#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tka s PHE 4 N 0.00 2.39 0.16 1.08 0.40 -1.26 -5.11 117.98 115.65 1tka s PHE 4 Ca 0.00 -0.37 0.03 0.00 -0.60 0.00 0.00 56.93 55.99 1tka s PHE 4 Cb 0.00 -1.16 -0.01 0.00 0.51 0.00 0.00 43.02 42.36 1tka s PHE 4 CO 0.00 0.65 0.11 0.25 0.70 0.00 0.00 175.22 176.93 1tka n THR 5 N -0.73 0.00 -0.32 0.64 -2.24 -1.26 -5.01 114.28 105.37 1tka n THR 5 Ca -0.05 -1.10 0.20 0.00 -2.27 0.00 0.00 64.05 60.83 1tka n THR 5 Cb 0.61 0.50 0.46 0.00 -2.10 0.00 0.00 70.33 69.80 1tka n THR 5 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1tka h ASP 6 N 0.86 0.53 0.44 3.42 3.32 -2.01 0.73 116.42 123.71 1tka h ASP 6 Ca -0.12 0.08 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 1tka h ASP 6 Cb 0.55 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1tka h ASP 6 CO 0.18 0.14 -0.52 -0.29 -1.72 0.00 0.00 179.24 177.03 1tka h ILE 7 N 0.49 1.37 -0.39 0.35 6.09 -1.98 0.74 117.51 124.17 1tka h ILE 7 Ca 0.57 -1.80 -0.10 0.00 -1.37 0.00 0.00 64.86 62.17 1tka h ILE 7 Cb 1.30 1.93 -0.02 0.00 0.47 0.00 0.00 36.82 40.50 1tka h ILE 7 CO -0.30 0.52 -0.16 0.44 -3.07 0.00 0.00 178.15 175.58 1tka h ASP 8 N 0.08 0.71 0.18 2.19 3.32 -1.25 0.27 116.42 121.92 1tka h ASP 8 Ca -0.00 -0.23 -0.22 0.00 0.02 0.00 0.00 57.03 56.60 1tka h ASP 8 Cb 0.95 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1tka h ASP 8 CO 0.07 0.88 -0.87 0.11 -1.72 0.00 0.00 179.24 177.72 1tka h LYS 9 N 0.64 0.52 -0.53 3.56 1.57 -1.04 -1.72 116.57 119.58 1tka h LYS 9 Ca 0.10 -0.50 -0.09 0.00 -1.87 0.00 0.00 60.65 58.29 1tka h LYS 9 Cb 0.63 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1tka h LYS 9 CO 0.04 1.13 -0.04 1.25 -0.57 0.00 0.00 179.45 181.27 1tka h LEU 10 N 0.33 0.92 -0.28 2.94 5.85 -0.37 -2.16 115.31 122.53 1tka h LEU 10 Ca -0.07 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 1tka h LEU 10 Cb 1.49 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1tka h LEU 10 CO 0.16 1.00 0.17 0.00 -0.34 0.00 0.00 178.44 179.42 1tka h ALA 11 N 1.09 0.35 -0.38 1.25 0.00 -0.36 -0.27 119.26 120.94 1tka h ALA 11 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1tka h ALA 11 Cb 0.55 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1tka h ALA 11 CO 0.03 -0.15 0.24 0.28 0.00 0.00 0.00 179.25 179.66 1tka h VAL 12 N 0.35 1.11 -0.37 0.00 2.07 -1.15 -1.03 116.25 117.23 1tka h VAL 12 Ca 0.10 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1tka h VAL 12 Cb 0.01 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1tka h VAL 12 CO -0.02 0.11 0.13 0.28 0.02 0.00 0.00 177.57 178.09 1tka h SER 13 N 0.51 0.14 -0.83 0.57 0.02 -1.06 -1.47 113.55 111.43 1tka h SER 13 Ca 0.14 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.20 1tka h SER 13 Cb -0.03 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.48 1tka h SER 13 CO -0.03 0.12 0.54 0.74 -1.14 0.00 0.00 176.83 177.06 1tka h THR 14 N 0.28 1.02 -0.43 -2.27 2.02 -0.66 -1.42 112.91 111.45 1tka h THR 14 Ca 0.17 -0.30 -0.11 0.00 0.77 0.00 0.00 66.41 66.94 1tka h THR 14 Cb 0.15 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1tka h THR 14 CO -0.17 0.16 -0.16 0.40 0.37 0.00 0.00 175.52 176.11 1tka h ILE 15 N 0.88 1.28 -0.25 3.11 2.04 -0.35 -1.82 117.51 122.40 1tka h ILE 15 Ca 0.37 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 1tka h ILE 15 Cb 0.28 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1tka h ILE 15 CO -0.14 0.44 0.06 0.03 0.00 0.00 0.00 178.15 178.54 1tka h ARG 16 N 0.69 0.40 0.02 2.37 3.08 -0.66 -2.31 114.38 117.98 1tka h ARG 16 Ca 0.10 -0.10 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 1tka h ARG 16 Cb 0.72 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 1tka h ARG 16 CO 0.05 0.50 -0.96 0.82 -1.07 0.00 0.00 179.97 179.32 1tka h ILE 17 N 0.22 1.56 -0.42 2.04 2.04 -1.26 -2.16 117.51 119.54 1tka h ILE 17 Ca 0.08 -2.92 -0.15 0.00 1.00 0.00 0.00 64.86 62.86 1tka h ILE 17 Cb 0.29 2.65 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 1tka h ILE 17 CO 0.00 0.84 -0.33 0.25 0.00 0.00 0.00 178.15 178.91 1tka h LEU 18 N 0.06 1.01 -1.35 1.44 5.85 -1.33 0.18 115.31 121.18 1tka h LEU 18 Ca -0.05 -0.44 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 1tka h LEU 18 Cb 1.64 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1tka h LEU 18 CO 0.14 1.24 -0.07 0.00 -0.34 0.00 0.00 178.44 179.42 1tka h ALA 19 N 0.81 1.47 0.03 1.25 0.00 -1.43 -2.81 119.26 118.57 1tka h ALA 19 Ca 0.08 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 1tka h ALA 19 Cb 0.92 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1tka h ALA 19 CO 0.09 0.38 -1.03 0.28 0.00 0.00 0.00 179.25 178.97 1tka h VAL 20 N 0.34 1.38 0.00 0.00 2.07 -0.69 -3.01 116.25 116.33 1tka h VAL 20 Ca 0.07 -2.48 -0.07 0.00 0.82 0.00 0.00 66.70 65.04 1tka h VAL 20 Cb 0.34 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1tka h VAL 20 CO 0.02 0.75 -0.32 0.44 0.02 0.00 0.00 177.57 178.47 1tka h ASP 21 N 0.24 0.00 -0.20 0.57 3.32 -0.54 -2.50 116.42 117.32 1tka h ASP 21 Ca -0.11 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.77 1tka h ASP 21 Cb 1.68 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.23 1tka h ASP 21 CO 0.18 0.32 -0.53 0.74 -1.72 0.00 0.00 179.24 178.24 1tka h THR 22 N 0.00 1.29 0.03 0.35 2.02 -1.61 -1.87 112.91 113.11 1tka h THR 22 Ca -0.00 -1.73 -0.26 0.00 0.77 0.00 0.00 66.41 65.19 1tka h THR 22 Cb 0.58 1.64 0.02 0.00 -1.74 0.00 0.00 68.15 68.64 1tka h THR 22 CO 0.04 0.56 -1.06 0.58 0.37 0.00 0.00 175.52 176.01 1tka h VAL 23 N 0.61 1.33 0.02 3.16 2.07 -1.37 -2.95 116.25 119.11 1tka h VAL 23 Ca 0.02 -2.38 -0.00 0.00 0.82 0.00 0.00 66.70 65.16 1tka h VAL 23 Cb 1.12 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 1tka h VAL 23 CO 0.11 0.72 -0.01 0.28 0.02 0.00 0.00 177.57 178.70 1tka h SER 24 N 0.31 -0.02 -0.66 0.57 0.02 -1.52 0.63 113.55 112.88 1tka h SER 24 Ca -0.12 -0.19 0.05 0.00 -0.84 0.00 0.00 61.79 60.68 1tka h SER 24 Cb 1.71 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 64.22 1tka h SER 24 CO 0.20 0.18 0.44 0.50 -1.14 0.00 0.00 176.83 177.00 1tka h LYS 25 N -0.22 0.71 0.00 3.45 1.63 -1.46 -0.54 116.57 120.14 1tka h LYS 25 Ca -0.00 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.71 1tka h LYS 25 Cb 0.21 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1tka h LYS 25 CO 0.00 0.47 -0.20 0.00 -3.45 0.00 0.00 179.45 176.27 1tka h ALA 26 N 1.63 0.93 -6.36 5.00 0.00 -1.28 -3.46 119.26 115.71 1tka h ALA 26 Ca 0.27 -0.18 -0.47 0.00 0.00 0.00 0.00 54.91 54.53 1tka h ALA 26 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1tka h ALA 26 CO -0.08 0.25 -0.87 -1.71 0.00 0.00 0.00 179.25 176.83 1tka n ASN 27 N -3.23 -0.84 -3.52 0.00 2.85 0.18 -4.93 115.26 105.78 1tka n ASN 27 Ca 0.02 -0.95 0.02 0.00 -0.11 0.00 0.00 54.58 53.56 1tka n ASN 27 Cb 0.51 -3.38 -0.05 0.00 1.24 0.00 0.00 39.78 38.10 1tka n ASN 27 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1tka s SER 28 N -4.32 -0.14 0.00 1.20 0.15 -1.11 -4.88 113.70 104.59 1tka s SER 28 Ca 0.03 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1tka s SER 28 Cb -0.01 1.09 0.00 0.00 -1.71 0.00 0.00 66.02 65.39 1tka s SER 28 CO 0.86 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.88 1tka n GLY 29 N 3.63 0.98 3.21 9.45 0.00 -1.26 -4.71 105.19 116.48 1tka n GLY 29 Ca -0.14 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 1tka n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tka s HIS 30 N -1.41 3.17 -0.13 1.61 0.09 -1.26 -2.58 115.29 114.79 1tka s HIS 30 Ca 0.00 -1.61 0.17 0.00 -0.00 0.00 0.00 55.06 53.62 1tka s HIS 30 Cb 0.00 -2.12 -0.22 0.00 -0.00 0.00 0.00 32.58 30.24 1tka s HIS 30 CO 0.00 -0.74 0.46 -0.35 -0.00 0.00 0.00 174.74 174.10 1tka n PRO 31 N 4.68 0.65 -0.20 8.40 -0.04 -1.20 -4.64 135.00 142.66 1tka n PRO 31 Ca -0.15 0.09 -0.09 0.00 -0.04 0.00 0.00 63.50 63.31 1tka n PRO 31 Cb 0.45 -1.66 0.02 0.00 -0.04 0.00 0.00 33.50 32.28 1tka n PRO 31 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1tka h GLY 32 N 3.83 1.00 1.32 0.55 0.00 -1.46 -2.32 103.07 105.98 1tka h GLY 32 Ca -0.31 -0.67 -0.27 0.00 0.00 0.00 0.00 47.33 46.07 1tka h GLY 32 CO 0.04 0.62 -1.11 0.00 0.00 0.00 0.00 176.54 176.09 1tka h ALA 33 N 0.99 0.13 -0.94 3.60 0.00 -1.84 -1.02 119.26 120.18 1tka h ALA 33 Ca 0.17 -0.74 0.13 0.00 0.00 0.00 0.00 54.91 54.47 1tka h ALA 33 Cb 0.43 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.14 1tka h ALA 33 CO 0.01 0.73 -0.45 -1.35 0.00 0.00 0.00 179.25 178.19 1tka h PRO 34 N 0.30 -0.03 -0.10 0.00 0.11 -1.81 -0.72 132.00 129.76 1tka h PRO 34 Ca -0.14 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.00 1tka h PRO 34 Cb 1.77 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.85 