#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddk s GLU 2 N 0.00 0.16 -0.34 1.61 2.56 0.93 -1.18 118.70 122.44 3ddk s GLU 2 Ca 0.00 0.37 -0.26 0.00 0.00 0.00 0.00 54.97 55.08 3ddk s GLU 2 Cb 0.00 -0.07 0.01 0.00 2.00 0.00 0.00 34.13 36.07 3ddk s GLU 2 CO 0.00 -0.12 0.92 0.42 -0.56 0.00 0.00 175.26 175.93 3ddk s ILE 3 N 0.83 4.62 -0.11 -3.70 1.01 -1.26 0.11 121.20 122.69 3ddk s ILE 3 Ca -0.06 1.30 0.16 0.00 0.00 0.00 0.00 60.65 62.05 3ddk s ILE 3 Cb -0.08 -4.31 -0.21 0.00 0.01 0.00 0.00 42.46 37.87 3ddk s ILE 3 CO -0.05 -0.46 0.54 -0.62 0.00 0.00 0.00 174.94 174.36 3ddk n GLU 4 N 6.66 0.65 -3.67 2.79 -0.58 -0.64 -4.96 120.64 120.88 3ddk n GLU 4 Ca 0.07 0.16 -0.10 0.00 -0.42 0.00 0.00 57.16 56.87 3ddk n GLU 4 Cb 0.48 -1.71 -0.09 0.00 -0.57 0.00 0.00 31.44 29.55 3ddk n GLU 4 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3ddk s PHE 5 N -2.74 -0.80 -0.06 -0.32 5.36 -1.22 -5.00 117.98 113.21 3ddk s PHE 5 Ca -0.06 1.68 -0.03 0.00 -0.96 0.00 0.00 56.93 57.57 3ddk s PHE 5 Cb 0.08 0.41 0.03 0.00 -0.34 0.00 0.00 43.02 43.21 3ddk s PHE 5 CO 0.83 -0.41 0.13 -1.50 -1.46 0.00 0.00 175.22 172.81 3ddk s ILE 6 N 1.30 -0.04 0.22 3.12 2.07 -1.26 -0.68 121.20 125.91 3ddk s ILE 6 Ca -0.08 0.16 -0.06 0.00 -1.41 0.00 0.00 60.65 59.26 3ddk s ILE 6 Cb -0.06 -0.22 -0.03 0.00 0.13 0.00 0.00 42.46 42.28 3ddk s ILE 6 CO -0.13 0.07 0.27 -1.83 -1.91 0.00 0.00 174.94 171.40 3ddk s GLU 7 N 1.04 1.33 0.24 3.50 -1.05 -0.93 -5.02 118.70 117.80 3ddk s GLU 7 Ca -0.08 -1.46 -0.30 0.00 -0.15 0.00 0.00 54.97 52.98 3ddk s GLU 7 Cb -0.10 0.35 -0.09 0.00 -0.44 0.00 0.00 34.13 33.84 3ddk s GLU 7 CO -0.05 -0.49 1.33 0.45 0.95 0.00 0.00 175.26 177.45 3ddk s SER 8 N -3.10 6.84 0.35 0.83 0.15 -1.26 -1.96 113.70 115.55 3ddk s SER 8 Ca 0.31 2.50 0.08 0.00 0.70 0.00 0.00 55.95 59.55 3ddk s SER 8 Cb 0.04 -2.62 0.78 0.00 -1.71 0.00 0.00 66.02 62.51 3ddk s SER 8 CO 0.10 -0.55 1.89 0.28 1.20 0.00 0.00 173.24 176.17 3ddk h SER 9 N 4.87 0.67 -0.20 5.45 0.02 -0.47 -2.43 113.55 121.47 3ddk h SER 9 Ca -0.46 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3ddk h SER 9 Cb 1.22 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 3ddk h SER 9 CO 0.75 0.37 0.12 0.07 -1.14 0.00 0.00 176.83 177.00 3ddk h LYS 10 N 0.73 0.28 0.00 3.45 2.10 -1.78 -1.70 116.57 119.64 3ddk h LYS 10 Ca 0.41 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 59.04 3ddk h LYS 10 Cb 0.57 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.84 3ddk h LYS 10 CO -0.17 0.20 -0.02 -0.44 -2.00 0.00 0.00 179.45 177.01 3ddk h ASP 11 N 0.28 0.00 -0.21 7.07 3.32 -1.77 -1.72 116.42 123.40 3ddk h ASP 11 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3ddk h ASP 11 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3ddk h ASP 11 CO -0.01 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 3ddk n ALA 12 N -2.18 2.36 -0.63 3.45 0.00 -0.72 -4.96 120.51 117.83 3ddk n ALA 12 Ca -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.54 3ddk n ALA 12 Cb 0.13 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3ddk n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ddk n GLY 13 N 0.78 0.70 3.75 0.00 0.00 -0.65 -5.04 105.19 104.73 3ddk n GLY 13 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3ddk n GLY 13 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ddk s PHE 14 N -2.14 3.61 0.67 1.61 0.40 -0.74 -4.99 117.98 116.41 3ddk s PHE 14 Ca 0.00 1.08 -0.12 0.00 -0.60 0.00 0.00 56.93 57.29 3ddk s PHE 14 Cb 0.00 -2.59 -0.00 0.00 0.51 0.00 0.00 43.02 40.94 3ddk s PHE 14 CO 0.00 0.27 1.06 -1.25 0.70 0.00 0.00 175.22 176.00 3ddk s PRO 15 N 0.18 3.02 0.33 0.24 0.04 -1.26 -3.58 135.00 133.96 3ddk s PRO 15 Ca 0.30 1.01 -0.29 0.00 0.04 0.00 0.00 61.00 62.06 3ddk s PRO 15 Cb -0.17 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 3ddk s PRO 15 CO 0.15 -1.04 1.26 0.08 0.04 0.00 0.00 177.00 177.49 3ddk s VAL 16 N -2.92 2.87 -0.28 -0.36 1.01 -1.26 -4.94 120.40 114.52 3ddk s VAL 16 Ca 0.59 0.87 -0.21 0.00 0.00 0.00 0.00 61.98 63.23 3ddk s VAL 16 Cb -0.14 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 3ddk s VAL 16 CO 0.51 0.20 0.67 -0.63 0.00 0.00 0.00 175.10 175.85 3ddk s ILE 17 N -1.16 4.92 -1.36 2.22 -1.09 0.62 -4.98 121.20 120.38 3ddk s ILE 17 Ca 0.49 1.06 -0.14 0.00 -2.23 0.00 0.00 60.65 59.83 3ddk s ILE 17 Cb -0.38 -4.01 0.09 0.00 -1.58 0.00 0.00 42.46 36.58 3ddk s ILE 17 CO 0.50 -0.09 1.97 0.59 -1.23 0.00 0.00 174.94 176.67 3ddk n ASN 18 N 5.88 4.50 -3.91 3.58 5.03 -1.26 -4.22 115.26 124.86 3ddk n ASN 18 Ca 0.00 -2.93 -0.30 0.00 0.87 0.00 0.00 54.58 52.23 3ddk n ASN 18 Cb 0.49 -1.64 0.25 0.00 -1.02 0.00 0.00 39.78 37.86 3ddk n ASN 18 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3ddk s THR 19 N 2.71 1.60 0.00 3.41 -4.23 -1.26 -5.02 115.64 112.85 3ddk s THR 19 Ca 0.47 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 3ddk s THR 19 Cb 0.09 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.59 3ddk s THR 19 CO -0.02 0.00 0.00 -0.81 -0.54 0.00 0.00 174.62 173.25 3ddk n PRO 20 N -4.93 2.58 0.17 3.99 -0.04 -1.26 -5.03 135.00 130.49 3ddk n PRO 20 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 3ddk n PRO 20 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 3ddk n PRO 20 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ddk n SER 21 N 0.00 -3.10 -4.92 3.54 3.41 -1.26 -5.11 113.62 106.18 3ddk n SER 21 Ca 0.00 0.72 -0.27 0.00 -0.26 0.00 0.00 58.87 59.05 3ddk n SER 21 Cb 0.00 3.00 -0.03 0.00 -0.26 0.00 0.00 64.21 66.92 3ddk n SER 21 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ddk s LYS 22 N -2.00 3.57 0.46 4.33 1.02 -1.26 -4.62 119.74 121.25 3ddk s LYS 22 Ca 0.00 -0.15 -0.20 0.00 0.02 0.00 0.00 55.97 55.64 3ddk s LYS 22 Cb 0.00 -2.71 -0.10 0.00 -0.52 0.00 0.00 37.83 34.50 3ddk s LYS 22 CO 0.00 0.26 0.97 -0.08 -0.92 0.00 0.00 175.35 175.58 3ddk s THR 23 N -2.06 4.30 -0.84 2.17 -1.32 -1.26 -4.95 115.64 111.69 3ddk s THR 23 Ca 0.42 1.36 0.26 0.00 -1.21 0.00 0.00 61.69 62.52 3ddk s THR 23 Cb -0.11 -3.59 0.17 0.00 -1.51 0.00 0.00 72.50 67.47 3ddk s THR 23 CO 0.31 -0.38 1.66 0.29 -2.21 0.00 0.00 174.62 174.29 3ddk n LYS 24 N -0.90 0.15 -2.59 7.08 5.02 -1.26 -4.82 118.16 120.85 3ddk n LYS 24 Ca 0.07 0.09 -0.42 0.00 -2.02 0.00 0.00 58.31 56.03 3ddk n LYS 24 Cb 0.54 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 3ddk n LYS 24 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ddk s LEU 25 N -3.76 4.25 0.13 -0.35 1.43 -1.26 -4.19 118.68 114.93 3ddk s LEU 25 Ca 0.11 1.65 0.05 0.00 -1.03 0.00 0.00 54.13 54.90 3ddk s LEU 25 Cb 0.15 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 3ddk s LEU 25 CO 0.62 -0.51 -0.11 -1.61 0.23 0.00 0.00 176.35 174.97 3ddk s GLU 26 N 2.15 1.00 0.31 1.70 0.41 -0.41 -4.94 118.70 118.91 3ddk s GLU 26 Ca 0.51 -1.32 -0.30 0.00 -0.41 0.00 0.00 54.97 53.46 3ddk s GLU 26 Cb -0.21 -0.68 -0.12 0.00 -1.78 0.00 0.00 34.13 31.35 3ddk s GLU 26 CO 0.19 0.10 1.54 -2.30 -0.49 0.00 0.00 175.26 174.30 3ddk n PRO 27 N 0.20 2.60 -2.68 0.39 -0.02 -1.26 -1.77 135.00 132.46 3ddk n PRO 27 Ca -0.13 0.92 -0.21 0.00 -2.02 0.00 0.00 63.50 62.06 3ddk n PRO 27 Cb 0.59 -2.67 0.05 0.00 -0.02 0.00 0.00 33.50 31.45 3ddk n PRO 27 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ddk s SER 28 N 0.28 5.13 0.12 2.55 1.04 -0.40 -4.78 113.70 117.63 3ddk s SER 28 Ca 0.61 -0.16 0.11 0.00 0.48 0.00 0.00 55.95 57.00 3ddk s SER 28 Cb -0.51 -0.63 0.56 0.00 0.10 0.00 0.00 66.02 65.53 3ddk s SER 28 CO 0.53 -1.25 1.35 1.33 0.98 0.00 0.00 173.24 176.18 3ddk n VAL 29 N -2.39 1.41 0.51 5.02 0.24 -1.26 -1.18 118.33 120.69 3ddk n VAL 29 Ca 0.10 0.49 0.12 0.00 -2.04 0.00 0.00 64.34 63.00 3ddk n VAL 29 Cb 0.60 -1.44 0.21 0.00 -1.47 0.00 0.00 33.84 31.74 3ddk n VAL 29 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3ddk n PHE 30 N -1.80 0.39 -0.28 6.34 3.01 -1.26 -4.54 117.46 119.32 3ddk n PHE 30 Ca 0.00 -0.19 0.08 0.00 1.01 0.00 0.00 57.45 58.36 3ddk n PHE 30 Cb 0.07 0.00 0.32 0.00 -0.01 0.00 0.00 39.48 39.86 3ddk n PHE 30 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3ddk h HIS 31 N 4.36 0.91 0.02 1.38 2.76 -1.31 -2.62 115.15 120.65 3ddk h HIS 31 Ca 0.00 0.03 -0.27 0.00 -2.20 0.00 0.00 60.37 57.93 3ddk h HIS 31 Cb 0.95 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 29.58 3ddk h HIS 31 CO 0.19 0.40 -1.46 1.96 -1.30 0.00 0.00 177.93 177.72 3ddk h GLN 32 N 0.83 0.04 -0.59 5.26 1.08 -1.82 -3.37 115.11 116.53 3ddk h GLN 32 Ca 0.42 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.51 3ddk h GLN 32 Cb 0.48 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.91 3ddk h GLN 32 CO -0.18 0.76 0.20 0.28 -0.95 0.00 0.00 178.83 178.93 3ddk h VAL 33 N 0.01 1.24 -2.60 -0.54 2.07 -1.76 -3.44 116.25 111.24 3ddk h VAL 33 Ca -0.19 -0.79 -0.56 0.00 0.82 0.00 0.00 66.70 65.97 3ddk h VAL 33 Cb 1.94 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 32.27 3ddk h VAL 33 CO 0.11 0.30 -0.57 -0.36 0.02 0.00 0.00 177.57 177.07 3ddk s PHE 34 N -5.45 3.09 0.28 1.57 0.08 -1.03 -5.09 117.98 111.43 3ddk s PHE 34 Ca -0.13 -0.06 -0.04 0.00 0.12 0.00 0.00 56.93 56.82 3ddk s PHE 34 Cb 0.13 -1.46 -0.05 0.00 -0.57 0.00 0.00 43.02 41.07 3ddk s PHE 34 CO 0.80 0.52 0.53 -1.21 -0.10 0.00 0.00 175.22 175.77 3ddk s GLU 35 N -3.27 3.61 -0.20 0.44 0.41 -1.26 -4.84 118.70 113.60 3ddk s GLU 35 Ca 0.31 -0.04 -0.34 0.00 -0.41 0.00 0.00 54.97 54.48 3ddk s GLU 35 Cb -0.09 -2.67 0.14 0.00 -1.78 0.00 0.00 34.13 29.73 3ddk s GLU 35 CO 0.23 0.23 1.21 0.20 -0.49 0.00 0.00 175.26 176.65 3ddk s GLY 36 N -3.18 -0.26 0.00 -1.39 0.00 -1.26 -4.44 107.32 96.78 3ddk s GLY 36 Ca 0.43 1.72 0.00 0.00 0.00 0.00 0.00 44.72 46.88 3ddk s GLY 36 CO 0.30 0.60 0.00 0.70 0.00 0.00 0.00 173.10 174.70 3ddk n ASN 37 N -0.00 3.33 -4.81 1.64 3.02 -1.26 -5.06 115.26 112.11 3ddk n ASN 37 Ca -0.00 -0.15 -0.33 0.00 -0.03 0.00 0.00 54.58 54.07 3ddk n ASN 37 Cb 0.58 0.97 -0.02 0.00 -0.61 0.00 0.00 39.78 40.71 3ddk n ASN 37 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3ddk s LYS 38 N -1.64 3.66 0.11 3.52 1.02 -1.26 -4.29 119.74 120.87 3ddk s LYS 38 Ca 0.00 1.18 -0.04 0.00 0.02 0.00 0.00 55.97 57.13 3ddk s LYS 38 Cb 0.00 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 3ddk s LYS 38 CO 0.00 -0.53 0.12 -1.21 -0.92 0.00 0.00 175.35 172.81 3ddk s GLU 39 N -3.79 0.90 0.33 1.68 2.02 -0.36 -4.86 118.70 114.62 3ddk s GLU 39 Ca 0.63 -1.24 -0.28 0.00 0.02 0.00 0.00 54.97 54.11 3ddk s GLU 39 Cb -0.14 0.29 -0.13 0.00 0.10 0.00 0.00 34.13 34.25 3ddk s GLU 39 CO 0.29 -0.27 1.23 -2.30 0.02 0.00 0.00 175.26 174.23 3ddk n PRO 40 N -0.07 1.96 -1.88 0.39 -0.02 -1.26 -0.23 135.00 133.88 3ddk n PRO 40 Ca -0.10 0.69 -0.35 0.00 -2.02 0.00 0.00 63.50 61.72 3ddk n PRO 40 Cb 0.63 -2.22 0.05 0.00 -0.02 0.00 0.00 33.50 31.93 3ddk n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ddk s ALA 41 N -1.08 2.46 0.24 3.55 0.00 0.10 -4.75 121.76 122.27 3ddk s ALA 41 Ca 0.56 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 53.15 3ddk s ALA 41 Cb -0.60 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 18.98 3ddk s ALA 41 CO 0.62 -1.31 1.50 0.08 0.00 0.00 0.00 175.76 176.65 3ddk s VAL 42 N -1.75 2.53 -0.06 0.00 1.01 -1.26 -4.85 120.40 116.01 3ddk s VAL 42 Ca 0.76 0.43 0.05 0.00 0.00 0.00 0.00 61.98 63.22 3ddk s VAL 42 Cb -0.29 -3.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.74 3ddk s VAL 42 CO 0.36 0.06 0.14 0.18 0.00 0.00 0.00 175.10 175.84 3ddk n LEU 43 N 2.67 0.05 -4.06 3.92 4.77 -1.26 -4.75 117.00 118.34 3ddk n LEU 43 Ca 0.09 -0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 3ddk n LEU 43 Cb 0.39 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.37 3ddk n LEU 43 CO 0.61 0.01 -0.39 0.00 -1.33 0.00 0.00 177.39 176.30 3ddk s ARG 44 N -2.19 0.53 0.30 3.23 1.70 -1.26 -4.96 118.95 116.29 3ddk s ARG 44 Ca -0.01 -0.84 0.05 0.00 -0.47 0.00 0.00 55.73 54.46 3ddk s ARG 44 Cb 0.04 -0.16 0.75 0.00 -0.57 0.00 0.00 34.95 35.00 3ddk s ARG 44 CO 0.22 0.01 1.73 0.77 -1.08 0.00 0.00 175.30 176.95 3ddk h SER 45 N 4.23 0.53 -0.05 -2.89 0.02 -1.98 -2.24 113.55 111.16 3ddk h SER 45 Ca -0.35 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3ddk h SER 45 Cb 1.19 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3ddk h SER 45 CO 0.46 0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 3ddk n GLY 46 N -1.32 -0.69 3.67 -3.77 0.00 -1.26 -4.81 105.19 97.01 3ddk n GLY 46 Ca 0.23 -0.13 -0.53 0.00 0.00 0.00 0.00 46.02 45.59 3ddk n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ddk n ASP 47 N -0.42 2.76 0.22 1.61 -0.08 -0.85 -4.81 116.55 114.99 3ddk n ASP 47 Ca 0.08 0.96 0.18 0.00 -1.51 0.00 0.00 54.79 54.50 3ddk n ASP 47 Cb 0.09 -1.24 0.82 0.00 2.34 0.00 0.00 41.12 43.13 3ddk n ASP 47 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3ddk h PRO 48 N 8.61 0.00 0.00 -0.67 0.11 -1.92 -0.87 132.00 137.25 3ddk h PRO 48 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ddk h PRO 48 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3ddk h PRO 48 CO 0.97 0.00 -0.13 0.54 -0.21 0.00 0.00 178.00 179.16 3ddk n ARG 49 N -3.42 0.13 -2.00 1.05 1.74 -1.26 -4.91 116.66 107.99 3ddk n ARG 49 Ca 0.02 0.09 -0.40 0.00 -0.77 0.00 0.00 57.85 56.78 3ddk n ARG 49 Cb 0.43 -1.63 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 3ddk n ARG 49 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ddk s LEU 50 N -3.68 4.33 -0.08 0.55 1.43 -0.33 -4.36 118.68 116.53 3ddk s LEU 50 Ca 0.12 2.79 0.19 0.00 -1.03 0.00 0.00 54.13 56.19 3ddk s LEU 50 Cb 0.16 -3.73 0.38 0.00 0.03 0.00 0.00 46.19 43.03 3ddk s LEU 50 CO 0.60 -0.74 1.17 0.29 0.23 0.00 0.00 176.35 177.90 3ddk n LYS 51 N 0.48 0.60 -3.80 1.70 5.02 0.70 -5.04 118.16 117.82 3ddk n LYS 51 Ca 0.01 -2.39 -0.04 0.00 -2.02 0.00 0.00 58.31 53.88 3ddk n LYS 51 Cb 0.42 -0.66 -0.00 0.00 -0.02 0.00 0.00 35.03 34.76 3ddk n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ddk s ALA 52 N -1.23 -1.51 -0.31 7.82 0.00 -1.22 -4.84 121.76 120.46 3ddk s ALA 52 Ca 0.32 -0.11 -0.27 0.00 0.00 0.00 0.00 51.96 51.91 3ddk s ALA 52 Cb 0.35 0.69 0.01 0.00 0.00 0.00 0.00 23.12 24.17 3ddk s ALA 52 CO -0.11 -1.04 0.97 1.21 0.00 0.00 0.00 175.76 176.78 3ddk s ASN 53 N -3.05 6.84 0.08 0.00 3.84 -1.26 -4.90 114.94 116.48 3ddk s ASN 53 Ca 0.15 0.92 -0.34 0.00 0.21 0.00 0.00 52.86 53.79 3ddk s ASN 53 Cb -0.02 -2.49 -0.18 0.00 -0.55 0.00 0.00 41.25 38.01 3ddk s ASN 53 CO 0.04 -0.77 1.60 0.15 -2.79 0.00 0.00 177.10 175.33 3ddk h PHE 54 N 8.07 -1.08 -0.63 0.43 3.57 -1.90 0.65 116.94 126.06 3ddk h PHE 54 Ca -0.22 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.40 3ddk h PHE 54 Cb 1.07 0.39 -0.11 0.00 2.79 0.00 0.00 35.95 40.09 3ddk h PHE 54 CO 0.81 -0.61 -0.02 1.49 -2.23 0.00 0.00 178.31 177.74 3ddk h GLU 55 N -1.01 0.09 -0.52 1.11 4.57 -1.93 0.31 114.58 117.21 3ddk h GLU 55 Ca -0.08 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.00 3ddk h GLU 55 Cb 0.81 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 3ddk h GLU 55 CO 0.08 0.06 -0.06 1.49 -1.18 0.00 0.00 179.01 179.40 3ddk h GLU 56 N 0.10 0.93 -0.21 1.92 4.81 -1.96 -3.20 114.58 116.97 3ddk h GLU 56 Ca 0.33 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3ddk h GLU 56 Cb 0.53 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3ddk h GLU 56 CO -0.56 0.96 0.02 0.00 -0.73 0.00 0.00 179.01 178.69 3ddk h ALA 57 N 1.08 0.28 0.00 2.92 0.00 0.11 -2.86 119.26 120.79 3ddk h ALA 57 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ddk h ALA 57 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ddk h ALA 57 CO 0.04 -0.03 0.00 -0.84 0.00 0.00 0.00 179.25 178.42 3ddk h ILE 58 N 0.13 0.00 -0.12 0.00 3.07 -1.13 -2.56 117.51 116.91 3ddk h ILE 58 Ca 0.06 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 66.20 3ddk h ILE 58 Cb 0.36 1.09 0.00 0.00 -0.27 0.00 0.00 36.82 38.00 3ddk h ILE 58 CO 0.01 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.60 3ddk n PHE 59 N -2.65 0.14 0.63 0.16 3.01 -1.19 -4.51 117.46 113.04 3ddk n PHE 59 Ca 0.00 -0.10 0.08 0.00 1.01 0.00 0.00 57.45 58.44 3ddk n PHE 59 Cb 0.21 -0.00 0.36 0.00 -0.01 0.00 0.00 39.48 40.03 3ddk n PHE 59 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3ddk n SER 60 N 0.90 0.00 0.20 4.37 3.41 -0.96 -2.48 113.62 119.06 3ddk n SER 60 Ca 0.11 0.29 0.07 0.00 -0.26 0.00 0.00 58.87 59.08 3ddk n SER 60 Cb 0.42 -0.40 0.39 0.00 -0.26 0.00 0.00 64.21 64.36 3ddk n SER 60 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3ddk h LYS 61 N 0.00 0.00 -5.61 4.33 1.57 -1.79 -3.35 116.57 111.72 3ddk h LYS 61 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3ddk h LYS 61 Cb 0.21 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 3ddk h LYS 61 CO 0.00 0.32 1.96 0.66 -0.57 0.00 0.00 179.45 181.82 3ddk n TYR 62 N -3.52 4.01 1.84 -1.35 4.02 -1.04 -4.22 117.16 116.92 3ddk n TYR 62 Ca -0.00 -2.45 0.15 0.00 -0.01 0.00 0.00 57.90 55.58 3ddk n TYR 62 Cb 0.47 -2.61 0.88 0.00 -0.02 0.00 0.00 39.34 38.06 3ddk n TYR 62 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 3ddk n ILE 63 N 6.69 0.00 0.00 -0.72 -5.35 -1.23 -4.78 119.36 113.98 3ddk n ILE 63 Ca 0.48 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.96 3ddk n ILE 63 Cb 0.46 -0.54 0.00 0.00 -1.74 0.00 0.00 39.64 37.82 3ddk n ILE 63 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ddk n GLY 64 N 0.86 -1.00 3.08 3.28 0.00 -0.32 -4.98 105.19 106.12 3ddk n GLY 64 Ca 0.22 -2.22 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 3ddk n GLY 64 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ddk s ASN 65 N -1.94 1.56 -0.54 1.61 0.01 -1.26 -1.68 114.94 112.69 3ddk s ASN 65 Ca 0.00 -0.24 -0.21 0.00 -0.71 0.00 0.00 52.86 51.70 3ddk s ASN 65 Cb 0.00 -0.25 0.06 0.00 0.41 0.00 0.00 41.25 41.47 3ddk s ASN 65 CO 0.00 0.14 0.74 0.68 -1.51 0.00 0.00 177.10 177.16 3ddk s VAL 66 N -0.17 4.70 -0.18 1.60 -7.23 -1.26 -5.00 120.40 112.86 3ddk s VAL 66 Ca 0.03 -0.35 -0.29 0.00 -1.81 0.00 0.00 61.98 59.55 3ddk s VAL 66 Cb -0.07 -4.41 -0.01 0.00 0.56 0.00 0.00 36.38 32.45 3ddk s VAL 66 CO -0.00 -0.98 1.24 0.20 -0.31 0.00 0.00 175.10 175.25 3ddk s ASN 67 N 2.92 6.95 0.24 4.85 0.01 -1.26 -4.79 114.94 123.85 3ddk s ASN 67 Ca 0.19 1.62 -0.22 0.00 -0.71 0.00 0.00 52.86 53.74 3ddk s ASN 67 Cb -0.18 -2.54 0.04 0.00 0.41 0.00 0.00 41.25 38.98 3ddk s ASN 67 CO 0.13 -0.77 0.71 -0.89 -1.51 0.00 0.00 177.10 174.77 3ddk s THR 68 N 3.52 0.00 0.50 1.60 2.01 -1.26 -5.16 115.64 116.86 3ddk s THR 68 Ca 0.53 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.88 3ddk s THR 68 Cb -0.20 -1.74 0.04 0.00 0.01 0.00 0.00 72.50 70.61 3ddk s THR 68 CO 0.14 0.00 0.69 -1.38 -0.69 0.00 0.00 174.62 173.38 3ddk s HIS 69 N -3.82 2.49 -0.44 4.92 -3.43 -1.26 -4.68 115.29 109.08 3ddk s HIS 69 Ca 0.09 -0.34 -0.28 0.00 -0.80 0.00 0.00 55.06 53.72 3ddk s HIS 69 Cb -0.04 -2.50 -0.00 0.00 -1.43 0.00 0.00 32.58 28.61 3ddk s HIS 69 CO 0.02 -0.76 1.59 0.08 -2.00 0.00 0.00 174.74 173.66 3ddk s VAL 70 N -2.57 3.68 0.77 -5.38 1.01 -1.26 -4.99 120.40 111.67 3ddk s VAL 70 Ca 0.58 0.65 -0.13 0.00 0.00 0.00 0.00 61.98 63.08 3ddk s VAL 70 Cb -0.09 -4.04 0.18 0.00 0.00 0.00 0.00 36.38 32.44 3ddk s VAL 70 CO 0.36 -0.74 0.94 -0.90 0.00 0.00 0.00 175.10 174.76 3ddk n ASP 71 N 9.88 -0.43 0.10 3.32 5.68 -1.26 -4.84 116.55 129.00 3ddk n ASP 71 Ca 0.18 -1.26 0.02 0.00 -0.50 0.00 0.00 54.79 53.24 3ddk n ASP 71 Cb 0.48 -0.75 0.38 0.00 -1.14 0.00 0.00 41.12 40.09 3ddk n ASP 71 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3ddk h GLU 72 N 0.00 0.29 -0.31 0.11 4.11 -2.00 -2.41 114.58 114.37 3ddk h GLU 72 Ca -0.31 -0.06 -0.11 0.00 0.07 0.00 0.00 59.36 58.94 3ddk h GLU 72 Cb 0.89 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3ddk h GLU 72 CO 0.22 0.40 -0.24 1.88 0.07 0.00 0.00 179.01 181.34 3ddk h TYR 73 N 0.28 0.84 -0.64 2.06 -1.99 -1.93 -2.51 116.97 113.08 3ddk h TYR 73 Ca 0.06 -0.23 -0.05 0.00 2.00 0.00 0.00 58.73 60.50 3ddk h TYR 73 Cb 0.34 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.86 3ddk h TYR 73 CO 0.01 0.97 0.19 0.52 -0.00 0.00 0.00 178.16 179.84 3ddk h MET 74 N 0.47 0.98 -0.34 4.88 2.86 -1.84 -1.38 114.93 120.56 3ddk h MET 74 Ca 0.06 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3ddk h MET 74 Cb 0.79 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 3ddk h MET 74 CO 0.06 0.85 0.18 -0.07 1.06 0.00 0.00 176.91 178.99 3ddk h LEU 75 N 0.94 0.42 -0.50 1.22 3.38 -1.33 0.45 115.31 119.89 3ddk h LEU 75 Ca 0.21 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3ddk h LEU 75 Cb 0.29 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3ddk h LEU 75 CO -0.01 0.40 0.02 -0.08 0.09 0.00 0.00 178.44 178.86 3ddk h GLU 76 N 0.42 0.87 -0.30 1.13 4.81 -1.25 -1.48 114.58 118.78 3ddk h GLU 76 Ca 0.12 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 59.11 3ddk h GLU 76 Cb 0.07 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3ddk h GLU 76 CO -0.02 0.90 0.13 0.00 -0.73 0.00 0.00 179.01 179.29 3ddk h ALA 77 N 0.94 0.36 -0.51 2.92 0.00 -0.94 -0.07 119.26 121.96 3ddk h ALA 77 Ca 0.15 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ddk h ALA 77 Cb 0.49 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3ddk h ALA 77 CO 0.02 -0.26 0.33 0.28 0.00 0.00 0.00 179.25 179.62 3ddk h VAL 78 N 0.28 1.14 -0.21 0.00 2.07 -0.76 -0.96 116.25 117.81 3ddk h VAL 78 Ca 0.13 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.40 3ddk h VAL 78 Cb 0.07 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3ddk h VAL 78 CO -0.11 0.14 0.01 0.44 0.02 0.00 0.00 177.57 178.07 3ddk h ASP 79 N 0.69 -0.07 -0.13 0.57 5.19 -0.72 0.42 116.42 122.38 3ddk h ASP 79 Ca 0.19 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 3ddk h ASP 79 Cb -0.05 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 3ddk h ASP 79 CO -0.04 -0.01 0.04 -0.74 -3.12 0.00 0.00 179.24 175.38 3ddk h HIS 80 N 0.08 0.20 -0.56 4.55 2.76 -0.81 -0.75 115.15 120.62 3ddk h HIS 80 Ca 0.10 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 3ddk h HIS 80 Cb 0.12 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 3ddk h HIS 80 CO -0.17 0.31 0.27 -0.92 -1.30 0.00 0.00 177.93 176.12 3ddk h TYR 81 N 0.03 0.80 -0.36 5.26 3.20 -0.98 -1.74 116.97 123.18 3ddk h TYR 81 Ca 0.04 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 3ddk h TYR 81 Cb 0.20 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3ddk h TYR 81 CO -0.01 0.62 0.20 0.00 -1.64 0.00 0.00 178.16 177.34 3ddk h ALA 82 N 1.10 1.68 -0.84 1.82 0.00 -0.03 -0.97 119.26 122.03 3ddk h ALA 82 Ca 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3ddk h ALA 82 Cb 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3ddk h ALA 82 CO -0.02 0.27 0.46 0.78 0.00 0.00 0.00 179.25 180.74 3ddk h GLY 83 N 0.55 1.25 0.79 0.00 0.00 -0.24 -1.95 103.07 103.47 3ddk h GLY 83 Ca 0.13 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 3ddk h GLY 83 CO -0.02 0.54 0.02 1.46 0.00 0.00 0.00 176.54 178.54 3ddk h GLN 84 N 1.16 0.17 -0.07 4.80 4.20 -0.79 -3.19 115.11 121.39 3ddk h GLN 84 Ca 0.29 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 3ddk h GLN 84 Cb 0.03 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3ddk h GLN 84 CO -0.05 0.38 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.33 3ddk h LEU 85 N -0.06 0.09 -1.71 1.46 3.38 -1.21 -2.55 115.31 114.71 3ddk h LEU 85 Ca 0.03 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3ddk h LEU 85 Cb 0.29 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3ddk h LEU 85 CO 0.00 0.21 0.32 0.00 0.09 0.00 0.00 178.44 179.06 3ddk h ALA 86 N 1.81 2.01 0.00 1.53 0.00 -1.34 -0.20 119.26 123.07 3ddk h ALA 86 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ddk h ALA 86 Cb 0.24 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ddk h ALA 86 CO 0.01 -0.10 -0.02 1.15 0.00 0.00 0.00 179.25 180.29 3ddk h THR 87 N 0.34 0.64 0.00 0.00 2.02 -1.56 -2.14 112.91 112.21 3ddk h THR 87 Ca 0.22 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.30 3ddk h THR 87 Cb 0.41 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3ddk h THR 87 CO -0.05 0.02 -0.05 0.18 0.37 0.00 0.00 175.52 175.99 3ddk n LEU 88 N -3.96 0.71 -3.48 2.58 4.77 -0.09 -4.97 117.00 112.58 3ddk n LEU 88 Ca -0.03 0.54 -0.22 0.00 -0.03 0.00 0.00 56.01 56.27 3ddk n LEU 88 Cb 0.11 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 40.91 3ddk n LEU 88 CO 0.29 -0.15 0.00 0.47 -1.33 0.00 0.00 177.39 176.68 3ddk n ASP 89 N -2.16 -6.04 -4.69 -1.43 9.92 -0.80 -4.91 116.55 106.44 3ddk n ASP 89 Ca 0.06 -0.80 -0.42 0.00 -0.53 0.00 0.00 54.79 53.09 3ddk n ASP 89 Cb 0.42 -4.09 -0.03 0.00 -0.64 0.00 0.00 41.12 36.78 3ddk n ASP 89 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3ddk s ILE 90 N -3.35 4.39 -0.12 0.53 1.01 -1.26 -5.00 121.20 117.40 3ddk s ILE 90 Ca 0.39 1.70 -0.29 0.00 0.00 0.00 0.00 60.65 62.44 3ddk s ILE 90 Cb -0.11 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 3ddk s ILE 90 CO 0.81 0.01 1.13 -0.55 0.00 0.00 0.00 174.94 176.34 3ddk s SER 91 N 1.34 7.10 0.00 3.58 0.15 -1.26 -4.89 113.70 119.71 3ddk s SER 91 Ca 0.54 1.63 0.16 0.00 0.70 0.00 0.00 55.95 58.98 3ddk s SER 91 Cb -0.23 -2.55 0.49 0.00 -1.71 0.00 0.00 66.02 62.02 3ddk s SER 91 CO 0.22 -0.59 1.39 0.35 1.20 0.00 0.00 173.24 175.80 3ddk n THR 92 N 4.87 0.43 -2.55 6.45 -2.24 -1.26 -4.44 114.28 115.54 3ddk n THR 92 Ca 0.11 -0.48 -0.39 0.00 -2.27 0.00 0.00 64.05 61.01 3ddk n THR 92 Cb 0.47 0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.99 3ddk n THR 92 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ddk s GLU 93 N -1.57 4.57 0.70 -0.78 0.41 -1.26 -4.93 118.70 115.83 3ddk s GLU 93 Ca 0.29 1.67 -0.16 0.00 -0.41 0.00 0.00 54.97 56.36 3ddk s GLU 93 Cb 0.16 -3.05 0.01 0.00 -1.78 0.00 0.00 34.13 29.46 3ddk s GLU 93 CO 0.22 0.19 1.13 -2.30 -0.49 0.00 0.00 175.26 174.01 3ddk n PRO 94 N 0.94 0.72 -3.46 0.39 -0.02 -1.26 -4.71 135.00 127.60 3ddk n PRO 94 Ca 0.00 0.31 -0.38 0.00 -2.02 0.00 0.00 63.50 61.41 3ddk n PRO 94 Cb 0.46 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 3ddk n PRO 94 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3ddk s MET 95 N -3.42 4.04 0.32 -0.52 1.75 0.10 -5.01 119.30 116.56 3ddk s MET 95 Ca 0.77 0.40 -0.29 0.00 -1.25 0.00 0.00 55.69 55.33 3ddk s MET 95 Cb -0.36 -3.28 -0.11 0.00 2.84 0.00 0.00 34.83 33.92 3ddk s MET 95 CO 0.46 0.54 1.44 -1.59 -0.65 0.00 0.00 175.02 175.23 3ddk s LYS 96 N -0.59 4.22 0.27 4.11 -2.85 -1.26 -4.67 119.74 118.96 3ddk s LYS 96 Ca 0.24 2.41 -0.05 0.00 -1.00 0.00 0.00 55.97 57.57 3ddk s LYS 96 Cb -0.16 -3.04 0.52 0.00 -2.06 0.00 0.00 37.83 33.08 3ddk s LYS 96 CO 0.12 -0.43 1.46 -0.11 0.10 0.00 0.00 175.35 176.49 3ddk n LEU 97 N 1.33 -0.27 -0.17 2.77 7.94 -1.26 -0.76 117.00 126.58 3ddk n LEU 97 Ca 0.03 1.60 -0.00 0.00 -1.11 0.00 0.00 56.01 56.53 3ddk n LEU 97 Cb 0.40 -0.51 0.24 0.00 0.53 0.00 0.00 43.42 44.08 3ddk n LEU 97 CO 0.62 -1.56 1.14 -0.08 -1.11 0.00 0.00 177.39 176.40 3ddk h GLU 98 N 0.00 0.90 -0.17 1.96 4.81 -1.96 -0.00 114.58 120.11 3ddk h GLU 98 Ca 0.48 -0.10 -0.14 0.00 -0.13 0.00 0.00 59.36 59.47 3ddk h GLU 98 Cb 0.83 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.03 3ddk h GLU 98 CO -0.93 0.66 -0.45 -0.44 -0.73 0.00 0.00 179.01 177.11 3ddk h ASP 99 N 0.90 0.70 0.90 1.04 3.32 -1.18 -0.62 116.42 121.48 3ddk h ASP 99 Ca 0.23 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3ddk h ASP 99 Cb 0.03 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3ddk h ASP 99 CO -0.04 1.15 0.00 0.00 -1.72 0.00 0.00 179.24 178.64 3ddk h ALA 100 N 0.56 1.00 0.00 3.45 0.00 -0.97 -2.88 119.26 120.42 3ddk h ALA 100 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 3ddk h ALA 100 Cb 1.07 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 3ddk h ALA 100 CO 0.10 0.00 -2.00 0.28 0.00 0.00 0.00 179.25 177.63 3ddk n VAL 101 N -3.08 1.00 -0.07 0.00 0.31 -0.05 -4.58 118.33 111.86 3ddk n VAL 101 Ca 0.00 -0.34 0.09 0.00 -0.01 0.00 0.00 64.34 64.08 3ddk n VAL 101 Cb 0.28 -1.30 0.22 0.00 -0.91 0.00 0.00 33.84 32.13 3ddk n VAL 101 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3ddk n TYR 102 N -3.25 0.61 0.00 3.52 4.02 -0.24 -1.24 117.16 120.58 3ddk n TYR 102 Ca -0.32 -0.40 0.00 0.00 -0.01 0.00 0.00 57.90 57.17 3ddk n TYR 102 Cb 0.81 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.12 3ddk n TYR 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ddk n GLY 103 N 1.16 2.75 3.61 2.72 0.00 -1.09 -4.47 105.19 109.87 3ddk n GLY 103 Ca 0.18 -1.84 -0.01 0.00 0.00 0.00 0.00 46.02 44.34 3ddk n GLY 103 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ddk s THR 104 N -2.50 0.00 0.20 2.61 -1.32 -0.99 -4.53 115.64 109.10 3ddk s THR 104 Ca 0.00 -0.03 -0.31 0.00 -1.21 0.00 0.00 61.69 60.14 3ddk s THR 104 Cb 0.00 -1.32 -0.10 0.00 -1.51 0.00 0.00 72.50 69.57 3ddk s THR 104 CO 0.00 0.00 1.48 -1.83 -2.21 0.00 0.00 174.62 172.06 3ddk s GLU 105 N -2.20 4.25 0.00 7.08 -1.05 -1.26 -1.81 118.70 123.72 3ddk s GLU 105 Ca 0.12 2.29 0.00 0.00 -0.15 0.00 0.00 54.97 57.23 3ddk s GLU 105 Cb 0.01 -3.15 0.00 0.00 -0.44 0.00 0.00 34.13 30.56 3ddk s GLU 105 CO -0.04 -0.50 0.00 0.41 0.95 0.00 0.00 175.26 176.08 3ddk n GLY 106 N 2.99 1.27 2.80 -3.83 0.00 -1.26 -4.94 105.19 102.22 3ddk n GLY 106 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 3ddk n GLY 106 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ddk s LEU 107 N 0.00 -0.34 0.61 0.99 2.96 -0.75 -3.91 118.68 118.23 3ddk s LEU 107 Ca 0.00 -0.88 -0.18 0.00 -0.22 0.00 0.00 54.13 52.85 3ddk s LEU 107 Cb 0.00 0.68 -0.05 0.00 0.50 0.00 0.00 46.19 47.33 3ddk s LEU 107 CO 0.00 -0.34 0.95 -0.62 -1.32 0.00 0.00 176.35 175.02 3ddk n GLU 108 N 5.04 0.86 -1.20 1.98 1.02 -1.26 -2.35 120.64 124.72 3ddk n GLU 108 Ca 0.02 0.34 -0.34 0.00 -0.02 0.00 0.00 57.16 57.16 3ddk n GLU 108 Cb 0.47 -2.16 0.12 0.00 -0.02 0.00 0.00 31.44 29.85 3ddk n GLU 108 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ddk n ALA 109 N -1.78 0.09 -1.69 0.62 0.00 -1.26 -4.61 120.51 111.87 3ddk n ALA 109 Ca 0.14 -0.28 -0.44 0.00 0.00 0.00 0.00 53.44 52.85 3ddk n ALA 109 Cb 0.48 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.64 3ddk n ALA 109 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3ddk n LEU 110 N -2.99 3.44 -4.64 0.00 0.00 -0.37 -4.86 117.00 107.58 3ddk n LEU 110 Ca 0.14 1.08 -0.42 0.00 0.00 0.00 0.00 56.01 56.81 3ddk n LEU 110 Cb 0.50 -1.48 -0.03 0.00 0.00 0.00 0.00 43.42 42.41 3ddk n LEU 110 CO 0.48 -0.14 1.61 -0.62 0.00 0.00 0.00 177.39 178.73 3ddk s ASP 111 N 0.92 6.17 0.00 1.96 -1.08 -1.26 -4.84 116.67 118.54 3ddk s ASP 111 Ca 0.76 2.24 0.23 0.00 -0.52 0.00 0.00 52.55 55.26 3ddk s ASP 111 Cb -0.61 -2.53 1.02 0.00 -1.46 0.00 0.00 42.92 39.34 3ddk s ASP 111 CO 0.38 -1.34 1.70 0.18 0.52 0.00 0.00 175.17 176.61 3ddk n LEU 112 N 8.85 1.07 -0.05 -1.34 4.77 -1.26 -3.76 117.00 125.27 3ddk n LEU 112 Ca 0.22 -0.42 -0.06 0.00 -0.03 0.00 0.00 56.01 55.72 3ddk n LEU 112 Cb 0.43 -0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.33 3ddk n LEU 112 CO 0.66 0.21 -0.83 0.41 -1.33 0.00 0.00 177.39 176.51 3ddk n THR 113 N -0.11 1.28 -2.01 -5.08 -1.04 -1.26 -4.46 114.28 101.61 3ddk n THR 113 Ca 0.17 -0.78 -0.29 0.00 -2.04 0.00 0.00 64.05 61.11 3ddk n THR 113 Cb 0.25 -0.60 0.06 0.00 -1.82 0.00 0.00 70.33 68.22 3ddk n THR 113 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3ddk s THR 114 N -2.68 2.76 0.40 12.58 -4.23 -1.25 -5.02 115.64 118.20 3ddk s THR 114 Ca -0.07 0.12 -0.26 0.00 -1.18 0.00 0.00 61.69 60.29 3ddk s THR 114 Cb 0.08 -3.22 -0.11 0.00 1.34 0.00 0.00 72.50 70.59 3ddk s THR 114 CO 0.83 -0.27 1.28 -0.24 -0.54 0.00 0.00 174.62 175.68 3ddk n SER 115 N -3.06 2.64 -0.08 3.99 2.88 -1.26 -4.74 113.62 114.00 3ddk n SER 115 Ca 0.07 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 58.89 3ddk n SER 115 Cb 0.59 -1.50 0.54 0.00 -0.75 0.00 0.00 64.21 63.09 3ddk n SER 115 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ddk n ALA 116 N -0.04 2.83 -0.42 -1.46 0.00 -1.26 -4.83 120.51 115.33 3ddk n ALA 116 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3ddk n ALA 116 Cb 0.39 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3ddk