j04 n GLU 167 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2j04 s PHE 168 N -0.12 3.11 -0.00 4.31 0.40 -1.26 -4.19 117.98 120.23 2j04 s PHE 168 Ca 0.00 0.47 -0.28 0.00 -0.60 0.00 0.00 56.93 56.52 2j04 s PHE 168 Cb 0.00 -2.83 0.08 0.00 0.51 0.00 0.00 43.02 40.78 2j04 s PHE 168 CO 0.00 -0.95 0.71 1.52 0.70 0.00 0.00 175.22 177.20 2j04 s TYR 169 N -3.00 -0.57 0.35 0.36 -0.00 -1.07 -5.00 117.35 108.43 2j04 s TYR 169 Ca 0.55 0.77 -0.28 0.00 -0.00 0.00 0.00 57.07 58.11 2j04 s TYR 169 Cb -0.11 0.47 -0.11 0.00 -0.00 0.00 0.00 41.96 42.22 2j04 s TYR 169 CO 0.44 -0.64 1.43 0.12 -0.00 0.00 0.00 175.55 176.89 2j04 s PHE 170 N -2.06 2.77 0.00 -3.49 5.36 -1.26 -2.72 117.98 116.58 2j04 s PHE 170 Ca -0.05 1.24 0.00 0.00 -0.96 0.00 0.00 56.93 57.16 2j04 s PHE 170 Cb -0.00 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 38.78 2j04 s PHE 170 CO 0.01 -2.60 0.00 -1.91 -1.46 0.00 0.00 175.22 169.26 2j04 n GLU 171 N 0.69 0.00 -3.79 10.12 0.00 0.08 -4.84 120.64 122.91 2j04 n GLU 171 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.12 2j04 n GLU 171 Cb 0.40 -0.45 -0.01 0.00 0.00 0.00 0.00 31.44 31.38 2j04 n GLU 171 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2j04 s SER 172 N -4.76 -0.20 0.22 4.31 1.04 -1.08 -5.00 113.70 108.22 2j04 s SER 172 Ca 0.00 -0.49 -0.01 0.00 0.48 0.00 0.00 55.95 55.93 2j04 s SER 172 Cb 0.00 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 2j04 s SER 172 CO 0.00 -1.07 0.16 -0.94 0.98 0.00 0.00 173.24 172.38 2j04 s SER 173 N -2.94 0.29 -0.10 7.02 1.04 -1.26 0.32 113.70 118.07 2j04 s SER 173 Ca 0.12 -1.40 -0.04 0.00 0.48 0.00 0.00 55.95 55.10 2j04 s SER 173 Cb -0.03 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.55 2j04 s SER 173 CO 0.04 -0.88 0.21 -0.63 0.98 0.00 0.00 173.24 172.97 2j04 s ILE 174 N -4.08 -0.09 0.29 -1.02 1.09 0.10 -4.95 121.20 112.54 2j04 s ILE 174 Ca 0.38 0.18 -0.28 0.00 -1.10 0.00 0.00 60.65 59.83 2j04 s ILE 174 Cb 0.06 -0.34 -0.09 0.00 -1.06 0.00 0.00 42.46 41.03 2j04 s ILE 174 CO 0.13 0.08 0.99 -0.13 -0.10 0.00 0.00 174.94 175.91 2j04 s ARG 175 N 1.42 4.67 -0.04 2.79 1.81 -1.26 -0.10 118.95 128.24 2j04 s ARG 175 Ca -0.07 1.53 -0.01 0.00 -1.72 0.00 0.00 55.73 55.45 2j04 s ARG 175 Cb -0.11 -3.07 -0.02 0.00 -0.45 0.00 0.00 34.95 31.30 2j04 s ARG 175 CO -0.08 0.32 -0.05 1.28 -0.68 0.00 0.00 175.30 176.09 2j04 n LEU 176 N 1.03 1.20 -4.93 2.53 4.77 0.11 -4.95 117.00 116.77 2j04 n LEU 176 Ca -0.00 0.03 -0.25 0.00 -0.03 0.00 0.00 56.01 55.76 2j04 n LEU 176 Cb 0.47 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 2j04 n LEU 176 CO 0.49 0.25 0.43 -0.94 -1.33 0.00 0.00 177.39 176.29 2j04 s SER 177 N -5.07 5.74 0.82 -1.43 1.04 -1.11 -5.06 113.70 108.62 2j04 s SER 177 Ca -0.06 0.56 -0.11 0.00 0.48 0.00 0.00 55.95 56.82 2j04 s SER 177 Cb 0.02 -1.68 0.08 0.00 0.10 0.00 0.00 66.02 64.54 2j04 s SER 177 CO 0.08 -0.88 1.09 -1.81 0.98 0.00 0.00 173.24 172.70 2j04 s ASP 178 N -4.25 4.21 0.11 7.02 -0.00 -1.26 -4.97 116.67 117.51 2j04 s ASP 178 Ca 0.51 1.54 -0.28 0.00 -0.00 0.00 0.00 52.55 54.32 2j04 s ASP 178 Cb -0.10 -2.27 -0.10 0.00 -0.00 0.00 0.00 42.92 40.45 2j04 s ASP 178 CO 0.42 -2.18 1.63 0.00 -0.00 0.00 0.00 175.17 175.04 2j04 h ALA 179 N -1.23 -0.54 0.00 5.23 0.00 -1.98 -3.06 119.26 117.68 2j04 h ALA 179 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2j04 h ALA 179 Cb 1.26 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2j04 h ALA 179 CO 0.55 -0.84 0.00 0.41 0.00 0.00 0.00 179.25 179.37 2j04 n GLY 180 N -1.40 0.98 3.27 0.00 0.00 -1.26 -4.68 105.19 102.10 2j04 n GLY 180 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2j04 n GLY 180 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2j04 s SER 181 N 1.41 -0.32 -0.47 1.61 0.01 -1.16 -5.08 113.70 109.69 2j04 s SER 181 Ca 0.00 0.48 0.09 0.00 1.31 0.00 0.00 55.95 57.82 2j04 s SER 181 Cb 0.00 0.57 0.35 0.00 0.21 0.00 0.00 66.02 67.15 2j04 s SER 181 CO 0.00 -0.28 0.84 2.29 0.41 0.00 0.00 173.24 176.50 2j04 n LYS 182 N 2.13 2.10 -2.71 12.44 -0.00 -1.26 -4.84 118.16 126.02 2j04 n LYS 182 Ca -0.17 -4.11 -0.34 0.00 -0.00 0.00 0.00 58.31 53.70 2j04 n LYS 182 Cb 0.57 -1.96 -0.06 0.00 -0.00 0.00 0.00 35.03 33.58 2j04 n LYS 182 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2j04 s ASP 183 N -2.96 6.76 0.28 -5.58 -0.00 -1.26 -4.93 116.67 108.97 2j04 s ASP 183 Ca 0.44 1.81 0.07 0.00 -0.00 0.00 0.00 52.55 54.87 2j04 s ASP 183 Cb 0.32 -2.55 -0.03 0.00 -0.00 0.00 0.00 42.92 40.66 2j04 s ASP 183 CO -0.11 -0.49 0.27 0.26 -0.00 0.00 0.00 175.17 175.11 2j04 s TRP 184 N -2.03 3.11 -0.18 4.23 0.51 -1.26 -2.20 118.94 121.12 2j04 s TRP 184 Ca 0.62 -0.16 -0.29 0.00 -2.12 0.00 0.00 56.10 54.16 2j04 s TRP 184 Cb -0.13 -1.59 -0.00 0.00 -0.81 0.00 0.00 33.47 30.94 2j04 s TRP 184 CO 0.17 0.37 1.14 0.08 -0.51 0.00 0.00 176.95 178.20 2j04 s VAL 185 N -2.16 4.49 -0.41 4.03 1.01 -0.82 0.27 120.40 126.81 2j04 s VAL 185 Ca 0.36 1.80 0.09 0.00 0.00 0.00 0.00 61.98 64.24 2j04 s VAL 185 Cb -0.08 -4.16 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 2j04 s VAL 185 CO 0.27 -0.13 0.38 0.35 0.00 0.00 0.00 175.10 175.96 2j04 n THR 186 N 5.22 0.00 -3.77 3.92 -2.24 0.36 -4.43 114.28 113.33 2j04 n THR 186 Ca 0.12 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 2j04 n THR 186 Cb 0.46 0.96 -0.12 0.00 -2.10 0.00 0.00 70.33 69.53 2j04 n THR 186 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2j04 s HIS 187 N -1.91 -0.30 -0.07 4.78 3.76 -1.18 -4.86 115.29 115.50 2j04 s HIS 187 Ca 0.03 0.73 -0.03 0.00 -0.15 0.00 0.00 55.06 55.64 2j04 s HIS 187 Cb 0.07 0.09 0.04 0.00 1.11 0.00 0.00 32.58 33.89 2j04 s HIS 187 CO 0.38 -0.16 0.06 0.42 -0.85 0.00 0.00 174.74 174.59 2j04 s ILE 188 N 0.36 -0.07 -0.21 0.60 1.01 -1.26 -1.02 121.20 120.60 2j04 s ILE 188 Ca -0.02 0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.89 2j04 s ILE 188 Cb -0.03 -0.26 -0.01 0.00 0.01 0.00 0.00 42.46 42.16 2j04 s ILE 188 CO -0.01 0.09 -0.06 -0.69 0.00 0.00 0.00 174.94 174.26 2j04 s VAL 189 N 2.15 3.29 -0.27 2.92 1.01 -0.49 -4.62 120.40 124.40 2j04 s VAL 189 Ca 0.04 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 2j04 s VAL 189 Cb -0.13 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.78 2j04 s VAL 189 CO -0.04 0.44 0.02 0.86 0.00 0.00 0.00 175.10 176.38 2j04 s TRP 190 N 1.30 3.10 -0.12 5.22 -0.11 -1.26 -2.25 118.94 124.81 2j04 s TRP 190 Ca 0.04 -1.10 -0.01 0.00 1.22 0.00 0.00 56.10 56.24 2j04 s TRP 190 Cb -0.14 -2.18 0.03 0.00 -1.50 0.00 0.00 33.47 29.68 2j04 s TRP 190 CO -0.03 -0.60 -0.02 -0.47 -4.62 0.00 0.00 176.95 171.21 2j04 s TYR 191 N 1.46 1.10 0.00 5.86 5.04 -0.88 -4.62 117.35 125.30 2j04 s TYR 191 Ca 0.03 -0.58 0.00 0.00 -2.44 0.00 0.00 57.07 54.08 2j04 s TYR 191 Cb -0.16 -1.03 0.00 0.00 0.35 0.00 0.00 41.96 41.11 2j04 s TYR 191 CO -0.00 -0.47 0.00 0.39 -1.34 0.00 0.00 175.55 174.13 2j04 n GLU 192 N 5.04 0.00 0.00 4.97 -0.58 -1.26 -2.24 120.64 126.56 2j04 n GLU 192 Ca -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 2j04 n GLU 192 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.36 2j04 n GLU 192 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2j04 n ASP 193 N 9.18 1.28 -3.86 1.62 2.03 -1.26 -4.65 116.55 120.89 2j04 n ASP 193 Ca 0.00 -1.28 -0.17 0.00 0.52 0.00 0.00 54.79 53.86 2j04 n ASP 193 Cb 0.00 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.24 2j04 n ASP 193 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2j04 s VAL 194 N -0.28 0.25 -0.05 5.18 1.01 -0.95 -3.86 120.40 121.70 2j04 s VAL 194 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.02 2j04 s VAL 194 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 2j04 s VAL 194 CO 0.00 0.13 -0.23 -0.22 0.00 0.00 0.00 175.10 174.78 2j04 s LEU 195 N 0.66 2.19 -0.05 3.92 2.96 -0.85 -2.07 118.68 125.44 2j04 s LEU 195 Ca -0.07 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.42 2j04 s LEU 195 Cb -0.10 -1.40 0.01 0.00 0.50 0.00 0.00 46.19 45.19 2j04 s LEU 195 CO -0.01 0.27 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.48 2j04 s VAL 196 N -0.29 1.06 0.09 1.68 1.01 -0.96 -0.80 120.40 122.19 2j04 s VAL 196 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2j04 s VAL 196 Cb -0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2j04 s VAL 196 CO 0.03 0.33 -0.03 0.00 0.00 0.00 0.00 175.10 175.42 2j04 s ALA 197 N 0.42 0.79 0.12 5.51 0.00 0.05 -1.39 121.76 127.25 2j04 s ALA 197 Ca -0.09 -1.32 0.04 0.00 0.00 0.00 0.00 51.96 50.59 2j04 s ALA 197 Cb -0.13 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 2j04 s ALA 197 CO 0.02 -0.33 -0.09 0.00 0.00 0.00 0.00 175.76 175.36 2j04 s ALA 198 N -3.81 1.25 0.33 0.00 0.00 -0.19 -0.59 121.76 118.75 2j04 s ALA 198 Ca 0.12 -1.37 0.10 0.00 0.00 0.00 0.00 51.96 50.81 2j04 s ALA 198 Cb 0.07 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.19 2j04 s ALA 198 CO -0.06 -0.10 -0.10 -0.51 0.00 0.00 0.00 175.76 174.99 2j04 s LEU 199 N -2.92 2.76 0.37 0.00 1.43 -0.83 -0.49 118.68 119.00 2j04 s LEU 199 Ca 0.12 -1.11 0.18 0.00 -1.03 0.00 0.00 54.13 52.30 2j04 s LEU 199 Cb 0.01 -1.10 1.15 0.00 0.03 0.00 0.00 46.19 46.29 2j04 s LEU 199 CO -0.01 -0.15 1.68 0.28 0.23 0.00 0.00 176.35 178.39 2j04 h SER 200 N 2.04 0.45 -0.08 2.29 0.02 -0.49 1.04 113.55 118.82 2j04 h SER 200 Ca -0.42 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2j04 h SER 200 Cb 1.25 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2j04 h SER 200 CO 0.67 -0.08 0.00 -0.46 -1.14 0.00 0.00 176.83 175.82 2j04 n ASN 201 N -4.87 0.46 -0.72 3.07 0.23 -1.26 -4.88 115.26 107.30 2j04 n ASN 201 Ca 0.31 -2.00 -0.09 0.00 -0.53 0.00 0.00 54.58 52.27 2j04 n ASN 201 Cb 1.04 -0.07 -0.04 0.00 -2.08 0.00 0.00 39.78 38.63 2j04 n ASN 201 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2j04 n ASN 202 N -0.25 -5.14 -4.78 0.53 3.02 0.36 -0.68 115.26 108.31 2j04 n ASN 202 Ca 0.03 0.23 -0.37 0.00 -0.03 0.00 0.00 54.58 54.44 2j04 n ASN 202 Cb 0.08 -3.47 -0.04 0.00 -0.61 0.00 0.00 39.78 35.74 2j04 n ASN 202 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2j04 s SER 203 N -2.47 6.85 -0.01 6.41 1.04 -1.25 -4.39 113.70 119.87 2j04 s SER 203 Ca 0.00 2.07 0.06 0.00 0.48 0.00 0.00 55.95 58.56 2j04 s SER 203 Cb 0.00 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 2j04 s SER 203 CO 0.00 -0.43 -0.20 -0.69 0.98 0.00 0.00 173.24 172.91 2j04 s VAL 204 N -1.58 1.54 0.17 5.02 1.01 -0.68 -1.97 120.40 123.91 2j04 s VAL 204 Ca 0.56 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.78 2j04 s VAL 204 Cb -0.23 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 2j04 s VAL 204 CO 0.30 0.42 -0.21 -0.36 0.00 0.00 0.00 175.10 175.25 2j04 s PHE 205 N -0.48 1.99 0.02 5.22 0.40 0.24 0.25 117.98 125.62 2j04 s PHE 205 Ca 0.07 -0.42 -0.09 0.00 -0.60 0.00 0.00 56.93 55.89 2j04 s PHE 205 Cb -0.08 -1.00 0.00 0.00 0.51 0.00 0.00 43.02 42.46 2j04 s PHE 205 CO -0.01 0.38 0.17 -1.54 0.70 0.00 0.00 175.22 174.93 2j04 s SER 206 N -2.60 0.02 0.31 1.36 1.04 0.08 -0.77 113.70 113.15 2j04 s SER 206 Ca 0.17 -0.27 -0.06 0.00 0.48 0.00 0.00 55.95 56.26 2j04 s SER 206 Cb -0.07 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2j04 s SER 206 CO 0.08 -0.46 0.49 0.00 0.98 0.00 0.00 173.24 174.32 2j04 s MET 207 N -1.94 1.81 -0.40 4.02 0.23 0.02 -0.29 119.30 122.75 2j04 s MET 207 Ca -0.10 -1.59 -0.08 0.00 -1.03 0.00 0.00 55.69 52.89 2j04 s MET 207 Cb -0.04 0.46 0.07 0.00 -1.53 0.00 0.00 34.83 33.79 2j04 s MET 207 CO -0.01 -0.76 0.22 0.99 -2.03 0.00 0.00 175.02 173.44 2j04 s THR 208 N -3.30 4.10 -0.24 3.16 2.01 -1.25 -2.01 115.64 118.10 2j04 s THR 208 Ca 0.27 -1.37 -0.17 0.00 0.31 0.00 0.00 61.69 60.73 2j04 s THR 208 Cb -0.01 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 2j04 s THR 208 CO 0.16 -0.44 0.48 -0.69 -0.69 0.00 0.00 174.62 173.44 2j04 s VAL 209 N 1.41 5.11 0.00 3.82 1.01 -1.25 -4.59 120.40 125.91 2j04 s VAL 209 Ca 0.02 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.84 2j04 s VAL 209 Cb -0.22 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2j04 s VAL 209 CO 0.02 0.15 0.00 -0.24 0.00 0.00 0.00 175.10 175.03 2j04 n SER 210 N 5.14 0.00 -1.24 3.32 2.88 -1.26 -4.53 113.62 117.92 2j04 n SER 210 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2j04 n SER 210 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2j04 n SER 210 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2j04 n ALA 211 N -3.00 2.17 0.00 -1.46 0.00 -1.26 -4.82 120.51 112.14 2j04 n ALA 211 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2j04 n ALA 211 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2j04 n ALA 211 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2j04 n SER 212 N 1.09 0.00 0.10 0.00 3.41 -1.26 -2.85 113.62 114.10 2j04 n SER 212 Ca 0.00 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.81 2j04 n SER 212 Cb 0.23 0.00 0.75 0.00 -0.26 0.00 0.00 64.21 64.93 2j04 n SER 212 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2j04 h SER 213 N 0.00 0.00 -3.25 4.04 0.87 -2.04 -3.37 113.55 109.80 2j04 h SER 213 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 2j04 h SER 213 Cb 0.00 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.88 2j04 h SER 213 CO 0.00 0.00 0.95 -1.00 -0.53 0.00 0.00 176.83 176.25 2j04 s HIS 214 N -4.66 2.63 -0.74 2.24 4.02 -1.13 -4.96 115.29 112.68 2j04 s HIS 214 Ca -0.04 0.43 -0.26 0.00 1.02 0.00 0.00 55.06 56.20 2j04 s HIS 214 Cb 0.16 -4.49 -0.10 0.00 -1.02 0.00 0.00 32.58 27.13 2j04 s HIS 214 CO 0.57 -1.55 2.30 -0.65 1.02 0.00 0.00 174.74 176.44 2j04 s GLN 215 N 4.86 1.90 0.06 1.40 1.11 -1.26 -4.79 119.66 122.94 2j04 s GLN 215 Ca 0.43 0.54 -0.30 0.00 0.01 0.00 0.00 55.36 56.03 2j04 s GLN 215 Cb -0.08 -4.77 -0.09 0.00 -1.01 0.00 0.00 33.01 27.06 2j04 s GLN 215 CO 0.26 -3.97 1.83 -1.25 0.01 0.00 0.00 175.29 172.17 2j04 s PRO 216 N 8.37 4.15 -0.01 2.91 0.04 -1.26 -4.91 135.00 144.30 2j04 s PRO 216 Ca 0.88 2.51 -0.30 0.00 0.04 0.00 0.00 61.00 64.14 2j04 s PRO 216 Cb -0.13 -3.84 -0.05 0.00 0.04 0.00 0.00 34.50 30.52 2j04 s PRO 216 CO 0.11 -0.86 1.38 0.08 0.04 0.00 0.00 177.00 177.74 2j04 s VAL 217 N 3.48 3.78 0.12 -0.36 1.01 -1.26 -4.95 120.40 122.21 2j04 s VAL 217 Ca 0.82 1.15 0.03 0.00 0.00 0.00 0.00 61.98 63.98 2j04 s VAL 217 Cb -0.42 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2j04 s VAL 217 CO 0.37 -0.00 0.16 -0.94 0.00 0.00 0.00 175.10 174.68 2j04 s SER 218 N 1.85 5.80 -0.02 3.32 1.04 -1.26 -3.90 113.70 120.53 2j04 s SER 218 Ca 0.63 0.02 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2j04 s SER 218 Cb -0.30 -1.62 0.03 0.00 0.10 0.00 0.00 66.02 64.23 2j04 s SER 218 CO 0.26 0.11 0.02 0.00 0.98 0.00 0.00 173.24 174.61 2j04 s ARG 219 N -2.80 0.07 -0.05 4.02 1.70 0.61 -4.98 118.95 117.52 2j04 s ARG 219 Ca 0.32 0.16 -0.30 0.00 -0.47 0.00 0.00 55.73 55.43 2j04 s ARG 219 Cb -0.11 -0.33 -0.03 0.00 -0.57 0.00 