1tka h PRO 34 CO 0.21 -0.02 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.80 1tka h LEU 35 N -0.03 -0.34 -0.28 2.35 3.38 -1.43 -2.28 115.31 116.69 1tka h LEU 35 Ca 0.27 0.07 -0.20 0.00 0.09 0.00 0.00 57.88 58.11 1tka h LEU 35 Cb 0.54 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1tka h LEU 35 CO -0.94 -0.15 -0.88 1.23 0.09 0.00 0.00 178.44 177.80 1tka h GLY 36 N -0.14 0.19 1.27 0.83 0.00 -1.35 -3.29 103.07 100.57 1tka h GLY 36 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1tka h GLY 36 CO -0.18 0.30 -0.09 1.03 0.00 0.00 0.00 176.54 177.60 1tka n MET 37 N -3.64 0.47 -0.27 4.80 2.81 -0.29 -4.40 117.12 116.60 1tka n MET 37 Ca -0.03 -0.11 0.04 0.00 -1.81 0.00 0.00 57.70 55.79 1tka n MET 37 Cb 0.81 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 32.00 1tka n MET 37 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tka h ALA 38 N 3.43 1.12 -0.58 3.04 0.00 -1.48 -1.79 119.26 123.00 1tka h ALA 38 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1tka h ALA 38 Cb 0.36 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1tka h ALA 38 CO 0.00 -0.04 0.33 -1.35 0.00 0.00 0.00 179.25 178.19 1tka h PRO 39 N 0.63 0.63 -0.02 0.00 0.11 -1.84 -1.93 132.00 129.58 1tka h PRO 39 Ca 0.40 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.35 1tka h PRO 39 Cb 0.48 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 1tka h PRO 39 CO -0.31 0.41 -0.57 0.00 -0.21 0.00 0.00 178.00 177.33 1tka h ALA 40 N 1.28 1.01 -0.24 -0.75 0.00 -1.67 -1.42 119.26 117.47 1tka h ALA 40 Ca 0.24 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1tka h ALA 40 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1tka h ALA 40 CO -0.13 0.71 0.08 0.00 0.00 0.00 0.00 179.25 179.92 1tka h ALA 41 N 1.37 0.31 0.19 0.00 0.00 -1.21 0.24 119.26 120.16 1tka h ALA 41 Ca -0.00 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1tka h ALA 41 Cb 1.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1tka h ALA 41 CO 0.08 -0.08 -0.20 1.25 0.00 0.00 0.00 179.25 180.30 1tka h HIS 42 N 0.22 -0.52 0.62 0.00 6.17 -1.12 -1.60 115.15 118.91 1tka h HIS 42 Ca 0.08 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.13 1tka h HIS 42 Cb 0.21 0.21 0.01 0.00 2.52 0.00 0.00 27.41 30.36 1tka h HIS 42 CO -0.00 -0.30 -0.30 0.28 0.71 0.00 0.00 177.93 178.32 1tka h VAL 43 N -0.42 0.35 -0.16 5.26 2.07 -1.11 -2.40 116.25 119.84 1tka h VAL 43 Ca 0.00 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.43 1tka h VAL 43 Cb 0.40 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 1tka h VAL 43 CO -0.06 0.02 -0.24 0.25 0.02 0.00 0.00 177.57 177.56 1tka h LEU 44 N -0.93 -0.76 -1.73 2.57 5.85 -0.58 -2.85 115.31 116.88 1tka h LEU 44 Ca -0.09 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1tka h LEU 44 Cb 0.67 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1tka h LEU 44 CO 0.14 -0.29 0.10 -0.50 -0.34 0.00 0.00 178.44 177.55 1tka h TRP 45 N -0.29 0.27 0.00 1.25 4.06 -1.27 -0.48 115.95 119.48 1tka h TRP 45 Ca 0.11 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.06 1tka h TRP 45 Cb 0.46 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 1tka h TRP 45 CO -0.36 0.20 0.00 0.43 -3.56 0.00 0.00 178.44 175.15 1tka n SER 46 N -4.47 0.00 -0.03 -3.49 7.64 -0.91 -2.19 113.62 110.16 1tka n SER 46 Ca 0.00 0.36 0.04 0.00 1.01 0.00 0.00 58.87 60.28 1tka n SER 46 Cb 0.10 -0.44 0.06 0.00 -1.01 0.00 0.00 64.21 62.92 1tka n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tka n GLN 47 N -1.44 2.25 -3.02 1.43 -0.00 -0.21 -4.88 117.38 111.51 1tka n GLN 47 Ca 0.06 -1.93 -0.34 0.00 -0.00 0.00 0.00 57.00 54.79 1tka n GLN 47 Cb 0.21 -1.20 -0.06 0.00 -0.00 0.00 0.00 30.24 29.19 1tka n GLN 47 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1tka s MET 48 N -1.76 4.16 -0.27 2.61 -1.94 -0.93 -5.02 119.30 116.16 1tka s MET 48 Ca 0.13 0.88 -0.04 0.00 -1.71 0.00 0.00 55.69 54.95 1tka s MET 48 Cb 0.12 -2.49 0.01 0.00 2.01 0.00 0.00 34.83 34.48 1tka s MET 48 CO 0.01 0.17 0.01 0.50 -0.01 0.00 0.00 175.02 175.70 1tka s ARG 49 N -2.74 3.02 -0.09 2.03 3.00 -1.26 -5.01 118.95 117.89 1tka s ARG 49 Ca 0.53 -0.88 -0.27 0.00 -1.00 0.00 0.00 55.73 54.11 1tka s ARG 49 Cb -0.12 -3.17 0.06 0.00 0.00 0.00 0.00 34.95 31.72 1tka s ARG 49 CO 0.18 -0.39 0.63 0.00 0.00 0.00 0.00 175.30 175.71 1tka s MET 50 N 1.42 0.95 -0.34 5.12 0.23 -1.26 -0.26 119.30 125.16 1tka s MET 50 Ca 0.02 0.36 -0.05 0.00 -1.03 0.00 0.00 55.69 54.99 1tka s MET 50 Cb -0.17 0.45 0.06 0.00 -1.53 0.00 0.00 34.83 33.64 1tka s MET 50 CO -0.01 -0.26 0.10 1.21 -2.03 0.00 0.00 175.02 174.03 1tka s ASN 51 N -0.85 5.20 0.66 -1.18 3.04 -1.26 -4.29 114.94 116.25 1tka s ASN 51 Ca -0.09 -1.35 0.30 0.00 0.04 0.00 0.00 52.86 51.76 1tka s ASN 51 Cb -0.02 -1.82 1.64 0.00 -1.54 0.00 0.00 41.25 39.51 1tka s ASN 51 CO 0.07 -0.36 1.94 -0.65 -3.04 0.00 0.00 177.10 175.06 1tka h PRO 52 N 8.14 0.00 0.00 0.43 0.11 -1.88 0.17 132.00 138.97 1tka h PRO 52 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1tka h PRO 52 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1tka h PRO 52 CO 0.61 0.00 -0.30 2.41 -0.21 0.00 0.00 178.00 180.51 1tka n THR 53 N -3.00 0.36 -3.36 -1.15 -1.04 -1.26 -4.47 114.28 100.36 1tka n THR 53 Ca -0.01 -0.21 -0.24 0.00 -2.04 0.00 0.00 64.05 61.55 1tka n THR 53 Cb 0.40 -0.30 -0.09 0.00 -1.82 0.00 0.00 70.33 68.51 1tka n THR 53 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1tka s ASN 54 N -4.04 1.63 0.00 8.00 3.04 0.59 -4.97 114.94 119.20 1tka s ASN 54 Ca 0.09 -2.39 0.12 0.00 0.04 0.00 0.00 52.86 50.73 1tka s ASN 54 Cb 0.14 -0.04 0.58 0.00 -1.54 0.00 0.00 41.25 40.40 1tka s ASN 54 CO 0.65 -0.22 1.31 -2.65 -3.04 0.00 0.00 177.10 173.15 1tka n PRO 55 N 3.52 0.13 0.00 0.43 -0.02 -1.24 -2.52 135.00 135.30 1tka n PRO 55 Ca 0.20 0.20 0.07 0.00 -2.02 0.00 0.00 63.50 61.94 1tka n PRO 55 Cb 0.44 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.45 1tka n PRO 55 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1tka n ASP 56 N -1.33 1.80 -4.67 2.55 8.00 -1.26 -4.86 116.55 116.78 1tka n ASP 56 Ca 0.05 -1.40 -0.50 0.00 0.71 0.00 0.00 54.79 53.65 1tka n ASP 56 Cb 0.10 0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 41.36 1tka n ASP 56 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1tka n TRP 57 N 0.33 2.21 -0.14 1.24 -0.00 -1.05 -4.84 117.44 115.20 1tka n TRP 57 Ca 0.07 0.12 0.27 0.00 -0.00 0.00 0.00 57.50 57.95 1tka n TRP 57 Cb 0.31 -2.62 0.72 0.00 -0.00 0.00 0.00 31.31 29.72 1tka n TRP 57 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 177.69 178.66 1tka h ILE 58 N 5.60 0.56 -0.46 5.87 6.09 -1.93 -2.98 117.51 130.27 1tka h ILE 58 Ca -0.46 0.00 -0.13 0.00 -1.37 0.00 0.00 64.86 62.90 1tka h ILE 58 Cb 1.28 0.58 -0.08 0.00 0.47 0.00 0.00 36.82 39.08 1tka h ILE 58 CO 0.96 0.00 0.09 -3.20 -3.07 0.00 0.00 178.15 172.93 1tka n ASN 59 N -4.24 3.87 -4.76 2.19 5.15 -1.26 -4.93 115.26 111.27 1tka n ASN 59 Ca 0.17 -3.29 -0.40 0.00 -0.60 0.00 0.00 54.58 50.46 1tka n ASN 59 Cb 0.90 -0.64 -0.04 0.00 -0.53 0.00 0.00 39.78 39.46 1tka n ASN 59 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1tka s ARG 60 N -3.00 4.54 0.33 1.20 1.70 -1.13 -4.49 118.95 118.10 1tka s ARG 60 Ca 0.48 1.79 -0.29 0.00 -0.47 0.00 0.00 55.73 57.24 1tka s ARG 60 Cb 0.40 -3.08 -0.11 0.00 -0.57 0.00 0.00 34.95 31.58 1tka s ARG 60 CO 0.08 0.13 1.50 -0.51 -1.08 0.00 0.00 175.30 175.42 1tka s ASP 61 N -0.96 6.43 -0.11 -2.89 1.01 0.64 -4.69 116.67 116.10 1tka s ASP 61 Ca 0.47 2.94 0.01 0.00 0.71 0.00 0.00 52.55 56.68 1tka s ASP 61 Cb -0.31 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 40.95 1tka s ASP 61 CO 0.40 -0.83 -0.13 -0.13 0.21 0.00 0.00 175.17 174.69 1tka s ARG 62 N -1.40 3.16 -0.11 8.23 0.52 -0.17 -4.81 118.95 124.37 1tka s ARG 62 Ca 0.56 -0.68 0.03 0.00 -0.52 0.00 0.00 55.73 55.12 1tka s ARG 62 Cb -0.46 -2.58 -0.00 0.00 0.52 0.00 0.00 34.95 32.43 1tka s ARG 62 CO 0.55 0.33 -0.21 0.12 0.02 0.00 0.00 175.30 176.11 1tka s PHE 63 N 0.05 2.63 -0.09 -0.53 5.36 -1.26 -0.37 117.98 123.77 1tka s PHE 63 Ca -0.05 -1.03 0.02 0.00 -0.96 0.00 0.00 56.93 54.91 1tka s PHE 63 Cb -0.14 -1.76 -0.02 0.00 -0.34 0.00 0.00 43.02 40.76 1tka s PHE 63 CO 0.04 -0.42 -0.14 0.08 -1.46 0.00 0.00 175.22 173.32 1tka s VAL 64 N 0.45 3.00 -0.93 3.12 1.01 0.11 -4.58 120.40 122.57 1tka s VAL 64 Ca -0.15 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 1tka s VAL 64 Cb -0.17 -2.21 0.24 0.00 0.00 0.00 0.00 36.38 34.23 1tka s VAL 64 CO 0.06 0.56 0.87 -0.22 0.00 0.00 0.00 175.10 176.37 1tka s LEU 65 N -0.14 6.24 0.49 3.92 2.96 -1.26 -0.61 118.68 130.27 1tka s LEU 65 Ca -0.01 -3.24 0.16 0.00 -0.22 0.00 0.00 54.13 50.81 1tka s LEU 65 Cb -0.14 -2.12 