n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ddk n GLY 117 N 1.36 -1.39 3.78 0.00 0.00 -1.26 -0.57 105.19 107.11 3ddk n GLY 117 Ca 0.11 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 3ddk n GLY 117 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ddk s TYR 118 N 0.00 3.73 -1.28 1.61 5.04 -1.26 -1.13 117.35 124.06 3ddk s TYR 118 Ca 0.00 1.80 0.25 0.00 -2.44 0.00 0.00 57.07 56.68 3ddk s TYR 118 Cb 0.00 -2.93 0.45 0.00 0.35 0.00 0.00 41.96 39.83 3ddk s TYR 118 CO 0.00 0.24 1.37 -0.35 -1.34 0.00 0.00 175.55 175.47 3ddk n PRO 119 N 0.67 0.31 -0.35 4.97 -0.04 -1.26 -4.60 135.00 134.71 3ddk n PRO 119 Ca 0.01 -0.20 0.25 0.00 -0.04 0.00 0.00 63.50 63.53 3ddk n PRO 119 Cb 0.50 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.96 3ddk n PRO 119 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3ddk h TYR 120 N 0.49 0.86 0.00 0.54 -1.99 -1.80 0.50 116.97 115.57 3ddk h TYR 120 Ca 0.00 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.74 3ddk h TYR 120 Cb 0.52 -0.23 -0.00 0.00 2.00 0.00 0.00 36.73 39.02 3ddk h TYR 120 CO 0.00 -0.15 -0.12 -0.24 -0.00 0.00 0.00 178.16 177.65 3ddk h VAL 121 N 0.31 0.58 0.00 -2.88 3.04 -1.31 0.41 116.25 116.40 3ddk h VAL 121 Ca 0.73 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 65.89 3ddk h VAL 121 Cb 1.76 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 32.39 3ddk h VAL 121 CO -0.55 0.12 -0.92 0.00 -1.01 0.00 0.00 177.57 175.21 3ddk h ALA 122 N 1.88 0.53 -0.67 3.17 0.00 -0.30 -3.30 119.26 120.57 3ddk h ALA 122 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ddk h ALA 122 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ddk h ALA 122 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 3ddk n LEU 123 N -2.66 4.38 -1.32 0.00 4.77 -0.62 -4.93 117.00 116.62 3ddk n LEU 123 Ca 0.00 -2.26 -0.17 0.00 -0.03 0.00 0.00 56.01 53.55 3ddk n LEU 123 Cb 0.54 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 3ddk n LEU 123 CO 0.39 0.88 -0.16 0.61 -1.33 0.00 0.00 177.39 177.78 3ddk n GLY 124 N 1.30 1.65 3.65 -0.72 0.00 -0.61 -4.95 105.19 105.50 3ddk n GLY 124 Ca 0.25 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3ddk n GLY 124 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ddk s ILE 125 N -2.48 5.11 0.28 -0.61 1.01 0.04 -5.02 121.20 119.53 3ddk s ILE 125 Ca 0.00 0.88 0.05 0.00 0.00 0.00 0.00 60.65 61.57 3ddk s ILE 125 Cb 0.00 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 3ddk s ILE 125 CO 0.00 0.16 0.41 -0.54 0.00 0.00 0.00 174.94 174.97 3ddk s LYS 126 N 1.81 3.37 0.27 2.79 1.02 -1.26 -4.28 119.74 123.47 3ddk s LYS 126 Ca 0.22 -0.76 -0.01 0.00 0.02 0.00 0.00 55.97 55.45 3ddk s LYS 126 Cb -0.15 -2.84 0.50 0.00 -0.52 0.00 0.00 37.83 34.81 3ddk s LYS 126 CO 0.09 0.31 1.82 0.87 -0.92 0.00 0.00 175.35 177.52 3ddk h LYS 127 N 1.05 0.87 0.00 1.68 1.57 -1.85 0.84 116.57 120.73 3ddk h LYS 127 Ca -0.50 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 3ddk h LYS 127 Cb 1.23 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3ddk h LYS 127 CO 0.59 0.57 0.00 0.07 -0.57 0.00 0.00 179.45 180.12 3ddk h ARG 128 N 0.89 0.00 0.00 3.15 0.11 -1.78 0.31 114.38 117.06 3ddk h ARG 128 Ca 0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.54 3ddk h ARG 128 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 3ddk h ARG 128 CO -0.27 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.55 3ddk n ASP 129 N -2.85 0.00 -0.01 0.08 8.00 0.29 -3.85 116.55 118.20 3ddk n ASP 129 Ca -0.00 0.29 -0.01 0.00 0.71 0.00 0.00 54.79 55.78 3ddk n ASP 129 Cb 0.21 -0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 40.87 3ddk n ASP 129 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3ddk n ILE 130 N -1.43 0.13 -4.42 0.53 5.41 -0.26 -4.98 119.36 114.35 3ddk n ILE 130 Ca 0.09 -0.07 -0.29 0.00 1.00 0.00 0.00 62.75 63.48 3ddk n ILE 130 Cb 0.30 -0.80 -0.13 0.00 -0.71 0.00 0.00 39.64 38.30 3ddk n ILE 130 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3ddk s LEU 131 N -4.54 2.43 -0.04 1.39 1.43 0.92 -4.34 118.68 115.92 3ddk s LEU 131 Ca -0.02 -0.67 -0.00 0.00 -1.03 0.00 0.00 54.13 52.41 3ddk s LEU 131 Cb 0.01 -1.33 0.03 0.00 0.03 0.00 0.00 46.19 44.92 3ddk s LEU 131 CO 0.07 0.19 0.01 -0.94 0.23 0.00 0.00 176.35 175.91 3ddk s SER 132 N -1.99 0.69 0.09 2.29 1.04 -1.26 -4.35 113.70 110.21 3ddk s SER 132 Ca 0.15 -0.02 -0.20 0.00 0.48 0.00 0.00 55.95 56.37 3ddk s SER 132 Cb -0.10 -0.23 -0.08 0.00 0.10 0.00 0.00 66.02 65.70 3ddk s SER 132 CO 0.07 -0.14 1.60 0.50 0.98 0.00 0.00 173.24 176.25 3ddk h LYS 133 N 7.60 0.34 0.00 4.02 3.64 -1.97 0.11 116.57 130.30 3ddk h LYS 133 Ca -0.34 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3ddk h LYS 133 Cb 1.13 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3ddk h LYS 133 CO 0.39 0.43 0.00 1.57 -2.27 0.00 0.00 179.45 179.57 3ddk h LYS 134 N 0.18 0.00 0.00 1.90 2.10 -2.03 -3.25 116.57 115.47 3ddk h LYS 134 Ca 0.07 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.55 3ddk h LYS 134 Cb 0.23 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.53 3ddk h LYS 134 CO -0.00 0.00 -1.78 2.41 -2.00 0.00 0.00 179.45 178.08 3ddk n THR 135 N -2.32 0.65 -2.25 0.07 -1.04 -1.17 -5.00 114.28 103.23 3ddk n THR 135 Ca 0.03 -0.47 -0.19 0.00 -2.04 0.00 0.00 64.05 61.38 3ddk n THR 135 Cb 0.28 -0.49 -0.02 0.00 -1.82 0.00 0.00 70.33 68.27 3ddk n THR 135 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3ddk n LYS 136 N -2.34 -1.74 -1.99 -2.82 5.02 0.38 -4.92 118.16 109.75 3ddk n LYS 136 Ca -0.16 0.95 -0.39 0.00 -2.02 0.00 0.00 58.31 56.69 3ddk n LYS 136 Cb 0.78 -5.54 0.00 0.00 -0.02 0.00 0.00 35.03 30.24 3ddk n LYS 136 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ddk s ASP 137 N -2.15 6.15 0.00 4.39 2.15 -1.26 -4.93 116.67 121.03 3ddk s ASP 137 Ca 0.00 2.71 0.00 0.00 0.43 0.00 0.00 52.55 55.69 3ddk s ASP 137 Cb 0.00 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 3ddk s ASP 137 CO 0.00 -0.96 0.45 0.18 -0.17 0.00 0.00 175.17 174.67 3ddk n LEU 138 N -0.02 0.74 -0.07 -1.34 4.77 -1.26 -4.64 117.00 115.18 3ddk n LEU 138 Ca 0.04 -0.74 -0.12 0.00 -0.03 0.00 0.00 56.01 55.16 3ddk n LEU 138 Cb 0.43 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 3ddk n LEU 138 CO 0.56 0.19 0.68 0.74 -1.33 0.00 0.00 177.39 178.23 3ddk h THR 139 N 0.76 1.30 -0.39 -5.08 2.02 -1.92 -0.61 112.91 108.99 3ddk h THR 139 Ca 0.00 -1.11 -0.12 0.00 0.77 0.00 0.00 66.41 65.96 3ddk h THR 139 Cb 0.40 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 3ddk h THR 139 CO 0.00 0.34 -0.21 0.11 0.37 0.00 0.00 175.52 176.12 3ddk h LYS 140 N 0.12 0.83 -0.11 6.66 1.57 -1.88 -1.75 116.57 122.02 3ddk h LYS 140 Ca 0.05 -0.37 0.03 0.00 -1.87 0.00 0.00 60.65 58.48 3ddk h LYS 140 Cb 0.55 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 3ddk h LYS 140 CO 0.03 1.01 -0.06 1.25 -0.57 0.00 0.00 179.45 181.11 3ddk h LEU 141 N 0.64 -0.19 -1.78 2.94 5.85 -1.74 0.18 115.31 121.22 3ddk h LEU 141 Ca 0.08 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3ddk h LEU 141 Cb 0.78 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3ddk h LEU 141 CO 0.06 -0.08 0.12 0.11 -0.34 0.00 0.00 178.44 178.31 3ddk h LYS 142 N -0.05 0.26 0.17 1.25 1.57 -1.06 0.44 116.57 119.16 3ddk h LYS 142 Ca 0.06 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3ddk h LYS 142 Cb 0.14 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3ddk h LYS 142 CO -0.14 0.19 -0.08 1.49 -0.57 0.00 0.00 179.45 180.33 3ddk h GLU 143 N 0.27 -0.22 -0.52 3.15 4.81 -0.18 -2.11 114.58 119.79 3ddk h GLU 143 Ca 0.07 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3ddk h GLU 143 Cb -0.01 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3ddk h GLU 143 CO -0.01 0.02 0.13 0.00 -0.73 0.00 0.00 179.01 178.41 3ddk h MET 145 N 0.72 0.03 -0.72 0.00 2.86 -0.94 -1.17 114.93 115.70 3ddk h MET 145 Ca 0.16 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.84 3ddk h MET 145 Cb 0.33 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 3ddk h MET 145 CO 0.00 0.14 0.45 -0.44 1.06 0.00 0.00 176.91 178.12 3ddk h ASP 146 N -0.10 0.72 0.75 1.22 3.32 -1.35 0.60 116.42 121.57 3ddk h ASP 146 Ca 0.01 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3ddk h ASP 146 Cb 0.13 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.54 3ddk h ASP 146 CO -0.00 0.48 -0.36 0.50 -1.72 0.00 0.00 179.24 178.14 3ddk h LYS 147 N 0.85 -0.97 0.00 3.56 3.64 -1.02 -3.33 116.57 119.30 3ddk h LYS 147 Ca 0.30 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 3ddk h LYS 147 Cb 0.07 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3ddk h LYS 147 CO -0.13 -0.64 -1.05 0.66 -2.27 0.00 0.00 179.45 176.02 3ddk n TYR 148 N -5.51 0.37 -4.45 1.91 4.02 -0.47 -5.08 117.16 107.96 3ddk n TYR 148 Ca -0.14 0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 3ddk n TYR 148 Cb 0.41 -0.53 0.00 0.00 -0.02 0.00 0.00 39.34 39.20 3ddk n TYR 148 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ddk n GLY 149 N 1.33 -0.64 2.66 2.72 0.00 0.21 -4.95 105.19 106.52 3ddk n GLY 149 Ca 0.01 -1.12 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 3ddk n GLY 149 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ddk n LEU 150 N 0.00 0.00 -3.64 0.99 4.77 -1.26 -4.73 117.00 113.12 3ddk n LEU 150 Ca 0.00 -1.97 -0.24 0.00 -0.03 0.00 0.00 56.01 53.77 3ddk n LEU 150 Cb 0.00 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3ddk n LEU 150 CO 0.00 -0.50 0.15 0.59 -1.33 0.00 0.00 177.39 176.30 3ddk n ASN 151 N -1.95 -4.47 -4.93 -1.43 3.02 -1.26 -5.00 115.26 99.24 3ddk n ASN 151 Ca -0.00 -0.64 -0.25 0.00 -0.03 0.00 0.00 54.58 53.65 3ddk n ASN 151 Cb 0.43 -4.69 0.03 0.00 -0.61 0.00 0.00 39.78 34.94 3ddk n ASN 151 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ddk s LEU 152 N -7.03 3.37 0.86 3.41 1.43 -1.26 -5.05 118.68 114.41 3ddk s LEU 152 Ca 0.41 0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 53.91 3ddk s LEU 152 Cb -0.19 -3.36 0.11 0.00 0.03 0.00 0.00 46.19 42.79 3ddk s LEU 152 CO 0.76 -0.96 1.16 -2.84 0.23 0.00 0.00 176.35 174.70 3ddk s PRO 153 N -4.83 1.40 0.08 1.29 0.02 -1.26 -4.82 135.00 126.87 3ddk s PRO 153 Ca 0.52 1.56 0.02 0.00 0.02 0.00 0.00 61.00 63.11 3ddk s PRO 153 Cb -0.10 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.61 3ddk s PRO 153 CO 0.42 -2.35 0.16 -1.64 -0.33 0.00 0.00 177.00 173.26 3ddk s MET 154 N -4.52 3.19 -0.23 5.54 -1.94 0.11 -4.37 119.30 117.09 3ddk s MET 154 Ca 0.68 -0.56 -0.09 0.00 -1.71 0.00 0.00 55.69 54.01 3ddk s MET 154 Cb -0.24 -2.90 -0.04 0.00 2.01 0.00 0.00 34.83 33.67 3ddk s MET 154 CO 0.55 0.58 0.11 0.08 -0.01 0.00 0.00 175.02 176.33 3ddk s VAL 155 N -1.48 4.90 -0.19 -6.03 1.01 -0.34 -0.69 120.40 117.58 3ddk s VAL 155 Ca 0.32 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.18 3ddk s VAL 155 Cb -0.12 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3ddk s VAL 155 CO 0.25 0.37 0.33 -0.89 0.00 0.00 0.00 175.10 175.16 3ddk s THR 156 N 1.09 5.26 0.20 3.92 2.01 -0.35 0.32 115.64 128.09 3ddk s THR 156 Ca 0.06 0.59 0.09 0.00 0.31 0.00 0.00 61.69 62.73 3ddk s THR 156 Cb -0.14 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 3ddk s THR 156 CO 0.04 0.32 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.81 3ddk s TYR 157 N 0.93 1.84 -0.12 4.92 1.51 -0.19 -4.52 117.35 121.71 3ddk s TYR 157 Ca 0.17 -0.49 -0.19 0.00 -1.01 0.00 0.00 57.07 55.55 3ddk s TYR 157 Cb -0.14 -0.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.80 3ddk s TYR 157 CO 0.06 0.40 0.51 0.08 -1.11 0.00 0.00 175.55 175.48 3ddk s VAL 158 N -2.51 5.17 -0.04 0.71 1.01 -1.26 -0.88 120.40 122.59 3ddk s VAL 158 Ca 0.21 1.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 3ddk s VAL 158 Cb -0.03 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 3ddk s VAL 158 CO 0.08 0.31 1.57 -0.75 0.00 0.00 0.00 175.10 176.31 3ddk s LYS 159 N 0.70 4.20 -0.82 2.72 2.20 0.12 -4.91 119.74 123.95 3ddk s LYS 159 Ca 0.27 2.12 -0.22 0.00 -0.36 0.00 0.00 55.97 57.78 3ddk s LYS 159 Cb -0.15 -3.85 0.08 0.00 -1.51 0.00 0.00 37.83 32.40 3ddk s LYS 159 CO 0.11 -0.78 1.14 0.34 -0.36 0.00 0.00 175.35 175.81 3ddk s ASP 160 N 2.86 6.38 0.23 1.43 -1.08 -1.26 -4.62 116.67 120.61 3ddk s ASP 160 Ca 0.70 -1.37 -0.09 0.00 -0.52 0.00 0.00 52.55 51.27 3ddk s ASP 160 Cb -0.33 -2.46 -0.01 0.00 -1.46 0.00 0.00 42.92 38.66 3ddk s ASP 160 CO 0.28 -1.37 0.37 -1.83 0.52 0.00 0.00 175.17 173.13 3ddk s GLU 161 N 3.96 1.42 0.31 4.34 -1.05 -1.26 -4.99 118.70 121.44 3ddk s GLU 161 Ca 0.31 -1.35 -0.27 0.00 -0.15 0.00 0.00 54.97 53.52 3ddk s GLU 161 Cb -0.09 0.41 -0.10 0.00 -0.44 0.00 0.00 34.13 33.91 3ddk s GLU 161 CO 0.00 -0.56 0.95 -0.51 0.95 0.00 0.00 175.26 176.10 3ddk s LEU 162 N -3.05 4.38 0.08 1.83 1.43 -1.26 0.02 118.68 122.10 3ddk s LEU 162 Ca 0.27 1.86 -0.03 0.00 -1.03 0.00 0.00 54.13 55.20 3ddk s LEU 162 Cb 0.02 -3.96 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 3ddk s LEU 162 CO 0.09 -0.05 0.06 -0.13 0.23 0.00 0.00 176.35 176.55 3ddk s ARG 163 N -1.93 0.74 0.93 1.70 1.81 0.68 -4.82 118.95 118.05 3ddk s ARG 163 Ca 0.49 -1.17 -0.12 0.00 -1.72 0.00 0.00 55.73 53.21 3ddk s ARG 163 Cb -0.20 0.26 0.15 0.00 -0.45 0.00 0.00 34.95 34.71 3ddk s ARG 163 CO 0.25 -0.19 1.09 -1.54 -0.68 0.00 0.00 175.30 174.24 3ddk s SER 164 N -2.92 3.18 0.27 0.23 1.04 -1.26 -1.22 113.70 113.02 3ddk s SER 164 Ca 0.09 1.45 -0.02 0.00 0.48 0.00 0.00 55.95 57.96 3ddk s SER 164 Cb 0.07 -2.13 0.44 0.00 0.10 0.00 0.00 66.02 64.50 3ddk s SER 164 CO -0.08 -2.82 1.89 0.40 0.98 0.00 0.00 173.24 173.61 3ddk h ILE 165 N -1.67 1.08 -0.21 -1.02 2.04 -1.96 -1.80 117.51 113.97 3ddk h ILE 165 Ca -0.51 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 3ddk h ILE 165 Cb 1.29 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3ddk h ILE 165 CO 0.55 0.21 0.02 -0.08 0.00 0.00 0.00 178.15 178.85 3ddk h GLU 166 N 1.15 0.35 -0.39 2.37 4.81 -1.96 -1.60 114.58 119.30 3ddk h GLU 166 Ca 0.43 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.50 3ddk h GLU 166 Cb 0.18 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3ddk h GLU 166 CO -0.17 0.51 0.02 0.87 -0.73 0.00 0.00 179.01 179.51 3ddk h LYS 167 N 0.14 0.61 0.08 1.92 1.79 -1.84 0.18 116.57 119.45 3ddk h LYS 167 Ca 0.06 -0.13 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3ddk h LYS 167 Cb 0.34 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 3ddk h LYS 167 CO 0.01 0.62 -0.04 0.28 -1.08 0.00 0.00 179.45 179.24 3ddk h VAL 168 N 0.58 1.13 -0.75 0.50 2.07 -1.26 -0.06 116.25 118.47 3ddk h VAL 168 Ca 0.12 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 66.87 3ddk h VAL 168 Cb 0.34 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 3ddk h VAL 168 CO 0.01 0.20 0.46 0.00 0.02 0.00 0.00 177.57 178.26 3ddk h ALA 169 N 0.38 0.99 -0.00 1.67 0.00 -1.07 -0.66 119.26 120.57 3ddk h ALA 169 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ddk h ALA 169 Cb 0.41 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ddk h ALA 169 CO 0.02 0.24 -0.01 1.63 0.00 0.00 0.00 179.25 181.13 3ddk n LYS 170 N -4.65 0.96 -1.95 0.00 5.02 0.03 -0.22 118.16 117.36 3ddk n LYS 170 Ca 0.09 -0.09 -0.19 0.00 -2.02 0.00 0.00 58.31 56.09 3ddk n LYS 170 Cb 0.11 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 3ddk n LYS 170 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ddk n GLY 171 N 1.07 0.76 2.26 0.72 0.00 -0.25 -4.78 105.19 104.96 3ddk n GLY 171 Ca 0.22 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3ddk n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ddk n LYS 172 N -2.64 3.40 -2.52 1.61 5.02 -0.15 -4.10 118.16 118.79 3ddk n LYS 172 Ca -0.21 -2.02 -0.34 0.00 -2.02 0.00 0.00 58.31 53.72 3ddk n LYS 172 Cb 0.65 -2.63 -0.03 0.00 -0.02 0.00 0.00 35.03 33.00 3ddk n LYS 172 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3ddk s SER 173 N 2.04 6.31 0.29 4.39 0.01 -1.26 -4.94 113.70 120.55 3ddk s SER 173 Ca 0.69 1.93 -0.19 0.00 1.31 0.00 0.00 55.95 59.69 3ddk s SER 173 Cb 0.21 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.79 3ddk s SER 173 CO -0.05 -0.80 0.78 -0.13 0.41 0.00 0.00 173.24 173.45 3ddk s ARG 174 N -3.27 4.20 -0.16 12.44 0.52 -1.26 -4.74 118.95 126.67 3ddk s ARG 174 Ca 0.67 0.88 -0.04 0.00 -0.52 0.00 0.00 55.73 56.72 3ddk s ARG 174 Cb -0.16 -2.62 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 3ddk s ARG 174 CO 0.21 0.24 -0.03 -0.51 0.02 0.00 0.00 175.30 175.23 3ddk s LEU 175 N -2.49 3.23 0.15 2.53 1.43 -1.26 0.11 118.68 122.38 3ddk s LEU 175 Ca 0.50 -0.15 0.10 0.00 -1.03 0.00 0.00 54.13 53.55 3ddk s LEU 175 Cb -0.14 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3ddk s LEU 175 CO 0.19 0.15 -0.19 0.27 0.23 0.00 0.00 176.35 177.00 3ddk s ILE 176 N 0.48 2.71 -0.09 -0.59 -4.36 -0.06 -4.78 121.20 114.49 3ddk s ILE 176 Ca -0.03 -1.71 0.00 0.00 -0.26 0.00 0.00 60.65 58.65 3ddk s ILE 176 Cb -0.14 -2.27 -0.03 0.00 1.25 0.00 0.00 42.46 41.27 3ddk s ILE 176 CO 0.03 -0.00 -0.08 -1.61 0.24 0.00 0.00 174.94 173.51 3ddk s GLU 177 N -2.41 3.01 -0.34 0.37 0.41 0.17 -1.02 118.70 118.89 3ddk s GLU 177 Ca 0.20 -0.58 -0.10 0.00 -0.41 0.00 0.00 54.97 54.08 3ddk s GLU 177 Cb -0.09 -2.64 0.01 0.00 -1.78 0.00 0.00 34.13 29.63 3ddk s GLU 177 CO 0.10 0.50 0.17 0.00 -0.49 0.00 0.00 175.26 175.54 3ddk s ALA 178 N -0.37 3.25 0.55 5.21 0.00 0.15 -3.40 121.76 127.14 3ddk s ALA 178 Ca 0.05 -1.54 -0.17 0.00 0.00 0.00 0.00 51.96 50.30 3ddk s ALA 178 Cb -0.12 -2.44 -0.06 0.00 0.00 0.00 0.00 23.12 20.50 3ddk s ALA 178 CO 0.02 -1.12 1.03 0.45 0.00 0.00 0.00 175.76 176.14 3ddk s SER 179 N 1.57 6.17 0.46 0.00 0.15 -1.26 -1.19 113.70 119.60 3ddk s SER 179 Ca 0.03 1.74 -0.23 0.00 0.70 0.00 0.00 55.95 58.19 3ddk s SER 179 Cb -0.18 -2.53 -0.07 0.00 -1.71 0.00 0.00 66.02 61.53 3ddk s SER 179 CO 0.06 -0.90 1.24 -0.55 1.20 0.00 0.00 173.24 174.29 3ddk s SER 180 N -2.77 6.02 0.29 5.45 0.15 -1.26 -4.07 113.70 117.50 3ddk s SER 180 Ca 0.62 2.49 0.04 0.00 0.70 0.00 0.00 55.95 59.80 3ddk s SER 180 Cb -0.14 -2.62 0.70 0.00 -1.71 0.00 0.00 66.02 62.25 3ddk s SER 180 CO 0.32 -1.04 1.73 0.25 1.20 0.00 0.00 173.24 175.71 3ddk h LEU 181 N 2.09 0.50 -0.40 3.45 5.85 -1.10 0.46 115.31 126.16 3ddk h LEU 181 Ca -0.50 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.40 3ddk h LEU 181 Cb 1.26 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 3ddk h LEU 181 CO 0.60 0.12 0.13 0.78 -0.34 0.00 0.00 178.44 179.73 3ddk h ASN 182 N 0.54 0.12 -0.13 1.25 4.21 -1.88 -1.33 115.58 118.36 3ddk h ASN 182 Ca 0.55 0.05 -0.16 0.00 1.21 0.00 0.00 56.30 57.94 3ddk h ASN 182 Cb 0.95 0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 38.19 3ddk h ASN 182 CO -0.45 0.10 -0.50 0.44 -1.29 0.00 0.00 177.43 175.73 3ddk h ASP 183 N 0.28 0.77 -0.44 5.81 3.32 -1.28 -1.52 116.42 123.36 3ddk h ASP 183 Ca 0.19 -0.39 0.01 0.00 0.02 0.00 0.00 57.03 56.85 3ddk h ASP 183 Cb 0.18 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3ddk h ASP 183 CO -0.20 1.14 0.29 0.28 -1.72 0.00 0.00 179.24 179.02 3ddk h SER 184 N 0.55 0.49 -0.06 6.45 0.02 -0.75 -0.51 113.55 119.75 3ddk h SER 184 Ca 0.02 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3ddk h SER 184 Cb 1.06 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.48 3ddk h SER 184 CO 0.10 0.36 -0.01 0.58 -1.14 0.00 0.00 176.83 176.73 3ddk h VAL 185 N 0.59 1.27 -0.59 2.27 2.07 -1.22 -0.36 116.25 120.27 3ddk h VAL 185 Ca 0.16 -0.83 0.09 0.00 0.82 0.00 0.00 66.70 66.94 3ddk h VAL 185 Cb -0.06 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 3ddk h VAL 185 CO -0.04 0.23 0.21 0.00 0.02 0.00 0.00 177.57 177.99 3ddk h ALA 186 N 0.69 0.76 -0.59 1.67 0.00 -1.11 -0.22 119.26 120.45 3ddk h ALA 186 Ca 0.02 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3ddk h ALA 186 Cb 0.37 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ddk h ALA 186 CO 0.00 -0.21 -0.04 0.52 0.00 0.00 0.00 179.25 179.52 3ddk h MET 187 N 0.39 1.07 0.00 0.00 2.86 -1.00 -1.01 114.93 117.23 3ddk h MET 187 Ca 0.30 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 3ddk h MET 187 Cb 0.37 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 3ddk h MET 187 CO -0.31 1.07 -0.16 0.00 1.06 0.00 0.00 176.91 178.57 3ddk h ARG 188 N 0.96 0.00 -0.01 1.72 3.08 -0.21 0.23 114.38 120.14 3ddk h ARG 188 Ca 0.16 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 3ddk h ARG 188 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3ddk h ARG 188 CO 0.04 0.16 -0.07 1.96 -1.07 0.00 0.00 179.97 180.99 3ddk h GLN 189 N 0.00 0.07 0.02 0.04 4.20 -0.59 0.17 115.11 119.02 3ddk h GLN 189 Ca -0.00 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3ddk h GLN 189 Cb 0.31 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 3ddk h GLN 189 CO 0.02 0.73 -0.01 1.15 -0.67 0.00 0.00 178.83 180.05 3ddk h THR 190 N -0.57 0.98 -0.38 -0.54 2.02 -0.63 0.33 112.91 114.12 3ddk h THR 190 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ddk h THR 190 Cb 0.74 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 3ddk h THR 190 CO 0.01 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.39 3ddk n PHE 191 N -5.10 0.58 -0.26 3.16 3.72 0.74 -4.71 117.46 115.58 3ddk n PHE 191 Ca -0.07 -0.54 0.07 0.00 -0.05 0.00 0.00 57.45 56.86 3ddk n PHE 191 Cb 0.04 -0.06 0.21 0.00 -0.94 0.00 0.00 39.48 38.73 3ddk n PHE 191 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3ddk h GLY 192 N 2.23 1.16 1.81 1.37 0.00 -0.72 -0.22 103.07 108.71 3ddk h GLY 192 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 3ddk h GLY 192 CO 0.03 -0.19 -0.38 3.43 0.00 0.00 0.00 176.54 179.43 3ddk h ASN 193 N 0.34 0.22 -0.24 0.19 2.35 -1.82 -0.84 115.58 115.78 3ddk h ASN 193 Ca 0.44 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 56.05 3ddk h ASN 193 Cb 0.76 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 3ddk h ASN 193 CO -0.49 0.59 -0.07 0.25 -1.65 0.00 0.00 177.43 176.06 3ddk h LEU 194 N 0.18 0.49 -0.52 1.61 5.85 -1.38 -0.85 115.31 120.69 3ddk h LEU 194 Ca 0.02 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.39 3ddk h LEU 194 Cb 0.77 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3ddk h LEU 194 CO 0.06 0.75 0.31 1.88 -0.34 0.00 0.00 178.44 181.09 3ddk h TYR 195 N 0.22 0.57 0.12 1.25 0.05 -0.80 -0.91 116.97 117.47 3ddk h TYR 195 Ca 0.06 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 3ddk h TYR 195 Cb 0.54 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.10 3ddk h TYR 195 CO 0.05 0.33 -0.06 -0.22 -1.05 0.00 0.00 178.16 177.21 3ddk h LYS 196 N 0.61 -0.15 -0.56 4.88 3.64 -1.03 -0.08 116.57 123.87 3ddk h LYS 196 Ca 0.21 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 3ddk h LYS 196 Cb 0.03 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 3ddk h LYS 196 CO -0.10 -0.09 0.33 1.15 -2.27 0.00 0.00 179.45 178.47 3ddk h THR 197 N -0.17 1.03 -0.08 1.00 2.02 -0.88 -0.44 112.91 115.39 3ddk h THR 197 Ca -0.02 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 3ddk h THR 197 Cb 0.13 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3ddk h THR 197 CO 0.03 0.12 0.04 -0.26 0.37 0.00 0.00 175.52 175.82 3ddk h PHE 198 N 0.64 0.11 -0.52 3.16 -1.00 -0.98 -1.10 116.94 117.25 3ddk h PHE 198 Ca 0.23 -0.00 0.04 0.00 2.81 0.00 0.00 57.97 61.06 3ddk h PHE 198 Cb 0.06 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.56 3ddk h PHE 198 CO -0.07 0.15 0.35 0.45 -1.61 0.00 0.00 178.31 177.57 3ddk h HIS 199 N 0.04 0.53 -0.01 -0.55 3.86 -0.66 -1.37 115.15 117.00 3ddk h HIS 199 Ca 0.03 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3ddk h HIS 199 Cb 0.07 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.37 3ddk h HIS 199 CO -0.05 0.30 -0.13 1.28 0.86 0.00 0.00 177.93 180.20 3ddk n LEU 200 N -4.47 1.15 -2.90 2.43 4.77 -0.21 -4.41 117.00 113.36 3ddk n LEU 200 Ca 0.06 -0.33 -0.16 0.00 -0.03 0.00 0.00 56.01 55.55 3ddk n LEU 200 Cb 0.19 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3ddk n LEU 200 CO 0.35 0.20 -0.12 0.59 -1.33 0.00 0.00 177.39 177.08 3ddk n ASN 201 N -0.33 1.75 -4.76 -1.43 3.02 -0.45 -5.06 115.26 107.99 3ddk n ASN 201 Ca 0.16 -3.02 -0.38 0.00 -0.03 0.00 0.00 54.58 51.31 3ddk n ASN 201 Cb 0.34 -0.57 0.01 0.00 -0.61 0.00 0.00 39.78 38.96 3ddk n ASN 201 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ddk s PRO 202 N -2.89 3.53 0.00 3.52 0.04 -1.20 -4.33 135.00 133.67 3ddk s PRO 202 Ca 0.36 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.47 3ddk s PRO 202 Cb 0.39 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3ddk s PRO 202 CO -0.05 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.58 3ddk n GLY 203 N 0.61 0.52 0.16 0.56 0.00 0.54 -4.92 105.19 102.65 3ddk n GLY 203 Ca 0.08 -1.60 0.13 0.00 0.00 0.00 0.00 46.02 44.63 3ddk n GLY 203 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ddk n VAL 204 N 9.00 0.00 -0.09 1.61 0.24 -1.26 -0.59 118.33 127.23 3ddk n VAL 204 Ca 0.00 -0.08 -0.19 0.00 -2.04 0.00 0.00 64.34 62.03 3ddk n VAL 204 Cb 0.00 0.22 -0.12 0.00 -1.47 0.00 0.00 33.84 32.47 3ddk n VAL 204 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3ddk h VAL 205 N 0.77 1.12 0.00 3.34 2.07 -1.88 -3.34 116.25 118.34 3ddk h VAL 205 Ca 0.00 -2.18 -0.10 0.00 0.82 0.00 0.00 66.70 65.24 3ddk h VAL 205 Cb 0.47 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 3ddk h VAL 205 CO 0.00 0.38 -0.47 0.71 0.02 0.00 0.00 177.57 178.21 3ddk h THR 206 N -1.00 0.95 -0.78 2.57 1.35 -1.76 -3.39 112.91 110.85 3ddk h THR 206 Ca -0.24 -1.93 -0.22 0.00 -0.55 0.00 0.00 66.41 63.48 3ddk h THR 206 Cb 1.18 2.18 -0.07 0.00 -1.73 0.00 0.00 68.15 69.72 3ddk h THR 206 CO -0.14 0.46 -0.22 0.61 -0.25 0.00 0.00 175.52 175.98 3ddk n GLY 207 N 0.67 0.85 3.27 5.82 0.00 0.24 -4.92 105.19 111.12 3ddk n GLY 207 Ca 0.01 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 3ddk n GLY 207 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ddk s SER 208 N -2.79 2.35 0.00 1.61 0.15 -0.98 -0.16 113.70 113.88 3ddk s SER 208 Ca 0.00 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.92 3ddk s SER 208 Cb 0.00 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 3ddk s SER 208 CO 0.00 -0.01 0.40 0.00 1.20 0.00 0.00 173.24 174.83 3ddk n ALA 209 N 0.88 2.23 -1.68 5.45 0.00 -0.16 -0.34 120.51 126.90 3ddk n ALA 209 Ca -0.18 -0.40 -0.48 0.00 0.00 0.00 0.00 53.44 52.38 3ddk n ALA 209 Cb 0.55 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 3ddk n ALA 209 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ddk n VAL 210 N -0.11 0.39 -0.66 0.00 0.31 -1.26 -0.86 118.33 116.13 3ddk n VAL 210 Ca 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3ddk n VAL 210 Cb 0.02 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 3ddk n VAL 210 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ddk n GLY 211 N 4.06 0.76 3.82 2.92 0.00 -1.26 -4.42 105.19 111.07 3ddk n GLY 211 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3ddk n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddk s ASP 213 N -4.11 4.66 0.36 0.00 2.15 -1.26 -5.01 116.67 113.47 3ddk s ASP 213 Ca 0.62 -2.12 0.21 0.00 0.43 0.00 0.00 52.55 51.69 3ddk s ASP 213 Cb -0.14 -1.53 1.30 0.00 -0.30 0.00 0.00 42.92 42.25 3ddk s ASP 213 CO 0.53 -0.38 1.51 -2.65 -0.17 0.00 0.00 175.17 174.00 3ddk n PRO 214 N 4.29 -0.06 -0.21 4.34 -0.02 -1.26 -0.16 135.00 141.93 3ddk n PRO 214 Ca 0.03 1.31 0.10 0.00 -2.02 0.00 0.00 63.50 62.92 3ddk n PRO 214 Cb 0.42 -2.37 0.39 0.00 -0.02 0.00 0.00 33.50 31.92 3ddk n PRO 214 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ddk h ASP 215 N 0.00 0.61 0.00 2.55 3.32 -1.94 -2.34 116.42 118.62 3ddk h ASP 215 Ca 0.81 0.02 -0.41 0.00 0.02 0.00 0.00 57.03 57.47 3ddk h ASP 215 Cb 2.20 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 41.58 3ddk h ASP 215 CO -0.71 0.35 -2.49 -0.11 -1.72 0.00 0.00 179.24 174.56 3ddk n LEU 216 N -4.51 2.64 -0.07 1.55 7.94 0.77 -4.63 117.00 120.69 3ddk n LEU 216 Ca 0.14 0.02 -0.02 0.00 -1.11 0.00 0.00 56.01 55.04 3ddk n LEU 216 Cb 0.37 -0.87 0.23 0.00 0.53 0.00 0.00 43.42 43.68 3ddk n LEU 216 CO 0.32 0.82 0.95 0.15 -1.11 0.00 0.00 177.39 178.52 3ddk h PHE 217 N -0.33 0.73 -0.78 1.96 3.57 -1.13 -3.17 116.94 117.79 3ddk h PHE 217 Ca -0.62 -0.07 0.15 0.00 3.53 0.00 0.00 57.97 60.96 3ddk h PHE 217 Cb 1.80 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 40.28 3ddk h PHE 217 CO -0.01 0.65 0.52 -1.49 -2.23 0.00 0.00 178.31 175.75 3ddk h TRP 218 N 0.67 0.55 0.00 0.41 -0.00 -1.65 -0.16 115.95 115.77 3ddk h TRP 218 Ca 0.15 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.05 3ddk h TRP 218 Cb 0.32 -0.17 0.00 0.00 -0.00 0.00 0.00 29.16 29.31 3ddk h TRP 218 CO 0.02 0.21 0.00 0.77 -0.00 0.00 0.00 178.44 179.43 3ddk h SER 219 N 0.46 0.00 0.51 -3.49 0.02 -1.71 -3.05 113.55 106.29 3ddk h SER 219 Ca 0.39 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.14 3ddk h SER 219 Cb 0.83 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 3ddk h SER 219 CO -0.13 0.00 -1.65 0.29 -1.14 0.00 0.00 176.83 174.20 3ddk n LYS 220 N -2.44 0.64 -0.05 3.45 5.02 -0.12 -4.41 118.16 120.24 3ddk n LYS 220 Ca 0.03 0.15 -0.08 0.00 -2.02 0.00 0.00 58.31 56.39 3ddk n LYS 220 Cb 0.35 -1.73 -0.02 0.00 -0.02 0.00 0.00 35.03 33.60 3ddk n LYS 220 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3ddk h ILE 221 N 0.00 0.83 0.00 -0.18 2.04 -1.30 -1.20 117.51 117.70 3ddk h ILE 221 Ca -0.22 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 3ddk h ILE 221 Cb 1.67 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 3ddk h ILE 221 CO 0.04 0.01 -0.19 -0.65 0.00 0.00 0.00 178.15 177.36 3ddk h PRO 222 N 0.05 0.00 -0.40 2.37 0.11 -1.78 0.25 132.00 132.61 3ddk h PRO 222 Ca 0.10 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.05 3ddk h PRO 222 Cb 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3ddk h PRO 222 CO -0.18 0.19 -0.37 0.28 -0.21 0.00 0.00 178.00 177.71 3ddk h VAL 223 N 0.00 1.27 -0.17 3.15 2.07 -1.60 -3.23 116.25 117.73 3ddk h VAL 223 Ca -0.00 -1.55 -0.21 0.00 0.82 0.00 0.00 66.70 65.76 3ddk h VAL 223 Cb 0.37 1.35 0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3ddk h VAL 223 CO 0.03 0.52 -0.71 0.24 0.02 0.00 0.00 177.57 177.66 3ddk h MET 224 N 0.78 0.79 -4.10 1.57 2.86 -0.53 -3.37 114.93 112.94 3ddk h MET 224 Ca 0.07 -0.62 -0.77 0.00 -2.06 0.00 0.00 59.70 56.32 3ddk h MET 224 Cb 0.97 0.12 -0.23 0.00 0.06 0.00 0.00 31.60 32.52 3ddk h MET 224 CO 0.09 1.23 0.86 -0.51 1.06 0.00 0.00 176.91 179.64 3ddk s LEU 225 N -8.49 5.77 0.10 1.22 1.43 0.81 -4.90 118.68 114.61 3ddk s LEU 225 Ca -0.11 -3.33 -0.29 0.00 -1.03 0.00 0.00 54.13 49.37 3ddk s LEU 225 Cb 0.09 -2.30 -0.12 0.00 0.03 0.00 0.00 46.19 43.89 3ddk s LEU 225 CO 0.90 -0.49 1.64 -0.78 0.23 0.00 0.00 176.35 177.84 3ddk h ASP 226 N 6.88 -0.76 0.00 2.29 1.82 -1.73 -3.45 116.42 121.47 3ddk h ASP 226 Ca 0.24 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.95 3ddk h ASP 226 Cb 0.87 0.26 0.00 0.00 0.68 0.00 0.00 39.33 41.14 3ddk h ASP 226 CO 1.12 -0.41 0.00 0.61 -1.61 0.00 0.00 179.24 178.95 3ddk n GLY 227 N -1.40 1.14 3.68 -0.78 0.00 -1.26 -5.02 105.19 101.55 3ddk n GLY 227 Ca -0.09 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 3ddk n GLY 227 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ddk s HIS 228 N 2.89 3.14 0.42 1.61 3.76 -0.35 -4.80 115.29 121.96 3ddk s HIS 228 Ca 0.00 1.17 -0.25 0.00 -0.15 0.00 0.00 55.06 55.84 3ddk s HIS 228 Cb 0.00 -3.44 -0.08 0.00 1.11 0.00 0.00 32.58 30.17 3ddk s HIS 228 CO 0.00 -1.41 1.22 -0.51 -0.85 0.00 0.00 174.74 173.19 3ddk s LEU 229 N 2.36 4.15 -0.07 0.89 1.43 -1.26 -2.18 118.68 123.99 3ddk s LEU 229 Ca 0.56 2.45 0.02 0.00 -1.03 0.00 0.00 54.13 56.14 3ddk s LEU 229 Cb -0.25 -4.04 0.01 0.00 0.03 0.00 0.00 46.19 41.95 3ddk s LEU 229 CO 0.21 -0.82 -0.14 -0.63 0.23 0.00 0.00 176.35 175.21 3ddk s ILE 230 N -1.38 1.24 -0.27 -0.59 1.01 0.21 -4.69 121.20 116.74 3ddk s ILE 230 Ca 0.59 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 60.49 3ddk s ILE 230 Cb -0.33 -1.12 0.07 0.00 0.01 0.00 0.00 42.46 41.09 3ddk s ILE 230 CO 0.41 0.38 0.69 0.00 0.00 0.00 0.00 174.94 176.42 3ddk s ALA 231 N 0.63 -1.77 0.31 9.38 0.00 -1.26 -0.79 121.76 128.25 3ddk s ALA 231 Ca -0.15 2.14 -0.19 0.00 0.00 0.00 0.00 51.96 53.76 3ddk s ALA 231 Cb -0.16 -1.25 0.03 0.00 0.00 0.00 0.00 23.12 21.74 3ddk s ALA 231 CO 0.04 -0.35 0.72 -0.59 0.00 0.00 0.00 175.76 175.59 3ddk s PHE 232 N 0.91 -0.07 0.46 0.00 -0.12 -1.26 -4.04 117.98 113.86 3ddk s PHE 232 Ca -0.04 -0.44 0.05 0.00 -0.05 0.00 0.00 56.93 56.44 3ddk s PHE 232 Cb -0.05 0.71 -0.04 0.00 -0.63 0.00 0.00 43.02 43.01 3ddk s PHE 232 CO -0.08 -1.32 0.08 -0.51 -0.05 0.00 0.00 175.22 173.35 3ddk s ASP 233 N -2.97 4.16 0.12 1.98 1.01 0.61 -4.38 116.67 117.20 3ddk s ASP 233 Ca 0.13 -1.41 0.08 0.00 0.71 0.00 0.00 52.55 52.06 3ddk s ASP 233 Cb -0.05 0.02 -0.04 0.00 1.01 0.00 0.00 42.92 43.86 3ddk s ASP 233 CO 0.08 -0.69 -0.19 -0.31 0.21 0.00 0.00 175.17 174.28 3ddk s TYR 234 N -2.76 1.70 -0.25 4.23 1.51 -1.26 -0.58 117.35 119.95 3ddk s TYR 234 Ca 0.25 -0.45 -0.04 0.00 -1.01 0.00 0.00 57.07 55.82 3ddk s TYR 234 Cb 0.04 -0.90 0.01 0.00 -0.11 0.00 0.00 41.96 41.00 3ddk s TYR 234 CO 0.13 0.22 -0.02 -1.12 -1.11 0.00 0.00 175.55 173.66 3ddk s SER 235 N -2.18 4.52 -1.39 2.29 0.01 0.07 -4.62 113.70 112.41 3ddk s SER 235 Ca 0.09 -0.64 -0.09 0.00 1.31 0.00 0.00 55.95 56.61 3ddk s SER 235 Cb -0.08 -1.75 0.03 0.00 0.21 0.00 0.00 66.02 64.42 3ddk s SER 235 CO 0.05 -0.10 1.13 0.61 0.41 0.00 0.00 173.24 175.33 3ddk n GLY 236 N 4.77 -0.52 0.36 3.44 0.00 -1.26 -4.52 105.19 107.45 3ddk n GLY 236 Ca -0.17 0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 3ddk n GLY 236 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ddk h TYR 237 N -2.53 -1.44 -0.34 1.61 3.20 -1.91 -1.18 116.97 114.38 3ddk h TYR 237 Ca -0.57 0.08 0.07 0.00 3.14 0.00 0.00 58.73 61.45 3ddk h TYR 237 Cb 1.37 0.69 -0.09 0.00 1.54 0.00 0.00 36.73 40.25 3ddk h TYR 237 CO 0.51 -0.37 -0.35 -0.44 -1.64 0.00 0.00 178.16 175.87 3ddk h ASP 238 N -0.22 -1.16 1.08 -2.11 5.19 -1.91 -1.33 116.42 115.97 3ddk h ASP 238 Ca 0.08 0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 3ddk h ASP 238 Cb 0.43 0.52 0.00 0.00 0.18 0.00 0.00 39.33 40.47 3ddk h ASP 238 CO -0.58 -0.34 0.00 0.00 -3.12 0.00 0.00 179.24 175.20 3ddk h ALA 239 N 0.59 1.00 0.00 3.45 0.00 -1.76 0.27 119.26 122.81 3ddk h ALA 239 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ddk h ALA 239 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ddk h ALA 239 CO -0.51 0.00 -0.21 0.66 0.00 0.00 0.00 179.25 179.19 3ddk h SER 240 N 0.00 0.00 -2.43 0.00 4.64 -0.04 0.42 113.55 116.13 3ddk h SER 240 Ca 0.00 -0.03 -0.55 0.00 -0.47 0.00 0.00 61.79 60.74 3ddk h SER 240 Cb 0.54 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.68 3ddk h SER 240 CO 0.00 0.02 1.01 0.18 -0.87 0.00 0.00 176.83 177.17 3ddk n LEU 241 N -2.58 3.75 -4.93 5.97 4.77 -1.05 -3.70 117.00 119.23 3ddk n LEU 241 Ca 0.04 1.03 -0.26 0.00 -0.03 0.00 0.00 56.01 56.79 3ddk n LEU 241 Cb 0.48 -1.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.05 3ddk n LEU 241 CO 0.34 0.05 0.23 -0.44 -1.33 0.00 0.00 177.39 176.23 3ddk s SER 242 N 2.04 6.33 0.45 -1.43 0.01 -1.26 -0.55 113.70 119.29 3ddk s SER 242 Ca 0.80 0.61 0.25 0.00 1.31 0.00 0.00 55.95 58.92 3ddk s SER 242 Cb -0.55 -2.10 1.28 0.00 0.21 0.00 0.00 66.02 64.85 3ddk s SER 242 CO 0.37 -0.32 1.78 -0.65 0.41 0.00 0.00 173.24 174.83 3ddk h PRO 243 N 0.88 0.23 -0.92 12.44 0.11 -1.88 -1.76 132.00 141.10 3ddk h PRO 243 Ca -0.49 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.73 3ddk h PRO 243 Cb 1.21 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 3ddk h PRO 243 CO 0.63 0.15 0.54 -0.24 -0.21 0.00 0.00 178.00 178.87 3ddk h VAL 244 N 0.24 0.86 -0.04 3.15 3.04 -1.87 -0.86 116.25 120.77 3ddk h VAL 244 Ca 0.59 -0.29 -0.07 0.00 -1.01 0.00 0.00 66.70 65.92 3ddk h VAL 244 Cb 1.80 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 31.02 3ddk h VAL 244 CO -0.20 0.15 -0.29 -0.50 -1.01 0.00 0.00 177.57 175.73 3ddk h TRP 245 N 0.84 0.08 -0.06 3.17 4.06 -1.71 -1.14 115.95 121.19 3ddk h TRP 245 Ca 0.47 -0.01 -0.16 0.00 2.06 0.00 0.00 58.89 61.25 3ddk h TRP 245 Cb 0.52 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.64 3ddk h TRP 245 CO -0.04 0.36 -0.65 0.74 -3.56 0.00 0.00 178.44 175.29 3ddk h PHE 246 N 0.07 0.33 -0.62 0.49 0.04 -1.28 -0.79 116.94 115.19 3ddk h PHE 246 Ca 0.01 -0.13 -0.05 0.00 2.80 0.00 0.00 57.97 60.59 3ddk h PHE 246 Cb 0.55 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.62 3ddk h PHE 246 CO 0.00 0.83 0.18 0.00 -0.60 0.00 0.00 178.31 178.72 3ddk h ALA 247 N 1.14 0.81 -0.50 2.45 0.00 -0.35 -0.45 119.26 122.36 3ddk h ALA 247 Ca -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3ddk h ALA 247 Cb 1.17 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3ddk h ALA 247 CO 0.10 0.49 0.23 0.00 0.00 0.00 0.00 179.25 180.08 3ddk h LEU 249 N 0.66 0.96 -0.91 0.00 5.85 -0.71 -1.19 115.31 119.98 3ddk h LEU 249 Ca 0.17 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 3ddk h LEU 249 Cb 0.13 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3ddk h LEU 249 CO -0.02 0.69 0.08 0.11 -0.34 0.00 0.00 178.44 178.95 3ddk h LYS 250 N 1.13 0.89 -0.38 1.25 1.57 -0.67 0.58 116.57 120.94 3ddk h LYS 250 Ca 0.32 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3ddk h LYS 250 Cb -0.09 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 3ddk h LYS 250 CO -0.08 0.83 0.11 0.52 -0.57 0.00 0.00 179.45 180.26 3ddk h MET 251 N 0.84 0.60 -0.59 3.15 2.86 -0.62 -0.17 114.93 120.99 3ddk h MET 251 Ca 0.17 -0.14 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 3ddk h MET 251 Cb 0.39 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3ddk h MET 251 CO 0.01 0.62 -0.04 0.97 1.06 0.00 0.00 176.91 179.52 3ddk h ILE 252 N 0.47 1.27 -0.23 -1.22 2.10 -0.94 -0.60 117.51 118.36 3ddk h ILE 252 Ca 0.12 -1.20 -0.04 0.00 1.08 0.00 0.00 64.86 64.81 3ddk h ILE 252 Cb 0.28 0.86 -0.01 0.00 -1.09 0.00 0.00 36.82 36.85 3ddk h ILE 252 CO -0.00 0.43 -0.06 -0.07 -1.08 0.00 0.00 178.15 177.38 3ddk h LEU 253 N 0.96 0.32 -0.43 2.19 3.38 -0.67 -2.15 115.31 118.91 3ddk h LEU 253 Ca 0.16 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 3ddk h LEU 253 Cb 0.61 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3ddk h LEU 253 CO 0.04 0.43 -0.78 -0.33 0.09 0.00 0.00 178.44 177.89 3ddk h GLU 254 N 0.33 0.16 0.00 1.13 5.08 -0.49 -2.53 114.58 118.27 3ddk h GLU 254 Ca 0.07 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3ddk h GLU 254 Cb 0.32 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3ddk h GLU 254 CO 0.01 0.86 -0.01 0.87 -1.00 0.00 0.00 179.01 179.75 3ddk h LYS 255 N 0.10 0.00 0.00 2.33 1.57 -0.51 -2.27 116.57 117.78 3ddk h LYS 255 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3ddk h LYS 255 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 3ddk h LYS 255 CO 0.11 0.01 -0.10 -0.07 -0.57 0.00 0.00 179.45 178.83 3ddk h LEU 256 N 0.00 0.00 0.00 2.94 3.38 -1.06 -3.47 115.31 117.10 3ddk h LEU 256 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ddk h LEU 256 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3ddk h LEU 256 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3ddk n GLY 257 N 1.29 1.82 3.73 0.83 0.00 -0.85 -4.83 105.19 107.18 3ddk n GLY 257 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3ddk n GLY 257 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ddk s TYR 258 N -1.41 2.10 0.33 1.61 1.51 -0.98 -4.99 117.35 115.52 3ddk s TYR 258 Ca 0.00 1.46 -0.02 0.00 -1.01 0.00 0.00 57.07 57.50 3ddk s TYR 258 Cb 0.00 -3.73 -0.04 0.00 -0.11 0.00 0.00 41.96 38.08 3ddk s TYR 258 CO 0.00 -2.96 0.56 -0.08 -1.11 0.00 0.00 175.55 171.97 3ddk s THR 259 N -1.37 5.07 0.35 -0.71 -1.32 -1.26 -4.41 115.64 112.00 3ddk s THR 259 Ca 0.81 -0.24 0.13 0.00 -1.21 0.00 0.00 61.69 61.18 3ddk s THR 259 Cb -0.38 -3.82 0.35 0.00 -1.51 0.00 0.00 72.50 67.14 3ddk s THR 259 CO 0.41 -0.49 1.77 -0.74 -2.21 0.00 0.00 174.62 173.36 3ddk h HIS 260 N 1.05 0.85 -0.32 9.09 2.76 -1.98 0.71 115.15 127.31 3ddk h HIS 260 Ca -0.49 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 57.70 3ddk h HIS 260 Cb 1.21 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 3ddk h HIS 260 CO 0.54 0.12 0.14 -0.22 -1.30 0.00 0.00 177.93 177.21 3ddk h LYS 261 N 0.54 0.47 0.00 5.26 3.64 -2.01 -2.77 116.57 121.70 3ddk h LYS 261 Ca 0.59 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.83 3ddk h LYS 261 Cb 1.24 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 3ddk h LYS 261 CO -0.35 0.45 -0.32 0.93 -2.27 0.00 0.00 179.45 177.88 3ddk h GLU 262 N 0.38 0.00 -0.00 1.90 5.08 -1.27 -2.38 114.58 118.28 3ddk h GLU 262 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3ddk h GLU 262 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3ddk h GLU 262 CO -0.01 0.32 -0.05 0.25 -1.00 0.00 0.00 179.01 178.52 3ddk n THR 263 N -3.77 0.00 0.25 1.13 -2.24 -0.64 -3.55 114.28 105.46 3ddk n THR 263 Ca -0.01 -0.04 0.10 0.00 -2.27 0.00 0.00 64.05 61.83 3ddk n THR 263 Cb 0.41 -0.24 0.70 0.00 -2.10 0.00 0.00 70.33 69.10 3ddk n THR 263 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3ddk h ASN 264 N 0.41 0.00 0.13 3.42 2.35 -1.15 0.17 115.58 120.92 3ddk h ASN 264 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3ddk h ASN 264 Cb 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 3ddk h ASN 264 CO 0.00 0.00 -0.07 1.88 -1.65 0.00 0.00 177.43 177.59 3ddk h TYR 265 N 0.00 0.00 -0.36 1.19 0.99 -1.77 0.23 116.97 117.25 3ddk h TYR 265 Ca 0.01 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.70 3ddk h TYR 265 Cb 0.06 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.77 3ddk h TYR 265 CO 0.00 0.07 0.03 0.82 -0.00 0.00 0.00 178.16 179.08 3ddk h ILE 266 N 0.00 1.19 -0.33 -2.88 1.08 -1.22 -0.82 117.51 114.54 3ddk h ILE 266 Ca -0.00 -0.74 -0.06 0.00 -0.39 0.00 0.00 64.86 63.67 3ddk h ILE 266 Cb 0.16 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 3ddk h ILE 266 CO 0.01 0.26 -0.04 0.44 -0.69 0.00 0.00 178.15 178.13 3ddk h ASP 267 N 0.52 0.49 -0.99 1.72 3.32 -0.62 -1.07 116.42 119.80 3ddk h ASP 267 Ca 0.12 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3ddk h ASP 267 Cb 0.30 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 3ddk h ASP 267 CO 0.01 0.59 0.64 0.22 -1.72 0.00 0.00 179.24 178.97 3ddk h TYR 268 N 0.49 1.26 -0.14 4.55 3.20 -0.80 -0.27 116.97 125.27 3ddk h TYR 268 Ca 0.10 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.80 3ddk h TYR 268 Cb 0.38 -0.42 0.01 0.00 1.54 0.00 0.00 36.73 38.23 3ddk h TYR 268 CO 0.01 0.81 -0.66 -0.07 -1.64 0.00 0.00 178.16 176.62 3ddk h LEU 269 N 1.35 0.81 0.12 2.82 3.38 -0.82 -3.36 115.31 119.62 3ddk h LEU 269 Ca 0.36 -0.63 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3ddk h LEU 269 Cb -0.12 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.39 3ddk h LEU 269 CO -0.07 1.31 -0.06 0.00 0.09 0.00 0.00 178.44 179.71 3ddk s ASN 271 N -5.51 6.24 0.25 0.00 0.01 -0.13 -0.96 114.94 114.83 3ddk s ASN 271 Ca -0.14 -2.98 0.02 0.00 -0.71 0.00 0.00 52.86 49.04 3ddk s ASN 271 Cb 0.01 -2.06 -0.04 0.00 0.41 0.00 0.00 41.25 39.58 3ddk s ASN 271 CO 0.57 -0.43 0.41 -0.94 -1.51 0.00 0.00 177.10 175.21 3ddk s SER 272 N 1.30 6.34 -0.16 -1.22 1.04 -0.78 -4.69 113.70 115.53 3ddk s SER 272 Ca 0.20 0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.94 3ddk s SER 272 Cb -0.13 -1.96 0.01 0.00 0.10 0.00 0.00 66.02 64.04 3ddk s SER 272 CO -0.07 -0.11 -0.19 -2.28 0.98 0.00 0.00 173.24 171.57 3ddk s HIS 273 N -2.01 2.74 0.14 5.02 2.46 -1.26 -1.09 115.29 121.29 3ddk s HIS 273 Ca 0.37 -1.32 0.10 0.00 0.47 0.00 0.00 55.06 54.69 3ddk s HIS 273 Cb -0.10 -1.88 -0.04 0.00 -0.13 0.00 0.00 32.58 30.43 3ddk s HIS 273 CO 0.31 -0.62 -0.25 -1.01 -2.47 0.00 0.00 174.74 170.70 3ddk s HIS 274 N 0.98 2.18 -0.24 3.88 3.76 0.15 -0.71 115.29 125.29 3ddk s HIS 274 Ca -0.03 -0.39 0.02 0.00 -0.15 0.00 0.00 55.06 54.52 3ddk s HIS 274 Cb -0.15 -1.16 0.05 0.00 1.11 0.00 0.00 32.58 32.43 3ddk s HIS 274 CO -0.04 0.34 -0.12 -0.51 -0.85 0.00 0.00 174.74 173.56 3ddk s LEU 275 N -2.18 3.09 -0.29 0.89 1.43 0.13 -0.80 118.68 120.95 3ddk s LEU 275 Ca 0.14 -1.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.05 3ddk s LEU 275 Cb -0.09 -1.50 0.08 0.00 0.03 0.00 0.00 46.19 44.70 3ddk s LEU 275 CO 0.06 -0.15 -0.02 -0.47 0.23 0.00 0.00 176.35 176.00 3ddk s TYR 276 N 1.17 3.19 0.00 0.29 5.04 0.54 -1.21 117.35 126.36 3ddk s TYR 276 Ca -0.06 -2.45 0.00 0.00 -2.44 0.00 0.00 57.07 52.13 3ddk s TYR 276 Cb -0.18 -2.24 0.00 0.00 0.35 0.00 0.00 41.96 39.89 3ddk s TYR 276 CO -0.07 -0.89 0.00 0.54 -1.34 0.00 0.00 175.55 173.79 3ddk n ARG 277 N 4.43 0.00 -0.20 4.97 1.74 -1.26 -0.04 116.66 126.30 3ddk n ARG 277 Ca -0.06 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.14 3ddk n ARG 277 Cb 0.42 0.00 0.22 0.00 -1.02 0.00 0.00 32.46 32.09 3ddk n ARG 277 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3ddk n ASP 278 N 8.14 3.53 -4.61 0.55 5.75 -1.26 -0.27 116.55 128.37 3ddk n ASP 278 Ca 0.00 -2.00 -0.24 0.00 -0.01 0.00 0.00 54.79 52.54 3ddk n ASP 278 Cb 0.00 -0.27 -0.08 0.00 -1.03 0.00 0.00 41.12 39.75 3ddk n ASP 278 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3ddk s LYS 279 N -1.47 2.18 -0.05 0.11 -0.14 0.94 0.25 119.74 121.55 3ddk s LYS 279 Ca 0.40 -1.43 -0.03 0.00 -1.36 0.00 0.00 55.97 53.55 3ddk s LYS 279 Cb 0.23 -2.12 0.03 0.00 -1.68 0.00 0.00 37.83 34.29 3ddk s LYS 279 CO 0.32 0.37 0.12 -3.38 -0.76 0.00 0.00 175.35 172.03 3ddk s HIS 280 N -2.22 -0.13 0.14 3.18 -3.43 -0.83 -0.34 115.29 111.66 3ddk s HIS 280 Ca 0.30 0.38 -0.10 0.00 -0.80 0.00 0.00 55.06 54.83 3ddk s HIS 280 Cb -0.07 -0.06 0.00 0.00 -1.43 0.00 0.00 32.58 31.03 3ddk s HIS 280 CO 0.18 -0.12 0.29 1.52 -2.00 0.00 0.00 174.74 174.62 3ddk s TYR 281 N 0.76 0.22 -0.00 0.38 -0.85 0.02 -2.18 117.35 115.69 3ddk s TYR 281 Ca -0.06 -0.59 0.03 0.00 -0.52 0.00 0.00 57.07 55.93 3ddk s TYR 281 Cb -0.08 0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.25 3ddk s TYR 281 CO -0.03 -0.69 -0.08 -0.06 -1.52 0.00 0.00 175.55 173.17 3ddk s PHE 282 N -3.91 2.86 -0.01 -3.49 0.40 0.14 0.31 117.98 114.28 3ddk s PHE 282 Ca 0.11 -0.06 0.04 0.00 -0.60 0.00 0.00 56.93 56.43 3ddk s PHE 282 Cb 0.03 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.94 3ddk s PHE 282 CO -0.05 0.35 -0.13 0.08 0.70 0.00 0.00 175.22 176.17 3ddk s VAL 283 N -0.96 1.02 -0.22 -0.44 1.01 -0.25 -1.63 120.40 118.93 3ddk s VAL 283 Ca 0.16 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 3ddk s VAL 283 Cb -0.11 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.43 3ddk s VAL 283 CO 0.06 0.26 -0.09 -0.60 0.00 0.00 0.00 175.10 174.74 3ddk s ARG 284 N -0.37 3.00 0.00 2.72 3.52 0.12 -1.86 118.95 126.08 3ddk s ARG 284 Ca 0.05 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 54.79 3ddk s ARG 284 Cb -0.05 -2.89 0.00 0.00 -1.56 0.00 0.00 34.95 30.45 3ddk s ARG 284 CO -0.00 -0.30 0.00 0.41 -0.81 0.00 0.00 175.30 174.59 3ddk n GLY 285 N 4.69 -0.72 0.00 8.12 0.00 -0.14 -0.05 105.19 117.10 3ddk n GLY 285 Ca -0.18 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3ddk n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddk n GLY 286 N -0.80 -1.44 3.64 -0.02 0.00 0.29 -4.36 105.19 102.51 3ddk n GLY 286 Ca 0.00 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 3ddk n GLY 286 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ddk s MET 287 N -5.02 4.17 -1.29 1.61 1.75 0.08 -4.54 119.30 116.07 3ddk s MET 287 Ca 0.00 0.74 -0.18 0.00 -1.25 0.00 0.00 55.69 55.01 3ddk s MET 287 Cb 0.00 -3.63 0.02 0.00 2.84 0.00 0.00 34.83 34.06 3ddk s MET 287 CO 0.00 -0.41 1.93 -0.35 -0.65 0.00 0.00 175.02 175.54 3ddk n PRO 288 N 5.63 2.74 -1.69 4.11 -0.04 -1.26 -4.58 135.00 139.91 3ddk n PRO 288 Ca 0.02 -2.84 -0.66 0.00 -0.04 0.00 0.00 63.50 59.98 3ddk n PRO 288 Cb 0.49 -3.41 -0.10 0.00 -0.04 0.00 0.00 33.50 30.44 3ddk n PRO 288 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3ddk n SER 289 N 8.40 1.00 0.00 3.54 7.64 -1.26 -2.16 113.62 130.78 3ddk n SER 289 Ca 0.49 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.54 3ddk n SER 289 Cb 0.43 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 