0.00 34.95 33.90 2j04 s ARG 219 CO 0.25 -0.16 1.18 1.41 -1.08 0.00 0.00 175.30 176.89 2j04 s MET 220 N 1.08 4.37 0.00 3.89 1.75 -1.26 -0.74 119.30 128.39 2j04 s MET 220 Ca -0.09 1.65 0.14 0.00 -1.25 0.00 0.00 55.69 56.15 2j04 s MET 220 Cb -0.13 -3.53 -0.01 0.00 2.84 0.00 0.00 34.83 33.99 2j04 s MET 220 CO -0.03 -0.41 0.77 0.44 -0.65 0.00 0.00 175.02 175.15 2j04 n ILE 221 N 4.52 0.00 -3.64 10.11 -5.35 0.14 -4.95 119.36 120.19 2j04 n ILE 221 Ca 0.10 -0.34 -0.10 0.00 -0.27 0.00 0.00 62.75 62.14 2j04 n ILE 221 Cb 0.47 1.16 -0.07 0.00 -1.74 0.00 0.00 39.64 39.45 2j04 n ILE 221 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2j04 s GLN 222 N -1.75 0.76 0.91 6.28 0.74 -1.12 -4.94 119.66 120.54 2j04 s GLN 222 Ca 0.11 1.13 -0.11 0.00 0.05 0.00 0.00 55.36 56.54 2j04 s GLN 222 Cb 0.11 0.25 0.12 0.00 1.10 0.00 0.00 33.01 34.59 2j04 s GLN 222 CO 0.37 -0.13 1.00 0.09 -0.55 0.00 0.00 175.29 176.07 2j04 n ASN 223 N 3.66 -0.08 -4.76 6.67 3.02 -1.26 -1.69 115.26 120.81 2j04 n ASN 223 Ca -0.18 0.42 -0.38 0.00 -0.03 0.00 0.00 54.58 54.41 2j04 n ASN 223 Cb 0.57 -1.43 0.01 0.00 -0.61 0.00 0.00 39.78 38.32 2j04 n ASN 223 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j04 s ALA 224 N -2.53 3.05 0.06 5.41 0.00 -1.26 -3.97 121.76 122.52 2j04 s ALA 224 Ca 0.66 1.17 -0.10 0.00 0.00 0.00 0.00 51.96 53.69 2j04 s ALA 224 Cb -0.23 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.41 2j04 s ALA 224 CO 0.59 -0.93 0.21 0.45 0.00 0.00 0.00 175.76 176.09 2j04 s SER 225 N -0.99 0.03 0.43 0.00 0.15 0.14 -4.88 113.70 108.59 2j04 s SER 225 Ca 0.63 -0.42 0.27 0.00 0.70 0.00 0.00 55.95 57.12 2j04 s SER 225 Cb -0.36 0.32 0.77 0.00 -1.71 0.00 0.00 66.02 65.04 2j04 s SER 225 CO 0.44 -0.62 1.76 0.08 1.20 0.00 0.00 173.24 176.10 2j04 h ARG 226 N 3.20 0.00 -6.20 5.44 0.11 -1.96 -3.38 114.38 111.58 2j04 h ARG 226 Ca -0.33 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.22 2j04 h ARG 226 Cb 1.20 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.24 2j04 h ARG 226 CO 0.50 0.00 1.25 1.03 0.10 0.00 0.00 179.97 182.85 2j04 s ARG 227 N -3.35 3.06 0.13 0.08 1.81 -1.26 -4.94 118.95 114.48 2j04 s ARG 227 Ca 0.05 0.84 -0.31 0.00 -1.72 0.00 0.00 55.73 54.59 2j04 s ARG 227 Cb 0.07 -4.25 -0.10 0.00 -0.45 0.00 0.00 34.95 30.23 2j04 s ARG 227 CO 0.60 -2.21 1.61 0.21 -0.68 0.00 0.00 175.30 174.83 2j04 s LYS 228 N 6.13 4.20 -0.27 3.54 2.36 -1.26 -4.85 119.74 129.59 2j04 s LYS 228 Ca 0.67 2.37 -0.29 0.00 -2.55 0.00 0.00 55.97 56.17 2j04 s LYS 228 Cb -0.15 -3.32 -0.00 0.00 -1.05 0.00 0.00 37.83 33.31 2j04 s LYS 228 CO 0.26 -0.66 1.27 0.42 1.55 0.00 0.00 175.35 178.19 2j04 s ILE 229 N 1.70 4.22 -0.05 5.43 1.01 -1.26 -4.22 121.20 128.02 2j04 s ILE 229 Ca 0.72 1.40 -0.19 0.00 0.00 0.00 0.00 60.65 62.58 2j04 s ILE 229 Cb -0.43 -4.15 -0.13 0.00 0.01 0.00 0.00 42.46 37.76 2j04 s ILE 229 CO 0.32 -0.40 0.79 0.74 0.00 0.00 0.00 174.94 176.39 2j04 h THR 230 N 5.83 0.60 -2.65 2.92 2.02 -1.48 -3.48 112.91 116.69 2j04 h THR 230 Ca -0.25 -0.98 -0.11 0.00 0.77 0.00 0.00 66.41 65.84 2j04 h THR 230 Cb 1.09 1.01 -0.23 0.00 -1.74 0.00 0.00 68.15 68.28 2j04 h THR 230 CO 1.02 0.15 -0.18 -0.62 0.37 0.00 0.00 175.52 176.27 2j04 s ASP 231 N -5.33 -0.45 -0.06 4.18 2.15 -1.25 -4.99 116.67 110.93 2j04 s ASP 231 Ca -0.11 0.83 0.00 0.00 0.43 0.00 0.00 52.55 53.70 2j04 s ASP 231 Cb 0.01 0.85 0.02 0.00 -0.30 0.00 0.00 42.92 43.50 2j04 s ASP 231 CO 0.40 -0.21 -0.04 -0.22 -0.17 0.00 0.00 175.17 174.94 2j04 s LEU 232 N 0.02 1.11 0.00 -1.34 2.96 -1.26 -0.85 118.68 119.32 2j04 s LEU 232 Ca -0.02 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 53.81 2j04 s LEU 232 Cb -0.03 -0.50 -0.02 0.00 0.50 0.00 0.00 46.19 46.14 2j04 s LEU 232 CO 0.01 -0.10 0.31 0.29 -1.32 0.00 0.00 176.35 175.55 2j04 n LYS 233 N 4.44 0.45 -3.67 1.98 5.02 -0.76 -4.81 118.16 120.81 2j04 n LYS 233 Ca -0.18 -3.05 -0.14 0.00 -2.02 0.00 0.00 58.31 52.91 2j04 n LYS 233 Cb 0.51 2.59 -0.14 0.00 -0.02 0.00 0.00 35.03 37.97 2j04 n LYS 233 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2j04 s ILE 234 N -3.18 -0.33 -0.19 -0.18 2.07 -1.26 -0.22 121.20 117.91 2j04 s ILE 234 Ca 0.36 0.27 0.01 0.00 -1.41 0.00 0.00 60.65 59.88 2j04 s ILE 234 Cb 0.01 -0.40 0.03 0.00 0.13 0.00 0.00 42.46 42.23 2j04 s ILE 234 CO 0.25 0.11 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.57 2j04 s VAL 235 N 2.21 1.83 -0.13 4.00 1.01 0.32 -4.85 120.40 124.79 2j04 s VAL 235 Ca -0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 2j04 s VAL 235 Cb -0.12 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.47 2j04 s VAL 235 CO -0.08 0.31 0.11 -0.90 0.00 0.00 0.00 175.10 174.53 2j04 n ASP 236 N 4.64 -0.86 -1.55 3.32 5.68 -1.26 -1.02 116.55 125.51 2j04 n ASP 236 Ca -0.17 -0.14 -0.15 0.00 -0.50 0.00 0.00 54.79 53.83 2j04 n ASP 236 Cb 0.48 -0.28 -0.02 0.00 -1.14 0.00 0.00 41.12 40.16 2j04 n ASP 236 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2j04 n TYR 237 N -0.69 -0.53 -4.04 2.11 4.02 -1.26 -4.96 117.16 111.81 2j04 n TYR 237 Ca -0.05 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.59 2j04 n TYR 237 Cb 0.12 -2.98 -0.17 0.00 -0.02 0.00 0.00 39.34 36.30 2j04 n TYR 237 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 2j04 s LYS 238 N -4.38 1.42 -0.11 -0.72 1.02 -0.19 -1.50 119.74 115.28 2j04 s LYS 238 Ca 0.00 -0.24 -0.20 0.00 0.02 0.00 0.00 55.97 55.55 2j04 s LYS 238 Cb 0.00 -1.44 -0.04 0.00 -0.52 0.00 0.00 37.83 35.83 2j04 s LYS 238 CO 0.00 -0.20 0.57 0.08 -0.92 0.00 0.00 175.35 174.88 2j04 s VAL 239 N 1.49 5.12 -0.18 3.17 1.01 0.15 0.12 120.40 131.28 2j04 s VAL 239 Ca 0.00 1.15 0.01 0.00 0.00 0.00 0.00 61.98 63.14 2j04 s VAL 239 Cb -0.13 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.36 2j04 s VAL 239 CO -0.05 0.27 -0.19 -0.69 0.00 0.00 0.00 175.10 174.44 2j04 s VAL 240 N 0.84 2.16 0.02 2.92 1.01 0.69 0.26 120.40 128.30 2j04 s VAL 240 Ca 0.30 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.41 2j04 s VAL 240 Cb -0.16 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2j04 s VAL 240 CO 0.13 0.53 -0.04 -0.76 0.00 0.00 0.00 175.10 174.96 2j04 s LEU 241 N 1.28 3.29 0.27 3.92 1.43 0.45 -1.83 118.68 127.50 2j04 s LEU 241 Ca 0.04 -0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.10 2j04 s LEU 241 Cb -0.13 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 2j04 s LEU 241 CO -0.12 0.26 0.13 0.42 0.23 0.00 0.00 176.35 177.27 2j04 s THR 242 N -1.08 3.92 0.00 5.49 -4.23 -0.03 -0.57 115.64 119.14 2j04 s THR 242 Ca 0.19 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 2j04 s THR 242 Cb -0.11 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.57 2j04 s THR 242 CO 0.10 -0.33 0.00 0.00 -0.54 0.00 0.00 174.62 173.85 2j04 s PRO 244 N 0.56 3.18 0.00 0.00 0.02 -1.26 -4.25 135.00 133.25 2j04 s PRO 244 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 61.00 60.83 2j04 s PRO 244 Cb 0.00 -4.18 0.00 0.00 0.02 0.00 0.00 34.50 30.34 2j04 s PRO 244 CO 0.00 -2.16 0.00 0.41 -0.33 0.00 0.00 177.00 174.92 2j04 n GLY 245 N 5.38 0.84 3.23 0.52 0.00 -1.26 -4.92 105.19 108.98 2j04 n GLY 245 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 2j04 n GLY 245 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j04 s TYR 246 N -3.27 1.23 -0.09 1.61 1.51 -1.26 -0.53 117.35 116.55 2j04 s TYR 246 Ca 0.00 -0.68 0.02 0.00 -1.01 0.00 0.00 57.07 55.40 2j04 s TYR 246 Cb 0.00 -0.64 0.01 0.00 -0.11 0.00 0.00 41.96 41.22 2j04 s TYR 246 CO 0.00 0.07 -0.13 0.08 -1.11 0.00 0.00 175.55 174.46 2j04 s VAL 247 N -2.80 1.28 -0.03 0.71 1.01 -0.22 -0.69 120.40 119.67 2j04 s VAL 247 Ca 0.12 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.60 2j04 s VAL 247 Cb -0.01 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2j04 s VAL 247 CO 0.01 0.39 -0.12 -1.00 0.00 0.00 0.00 175.10 174.38 2j04 s HIS 248 N 0.91 2.75 -0.03 5.22 3.76 0.26 -1.27 115.29 126.89 2j04 s HIS 248 Ca -0.09 -0.13 0.06 0.00 -0.15 0.00 0.00 55.06 54.75 2j04 s HIS 248 Cb -0.15 -1.61 -0.02 0.00 1.11 0.00 0.00 32.58 31.91 2j04 s HIS 248 CO 0.00 0.26 -0.20 -1.59 -0.85 0.00 0.00 174.74 172.36 2j04 s LYS 249 N -1.00 2.30 -0.17 1.40 -2.85 0.14 -0.41 119.74 119.14 2j04 s LYS 249 Ca 0.13 -0.82 -0.00 0.00 -1.00 0.00 0.00 55.97 54.29 2j04 s LYS 249 Cb -0.11 -2.21 0.04 0.00 -2.06 0.00 0.00 37.83 33.49 2j04 s LYS 249 CO 0.03 0.59 -0.07 0.42 0.10 0.00 0.00 175.35 176.42 2j04 s ILE 250 N -0.68 1.26 -0.48 3.79 1.01 0.14 -0.79 121.20 125.45 2j04 s ILE 250 Ca 0.11 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 2j04 s ILE 250 Cb -0.10 -1.38 0.03 0.00 0.01 0.00 0.00 42.46 41.02 2j04 s ILE 250 CO -0.00 0.19 1.20 -0.62 0.00 0.00 0.00 174.94 175.71 2j04 s ASP 251 N 1.57 6.54 0.13 3.58 -1.08 -0.78 0.34 116.67 126.98 2j04 s ASP 251 Ca 0.01 0.47 -0.13 0.00 -0.52 0.00 0.00 52.55 52.38 2j04 s ASP 251 Cb -0.15 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.73 2j04 s ASP 251 CO -0.08 -1.33 1.52 -0.07 0.52 0.00 0.00 175.17 175.73 2j04 h LEU 252 N 11.54 0.81 -1.55 -1.34 3.38 -1.61 0.76 115.31 127.31 2j04 h LEU 252 Ca -0.24 -0.38 0.48 0.00 0.09 0.00 0.00 57.88 57.83 2j04 h LEU 252 Cb 1.07 -0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.48 2j04 h LEU 252 CO 1.13 1.00 0.99 0.50 0.09 0.00 0.00 178.44 182.15 2j04 h LYS 253 N 0.61 0.04 0.00 1.13 3.64 -1.88 -3.09 116.57 117.02 2j04 h LYS 253 Ca 0.10 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2j04 h LYS 253 Cb 0.66 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2j04 h LYS 253 CO 0.05 0.03 0.00 0.27 -2.27 0.00 0.00 179.45 177.52 2j04 n ASN 254 N -4.53 0.00 -2.54 4.20 6.94 -1.22 -5.10 115.26 113.02 2j04 n ASN 254 Ca 0.39 -0.71 -0.03 0.00 -0.02 0.00 0.00 54.58 54.21 2j04 n ASN 254 Cb 1.59 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 39.02 2j04 n ASN 254 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2j04 n TYR 255 N 0.00 -3.11 -3.64 -2.53 4.02 0.26 -5.05 117.16 107.11 2j04 n TYR 255 Ca 0.00 1.33 -0.03 0.00 -0.01 0.00 0.00 57.90 59.19 2j04 n TYR 255 Cb 0.18 -3.59 -0.07 0.00 -0.02 0.00 0.00 39.34 35.84 2j04 n TYR 255 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2j04 s SER 256 N -1.74 -0.45 -0.15 7.72 1.04 -1.12 -4.96 113.70 114.03 2j04 s SER 256 Ca 0.08 0.75 -0.08 0.00 0.48 0.00 0.00 55.95 57.19 2j04 s SER 256 Cb -0.02 1.09 -0.04 0.00 0.10 0.00 0.00 66.02 67.14 2j04 s SER 256 CO 0.64 -0.12 0.13 -0.63 0.98 0.00 0.00 173.24 174.23 2j04 s ILE 257 N 1.05 5.40 -0.03 -1.02 1.01 -1.26 -1.87 121.20 124.48 2j04 s ILE 257 Ca -0.06 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 2j04 s ILE 257 Cb -0.04 -3.40 0.03 0.00 0.01 0.00 0.00 42.46 39.06 2j04 s ILE 257 CO -0.13 0.54 0.06 -0.94 0.00 0.00 0.00 174.94 174.47 2j04 s SER 258 N -0.40 0.09 0.02 3.58 1.04 0.03 -4.99 113.70 113.08 2j04 s SER 258 Ca 0.12 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.65 2j04 s SER 258 Cb -0.12 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.97 2j04 s SER 258 CO 0.01 -0.14 -0.04 -0.94 0.98 0.00 0.00 173.24 173.11 2j04 s SER 259 N 1.17 0.35 0.00 7.02 1.04 -1.26 0.23 113.70 122.25 2j04 s SER 259 Ca -0.08 -0.44 0.04 0.00 0.48 0.00 0.00 55.95 55.95 2j04 s SER 259 Cb -0.13 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 2j04 s SER 259 CO -0.04 -0.24 -0.13 -0.22 0.98 0.00 0.00 173.24 173.60 2j04 s LEU 260 N -1.28 2.06 1.16 2.42 2.96 -0.39 -4.98 118.68 120.63 2j04 s LEU 260 Ca -0.12 -0.28 -0.14 0.00 -0.22 0.00 0.00 54.13 53.36 2j04 s LEU 260 Cb -0.09 -0.64 0.27 0.00 0.50 0.00 0.00 46.19 46.24 2j04 s LEU 260 CO -0.01 0.12 1.04 -0.54 -1.32 0.00 0.00 176.35 175.65 2j04 s LYS 261 N -0.50 -0.85 0.00 1.98 1.02 -1.26 -1.05 119.74 119.07 2j04 s LYS 261 Ca 0.04 0.61 0.00 0.00 0.02 0.00 0.00 55.97 56.64 2j04 s LYS 261 Cb -0.06 -1.58 0.00 0.00 -0.52 0.00 0.00 37.83 35.67 2j04 s LYS 261 CO -0.00 -3.62 0.00 2.41 -0.92 0.00 0.00 175.35 173.22 2j04 n THR 262 N -4.81 0.00 0.00 2.17 -1.04 0.31 -4.73 114.28 106.18 2j04 n THR 262 Ca 0.04 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2j04 n THR 262 Cb 0.56 0.64 0.00 0.00 -1.82 0.00 0.00 70.33 69.71 2j04 n THR 262 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2j04 n GLY 263 N 0.66 0.87 0.38 3.41 0.00 -1.26 -4.63 105.19 104.61 2j04 n GLY 263 Ca 0.00 -0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 2j04 n GLY 263 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2j04 h SER 264 N 0.00 0.59 0.00 1.61 0.87 -1.96 -3.45 113.55 111.21 2j04 h SER 264 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2j04 h SER 264 Cb 0.00 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2j04 h SER 264 CO 0.00 0.22 0.00 -0.11 -0.53 0.00 0.00 176.83 176.41 2j04 n LEU 265 N -4.63 0.41 -4.55 2.23 7.94 -1.26 -4.83 117.00 112.31 2j04 n LEU 265 Ca 0.22 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.71 2j04 n LEU 265 Cb 0.65 -0.84 -0.10 0.00 0.53 0.00 0.00 43.42 43.67 2j04 n LEU 265 CO 0.26 -0.20 -0.01 -0.70 -1.11 0.00 0.00 177.39 175.63 2j04 s GLU 266 N -0.41 3.65 0.21 1.96 2.12 -1.26 -4.35 118.70 120.62 2j04 s GLU 266 Ca 0.00 -0.38 -0.25 0.00 0.36 0.00 0.00 54.97 54.70 2j04 s GLU 266 Cb 0.00 -3.77 -0.16 0.00 0.26 0.00 0.00 34.13 30.46 2j04 s GLU 266 CO 0.00 -0.45 0.42 0.27 -0.54 0.00 0.00 175.26 174.96 2j04 n ASN 267 N 5.30 -1.40 -3.53 -1.70 6.94 -1.26 -4.81 115.26 114.81 2j04 n ASN 267 Ca -0.10 1.00 -0.17 0.00 -0.02 0.00 0.00 54.58 55.28 2j04 n ASN 267 Cb 0.50 -0.87 -0.06 0.00 -2.36 0.00 0.00 39.78 36.99 2j04 n ASN 267 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 2j04 s PHE 268 N -1.02 -0.64 0.50 -2.53 -0.12 -1.26 -4.84 117.98 108.06 2j04 s PHE 268 Ca 0.58 1.12 -0.13 0.00 -0.05 0.00 0.00 56.93 58.45 2j04 s PHE 268 Cb -0.82 0.41 -0.07 0.00 -0.63 0.00 0.00 43.02 41.92 2j04 s PHE 268 CO 0.53 -0.58 0.91 -1.01 -0.05 0.00 0.00 175.22 175.02 2j04 s HIS 269 N -1.13 3.49 -0.16 3.49 3.76 -0.96 -4.72 115.29 119.06 2j04 s HIS 269 Ca -0.10 1.27 -0.05 0.00 -0.15 0.00 0.00 55.06 56.02 2j04 s HIS 269 Cb -0.00 -2.64 -0.03 0.00 1.11 0.00 0.00 32.58 31.01 2j04 s HIS 269 CO 0.09 -0.33 0.02 0.96 -0.85 0.00 0.00 174.74 174.62 2j04 s ILE 270 N -2.64 4.38 -0.30 0.60 -4.36 -1.26 -2.03 121.20 115.59 2j04 s ILE 270 Ca 0.55 -0.19 -0.01 0.00 -0.26 0.00 0.00 60.65 60.74 2j04 s ILE 270 Cb -0.10 -2.94 0.05 0.00 1.25 0.00 0.00 42.46 40.72 2j04 s ILE 270 CO 0.36 0.49 -0.01 -0.63 0.24 0.00 0.00 174.94 175.39 2j04 s ILE 271 N 0.24 2.92 0.20 8.37 1.01 0.08 -4.96 121.20 129.06 2j04 s ILE 271 Ca 0.01 -1.42 -0.30 0.00 0.00 0.00 0.00 60.65 58.94 2j04 s ILE 271 Cb -0.13 -2.69 -0.09 0.00 0.01 0.00 0.00 42.46 39.56 2j04 s ILE 271 CO 0.01 -0.11 1.33 -2.16 0.00 0.00 0.00 174.94 174.02 2j04 s PRO 272 N 1.24 4.37 -0.95 2.79 0.04 -1.26 0.20 135.00 141.42 2j04 s PRO 272 Ca -0.05 2.