1.17 0.00 0.50 0.00 0.00 46.19 45.60 1tka s LEU 65 CO 0.03 -0.37 2.08 -1.28 -1.32 0.00 0.00 176.35 175.50 1tka h SER 66 N 6.96 0.00 -1.91 3.68 0.87 -1.13 -2.55 113.55 119.47 1tka h SER 66 Ca 0.13 0.00 -0.78 0.00 -1.23 0.00 0.00 61.79 59.91 1tka h SER 66 Cb 0.93 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.67 1tka h SER 66 CO 0.87 0.08 1.52 -0.46 -0.53 0.00 0.00 176.83 178.30 1tka n ASN 67 N -4.43 7.37 0.07 6.23 2.04 -1.25 -4.28 115.26 121.01 1tka n ASN 67 Ca -0.03 -3.45 0.03 0.00 -0.44 0.00 0.00 54.58 50.69 1tka n ASN 67 Cb 0.16 -1.26 0.16 0.00 -2.53 0.00 0.00 39.78 36.31 1tka n ASN 67 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1tka n GLY 68 N 0.82 -0.46 0.28 4.83 0.00 -0.96 -1.34 105.19 108.36 1tka n GLY 68 Ca 0.49 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.67 1tka n GLY 68 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1tka h HIS 69 N 0.00 0.00 0.00 1.61 2.07 -1.86 -1.55 115.15 115.41 1tka h HIS 69 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1tka h HIS 69 Cb 0.43 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.41 1tka h HIS 69 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1tka n ALA 70 N -2.54 2.29 -0.58 6.11 0.00 -0.45 -4.52 120.51 120.82 1tka n ALA 70 Ca -0.01 -0.05 0.44 0.00 0.00 0.00 0.00 53.44 53.82 1tka n ALA 70 Cb 0.17 -1.12 0.67 0.00 0.00 0.00 0.00 19.45 19.18 1tka n ALA 70 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1tka n VAL 71 N -0.65 -0.01 -0.11 0.00 3.14 -0.58 -1.30 118.33 118.83 1tka n VAL 71 Ca 0.05 1.23 0.01 0.00 -2.96 0.00 0.00 64.34 62.67 1tka n VAL 71 Cb 0.02 -2.05 0.30 0.00 -1.06 0.00 0.00 33.84 31.06 1tka n VAL 71 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1tka h ALA 72 N 0.83 1.48 -0.41 1.55 0.00 -1.88 0.24 119.26 121.07 1tka h ALA 72 Ca 0.77 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.48 1tka h ALA 72 Cb 3.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 20.63 1tka h ALA 72 CO -0.02 0.43 -0.19 1.25 0.00 0.00 0.00 179.25 180.72 1tka h LEU 73 N 0.77 0.80 0.01 0.00 6.46 -1.55 -1.97 115.31 119.84 1tka h LEU 73 Ca 0.20 -0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1tka h LEU 73 Cb 0.03 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.74 1tka h LEU 73 CO -0.03 0.98 -0.01 0.25 -0.62 0.00 0.00 178.44 179.02 1tka h LEU 74 N 0.70 -0.01 -1.29 2.25 5.85 -1.14 -1.32 115.31 120.34 1tka h LEU 74 Ca 0.10 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1tka h LEU 74 Cb 0.70 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1tka h LEU 74 CO 0.05 0.31 0.48 1.88 -0.34 0.00 0.00 178.44 180.83 1tka h TYR 75 N -0.34 0.90 -0.42 1.25 0.05 -1.16 0.30 116.97 117.55 1tka h TYR 75 Ca -0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1tka h TYR 75 Cb 0.33 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 1tka h TYR 75 CO 0.04 0.57 0.27 0.77 -1.05 0.00 0.00 178.16 178.75 1tka h SER 76 N 0.97 0.49 -0.19 3.88 0.02 -0.91 -1.71 113.55 116.09 1tka h SER 76 Ca 0.27 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1tka h SER 76 Cb -0.10 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1tka h SER 76 CO -0.06 0.37 -0.01 0.24 -1.14 0.00 0.00 176.83 176.23 1tka h MET 77 N 0.56 0.35 -0.14 3.45 2.86 -0.61 -0.52 114.93 120.88 1tka h MET 77 Ca 0.15 -0.12 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1tka h MET 77 Cb -0.04 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.53 1tka h MET 77 CO -0.03 0.57 -0.25 -0.07 1.06 0.00 0.00 176.91 178.19 1tka h LEU 78 N 0.10 -0.78 0.45 1.22 3.38 -0.93 0.15 115.31 118.91 1tka h LEU 78 Ca 0.05 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1tka h LEU 78 Cb 0.42 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1tka h LEU 78 CO 0.01 -0.30 -0.45 -0.74 0.09 0.00 0.00 178.44 177.06 1tka h HIS 79 N -0.31 -1.24 -0.79 1.13 2.76 -1.23 -0.57 115.15 114.90 1tka h HIS 79 Ca 0.10 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1tka h HIS 79 Cb 0.47 0.48 -0.04 0.00 1.55 0.00 0.00 27.41 29.87 1tka h HIS 79 CO -0.35 -0.60 0.52 -0.07 -1.30 0.00 0.00 177.93 176.13 1tka h LEU 80 N -0.89 0.89 -1.32 0.26 3.38 -0.68 -2.46 115.31 114.48 1tka h LEU 80 Ca -0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1tka h LEU 80 Cb 0.77 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1tka h LEU 80 CO -0.05 0.64 0.00 0.35 0.09 0.00 0.00 178.44 179.46 1tka n THR 81 N -4.42 0.49 0.00 0.22 -2.24 0.51 -4.83 114.28 104.00 1tka n THR 81 Ca 0.09 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1tka n THR 81 Cb 0.04 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1tka n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tka n GLY 82 N 1.05 1.15 3.89 3.38 0.00 -0.92 -4.58 105.19 109.15 1tka n GLY 82 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1tka n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tka s TYR 83 N -2.00 3.37 -1.20 1.61 2.02 -0.24 -4.60 117.35 116.31 1tka s TYR 83 Ca 0.00 1.01 -0.22 0.00 -0.37 0.00 0.00 57.07 57.50 1tka s TYR 83 Cb 0.00 -2.94 -0.04 0.00 -0.40 0.00 0.00 41.96 38.58 1tka s TYR 83 CO 0.00 -1.02 1.88 0.34 -1.57 0.00 0.00 175.55 175.18 1tka s ASP 84 N -4.31 5.52 -0.21 2.29 2.15 -1.26 -4.63 116.67 116.20 1tka s ASP 84 Ca 0.57 -1.83 -0.10 0.00 0.43 0.00 0.00 52.55 51.61 1tka s ASP 84 Cb -0.11 -2.59 0.08 0.00 -0.30 0.00 0.00 42.92 40.00 1tka s ASP 84 CO 0.51 -2.56 0.50 -0.22 -0.17 0.00 0.00 175.17 173.23 1tka s LEU 85 N 9.17 -0.52 0.44 -1.34 2.96 -1.26 -4.95 118.68 123.18 1tka s LEU 85 Ca 0.64 1.13 0.07 0.00 -0.22 0.00 0.00 54.13 55.76 1tka s LEU 85 Cb 0.00 1.69 -0.02 0.00 0.50 0.00 0.00 46.19 48.37 1tka s LEU 85 CO 0.11 -0.22 0.32 -0.94 -1.32 0.00 0.00 176.35 174.30 1tka s SER 86 N 1.85 4.75 0.42 3.68 1.04 -1.26 -4.50 113.70 119.69 1tka s SER 86 Ca -0.08 -0.97 0.14 0.00 0.48 0.00 0.00 55.95 55.53 1tka s SER 86 Cb -0.09 -0.33 1.01 0.00 0.10 0.00 0.00 66.02 66.72 1tka s SER 86 CO -0.15 -0.71 1.93 0.40 0.98 0.00 0.00 173.24 175.69 1tka h ILE 87 N 1.10 0.83 -0.20 -1.02 1.08 -1.99 0.06 117.51 117.37 1tka h ILE 87 Ca -0.41 -0.16 -0.16 0.00 -0.39 0.00 0.00 64.86 63.75 1tka h ILE 87 Cb 1.27 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 1tka h ILE 87 CO 0.62 0.08 -0.53 -0.08 -0.69 0.00 0.00 178.15 177.55 1tka h GLU 88 N 0.45 0.58 -0.42 2.37 4.57 -1.96 0.34 114.58 120.51 1tka h GLU 88 Ca 0.35 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1tka h GLU 88 Cb 0.74 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 1tka h GLU 88 CO -0.11 0.96 0.13 -0.44 -1.18 0.00 0.00 179.01 178.36 1tka h ASP 89 N 0.45 0.61 -0.90 1.04 3.32 -1.60 -1.92 116.42 117.42 1tka h ASP 89 Ca 0.01 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1tka h ASP 89 Cb 1.07 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.41 1tka h ASP 89 CO 0.10 0.66 0.54 -0.07 -1.72 0.00 0.00 179.24 178.75 1tka h LEU 90 N 0.53 1.09 0.00 1.55 3.38 -0.59 -1.63 115.31 119.65 1tka h LEU 90 Ca 0.13 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1tka h LEU 90 Cb 0.27 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1tka h LEU 90 CO -0.00 0.85 0.00 0.29 0.09 0.00 0.00 178.44 179.66 1tka n LYS 91 N -4.35 0.43 -1.00 1.13 5.02 0.11 -2.60 118.16 116.90 1tka n LYS 91 Ca 0.10 0.05 0.03 0.00 -2.02 0.00 0.00 58.31 56.46 1tka n LYS 91 Cb 0.07 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 33.72 1tka n LYS 91 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1tka n GLN 92 N -1.10 1.39 -1.48 1.97 6.02 -0.62 -4.96 117.38 118.60 1tka n GLN 92 Ca 0.11 -3.08 -0.40 0.00 -0.01 0.00 0.00 57.00 53.62 1tka n GLN 92 Cb 0.08 -1.29 0.02 0.00 1.02 0.00 0.00 30.24 30.07 1tka n GLN 92 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1tka n PHE 93 N -0.68 -0.30 -0.65 1.08 7.35 -1.07 -2.71 117.46 120.47 1tka n PHE 93 Ca 0.18 0.54 -0.02 0.00 -0.76 0.00 0.00 57.45 57.38 1tka n PHE 93 Cb 0.83 -2.01 -0.01 0.00 0.35 0.00 0.00 39.48 38.63 1tka n PHE 93 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1tka n ARG 94 N 0.29 -1.85 -3.94 -4.13 1.74 0.19 -4.80 116.66 104.16 1tka n ARG 94 Ca 0.11 0.32 -0.32 0.00 -0.77 0.00 0.00 57.85 57.19 1tka n ARG 94 Cb 0.42 -3.94 -0.05 0.00 -1.02 0.00 0.00 32.46 27.87 1tka n ARG 94 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1tka s GLN 95 N -1.36 3.35 0.03 5.56 -1.52 -1.10 -4.90 119.66 119.72 1tka s GLN 95 Ca 0.00 -0.44 -0.31 0.00 -1.95 0.00 0.00 55.36 52.66 1tka s GLN 95 Cb 0.00 -3.01 -0.10 0.00 -0.22 0.00 0.00 33.01 29.68 1tka s GLN 95 CO 0.00 0.63 1.94 -0.11 -0.25 0.00 0.00 175.29 177.49 1tka n LEU 96 N 0.56 4.02 0.00 2.90 7.94 -1.26 -1.64 117.00 129.52 1tka n LEU 96 Ca -0.08 0.93 0.00 0.00 -1.11 0.00 0.00 56.01 55.75 1tka n LEU 96 Cb 0.52 