3ddk n SER 289 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ddk n GLY 290 N 3.56 1.23 3.66 0.23 0.00 -1.26 0.44 105.19 113.05 3ddk n GLY 290 Ca 0.29 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3ddk n GLY 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddk n SER 292 N -4.19 3.42 0.00 0.00 2.88 -1.26 -2.86 113.62 111.61 3ddk n SER 292 Ca 0.06 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 3ddk n SER 292 Cb 0.56 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 3ddk n SER 292 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ddk n GLY 293 N 2.25 0.08 0.29 0.46 0.00 -1.26 -4.89 105.19 102.12 3ddk n GLY 293 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 3ddk n GLY 293 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ddk h THR 294 N 0.00 1.00 -0.33 2.61 1.35 -1.89 0.14 112.91 115.78 3ddk h THR 294 Ca 0.00 -0.06 -0.11 0.00 -0.55 0.00 0.00 66.41 65.68 3ddk h THR 294 Cb 0.83 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 3ddk h THR 294 CO 0.00 0.03 -0.23 0.28 -0.25 0.00 0.00 175.52 175.35 3ddk h SER 295 N 0.18 0.78 -0.00 5.36 0.02 -1.90 0.40 113.55 118.39 3ddk h SER 295 Ca 0.09 -0.44 -0.15 0.00 -0.84 0.00 0.00 61.79 60.45 3ddk h SER 295 Cb 0.12 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3ddk h SER 295 CO -0.01 1.05 -0.51 0.40 -1.14 0.00 0.00 176.83 176.62 3ddk h ILE 296 N 0.52 1.31 -0.03 3.27 2.04 -1.77 -2.04 117.51 120.82 3ddk h ILE 296 Ca 0.07 -1.73 -0.17 0.00 1.00 0.00 0.00 64.86 64.02 3ddk h ILE 296 Cb 0.79 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 3ddk h ILE 296 CO 0.06 0.54 -0.76 -0.26 0.00 0.00 0.00 178.15 177.74 3ddk h PHE 297 N 0.44 0.29 -0.37 1.37 0.04 -0.69 -1.53 116.94 116.50 3ddk h PHE 297 Ca 0.02 -0.14 -0.08 0.00 2.80 0.00 0.00 57.97 60.56 3ddk h PHE 297 Cb 1.04 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 39.13 3ddk h PHE 297 CO 0.04 0.89 -0.12 -0.91 -0.60 0.00 0.00 178.31 177.61 3ddk h ASN 298 N 0.14 0.63 -0.23 2.17 2.35 -0.82 -1.14 115.58 118.69 3ddk h ASN 298 Ca -0.03 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.46 3ddk h ASN 298 Cb 1.33 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 3ddk h ASN 298 CO 0.12 0.78 -0.17 0.28 -1.65 0.00 0.00 177.43 176.79 3ddk h SER 299 N 0.59 0.54 -0.35 5.81 0.02 -1.20 -1.29 113.55 117.67 3ddk h SER 299 Ca 0.10 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 3ddk h SER 299 Cb 0.55 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 3ddk h SER 299 CO 0.03 0.87 0.19 0.24 -1.14 0.00 0.00 176.83 177.02 3ddk h MET 300 N 0.22 0.49 -0.86 3.45 2.86 -1.14 -1.58 114.93 118.36 3ddk h MET 300 Ca 0.04 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3ddk h MET 300 Cb 0.69 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.22 3ddk h MET 300 CO 0.04 0.42 0.47 0.82 1.06 0.00 0.00 176.91 179.72 3ddk h ILE 301 N 0.44 1.25 -0.35 -1.22 2.04 -1.21 -2.18 117.51 116.27 3ddk h ILE 301 Ca 0.12 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 3ddk h ILE 301 Cb 0.08 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 3ddk h ILE 301 CO -0.02 0.29 0.07 -1.13 0.00 0.00 0.00 178.15 177.36 3ddk h ASN 302 N 1.21 0.48 0.07 1.72 -0.73 -0.71 0.74 115.58 118.35 3ddk h ASN 302 Ca 0.30 -0.07 -0.07 0.00 1.87 0.00 0.00 56.30 58.33 3ddk h ASN 302 Cb 0.04 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 3ddk h ASN 302 CO -0.05 0.50 -0.22 0.78 -0.37 0.00 0.00 177.43 178.06 3ddk h ASN 303 N 0.51 0.28 -0.01 1.15 2.35 -0.68 -1.85 115.58 117.32 3ddk h ASN 303 Ca 0.12 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 3ddk h ASN 303 Cb 0.22 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3ddk h ASN 303 CO -0.00 0.51 -0.19 0.40 -1.65 0.00 0.00 177.43 176.51 3ddk h ILE 304 N 0.26 1.54 0.30 2.81 2.04 -0.89 -3.15 117.51 120.42 3ddk h ILE 304 Ca 0.04 -1.86 -0.00 0.00 1.00 0.00 0.00 64.86 64.05 3ddk h ILE 304 Cb 0.55 2.71 -0.04 0.00 -0.74 0.00 0.00 36.82 39.31 3ddk h ILE 304 CO 0.04 0.50 -0.52 0.40 0.00 0.00 0.00 178.15 178.58 3ddk h ILE 305 N -0.53 0.00 -0.69 -0.67 2.04 -0.74 0.93 117.51 117.84 3ddk h ILE 305 Ca -0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.91 3ddk h ILE 305 Cb 0.92 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 3ddk h ILE 305 CO 0.04 0.00 0.37 0.40 0.00 0.00 0.00 178.15 178.95 3ddk h ILE 306 N -0.87 0.91 -0.78 -0.67 1.08 -1.49 0.14 117.51 115.83 3ddk h ILE 306 Ca -0.03 -0.22 -0.02 0.00 -0.39 0.00 0.00 64.86 64.19 3ddk h ILE 306 Cb 0.81 0.20 -0.04 0.00 -3.07 0.00 0.00 36.82 34.73 3ddk h ILE 306 CO -0.18 0.12 0.41 0.03 -0.69 0.00 0.00 178.15 177.84 3ddk h ARG 307 N 0.65 1.10 -0.32 2.37 3.08 -1.46 -0.65 114.38 119.15 3ddk h ARG 307 Ca 0.32 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3ddk h ARG 307 Cb 0.27 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3ddk h ARG 307 CO -0.22 0.83 0.21 1.15 -1.07 0.00 0.00 179.97 180.86 3ddk h THR 308 N 1.09 1.10 -0.49 2.04 2.02 0.11 -1.51 112.91 117.26 3ddk h THR 308 Ca 0.27 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 67.18 3ddk h THR 308 Cb 0.06 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3ddk h THR 308 CO -0.04 0.09 -0.01 -0.07 0.37 0.00 0.00 175.52 175.87 3ddk h LEU 309 N 0.43 0.80 -0.52 2.58 3.38 -0.49 -1.71 115.31 119.78 3ddk h LEU 309 Ca 0.12 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3ddk h LEU 309 Cb -0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3ddk h LEU 309 CO -0.02 0.87 0.18 0.24 0.09 0.00 0.00 178.44 179.79 3ddk h MET 310 N 0.77 0.79 -0.16 1.13 2.86 -0.84 -1.63 114.93 117.85 3ddk h MET 310 Ca 0.15 -0.16 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 3ddk h MET 310 Cb 0.47 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3ddk h MET 310 CO 0.02 0.72 -0.35 -0.07 1.06 0.00 0.00 176.91 178.29 3ddk h LEU 311 N 0.70 0.34 -0.01 1.22 3.38 -1.05 0.17 115.31 120.05 3ddk h LEU 311 Ca 0.17 -0.13 -0.26 0.00 0.09 0.00 0.00 57.88 57.76 3ddk h LEU 311 Cb 0.24 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 40.92 3ddk h LEU 311 CO -0.01 0.67 -0.99 0.50 0.09 0.00 0.00 178.44 178.70 3ddk h LYS 312 N 0.28 0.69 0.07 1.13 3.64 -1.09 -3.26 116.57 118.03 3ddk h LYS 312 Ca 0.03 -0.73 -0.19 0.00 -1.27 0.00 0.00 60.65 58.50 3ddk h LYS 312 Cb 0.75 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 3ddk h LYS 312 CO 0.06 1.31 -0.96 0.28 -2.27 0.00 0.00 179.45 177.86 3ddk h VAL 313 N 0.36 1.27 -2.99 2.00 2.07 -1.30 -3.40 116.25 114.26 3ddk h VAL 313 Ca -0.12 -2.38 -0.75 0.00 0.82 0.00 0.00 66.70 64.27 3ddk h VAL 313 Cb 1.65 2.87 -0.32 0.00 -1.52 0.00 0.00 31.29 33.96 3ddk h VAL 313 CO 0.20 0.61 0.30 -1.22 0.02 0.00 0.00 177.57 177.48 3ddk n TYR 314 N -4.20 3.48 -1.92 1.57 4.01 0.58 -5.02 117.16 115.66 3ddk n TYR 314 Ca -0.21 -3.44 -0.42 0.00 -0.16 0.00 0.00 57.90 53.68 3ddk n TYR 314 Cb 0.75 -1.19 -0.03 0.00 -0.31 0.00 0.00 39.34 38.57 3ddk n TYR 314 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3ddk s LYS 315 N -2.17 4.20 0.00 -0.72 1.02 -1.23 -1.00 119.74 119.84 3ddk s LYS 315 Ca 0.32 2.35 0.00 0.00 0.02 0.00 0.00 55.97 58.66 3ddk s LYS 315 Cb 0.01 -3.45 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 3ddk s LYS 315 CO 0.00 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 174.14 3ddk n GLY 316 N 3.93 0.98 3.81 -3.33 0.00 -1.26 -5.08 105.19 104.24 3ddk n GLY 316 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3ddk n GLY 316 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ddk s ILE 317 N -2.00 4.04 -0.44 -0.61 1.10 -0.17 -5.02 121.20 118.10 3ddk s ILE 317 Ca 0.00 1.14 -0.01 0.00 -0.51 0.00 0.00 60.65 61.27 3ddk s ILE 317 Cb 0.00 -3.51 0.12 0.00 0.15 0.00 0.00 42.46 39.22 3ddk s ILE 317 CO 0.00 -0.40 0.22 -0.62 -2.11 0.00 0.00 174.94 172.03 3ddk s ASP 318 N -2.41 5.07 0.61 4.50 2.15 -1.26 -4.95 116.67 120.38 3ddk s ASP 318 Ca 0.64 -2.28 0.41 0.00 0.43 0.00 0.00 52.55 51.75 3ddk s ASP 318 Cb -0.14 -1.78 2.16 0.00 -0.30 0.00 0.00 42.92 42.87 3ddk s ASP 318 CO 0.25 -0.45 2.24 -0.07 -0.17 0.00 0.00 175.17 176.97 3ddk h LEU 319 N 7.65 0.00 -2.36 -1.34 3.38 -1.95 -1.55 115.31 119.14 3ddk h LEU 319 Ca -0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3ddk h LEU 319 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3ddk h LEU 319 CO 0.66 0.00 -0.00 0.44 0.09 0.00 0.00 178.44 179.63 3ddk h ASP 320 N 0.00 0.00 -0.32 -0.43 5.19 -2.01 0.02 116.42 118.86 3ddk h ASP 320 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3ddk h ASP 320 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 3ddk h ASP 320 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 3ddk n GLN 321 N -3.09 2.23 -3.36 3.56 6.02 -0.59 -4.94 117.38 117.20 3ddk n GLN 321 Ca -0.02 -2.04 -0.37 0.00 -0.01 0.00 0.00 57.00 54.57 3ddk n GLN 321 Cb 0.17 -1.41 -0.06 0.00 1.02 0.00 0.00 30.24 29.96 3ddk n GLN 321 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3ddk s PHE 322 N -1.25 3.68 -0.02 1.08 5.36 -0.01 -4.28 117.98 122.55 3ddk s PHE 322 Ca 0.31 1.10 0.01 0.00 -0.96 0.00 0.00 56.93 57.39 3ddk s PHE 322 Cb 0.18 -2.39 0.01 0.00 -0.34 0.00 0.00 43.02 40.49 3ddk s PHE 322 CO 0.25 0.51 -0.02 1.03 -1.46 0.00 0.00 175.22 175.54 3ddk s ARG 323 N -1.57 0.31 -0.00 10.12 1.81 -0.54 -5.01 118.95 124.06 3ddk s ARG 323 Ca 0.33 -0.03 -0.19 0.00 -1.72 0.00 0.00 55.73 54.12 3ddk s ARG 323 Cb -0.17 -0.39 0.04 0.00 -0.45 0.00 0.00 34.95 33.99 3ddk s ARG 323 CO 0.18 -0.03 0.41 0.00 -0.68 0.00 0.00 175.30 175.18 3ddk s MET 324 N 0.48 0.82 -0.05 3.54 0.23 -1.26 -0.61 119.30 122.45 3ddk s MET 324 Ca -0.05 -0.16 0.01 0.00 -1.03 0.00 0.00 55.69 54.46 3ddk s MET 324 Cb -0.08 0.37 0.02 0.00 -1.53 0.00 0.00 34.83 33.62 3ddk s MET 324 CO -0.01 -0.25 -0.03 0.42 -2.03 0.00 0.00 175.02 173.12 3ddk s ILE 325 N -1.64 0.47 0.10 3.16 1.01 -0.43 -4.29 121.20 119.58 3ddk s ILE 325 Ca -0.11 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.56 3ddk s ILE 325 Cb -0.03 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 3ddk s ILE 325 CO 0.03 0.22 -0.21 0.00 0.00 0.00 0.00 174.94 174.98 3ddk s ALA 326 N 1.04 1.81 -0.45 9.38 0.00 0.77 -2.31 121.76 132.01 3ddk s ALA 326 Ca -0.09 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.64 3ddk s ALA 326 Cb -0.14 -0.25 0.15 0.00 0.00 0.00 0.00 23.12 22.88 3ddk s ALA 326 CO -0.01 0.36 0.28 -0.47 0.00 0.00 0.00 175.76 175.92 3ddk s TYR 327 N -1.17 1.80 0.00 0.00 6.14 -0.37 -0.99 117.35 122.76 3ddk s TYR 327 Ca 0.07 -2.37 0.00 0.00 0.64 0.00 0.00 57.07 55.40 3ddk s TYR 327 Cb -0.10 -1.66 0.00 0.00 0.42 0.00 0.00 41.96 40.62 3ddk s TYR 327 CO 0.04 -0.77 0.00 0.41 0.64 0.00 0.00 175.55 175.87 3ddk n GLY 328 N 3.35 2.92 0.03 8.97 0.00 -1.25 -2.11 105.19 117.09 3ddk n GLY 328 Ca 0.14 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3ddk n GLY 328 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ddk n ASP 329 N 9.31 0.58 -4.68 1.61 5.75 -1.26 -4.00 116.55 123.86 3ddk n ASP 329 Ca 0.00 -0.13 -0.42 0.00 -0.01 0.00 0.00 54.79 54.22 3ddk n ASP 329 Cb 0.00 0.31 -0.03 0.00 -1.03 0.00 0.00 41.12 40.37 3ddk n ASP 329 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3ddk s ASP 330 N -3.52 7.15 0.03 -1.12 -1.08 -0.90 -4.65 116.67 112.58 3ddk s ASP 330 Ca 0.08 1.64 0.05 0.00 -0.52 0.00 0.00 52.55 53.81 3ddk s ASP 330 Cb 0.16 -2.56 -0.02 0.00 -1.46 0.00 0.00 42.92 39.04 3ddk s ASP 330 CO 0.72 -0.53 -0.15 -0.69 0.52 0.00 0.00 175.17 175.04 3ddk s VAL 331 N 2.23 1.22 -0.09 1.11 1.01 -1.26 -1.24 120.40 123.38 3ddk s VAL 331 Ca 0.51 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 3ddk s VAL 331 Cb -0.21 -1.08 0.05 0.00 0.00 0.00 0.00 36.38 35.14 3ddk s VAL 331 CO 0.19 0.09 0.20 -0.51 0.00 0.00 0.00 175.10 175.07 3ddk s ILE 332 N -0.76 -0.11 0.32 2.22 2.07 -0.98 -4.24 121.20 119.71 3ddk s ILE 332 Ca 0.03 0.20 -0.05 0.00 -1.41 0.00 0.00 60.65 59.42 3ddk s ILE 332 Cb -0.08 -0.33 0.00 0.00 0.13 0.00 0.00 42.46 42.19 3ddk s ILE 332 CO 0.01 0.08 0.47 0.00 -1.91 0.00 0.00 174.94 173.60 3ddk s ALA 333 N 1.49 0.49 0.06 1.50 0.00 0.03 -1.31 121.76 124.03 3ddk s ALA 333 Ca -0.07 -1.35 -0.15 0.00 0.00 0.00 0.00 51.96 50.39 3ddk s ALA 333 Cb -0.11 1.12 0.03 0.00 0.00 0.00 0.00 23.12 24.16 3ddk s ALA 333 CO -0.07 -0.80 0.35 -1.54 0.00 0.00 0.00 175.76 173.69 3ddk s SER 334 N -3.18 -0.18 -0.04 0.00 1.04 0.22 0.66 113.70 112.22 3ddk s SER 334 Ca 0.28 -0.19 -0.10 0.00 0.48 0.00 0.00 55.95 56.42 3ddk s SER 334 Cb -0.00 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.54 3ddk s SER 334 CO 0.17 -0.69 0.24 -0.47 0.98 0.00 0.00 173.24 173.46 3ddk s TYR 335 N -2.89 -0.14 0.57 5.02 5.04 -0.93 -1.47 117.35 122.56 3ddk s TYR 335 Ca -0.03 0.27 0.26 0.00 -2.44 0.00 0.00 57.07 55.14 3ddk s TYR 335 Cb 0.00 0.05 1.65 0.00 0.35 0.00 0.00 41.96 44.01 3ddk s TYR 335 CO -0.05 -0.27 2.20 -1.35 -1.34 0.00 0.00 175.55 174.73 3ddk h PRO 336 N 4.62 0.00 -6.22 4.97 0.11 -1.87 -0.92 132.00 132.68 3ddk h PRO 336 Ca -0.29 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.26 3ddk h PRO 336 Cb 1.19 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 3ddk h PRO 336 CO 0.38 0.00 -0.64 -1.58 -0.21 0.00 0.00 178.00 175.95 3ddk s TRP 337 N -4.75 2.72 0.54 0.65 0.51 -1.26 -4.55 118.94 112.80 3ddk s TRP 337 Ca -0.05 -0.21 -0.21 0.00 -2.12 0.00 0.00 56.10 53.50 3ddk s TRP 337 Cb 0.16 -1.22 -0.05 0.00 -0.81 0.00 0.00 33.47 31.55 3ddk s TRP 337 CO 0.58 0.61 1.30 -2.14 -0.51 0.00 0.00 176.95 176.79 3ddk s PRO 338 N -3.60 3.22 -0.01 4.98 0.02 -1.26 -4.78 135.00 133.57 3ddk s PRO 338 Ca 0.31 2.09 0.03 0.00 0.02 0.00 0.00 61.00 63.44 3ddk s PRO 338 Cb -0.07 -2.23 -0.00 0.00 0.02 0.00 0.00 34.50 32.22 3ddk s PRO 338 CO 0.20 -1.08 -0.08 0.42 -0.33 0.00 0.00 177.00 176.13 3ddk s ILE 339 N -1.39 0.70 -0.67 2.83 -1.09 -1.26 -5.10 121.20 115.23 3ddk s ILE 339 Ca 0.71 -0.35 -0.21 0.00 -2.23 0.00 0.00 60.65 58.57 3ddk s ILE 339 Cb -0.37 -0.61 0.08 0.00 -1.58 0.00 0.00 42.46 39.99 3ddk s ILE 339 CO 0.43 0.21 0.92 -0.62 -1.23 0.00 0.00 174.94 174.65 3ddk s ASP 340 N -0.02 6.21 0.58 3.58 -1.08 -1.26 -4.88 116.67 119.80 3ddk s ASP 340 Ca 0.01 -1.19 0.27 0.00 -0.52 0.00 0.00 52.55 51.12 3ddk s ASP 340 Cb -0.06 -2.39 1.67 0.00 -1.46 0.00 0.00 42.92 40.68 3ddk s ASP 340 CO -0.00 -1.33 2.19 0.00 0.52 0.00 0.00 175.17 176.55 3ddk h ALA 341 N 9.42 1.71 -0.34 3.66 0.00 -1.98 -0.79 119.26 130.95 3ddk h ALA 341 Ca -0.25 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3ddk h ALA 341 Cb 1.07 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3ddk h ALA 341 CO 1.16 -0.10 -0.17 0.66 0.00 0.00 0.00 179.25 180.81 3ddk h SER 342 N 0.00 0.60 -0.25 0.00 4.64 -1.90 0.08 113.55 116.72 3ddk h SER 342 Ca 0.03 -0.18 -0.04 0.00 -0.47 0.00 0.00 61.79 61.13 3ddk h SER 342 Cb 0.16 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3ddk h SER 342 CO -0.00 0.78 0.00 -0.07 -0.87 0.00 0.00 176.83 176.68 3ddk h LEU 343 N 0.55 0.43 -0.84 5.97 3.38 -1.56 -1.97 115.31 121.27 3ddk h LEU 343 Ca 0.09 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.78 3ddk h LEU 343 Cb 0.60 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3ddk h LEU 343 CO 0.04 0.63 0.55 -0.07 0.09 0.00 0.00 178.44 179.68 3ddk h LEU 344 N 0.22 0.92 -0.87 1.67 3.38 -1.32 -1.53 115.31 117.78 3ddk h LEU 344 Ca 0.07 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3ddk h LEU 344 Cb 0.41 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3ddk h LEU 344 CO 0.01 0.64 0.58 0.00 0.09 0.00 0.00 178.44 179.76 3ddk h ALA 345 N 1.34 1.11 -0.43 1.53 0.00 -0.73 0.12 119.26 122.20 3ddk h ALA 345 Ca 0.33 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 3ddk h ALA 345 Cb -0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3ddk h ALA 345 CO -0.10 0.50 -0.28 1.49 0.00 0.00 0.00 179.25 180.86 3ddk h GLU 346 N 1.17 0.93 -0.21 0.00 4.57 -0.90 -1.41 114.58 118.74 3ddk h GLU 346 Ca 0.32 -0.43 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 3ddk h GLU 346 Cb -0.13 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 3ddk h GLU 346 CO -0.07 1.09 -0.11 0.00 -1.18 0.00 0.00 179.01 178.73 3ddk h ALA 347 N 0.88 1.43 -0.40 2.92 0.00 -0.68 -2.36 119.26 121.05 3ddk h ALA 347 Ca 0.09 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3ddk h ALA 347 Cb 0.85 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3ddk h ALA 347 CO 0.08 0.40 -0.07 0.78 0.00 0.00 0.00 179.25 180.43 3ddk h GLY 348 N 0.80 0.81 0.59 0.00 0.00 -0.30 -2.57 103.07 102.40 3ddk h GLY 348 Ca 0.06 -0.65 0.19 0.00 0.00 0.00 0.00 47.33 46.93 3ddk h GLY 348 CO 0.02 0.59 0.51 1.70 0.00 0.00 0.00 176.54 179.37 3ddk h LYS 349 N 0.56 0.18 0.00 4.80 3.64 -0.73 0.82 116.57 125.83 3ddk h LYS 349 Ca 0.10 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3ddk h LYS 349 Cb 0.58 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3ddk h LYS 349 CO 0.03 0.12 0.00 0.78 -2.27 0.00 0.00 179.45 178.11 3ddk h GLY 350 N 0.18 0.00 -2.53 5.01 0.00 -1.27 -2.46 103.07 102.01 3ddk h GLY 350 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3ddk h GLY 350 CO -0.07 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.75 3ddk n TYR 351 N -3.00 1.32 -2.04 5.60 4.01 0.28 -4.94 117.16 118.39 3ddk n TYR 351 Ca 0.01 -0.69 -0.05 0.00 -0.16 0.00 0.00 57.90 57.01 3ddk n TYR 351 Cb 0.29 -0.29 -0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3ddk n TYR 351 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ddk n GLY 352 N 0.51 0.21 3.44 2.72 0.00 -0.92 -4.76 105.19 106.38 3ddk n GLY 352 Ca 0.23 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 3ddk n GLY 352 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddk s LEU 353 N -1.32 2.55 -0.50 0.99 1.43 -0.69 -4.69 118.68 116.44 3ddk s LEU 353 Ca 0.00 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 3ddk s LEU 353 Cb 0.00 -1.49 0.13 0.00 0.03 0.00 0.00 46.19 44.86 3ddk s LEU 353 CO 0.00 0.28 0.32 -0.63 0.23 0.00 0.00 176.35 176.55 3ddk s ILE 354 N -0.85 3.56 -0.11 -0.59 -1.09 -1.26 -2.92 121.20 117.94 3ddk s ILE 354 Ca 0.13 -2.40 -0.06 0.00 -2.23 0.00 0.00 60.65 56.09 3ddk s ILE 354 Cb -0.10 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 3ddk s ILE 354 CO 0.04 -0.78 0.11 -0.04 -1.23 0.00 0.00 174.94 173.04 3ddk s MET 355 N 0.67 3.35 0.14 2.79 -1.94 -1.26 -0.75 119.30 122.30 3ddk s MET 355 Ca 0.12 -0.19 0.00 0.00 -1.71 0.00 0.00 55.69 53.91 3ddk s MET 355 Cb -0.22 -3.11 -0.04 0.00 2.01 0.00 0.00 34.83 33.46 3ddk s MET 355 CO -0.04 0.76 0.02 0.95 -0.01 0.00 0.00 175.02 176.71 3ddk s THR 356 N -1.01 0.37 0.39 2.05 -4.23 0.26 -4.95 115.64 108.52 3ddk s THR 356 Ca 0.15 -1.93 -0.25 0.00 -1.18 0.00 0.00 61.69 58.48 3ddk s THR 356 Cb -0.12 -2.01 -0.11 0.00 1.34 0.00 0.00 72.50 71.60 3ddk s THR 356 CO 0.04 -0.54 1.06 -2.65 -0.54 0.00 0.00 174.62 172.00 3ddk n PRO 357 N -0.13 1.48 -1.68 3.99 -0.02 -1.26 -0.28 135.00 137.10 3ddk n PRO 357 Ca -0.07 0.53 -0.45 0.00 -2.02 0.00 0.00 63.50 61.49 3ddk n PRO 357 Cb 0.63 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 3ddk n PRO 357 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ddk n ALA 358 N -0.28 1.37 -3.58 3.55 0.00 -1.26 -2.77 120.51 117.54 3ddk n ALA 358 Ca 0.09 0.42 -0.22 0.00 0.00 0.00 0.00 53.44 53.72 3ddk n ALA 358 Cb 0.38 -2.32 0.05 0.00 0.00 0.00 0.00 19.45 17.56 3ddk n ALA 358 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ddk n ASP 359 N 2.51 -3.24 -4.16 0.00 8.00 -1.26 -2.78 116.55 115.62 3ddk n ASP 359 Ca 0.13 -0.82 -0.32 0.00 0.71 0.00 0.00 54.79 54.48 3ddk n ASP 359 Cb 0.31 -4.25 -0.08 0.00 -0.02 0.00 0.00 41.12 37.08 3ddk n ASP 359 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3ddk n LYS 360 N -4.03 -0.85 -1.64 -1.24 2.85 -1.12 -4.91 118.16 107.22 3ddk n LYS 360 Ca -0.21 0.10 -0.29 0.00 -1.05 0.00 0.00 58.31 56.86 3ddk n LYS 360 Cb 0.65 -3.64 0.11 0.00 -0.65 0.00 0.00 35.03 31.49 3ddk n LYS 360 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3ddk s GLY 361 N -3.67 1.60 0.04 2.58 0.00 -1.12 -4.99 107.32 101.76 3ddk s GLY 361 Ca 0.34 -0.44 -0.22 0.00 0.00 0.00 0.00 44.72 44.40 3ddk s GLY 361 CO 0.90 0.05 1.41 0.83 0.00 0.00 0.00 173.10 176.29 3ddk h GLU 362 N -1.22 0.22 -4.95 2.90 5.08 -1.92 -3.42 114.58 111.27 3ddk h GLU 362 Ca -0.48 -0.09 -0.44 0.00 -1.00 0.00 0.00 59.36 57.35 3ddk h GLU 362 Cb 1.31 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.41 3ddk h GLU 362 CO 0.62 0.54 -0.56 0.00 -1.00 0.00 0.00 179.01 178.61 3ddk n PHE 364 N -0.64 0.85 -0.49 0.00 3.72 -1.26 -4.75 117.46 114.89 3ddk n PHE 364 Ca -0.01 -2.00 -0.29 0.00 -0.05 0.00 0.00 57.45 55.10 3ddk n PHE 364 Cb 0.65 -1.86 0.23 0.00 -0.94 0.00 0.00 39.48 37.56 3ddk n PHE 364 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ddk n ASN 365 N 2.93 -2.58 -4.67 4.37 3.02 -1.26 -4.81 115.26 112.26 3ddk n ASN 365 Ca 0.54 -0.33 -0.42 0.00 -0.03 0.00 0.00 54.58 54.34 3ddk n ASN 365 Cb 0.64 -1.06 -0.03 0.00 -0.61 0.00 0.00 39.78 38.72 3ddk n ASN 365 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3ddk s GLU 366 N -4.10 4.14 -0.08 3.52 2.56 -1.26 -4.95 118.70 118.53 3ddk s GLU 366 Ca 0.61 2.62 -0.19 0.00 0.00 0.00 0.00 54.97 58.01 3ddk s GLU 366 Cb -0.17 -3.89 -0.04 0.00 2.00 0.00 0.00 34.13 32.02 3ddk s GLU 366 CO 0.61 -0.91 0.53 0.08 -0.56 0.00 0.00 175.26 175.01 3ddk s VAL 367 N 3.65 5.10 0.29 3.70 1.01 -1.26 -5.01 120.40 127.87 3ddk s VAL 367 Ca 0.85 1.07 0.04 0.00 0.00 0.00 0.00 61.98 63.95 3ddk s VAL 367 Cb -0.44 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 3ddk s VAL 367 CO 0.39 0.36 0.01 0.42 0.00 0.00 0.00 175.10 176.28 3ddk s THR 368 N 0.34 1.25 -1.09 3.92 -4.23 -1.26 -4.61 115.64 109.97 3ddk s THR 368 Ca 0.28 -2.04 0.14 0.00 -1.18 0.00 0.00 61.69 58.89 3ddk s THR 368 Cb -0.16 -2.58 0.14 0.00 1.34 0.00 0.00 72.50 71.24 3ddk s THR 368 CO 0.13 -0.17 1.43 0.79 -0.54 0.00 0.00 174.62 176.27 3ddk n TRP 369 N -0.58 0.00 0.01 3.99 7.02 -1.26 -0.83 117.44 125.79 3ddk n TRP 369 Ca -0.04 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.24 3ddk n TRP 369 Cb 0.65 -0.46 -0.14 0.00 -2.42 0.00 0.00 31.31 28.94 3ddk n TRP 369 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3ddk h THR 370 N 0.00 0.68 -0.00 -0.99 2.02 -1.95 -3.40 112.91 109.27 3ddk h THR 370 Ca 0.00 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.79 3ddk h THR 370 Cb 0.22 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 3ddk h THR 370 CO 0.00 0.87 -0.72 -0.46 0.37 0.00 0.00 175.52 175.57 3ddk n ASN 371 N -3.46 1.09 -4.78 4.18 2.04 -1.07 -4.80 115.26 108.45 3ddk n ASN 371 Ca -0.30 -1.04 -0.37 0.00 -0.44 0.00 0.00 54.58 52.43 3ddk n ASN 371 Cb 1.05 0.87 -0.03 0.00 -2.53 0.00 0.00 39.78 39.14 3ddk n ASN 371 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3ddk s VAL 372 N -2.54 3.43 0.13 3.53 0.11 -0.01 -4.89 120.40 120.17 3ddk s VAL 372 Ca 0.09 1.08 0.04 0.00 -2.93 0.00 0.00 61.98 60.26 3ddk s VAL 372 Cb 0.14 -3.55 -0.04 0.00 -1.53 0.00 0.00 36.38 31.39 3ddk s VAL 372 CO 0.66 -0.01 -0.10 0.42 -3.33 0.00 0.00 175.10 172.75 3ddk s THR 373 N -1.61 1.08 -0.21 5.04 -4.23 -1.26 -4.12 115.64 110.33 3ddk s THR 373 Ca 0.61 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 59.02 3ddk s THR 373 Cb -0.25 -1.75 0.07 0.00 1.34 0.00 0.00 72.50 71.90 3ddk s THR 373 CO 0.31 -0.73 0.50 0.12 -0.54 0.00 0.00 174.62 174.28 3ddk s PHE 374 N -3.22 -0.75 -1.44 3.99 5.36 -0.40 -4.84 117.98 116.68 3ddk s PHE 374 Ca 0.14 1.56 -0.09 0.00 -0.96 0.00 0.00 56.93 57.58 3ddk s PHE 374 Cb 0.02 0.38 0.05 0.00 -0.34 0.00 0.00 43.02 43.13 3ddk s PHE 374 CO -0.00 -0.40 0.69 1.28 -1.46 0.00 0.00 175.22 175.33 3ddk n LEU 375 N 4.22 -2.29 0.00 6.12 4.77 -1.26 -0.45 117.00 128.10 3ddk n LEU 375 Ca -0.22 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 3ddk n LEU 375 Cb 0.56 -2.58 0.00 0.00 -2.33 0.00 0.00 43.42 39.08 3ddk n LEU 375 CO 0.05 0.29 0.00 0.29 -1.33 0.00 0.00 177.39 176.69 3ddk n LYS 376 N -4.15 -0.05 -3.88 3.23 5.02 -1.26 -4.99 118.16 112.09 3ddk n LYS 376 Ca -0.03 0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 55.95 3ddk n LYS 376 Cb 0.57 -3.72 -0.04 0.00 -0.02 0.00 0.00 35.03 31.81 3ddk n LYS 376 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3ddk s ARG 377 N -0.62 3.47 0.68 1.97 0.52 0.40 -4.44 118.95 120.92 3ddk s ARG 377 Ca 0.00 -0.34 0.02 0.00 -0.52 0.00 0.00 55.73 54.89 3ddk s ARG 377 Cb 0.00 -3.04 0.11 0.00 0.52 0.00 0.00 34.95 32.54 3ddk s ARG 377 CO 0.00 0.62 0.93 0.71 0.02 0.00 0.00 175.30 177.58 3ddk s TYR 378 N -1.45 1.65 -0.13 -0.53 1.51 0.49 -1.27 117.35 117.61 3ddk s TYR 378 Ca 0.33 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 56.06 3ddk s TYR 378 Cb -0.13 -2.81 0.01 0.00 -0.11 0.00 0.00 41.96 38.92 3ddk s TYR 378 CO 0.24 -1.53 -0.22 -0.06 -1.11 0.00 0.00 175.55 172.87 3ddk s PHE 379 N -3.01 2.65 -0.18 2.71 0.40 -1.26 -1.41 117.98 117.88 3ddk s PHE 379 Ca 0.65 -1.31 -0.05 0.00 -0.60 0.00 0.00 56.93 55.62 3ddk s PHE 379 Cb -0.06 -1.80 0.07 0.00 0.51 0.00 0.00 43.02 41.74 3ddk s PHE 379 CO 0.43 -0.59 0.13 1.03 0.70 0.00 0.00 175.22 176.92 3ddk s ARG 380 N 0.76 0.11 0.37 0.44 1.81 -0.91 -4.74 118.95 116.78 3ddk s ARG 380 Ca -0.08 0.00 -0.28 0.00 -1.72 0.00 0.00 55.73 53.65 3ddk s ARG 380 Cb -0.16 -1.61 -0.11 0.00 -0.45 0.00 0.00 34.95 32.62 3ddk s ARG 380 CO -0.01 -0.68 1.48 0.00 -0.68 0.00 0.00 175.30 175.42 3ddk s ALA 381 N 2.20 3.57 0.38 2.13 0.00 -1.26 -0.19 121.76 128.59 3ddk s ALA 381 Ca 0.04 1.57 -0.28 0.00 0.00 0.00 0.00 51.96 53.29 3ddk s ALA 381 Cb -0.16 -3.61 -0.10 0.00 0.00 0.00 0.00 23.12 19.25 3ddk s ALA 381 CO -0.11 -1.05 1.41 0.34 0.00 0.00 0.00 175.76 176.35 3ddk s ASP 382 N -0.15 6.40 0.29 0.00 2.15 0.21 -4.83 116.67 120.74 3ddk s ASP 382 Ca 0.53 2.88 0.00 0.00 0.43 0.00 0.00 52.55 56.39 3ddk s ASP 382 Cb -0.46 -2.66 0.43 0.00 -0.30 0.00 0.00 42.92 39.93 3ddk s ASP 382 CO 0.63 -0.81 1.82 -0.33 -0.17 0.00 0.00 175.17 176.30 3ddk h GLU 383 N 2.98 0.73 0.11 4.34 5.08 -1.91 -3.17 114.58 122.73 3ddk h GLU 383 Ca -0.50 -0.17 -0.35 0.00 -1.00 0.00 0.00 59.36 57.34 3ddk h GLU 383 Cb 1.24 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 3ddk h GLU 383 CO 0.64 0.71 -1.96 1.04 -1.00 0.00 0.00 179.01 178.44 3ddk n GLN 384 N -4.25 0.74 -3.82 2.33 1.13 -1.26 -4.63 117.38 107.62 3ddk n GLN 384 Ca 0.03 0.27 -0.32 0.00 -1.94 0.00 0.00 57.00 55.03 3ddk n GLN 384 Cb 0.26 -1.72 -0.11 0.00 0.11 0.00 0.00 30.24 28.78 3ddk n GLN 384 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3ddk s TYR 385 N -2.56 3.49 0.48 1.08 1.51 -1.24 -4.97 117.35 115.14 3ddk s TYR 385 Ca -0.20 -3.09 0.27 0.00 -1.01 0.00 0.00 57.07 53.04 3ddk s TYR 385 Cb 0.07 -2.96 1.34 0.00 -0.11 0.00 0.00 41.96 40.29 3ddk s TYR 385 CO 0.78 -0.71 1.84 -1.35 -1.11 0.00 0.00 175.55 175.00 3ddk h PRO 386 N 6.20 0.16 0.00 -1.71 0.11 -1.81 -0.45 132.00 134.50 3ddk h PRO 386 Ca 0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3ddk h PRO 386 Cb 0.85 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3ddk h PRO 386 CO 0.74 0.11 0.00 1.97 -0.21 0.00 0.00 178.00 180.60 3ddk n PHE 387 N -4.38 0.28 -3.72 0.65 1.16 -1.26 -4.56 117.46 105.64 3ddk n PHE 387 Ca 0.22 0.09 -0.36 0.00 -1.87 0.00 0.00 57.45 55.53 3ddk n PHE 387 Cb 0.96 -0.65 -0.07 0.00 -1.61 0.00 0.00 39.48 38.11 3ddk n PHE 387 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3ddk s LEU 388 N -3.48 4.26 -0.10 5.98 1.43 -0.18 -4.87 118.68 121.71 3ddk s LEU 388 Ca 0.11 0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 3ddk s LEU 388 Cb 0.15 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 3ddk s LEU 388 CO 0.48 0.21 -0.17 -0.69 0.23 0.00 0.00 176.35 176.41 3ddk s VAL 389 N 0.08 2.69 -0.02 -1.59 1.01 -1.26 -0.62 120.40 120.69 3ddk s VAL 389 Ca 0.11 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 61.04 3ddk s VAL 389 Cb -0.12 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 3ddk s VAL 389 CO 0.01 0.55 0.78 -1.00 0.00 0.00 0.00 175.10 175.43 3ddk s HIS 390 N 0.15 3.64 -0.36 5.22 3.76 0.74 -4.20 115.29 124.24 3ddk s HIS 390 Ca -0.09 1.41 -0.23 0.00 -0.15 0.00 0.00 55.06 56.00 3ddk s HIS 390 Cb -0.15 -2.88 0.01 0.00 1.11 0.00 0.00 32.58 30.67 3ddk s HIS 390 CO 0.06 0.12 0.78 -1.25 -0.85 0.00 0.00 174.74 173.60 3ddk s PRO 391 N 0.59 3.78 -0.46 8.40 0.04 -1.26 -2.15 135.00 143.94 3ddk s PRO 391 Ca 0.41 0.34 -0.11 0.00 0.04 0.00 0.00 61.00 61.67 3ddk s PRO 391 Cb -0.19 -3.80 0.09 0.00 0.04 0.00 0.00 34.50 30.64 3ddk s PRO 391 CO 0.22 -0.83 0.33 0.08 0.04 0.00 0.00 177.00 176.84 3ddk s VAL 392 N 3.07 4.53 -0.13 -0.36 1.01 -0.50 -4.81 120.40 123.21 3ddk s VAL 392 Ca 0.31 -1.44 -0.27 0.00 0.00 0.00 0.00 61.98 60.58 3ddk s VAL 392 Cb -0.13 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3ddk s VAL 392 CO 0.16 -0.63 0.89 -0.32 0.00 0.00 0.00 175.10 175.21 3ddk s MET 393 N 1.47 4.37 0.20 2.72 0.00 -1.26 -0.38 119.30 126.42 3ddk s MET 393 Ca 0.04 1.16 -0.33 0.00 0.00 0.00 0.00 55.69 56.56 3ddk s MET 393 Cb -0.25 -3.55 -0.14 0.00 0.00 0.00 0.00 34.83 30.90 3ddk s MET 393 CO 0.02 -0.27 1.47 -2.30 0.00 0.00 0.00 175.02 173.94 3ddk n PRO 394 N 4.95 2.03 0.03 4.11 -0.02 -1.26 -4.84 135.00 140.00 3ddk n PRO 394 Ca 0.06 0.73 0.20 0.00 -2.02 0.00 0.00 63.50 62.46 3ddk n PRO 394 Cb 0.49 -2.43 0.71 0.00 -0.02 0.00 0.00 33.50 32.25 3ddk n PRO 394 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3ddk h MET 395 N 4.92 0.00 -0.46 -0.52 2.86 -1.96 -0.72 114.93 119.06 3ddk h MET 395 Ca -0.45 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.21 3ddk h MET 395 Cb 1.27 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.90 3ddk h MET 395 CO 0.81 0.00 0.28 -0.22 1.06 0.00 0.00 176.91 178.84 3ddk h LYS 396 N 0.00 0.54 -0.35 1.72 3.64 -1.99 0.79 116.57 120.93 3ddk h LYS 396 Ca 0.23 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 3ddk h LYS 396 Cb 0.95 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 3ddk h LYS 396 CO -0.00 0.36 -0.15 -0.44 -2.27 0.00 0.00 179.45 176.94 3ddk h ASP 397 N 0.56 0.62 -0.63 4.20 3.32 -1.49 -1.17 116.42 121.83 3ddk h ASP 397 Ca 0.18 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3ddk h ASP 397 Cb 0.00 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3ddk h ASP 397 CO -0.08 0.79 0.06 0.40 -1.72 0.00 0.00 179.24 178.70 3ddk h ILE 398 N 0.57 1.26 -0.65 0.35 2.04 -1.16 -1.64 117.51 118.29 3ddk h ILE 398 Ca 0.10 -1.08 -0.06 0.00 1.00 0.00 0.00 64.86 64.82 3ddk h ILE 398 Cb 0.59 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3ddk h ILE 398 CO 0.04 0.40 0.18 0.45 0.00 0.00 0.00 178.15 179.21 3ddk h HIS 399 N 0.98 1.05 -0.30 1.37 3.86 -0.47 -1.54 115.15 120.10 3ddk h HIS 399 Ca 0.19 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 3ddk h HIS 399 Cb 0.49 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 3ddk h HIS 399 CO 0.04 0.85 0.07 0.93 0.86 0.00 0.00 177.93 180.68 3ddk h GLU 400 N 0.97 0.48 -0.52 2.45 4.39 -0.90 -3.18 114.58 118.27 3ddk h GLU 400 Ca 0.21 -0.12 -0.07 0.00 0.34 0.00 0.00 59.36 59.72 3ddk h GLU 400 Cb 0.32 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3ddk h GLU 400 CO -0.00 0.56 0.04 1.03 -1.16 0.00 0.00 179.01 179.48 3ddk h SER 401 N 0.31 0.87 0.72 1.42 0.87 -1.06 -3.15 113.55 113.55 3ddk h SER 401 Ca 0.09 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 3ddk h SER 401 Cb 0.30 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 3ddk h SER 401 CO 0.00 0.94 0.00 0.00 -0.53 0.00 0.00 176.83 177.24 3ddk n ILE 402 N -4.33 0.82 1.45 2.23 3.06 -0.60 -2.76 119.36 119.23 3ddk n ILE 402 Ca 0.02 0.24 0.15 0.00 -2.50 0.00 0.00 62.75 60.66 3ddk n ILE 402 Cb 0.29 -1.19 0.75 0.00 0.54 0.00 0.00 39.64 40.03 3ddk n ILE 402 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 3ddk n ARG 403 N -2.29 0.49 -4.20 9.51 1.74 -1.19 -4.49 116.66 116.23 3ddk n ARG 403 Ca 0.02 -0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 56.95 3ddk n ARG 403 Cb 0.23 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.07 3ddk n ARG 403 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3ddk s TRP 404 N -2.53 1.05 -0.04 -1.55 0.52 -1.11 -1.28 118.94 114.00 3ddk s TRP 404 Ca 0.30 -1.10 -0.28 0.00 0.02 0.00 0.00 56.10 55.03 3ddk s TRP 404 Cb 0.20 -0.60 0.06 0.00 -1.15 0.00 0.00 33.47 31.99 3ddk s TRP 404 CO 0.46 -0.34 0.61 -0.08 0.02 0.00 0.00 176.95 177.62 3ddk s THR 405 N -3.82 0.01 -0.09 2.01 -1.32 -0.73 -4.72 115.64 106.98 3ddk s THR 405 Ca 0.23 -0.09 0.21 0.00 -1.21 0.00 0.00 61.69 60.83 3ddk s THR 405 Cb 0.07 -0.93 -0.28 0.00 -1.51 0.00 0.00 72.50 69.86 3ddk s THR 405 CO 0.02 -0.05 0.46 0.29 -2.21 0.00 0.00 174.62 173.14 3ddk n LYS 406 N 0.98 0.66 -3.27 7.08 5.02 -1.26 -1.29 118.16 126.08 3ddk n LYS 406 Ca -0.20 -0.10 -0.06 0.00 -2.02 0.00 0.00 58.31 55.93 3ddk n LYS 406 Cb 0.57 -1.