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 2j04 s PRO 272 Cb -0.20 -3.19 0.24 0.00 0.04 0.00 0.00 34.50 31.40 2j04 s PRO 272 CO -0.01 -0.29 0.91 -0.51 0.04 0.00 0.00 177.00 177.14 2j04 s LEU 273 N -0.06 6.48 0.43 -3.56 1.43 -0.58 -4.91 118.68 117.91 2j04 s LEU 273 Ca 0.58 -3.15 0.29 0.00 -1.03 0.00 0.00 54.13 50.81 2j04 s LEU 273 Cb -0.37 -2.19 1.02 0.00 0.03 0.00 0.00 46.19 44.68 2j04 s LEU 273 CO 0.38 -0.42 1.83 0.78 0.23 0.00 0.00 176.35 179.15 2j04 h ASN 274 N 7.18 0.00 -0.65 2.29 2.35 -1.86 -3.22 115.58 121.65 2j04 h ASN 274 Ca 0.14 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.50 2j04 h ASN 274 Cb 0.95 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.13 2j04 h ASN 274 CO 0.87 0.00 0.50 1.41 -1.65 0.00 0.00 177.43 178.56 2j04 n HIS 275 N -2.83 2.07 -0.03 1.19 8.25 -1.26 -4.47 115.22 118.14 2j04 n HIS 275 Ca 0.02 -1.85 0.06 0.00 -0.26 0.00 0.00 57.72 55.69 2j04 n HIS 275 Cb 0.35 -0.91 -0.17 0.00 1.12 0.00 0.00 29.99 30.38 2j04 n HIS 275 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2j04 n GLU 276 N -0.33 0.67 -4.03 -0.41 -0.58 -1.22 -4.97 120.64 109.77 2j04 n GLU 276 Ca 0.40 -0.15 -0.43 0.00 -0.42 0.00 0.00 57.16 56.56 2j04 n GLU 276 Cb 0.94 -1.52 0.02 0.00 -0.57 0.00 0.00 31.44 30.31 2j04 n GLU 276 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2j04 n LYS 277 N -2.38 -0.51 -0.00 3.49 3.00 -1.26 -4.76 118.16 115.73 2j04 n LYS 277 Ca -0.11 0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 2j04 n LYS 277 Cb 0.72 -2.89 0.00 0.00 0.00 0.00 0.00 35.03 32.85 2j04 n LYS 277 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2j04 n GLU 278 N -4.88 0.00 -3.94 1.64 -0.58 -1.26 -5.06 120.64 106.56 2j04 n GLU 278 Ca -0.12 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.26 2j04 n GLU 278 Cb 0.58 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.46 2j04 n GLU 278 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2j04 n SER 279 N 0.00 -4.45 -4.49 1.62 7.64 -1.26 -4.46 113.62 108.21 2j04 n SER 279 Ca 0.00 -1.14 -0.30 0.00 1.01 0.00 0.00 58.87 58.44 2j04 n SER 279 Cb 0.03 -1.58 -0.12 0.00 -1.01 0.00 0.00 64.21 61.53 2j04 n SER 279 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2j04 s THR 280 N -3.23 2.94 0.24 0.44 2.01 -1.26 -0.60 115.64 116.18 2j04 s THR 280 Ca 0.23 -1.28 0.02 0.00 0.31 0.00 0.00 61.69 60.96 2j04 s THR 280 Cb -0.13 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.03 2j04 s THR 280 CO 0.93 0.23 0.07 0.27 -0.69 0.00 0.00 174.62 175.43 2j04 s ILE 281 N -1.04 0.63 -0.26 1.82 -4.36 -0.79 -1.53 121.20 115.66 2j04 s ILE 281 Ca 0.17 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.56 2j04 s ILE 281 Cb -0.11 -2.53 0.07 0.00 1.25 0.00 0.00 42.46 41.15 2j04 s ILE 281 CO 0.08 -0.11 0.00 -0.22 0.24 0.00 0.00 174.94 174.94 2j04 s LEU 282 N -3.29 2.62 0.13 0.37 2.96 0.13 -1.11 118.68 120.49 2j04 s LEU 282 Ca 0.35 -1.36 -0.30 0.00 -0.22 0.00 0.00 54.13 52.59 2j04 s LEU 282 Cb 0.07 -1.10 -0.06 0.00 0.50 0.00 0.00 46.19 45.60 2j04 s LEU 282 CO 0.12 -0.30 0.97 -0.76 -1.32 0.00 0.00 176.35 175.05 2j04 s LEU 283 N 1.44 4.52 -0.19 -0.68 1.43 -0.54 -0.74 118.68 123.92 2j04 s LEU 283 Ca 0.00 1.83 -0.09 0.00 -1.03 0.00 0.00 54.13 54.84 2j04 s LEU 283 Cb -0.18 -3.59 0.07 0.00 0.03 0.00 0.00 46.19 42.51 2j04 s LEU 283 CO -0.11 -0.04 0.44 -0.32 0.23 0.00 0.00 176.35 176.55 2j04 s MET 284 N -0.18 0.41 0.44 1.70 1.75 -0.86 -0.60 119.30 121.95 2j04 s MET 284 Ca 0.46 0.88 0.01 0.00 -1.25 0.00 0.00 55.69 55.79 2j04 s MET 284 Cb -0.24 0.06 -0.00 0.00 2.84 0.00 0.00 34.83 37.49 2j04 s MET 284 CO 0.30 -0.17 0.03 -1.13 -0.65 0.00 0.00 175.02 173.40 2j04 n SER 285 N 4.48 2.77 0.06 1.11 3.41 -0.13 -2.27 113.62 123.04 2j04 n SER 285 Ca -0.20 -3.03 -0.13 0.00 -0.26 0.00 0.00 58.87 55.25 2j04 n SER 285 Cb 0.54 0.48 -0.08 0.00 -0.26 0.00 0.00 64.21 64.90 2j04 n SER 285 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2j04 h ASN 286 N 1.21 -0.06 0.47 4.04 2.35 -1.88 -3.37 115.58 118.33 2j04 h ASN 286 Ca -0.36 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.27 2j04 h ASN 286 Cb 1.15 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.55 2j04 h ASN 286 CO 0.60 0.06 -0.23 0.11 -1.65 0.00 0.00 177.43 176.32 2j04 h LYS 287 N -0.18 -0.61 0.00 0.81 6.56 -1.97 -3.43 116.57 117.74 2j04 h LYS 287 Ca -0.01 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 2j04 h LYS 287 Cb 0.16 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 31.96 2j04 h LYS 287 CO 0.01 -0.41 0.00 0.25 -2.06 0.00 0.00 179.45 177.25 2j04 n THR 288 N -4.48 0.00 -3.64 -0.16 -2.24 -1.26 -5.05 114.28 97.46 2j04 n THR 288 Ca -0.08 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.68 2j04 n THR 288 Cb 0.25 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 2j04 n THR 288 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2j04 s SER 289 N 0.77 -0.04 0.09 3.42 1.04 -1.26 -0.96 113.70 116.76 2j04 s SER 289 Ca 0.00 0.01 -0.27 0.00 0.48 0.00 0.00 55.95 56.17 2j04 s SER 289 Cb 0.00 0.04 0.09 0.00 0.10 0.00 0.00 66.02 66.25 2j04 s SER 289 CO 0.00 -0.06 1.10 -0.72 0.98 0.00 0.00 173.24 174.54 2j04 s TYR 290 N -1.93 -0.07 0.22 5.02 -0.85 0.23 -4.85 117.35 115.12 2j04 s TYR 290 Ca 0.11 -0.17 -0.25 0.00 -0.52 0.00 0.00 57.07 56.24 2j04 s TYR 290 Cb -0.01 0.61 -0.09 0.00 0.38 0.00 0.00 41.96 42.85 2j04 s TYR 290 CO -0.04 -0.61 0.82 0.15 -1.52 0.00 0.00 175.55 174.35 2j04 s LYS 291 N -2.78 4.54 -0.13 -3.49 1.02 0.55 -1.47 119.74 117.98 2j04 s LYS 291 Ca 0.15 1.17 -0.01 0.00 0.02 0.00 0.00 55.97 57.30 2j04 s LYS 291 Cb 0.01 -3.09 0.03 0.00 -0.52 0.00 0.00 37.83 34.26 2j04 s LYS 291 CO 0.00 0.47 -0.05 0.08 -0.92 0.00 0.00 175.35 174.93 2j04 s VAL 292 N -1.33 0.95 0.24 3.17 1.01 -0.26 -1.99 120.40 122.18 2j04 s VAL 292 Ca 0.41 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 2j04 s VAL 292 Cb -0.21 -1.06 -0.09 0.00 0.00 0.00 0.00 36.38 35.02 2j04 s VAL 292 CO 0.25 0.24 1.02 -0.76 0.00 0.00 0.00 175.10 175.86 2j04 s LEU 293 N 1.72 4.58 -0.69 3.92 1.43 -0.24 -1.88 118.68 127.53 2j04 s LEU 293 Ca 0.03 2.08 -0.02 0.00 -1.03 0.00 0.00 54.13 55.19 2j04 s LEU 293 Cb -0.14 -3.61 0.44 0.00 0.03 0.00 0.00 46.19 42.91 2j04 s LEU 293 CO -0.08 -0.03 2.02 0.18 0.23 0.00 0.00 176.35 178.68 2j04 n LEU 294 N 1.60 7.64 0.00 1.79 4.77 0.23 -2.93 117.00 130.10 2j04 n LEU 294 Ca -0.01 -4.37 -0.07 0.00 -0.03 0.00 0.00 56.01 51.53 2j04 n LEU 294 Cb 0.46 -0.98 0.06 0.00 -2.33 0.00 0.00 43.42 40.64 2j04 n LEU 294 CO 0.52 1.52 0.16 1.21 -1.33 0.00 0.00 177.39 179.47 2j04 n GLU 295 N -0.87 -1.49 0.04 3.23 2.13 -1.26 -4.94 120.64 117.48 2j04 n GLU 295 Ca 0.61 -0.44 -0.11 0.00 0.66 0.00 0.00 57.16 57.88 2j04 n GLU 295 Cb 0.61 -0.41 -0.05 0.00 0.27 0.00 0.00 31.44 31.86 2j04 n GLU 295 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2j04 h ASP 296 N -1.39 -0.23 -3.26 4.31 3.45 -2.02 -3.37 116.42 113.91 2j04 h ASP 296 Ca -0.10 0.04 -0.55 0.00 0.43 0.00 0.00 57.03 56.85 2j04 h ASP 296 Cb 0.31 0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.17 2j04 h ASP 296 CO 0.07 -0.11 0.53 -1.61 -1.57 0.00 0.00 179.24 176.54 2j04 s GLU 297 N -6.17 4.45 0.36 3.56 0.41 -1.26 -4.77 118.70 115.29 2j04 s GLU 297 Ca -0.14 1.54 -0.27 0.00 -0.41 0.00 0.00 54.97 55.70 2j04 s GLU 297 Cb 0.08 -3.48 -0.09 0.00 -1.78 0.00 0.00 34.13 28.86 2j04 s GLU 297 CO 0.67 -0.24 1.17 -0.51 -0.49 0.00 0.00 175.26 175.85 2j04 s LEU 298 N 1.52 4.31 -0.06 1.80 1.43 -1.26 -4.73 118.68 121.68 2j04 s LEU 298 Ca 0.53 2.37 0.02 0.00 -1.03 0.00 0.00 54.13 56.02 2j04 s LEU 298 Cb -0.23 -3.89 0.01 0.00 0.03 0.00 0.00 46.19 42.12 2j04 s LEU 298 CO 0.25 -0.53 -0.11 -1.00 0.23 0.00 0.00 176.35 175.19 2j04 s HIS 299 N -1.33 1.34 -0.33 0.29 3.76 -1.15 -4.95 115.29 112.92 2j04 s HIS 299 Ca 0.53 -0.48 -0.16 0.00 -0.15 0.00 0.00 55.06 54.80 2j04 s HIS 299 Cb -0.32 -1.00 -0.02 0.00 1.11 0.00 0.00 32.58 32.35 2j04 s HIS 299 CO 0.41 -0.27 0.39 0.08 -0.85 0.00 0.00 174.74 174.50 2j04 s VAL 300 N 0.72 5.14 0.15 -0.90 1.01 -1.26 -1.08 120.40 124.18 2j04 s VAL 300 Ca -0.14 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.13 2j04 s VAL 300 Cb -0.16 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2j04 s VAL 300 CO 0.03 -0.06 -0.05 0.28 0.00 0.00 0.00 175.10 175.30 2j04 s THR 301 N 2.10 3.55 -0.02 3.92 -1.32 -0.84 -5.00 115.64 118.01 2j04 s THR 301 Ca 0.14 -1.39 -0.00 0.00 -1.21 0.00 0.00 61.69 59.23 2j04 s THR 301 Cb -0.16 -2.74 -0.00 0.00 -1.51 0.00 0.00 72.50 68.09 2j04 s THR 301 CO 0.12 -0.03 -0.01 0.00 -2.21 0.00 0.00 174.62 172.49 2j04 h ALA 302 N 3.06 0.00 0.00 11.08 0.00 -1.94 0.16 119.26 131.63 2j04 h ALA 302 Ca -0.48 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2j04 h ALA 302 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2j04 h ALA 302 CO 0.56 0.02 0.00 -3.47 0.00 0.00 0.00 179.25 176.36 2j04 n ASP 303 N -2.57 0.00 0.00 0.00 -0.08 -1.26 -2.98 116.55 109.66 2j04 n ASP 303 Ca -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2j04 n ASP 303 Cb 0.01 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.47 2j04 n ASP 303 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2j04 n ASN 304 N 0.00 0.00 0.00 1.67 2.85 -1.26 -4.49 115.26 114.03 2j04 n ASN 304 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2j04 n ASN 304 Cb 0.00 -0.06 0.00 0.00 1.24 0.00 0.00 39.78 40.96 2j04 n ASN 304 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2j04 n ILE 305 N -1.01 0.00 -0.08 -1.44 -5.35 -1.26 -3.94 119.36 106.28 2j04 n ILE 305 Ca 0.00 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.33 2j04 n ILE 305 Cb 0.00 -0.05 -0.05 0.00 -1.74 0.00 0.00 39.64 37.81 2j04 n ILE 305 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2j04 n ILE 306 N 0.03 1.19 -0.16 7.28 5.41 -1.26 -4.72 119.36 127.13 2j04 n ILE 306 Ca 0.00 -0.07 0.07 0.00 1.00 0.00 0.00 62.75 63.76 2j04 n ILE 306 Cb 0.00 -1.90 0.38 0.00 -0.71 0.00 0.00 39.64 37.42 2j04 n ILE 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2j04 h ALA 307 N -0.68 1.76 -0.53 -1.39 0.00 -1.80 0.60 119.26 117.22 2j04 h ALA 307 Ca -0.29 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.67 2j04 h ALA 307 Cb 1.13 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 2j04 h ALA 307 CO -0.18 0.12 -0.50 -1.00 0.00 0.00 0.00 179.25 177.70 2j04 h PRO 308 N 0.68 -0.28 -0.00 0.00 0.13 -1.87 -1.37 132.00 129.30 2j04 h PRO 308 Ca 0.30 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 2j04 h PRO 308 Cb 0.31 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.50 2j04 h PRO 308 CO -0.10 -0.18 -0.01 1.88 -0.23 0.00 0.00 178.00 179.36 2j04 h TYR 309 N -0.29 -0.02 -0.08 1.56 0.99 -0.19 -2.86 116.97 116.09 2j04 h TYR 309 Ca 0.13 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.87 2j04 h TYR 309 Cb 0.57 0.01 -0.01 0.00 1.00 0.00 0.00 36.73 38.30 2j04 h TYR 309 CO -0.74 -0.01 0.02 -0.07 -0.00 0.00 0.00 178.16 177.36 2j04 h LEU 310 N -0.01 0.02 -0.77 3.88 3.38 -0.65 -1.92 115.31 119.24 2j04 h LEU 310 Ca 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2j04 h LEU 310 Cb 0.02 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2j04 h LEU 310 CO -0.01 0.03 -0.16 -0.08 0.09 0.00 0.00 178.44 178.31 2j04 h GLU 311 N 0.06 0.00 0.56 1.13 4.22 -1.36 0.33 114.58 119.52 2j04 h GLU 311 Ca 0.03 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.45 2j04 h GLU 311 Cb 0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.27 2j04 h GLU 311 CO -0.04 0.16 -0.27 -0.22 -2.18 0.00 0.00 179.01 176.46 2j04 h LYS 312 N 0.00 -0.72 -0.23 1.92 1.63 -1.20 0.30 116.57 118.28 2j04 h LYS 312 Ca -0.00 0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 2j04 h LYS 312 Cb 0.84 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.62 2j04 h LYS 312 CO 0.02 -0.47 0.12 -0.22 -3.45 0.00 0.00 179.45 175.46 2j04 h LYS 313 N -0.79 0.25 0.00 1.90 1.63 -0.99 -1.77 116.57 116.81 2j04 h LYS 313 Ca -0.08 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.68 2j04 h LYS 313 Cb 0.59 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.16 2j04 h LYS 313 CO 0.13 0.17 -0.13 0.35 -3.45 0.00 0.00 179.45 176.51 2j04 h PHE 314 N 0.26 0.00 0.08 1.91 3.57 -0.32 -1.90 116.94 120.55 2j04 h PHE 314 Ca 0.09 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.33 2j04 h PHE 314 Cb 0.00 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.75 2j04 h PHE 314 CO -0.08 0.13 -1.13 -0.22 -2.23 0.00 0.00 178.31 174.78 2j04 h LYS 315 N 0.00 0.36 -0.81 1.11 3.64 -0.02 -3.28 116.57 117.57 2j04 h LYS 315 Ca -0.00 -0.50 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 2j04 h LYS 315 Cb 0.29 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 2j04 h LYS 315 CO 0.02 1.19 0.49 -0.22 -2.27 0.00 0.00 179.45 178.66 2j04 h LYS 316 N 0.15 1.11 0.00 1.90 3.64 -0.71 0.24 116.57 122.90 2j04 h LYS 316 Ca -0.12 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2j04 h LYS 316 Cb 1.81 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 2j04 h LYS 316 CO 0.19 0.78 0.00 1.87 -2.27 0.00 0.00 179.45 180.03 2j04 n TRP 317 N -4.45 0.00 1.37 1.91 -0.00 -0.77 -2.18 117.44 113.32 2j04 n TRP 317 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.59 2j04 n TRP 317 Cb 0.06 -0.29 0.03 0.00 -0.00 0.00 0.00 31.31 31.11 2j04 n TRP 317 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2j04 n SER 318 N -1.29 0.00 -4.01 5.87 2.88 0.84 -3.93 113.62 113.98 2j04 n SER 318 Ca 0.00 -1.35 -0.32 0.00 -1.33 0.00 0.00 58.87 55.88 2j04 n SER 318 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 2j04 n SER 318 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2j04 s THR 319 N -2.00 2.57 0.00 2.46 -4.23 -0.93 -0.81 115.64 112.70 2j04 s THR 319 Ca 0.01 -2.68 0.00 0.00 -1.18 0.00 0.00 61.69 57.84 2j04 s THR 319 Cb 0.01 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 71.02 2j04 s THR 319 CO 0.01 -0.69 0.00 0.00 -0.54 0.00 0.00 174.62 173.40 2j04 n ILE 320 N 3.86 0.00 0.00 2.99 3.06 -1.25 -4.81 119.36 123.21 2j04 n ILE 320 Ca 0.04 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.29 2j04 n ILE 320 Cb 0.38 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.56 2j04 n ILE 320 CO 0.00 0.00 0.00 1.87 -2.50 0.00 0.00 176.55 175.92 2j04 n TRP 321 N 0.00 0.00 0.00 9.51 -0.00 -1.26 -5.08 117.44 120.61 2j04 n TRP 321 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2j04 n TRP 321 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 2j04 n TRP 321 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 2j04 n ASN 322 N 0.00 0.00 -0.92 5.87 6.94 -0.50 -4.32 115.26 122.33 2j04 n ASN 322 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2j04 n ASN 322 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2j04 n ASN 322 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2j04 n GLU 323 N 0.00 0.00 0.00 -3.83 0.00 0.01 -4.97 120.64 111.84 2j04 n GLU 323 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2j04 n GLU 323 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 31.44 31.13 