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 42.96 1tka n LEU 96 CO 0.48 0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.52 1tka n GLY 97 N 4.47 0.93 3.81 -3.96 0.00 -1.26 -5.08 105.19 104.10 1tka n GLY 97 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1tka n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tka s SER 98 N -2.92 2.75 0.00 1.61 1.04 -0.65 -4.92 113.70 110.61 1tka s SER 98 Ca 0.00 0.58 0.27 0.00 0.48 0.00 0.00 55.95 57.28 1tka s SER 98 Cb 0.00 -0.84 0.97 0.00 0.10 0.00 0.00 66.02 66.25 1tka s SER 98 CO 0.00 -2.98 1.70 0.54 0.98 0.00 0.00 173.24 173.47 1tka n ARG 99 N -3.99 1.71 -3.23 4.02 1.74 -1.26 -4.54 116.66 111.10 1tka n ARG 99 Ca 0.12 -1.03 -0.31 0.00 -0.77 0.00 0.00 57.85 55.85 1tka n ARG 99 Cb 0.60 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.52 1tka n ARG 99 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1tka n THR 100 N 0.25 3.33 -0.68 0.55 -2.24 -1.26 -5.03 114.28 109.20 1tka n THR 100 Ca 0.18 -5.47 -0.32 0.00 -2.27 0.00 0.00 64.05 56.17 1tka n THR 100 Cb 0.36 -1.99 0.17 0.00 -2.10 0.00 0.00 70.33 66.78 1tka n THR 100 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1tka n PRO 101 N 0.78 -1.33 -0.01 -0.78 -0.04 -1.26 0.54 135.00 132.90 1tka n PRO 101 Ca 0.30 -0.36 0.11 0.00 -0.04 0.00 0.00 63.50 63.51 1tka n PRO 101 Cb 0.38 -1.81 0.61 0.00 -0.04 0.00 0.00 33.50 32.64 1tka n PRO 101 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tka n GLY 102 N 1.72 -0.78 3.52 0.55 0.00 -1.26 -4.37 105.19 104.57 1tka n GLY 102 Ca 0.03 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1tka n GLY 102 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tka s HIS 103 N -1.97 -0.68 0.30 1.61 3.76 -1.26 -4.81 115.29 112.24 1tka s HIS 103 Ca 0.33 1.63 -0.30 0.00 -0.15 0.00 0.00 55.06 56.57 1tka s HIS 103 Cb 0.16 0.24 -0.12 0.00 1.11 0.00 0.00 32.58 33.96 1tka s HIS 103 CO 0.26 -0.34 1.47 -0.35 -0.85 0.00 0.00 174.74 174.93 1tka n PRO 104 N 2.66 2.40 -5.15 8.40 -0.04 -1.25 -4.92 135.00 137.09 1tka n PRO 104 Ca -0.14 0.85 -0.31 0.00 -0.04 0.00 0.00 63.50 63.87 1tka n PRO 104 Cb 0.56 -2.56 -0.17 0.00 -0.04 0.00 0.00 33.50 31.30 1tka n PRO 104 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1tka s GLU 105 N -0.91 2.58 0.37 0.54 2.02 -1.26 -2.17 118.70 119.87 1tka s GLU 105 Ca 0.62 -0.83 0.21 0.00 0.02 0.00 0.00 54.97 55.00 1tka s GLU 105 Cb -0.55 -2.09 1.33 0.00 0.10 0.00 0.00 34.13 32.92 1tka s GLU 105 CO 0.53 0.27 1.59 0.35 0.02 0.00 0.00 175.26 178.02 1tka h PHE 106 N 6.39 0.81 0.00 1.61 3.57 -1.80 -2.58 116.94 124.93 1tka h PHE 106 Ca -0.27 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1tka h PHE 106 Cb 1.20 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.75 1tka h PHE 106 CO 0.45 -0.41 0.00 0.39 -2.23 0.00 0.00 178.31 176.51 1tka n GLU 107 N -5.17 0.04 -3.57 1.11 4.71 -1.26 -4.52 120.64 111.98 1tka n GLU 107 Ca 0.37 0.47 -0.38 0.00 -0.01 0.00 0.00 57.16 57.61 1tka n GLU 107 Cb 1.27 -1.61 -0.06 0.00 -1.01 0.00 0.00 31.44 30.03 1tka n GLU 107 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1tka s LEU 108 N -3.38 4.46 -0.48 -4.62 2.96 -0.97 -5.03 118.68 111.61 1tka s LEU 108 Ca 0.01 0.88 -0.36 0.00 -0.22 0.00 0.00 54.13 54.44 1tka s LEU 108 Cb 0.04 -2.50 -0.14 0.00 0.50 0.00 0.00 46.19 44.08 1tka s LEU 108 CO 0.12 0.34 2.27 -2.65 -1.32 0.00 0.00 176.35 175.11 1tka n PRO 109 N 1.84 0.67 0.00 0.98 -0.02 -1.26 -1.73 135.00 135.47 1tka n PRO 109 Ca -0.15 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1tka n PRO 109 Cb 0.53 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1tka n PRO 109 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tka n GLY 110 N 6.73 1.61 3.58 -1.23 0.00 -1.26 -4.80 105.19 109.81 1tka n GLY 110 Ca 0.48 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.12 1tka n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tka s VAL 111 N -2.15 5.24 0.04 1.61 1.01 -0.71 -4.97 120.40 120.47 1tka s VAL 111 Ca 0.00 0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 1tka s VAL 111 Cb 0.00 -3.49 -0.31 0.00 0.00 0.00 0.00 36.38 32.58 1tka s VAL 111 CO 0.00 0.26 1.06 -0.33 0.00 0.00 0.00 175.10 176.09 1tka h GLU 112 N 8.34 0.58 -3.95 2.72 4.39 -1.81 -3.41 114.58 121.45 1tka h GLU 112 Ca -0.35 -0.84 -0.16 0.00 0.34 0.00 0.00 59.36 58.35 1tka h GLU 112 Cb 1.19 0.29 -0.10 0.00 -0.10 0.00 0.00 28.75 30.03 1tka h GLU 112 CO 0.55 1.39 -0.22 0.14 -1.16 0.00 0.00 179.01 179.71 1tka s VAL 113 N -2.85 0.00 -0.19 3.13 -7.23 -1.26 -4.85 120.40 107.15 1tka s VAL 113 Ca -0.10 -1.56 -0.14 0.00 -1.81 0.00 0.00 61.98 58.37 1tka s VAL 113 Cb 0.05 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 1tka s VAL 113 CO 0.93 0.00 0.31 -0.89 -0.31 0.00 0.00 175.10 175.14 1tka s THR 114 N -3.69 5.27 0.13 5.32 2.01 -1.26 -2.89 115.64 120.53 1tka s THR 114 Ca 0.28 0.55 0.01 0.00 0.31 0.00 0.00 61.69 62.84 1tka s THR 114 Cb 0.01 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1tka s THR 114 CO 0.13 0.33 -0.02 0.42 -0.69 0.00 0.00 174.62 174.79 1tka s THR 115 N 0.88 0.58 0.00 -0.82 -4.23 -0.92 -4.87 115.64 106.26 1tka s THR 115 Ca 0.16 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1tka s THR 115 Cb -0.14 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.79 1tka s THR 115 CO 0.05 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 1tka n GLY 116 N -0.13 4.31 3.76 3.99 0.00 -1.26 -3.93 105.19 111.92 1tka n GLY 116 Ca -0.09 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 1tka n GLY 116 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1tka s PRO 117 N 0.00 4.15 0.43 1.61 0.02 -1.26 -4.78 135.00 135.17 1tka s PRO 117 Ca 0.00 2.51 -0.18 0.00 0.02 0.00 0.00 61.00 63.35 1tka s PRO 117 Cb 0.00 -3.03 -0.10 0.00 0.02 0.00 0.00 34.50 31.40 1tka s PRO 117 CO 0.00 -0.55 0.91 -0.51 -0.33 0.00 0.00 177.00 176.51 1tka s LEU 118 N -0.91 3.88 0.00 -5.54 1.43 -1.26 -3.47 118.68 112.81 1tka s LEU 118 Ca 0.59 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.24 1tka s LEU 118 Cb -0.46 -4.41 0.00 0.00 0.03 0.00 0.00 46.19 41.35 1tka s LEU 118 CO 0.51 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 177.31 1tka n GLY 119 N -0.86 2.84 0.18 -3.19 0.00 -1.26 -4.82 105.19 98.09 1tka n GLY 119 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 1tka n GLY 119 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1tka h GLN 120 N 1.55 0.41 -0.09 1.61 1.08 -1.85 -3.21 115.11 114.62 1tka h GLN 120 Ca 0.00 -0.30 -0.03 0.00 -1.45 0.00 0.00 58.65 56.87 1tka h GLN 120 Cb 0.00 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1tka h GLN 120 CO 0.00 0.93 -0.06 0.78 -0.95 0.00 0.00 178.83 179.52 1tka h GLY 121 N 1.26 0.21 0.79 3.46 0.00 -1.77 -1.96 103.07 105.06 1tka h GLY 121 Ca -0.02 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.14 1tka h GLY 121 CO 0.11 0.19 0.16 1.19 0.00 0.00 0.00 176.54 178.19 1tka h ILE 122 N -0.21 0.96 -0.38 2.60 6.09 -1.88 -0.85 117.51 123.86 1tka h ILE 122 Ca 0.02 -0.12 -0.05 0.00 -1.37 0.00 0.00 64.86 63.34 1tka h ILE 122 Cb 0.55 0.59 -0.02 0.00 0.47 0.00 0.00 36.82 38.42 1tka h ILE 122 CO 0.02 0.06 0.02 0.28 -3.07 0.00 0.00 178.15 175.46 1tka h SER 123 N 0.34 0.55 -0.47 2.19 0.02 -1.60 -1.32 113.55 113.25 1tka h SER 123 Ca 0.15 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 1tka h SER 123 Cb 0.08 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1tka h SER 123 CO -0.12 0.60 0.07 0.78 -1.14 0.00 0.00 176.83 177.02 1tka h ASN 124 N 0.56 0.76 0.51 3.07 -0.26 -0.96 -2.90 115.58 116.36 1tka h ASN 124 Ca 0.12 -0.27 -0.07 0.00 -0.56 0.00 0.00 56.30 55.53 1tka h ASN 124 Cb 0.33 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 1tka h ASN 124 CO 0.01 0.83 -0.31 0.00 -1.06 0.00 0.00 177.43 176.89 1tka h ALA 125 N 0.95 1.24 -0.50 -0.83 0.00 -0.64 -1.58 119.26 117.90 1tka h ALA 125 Ca 0.14 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1tka h ALA 125 Cb 0.40 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1tka h ALA 125 CO 0.01 0.39 -0.12 0.28 0.00 0.00 0.00 179.25 179.82 1tka h VAL 126 N 0.00 1.27 -0.32 0.00 2.07 -1.08 -1.79 116.25 116.40 1tka h VAL 126 Ca -0.00 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 1tka h VAL 126 Cb 0.65 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1tka h VAL 126 CO 0.04 0.44 0.18 1.23 0.02 0.00 0.00 177.57 179.47 1tka h GLY 127 N 0.95 0.48 0.69 2.17 0.00 -1.13 -1.46 103.07 104.78 1tka h GLY 127 Ca 0.13 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.26 1tka h GLY 127 CO 0.05 0.21 -0.18 -0.33 0.00 0.00 0.00 176.54 176.29 1tka h MET 128 N 0.40 -0.33 -0.74 4.80 2.86 -1.27 0.83 114.93 121.48 1tka h MET 128 Ca 0.11 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.92 1tka h