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 3ddk n LYS 406 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ddk s ASP 407 N -4.90 -0.05 0.66 4.39 2.15 -1.26 -4.83 116.67 112.83 3ddk s ASP 407 Ca -0.07 -0.27 0.24 0.00 0.43 0.00 0.00 52.55 52.87 3ddk s ASP 407 Cb 0.11 1.30 1.27 0.00 -0.30 0.00 0.00 42.92 45.31 3ddk s ASP 407 CO 0.87 -0.34 1.72 -0.65 -0.17 0.00 0.00 175.17 176.60 3ddk h PRO 408 N 8.12 0.00 0.00 4.34 0.11 -1.98 0.40 132.00 142.98 3ddk h PRO 408 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3ddk h PRO 408 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3ddk h PRO 408 CO 0.24 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.66 3ddk n LYS 409 N -2.89 0.02 -0.46 1.05 5.02 -1.26 -2.56 118.16 117.08 3ddk n LYS 409 Ca -0.00 0.18 0.08 0.00 -2.02 0.00 0.00 58.31 56.54 3ddk n LYS 409 Cb 0.55 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 34.34 3ddk n LYS 409 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ddk n ASN 410 N -1.48 4.05 -0.12 4.39 3.02 0.13 -4.71 115.26 120.54 3ddk n ASN 410 Ca 0.05 -2.63 -0.05 0.00 -0.03 0.00 0.00 54.58 51.92 3ddk n ASN 410 Cb 0.21 -0.49 0.01 0.00 -0.61 0.00 0.00 39.78 38.90 3ddk n ASN 410 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3ddk h THR 411 N 2.61 0.55 -0.48 3.41 2.02 -1.67 0.14 112.91 119.49 3ddk h THR 411 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 3ddk h THR 411 Cb 1.33 0.55 -0.08 0.00 -1.74 0.00 0.00 68.15 68.21 3ddk h THR 411 CO 0.20 0.00 0.01 -0.61 0.37 0.00 0.00 175.52 175.49 3ddk h GLN 412 N -0.04 0.12 -0.34 6.66 5.75 -1.87 0.13 115.11 125.52 3ddk h GLN 412 Ca 0.19 -0.01 -0.13 0.00 -0.15 0.00 0.00 58.65 58.56 3ddk h GLN 412 Cb 0.33 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 3ddk h GLN 412 CO -0.43 0.08 -0.29 -0.44 -2.65 0.00 0.00 178.83 175.10 3ddk h ASP 413 N 0.12 0.85 0.59 -0.69 3.32 -1.75 -2.10 116.42 116.75 3ddk h ASP 413 Ca 0.24 -0.45 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 3ddk h ASP 413 Cb 0.36 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.68 3ddk h ASP 413 CO -0.40 1.13 -0.28 -0.74 -1.72 0.00 0.00 179.24 177.23 3ddk h HIS 414 N 0.59 -0.73 -0.93 4.55 2.76 -0.19 -1.22 115.15 119.97 3ddk h HIS 414 Ca 0.06 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3ddk h HIS 414 Cb 0.87 0.24 -0.05 0.00 1.55 0.00 0.00 27.41 30.02 3ddk h HIS 414 CO 0.07 -0.43 0.57 0.28 -1.30 0.00 0.00 177.93 177.11 3ddk h VAL 415 N -0.85 1.25 -0.71 5.26 2.07 -0.83 -1.61 116.25 120.84 3ddk h VAL 415 Ca -0.08 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 3ddk h VAL 415 Cb 0.63 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3ddk h VAL 415 CO 0.13 0.27 0.23 -0.09 0.02 0.00 0.00 177.57 178.13 3ddk h ARG 416 N 1.28 1.10 -0.61 1.57 2.43 -1.32 0.17 114.38 119.01 3ddk h ARG 416 Ca 0.34 -0.23 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 3ddk h ARG 416 Cb -0.06 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.28 3ddk h ARG 416 CO -0.06 0.94 0.36 0.77 -1.51 0.00 0.00 179.97 180.46 3ddk h SER 417 N 1.04 0.56 -0.24 -3.80 0.02 -0.52 -0.93 113.55 109.69 3ddk h SER 417 Ca 0.23 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.12 3ddk h SER 417 Cb 0.30 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 3ddk h SER 417 CO -0.01 0.38 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.90 3ddk h LEU 418 N 0.69 0.60 -0.73 5.07 3.38 -0.84 -2.55 115.31 120.93 3ddk h LEU 418 Ca 0.26 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3ddk h LEU 418 Cb 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3ddk h LEU 418 CO -0.13 0.73 0.37 0.00 0.09 0.00 0.00 178.44 179.50 3ddk h LEU 420 N 1.01 0.00 0.06 0.00 3.38 -0.79 -2.54 115.31 116.43 3ddk h LEU 420 Ca 0.25 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.85 3ddk h LEU 420 Cb 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3ddk h LEU 420 CO -0.03 0.01 -2.19 0.18 0.09 0.00 0.00 178.44 176.49 3ddk n LEU 421 N -3.28 2.50 -0.21 1.67 4.77 -0.62 -4.62 117.00 117.21 3ddk n LEU 421 Ca -0.03 0.07 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 3ddk n LEU 421 Cb 0.10 -0.86 0.02 0.00 -2.33 0.00 0.00 43.42 40.36 3ddk n LEU 421 CO 0.23 0.84 0.90 0.00 -1.33 0.00 0.00 177.39 178.03 3ddk h ALA 422 N 0.16 0.77 -0.29 -1.18 0.00 -0.41 -3.26 119.26 115.05 3ddk h ALA 422 Ca -0.48 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.28 3ddk h ALA 422 Cb 1.99 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 3ddk h ALA 422 CO 0.01 0.49 0.21 0.11 0.00 0.00 0.00 179.25 180.07 3ddk h TRP 423 N 0.85 0.00 0.00 0.00 5.08 -1.76 0.35 115.95 120.46 3ddk h TRP 423 Ca 0.18 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.15 3ddk h TRP 423 Cb 0.37 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.53 3ddk h TRP 423 CO 0.03 0.00 0.01 0.72 -1.28 0.00 0.00 178.44 177.91 3ddk n HIS 424 N -4.42 0.31 1.64 0.12 8.25 -1.23 -0.28 115.22 119.61 3ddk n HIS 424 Ca 0.04 0.16 0.13 0.00 -0.26 0.00 0.00 57.72 57.79 3ddk n HIS 424 Cb 0.38 -0.75 0.61 0.00 1.12 0.00 0.00 29.99 31.34 3ddk n HIS 424 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3ddk n ASN 425 N -1.81 0.93 0.00 0.41 3.02 0.11 -4.84 115.26 113.08 3ddk n ASN 425 Ca -0.01 -1.40 0.00 0.00 -0.03 0.00 0.00 54.58 53.15 3ddk n ASN 425 Cb 0.02 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3ddk n ASN 425 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ddk n GLY 426 N 1.07 2.60 0.22 7.41 0.00 0.62 -4.58 105.19 112.53 3ddk n GLY 426 Ca 0.19 -1.85 -0.08 0.00 0.00 0.00 0.00 46.02 44.28 3ddk n GLY 426 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ddk h GLU 427 N 0.00 0.72 0.33 1.61 4.81 -1.95 0.21 114.58 120.31 3ddk h GLU 427 Ca 0.00 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 3ddk h GLU 427 Cb 0.00 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3ddk h GLU 427 CO 0.00 0.63 -0.16 1.25 -0.73 0.00 0.00 179.01 180.00 3ddk h HIS 428 N 0.65 -0.42 -0.76 0.92 2.76 -1.97 0.47 115.15 116.81 3ddk h HIS 428 Ca 0.17 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.42 3ddk h HIS 428 Cb 0.16 0.14 -0.07 0.00 1.55 0.00 0.00 27.41 29.19 3ddk h HIS 428 CO -0.00 -0.26 0.40 0.93 -1.30 0.00 0.00 177.93 177.70 3ddk h GLU 429 N -0.45 0.66 -0.20 5.26 4.39 -1.78 -1.75 114.58 120.71 3ddk h GLU 429 Ca -0.04 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 3ddk h GLU 429 Cb 0.35 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3ddk h GLU 429 CO 0.07 0.43 0.10 -0.92 -1.16 0.00 0.00 179.01 177.53 3ddk h TYR 430 N 0.68 0.28 -0.74 4.33 3.20 -0.56 -1.96 116.97 122.20 3ddk h TYR 430 Ca 0.37 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.26 3ddk h TYR 430 Cb 0.38 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 3ddk h TYR 430 CO -0.09 0.28 0.49 0.93 -1.64 0.00 0.00 178.16 178.13 3ddk h GLU 431 N 0.20 0.90 -0.32 1.82 4.39 -0.31 -0.22 114.58 121.04 3ddk h GLU 431 Ca 0.07 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 3ddk h GLU 431 Cb 0.10 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 3ddk h GLU 431 CO -0.01 0.59 -0.18 1.49 -1.16 0.00 0.00 179.01 179.74 3ddk h GLU 432 N 0.92 0.68 -0.56 2.33 4.81 -1.10 0.55 114.58 122.22 3ddk h GLU 432 Ca 0.29 -0.31 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3ddk h GLU 432 Cb 0.01 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 3ddk h GLU 432 CO -0.08 0.91 0.26 0.35 -0.73 0.00 0.00 179.01 179.72 3ddk h PHE 433 N 0.44 0.47 -0.44 0.92 3.57 -0.69 -0.89 116.94 120.32 3ddk h PHE 433 Ca 0.07 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.46 3ddk h PHE 433 Cb 0.73 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3ddk h PHE 433 CO 0.06 0.20 -0.24 0.82 -2.23 0.00 0.00 178.31 176.91 3ddk h ILE 434 N 0.49 1.27 -0.20 1.41 1.08 -0.91 -2.08 117.51 118.57 3ddk h ILE 434 Ca 0.26 -1.41 0.01 0.00 -0.39 0.00 0.00 64.86 63.33 3ddk h ILE 434 Cb 0.22 1.23 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 3ddk h ILE 434 CO -0.21 0.48 0.11 -0.09 -0.69 0.00 0.00 178.15 177.74 3ddk h ARG 435 N 0.77 0.22 -0.23 2.37 2.43 -0.28 -0.72 114.38 118.93 3ddk h ARG 435 Ca 0.09 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 3ddk h ARG 435 Cb 0.82 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 3ddk h ARG 435 CO 0.07 0.14 -0.20 0.87 -1.51 0.00 0.00 179.97 179.34 3ddk h LYS 436 N 0.22 0.41 -0.59 0.20 1.57 -1.16 -1.76 116.57 115.46 3ddk h LYS 436 Ca 0.08 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 3ddk h LYS 436 Cb 0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3ddk h LYS 436 CO -0.04 0.59 0.16 0.82 -0.57 0.00 0.00 179.45 180.41 3ddk h ILE 437 N 0.37 1.25 0.00 1.86 2.04 -0.97 -2.16 117.51 119.90 3ddk h ILE 437 Ca 0.06 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3ddk h ILE 437 Cb 0.56 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3ddk h ILE 437 CO 0.04 0.33 0.00 0.54 0.00 0.00 0.00 178.15 179.06 3ddk n ARG 438 N -4.37 0.54 -0.02 2.37 1.74 -0.31 -2.80 116.66 113.81 3ddk n ARG 438 Ca 0.03 0.03 0.10 0.00 -0.77 0.00 0.00 57.85 57.25 3ddk n ARG 438 Cb 0.23 -1.50 0.54 0.00 -1.02 0.00 0.00 32.46 30.71 3ddk n ARG 438 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3ddk n SER 439 N -1.17 0.43 -4.19 0.55 3.41 -0.71 -4.61 113.62 107.33 3ddk n SER 439 Ca 0.15 -1.46 -0.28 0.00 -0.26 0.00 0.00 58.87 57.03 3ddk n SER 439 Cb 0.15 -0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 63.92 3ddk n SER 439 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ddk s VAL 440 N -1.95 1.64 0.25 -3.33 1.01 -1.12 -5.06 120.40 111.84 3ddk s VAL 440 Ca 0.31 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 3ddk s VAL 440 Cb 0.15 -1.39 0.26 0.00 0.00 0.00 0.00 36.38 35.40 3ddk s VAL 440 CO 0.24 0.46 1.66 -0.65 0.00 0.00 0.00 175.10 176.81 3ddk h PRO 441 N 6.03 0.18 -0.97 2.72 0.11 -1.87 0.81 132.00 139.01 3ddk h PRO 441 Ca -0.34 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.90 3ddk h PRO 441 Cb 1.16 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.15 3ddk h PRO 441 CO 0.48 0.12 0.61 0.28 -0.21 0.00 0.00 178.00 179.27 3ddk h VAL 442 N 0.18 0.84 -0.84 3.15 2.07 -1.95 -1.54 116.25 118.17 3ddk h VAL 442 Ca 0.43 -0.29 0.13 0.00 0.82 0.00 0.00 66.70 67.79 3ddk h VAL 442 Cb 0.76 -0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 3ddk h VAL 442 CO -0.59 0.15 0.54 1.23 0.02 0.00 0.00 177.57 178.92 3ddk h GLY 443 N 0.83 1.07 0.21 2.17 0.00 -0.92 0.51 103.07 106.94 3ddk h GLY 443 Ca 0.50 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3ddk h GLY 443 CO -0.27 0.11 0.00 0.54 0.00 0.00 0.00 176.54 176.93 3ddk n ARG 444 N -4.53 1.27 0.00 4.80 1.74 -0.58 -3.05 116.66 116.30 3ddk n ARG 444 Ca 0.15 -0.39 0.08 0.00 -0.77 0.00 0.00 57.85 56.92 3ddk n ARG 444 Cb 0.43 -1.39 0.02 0.00 -1.02 0.00 0.00 32.46 30.50 3ddk n ARG 444 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ddk s LEU 446 N -1.75 4.30 -0.62 0.00 1.43 -1.13 -5.03 118.68 115.87 3ddk s LEU 446 Ca 0.15 0.65 -0.21 0.00 -1.03 0.00 0.00 54.13 53.69 3ddk s LEU 446 Cb 0.13 -3.14 0.09 0.00 0.03 0.00 0.00 46.19 43.30 3ddk s LEU 446 CO 0.32 0.11 0.83 -0.89 0.23 0.00 0.00 176.35 176.94 3ddk s THR 447 N -1.54 4.59 -0.18 5.49 2.01 -1.26 -5.02 115.64 119.73 3ddk s THR 447 Ca 0.37 -0.70 -0.07 0.00 0.31 0.00 0.00 61.69 61.60 3ddk s THR 447 Cb -0.13 -4.58 -0.04 0.00 0.01 0.00 0.00 72.50 67.76 3ddk s THR 447 CO 0.22 -1.28 0.06 -0.76 -0.69 0.00 0.00 174.62 172.17 3ddk s LEU 448 N 3.33 3.83 0.43 4.42 1.43 -1.26 -4.91 118.68 125.94 3ddk s LEU 448 Ca 0.16 0.09 -0.25 0.00 -1.03 0.00 0.00 54.13 53.11 3ddk s LEU 448 Cb -0.21 -1.97 -0.08 0.00 0.03 0.00 0.00 46.19 43.97 3ddk s LEU 448 CO 0.08 0.18 1.25 -2.16 0.23 0.00 0.00 176.35 175.94 3ddk s PRO 449 N 0.32 3.87 0.35 1.29 0.04 -1.26 -5.00 135.00 134.60 3ddk s PRO 449 Ca 0.03 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 62.87 3ddk s PRO 449 Cb -0.12 -2.63 -0.10 0.00 0.04 0.00 0.00 34.50 31.69 3ddk s PRO 449 CO 0.00 -0.53 0.90 0.00 0.04 0.00 0.00 177.00 177.41 3ddk s ALA 450 N -1.35 3.19 0.12 8.56 0.00 -1.26 -4.93 121.76 126.10 3ddk s ALA 450 Ca 0.59 0.40 -0.33 0.00 0.00 0.00 0.00 51.96 52.63 3ddk s ALA 450 Cb -0.35 -3.10 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 3ddk s ALA 450 CO 0.44 0.19 1.54 0.35 0.00 0.00 0.00 175.76 178.28 3ddk h PHE 451 N 2.73 -1.65 -1.02 0.00 3.57 -1.99 -0.37 116.94 118.20 3ddk h PHE 451 Ca -0.48 0.07 0.30 0.00 3.53 0.00 0.00 57.97 61.39 3ddk h PHE 451 Cb 1.19 0.76 -0.04 0.00 2.79 0.00 0.00 35.95 40.64 3ddk h PHE 451 CO 0.62 -0.51 0.75 0.66 -2.23 0.00 0.00 178.31 177.60 3ddk h SER 452 N -0.48 0.00 0.09 0.41 4.64 -1.99 0.24 113.55 116.47 3ddk h SER 452 Ca 0.05 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.12 3ddk h SER 452 Cb 0.63 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.74 3ddk h SER 452 CO -0.52 0.00 -1.05 0.74 -0.87 0.00 0.00 176.83 175.13 3ddk h THR 453 N 0.00 1.34 -0.50 2.95 2.02 -1.49 -1.77 112.91 115.46 3ddk h THR 453 Ca 0.48 -2.38 -0.02 0.00 0.77 0.00 0.00 66.41 65.26 3ddk h THR 453 Cb 1.98 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 71.09 3ddk h THR 453 CO -0.01 0.71 0.23 -0.07 0.37 0.00 0.00 175.52 176.76 3ddk h LEU 454 N 0.12 0.66 -0.45 2.58 3.38 0.33 -1.10 115.31 120.82 3ddk h LEU 454 Ca -0.16 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 3ddk h LEU 454 Cb 1.75 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 3ddk h LEU 454 CO 0.20 0.61 0.12 -0.09 0.09 0.00 0.00 178.44 179.38 3ddk h ARG 455 N 0.66 0.72 -0.18 1.13 2.43 -1.06 -1.28 114.38 116.79 3ddk h ARG 455 Ca 0.17 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ddk h ARG 455 Cb 0.14 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3ddk h ARG 455 CO -0.02 0.71 0.09 -0.09 -1.51 0.00 0.00 179.97 179.15 3ddk h ARG 456 N 0.60 0.25 -0.37 0.20 2.43 -1.12 -0.58 114.38 115.79 3ddk h ARG 456 Ca 0.14 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3ddk h ARG 456 Cb 0.31 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3ddk h ARG 456 CO -0.00 0.26 -0.04 0.87 -1.51 0.00 0.00 179.97 179.55 3ddk h LYS 457 N 0.18 0.60 -0.11 0.20 1.57 -1.15 -0.75 116.57 117.12 3ddk h LYS 457 Ca 0.06 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3ddk h LYS 457 Cb 0.08 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 3ddk h LYS 457 CO -0.01 0.66 0.03 2.35 -0.57 0.00 0.00 179.45 181.90 3ddk h TRP 458 N 0.57 0.18 -0.89 -1.35 7.01 -0.92 -0.47 115.95 120.08 3ddk h TRP 458 Ca 0.11 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 3ddk h TRP 458 Cb 0.43 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.39 3ddk h TRP 458 CO 0.02 0.34 0.49 -0.07 -2.79 0.00 0.00 178.44 176.44 3ddk h LEU 459 N -0.04 1.10 -1.16 0.65 3.38 -0.87 -2.34 115.31 116.02 3ddk h LEU 459 Ca 0.03 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3ddk h LEU 459 Cb 0.26 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3ddk h LEU 459 CO 0.00 0.87 -0.20 0.44 0.09 0.00 0.00 178.44 179.64 3ddk h ASP 460 N 1.24 0.00 0.40 -0.43 3.32 -0.93 -3.09 116.42 116.92 3ddk h ASP 460 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3ddk h ASP 460 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3ddk h ASP 460 CO -0.05 0.20 0.00 0.77 -1.72 0.00 0.00 179.24 178.44 3ddk h SER 461 N 0.00 0.00 -0.01 6.45 4.64 -0.50 -3.51 113.55 120.62 3ddk h SER 461 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ddk h SER 461 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3ddk h SER 461 CO 0.03 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.48