2j04 n GLU 323 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2j04 n PHE 324 N 0.59 0.00 0.20 4.31 3.01 -1.26 -4.83 117.46 119.48 2j04 n PHE 324 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.48 2j04 n PHE 324 Cb 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 39.48 39.64 2j04 n PHE 324 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2j04 n ASN 325 N 0.00 3.00 0.00 4.37 5.03 -1.26 -4.37 115.26 122.03 2j04 n ASN 325 Ca 0.00 -2.40 0.00 0.00 0.87 0.00 0.00 54.58 53.05 2j04 n ASN 325 Cb 0.00 -0.58 0.00 0.00 -1.02 0.00 0.00 39.78 38.18 2j04 n ASN 325 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2j04 n ASN 326 N 0.24 0.00 -2.23 6.41 3.02 -1.26 -4.47 115.26 116.97 2j04 n ASN 326 Ca 0.12 0.28 -0.10 0.00 -0.03 0.00 0.00 54.58 54.85 2j04 n ASN 326 Cb 0.66 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.53 2j04 n ASN 326 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2j04 n TYR 327 N -1.28 -0.86 -3.70 3.10 4.02 -1.26 -5.08 117.16 112.10 2j04 n TYR 327 Ca 0.00 -1.49 -0.30 0.00 -0.01 0.00 0.00 57.90 56.11 2j04 n TYR 327 Cb 0.22 0.28 -0.14 0.00 -0.02 0.00 0.00 39.34 39.68 2j04 n TYR 327 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2j04 s GLU 328 N -2.58 0.95 0.02 -0.72 2.56 -1.26 -4.94 118.70 112.73 2j04 s GLU 328 Ca 0.19 -1.51 0.00 0.00 0.00 0.00 0.00 54.97 53.66 2j04 s GLU 328 Cb -0.00 -2.08 -0.04 0.00 2.00 0.00 0.00 34.13 34.01 2j04 s GLU 328 CO 0.14 -1.08 0.11 0.95 -0.56 0.00 0.00 175.26 174.81 2j04 s THR 329 N 1.01 4.86 -0.09 -1.70 -4.23 -1.26 -2.46 115.64 111.78 2j04 s THR 329 Ca 0.14 -0.45 -0.08 0.00 -1.18 0.00 0.00 61.69 60.12 2j04 s THR 329 Cb -0.21 -3.27 0.03 0.00 1.34 0.00 0.00 72.50 70.38 2j04 s THR 329 CO -0.11 0.27 0.24 0.28 -0.54 0.00 0.00 174.62 174.75 2j04 s THR 330 N -1.29 -0.01 -0.06 3.99 -1.32 -1.05 -4.99 115.64 110.90 2j04 s THR 330 Ca 0.26 0.03 -0.27 0.00 -1.21 0.00 0.00 61.69 60.50 2j04 s THR 330 Cb -0.12 -0.34 -0.03 0.00 -1.51 0.00 0.00 72.50 70.50 2j04 s THR 330 CO 0.18 0.01 0.86 -0.22 -2.21 0.00 0.00 174.62 173.24 2j04 s LEU 331 N 0.32 4.31 -0.18 9.08 2.96 -1.26 -3.20 118.68 130.71 2j04 s LEU 331 Ca -0.02 1.40 -0.05 0.00 -0.22 0.00 0.00 54.13 55.25 2j04 s LEU 331 Cb -0.03 -3.35 -0.03 0.00 0.50 0.00 0.00 46.19 43.28 2j04 s LEU 331 CO -0.01 -0.25 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.07 2j04 s VAL 332 N 1.24 4.12 -0.26 1.68 1.01 -0.03 -4.67 120.40 123.48 2j04 s VAL 332 Ca 0.44 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 2j04 s VAL 332 Cb -0.19 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 2j04 s VAL 332 CO 0.21 0.46 0.16 -0.63 0.00 0.00 0.00 175.10 175.30 2j04 s ILE 333 N 0.60 5.17 -1.42 2.22 1.01 -1.26 -0.64 121.20 126.88 2j04 s ILE 333 Ca -0.01 0.12 0.22 0.00 0.00 0.00 0.00 60.65 60.98 2j04 s ILE 333 Cb -0.14 -3.44 -0.14 0.00 0.01 0.00 0.00 42.46 38.75 2j04 s ILE 333 CO 0.02 0.29 0.97 1.41 0.00 0.00 0.00 174.94 177.63 2j04 n HIS 334 N 4.83 0.00 0.00 3.97 8.25 -0.48 -4.82 115.22 126.98 2j04 n HIS 334 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2j04 n HIS 334 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2j04 n HIS 334 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2j04 n GLY 335 N 1.46 2.02 2.94 -1.41 0.00 -1.18 -2.81 105.19 106.21 2j04 n GLY 335 Ca 0.06 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 2j04 n GLY 335 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j04 s ILE 336 N -1.57 0.41 -0.16 -0.61 1.01 -1.26 -0.49 121.20 118.53 2j04 s ILE 336 Ca 0.00 -0.18 -0.18 0.00 0.00 0.00 0.00 60.65 60.30 2j04 s ILE 336 Cb 0.00 -0.37 0.05 0.00 0.01 0.00 0.00 42.46 42.14 2j04 s ILE 336 CO 0.00 0.14 0.48 -0.55 0.00 0.00 0.00 174.94 175.01 2j04 s SER 337 N 0.14 -0.48 0.54 3.58 0.15 -0.69 -4.69 113.70 112.25 2j04 s SER 337 Ca -0.01 0.88 -0.17 0.00 0.70 0.00 0.00 55.95 57.35 2j04 s SER 337 Cb -0.05 0.90 -0.06 0.00 -1.71 0.00 0.00 66.02 65.10 2j04 s SER 337 CO -0.00 -0.22 1.02 -0.76 1.20 0.00 0.00 173.24 174.47 2j04 s LEU 338 N 0.01 3.60 0.71 3.45 1.43 -1.26 -0.94 118.68 125.68 2j04 s LEU 338 Ca -0.02 1.70 -0.16 0.00 -1.03 0.00 0.00 54.13 54.62 2j04 s LEU 338 Cb -0.03 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 2j04 s LEU 338 CO 0.02 -0.84 0.57 -1.20 0.23 0.00 0.00 176.35 175.13 2j04 n SER 339 N -1.70 -1.03 -0.37 2.29 7.64 -0.49 -4.44 113.62 115.52 2j04 n SER 339 Ca 0.08 0.61 0.02 0.00 1.01 0.00 0.00 58.87 60.58 2j04 n SER 339 Cb 0.53 -1.23 0.16 0.00 -1.01 0.00 0.00 64.21 62.66 2j04 n SER 339 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2j04 h PRO 340 N -0.33 1.16 0.00 1.43 0.11 -1.83 0.21 132.00 132.74 2j04 h PRO 340 Ca -0.46 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2j04 h PRO 340 Cb 1.35 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2j04 h PRO 340 CO 0.43 0.77 0.00 -0.40 -0.21 0.00 0.00 178.00 178.59 2j04 n ASP 341 N -4.49 0.00 -0.21 -2.05 5.68 -1.26 -4.70 116.55 109.52 2j04 n ASP 341 Ca 0.15 0.42 -0.03 0.00 -0.50 0.00 0.00 54.79 54.83 2j04 n ASP 341 Cb 0.15 -0.47 -0.01 0.00 -1.14 0.00 0.00 41.12 39.65 2j04 n ASP 341 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2j04 n GLY 342 N 1.17 0.60 0.05 6.12 0.00 0.72 -4.93 105.19 108.93 2j04 n GLY 342 Ca 0.07 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.66 2j04 n GLY 342 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2j04 n TYR 343 N -2.84 0.41 -4.38 1.61 4.02 -1.26 -4.79 117.16 109.93 2j04 n TYR 343 Ca -0.03 0.12 -0.19 0.00 -0.01 0.00 0.00 57.90 57.79 2j04 n TYR 343 Cb 0.13 -0.62 -0.10 0.00 -0.02 0.00 0.00 39.34 38.72 2j04 n TYR 343 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 2j04 s SER 344 N -4.58 2.09 -0.01 7.72 0.01 -1.26 -1.73 113.70 115.95 2j04 s SER 344 Ca -0.02 -1.27 0.05 0.00 1.31 0.00 0.00 55.95 56.01 2j04 s SER 344 Cb 0.13 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 2j04 s SER 344 CO 0.84 -0.53 -0.15 -0.51 0.41 0.00 0.00 173.24 173.30 2j04 s ILE 345 N -3.34 1.15 -0.15 1.44 2.07 0.97 -1.40 121.20 121.94 2j04 s ILE 345 Ca 0.32 -0.65 -0.03 0.00 -1.41 0.00 0.00 60.65 58.89 2j04 s ILE 345 Cb 0.06 -0.96 -0.02 0.00 0.13 0.00 0.00 42.46 41.67 2j04 s ILE 345 CO 0.12 0.31 -0.07 0.00 -1.91 0.00 0.00 174.94 173.39 2j04 s ALA 346 N -0.37 2.86 -0.13 1.50 0.00 -0.12 -0.53 121.76 124.97 2j04 s ALA 346 Ca 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2j04 s ALA 346 Cb -0.06 -1.46 0.02 0.00 0.00 0.00 0.00 23.12 21.63 2j04 s ALA 346 CO -0.00 0.17 -0.11 0.42 0.00 0.00 0.00 175.76 176.23 2j04 s ILE 347 N 0.46 1.34 -0.10 0.00 1.01 0.44 -1.71 121.20 122.64 2j04 s ILE 347 Ca -0.06 -0.49 -0.25 0.00 0.00 0.00 0.00 60.65 59.86 2j04 s ILE 347 Cb -0.15 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 2j04 s ILE 347 CO 0.03 0.42 0.78 -0.69 0.00 0.00 0.00 174.94 175.48 2j04 s VAL 348 N 1.58 4.97 0.21 2.92 1.01 0.36 -0.33 120.40 131.11 2j04 s VAL 348 Ca 0.05 1.57 -0.11 0.00 0.00 0.00 0.00 61.98 63.49 2j04 s VAL 348 Cb -0.13 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 2j04 s VAL 348 CO -0.10 0.15 0.39 -0.72 0.00 0.00 0.00 175.10 174.82 2j04 s TYR 349 N 1.37 0.41 0.05 5.22 -0.85 -0.04 -1.38 117.35 122.13 2j04 s TYR 349 Ca 0.39 -0.75 -0.06 0.00 -0.52 0.00 0.00 57.07 56.13 2j04 s TYR 349 Cb -0.18 0.05 -0.01 0.00 0.38 0.00 0.00 41.96 42.21 2j04 s TYR 349 CO 0.17 -0.86 0.11 0.34 -1.52 0.00 0.00 175.55 173.78 2j04 s ASP 350 N -3.00 0.19 -0.07 -0.18 2.15 0.19 -1.37 116.67 114.59 2j04 s ASP 350 Ca 0.21 -0.60 -0.01 0.00 0.43 0.00 0.00 52.55 52.58 2j04 s ASP 350 Cb 0.01 0.25 0.03 0.00 -0.30 0.00 0.00 42.92 42.91 2j04 s ASP 350 CO 0.05 -0.57 -0.01 -0.04 -0.17 0.00 0.00 175.17 174.44 2j04 s MET 351 N -3.02 0.68 0.00 4.34 -1.94 -1.26 -0.85 119.30 117.25 2j04 s MET 351 Ca -0.01 0.05 0.00 0.00 -1.71 0.00 0.00 55.69 54.02 2j04 s MET 351 Cb 0.01 -0.97 0.00 0.00 2.01 0.00 0.00 34.83 35.89 2j04 s MET 351 CO -0.06 -0.26 0.00 0.39 -0.01 0.00 0.00 175.02 175.07 2j04 n GLU 352 N 4.93 0.22 0.00 2.03 1.02 -1.19 -5.03 120.64 122.61 2j04 n GLU 352 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2j04 n GLU 352 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 2j04 n GLU 352 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2j04 n ARG 353 N 0.00 1.53 0.00 3.49 1.74 -1.26 -2.53 116.66 119.63 2j04 n ARG 353 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2j04 n ARG 353 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2j04 n ARG 353 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2j04 n VAL 354 N 0.00 0.00 0.92 1.55 0.24 -1.03 -4.59 118.33 115.43 2j04 n VAL 354 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.42 2j04 n VAL 354 Cb 0.00 0.00 0.28 0.00 -1.47 0.00 0.00 33.84 32.65 2j04 n VAL 354 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2j04 n ALA 355 N -3.00 2.48 -1.41 2.33 0.00 -1.26 -4.96 120.51 114.69 2j04 n ALA 355 Ca 0.00 -0.70 0.17 0.00 0.00 0.00 0.00 53.44 52.91 2j04 n ALA 355 Cb 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 18.40 2j04 n ALA 355 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2j04 n PHE 356 N 0.94 -3.73 -2.96 0.00 -0.00 -1.26 -4.89 117.46 105.55 2j04 n PHE 356 Ca 0.17 2.02 -0.14 0.00 -0.00 0.00 0.00 57.45 59.50 2j04 n PHE 356 Cb 0.49 -3.40 -0.00 0.00 -0.00 0.00 0.00 39.48 36.57 2j04 n PHE 356 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 2j04 n LYS 357 N -4.28 1.05 0.00 3.97 4.81 -1.26 -5.06 118.16 117.39 2j04 n LYS 357 Ca -0.07 -3.33 0.00 0.00 -0.87 0.00 0.00 58.31 54.04 2j04 n LYS 357 Cb 0.66 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 34.21 2j04 n LYS 357 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 2j04 n TYR 358 N 0.13 0.00 -2.56 5.64 0.18 -1.26 -4.81 117.16 114.48 2j04 n TYR 358 Ca 0.18 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.91 2j04 n TYR 358 Cb 0.73 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.65 2j04 n TYR 358 CO 0.00 0.00 0.00 1.17 -2.08 0.00 0.00 176.86 175.95 2j04 n LYS 359 N 0.00 -4.38 -1.52 -3.48 3.00 -1.26 -4.88 118.16 105.64 2j04 n LYS 359 Ca 0.00 3.32 -0.47 0.00 -0.00 0.00 0.00 58.31 61.16 2j04 n LYS 359 Cb 0.00 -4.95 -0.03 0.00 0.00 0.00 0.00 35.03 30.05 2j04 n LYS 359 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2j04 n ILE 360 N 1.57 1.67 0.00 3.15 5.41 -1.26 -4.81 119.36 125.09 2j04 n ILE 360 Ca -0.39 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 62.95 2j04 n ILE 360 Cb 0.60 -0.57 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 2j04 n ILE 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2j04 n ALA 361 N 0.47 0.00 -2.63 -1.39 0.00 -1.26 -3.35 120.51 112.34 2j04 n ALA 361 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 2j04 n ALA 361 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 2j04 n ALA 361 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2j04 s SER 362 N 0.00 6.32 0.00 0.00 0.15 -1.26 -4.59 113.70 114.32 2j04 s SER 362 Ca 0.00 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2j04 s SER 362 Cb 0.00 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2j04 s SER 362 CO 0.00 -1.46 0.00 1.21 1.20 0.00 0.00 173.24 174.19 2j04 n GLU 363 N 8.19 0.00 0.00 5.44 4.07 -1.21 -5.04 120.64 132.09 2j04 n GLU 363 Ca 0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 2j04 n GLU 363 Cb 0.48 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.86 2j04 n GLU 363 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 2j04 n GLN 364 N 0.00 0.00 -4.45 5.31 -0.06 -1.26 -4.59 117.38 112.33 2j04 n GLN 364 Ca 0.00 0.00 -0.22 0.00 -2.00 0.00 0.00 57.00 54.78 2j04 n GLN 364 Cb 0.00 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.08 2j04 n GLN 364 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2j04 s SER 365 N 0.00 2.96 0.33 1.69 1.04 -1.26 -1.24 113.70 117.22 2j04 s SER 365 Ca 0.00 -1.18 0.03 0.00 0.48 0.00 0.00 55.95 55.28 2j04 s SER 365 Cb 0.00 -0.20 -0.05 0.00 0.10 0.00 0.00 66.02 65.87 2j04 s SER 365 CO 0.00 -0.30 0.10 -0.36 0.98 0.00 0.00 173.24 173.66 2j04 s PHE 366 N -2.92 1.78 -0.02 5.02 0.40 0.35 -4.92 117.98 117.67 2j04 s PHE 366 Ca 0.30 -1.15 0.03 0.00 -0.60 0.00 0.00 56.93 55.51 2j04 s PHE 366 Cb 0.03 -1.11 -0.00 0.00 0.51 0.00 0.00 43.02 42.45 2j04 s PHE 366 CO 0.13 -0.22 -0.10 -0.80 0.70 0.00 0.00 175.22 174.93 2j04 s ASN 367 N -3.47 1.22 -0.24 1.36 0.01 -0.47 -1.53 114.94 111.83 2j04 s ASN 367 Ca 0.33 -0.19 -0.08 0.00 -0.71 0.00 0.00 52.86 52.21 2j04 s ASN 367 Cb 0.06 -0.26 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 2j04 s ASN 367 CO 0.15 0.09 0.10 -0.63 -1.51 0.00 0.00 177.10 175.30 2j04 s ILE 368 N 0.04 4.67 -0.02 0.60 1.01 -0.24 -0.86 121.20 126.41 2j04 s ILE 368 Ca -0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.48 2j04 s ILE 368 Cb -0.07 -3.18 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 2j04 s ILE 368 CO 0.00 0.35 0.33 -0.32 0.00 0.00 0.00 174.94 175.30 2j04 s MET 369 N 1.34 3.74 -0.14 2.79 -2.45 0.55 -1.59 119.30 123.54 2j04 s MET 369 Ca 0.06 0.19 0.01 0.00 -1.25 0.00 0.00 55.69 54.70 2j04 s MET 369 Cb -0.15 -3.16 0.02 0.00 1.25 0.00 0.00 34.83 32.79 2j04 s MET 369 CO 0.05 0.69 -0.15 -0.06 1.05 0.00 0.00 175.02 176.59 2j04 s PHE 370 N -1.14 2.20 0.02 4.11 0.40 -1.26 -0.42 117.98 121.89 2j04 s PHE 370 Ca 0.23 -1.18 0.01 0.00 -0.60 0.00 0.00 56.93 55.39 2j04 s PHE 370 Cb -0.15 -1.59 -0.02 0.00 0.51 0.00 0.00 43.02 41.78 2j04 s PHE 370 CO 0.12 -0.62 -0.05 0.00 0.70 0.00 0.00 175.22 175.37 2j04 s ALA 371 N 1.29 0.34 0.03 5.36 0.00 0.31 -4.35 121.76 124.74 2j04 s ALA 371 Ca 0.01 -0.51 -0.28 0.00 0.00 0.00 0.00 51.96 51.18 2j04 s ALA 371 Cb -0.14 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2j04 s ALA 371 CO -0.08 -0.03 0.89 -1.25 0.00 0.00 0.00 175.76 175.29 2j04 s PRO 372 N -1.06 4.56 0.00 0.00 0.04 -1.26 -0.02 135.00 137.26 2j04 s PRO 372 Ca -0.08 1.27 0.26 0.00 0.04 0.00 0.00 61.00 62.48 2j04 s PRO 372 Cb -0.07 -3.42 0.61 0.00 0.04 0.00 0.00 34.50 31.66 2j04 s PRO 372 CO -0.00 0.11 1.48 1.28 0.04 0.00 0.00 177.00 179.90 2j04 n LEU 373 N 3.37 0.70 -4.27 -3.56 4.77 -0.71 -4.92 117.00 112.39 2j04 n LEU 373 Ca 0.02 -0.10 -0.19 0.00 -0.03 0.00 0.00 56.01 55.71 2j04 n LEU 373 Cb 0.50 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 2j04 n LEU 373 CO 0.50 0.15 -0.09 -0.31 -1.33 0.00 0.00 177.39 176.31 2j04 s TYR 374 N -2.80 1.73 -0.12 -1.77 1.51 -1.26 -5.06 117.35 109.58 2j04 s TYR 374 Ca 0.16 -1.65 0.17 0.00 -1.01 0.00 0.00 57.07 54.74 2j04 s TYR 374 Cb 0.18 -0.68 -0.14 0.00 -0.11 0.00 0.00 41.96 41.22 2j04 s TYR 374 CO 0.63 -0.89 0.82 0.72 -1.11 0.00 0.00 175.55 175.71 2j04 n HIS 375 N -0.62 0.99 -4.37 2.71 8.25 -1.26 -4.96 115.22 115.95 2j04 n HIS 375 Ca 0.07 0.33 -0.19 0.00 -0.26 0.00 0.00 57.72 57.68 2j04 n HIS 375 Cb 0.62 -1.09 -0.10 0.00 1.12 0.00 0.00 29.99 30.53 2j04 n HIS 375 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2j04 