MET 128 Cb 0.06 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.75 1tka h MET 128 CO -0.02 -0.22 0.50 0.00 1.06 0.00 0.00 176.91 178.23 1tka h ALA 129 N 0.50 2.09 0.08 6.32 0.00 -0.78 -1.01 119.26 126.46 1tka h ALA 129 Ca 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1tka h ALA 129 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1tka h ALA 129 CO -0.10 -0.28 -0.04 0.52 0.00 0.00 0.00 179.25 179.35 1tka h MET 130 N 0.43 -0.11 -0.87 0.00 2.86 -0.64 -2.57 114.93 114.02 1tka h MET 130 Ca 0.36 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 58.13 1tka h MET 130 Cb 0.80 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.42 1tka h MET 130 CO -0.12 0.36 0.56 0.00 1.06 0.00 0.00 176.91 178.77 1tka h ALA 131 N 0.20 1.76 -0.06 6.32 0.00 -0.42 -1.96 119.26 125.10 1tka h ALA 131 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1tka h ALA 131 Cb 0.52 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1tka h ALA 131 CO 0.02 0.03 0.02 0.37 0.00 0.00 0.00 179.25 179.68 1tka h GLN 132 N 0.75 0.10 -0.82 0.00 -0.00 -1.18 -1.58 115.11 112.38 1tka h GLN 132 Ca 0.42 -0.02 0.08 0.00 -0.00 0.00 0.00 58.65 59.13 1tka h GLN 132 Cb 0.58 -0.01 -0.05 0.00 0.00 0.00 0.00 27.48 27.99 1tka h GLN 132 CO -0.19 0.29 0.53 0.00 0.00 0.00 0.00 178.83 179.47 1tka h ALA 133 N 0.80 1.66 -0.14 3.38 0.00 -1.11 -0.46 119.26 123.39 1tka h ALA 133 Ca 0.02 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1tka h ALA 133 Cb 0.24 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1tka h ALA 133 CO 0.00 0.20 -0.66 -0.97 0.00 0.00 0.00 179.25 177.82 1tka h ASN 134 N 0.84 0.82 -0.40 0.00 -0.73 -1.26 -2.66 115.58 112.18 1tka h ASN 134 Ca 0.36 -0.63 -0.01 0.00 1.87 0.00 0.00 56.30 57.89 1tka h ASN 134 Cb 0.32 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.65 1tka h ASN 134 CO -0.14 1.32 0.21 0.25 -0.37 0.00 0.00 177.43 178.70 1tka h LEU 135 N 0.37 0.52 0.12 0.34 5.85 -0.10 -1.46 115.31 120.94 1tka h LEU 135 Ca -0.04 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.59 1tka h LEU 135 Cb 1.29 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1tka h LEU 135 CO 0.14 0.48 -0.39 0.00 -0.34 0.00 0.00 178.44 178.32 1tka h ALA 136 N 1.06 -0.69 0.00 1.25 0.00 -1.24 -0.64 119.26 119.01 1tka h ALA 136 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1tka h ALA 136 Cb 0.09 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1tka h ALA 136 CO -0.02 -0.95 0.00 0.00 0.00 0.00 0.00 179.25 178.28 1tka h ALA 137 N -0.10 1.00 0.00 0.00 0.00 -1.18 -0.41 119.26 118.58 1tka h ALA 137 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 1tka h ALA 137 Cb 0.65 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1tka h ALA 137 CO -0.23 0.00 -1.82 2.41 0.00 0.00 0.00 179.25 179.61 1tka n THR 138 N -3.04 1.52 0.00 0.00 -1.04 -0.58 -4.75 114.28 106.39 1tka n THR 138 Ca -0.02 -0.80 0.00 0.00 -2.04 0.00 0.00 64.05 61.19 1tka n THR 138 Cb 0.14 -0.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 1tka n THR 138 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1tka n TYR 139 N -2.97 0.00 -1.92 -1.42 4.01 -0.30 -4.98 117.16 109.58 1tka n TYR 139 Ca -0.19 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.13 1tka n TYR 139 Cb 1.05 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 40.05 1tka n TYR 139 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1tka s ASN 140 N -2.75 6.60 0.20 7.72 0.01 -0.19 -4.90 114.94 121.64 1tka s ASN 140 Ca 0.00 2.46 0.09 0.00 -0.71 0.00 0.00 52.86 54.70 1tka s ASN 140 Cb 0.00 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 1tka s ASN 140 CO 0.00 -0.90 -0.06 -0.54 -1.51 0.00 0.00 177.10 174.08 1tka s LYS 141 N 2.97 2.15 0.09 -0.60 3.01 -0.95 -4.90 119.74 121.50 1tka s LYS 141 Ca 0.75 -1.30 -0.34 0.00 -1.01 0.00 0.00 55.97 54.07 1tka s LYS 141 Cb -0.39 -2.17 -0.13 0.00 -1.01 0.00 0.00 37.83 34.13 1tka s LYS 141 CO 0.32 0.42 1.70 -0.35 0.51 0.00 0.00 175.35 177.95 1tka n PRO 142 N -0.22 2.27 0.00 -1.68 -0.04 -1.26 -0.97 135.00 133.10 1tka n PRO 142 Ca -0.09 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 1tka n PRO 142 Cb 0.56 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 1tka n PRO 142 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tka n GLY 143 N 3.81 2.56 2.88 0.55 0.00 -1.26 -4.98 105.19 108.76 1tka n GLY 143 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1tka n GLY 143 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tka s PHE 144 N -2.64 3.41 -1.15 1.61 0.08 -0.15 -4.99 117.98 114.14 1tka s PHE 144 Ca 0.00 -3.27 -0.17 0.00 0.12 0.00 0.00 56.93 53.60 1tka s PHE 144 Cb 0.00 -2.64 0.11 0.00 -0.57 0.00 0.00 43.02 39.92 1tka s PHE 144 CO 0.00 -0.58 1.47 0.99 -0.10 0.00 0.00 175.22 177.00 1tka s THR 145 N -1.23 4.52 0.08 0.64 2.01 -1.26 -2.25 115.64 118.15 1tka s THR 145 Ca 0.24 -1.91 0.17 0.00 0.31 0.00 0.00 61.69 60.49 1tka s THR 145 Cb -0.07 -5.00 0.08 0.00 0.01 0.00 0.00 72.50 67.52 1tka s THR 145 CO -0.14 -1.78 1.62 -0.07 -0.69 0.00 0.00 174.62 173.56 1tka h LEU 146 N 11.21 0.00 -8.06 4.42 3.38 -1.91 -3.45 115.31 120.90 1tka h LEU 146 Ca 0.31 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.70 1tka h LEU 146 Cb 0.92 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.33 1tka h LEU 146 CO 1.31 0.47 -0.84 -0.55 0.09 0.00 0.00 178.44 178.92 1tka s SER 147 N -6.48 2.35 0.00 -0.43 0.15 -1.26 -4.73 113.70 103.30 1tka s SER 147 Ca 0.01 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1tka s SER 147 Cb 0.10 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 1tka s SER 147 CO 0.71 0.05 0.00 -0.90 1.20 0.00 0.00 173.24 174.30 1tka n ASP 148 N 3.94 0.00 -4.69 5.45 5.68 -1.26 -4.74 116.55 120.93 1tka n ASP 148 Ca -0.20 -0.59 -0.32 0.00 -0.50 0.00 0.00 54.79 53.18 1tka n ASP 148 Cb 0.52 0.00 0.15 0.00 -1.14 0.00 0.00 41.12 40.64 1tka n ASP 148 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1tka s ASN 149 N 0.00 3.27 0.38 -1.12 4.22 -1.26 -5.04 114.94 115.38 1tka s ASN 149 Ca 0.00 2.23 0.05 0.00 -2.14 0.00 0.00 52.86 53.00 1tka s ASN 149 Cb 0.00 -2.57 -0.00 0.00 1.28 0.00 0.00 41.25 39.95 1tka s ASN 149 CO 0.00 -2.88 0.54 -0.31 -2.04 0.00 0.00 177.10 172.42 1tka s TYR 150 N -2.48 3.11 -0.12 1.54 1.51 -1.26 -4.95 117.35 114.69 1tka s TYR 150 Ca 0.69 -0.10 0.01 0.00 -1.01 0.00 0.00 57.07 56.65 1tka s TYR 150 Cb -0.24 -2.13 0.02 0.00 -0.11 0.00 0.00 41.96 39.49 1tka s TYR 150 CO 0.55 -0.16 -0.14 0.99 -1.11 0.00 0.00 175.55 175.68 1tka s THR 151 N -2.31 1.45 -0.12 -0.71 2.01 -0.54 -1.00 115.64 114.41 1tka s THR 151 Ca 0.47 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.88 1tka s THR 151 Cb -0.10 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 1tka s THR 151 CO 0.33 0.44 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.28 1tka s TYR 152 N 1.25 2.85 -0.02 4.92 2.02 0.50 -1.06 117.35 127.81 1tka s TYR 152 Ca -0.01 -0.48 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 1tka s TYR 152 Cb -0.14 -1.84 -0.00 0.00 -0.40 0.00 0.00 41.96 39.58 1tka s TYR 152 CO -0.06 -0.10 -0.12 0.08 -1.57 0.00 0.00 175.55 173.78 1tka s VAL 153 N 0.18 1.00 -0.15 0.71 1.01 -0.34 -0.71 120.40 122.10 1tka s VAL 153 Ca -0.06 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 1tka s VAL 153 Cb -0.15 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1tka s VAL 153 CO 0.04 0.29 -0.03 -0.36 0.00 0.00 0.00 175.10 175.05 1tka s PHE 154 N -0.03 3.04 0.19 5.22 0.40 0.22 -0.76 117.98 126.26 1tka s PHE 154 Ca -0.00 -0.26 -0.04 0.00 -0.60 0.00 0.00 56.93 56.03 1tka s PHE 154 Cb -0.08 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 1tka s PHE 154 CO 0.00 -0.01 0.20 -0.48 0.70 0.00 0.00 175.22 175.63 1tka s LEU 155 N 0.31 1.08 0.00 -0.37 2.34 -0.42 -0.53 118.68 121.08 1tka s LEU 155 Ca -0.03 -1.22 0.02 0.00 0.06 0.00 0.00 54.13 52.96 1tka s LEU 155 Cb -0.14 0.70 -0.01 0.00 -0.56 0.00 0.00 46.19 46.19 1tka s LEU 155 CO 0.03 -0.88 0.09 0.61 -1.06 0.00 0.00 176.35 175.13 1tka n GLY 156 N -0.26 3.43 0.19 -3.48 0.00 -1.26 -0.69 105.19 103.12 1tka n GLY 156 Ca -0.01 -2.19 -0.03 0.00 0.00 0.00 0.00 46.02 43.79 1tka n GLY 156 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1tka h ASP 157 N 1.34 0.04 -0.86 1.61 3.32 -1.89 -2.27 116.42 117.72 1tka h ASP 157 Ca -0.32 0.08 0.14 0.00 0.02 0.00 0.00 57.03 56.95 1tka h ASP 157 Cb 1.12 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.70 1tka h ASP 157 CO 0.52 0.05 0.56 1.23 -1.72 0.00 0.00 179.24 179.88 1tka h GLY 158 N 0.25 1.09 1.12 2.75 0.00 -1.97 0.28 103.07 106.58 1tka h GLY 158 Ca 0.23 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 47.12 1tka h GLY 158 CO -0.28 0.09 -0.43 0.00 0.00 0.00 0.00 176.54 175.91 1tka n LEU 160 N -4.07 0.00 0.06 0.00 4.77 0.90 -2.31 117.00 116.36 1tka n LEU 160 Ca -0.03 0.50 0.10 0.00 -0.03 0.00 0.00 56.01 56.55 1tka n LEU 160 Cb 0.57 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1tka n LEU 160 CO 0.49 -0.20 -0.25 0.00 -1.33 0.00 0.00 177.39 176.10 1tka n GLN 161 N -1.50 0.62 -2.60 3.23 6.02 -0.72 -4.89 117.38 117.54 1tka n GLN 161 Ca 0.04 0.03 -0.43 0.00 -0.01 0.00 0.00 57.00 56.63 1tka n GLN 161 Cb 0.21 -1.73 -0.02 0.00 1.02 0.00 0.00 30.24 29.72 1tka n GLN 161 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1tka s GLU 162 N -3.37 4.26 0.53 -1.09 0.41 -0.98 -4.94 118.70 113.53 1tka s GLU 162 Ca -0.03 1.43 0.37 0.00 -0.41 0.00 0.00 54.97 56.33 1tka s GLU 162 Cb 0.11 -3.66 1.54 0.00 -1.78 0.00 0.00 34.13 30.33 1tka s GLU 162 CO 0.83 -0.63 1.77 0.78 -0.49 0.00 0.00 175.26 177.52 1tka h GLY 163 N 9.45 0.12 1.37 -1.39 0.00 -1.90 -0.44 103.07 110.29 1tka h GLY 163 Ca -0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1tka h GLY 163 CO 0.97 -0.02 0.35 1.19 0.00 0.00 0.00 176.54 179.03 1tka h ILE 164 N 0.03 1.18 -0.59 2.60 2.10 -1.92 -0.65 117.51 120.26 1tka h ILE 164 Ca 0.61 -0.42 -0.03 0.00 1.08 0.00 0.00 64.86 66.10 1tka h ILE 164 Cb 2.39 0.34 -0.03 0.00 -1.09 0.00 0.00 36.82 38.43 1tka h ILE 164 CO -0.04 0.19 0.23 0.28 -1.08 0.00 0.00 178.15 177.74 1tka h SER 165 N 0.84 0.78 0.09 2.19 0.02 -1.27 -0.25 113.55 115.96 1tka h SER 165 Ca 0.22 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1tka h SER 165 Cb -0.01 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1tka h SER 165 CO -0.04 0.71 -0.04 0.28 -1.14 0.00 0.00 176.83 176.59 1tka h SER 166 N 0.85 -0.10 -0.43 3.07 0.02 -1.40 0.12 113.55 115.67 1tka h SER 166 Ca 0.20 -0.32 0.09 0.00 -0.84 0.00 0.00 61.79 60.92 1tka h SER 166 Cb 0.17 0.03 -0.09 0.00 0.14 0.00 0.00 62.40 62.65 1tka h SER 166 CO -0.02 0.28 -0.22 -0.33 -1.14 0.00 0.00 176.83 175.40 1tka h GLU 167 N -0.50 -0.14 -0.18 3.45 5.08 -0.78 -0.01 114.58 121.51 1tka h GLU 167 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1tka h GLU 167 Cb 0.42 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1tka h GLU 167 CO 0.02 -0.09 0.12 0.00 -1.00 0.00 0.00 179.01 178.06 1tka h ALA 168 N 1.11 0.23 0.00 3.43 0.00 -1.02 -2.39 119.26 120.62 1tka h ALA 168 Ca 0.20 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1tka h ALA 168 Cb 0.46 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1tka h ALA 168 CO -0.51 -0.28 -0.31 0.77 0.00 0.00 0.00 179.25 178.92 1tka h SER 169 N 0.24 0.00 0.07 0.00 0.02 0.00 -0.73 113.55 113.14 1tka h SER 169 Ca 0.07 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1tka h SER 169 Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1tka h SER 169 CO -0.01 0.31 -0.03 -1.28 -1.14 0.00 0.00 176.83 174.67 1tka h SER 170 N 0.00 -0.08 -0.69 3.07 0.87 -0.82 -1.20 113.55 114.71 1tka h SER 170 Ca -0.00 -0.51 0.03 0.00 -1.23 0.00 0.00 61.79 60.08 1tka h SER 170 Cb 0.90 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.84 1tka h SER 170 CO 0.04 0.51 0.44 0.25 -0.53 0.00 0.00 176.83 177.53 1tka h LEU 171 N -0.71 0.72 -0.63 2.23 5.85 -1.19 0.39 115.31 121.97 1tka h LEU 171 Ca -0.01 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1tka h LEU 171 Cb 0.58 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1tka h LEU 171 CO 0.02 0.50 0.38 0.00 -0.34 0.00 0.00 178.44 179.00 1tka h ALA 172 N 1.29 0.81 -0.38 1.25 0.00 -1.17 0.13 119.26 121.18 1tka h ALA 172 Ca 0.27 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1tka h ALA 172 Cb -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1tka h ALA 172 CO -0.10 0.29 -0.00 0.78 0.00 0.00 0.00 179.25 180.22 1tka h GLY 173 N 0.86 0.65 0.88 0.00 0.00 -0.19 -1.84 103.07 103.43 1tka h GLY 173 Ca 0.23 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1tka h GLY 173 CO -0.04 0.37 0.06 0.84 0.00 0.00 0.00 176.54 177.77 1tka h HIS 174 N 0.57 0.48 0.00 5.60 6.17 -0.08 -2.80 115.15 125.10 1tka h HIS 174 Ca 0.12 -0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1tka h HIS 174 Cb 0.37 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.17 1tka h HIS 174 CO 0.01 0.54 0.00 1.28 0.71 0.00 0.00 177.93 180.48 1tka n LEU 175 N -4.67 0.00 -3.73 0.26 4.77 0.37 -4.82 117.00 109.18 1tka n LEU 175 Ca -0.03 0.07 -0.27 0.00 -0.03 0.00 0.00 56.01 55.75 1tka n LEU 175 Cb 0.19 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1tka n LEU 175 CO 0.37 -0.01 0.16 0.29 -1.33 0.00 0.00 177.39 176.87 1tka n LYS 176 N -1.07 -6.45 -2.42 3.23 5.02 -0.71 -4.47 118.16 111.28 1tka n LYS 176 Ca 0.18 0.70 -0.38 0.00 -2.02 0.00 0.00 58.31 56.79 1tka n LYS 176 Cb 0.11 -5.66 -0.02 0.00 -0.02 0.00 0.00 35.03 29.44 1tka n LYS 176 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1tka s LEU 177 N -7.25 3.58 0.60 -0.35 1.43 -1.11 -4.21 118.68 111.37 1tka s LEU 177 Ca 0.61 -2.12 0.38 0.00 -1.03 0.00 0.00 54.13 51.98 1tka s LEU 177 Cb -0.29 -2.58 1.83 0.00 0.03 0.00 0.00 46.19 45.17 1tka s LEU 177 CO 0.76 -1.77 2.15 1.23 0.23 0.00 0.00 176.35 178.95 1tka h GLY 178 N 14.16 0.00 -0.08 -3.19 0.00 -1.70 -3.07 103.07 109.20 1tka h GLY 178 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1tka h GLY 178 CO 1.39 0.00 0.00 0.70 0.00 0.00 0.00 176.54 178.63 1tka n ASN 179 N -3.07 0.51 -4.62 0.19 4.13 -1.26 -4.72 115.26 106.41 1tka n ASN 179 Ca -0.01 -1.73 -0.38 0.00 1.68 0.00 0.00 54.58 54.14 1tka n ASN 179 Cb 0.20 -0.05 -0.10 0.00 -1.54 0.00 0.00 39.78 38.30 1tka n ASN 179 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1tka s LEU 180 N -1.31 4.07 -0.20 3.41 2.96 -1.17 -1.47 118.68 124.98 1tka s LEU 180 Ca 0.19 0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 1tka s LEU 180 Cb 0.09 -2.26 0.05 0.00 0.50 0.00 0.00 46.19 44.58 1tka s LEU 180 CO 0.14 -0.06 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.47 1tka s ILE 181 N 1.59 1.00 -0.24 6.68 1.01 -0.22 -1.96 121.20 129.06 1tka s ILE 181 Ca 0.11 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 1tka s ILE 181 Cb -0.15 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.94 1tka s ILE 181 CO 0.08 -0.07 0.19 0.00 0.00 0.00 0.00 174.94 175.14 1tka s ALA 182 N 1.65 3.60 -0.15 9.38 0.00 0.86 -1.20 121.76 135.89 1tka s ALA 182 Ca -0.02 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 1tka s ALA 182 Cb -0.17 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 1tka s ALA 182 CO -0.07 -0.24 -0.03 0.42 0.00 0.00 0.00 175.76 175.84 1tka s ILE 183 N 1.15 3.98 -0.14 0.00 1.09 0.06 -0.37 121.20 126.99 1tka s ILE 183 Ca 0.09 -0.33 -0.01 0.00 -1.10 0.00 0.00 60.65 59.30 1tka s ILE 183 Cb -0.14 -2.75 -0.02 0.00 -1.06 0.00 0.00 42.46 38.50 1tka s ILE 183 CO 0.05 0.50 -0.10 -0.47 -0.10 0.00 0.00 174.94 174.82 1tka s TYR 184 N 0.30 2.88 -1.03 3.97 5.04 0.11 -1.31 117.35 127.31 1tka s TYR 184 Ca -0.03 -0.53 -0.23 0.00 -2.44 0.00 0.00 57.07 53.85 1tka s TYR 184 Cb -0.14 -1.88 0.05 0.00 0.35 0.00 0.00 41.96 40.35 1tka s TYR 184 CO 0.03 -0.15 1.46 0.34 -1.34 0.00 0.00 175.55 175.89 1tka s ASP 185 N 0.33 6.52 -1.54 4.32 2.15 0.14 -0.87 116.67 127.72 1tka s ASP 185 Ca -0.09 -1.52 -0.12 0.00 0.43 0.00 0.00 52.55 51.25 1tka s ASP 185 Cb -0.15 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 39.88 1tka s ASP 185 CO 0.05 -1.48 2.58 -0.67 -0.17 0.00 0.00 175.17 175.48 1tka n ASP 186 N 8.80 6.31 -0.35 -0.34 2.03 -0.39 -4.31 116.55 128.30 1tka n ASP 186 Ca 0.34 -2.72 0.14 0.00 0.52 0.00 0.00 54.79 53.06 1tka n ASP 186 Cb 0.51 -1.61 0.46 0.00 -0.72 0.00 0.00 41.12 39.77 1tka n ASP 186 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1tka n ASN 187 N 4.80 1.22 -0.18 1.67 6.94 -1.26 -3.04 115.26 125.42 1tka n ASN 187 Ca 0.65 -1.17 -0.02 0.00 -0.02 0.00 0.00 54.58 54.01 1tka n ASN 187 Cb 0.31 0.06 -0.01 0.00 -2.36 0.00 0.00 39.78 37.78 1tka n ASN 187 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1tka n LYS 188 N -0.26 -1.94 -4.38 -3.83 4.01 -1.26 -4.37 118.16 106.13 1tka n LYS 188 Ca 0.16 0.54 -0.20 0.00 -0.51 0.00 0.00 58.31 58.30 1tka n LYS 188 Cb 0.35 -4.91 -0.14 0.00 -0.51 0.00 0.00 35.03 29.82 1tka n LYS 188 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1tka s ILE 189 N -1.13 1.04 0.29 -0.18 -1.09 -1.26 -1.23 121.20 117.64 1tka s ILE 189 Ca 0.00 -0.87 0.03 0.00 -2.23 0.00 0.00 60.65 57.57 1tka s ILE 189 Cb 0.00 -0.93 -0.03 0.00 -1.58 0.00 0.00 42.46 39.92 1tka s ILE 189 CO 0.00 0.05 0.27 0.42 -1.23 0.00 0.00 174.94 174.45 1tka s THR 190 N -0.73 0.00 0.28 2.92 -4.23 -0.93 -4.84 115.64 108.12 1tka s THR 190 Ca 0.02 -1.92 0.02 0.00 -1.18 0.00 0.00 61.69 58.63 1tka s THR 190 Cb -0.07 -2.51 0.27 0.00 1.34 0.00 0.00 72.50 71.53 1tka s THR 190 CO 0.01 0.00 1.72 0.40 -0.54 0.00 0.00 174.62 176.21 1tka h ILE 