s THR 376 N -2.91 0.93 0.33 1.59 -4.23 -1.26 -5.12 115.64 104.97 2j04 s THR 376 Ca -0.03 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.51 2j04 s THR 376 Cb 0.09 -2.62 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 2j04 s THR 376 CO 0.81 -0.09 0.35 -1.66 -0.54 0.00 0.00 174.62 173.49 2j04 s TRP 377 N -3.49 1.49 0.06 3.99 1.48 -1.26 -5.07 118.94 116.15 2j04 s TRP 377 Ca 0.35 -1.53 -0.05 0.00 -1.06 0.00 0.00 56.10 53.81 2j04 s TRP 377 Cb 0.08 -0.48 -0.02 0.00 -1.16 0.00 0.00 33.47 31.89 2j04 s TRP 377 CO 0.13 -0.97 0.09 0.95 -4.06 0.00 0.00 176.95 173.09 2j04 s THR 378 N -3.30 0.17 -0.67 0.66 -4.23 -1.26 -2.56 115.64 104.45 2j04 s THR 378 Ca 0.37 -1.38 -0.27 0.00 -1.18 0.00 0.00 61.69 59.22 2j04 s THR 378 Cb 0.01 -1.29 0.02 0.00 1.34 0.00 0.00 72.50 72.58 2j04 s THR 378 CO 0.25 -0.76 1.37 -0.63 -0.54 0.00 0.00 174.62 174.30 2j04 s ILE 379 N -3.56 3.73 0.30 2.99 1.01 -1.26 -4.96 121.20 119.44 2j04 s ILE 379 Ca 0.03 0.50 -0.13 0.00 0.00 0.00 0.00 60.65 61.06 2j04 s ILE 379 Cb 0.04 -4.67 -0.08 0.00 0.01 0.00 0.00 42.46 37.76 2j04 s ILE 379 CO -0.09 -1.53 0.67 -0.55 0.00 0.00 0.00 174.94 173.44 2j04 s SER 380 N 4.33 6.70 0.10 3.58 0.15 -1.26 -4.95 113.70 122.35 2j04 s SER 380 Ca 0.44 1.13 0.21 0.00 0.70 0.00 0.00 55.95 58.43 2j04 s SER 380 Cb -0.09 -2.31 0.85 0.00 -1.71 0.00 0.00 66.02 62.75 2j04 s SER 380 CO 0.19 -0.18 1.64 -0.62 1.20 0.00 0.00 173.24 175.48 2j04 n GLU 381 N -0.38 0.09 0.08 5.44 1.02 -1.26 -3.03 120.64 122.60 2j04 n GLU 381 Ca 0.02 0.26 0.13 0.00 -0.02 0.00 0.00 57.16 57.55 2j04 n GLU 381 Cb 0.53 -1.65 0.42 0.00 -0.02 0.00 0.00 31.44 30.72 2j04 n GLU 381 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2j04 n ARG 382 N -1.81 0.21 -4.39 3.49 1.74 -1.26 -4.80 116.66 109.83 2j04 n ARG 382 Ca 0.04 0.15 -0.20 0.00 -0.77 0.00 0.00 57.85 57.07 2j04 n ARG 382 Cb 0.24 -1.73 -0.10 0.00 -1.02 0.00 0.00 32.46 29.85 2j04 n ARG 382 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2j04 s ALA 383 N -3.09 2.21 0.17 7.54 0.00 -1.17 -4.57 121.76 122.86 2j04 s ALA 383 Ca 0.11 -1.80 -0.02 0.00 0.00 0.00 0.00 51.96 50.24 2j04 s ALA 383 Cb 0.14 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 2j04 s ALA 383 CO 0.60 -0.01 0.13 0.14 0.00 0.00 0.00 175.76 176.62 2j04 s VAL 384 N -2.99 0.05 0.00 0.00 -7.23 -0.25 -4.78 120.40 105.19 2j04 s VAL 384 Ca 0.27 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 2j04 s VAL 384 Cb 0.02 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.71 2j04 s VAL 384 CO 0.10 -0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 2j04 n GLY 385 N -0.20 2.73 0.28 2.32 0.00 -1.00 -1.80 105.19 107.52 2j04 n GLY 385 Ca -0.02 -0.13 0.17 0.00 0.00 0.00 0.00 46.02 46.04 2j04 n GLY 385 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2j04 h LEU 386 N 0.00 0.00 -0.77 0.99 4.07 -1.85 -1.71 115.31 116.05 2j04 h LEU 386 Ca 0.00 0.00 0.17 0.00 0.08 0.00 0.00 57.88 58.13 2j04 h LEU 386 Cb 0.00 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 41.63 2j04 h LEU 386 CO 0.00 0.05 0.20 0.00 -1.08 0.00 0.00 178.44 177.60 2j04 h ALA 387 N 1.95 1.02 0.31 1.53 0.00 -1.40 0.26 119.26 122.93 2j04 h ALA 387 Ca -0.00 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2j04 h ALA 387 Cb 0.44 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2j04 h ALA 387 CO 0.01 -0.35 -0.18 -1.49 0.00 0.00 0.00 179.25 177.24 2j04 h TRP 388 N 0.27 -0.47 -0.99 0.00 6.55 -1.41 -2.61 115.95 117.29 2j04 h TRP 388 Ca 0.44 -0.01 0.20 0.00 0.95 0.00 0.00 58.89 60.47 2j04 h TRP 388 Cb 0.77 0.16 -0.11 0.00 -0.86 0.00 0.00 29.16 29.13 2j04 h TRP 388 CO -0.26 -0.28 0.60 -0.92 -1.05 0.00 0.00 178.44 176.53 2j04 h TYR 389 N -0.46 1.04 -0.02 0.49 3.20 -0.98 0.13 116.97 120.36 2j04 h TYR 389 Ca -0.03 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.89 2j04 h TYR 389 Cb 0.38 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 2j04 h TYR 389 CO -0.08 0.20 -0.12 1.96 -1.64 0.00 0.00 178.16 178.48 2j04 h GLN 390 N 0.72 -0.18 -0.94 1.82 4.20 -0.45 -0.51 115.11 119.78 2j04 h GLN 390 Ca 0.58 0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.34 2j04 h GLN 390 Cb 0.94 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.71 2j04 h GLN 390 CO -0.40 -0.12 0.62 1.15 -0.67 0.00 0.00 178.83 179.40 2j04 h THR 391 N -0.19 1.17 -0.13 -0.54 2.02 -0.46 0.18 112.91 114.96 2j04 h THR 391 Ca 0.05 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.83 2j04 h THR 391 Cb 0.26 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 2j04 h THR 391 CO -0.13 0.22 0.04 0.22 0.37 0.00 0.00 175.52 176.23 2j04 h TYR 392 N 1.19 0.07 -0.22 3.16 3.20 -0.60 0.18 116.97 123.94 2j04 h TYR 392 Ca 0.37 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.20 2j04 h TYR 392 Cb -0.02 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 2j04 h TYR 392 CO -0.00 0.04 -0.02 1.96 -1.64 0.00 0.00 178.16 178.50 2j04 h GLN 393 N 0.10 0.41 -0.19 1.82 1.08 -0.25 -1.26 115.11 116.83 2j04 h GLN 393 Ca 0.06 -0.14 0.01 0.00 -1.45 0.00 0.00 58.65 57.13 2j04 h GLN 393 Cb 0.04 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2j04 h GLN 393 CO -0.06 0.62 0.13 0.82 -0.95 0.00 0.00 178.83 179.38 2j04 h ILE 394 N 0.16 1.01 -0.42 2.54 2.04 -0.50 -0.34 117.51 121.99 2j04 h ILE 394 Ca 0.06 -0.07 -0.23 0.00 1.00 0.00 0.00 64.86 65.62 2j04 h ILE 394 Cb 0.44 0.80 -0.13 0.00 -0.74 0.00 0.00 36.82 37.20 2j04 h ILE 394 CO 0.02 0.04 0.29 -1.22 0.00 0.00 0.00 178.15 177.27 2j04 n TYR 395 N -4.51 1.32 -2.70 1.37 4.02 0.60 -4.54 117.16 112.73 2j04 n TYR 395 Ca 0.00 -1.18 -0.18 0.00 -0.01 0.00 0.00 57.90 56.53 2j04 n TYR 395 Cb 0.12 -0.60 0.00 0.00 -0.02 0.00 0.00 39.34 38.84 2j04 n TYR 395 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2j04 n ASN 396 N -0.11 -4.82 -0.10 7.72 3.02 -0.14 -1.35 115.26 119.49 2j04 n ASN 396 Ca 0.26 -0.05 -0.01 0.00 -0.03 0.00 0.00 54.58 54.75 2j04 n ASN 396 Cb 0.94 -4.00 -0.01 0.00 -0.61 0.00 0.00 39.78 36.10 2j04 n ASN 396 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j04 n GLN 397 N -3.25 -0.54 -1.83 3.52 3.00 -0.51 -5.01 117.38 112.76 2j04 n GLN 397 Ca -0.14 0.27 -0.42 0.00 -0.01 0.00 0.00 57.00 56.69 2j04 n GLN 397 Cb 0.62 -3.77 -0.03 0.00 0.00 0.00 0.00 30.24 27.06 2j04 n GLN 397 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2j04 s SER 398 N -2.21 6.51 0.64 1.08 0.01 -0.45 -4.99 113.70 114.28 2j04 s SER 398 Ca 0.00 2.67 -0.18 0.00 1.31 0.00 0.00 55.95 59.75 2j04 s SER 398 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 2j04 s SER 398 CO 0.00 -0.92 1.26 -0.76 0.41 0.00 0.00 173.24 173.23 2j04 s LEU 399 N 1.97 3.57 0.00 2.44 1.02 -1.26 -4.86 118.68 121.56 2j04 s LEU 399 Ca 0.75 2.53 -0.01 0.00 0.02 0.00 0.00 54.13 57.42 2j04 s LEU 399 Cb -0.44 -4.61 0.02 0.00 0.02 0.00 0.00 46.19 41.18 2j04 s LEU 399 CO 0.33 -1.92 0.09 -0.81 0.02 0.00 0.00 176.35 174.06 2j04 n PRO 400 N -1.90 -0.73 0.27 1.29 -0.04 -1.26 -4.81 135.00 127.82 2j04 n PRO 400 Ca 0.15 -0.15 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 2j04 n PRO 400 Cb 0.49 -0.12 -0.07 0.00 -0.04 0.00 0.00 33.50 33.75 2j04 n PRO 400 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2j04 h LYS 401 N 0.00 -0.79 -3.95 0.54 1.63 -1.88 -3.49 116.57 108.63 2j04 h LYS 401 Ca -0.03 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2j04 h LYS 401 Cb 0.10 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2j04 h LYS 401 CO 0.02 -0.53 -0.81 1.28 -3.45 0.00 0.00 179.45 175.97 2j04 n LEU 402 N -4.69 -5.57 -4.60 5.20 4.77 -1.26 -4.96 117.00 105.90 2j04 n LEU 402 Ca -0.10 2.63 -0.40 0.00 -0.03 0.00 0.00 56.01 58.12 2j04 n LEU 402 Cb 0.36 -2.83 0.03 0.00 -2.33 0.00 0.00 43.42 38.65 2j04 n LEU 402 CO 0.22 -1.78 0.53 -2.65 -1.33 0.00 0.00 177.39 172.38 2j04 n PRO 403 N 1.58 1.13 -1.57 3.23 -0.02 -1.26 -4.87 135.00 133.22 2j04 n PRO 403 Ca 0.00 0.42 -0.52 0.00 -2.02 0.00 0.00 63.50 61.38 2j04 n PRO 403 Cb 0.00 -2.06 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 2j04 n PRO 403 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2j04 n GLU 404 N -0.27 0.94 -1.10 -0.52 4.07 -1.26 -0.95 120.64 121.54 2j04 n GLU 404 Ca 0.11 0.34 -0.03 0.00 -0.06 0.00 0.00 57.16 57.51 2j04 n GLU 404 Cb 0.43 -1.89 -0.01 0.00 -0.06 0.00 0.00 31.44 29.90 2j04 n GLU 404 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2j04 n ASN 405 N 2.19 -5.25 -4.64 4.31 3.02 -1.26 -4.93 115.26 108.70 2j04 n ASN 405 Ca 0.18 0.09 -0.42 0.00 -0.03 0.00 0.00 54.58 54.39 2j04 n ASN 405 Cb 0.19 -3.05 -0.03 0.00 -0.61 0.00 0.00 39.78 36.28 2j04 n ASN 405 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2j04 n PHE 406 N -2.29 2.33 -4.35 3.10 7.35 -0.13 -4.96 117.46 118.52 2j04 n PHE 406 Ca -0.03 -0.30 -0.30 0.00 -0.76 0.00 0.00 57.45 56.06 2j04 n PHE 406 Cb 0.42 -2.78 -0.11 0.00 0.35 0.00 0.00 39.48 37.36 2j04 n PHE 406 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2j04 s SER 407 N 5.77 4.08 0.65 -2.13 0.15 -1.26 -4.99 113.70 115.97 2j04 s SER 407 Ca 0.93 -0.46 0.37 0.00 0.70 0.00 0.00 55.95 57.49 2j04 s SER 407 Cb -0.40 -0.68 2.04 0.00 -1.71 0.00 0.00 66.02 65.27 2j04 s SER 407 CO 0.40 0.20 2.19 -0.03 1.20 0.00 0.00 173.24 177.20 2j04 h MET 408 N 3.88 0.00 -2.28 5.44 4.05 -2.01 -2.58 114.93 121.43 2j04 h MET 408 Ca -0.49 0.00 -0.60 0.00 -0.28 0.00 0.00 59.70 58.33 2j04 h MET 408 Cb 1.17 0.00 -0.42 0.00 -0.80 0.00 0.00 31.60 31.55 2j04 h MET 408 CO 0.49 0.00 -0.60 0.27 0.23 0.00 0.00 176.91 177.30 2j04 n ASN 409 N -3.20 4.58 -4.25 1.39 0.23 -1.26 -4.67 115.26 108.09 2j04 n ASN 409 Ca -0.02 -3.69 -0.29 0.00 -0.53 0.00 0.00 54.58 50.05 2j04 n ASN 409 Cb 0.20 -0.57 -0.16 0.00 -2.08 0.00 0.00 39.78 37.17 2j04 n ASN 409 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2j04 s LYS 410 N -3.50 2.07 0.56 -3.83 1.02 -0.98 -5.05 119.74 110.04 2j04 s LYS 410 Ca 0.49 -0.82 -0.21 0.00 0.02 0.00 0.00 55.97 55.45 2j04 s LYS 410 Cb 0.28 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.66 2j04 s LYS 410 CO -0.14 0.43 1.30 0.15 -0.92 0.00 0.00 175.35 176.17 2j04 s LYS 411 N -0.35 3.07 0.48 1.68 1.02 -1.26 -4.88 119.74 119.51 2j04 s LYS 411 Ca 0.03 2.08 -0.24 0.00 0.02 0.00 0.00 55.97 57.87 2j04 s LYS 411 Cb -0.11 -2.14 -0.07 0.00 -0.52 0.00 0.00 37.83 34.99 2j04 s LYS 411 CO 0.01 -1.20 1.33 -0.51 -0.92 0.00 0.00 175.35 174.06 2j04 s LEU 412 N -3.72 4.02 -1.08 3.17 1.02 -1.26 -2.42 118.68 118.41 2j04 s LEU 412 Ca 0.74 2.70 0.00 0.00 0.02 0.00 0.00 54.13 57.59 2j04 s LEU 412 Cb -0.37 -4.11 0.00 0.00 0.02 0.00 0.00 46.19 41.73 2j04 s LEU 412 CO 0.42 -1.22 0.00 0.18 0.02 0.00 0.00 176.35 175.76 2j04 n LEU 413 N -0.49 -1.08 -1.90 1.79 4.77 -1.26 0.86 117.00 119.68 2j04 n LEU 413 Ca 0.07 0.22 -0.20 0.00 -0.03 0.00 0.00 56.01 56.07 2j04 n LEU 413 Cb 0.44 -2.08 -0.05 0.00 -2.33 0.00 0.00 43.42 39.40 2j04 n LEU 413 CO 0.54 -0.21 -0.22 -3.20 -1.33 0.00 0.00 177.39 172.97 2j04 n ASN 414 N -1.56 -5.58 0.00 -1.43 5.15 -1.02 -2.53 115.26 108.30 2j04 n ASN 414 Ca -0.14 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 2j04 n ASN 414 Cb 0.57 -4.73 0.00 0.00 -0.53 0.00 0.00 39.78 35.09 2j04 n ASN 414 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2j04 n GLY 415 N -0.75 2.84 3.48 8.20 0.00 0.25 -4.92 105.19 114.29 2j04 n GLY 415 Ca -0.22 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 2j04 n GLY 415 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2j04 n ASN 416 N 0.75 0.80 -4.63 1.61 4.05 -1.05 -4.93 115.26 111.86 2j04 n ASN 416 Ca 0.00 -2.30 -0.40 0.00 0.45 0.00 0.00 54.58 52.33 2j04 n ASN 416 Cb 0.00 -1.33 -0.07 0.00 1.23 0.00 0.00 39.78 39.61 2j04 n ASN 416 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 2j04 s TYR 417 N 13.17 3.30 -1.07 1.20 4.12 -1.26 -4.85 117.35 131.96 2j04 s TYR 417 Ca 0.68 0.74 -0.12 0.00 0.02 0.00 0.00 57.07 58.39 2j04 s TYR 417 Cb -0.01 -2.76 -0.07 0.00 -1.52 0.00 0.00 41.96 37.60 2j04 s TYR 417 CO 0.19 -0.25 2.23 -0.35 0.02 0.00 0.00 175.55 177.38 2j04 n PRO 418 N 5.41 2.31 0.09 -1.71 -0.04 -1.26 -4.71 135.00 135.09 2j04 n PRO 418 Ca -0.03 -1.82 0.11 0.00 -0.04 0.00 0.00 63.50 61.71 2j04 n PRO 418 Cb 0.50 -2.73 0.44 0.00 -0.04 0.00 0.00 33.50 31.66 2j04 n PRO 418 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2j04 n ILE 419 N 4.66 0.84 0.28 0.52 -5.35 -1.26 -2.00 119.36 117.05 2j04 n ILE 419 Ca 0.53 0.20 0.14 0.00 -0.27 0.00 0.00 62.75 63.35 2j04 n ILE 419 Cb 0.25 -1.06 0.81 0.00 -1.74 0.00 0.00 39.64 37.90 2j04 n ILE 419 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2j04 h SER 420 N 0.00 0.00 -4.23 7.28 4.64 -2.00 -3.45 113.55 115.79 2j04 h SER 420 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 2j04 h SER 420 Cb 0.36 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.60 2j04 h SER 420 CO 0.00 0.07 0.27 -0.76 -0.87 0.00 0.00 176.83 175.54 2j04 s LEU 421 N -7.30 2.78 0.49 5.97 1.43 -0.85 -5.01 118.68 116.20 2j04 s LEU 421 Ca -0.03 1.88 -0.21 0.00 -1.03 0.00 0.00 54.13 54.73 2j04 s LEU 421 Cb 0.14 -4.41 -0.07 0.00 0.03 0.00 0.00 46.19 41.88 2j04 s LEU 421 CO 0.56 -2.53 1.11 1.51 0.23 0.00 0.00 176.35 177.23 2j04 s ASP 422 N -3.15 6.10 0.33 2.29 1.47 -1.26 -4.77 116.67 117.68 2j04 s ASP 422 Ca 0.63 2.13 0.10 0.00 1.18 0.00 0.00 52.55 56.60 2j04 s ASP 422 Cb -0.19 -2.58 0.89 0.00 -0.34 0.00 0.00 42.92 40.70 2j04 s ASP 422 CO 0.57 -0.96 1.75 0.15 0.68 0.00 0.00 175.17 177.36 2j04 h PHE 423 N 1.63 0.96 -0.03 2.11 3.57 -1.95 0.88 116.94 124.12 2j04 h PHE 423 Ca -0.50 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 60.85 2j04 h PHE 423 Cb 1.24 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 2j04 h PHE 423 CO 0.54 0.11 -0.79 0.37 -2.23 0.00 0.00 178.31 176.31 2j04 h GLN 424 N 0.59 0.25 -0.32 1.11 5.75 -1.95 -1.62 115.11 118.93 2j04 h GLN 424 Ca 0.62 -0.24 -0.15 0.00 -0.15 0.00 0.00 58.65 58.73 2j04 h GLN 424 Cb 1.20 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.80 2j04 h GLN 424 CO -0.42 0.92 -0.40 0.77 -2.65 0.00 0.00 178.83 177.05 2j04 h SER 425 N 0.16 0.82 -0.36 -0.69 0.02 -1.37 -2.35 113.55 109.78 2j04 h SER 425 Ca -0.03 -0.37 -0.07 0.00 -0.84 0.00 0.00 61.79 60.48 2j04 h SER 425 Cb 1.38 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 2j04 h SER 425 CO 0.12 1.12 0.01 0.22 -1.14 0.00 0.00 176.83 177.16 2j04 h TYR 426 N 0.63 0.77 -0.25 3.45 3.20 -0.63 0.24 116.97 124.38 2j04 h TYR 426 Ca 0.05 -0.10 -0.20 0.00 3.14 0.00 0.00 58.73 61.63 2j04 h TYR 426 Cb 0.95 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.01 2j04 h TYR 426 CO 0.05 0.71 -0.61 -0.07 -1.64 0.00 0.00 178.16 176.60 2j04 h LEU 427 N 0.68 0.97 -0.21 2.82 3.38 -1.14 -2.68 115.31 119.14 2j04 h LEU 427 Ca 0.14 -0.56 0.02 0.00 0.09 0.00 0.00 57.88 57.57 2j04 h LEU 427 Cb 0.41 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2j04 h LEU 427 CO 0.02 1.36 0.05 0.78 0.09 0.00 0.00 178.44 180.74 2j04 h ASN 428 N 0.63 0.04 -0.80 -0.43 2.35 -0.95 0.57 115.58 117.00 2j04 h ASN 428 Ca -0.01 0.03 0.19 0.00 -0.55 0.00 0.00 56.30 55.96 2j04 h ASN 428 Cb 1.23 0.03 -0.13 0.00 0.05 0.00 0.00 38.32 39.50 2j04 h ASN 428 CO 0.13 0.05 0.15 0.00 -1.65 0.00 0.00 177.43 176.12 2j04 h ALA 429 N 1.14 1.03 -0.09 -0.83 0.00 -0.50 -0.68 119.26 119.32 2j04 h ALA 429 Ca 0.09 0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 2j04 h ALA 429 Cb 0.08 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2j04 h ALA 429 CO -0.11 -0.40 -0.13 -0.07 0.00 0.00 0.00 179.25 178.54 2j04 h LEU 430 N 0.21 0.27 -1.89 0.00 3.38 -0.93 -2.93 115.31 113.42 2j04 h LEU 430 Ca 0.47 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2j04 h LEU 430 Cb 0.86 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2j04 h LEU 430 CO -0.60 0.74 -0.10 0.24 0.09 0.00 0.00 178.44 178.80 2j04 h MET 431 N -0.18 0.00 0.00 1.13 2.86 -0.05 0.28 114.93 118.97 2j04 h MET 431 Ca 0.01 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 2j04 h MET 431 Cb 0.68 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2j04 h MET 431 CO 0.03 0.10 -0.47 0.87 1.06 0.00 0.00 176.91 178.50 2j04 h LYS 432 N 0.00 0.00 -6.59 1.72 1.57 -1.14 -3.43 116.57 108.70 2j04 h LYS 432 Ca -0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 2j04 h LYS 432 Cb 0.20 0.00 0.16 0.00 0.08 0.00 0.00 32.23 32.67 2j04 h LYS 432 CO 0.01 0.32 -0.21 -1.13 -0.57 0.00 0.00 179.45 177.88 2j04 n SER 433 N -3.14 -0.34 0.06 0.86 3.41 0.09 -4.87 113.62 109.69 2j04 n SER 433 Ca 0.01 0.80 -0.03 0.00 -0.26 0.00 0.00 58.87 59.39 2j04 n SER 433 Cb 0.68 -1.24 0.21 0.00 -0.26 0.00 0.00 64.21 63.60 2j04 n SER 433 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2j04 h GLU 434 N 0.47 0.36 -0.32 4.33 4.81 -1.91 -3.12 114.58 119.19 2j04 h GLU 434 Ca -0.46 -0.15 -0.17 0.00 -0.13 0.00 0.00 59.36 58.44 2j04 h GLU 434 Cb 1.38 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 2j04 h GLU 434 CO 0.49 0.66 -0.48 1.05 -0.73 0.00 0.00 179.01 180.00 2j04 h GLU 435 N 0.31 0.89 -0.51 1.92 9.09 -1.91 -2.45 114.58 121.91 2j04 h GLU 435 Ca 0.04 -0.52 0.08 0.00 0.05 0.00 0.00 59.36 59.00 2j04 h GLU 435 Cb 0.76 0.04 -0.06 0.00 -1.65 0.00 0.00 28.75 27.84 2j04 h GLU 435 CO 0.06 1.16 0.16 1.98 0.05 0.00 0.00 179.01 182.43 2j04 h MET 436 N 0.70 0.32 0.18 1.06 4.05 -1.81 -0.36 114.93 119.08 2j04 h MET 436 Ca 0.03 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.45 2j04 h MET 436 Cb 1.08 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.78 2j04 h MET 436 CO 0.11 0.21 -0.33 -0.09 0.23 0.00 0.00 176.91 177.04 2j04 h ARG 437 N 0.33 -0.58 -0.80 0.39 2.43 -1.47 0.10 114.38 114.79 2j04 h ARG 437 Ca 0.25 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.44 2j04 h ARG 437 Cb 0.29 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 2j04 h ARG 437 CO -0.27 -0.38 0.40 0.82 -1.51 0.00 0.00 179.97 179.02 2j04 h ILE 438 N -0.60 1.24 -0.42 1.20 2.04 -1.13 -1.27 117.51 118.58 2j04 h ILE 438 Ca 0.02 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 2j04 h ILE 438 Cb 0.60 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2j04 h ILE 438 CO -0.16 0.29 0.01 0.40 0.00 0.00 0.00 178.15 178.69 2j04 h ILE 439 N 1.13 1.26 0.09 -0.67 2.04 -0.87 -0.64 117.51 119.84 2j04 h ILE 439 Ca 0.28 -1.00 0.02 0.00 1.00 0.00 0.00 64.86 65.16 2j04 h ILE 439 Cb 0.08 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2j04 h ILE 439 CO -0.04 0.34 -0.28 0.24 0.00 0.00 0.00 178.15 178.41 2j04 h MET 440 N 0.57 -0.45 0.06 2.37 2.86 -0.22 -0.29 114.93 119.83 2j04 h MET 440 Ca 0.12 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2j04 h MET 440 Cb 0.46 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.23 2j04 h MET 440 CO 0.02 -0.30 -0.03 0.35 1.06 0.00 0.00 176.91 178.01 2j04 h PHE 441 N -0.47 -0.07 -0.29 -0.22 3.57 -1.02 -2.75 116.94 115.68 2j04 h PHE 441 Ca 0.04 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.56 2j04 h PHE 441 Cb 0.51 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 2j04 h PHE 441 CO -0.27 -0.04 0.20 -0.07 -2.23 0.00 0.00 178.31 175.90 2j04 h LEU 442 N -0.08 0.26 -2.19 0.59 3.38 -0.81 0.50 115.31 116.97 2j04 h LEU 442 Ca -0.01 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2j04 h LEU 442 Cb 0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2j04 h LEU 442 CO 0.01 0.18 0.28 0.78 0.09 0.00 0.00 178.44 179.79 2j04 h ASN 443 N 0.31 0.00 0.05 -0.43 2.35 -0.74 0.26 115.58 117.38 2j04 h ASN 443 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2j04 h ASN 443 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2j04 h ASN 443 CO -0.02 0.00 -0.03 0.23 -1.65 0.00 0.00 177.43 175.95 2j04 n MET 444 N -3.16 1.31 -0.08 0.81 2.81 0.18 -3.77 117.12 115.22 2j04 n MET 444 Ca -0.00 -0.58 -0.11 0.00 -1.81 0.00 0.00 57.70 55.20 2j04 n MET 444 Cb 0.36 -1.49 -0.08 0.00 -0.71 0.00 0.00 33.22 31.30 2j04 n MET 444 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2j04 n THR 445 N -0.34 0.94 -2.92 2.03 -1.04 0.84 -5.03 114.28 108.76 2j04 n THR 445 Ca 0.19 -0.38 -0.27 0.00 -2.04 0.00 0.00 64.05 61.55 2j04 n THR 445 Cb 0.28 -1.04 -0.01 0.00 -1.82 0.00 0.00 70.33 67.74 2j04 n THR 445 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 2j04 s ILE 446 N -2.33 4.97 0.44 12.58 -4.36 -0.80 -5.01 121.20 126.68 2j04 s ILE 446 Ca -0.20 0.03 0.12 0.00 -0.26 0.00 0.00 60.65 60.34 2j04 s ILE 446 Cb 0.05 -3.84 0.21 0.00 1.25 0.00 0.00 42.46 40.13 2j04 s ILE 446 CO 0.40 -0.70 2.01 0.44 0.24 0.00 0.00 174.94 177.33 2j04 h ASP 447 N 0.57 0.14 -2.82 4.36 3.45 -1.93 -3.39 116.42 116.79 2j04 h ASP 447 Ca -0.48 -0.02 -0.60 0.00 0.43 0.00 0.00 57.03 56.37 2j04 h ASP 447 Cb 1.21 -0.03 -0.39 0.00 -0.56 0.00 0.00 39.33 39.55 2j04 h ASP 447 CO 0.62 0.23 -0.83 -0.54 -1.57 0.00 0.00 179.24 177.15 2j04 s LYS 448 N -4.88 1.09 0.03 3.56 1.02 -1.26 -5.11 119.74 114.19 2j04 s LYS 448 Ca -0.05 -2.01 -0.38 0.00 0.02 0.00 0.00 55.97 53.55 2j04 s LYS 448 Cb 0.16 -1.87 -0.19 0.00 -0.52 0.00 0.00 37.83 35.41 2j04 s LYS 448 CO 0.71 -1.26 1.05 -2.30 -0.92 0.00 0.00 175.35 172.62 2j04 n PRO 449 N 3.27 0.16 -4.25 -1.68 -0.02 -1.26 -4.98 135.00 126.24 2j04 n PRO 449 Ca 0.18 0.06 -0.29 0.00 -2.02 0.00 0.00 63.50 61.42 2j04 n PRO 449 Cb 0.40 -1.53 -0.10 0.00 -0.02 0.00 0.00 33.50 32.25 2j04 n PRO 449 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2j04 s SER 450 N -0.04 4.28 -0.12 2.55 1.04 -1.26 -5.04 113.70 115.12 2j04 s SER 450 Ca 0.87 -0.45 0.15 0.00 0.48 0.00 0.00 55.95 57.00 2j04 s SER 450 Cb -1.19 -0.77 0.28 0.00 0.10 0.00 0.00 66.02 64.44 2j04 s SER 450 CO 0.56 0.16 1.14 2.30 0.98 0.00 0.00 173.24 178.38 2j04 n ILE 451 N 0.59 1.53 0.10 -1.02 -5.35 -1.26 -4.92 119.36 109.03 2j04 n ILE 451 Ca -0.13 -2.01 -0.13 0.00 -0.27 0.00 0.00 62.75 60.21 2j04 n ILE 451 Cb 0.53 -0.04 -0.07 0.00 -1.74 0.00 0.00 39.64 38.32 2j04 n ILE 451 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2j04 h LEU 452 N 0.26 -0.25 -1.47 7.28 3.38 -1.96 0.30 115.31 122.85 2j04 h LEU 452 Ca -0.01 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.14 2j04 h LEU 452 Cb 1.12 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 2j04 h LEU 452 CO 0.01 -0.15 0.55 0.28 0.09 0.00 0.00 178.44 179.22 2j04 h SER 453 N -0.22 0.47 0.13 -0.43 0.02 -1.90 0.41 113.55 112.04 2j04 h SER 453 Ca -0.00 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2j04 h SER 453 Cb 0.21 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2j04 h SER 453 CO -0.02 0.23 -0.06 0.15 -1.14 0.00 0.00 176.83 175.99 2j04 h PHE 454 N 0.49 -0.16 -0.46 3.45 3.57 -1.56 -2.92 116.94 119.36 2j04 h PHE 454 Ca 0.42 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.93 2j04 h PHE 454 Cb 0.91 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 2j04 h PHE 454 CO -0.00 0.16 0.31 -0.07 -2.23 0.00 0.00 178.31 176.48 2j04 h LEU 455 N -0.50 0.52 0.24 0.59 3.38 0.31 0.13 115.31 119.97 2j04 h LEU 455 Ca -0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2j04 h LEU 455 Cb 0.40 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2j04 h LEU 455 CO 0.03 0.37 -0.11 -0.08 0.09 0.00 0.00 178.44 178.74 2j04 h GLU 456 N 0.61 -0.31 -0.67 1.13 4.81 -0.43 0.63 114.58 120.36 2j04 h GLU 456 Ca 0.17 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.55 2j04 h GLU 456 Cb -0.05 0.07 -0.13 0.00 0.63 0.00 0.00 28.75 29.27 2j04 h GLU 456 CO -0.04 -0.05 -0.20 0.00 -0.73 0.00 0.00 179.01 178.00 2j04 h ALA 457 N 0.17 0.38 -0.96 2.92 0.00 -1.07 0.25 119.26 120.94 2j04 h ALA 457 Ca -0.03 0.25 0.20 0.00 0.00 0.00 0.00 54.91 55.33 2j04 h ALA 457 Cb 0.40 0.56 -0.11 0.00 0.00 0.00 0.00 17.79 18.64 2j04 h ALA 457 CO 0.05 -0.46 0.55 -0.07 0.00 0.00 0.00 179.25 179.32 2j04 h LEU 458 N -0.03 0.65 0.11 0.00 4.07 -0.51 -1.93 115.31 117.68 2j04 h LEU 458 Ca 0.32 0.11 -0.17 0.00 0.08 0.00 0.00 57.88 58.23 2j04 h LEU 458 Cb 0.51 0.01 0.02 0.00 1.08 0.00 0.00 40.66 42.28 2j04 h LEU 458 CO -0.71 0.19 -0.72 0.22 -1.08 0.00 0.00 178.44 176.34 2j04 h TYR 459 N 0.64 0.51 -0.32 1.13 3.20 0.17 -2.46 116.97 119.85 2j04 h TYR 459 Ca 0.57 -0.36 0.09 0.00 3.14 0.00 0.00 58.73 62.18 2j04 h TYR 459 Cb 0.96 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 2j04 h TYR 459 CO -0.04 1.26 0.24 0.93 -1.64 0.00 0.00 178.16 178.91 2j04 h GLU 460 N -0.38 0.00 0.07 1.82 4.39 -0.79 -1.71 114.58 117.98 2j04 h GLU 460 Ca -0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 2j04 h GLU 460 Cb 1.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 2j04 h GLU 460 CO 0.14 0.00 -0.04 -0.92 -1.16 0.00 0.00 179.01 177.03 2j04 h TYR 461 N 0.00 -0.09 0.91 4.33 3.20 -1.12 -3.04 116.97 121.15 2j04 h TYR 461 Ca 0.15 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 2j04 h TYR 461 Cb 0.63 0.03 0.01 0.00 1.54 0.00 0.00 36.73 38.94 2j04 h TYR 461 CO 0.00 0.31 -0.43 0.00 -1.64 0.00 0.00 178.16 176.39 2j04 h ALA 462 N 0.35 -1.22 -0.86 1.82 0.00 -0.88 -2.77 119.26 115.71 2j04 h ALA 462 Ca -0.01 -0.27 0.31 0.00 0.00 0.00 0.00 54.91 54.94 2j04 h ALA 462 Cb 0.44 0.47 -0.16 0.00 0.00 0.00 0.00 17.79 18.55 2j04 h ALA 462 CO 0.02 -1.16 0.26 -0.89 0.00 0.00 0.00 179.25 177.48 2j04 n ILE 463 N -5.60 -0.36 0.25 0.00 5.41 -0.72 0.14 119.36 118.48 2j04 n ILE 463 Ca -0.16 1.82 0.09 0.00 1.00 0.00 0.00 62.75 65.51 2j04 n ILE 463 Cb 0.48 -2.82 0.65 0.00 -0.71 0.00 0.00 39.64 37.25 2j04 n ILE 463 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 2j04 h ASN 464 N 0.00 0.00 -1.66 4.38 -1.24 -1.36 -2.86 115.58 112.84 2j04 h ASN 464 Ca 0.64 0.00 -0.63 0.00 0.71 0.00 0.00 56.30 57.02 2j04 h ASN 464 Cb 1.54 0.00 -0.39 0.00 0.73 0.00 0.00 38.32 40.21 2j04 h ASN 464 CO -0.73 0.12 -0.33 0.29 -1.29 0.00 0.00 177.43 175.48 2j04 n LYS 465 N -4.04 3.30 0.02 6.67 5.02 0.37 -4.86 118.16 124.65 2j04 n LYS 465 Ca -0.02 -4.32 -0.08 0.00 -2.02 0.00 0.00 58.31 51.87 2j04 n LYS 465 Cb 0.20 -2.26 0.08 0.00 -0.02 0.00 0.00 35.03 33.04 2j04 n LYS 465 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2j04 h LYS 466 N 2.70 0.50 0.00 1.97 3.64 -1.23 -1.75 116.57 122.40 2j04 h LYS 466 Ca 0.35 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2j04 h LYS 466 Cb 0.71 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2j04 h LYS 466 CO 0.98 0.89 -0.02 0.66 -2.27 0.00 0.00 179.45 179.70 2j04 h SER 467 N 0.39 0.00 -0.57 4.20 4.64 -1.89 -2.00 113.55 118.32 2j04 h SER 467 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2j04 h SER 467 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2j04 h SER 467 CO 0.09 0.02 0.00 -0.62 -0.87 0.00 0.00 176.83 175.45 2j04 n GLU 468 N -3.18 2.66 -3.43 4.77 1.02 -0.66 -4.65 120.64 117.17 2j04 n GLU 468 Ca -0.02 -2.19 -0.44 0.00 -0.02 0.00 0.00 57.16 54.49 2j04 n GLU 468 Cb 0.17 -1.57 -0.04 0.00 -0.02 0.00 0.00 31.44 29.98 2j04 n GLU 468 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2j04 s LEU 469 N -1.20 6.31 0.00 -4.62 1.43 -0.75 -4.72 118.68 115.14 2j04 s LEU 469 Ca 0.40 -2.93 0.02 0.00 -1.03 0.00 0.00 54.13 50.59 2j04 s LEU 469 Cb 0.23 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 44.35 2j04 s LEU 469 CO 0.25 -0.46 0.61 0.35 0.23 0.00 0.00 176.35 177.33 2j04 n THR 470 N 3.57 0.11 -3.59 5.49 -2.24 -1.26 -4.84 114.28 111.51 2j04 n THR 470 Ca 0.15 -0.55 -0.37 0.00 -2.27 0.00 0.00 64.05 61.00 2j04 n THR 470 Cb 0.43 0.98 -0.07 0.00 -2.10 0.00 0.00 70.33 69.58 2j04 n THR 470 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2j04 s ASN 471 N -0.25 6.54 0.12 3.42 3.84 -1.26 -5.02 114.94 122.33 2j04 s ASN 471 Ca 0.03 0.64 -0.14 0.00 0.21 0.00 0.00 52.86 53.59 2j04 s ASN 471 Cb 0.02 -2.18 -0.03 0.00 -0.55 0.00 0.00 41.25 38.51 2j04 s ASN 471 CO 0.03 0.22 1.55 0.28 -2.79 0.00 0.00 177.10 176.39 2j04 h SER 472 N 5.77 0.73 -0.30 -4.21 0.02 -1.92 0.42 113.55 114.06 2j04 h SER 472 Ca -0.47 -0.34 0.04 0.00 -0.84 0.00 0.00 61.79 60.18 2j04 h SER 472 Cb 1.19 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.50 2j04 h SER 472 CO 0.68 0.90 0.06 -0.26 -1.14 0.00 0.00 176.83 177.07 2j04 h PHE 473 N 0.55 0.11 -0.05 3.45 -1.00 -1.93 0.24 116.94 118.31 2j04 h PHE 473 Ca 0.11 0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.93 2j04 h PHE 473 Cb 0.55 -0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.07 2j04 h PHE 473 CO 0.04 0.03 -0.15 -0.44 -1.61 0.00 0.00 178.31 176.18 2j04 h ASP 474 N 0.17 -0.45 -0.06 2.17 3.45 -1.63 0.16 116.42 120.23 2j04 h ASP 474 Ca 0.14 0.07 0.04 0.00 0.43 0.00 0.00 57.03 57.71 2j04 h ASP 474 Cb 0.14 0.20 -0.06 0.00 -0.56 0.00 0.00 39.33 39.06 2j04 h ASP 474 CO -0.18 -0.20 -0.31 -0.07 -1.57 0.00 0.00 179.24 176.90 2j04 h LEU 475 N -0.22 -0.96 -1.91 1.55 -0.00 0.06 -0.01 115.31 113.82 2j04 h LEU 475 Ca 0.07 0.13 0.08 0.00 -0.00 0.00 0.00 57.88 58.16 2j04 h LEU 475 Cb 0.32 0.40 -0.02 0.00 -0.00 0.00 0.00 40.66 41.36 2j04 h LEU 475 CO -0.19 -0.37 0.23 0.00 -0.00 0.00 0.00 178.44 178.12 2j04 h ALA 476 N 0.35 2.18 0.35 1.53 0.00 -0.27 -1.28 119.26 122.13 2j04 h ALA 476 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2j04 h ALA 476 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2j04 h ALA 476 CO -0.30 -0.26 -0.17 0.00 0.00 0.00 0.00 179.25 178.52 2j04 h VAL 478 N -1.02 1.23 -0.60 0.00 3.04 -0.86 -0.96 116.25 117.08 2j04 h VAL 478 Ca -0.05 -0.67 0.12 0.00 -1.01 0.00 0.00 66.70 65.10 2j04 h VAL 478 Cb 0.49 0.37 -0.09 0.00 -2.01 0.00 0.00 31.29 30.05 2j04 h VAL 478 CO 0.08 0.28 0.08 -0.07 -1.01 0.00 0.00 177.57 176.92 2j04 h LEU 479 N 0.98 -0.11 -0.09 3.16 3.38 -1.32 0.49 115.31 121.80 2j04 h LEU 479 Ca 0.24 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 2j04 h LEU 479 Cb 0.13 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2j04 h LEU 479 CO -0.03 -0.04 0.05 0.28 0.09 0.00 0.00 178.44 178.79 2j04 h SER 480 N 0.20 0.11 -0.25 -0.43 0.02 -0.57 -2.42 113.55 110.22 2j04 h SER 480 Ca 0.32 -0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.26 