191 N 2.28 0.57 0.00 2.99 2.04 -1.99 -2.43 117.51 120.97 1tka h ILE 191 Ca -0.29 -0.17 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 1tka h ILE 191 Cb 1.24 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1tka h ILE 191 CO 0.42 0.09 -0.35 0.44 0.00 0.00 0.00 178.15 178.75 1tka h ASP 192 N 0.48 0.00 0.00 1.72 5.19 -1.98 -3.49 116.42 118.34 1tka h ASP 192 Ca 0.53 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.94 1tka h ASP 192 Cb 0.92 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.43 1tka h ASP 192 CO -0.47 0.33 0.00 0.61 -3.12 0.00 0.00 179.24 176.59 1tka n GLY 193 N 1.19 -0.08 3.77 2.75 0.00 -0.91 -5.08 105.19 106.82 1tka n GLY 193 Ca 0.03 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 1tka n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tka s ALA 194 N -1.00 3.51 0.26 4.61 0.00 -1.26 -2.19 121.76 125.68 1tka s ALA 194 Ca 0.00 1.33 -0.02 0.00 0.00 0.00 0.00 51.96 53.27 1tka s ALA 194 Cb 0.00 -3.51 0.48 0.00 0.00 0.00 0.00 23.12 20.10 1tka s ALA 194 CO 0.00 -0.73 1.79 1.79 0.00 0.00 0.00 175.76 178.61 1tka h THR 195 N 3.01 0.82 -1.05 0.00 1.35 -1.44 -1.91 112.91 113.68 1tka h THR 195 Ca -0.49 -0.25 0.31 0.00 -0.55 0.00 0.00 66.41 65.42 1tka h THR 195 Cb 1.23 0.03 -0.04 0.00 -1.73 0.00 0.00 68.15 67.63 1tka h THR 195 CO 0.65 0.13 0.82 0.77 -0.25 0.00 0.00 175.52 177.65 1tka h SER 196 N 0.73 0.00 0.18 5.36 4.64 -1.83 0.71 113.55 123.34 1tka h SER 196 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1tka h SER 196 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1tka h SER 196 CO -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.65 1tka n ILE 197 N -4.03 1.48 0.05 0.95 0.13 -0.72 -4.36 119.36 112.86 1tka n ILE 197 Ca 0.23 0.37 0.00 0.00 -1.10 0.00 0.00 62.75 62.25 1tka n ILE 197 Cb 1.17 -1.27 0.00 0.00 -0.84 0.00 0.00 39.64 38.70 1tka n ILE 197 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 1tka n SER 198 N -1.46 -0.69 -4.44 9.51 3.41 0.41 -5.07 113.62 115.28 1tka n SER 198 Ca 0.02 0.17 -0.44 0.00 -0.26 0.00 0.00 58.87 58.36 1tka n SER 198 Cb 0.06 0.95 -0.07 0.00 -0.26 0.00 0.00 64.21 64.90 1tka n SER 198 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1tka s PHE 199 N -2.00 3.09 -0.01 7.33 5.36 0.22 -4.80 117.98 127.17 1tka s PHE 199 Ca 0.00 -0.57 0.05 0.00 -0.96 0.00 0.00 56.93 55.45 1tka s PHE 199 Cb 0.00 -3.43 0.09 0.00 -0.34 0.00 0.00 43.02 39.34 1tka s PHE 199 CO 0.00 -0.97 1.04 -0.40 -1.46 0.00 0.00 175.22 173.43 1tka n ASP 200 N 5.98 0.30 -3.16 6.13 5.75 -1.26 -3.14 116.55 127.15 1tka n ASP 200 Ca -0.07 -2.08 -0.18 0.00 -0.01 0.00 0.00 54.79 52.45 1tka n ASP 200 Cb 0.45 -0.23 0.15 0.00 -1.03 0.00 0.00 41.12 40.46 1tka n ASP 200 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1tka n GLU 201 N -0.00 -2.12 -3.64 0.11 0.28 -1.26 -5.00 120.64 109.00 1tka n GLU 201 Ca 0.02 -1.11 -0.38 0.00 -0.16 0.00 0.00 57.16 55.53 1tka n GLU 201 Cb 0.77 -0.99 -0.08 0.00 1.43 0.00 0.00 31.44 32.57 1tka n GLU 201 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1tka s ASP 202 N -3.43 5.63 0.08 -1.84 -1.08 -1.26 -4.96 116.67 109.81 1tka s ASP 202 Ca 0.44 -3.05 -0.27 0.00 -0.52 0.00 0.00 52.55 49.15 1tka s ASP 202 Cb -0.04 -1.92 -0.12 0.00 -1.46 0.00 0.00 42.92 39.39 1tka s ASP 202 CO 0.34 -0.35 1.43 0.58 0.52 0.00 0.00 175.17 177.68 1tka h VAL 203 N 4.90 0.00 -0.71 1.11 2.07 -1.97 0.18 116.25 121.82 1tka h VAL 203 Ca 0.05 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.70 1tka h VAL 203 Cb 0.93 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.57 1tka h VAL 203 CO 0.75 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 178.11 1tka h ALA 204 N -0.81 0.35 -0.28 1.67 0.00 -1.98 0.44 119.26 118.65 1tka h ALA 204 Ca -0.01 0.26 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 1tka h ALA 204 Cb 0.59 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1tka h ALA 204 CO -0.20 -0.48 -0.42 -0.22 0.00 0.00 0.00 179.25 177.92 1tka h LYS 205 N -0.04 0.69 -0.80 0.00 3.64 -1.94 -1.64 116.57 116.48 1tka h LYS 205 Ca 0.33 -0.37 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1tka h LYS 205 Cb 0.55 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 1tka h LYS 205 CO -0.75 0.98 0.45 -0.09 -2.27 0.00 0.00 179.45 177.77 1tka h ARG 206 N 0.56 1.11 -0.14 1.90 2.43 0.30 -2.39 114.38 118.14 1tka h ARG 206 Ca 0.04 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 1tka h ARG 206 Cb 0.96 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1tka h ARG 206 CO 0.09 0.80 -0.47 1.88 -1.51 0.00 0.00 179.97 180.76 1tka h TYR 207 N 1.12 0.44 0.00 2.20 -1.99 0.19 -2.80 116.97 116.12 1tka h TYR 207 Ca 0.28 -0.14 -0.05 0.00 2.00 0.00 0.00 58.73 60.82 1tka h TYR 207 Cb 0.01 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 38.64 1tka h TYR 207 CO 0.01 0.77 -0.25 0.93 -0.00 0.00 0.00 178.16 179.61 1tka h GLU 208 N 0.29 0.00 0.00 4.88 5.08 -1.17 -2.07 114.58 121.60 1tka h GLU 208 Ca 0.02 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1tka h GLU 208 Cb 0.94 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1tka h GLU 208 CO 0.08 0.25 -0.26 0.00 -1.00 0.00 0.00 179.01 178.09 1tka h ALA 209 N 1.75 1.04 0.00 3.43 0.00 -1.16 -3.10 119.26 121.21 1tka h ALA 209 Ca -0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1tka h ALA 209 Cb 0.75 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1tka h ALA 209 CO 0.03 0.32 -0.52 1.88 0.00 0.00 0.00 179.25 180.97 1tka h TYR 210 N 0.00 0.00 0.00 0.00 0.05 -1.33 -3.48 116.97 112.21 1tka h TYR 210 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1tka h TYR 210 Cb 0.75 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.49 1tka h TYR 210 CO 0.00 0.52 0.00 0.41 -1.05 0.00 0.00 178.16 178.04 1tka n GLY 211 N 1.18 1.34 3.94 3.88 0.00 -1.09 -4.11 105.19 110.32 1tka n GLY 211 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1tka n GLY 211 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1tka s TRP 212 N -2.00 3.49 -0.07 1.61 0.52 -0.90 -4.32 118.94 117.26 1tka s TRP 212 Ca 0.00 0.40 -0.14 0.00 0.02 0.00 0.00 56.10 56.38 1tka s TRP 212 Cb 0.00 -1.97 -0.05 0.00 -1.15 0.00 0.00 33.47 30.30 1tka s TRP 212 CO 0.00 0.04 0.37 -2.00 0.02 0.00 0.00 176.95 175.38 1tka s GLU 213 N -4.39 4.03 -0.29 4.98 2.12 0.21 -4.26 118.70 121.10 1tka s GLU 213 Ca 0.41 0.29 -0.06 0.00 0.36 0.00 0.00 54.97 55.97 1tka s GLU 213 Cb -0.10 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 31.00 1tka s GLU 213 CO 0.37 0.50 0.06 0.08 -0.54 0.00 0.00 175.26 175.74 1tka s VAL 214 N -0.40 3.85 0.18 3.70 1.01 -1.26 -1.06 120.40 126.42 1tka s VAL 214 Ca 0.22 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1tka s VAL 214 Cb -0.15 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1tka s VAL 214 CO 0.10 0.10 0.20 -0.76 0.00 0.00 0.00 175.10 174.74 1tka s LEU 215 N 1.48 3.99 -0.01 3.92 1.43 -0.21 -4.97 118.68 124.32 1tka s LEU 215 Ca 0.02 -0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.15 1tka s LEU 215 Cb -0.17 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 1tka s LEU 215 CO 0.02 0.04 -0.23 -0.31 0.23 0.00 0.00 176.35 176.10 1tka s TYR 216 N -1.82 2.01 -0.22 0.29 1.51 -1.26 -0.72 117.35 117.14 1tka s TYR 216 Ca 0.32 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 56.01 1tka s TYR 216 Cb -0.10 -1.28 0.05 0.00 -0.11 0.00 0.00 41.96 40.52 1tka s TYR 216 CO 0.25 -0.01 -0.09 0.08 -1.11 0.00 0.00 175.55 174.67 1tka s VAL 217 N -0.57 1.70 0.13 0.71 1.01 0.56 -4.91 120.40 119.02 1tka s VAL 217 Ca 0.09 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 60.90 1tka s VAL 217 Cb -0.09 -1.84 -0.20 0.00 0.00 0.00 0.00 36.38 34.25 1tka s VAL 217 CO -0.00 0.05 1.29 1.05 0.00 0.00 0.00 175.10 177.49 1tka h GLU 218 N 7.93 0.19 -2.90 2.72 4.11 -1.89 0.85 114.58 125.59 1tka h GLU 218 Ca -0.23 -0.25 -0.62 0.00 0.07 0.00 0.00 59.36 58.33 1tka h GLU 218 Cb 1.08 0.08 -0.41 0.00 0.50 0.00 0.00 28.75 30.00 1tka h GLU 218 CO 0.45 1.04 -0.53 -1.71 0.07 0.00 0.00 179.01 178.33 1tka n ASN 219 N -3.57 3.32 0.13 3.06 2.85 -1.26 -4.29 115.26 115.49 1tka n ASN 219 Ca -0.04 -3.27 0.11 0.00 -0.11 0.00 0.00 54.58 51.27 1tka n ASN 219 Cb 0.89 -0.76 0.49 0.00 1.24 0.00 0.00 39.78 41.64 1tka n ASN 219 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1tka n GLY 220 N 1.71 -1.20 0.16 8.20 0.00 0.33 -0.35 105.19 114.05 1tka n GLY 220 Ca 0.22 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 1tka n GLY 220 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1tka h ASN 221 N 0.00 0.56 0.00 1.61 2.35 -1.87 -3.41 115.58 114.82 1tka h ASN 221 Ca 0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1tka h ASN 221 Cb 0.31 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1tka