2j04 h SER 480 Cb 0.49 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 2j04 h SER 480 CO -0.45 0.14 -0.10 0.40 -1.14 0.00 0.00 176.83 175.69 2j04 h ILE 481 N 0.07 0.68 -0.93 3.27 2.04 -0.66 -1.55 117.51 120.44 2j04 h ILE 481 Ca 0.03 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.05 2j04 h ILE 481 Cb 0.05 0.68 -0.10 0.00 -0.74 0.00 0.00 36.82 36.71 2j04 h ILE 481 CO -0.01 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.67 2j04 h ALA 482 N 1.17 1.45 -0.41 1.87 0.00 -0.84 0.66 119.26 123.16 2j04 h ALA 482 Ca 0.13 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2j04 h ALA 482 Cb 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2j04 h ALA 482 CO -0.28 -0.03 -0.12 0.00 0.00 0.00 0.00 179.25 178.81 2j04 h ALA 483 N 1.59 0.56 -0.14 0.00 0.00 -0.81 -0.11 119.26 120.35 2j04 h ALA 483 Ca 0.51 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 2j04 h ALA 483 Cb 0.72 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2j04 h ALA 483 CO -0.36 0.46 -0.39 0.82 0.00 0.00 0.00 179.25 179.78 2j04 h ILE 484 N 0.61 1.30 0.00 0.00 2.04 -0.36 -1.57 117.51 119.54 2j04 h ILE 484 Ca 0.10 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.47 2j04 h ILE 484 Cb 0.65 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 2j04 h ILE 484 CO 0.04 0.45 0.00 0.18 0.00 0.00 0.00 178.15 178.82 2j04 n LEU 485 N -4.04 0.00 -3.70 1.44 4.77 0.13 -4.87 117.00 110.72 2j04 n LEU 485 Ca -0.01 0.13 -0.22 0.00 -0.03 0.00 0.00 56.01 55.88 2j04 n LEU 485 Cb 0.47 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.47 2j04 n LEU 485 CO 0.42 -0.00 -0.03 0.29 -1.33 0.00 0.00 177.39 176.74 2j04 n LYS 486 N -1.13 -5.17 -4.76 3.23 5.02 -0.53 -4.99 118.16 109.83 2j04 n LYS 486 Ca 0.19 0.64 -0.33 0.00 -2.02 0.00 0.00 58.31 56.79 2j04 n LYS 486 Cb 0.17 -5.28 -0.12 0.00 -0.02 0.00 0.00 35.03 29.78 2j04 n LYS 486 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2j04 s ARG 487 N -6.02 2.54 -0.23 1.97 0.52 -0.17 -5.04 118.95 112.52 2j04 s ARG 487 Ca 0.09 -0.68 -0.12 0.00 -0.52 0.00 0.00 55.73 54.50 2j04 s ARG 487 Cb -0.05 -2.43 -0.06 0.00 0.52 0.00 0.00 34.95 32.93 2j04 s ARG 487 CO 0.81 0.63 0.75 0.39 0.02 0.00 0.00 175.30 177.89 2j04 n GLU 488 N 2.14 0.00 -3.66 3.54 4.71 -1.26 -4.57 120.64 121.54 2j04 n GLU 488 Ca -0.17 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.61 2j04 n GLU 488 Cb 0.52 -0.46 -0.06 0.00 -1.01 0.00 0.00 31.44 30.43 2j04 n GLU 488 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2j04 s ALA 489 N 2.31 3.75 0.75 0.62 0.00 -1.26 -5.05 121.76 122.89 2j04 s ALA 489 Ca 0.39 -0.43 -0.15 0.00 0.00 0.00 0.00 51.96 51.77 2j04 s ALA 489 Cb -0.43 -2.22 0.05 0.00 0.00 0.00 0.00 23.12 20.53 2j04 s ALA 489 CO 0.18 0.47 1.22 -2.14 0.00 0.00 0.00 175.76 175.49 2j04 s PRO 490 N -0.80 2.00 -0.28 0.00 0.02 -1.26 -4.99 135.00 129.69 2j04 s PRO 490 Ca 0.19 1.80 -0.06 0.00 0.02 0.00 0.00 61.00 62.95 2j04 s PRO 490 Cb -0.14 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.57 2j04 s PRO 490 CO 0.08 -1.95 0.06 0.42 -0.33 0.00 0.00 177.00 175.28 2j04 s ILE 491 N -1.96 3.83 0.05 2.83 1.01 -1.26 -5.05 121.20 120.65 2j04 s ILE 491 Ca 0.75 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 60.79 2j04 s ILE 491 Cb -0.30 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 2j04 s ILE 491 CO 0.47 0.12 -0.23 -0.31 0.00 0.00 0.00 174.94 174.99 2j04 s TYR 492 N 1.48 2.04 -0.69 3.97 1.51 -1.26 -5.09 117.35 119.31 2j04 s TYR 492 Ca 0.03 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.74 2j04 s TYR 492 Cb -0.17 -1.21 0.28 0.00 -0.11 0.00 0.00 41.96 40.75 2j04 s TYR 492 CO 0.01 0.11 0.91 0.09 -1.11 0.00 0.00 175.55 175.57 2j04 n ASN 493 N 1.80 4.35 0.00 2.29 3.02 -1.26 -4.72 115.26 120.75 2j04 n ASN 493 Ca -0.17 -3.51 0.00 0.00 -0.03 0.00 0.00 54.58 50.87 2j04 n ASN 493 Cb 0.53 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 2j04 n ASN 493 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2j04 n GLY 494 N 0.62 3.44 3.27 7.41 0.00 -1.26 -5.07 105.19 113.59 2j04 n GLY 494 Ca 0.30 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 2j04 n GLY 494 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2j04 s THR 495 N -2.10 1.05 -0.26 2.61 -4.23 -1.26 -1.28 115.64 110.17 2j04 s THR 495 Ca 0.00 -2.04 -0.05 0.00 -1.18 0.00 0.00 61.69 58.42 2j04 s THR 495 Cb 0.00 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.84 2j04 s THR 495 CO 0.00 -0.61 0.01 -0.22 -0.54 0.00 0.00 174.62 173.26 2j04 s LEU 496 N -3.20 3.37 -0.18 4.79 2.96 0.13 -4.87 118.68 121.68 2j04 s LEU 496 Ca 0.20 -0.60 -0.13 0.00 -0.22 0.00 0.00 54.13 53.39 2j04 s LEU 496 Cb 0.04 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 2j04 s LEU 496 CO 0.03 -0.11 0.25 -0.22 -1.32 0.00 0.00 176.35 174.98 2j04 s LEU 497 N 1.47 4.21 -0.03 -0.68 2.96 -1.26 -0.09 118.68 125.25 2j04 s LEU 497 Ca 0.03 0.39 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 2j04 s LEU 497 Cb -0.16 -2.29 0.02 0.00 0.50 0.00 0.00 46.19 44.26 2j04 s LEU 497 CO -0.01 0.09 -0.04 -0.32 -1.32 0.00 0.00 176.35 174.76 2j04 s MET 498 N 0.61 0.68 0.21 1.98 -2.45 -0.54 -4.97 119.30 114.83 2j04 s MET 498 Ca 0.14 -0.09 0.06 0.00 -1.25 0.00 0.00 55.69 54.55 2j04 s MET 498 Cb -0.13 -0.71 -0.05 0.00 1.25 0.00 0.00 34.83 35.19 2j04 s MET 498 CO 0.03 -0.06 -0.09 -1.59 1.05 0.00 0.00 175.02 174.36 2j04 s LYS 499 N 0.76 1.33 -0.09 4.11 -2.85 -1.26 -1.95 119.74 119.78 2j04 s LYS 499 Ca -0.10 -1.62 -0.12 0.00 -1.00 0.00 0.00 55.97 53.13 2j04 s LYS 499 Cb -0.13 -0.94 0.03 0.00 -2.06 0.00 0.00 37.83 34.73 2j04 s LYS 499 CO -0.00 0.08 0.32 1.21 0.10 0.00 0.00 175.35 177.06 2j04 s ASN 500 N -3.31 -0.29 0.00 0.03 3.84 0.11 -4.55 114.94 110.77 2j04 s ASN 500 Ca 0.24 0.49 0.00 0.00 0.21 0.00 0.00 52.86 53.80 2j04 s ASN 500 Cb 0.02 0.56 0.00 0.00 -0.55 0.00 0.00 41.25 41.28 2j04 s ASN 500 CO 0.07 -0.20 0.00 -0.24 -2.79 0.00 0.00 177.10 173.94 2j04 n SER 501 N 2.46 0.00 -2.63 -4.21 2.88 -1.26 0.47 113.62 111.33 2j04 n SER 501 Ca -0.15 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.32 2j04 n SER 501 Cb 0.57 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.07 2j04 n SER 501 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2j04 n PHE 502 N -3.00 1.65 -3.65 0.66 1.16 -1.26 -5.06 117.46 107.96 2j04 n PHE 502 Ca 0.00 -2.26 -0.01 0.00 -1.87 0.00 0.00 57.45 53.31 2j04 n PHE 502 Cb 0.00 -0.26 -0.07 0.00 -1.61 0.00 0.00 39.48 37.54 2j04 n PHE 502 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2j04 s LEU 503 N -3.68 -0.20 0.02 5.98 1.98 0.18 -5.17 118.68 117.79 2j04 s LEU 503 Ca 0.33 0.34 0.03 0.00 -2.89 0.00 0.00 54.13 51.94 2j04 s LEU 503 Cb 0.36 1.32 -0.01 0.00 0.66 0.00 0.00 46.19 48.52 2j04 s LEU 503 CO -0.02 -0.06 -0.09 -1.83 -1.89 0.00 0.00 176.35 172.47 2j04 s GLU 504 N 0.74 0.65 -0.15 1.98 -1.05 -1.26 0.08 118.70 119.68 2j04 s GLU 504 Ca -0.03 -0.49 -0.11 0.00 -0.15 0.00 0.00 54.97 54.20 2j04 s GLU 504 Cb -0.04 -0.58 0.05 0.00 -0.44 0.00 0.00 34.13 33.12 2j04 s GLU 504 CO -0.12 0.15 0.39 -1.21 0.95 0.00 0.00 175.26 175.41 2j04 s GLU 505 N -0.72 0.40 0.24 -4.83 0.41 -0.82 -5.03 118.70 108.35 2j04 s GLU 505 Ca -0.01 0.66 0.05 0.00 -0.41 0.00 0.00 54.97 55.27 2j04 s GLU 505 Cb -0.06 0.07 -0.03 0.00 -1.78 0.00 0.00 34.13 32.33 2j04 s GLU 505 CO 0.00 -0.12 0.31 -0.08 -0.49 0.00 0.00 175.26 174.89 2j04 s THR 506 N 0.89 5.04 -0.02 3.63 -1.32 -1.26 -1.46 115.64 121.14 2j04 s THR 506 Ca -0.06 -1.09 -0.02 0.00 -1.21 0.00 0.00 61.69 59.32 2j04 s THR 506 Cb -0.06 -3.73 0.01 0.00 -1.51 0.00 0.00 72.50 67.21 2j04 s THR 506 CO -0.07 -0.32 0.06 -0.36 -2.21 0.00 0.00 174.62 171.72 2j04 s PHE 507 N -2.01 -0.06 0.29 9.09 0.40 0.88 -1.59 117.98 124.98 2j04 s PHE 507 Ca 0.34 0.17 -0.28 0.00 -0.60 0.00 0.00 56.93 56.55 2j04 s PHE 507 Cb -0.09 -0.01 -0.09 0.00 0.51 0.00 0.00 43.02 43.34 2j04 s PHE 507 CO 0.28 -0.04 1.03 -0.80 0.70 0.00 0.00 175.22 176.38 2j04 s ASN 508 N 0.20 7.32 0.51 1.36 0.01 -1.26 0.20 114.94 123.27 2j04 s ASN 508 Ca -0.01 2.09 0.18 0.00 -0.71 0.00 0.00 52.86 54.41 2j04 s ASN 508 Cb -0.02 -2.61 1.26 0.00 0.41 0.00 0.00 41.25 40.29 2j04 s ASN 508 CO -0.01 -0.09 2.09 -0.07 -1.51 0.00 0.00 177.10 177.51 2j04 h LEU 509 N 3.65 0.05 -0.09 0.60 3.38 -1.51 -2.41 115.31 118.99 2j04 h LEU 509 Ca -0.46 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.52 2j04 h LEU 509 Cb 1.21 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2j04 h LEU 509 CO 0.66 0.04 -0.15 -0.33 0.09 0.00 0.00 178.44 178.75 2j04 h GLU 510 N 0.06 -0.12 0.00 1.13 3.07 -1.84 -3.02 114.58 113.85 2j04 h GLU 510 Ca 0.10 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 2j04 h GLU 510 Cb 0.31 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 2j04 h GLU 510 CO -0.01 -0.08 0.19 -1.13 -1.40 0.00 0.00 179.01 176.58 2j04 n SER 511 N -3.42 0.00 0.00 1.42 3.41 -0.91 0.43 113.62 114.56 2j04 n SER 511 Ca -0.01 0.24 0.07 0.00 -0.26 0.00 0.00 58.87 58.91 2j04 n SER 511 Cb 0.10 -0.24 0.39 0.00 -0.26 0.00 0.00 64.21 64.20 2j04 n SER 511 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2j04 n PHE 512 N -1.21 0.00 0.12 7.33 3.01 -1.14 -3.03 117.46 122.54 2j04 n PHE 512 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.48 2j04 n PHE 512 Cb 0.19 -0.09 -0.03 0.00 -0.01 0.00 0.00 39.48 39.54 2j04 n PHE 512 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2j04 n THR 513 N -1.09 0.00 0.10 4.37 -2.24 0.17 -3.88 114.28 111.71 2j04 n THR 513 Ca 0.09 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 2j04 n THR 513 Cb 0.07 0.75 -0.06 0.00 -2.10 0.00 0.00 70.33 68.99 2j04 n THR 513 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2j04 h ALA 514 N 0.54 -0.45 -3.87 6.98 0.00 -1.68 -3.44 119.26 117.34 2j04 h ALA 514 Ca 0.00 -0.04 -0.40 0.00 0.00 0.00 0.00 54.91 54.47 2j04 h ALA 514 Cb 0.15 0.45 -0.30 0.00 0.00 0.00 0.00 17.79 18.09 2j04 h ALA 514 CO 0.00 -0.81 -0.78 0.34 0.00 0.00 0.00 179.25 178.00 2j04 s ASP 515 N -4.82 1.05 0.42 0.00 -1.08 -1.26 -5.04 116.67 105.93 2j04 s ASP 515 Ca -0.16 -0.16 0.15 0.00 -0.52 0.00 0.00 52.55 51.87 2j04 s ASP 515 Cb 0.08 -0.23 0.92 0.00 -1.46 0.00 0.00 42.92 42.23 2j04 s ASP 515 CO 0.65 0.07 1.92 1.55 0.52 0.00 0.00 175.17 179.88 2j04 h PRO 516 N 6.25 0.00 0.08 4.34 0.13 -1.93 -3.34 132.00 137.53 2j04 h PRO 516 Ca -0.32 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.48 2j04 h PRO 516 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2j04 h PRO 516 CO 0.49 0.27 -1.80 0.39 -0.23 0.00 0.00 178.00 177.12 2j04 n GLU 517 N -4.10 0.69 -4.26 0.86 4.71 -1.26 -4.96 120.64 112.32 2j04 n GLU 517 Ca -0.02 0.36 -0.15 0.00 -0.01 0.00 0.00 57.16 57.34 2j04 n GLU 517 Cb 0.33 -1.71 -0.10 0.00 -1.01 0.00 0.00 31.44 28.95 2j04 n GLU 517 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2j04 s THR 518 N -2.49 1.28 0.02 2.62 -4.23 -1.25 -2.69 115.64 108.90 2j04 s THR 518 Ca -0.26 -2.04 0.06 0.00 -1.18 0.00 0.00 61.69 58.28 2j04 s THR 518 Cb 0.07 -1.83 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 2j04 s THR 518 CO 0.69 -0.68 -0.19 0.54 -0.54 0.00 0.00 174.62 174.45 2j04 s VAL 519 N -3.10 1.51 -0.09 2.29 0.11 -0.69 -4.19 120.40 116.25 2j04 s VAL 519 Ca 0.16 -1.03 -0.03 0.00 -2.93 0.00 0.00 61.98 58.15 2j04 s VAL 519 Cb 0.01 -1.30 -0.03 0.00 -1.53 0.00 0.00 36.38 33.52 2j04 s VAL 519 CO 0.02 0.24 0.03 -0.89 -3.33 0.00 0.00 175.10 171.17 2j04 s THR 520 N -0.68 4.57 0.52 5.04 2.01 -1.26 -0.99 115.64 124.84 2j04 s THR 520 Ca 0.06 -0.15 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 2j04 s THR 520 Cb -0.08 -2.94 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 2j04 s THR 520 CO 0.01 0.61 0.80 -0.94 -0.69 0.00 0.00 174.62 174.41 2j04 s SER 521 N -0.90 5.84 0.39 3.53 1.04 -0.22 -4.72 113.70 118.67 2j04 s SER 521 Ca 0.13 0.65 0.21 0.00 0.48 0.00 0.00 55.95 57.42 2j04 s SER 521 Cb -0.11 -1.80 1.19 0.00 0.10 0.00 0.00 66.02 65.40 2j04 s SER 521 CO 0.03 -0.82 1.69 0.00 0.98 0.00 0.00 173.24 175.11 2j04 h THR 522 N 0.10 0.33 -0.43 2.02 1.03 -1.62 0.13 112.91 114.47 2j04 h THR 522 Ca -0.46 -0.10 0.00 0.00 -0.01 0.00 0.00 66.41 65.84 2j04 h THR 522 Cb 1.24 0.02 0.00 0.00 -1.07 0.00 0.00 68.15 68.35 2j04 h THR 522 CO 0.60 0.05 0.00 0.35 -0.01 0.00 0.00 175.52 176.51 2j04 n THR 523 N -4.78 0.81 -1.76 0.00 -2.24 -1.26 -4.93 114.28 100.12 2j04 n THR 523 Ca 0.31 -0.65 -0.08 0.00 -2.27 0.00 0.00 64.05 61.36 2j04 n THR 523 Cb 1.08 0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.47 2j04 n THR 523 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2j04 n ASN 524 N 0.74 -3.35 -4.66 3.42 5.15 0.45 -5.02 115.26 111.98 2j04 n ASN 524 Ca 0.15 0.08 -0.36 0.00 -0.60 0.00 0.00 54.58 53.86 2j04 n ASN 524 Cb 0.46 -2.19 -0.09 0.00 -0.53 0.00 0.00 39.78 37.43 2j04 n ASN 524 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2j04 s ASN 525 N -2.75 6.00 -0.17 1.20 0.01 -1.26 -4.81 114.94 113.17 2j04 s ASN 525 Ca 0.00 0.12 -0.12 0.00 -0.71 0.00 0.00 52.86 52.15 2j04 s ASN 525 Cb 0.00 -2.07 -0.05 0.00 0.41 0.00 0.00 41.25 39.55 2j04 s ASN 525 CO 0.00 0.11 0.23 0.28 -1.51 0.00 0.00 177.10 176.21 2j04 s THR 526 N 0.77 5.34 0.30 1.60 -1.32 -1.26 -1.06 115.64 120.01 2j04 s THR 526 Ca 0.07 0.42 0.11 0.00 -1.21 0.00 0.00 61.69 61.07 2j04 s THR 526 Cb -0.13 -3.57 -0.05 0.00 -1.51 0.00 0.00 72.50 67.24 2j04 s THR 526 CO 0.02 0.42 -0.11 0.26 -2.21 0.00 0.00 174.62 173.00 2j04 s TRP 527 N 0.31 2.42 0.80 9.09 0.52 -0.16 -4.98 118.94 126.95 2j04 s TRP 527 Ca 0.14 -0.36 -0.12 0.00 0.02 0.00 0.00 56.10 55.78 2j04 s TRP 527 Cb -0.12 -1.17 0.08 0.00 -1.15 0.00 0.00 33.47 31.10 2j04 s TRP 527 CO 0.02 0.64 1.17 0.15 0.02 0.00 0.00 176.95 178.95 2j04 s LYS 528 N -3.59 2.03 0.27 4.98 1.02 -1.26 -1.70 119.74 121.48 2j04 s LYS 528 Ca 0.31 0.12 0.07 0.00 0.02 0.00 0.00 55.97 56.50 2j04 s LYS 528 Cb -0.03 -1.96 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 2j04 s LYS 528 CO 0.17 -1.55 0.18 1.03 -0.92 0.00 0.00 175.35 174.26 2j04 s ARG 529 N -5.56 2.82 0.11 1.68 0.52 -1.10 0.23 118.95 117.66 2j04 s ARG 529 Ca 0.62 -1.14 -0.15 0.00 -0.52 0.00 0.00 55.73 54.54 2j04 s ARG 529 Cb -0.11 -2.50 -0.05 0.00 0.52 0.00 0.00 34.95 32.81 2j04 s ARG 529 CO 0.49 0.35 1.51 0.00 0.02 0.00 0.00 175.30 177.67 2j04 n GLY 531 N -0.14 2.83 0.11 0.00 0.00 -1.26 -3.91 105.19 102.82 2j04 n GLY 531 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2j04 n GLY 531 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2j04 n VAL 532 N -2.00 1.25 -0.06 1.61 0.31 -1.26 -4.78 118.33 113.39 2j04 n VAL 532 Ca 0.00 -0.52 -0.03 0.00 -0.01 0.00 0.00 64.34 63.78 2j04 n VAL 532 Cb 0.00 -1.16 -0.14 0.00 -0.91 0.00 0.00 33.84 31.63 2j04 n VAL 532 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2j04 n THR 533 N -3.06 0.81 -0.37 2.52 -1.04 -1.26 -4.97 114.28 106.91 2j04 n THR 533 Ca -0.37 -0.64 0.00 0.00 -2.04 0.00 0.00 64.05 61.00 2j04 n THR 533 Cb 0.94 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 2j04 n THR 533 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2j04 n LEU 534 N -2.49 0.21 -4.69 -4.42 4.77 -1.26 -4.60 117.00 104.52 2j04 n LEU 534 Ca -0.20 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.38 2j04 n LEU 534 Cb 0.88 -0.43 0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2j04 n LEU 534 CO 0.38 -0.11 0.82 0.18 -1.33 0.00 0.00 177.39 177.33 2j04 n LEU 535 N 0.00 4.28 -4.70 2.23 4.32 -1.26 -4.10 117.00 117.77 2j04 n LEU 535 Ca 0.00 1.00 -0.53 0.00 -0.02 0.00 0.00 56.01 56.46 2j04 n LEU 535 Cb 0.00 -1.49 -0.06 0.00 -1.62 0.00 0.00 43.42 40.25 2j04 n LEU 535 CO 0.00 -0.95 1.42 -2.65 -1.22 0.00 0.00 177.39 173.98 2j04 n PRO 536 N -0.48 1.69 -1.87 3.23 -0.02 -1.26 0.12 135.00 136.41 2j04 n PRO 536 Ca 0.09 0.62 -0.22 0.00 -2.02 0.00 0.00 63.50 61.97 2j04 n PRO 536 Cb 0.43 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 2j04 n PRO 536 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2j04 s ILE 537 N 3.83 3.28 -0.48 4.25 2.07 0.14 -4.61 121.20 129.68 2j04 s ILE 537 Ca 0.95 -0.22 0.05 0.00 -1.41 0.00 0.00 60.65 60.02 2j04 s ILE 537 Cb -0.87 -3.63 0.24 0.00 0.13 0.00 0.00 42.46 38.33 2j04 s ILE 537 CO 0.58 -0.60 0.92 0.18 -1.91 0.00 0.00 174.94 174.12 2j04 n LEU 538 N 15.69 -2.76 0.00 8.50 4.77 -1.26 -4.70 117.00 137.24 2j04 n LEU 538 Ca 0.42 -3.18 0.00 0.00 -0.03 0.00 0.00 56.01 53.22 2j04 n LEU 538 Cb 0.46 0.82 0.00 0.00 -2.33 0.00 0.00 43.42 42.36 2j04 n LEU 538 CO 0.58 1.96 0.00 1.07 -1.33 0.00 0.00 177.39 179.67 2j04 n THR 539 N 1.62 0.00 0.00 -5.08 5.66 -1.26 -4.50 114.28 110.72 2j04 n THR 539 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 2j04 n THR 539 Cb 0.64 -0.56 0.00 0.00 -1.55 0.00 0.00 70.33 68.86 2j04 n THR 539 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2j04 n THR 540 N -0.35 0.00 -3.89 1.09 -1.04 -1.26 -4.17 114.28 104.66 2j04 n THR 540 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 2j04 n THR 540 Cb 0.00 -0.02 -0.01 0.00 -1.82 0.00 0.00 70.33 68.48 2j04 n THR 540 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 2j04 s HIS 541 N -1.07 0.19 0.00 -1.42 -3.43 -1.26 -5.07 115.29 103.22 2j04 s HIS 541 Ca 0.00 -0.69 -0.00 0.00 -0.80 0.00 0.00 55.06 53.57 2j04 s HIS 541 Cb 0.00 0.58 -0.00 0.00 -1.43 0.00 0.00 32.58 31.72 2j04 s HIS 541 CO 0.00 -1.32 -0.00 0.14 -2.00 0.00 0.00 174.74 171.55 2j04 s VAL 542 N -3.17 0.02 0.44 -5.38 -7.23 -1.26 -2.16 120.40 101.65 2j04 s VAL 542 Ca 0.17 -0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 2j04 s VAL 542 Cb -0.04 -0.06 -0.01 0.00 0.56 0.00 0.00 36.38 36.84 2j04 s VAL 542 CO 0.11 -0.08 0.65 -0.54 -0.31 0.00 0.00 175.10 174.93 2j04 s LYS 543 N -0.25 3.14 -0.05 4.82 1.02 -0.37 -3.92 119.74 124.14 2j04 s LYS 543 Ca -0.03 -0.46 0.02 0.00 0.02 0.00 0.00 55.97 55.52 2j04 s LYS 543 Cb -0.02 -2.57 0.01 0.00 -0.52 0.00 0.00 37.83 34.73 2j04 s LYS 543 CO -0.00 -0.21 -0.09 0.42 -0.92 0.00 0.00 175.35 174.56 2j04 s ILE 544 N -2.52 0.84 -0.08 2.17 1.01 -0.85 -0.20 121.20 121.56 2j04 s ILE 544 Ca 0.47 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.50 2j04 s ILE 544 Cb -0.10 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 2j04 s ILE 544 CO 0.38 0.28 1.20 0.00 0.00 0.00 0.00 174.94 176.80 2j04 h PRO 546 N 7.59 0.00 0.00 0.00 0.11 -1.91 0.41 132.00 138.20 2j04 h PRO 546 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2j04 h PRO 546 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2j04 h PRO 546 CO 0.90 0.00 -0.44 0.28 -0.21 0.00 0.00 178.00 178.53 2j04 n VAL 547 N -2.97 0.98 0.20 3.15 0.31 -1.26 -4.53 118.33 114.20 2j04 n VAL 547 Ca 0.01 0.29 0.07 0.00 -0.01 0.00 0.00 64.34 64.70 2j04 n VAL 547 Cb 0.29 -2.10 0.38 0.00 -0.91 0.00 0.00 33.84 31.50 2j04 n VAL 547 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2j04 h SER 548 N -0.68 0.00 0.00 4.52 4.64 -1.93 -3.47 113.55 116.64 2j04 h SER 548 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2j04 h SER 548 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2j04 h SER 548 CO 0.00 0.33 0.00 0.29 -0.87 0.00 0.00 176.83 176.58 2j04 n LYS 549 N -3.51 -0.21 -1.64 4.77 4.01 0.14 -4.98 118.16 116.74 2j04 n LYS 549 Ca -0.00 0.05 -0.46 0.00 -0.51 0.00 0.00 58.31 57.39 2j04 n LYS 549 Cb 0.48 -3.50 -0.03 0.00 -0.51 0.00 0.00 35.03 31.46 2j04 n LYS 549 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 2j04 n GLN 550 N -1.82 1.73 -3.90 1.97 -0.06 -1.26 -4.71 117.38 109.33 2j04 n GLN 550 Ca 0.00 0.62 -0.35 0.00 -2.00 0.00 0.00 57.00 55.27 2j04 n GLN 550 Cb 0.05 -2.22 -0.09 0.00 -4.06 0.00 0.00 30.24 23.93 2j04 n GLN 550 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2j04 s ARG 551 N -0.41 4.03 -0.07 3.69 0.52 -1.26 -2.11 118.95 123.33 2j04 s ARG 551 Ca 0.70 -0.29 0.01 0.00 -0.52 0.00 0.00 55.73 55.62 2j04 s ARG 551 Cb -0.72 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 31.44 2j04 s ARG 551 CO 0.51 0.31 -0.07 0.08 0.02 0.00 0.00 175.30 176.15 2j04 s VAL 552 N 0.29 3.71 0.07 3.52 1.01 0.72 -4.30 120.40 125.41 2j04 s VAL 552 Ca 0.06 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 2j04 s VAL 552 Cb -0.12 -2.52 -0.09 0.00 0.00 0.00 0.00 36.38 33.65 2j04 s VAL 552 CO -0.01 0.59 1.90 -0.63 0.00 0.00 0.00 175.10 176.96 2j04 s ILE 553 N -0.72 2.86 -0.75 2.22 1.01 -1.26 -1.23 121.20 123.33 2j04 s ILE 553 Ca 0.11 0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.60 2j04 s ILE 553 Cb -0.11 -3.04 0.07 0.00 0.01 0.00 0.00 42.46 39.39 2j04 s ILE 553 CO 0.02 -0.00 1.08 -0.62 0.00 0.00 0.00 174.94 175.41 2j04 s ASP 554 N 3.74 6.28 0.26 3.58 2.15 -0.92 -4.86 116.67 126.90 2j04 s ASP 554 Ca 0.85 -1.15 -0.01 0.00 0.43 0.00 0.00 52.55 52.67 2j04 s ASP 554 Cb -0.44 -2.45 0.33 0.00 -0.30 0.00 0.00 42.92 40.07 2j04 s ASP 554 CO 0.39 -1.43 1.73 -0.29 -0.17 0.00 0.00 175.17 175.39 2j04 h ILE 555 N 6.02 1.25 0.00 4.11 2.10 -1.88 -1.35 117.51 127.77 2j04 h ILE 555 Ca -0.16 -1.13 0.00 0.00 1.08 0.00 0.00 64.86 64.64 2j04 h ILE 555 Cb 1.05 1.07 0.00 0.00 -1.09 0.00 0.00 36.82 37.86 2j04 h ILE 555 CO 1.20 0.38 0.02 0.11 -1.08 0.00 0.00 178.15 178.78 2j04 h LYS 556 N 0.63 0.00 -0.53 2.19 1.57 -1.91 0.27 116.57 118.80 2j04 h LYS 556 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2j04 h LYS 556 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2j04 h LYS 556 CO 0.04 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.46 2j04 n ARG 557 N -2.72 3.01 -3.71 3.15 5.12 -0.52 -4.84 116.66 116.15 2j04 n ARG 557 Ca -0.02 -2.49 -0.34 0.00 -1.93 0.00 0.00 57.85 53.07 2j04 n ARG 557 Cb 0.07 -1.54 -0.08 0.00 -1.16 0.00 0.00 32.46 29.75 2j04 n ARG 557 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2j04 s ASP 558 N -1.06 5.62 0.43 0.55 3.68 0.96 -4.62 116.67 122.22 2j04 s ASP 558 Ca 0.39 -3.60 0.19 0.00 2.13 0.00 0.00 52.55 51.66 2j04 s ASP 558 Cb 0.22 -1.84 0.96 0.00 -1.45 0.00 0.00 42.92 40.82 2j04 s ASP 558 CO 0.23 -0.19 1.90 0.44 0.13 0.00 0.00 175.17 177.67 2j04 h ASP 559 N 6.06 0.00 0.48 -0.34 5.19 -1.88 -3.38 116.42 122.55 2j04 h ASP 559 Ca 0.12 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.23 2j04 h ASP 559 Cb 0.83 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.34 2j04 h ASP 559 CO 0.80 0.27 -1.45 -0.07 -3.12 0.00 0.00 179.24 175.68 2j04 h LEU 560 N 0.00 0.44 -8.92 1.55 3.38 -1.88 -3.46 115.31 106.42 2j04 h LEU 560 Ca -0.00 -0.55 -0.63 0.00 0.09 0.00 0.00 57.88 56.78 2j04 h LEU 560 Cb 0.58 -0.14 -0.16 0.00 0.09 0.00 0.00 40.66 41.03 2j04 h LEU 560 CO 0.04 1.45 -0.34 0.20 0.09 0.00 0.00 178.44 179.87 2j04 s ASN 561 N -7.08 6.16 -1.21 -0.43 0.01 -1.26 -4.90 114.94 106.23 2j04 s ASN 561 Ca -0.08 0.16 -0.19 0.00 -0.71 0.00 0.00 52.86 52.03 2j04 s ASN 561 Cb 0.07 -2.18 -0.02 0.00 0.41 0.00 0.00 41.25 39.53 2j04 s ASN 561 CO 0.87 -0.14 1.91 -0.67 -1.51 0.00 0.00 177.10 177.56 2j04 n ASP 562 N 5.23 3.80 -4.73 -1.22 2.03 -1.26 -4.96 116.55 115.44 2j04 n ASP 562 Ca -0.10 -2.80 -0.41 0.00 0.52 0.00 0.00 54.79 51.99 2j04 n ASP 562 Cb 0.51 -1.63 -0.03 0.00 -0.72 0.00 0.00 41.12 39.25 2j04 n ASP 562 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2j04 s TYR 563 N 6.38 3.24 0.63 -0.67 1.51 -1.26 -4.81 117.35 122.36 2j04 s TYR 563 Ca 0.58 1.15 -0.11 0.00 -1.01 0.00 0.00 57.07 57.68 2j04 s TYR 563 Cb 0.06 -3.63 -0.03 0.00 -0.11 0.00 0.00 41.96 38.24 2j04 s TYR 563 CO 0.08 -2.04 1.04 0.20 -1.11 0.00 0.00 175.55 173.71 2j04 s GLY 564 N 0.51 1.65 0.24 0.71 0.00 -1.26 -4.61 107.32 104.56 2j04 s GLY 564 Ca 0.59 -0.13 0.11 0.00 0.00 0.00 0.00 44.72 45.28 2j04 s GLY 564 CO 0.37 0.15 1.05 -2.67 0.00 0.00 0.00 173.10 172.00 2j04 n TRP 565 N -2.78 0.68 0.01 1.90 4.27 -1.26 -0.56 117.44 119.71 2j04 n TRP 565 Ca 0.06 0.79 -0.01 0.00 -3.89 0.00 0.00 57.50 54.45 2j04 n TRP 565 Cb 0.54 -1.16 -0.01 0.00 -1.36 0.00 0.00 31.31 29.33 2j04 n TRP 565 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 2j04 h PHE 566 N 0.00 -0.07 -0.94 -2.67 3.57 -1.96 -1.40 116.94 113.48 2j04 h PHE 566 Ca 0.52 -0.00 0.21 0.00 3.53 0.00 0.00 57.97 62.23 2j04 h PHE 566 Cb 1.32 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 40.01 2j04 h PHE 566 CO -0.09 -0.04 0.61 0.00 -2.23 0.00 0.00 178.31 176.55 2j04 h THR 567 N -0.53 0.67 0.11 4.41 1.03 -1.71 -1.58 112.91 115.31 2j04 h THR 567 Ca -0.01 -0.16 -0.01 0.00 -0.01 0.00 0.00 66.41 66.23 2j04 h THR 567 Cb 0.06 0.16 0.00 0.00 -1.07 0.00 0.00 68.15 67.31 2j04 h THR 567 CO 0.01 0.08 -0.05 -0.09 -0.01 0.00 0.00 175.52 175.47 2j04 h ARG 568 N 0.46 -0.14 -1.33 0.00 2.43 -0.93 -2.52 114.38 112.36 2j04 h ARG 568 Ca 0.50 0.01 0.44 0.00 -0.81 0.00 0.00 59.98 60.12 2j04 h ARG 568 Cb 1.17 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 30.63 2j04 h ARG 568 CO -0.22 0.28 0.85 0.78 -1.51 0.00 0.00 179.97 180.15 2j04 h GLY 569 N -0.95 1.32 0.47 2.80 0.00 -0.91 -0.01 103.07 105.79 2j04 h GLY 569 Ca -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 2j04 h GLY 569 CO 0.02 -0.41 -0.15 1.41 0.00 0.00 0.00 176.54 177.41 2j04 h LEU 570 N 0.08 -0.35 -2.13 3.11 3.38 -1.34 -2.73 115.31 115.33 2j04 h LEU 570 Ca 0.83 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.61 2j04 h LEU 570 Cb 2.60 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 43.44 2j04 h LEU 570 CO -0.43 0.11 -0.06 -0.07 0.09 0.00 0.00 178.44 178.08 2j04 h LEU 571 N -0.96 0.00 0.13 1.67 3.38 -0.61 -0.39 115.31 118.54 2j04 h LEU 571 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2j04 h LEU 571 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2j04 h LEU 571 CO 0.07 0.06 -0.06 -0.33 0.09 0.00 0.00 178.44 178.27 2j04 h GLU 572 N 0.00 -0.17 -0.84 1.13 5.08 -1.23 -2.70 114.58 115.84 2j04 h GLU 572 Ca -0.00 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.58 2j04 h GLU 572 Cb 0.26 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 2j04 h GLU 572 CO 0.01 -0.06 0.58 -0.09 -1.00 0.00 0.00 179.01 178.45 2j04 h ARG 573 N -1.04 0.22 -0.33 2.33 9.65 -1.14 -1.45 114.38 122.63 2j04 h ARG 573 Ca -0.02 -0.01 -0.21 0.00 -1.10 0.00 0.00 59.98 58.64 2j04 h ARG 573 Cb 0.20 -0.05 -0.14 0.00 -1.39 0.00 0.00 29.97 28.59 2j04 h ARG 573 CO 0.03 0.15 -0.35 1.19 2.80 0.00 0.00 179.97 183.79 2j04 n PHE 574 N -4.42 1.10 0.24 2.20 3.01 -0.19 -4.57 117.46 114.84 2j04 n PHE 574 Ca 0.18 -1.76 0.09 0.00 1.01 0.00 0.00 57.45 56.97 2j04 n PHE 574 Cb 0.76 -0.41 0.60 0.00 -0.01 0.00 0.00 39.48 40.42 2j04 n PHE 574 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 2j04 h ASN 575 N 1.28 0.00 0.00 4.37 -1.24 -0.91 -3.34 115.58 115.73 2j04 h ASN 575 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.20 2j04 h ASN 575 Cb 1.35 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.40 2j04 h ASN 575 CO 0.37 0.16 -0.52 -0.62 -1.29 0.00 0.00 177.43 175.53 2j04 n GLU 576 N -3.99 2.88 -4.76 6.67 1.02 -1.26 -4.88 120.64 116.31 2j04 n GLU 576 Ca -0.02 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.79 2j04 n GLU 576 Cb 0.25 -0.76 -0.13 0.00 -0.02 0.00 0.00 31.44 30.78 2j04 n GLU 576 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 2j04 s ILE 577 N -1.04 3.25 0.18 -3.67 2.07 -1.26 -1.68 121.20 119.05 2j04 s ILE 577 Ca 0.00 -0.62 -0.30 0.00 -1.41 0.00 0.00 60.65 58.32 2j04 s ILE 577 Cb 0.00 -2.33 -0.08 0.00 0.13 0.00 0.00 42.46 40.18 2j04 s ILE 577 CO 0.00 0.56 1.26 -0.55 -1.91 0.00 0.00 174.94 174.30 2j04 s SER 578 N -0.22 6.98 0.39 4.50 0.15 0.13 -4.79 113.70 120.85 2j04 s SER 578 Ca 0.01 2.30 0.18 0.00 0.70 0.00 0.00 55.95 59.14 2j04 s SER 578 Cb -0.13 -2.61 0.78 0.00 -1.71 0.00 0.00 66.02 62.35 2j04 s SER 578 CO 0.03 -0.46 1.80 -0.37 1.20 0.00 0.00 173.24 175.43 2j04 h VAL 579 N 3.82 0.98 -0.07 4.45 -1.51 -1.92 -0.91 116.25 121.09 2j04 h VAL 579 Ca -0.44 -1.37 -0.09 0.00 -1.23 0.00 0.00 66.70 63.57 2j04 h VAL 579 Cb 1.21 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 32.18 2j04 h VAL 579 CO 0.77 0.35 -0.31 1.88 -1.23 0.00 0.00 177.57 179.03 2j04 h TYR 580 N 0.00 0.46 0.00 5.19 -1.99 -1.92 -3.41 116.97 115.30 2j04 h TYR 580 Ca -0.00 -0.20 0.00 0.00 2.00 0.00 0.00 58.73 60.53 2j04 h TYR 580 Cb 0.77 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.43 2j04 h TYR 580 CO 0.00 0.93 -0.65 0.00 -0.00 0.00 0.00 178.16 178.43 2j04 n GLY 582 N 1.69 0.45 3.86 0.00 0.00 -0.35 -4.06 105.19 106.80 2j04 n GLY 582 Ca 0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 2j04 n GLY 582 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2j04 s THR 583 N -2.00 4.31 0.08 2.61 -4.23 -1.26 -2.39 115.64 112.76 2j04 s THR 583 Ca 0.00 0.75 -0.22 0.00 -1.18 0.00 0.00 61.69 61.04 2j04 s THR 583 Cb 0.00 -3.69 -0.07 0.00 1.34 0.00 0.00 72.50 70.08 2j04 s THR 583 CO 0.00 -0.98 0.65 0.42 -0.54 0.00 0.00 174.62 174.17 2j04 s THR 584 N -3.19 4.68 0.38 3.99 -4.23 -1.26 -0.69 115.64 115.32 2j04 s THR 584 Ca 0.56 1.40 -0.26 0.00 -1.18 0.00 0.00 61.69 62.22 2j04 s THR 584 Cb -0.12 -3.99 -0.09 0.00 1.34 0.00 0.00 72.50 69.64 2j04 s THR 584 CO 0.54 0.49 1.14 -0.76 -0.54 0.00 0.00 174.62 175.49 2j04 s LEU 585 N -0.78 4.24 -0.17 4.79 1.43 -0.68 -4.70 118.68 122.81 2j04 s LEU 585 Ca 0.32 2.29 -0.07 0.00 -1.03 0.00 0.00 54.13 55.65 2j04 s LEU 585 Cb -0.20 -3.99 -0.04 0.00 0.03 0.00 0.00 46.19 41.99 2j04 s LEU 585 CO 0.21 -0.57 0.06 -1.61 0.23 0.00 0.00 176.35 174.66 2j04 s GLU 586 N -2.21 3.82 -0.10 1.70 2.02 -0.28 -4.81 118.70 118.83 2j04 s GLU 586 Ca 0.55 -0.34 -0.29 0.00 0.02 0.00 0.00 54.97 54.91 2j04 s GLU 586 Cb -0.30 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 2j04 s GLU 586 CO 0.37 0.36 1.58 0.08 0.02 0.00 0.00 175.26 177.67 2j04 s VAL 587 N 0.11 3.73 -2.33 2.63 1.01 -1.26 -2.02 120.40 122.28 2j04 s VAL 587 Ca 0.05 0.88 0.19 0.00 0.00 0.00 0.00 61.98 63.09 2j04 s VAL 587 Cb -0.12 -3.60 0.15 0.00 0.00 0.00 0.00 36.38 32.81 2j04 s VAL 587 CO 0.01 -0.11 1.09 1.15 0.00 0.00 0.00 175.10 177.23