h ASN 221 CO 0.00 1.23 0.00 -1.84 -1.65 0.00 0.00 177.43 175.17 1tka n GLU 222 N -3.77 1.10 -2.58 0.81 0.28 -1.15 -4.86 120.64 110.47 1tka n GLU 222 Ca -0.07 -0.03 -0.43 0.00 -0.16 0.00 0.00 57.16 56.47 1tka n GLU 222 Cb 0.82 -0.27 0.00 0.00 1.43 0.00 0.00 31.44 33.42 1tka n GLU 222 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1tka n ASP 223 N -0.17 4.93 -0.14 -1.84 2.03 0.53 -4.76 116.55 117.13 1tka n ASP 223 Ca 0.00 -2.95 -0.04 0.00 0.52 0.00 0.00 54.79 52.31 1tka n ASP 223 Cb 0.06 -1.64 0.05 0.00 -0.72 0.00 0.00 41.12 38.86 1tka n ASP 223 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1tka h LEU 224 N 10.69 0.17 -2.15 -2.67 3.38 -1.92 -0.86 115.31 121.94 1tka h LEU 224 Ca 0.41 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.44 1tka h LEU 224 Cb 0.81 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1tka h LEU 224 CO 1.45 0.13 0.03 0.00 0.09 0.00 0.00 178.44 180.15 1tka h ALA 225 N 1.30 1.87 0.19 1.53 0.00 -1.99 -0.14 119.26 122.02 1tka h ALA 225 Ca 0.21 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.77 1tka h ALA 225 Cb 0.21 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1tka h ALA 225 CO -0.22 -0.05 -1.75 0.78 0.00 0.00 0.00 179.25 178.01 1tka h GLY 226 N 0.00 0.46 0.80 0.00 0.00 -1.70 -1.98 103.07 100.66 1tka h GLY 226 Ca 0.02 -1.18 0.04 0.00 0.00 0.00 0.00 47.33 46.21 1tka h GLY 226 CO -0.00 1.03 0.43 -2.22 0.00 0.00 0.00 176.54 175.78 1tka h ILE 227 N 0.11 1.05 -0.52 2.60 2.04 -1.02 -0.22 117.51 121.56 1tka h ILE 227 Ca -0.34 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.14 1tka h ILE 227 Cb 2.11 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 1tka h ILE 227 CO 0.18 0.15 -0.04 0.00 0.00 0.00 0.00 178.15 178.44 1tka h ALA 228 N 1.32 0.70 -0.41 1.87 0.00 -1.03 -2.98 119.26 118.73 1tka h ALA 228 Ca 0.30 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1tka h ALA 228 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1tka h ALA 228 CO -0.13 0.55 0.01 0.87 0.00 0.00 0.00 179.25 180.55 1tka h LYS 229 N 0.81 0.66 0.21 0.00 1.79 -1.02 -1.12 116.57 117.89 1tka h LYS 229 Ca 0.14 -0.16 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1tka h LYS 229 Cb 0.58 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1tka h LYS 229 CO 0.03 0.67 -0.10 0.00 -1.08 0.00 0.00 179.45 178.98 1tka h ALA 230 N 1.39 -0.28 -0.97 3.86 0.00 -0.94 -1.16 119.26 121.16 1tka h ALA 230 Ca 0.13 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1tka h ALA 230 Cb 0.38 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1tka h ALA 230 CO 0.01 -0.51 0.63 0.82 0.00 0.00 0.00 179.25 180.20 1tka h ILE 231 N -0.56 1.25 -0.03 0.00 2.04 -1.48 0.31 117.51 119.04 1tka h ILE 231 Ca -0.03 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.39 1tka h ILE 231 Cb 0.42 -0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.28 1tka h ILE 231 CO 0.05 0.25 -0.29 0.00 0.00 0.00 0.00 178.15 178.15 1tka h ALA 232 N 1.35 -0.39 -0.65 1.87 0.00 -1.04 -2.01 119.26 118.39 1tka h ALA 232 Ca 0.35 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1tka h ALA 232 Cb -0.14 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1tka h ALA 232 CO -0.07 -0.79 0.34 0.37 0.00 0.00 0.00 179.25 179.09 1tka h GLN 233 N -0.42 0.92 -0.84 0.00 5.75 -0.64 -1.22 115.11 118.66 1tka h GLN 233 Ca 0.07 -0.12 0.07 0.00 -0.15 0.00 0.00 58.65 58.52 1tka h GLN 233 Cb 0.52 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 28.84 1tka h GLN 233 CO -0.27 0.71 0.55 0.00 -2.65 0.00 0.00 178.83 177.17 1tka h ALA 234 N 1.16 1.61 0.00 3.38 0.00 -0.10 -2.04 119.26 123.27 1tka h ALA 234 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1tka h ALA 234 Cb 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1tka h ALA 234 CO -0.03 0.24 0.00 1.63 0.00 0.00 0.00 179.25 181.09 1tka n LYS 235 N -4.50 0.00 -0.03 0.00 5.02 -0.46 -1.23 118.16 116.96 1tka n LYS 235 Ca 0.13 0.38 -0.10 0.00 -2.02 0.00 0.00 58.31 56.69 1tka n LYS 235 Cb 0.24 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.61 1tka n LYS 235 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1tka n LEU 236 N -1.50 0.99 -3.94 -0.35 4.77 -0.77 -4.58 117.00 111.62 1tka n LEU 236 Ca 0.02 0.32 -0.37 0.00 -0.03 0.00 0.00 56.01 55.95 1tka n LEU 236 Cb 0.08 0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1tka n LEU 236 CO 0.07 0.47 1.74 -1.54 -1.33 0.00 0.00 177.39 176.80 1tka n SER 237 N -3.05 2.29 0.12 -1.43 3.41 -0.37 -4.69 113.62 109.89 1tka n SER 237 Ca -0.21 -2.64 -0.01 0.00 -0.26 0.00 0.00 58.87 55.75 1tka n SER 237 Cb 1.07 -1.22 0.23 0.00 -0.26 0.00 0.00 64.21 64.02 1tka n SER 237 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1tka h LYS 238 N 9.09 0.16 0.00 4.33 1.57 -1.83 -3.17 116.57 126.73 1tka h LYS 238 Ca 0.30 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1tka h LYS 238 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1tka h LYS 238 CO 1.70 0.59 0.00 -0.40 -0.57 0.00 0.00 179.45 180.77 1tka n ASP 239 N -3.99 0.15 -3.76 0.86 5.75 -1.26 -2.80 116.55 111.50 1tka n ASP 239 Ca -0.02 0.52 -0.13 0.00 -0.01 0.00 0.00 54.79 55.16 1tka n ASP 239 Cb 0.50 -0.56 -0.12 0.00 -1.03 0.00 0.00 41.12 39.91 1tka n ASP 239 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1tka s LYS 240 N -3.03 0.25 0.94 0.11 -2.85 -1.20 -4.56 119.74 109.40 1tka s LYS 240 Ca 0.12 0.43 -0.11 0.00 -1.00 0.00 0.00 55.97 55.41 1tka s LYS 240 Cb 0.16 0.01 0.16 0.00 -2.06 0.00 0.00 37.83 36.10 1tka s LYS 240 CO 0.48 -0.10 1.10 -1.25 0.10 0.00 0.00 175.35 175.68 1tka s PRO 241 N 0.67 0.86 -0.07 1.78 0.04 -1.20 -4.25 135.00 132.83 1tka s PRO 241 Ca -0.04 1.20 0.05 0.00 0.04 0.00 0.00 61.00 62.24 1tka s PRO 241 Cb -0.06 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 1tka s PRO 241 CO -0.04 -2.62 -0.24 0.99 0.04 0.00 0.00 177.00 175.13 1tka s THR 242 N -2.71 1.98 -0.19 1.26 2.01 -0.83 -0.62 115.64 116.54 1tka s THR 242 Ca 0.65 -1.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.58 1tka s THR 242 Cb -0.21 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1tka s THR 242 CO 0.59 0.55 0.06 -0.22 -0.69 0.00 0.00 174.62 174.91 1tka s LEU 243 N 0.05 3.79 -0.31 4.42 2.96 -0.22 -0.10 118.68 129.26 1tka s LEU 243 Ca -0.09 0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.84 1tka s LEU 243 Cb -0.15 -1.96 0.04 0.00 0.50 0.00 0.00 46.19 44.62 1tka s LEU 243 CO 0.05 0.16 0.05 -0.63 -1.32 0.00 0.00 176.35 174.66 1tka s ILE 244 N 0.44 3.43 -0.56 6.68 1.01 0.51 -1.04 121.20 131.66 1tka s ILE 244 Ca 0.03 -1.17 -0.28 0.00 0.00 0.00 0.00 60.65 59.23 1tka s ILE 244 Cb -0.13 -2.92 0.03 0.00 0.01 0.00 0.00 42.46 39.45 1tka s ILE 244 CO 0.01 -0.09 1.23 -0.75 0.00 0.00 0.00 174.94 175.33 1tka s LYS 245 N 1.35 3.51 -0.22 2.79 2.20 0.10 -0.71 119.74 128.76 1tka s LYS 245 Ca -0.02 0.34 -0.01 0.00 -0.36 0.00 0.00 55.97 55.92 1tka s LYS 245 Cb -0.19 -4.02 0.02 0.00 -1.51 0.00 0.00 37.83 32.13 1tka s LYS 245 CO 0.01 -1.69 -0.11 1.41 -0.36 0.00 0.00 175.35 174.61 1tka s MET 246 N 4.99 2.97 0.05 4.03 1.75 -0.05 -0.33 119.30 132.71 1tka s MET 246 Ca 0.46 -0.87 -0.26 0.00 -1.25 0.00 0.00 55.69 53.76 1tka s MET 246 Cb -0.08 -2.84 -0.05 0.00 2.84 0.00 0.00 34.83 34.70 1tka s MET 246 CO 0.26 -0.30 0.81 0.99 -0.65 0.00 0.00 175.02 176.13 1tka s THR 247 N 1.33 4.70 0.11 10.11 2.01 0.29 -1.27 115.64 132.92 1tka s THR 247 Ca 0.02 1.72 -0.05 0.00 0.31 0.00 0.00 61.69 63.69 1tka s THR 247 Cb -0.15 -4.16 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 1tka s THR 247 CO -0.07 0.35 0.13 0.42 -0.69 0.00 0.00 174.62 174.76 1tka s THR 248 N -0.01 0.14 -0.28 -0.82 -4.23 -1.17 -0.51 115.64 108.75 1tka s THR 248 Ca 0.40 -1.54 -0.12 0.00 -1.18 0.00 0.00 61.69 59.25 1tka s THR 248 Cb -0.21 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 1tka s THR 248 CO 0.24 -0.62 0.25 -0.89 -0.54 0.00 0.00 174.62 173.07 1tka s THR 249 N -3.94 5.26 0.28 3.99 2.01 -1.26 -4.11 115.64 117.87 1tka s THR 249 Ca 0.12 0.25 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 1tka s THR 249 Cb 0.06 -3.61 -0.12 0.00 0.01 0.00 0.00 72.50 68.85 1tka s THR 249 CO -0.05 0.19 1.63 -0.51 -0.69 0.00 0.00 174.62 175.18 1tka s ILE 250 N 1.86 2.00 -0.79 1.82 2.07 -1.26 -1.96 121.20 124.95 1tka s ILE 250 Ca 0.09 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.34 1tka s ILE 250 Cb -0.16 -3.00 0.00 0.00 0.13 0.00 0.00 42.46 39.43 1tka s ILE 250 CO 0.11 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.75 1tka n GLY 251 N 2.47 0.46 3.52 1.50 0.00 -0.41 0.76 105.19 113.49 1tka n GLY 251 Ca 0.10 -0.59 -0.55 0.00 0.00 0.00 0.00 46.02 44.98 1tka n GLY 251 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1tka n TYR 252 N -3.46 0.78 0.00 1.61 4.19 -0.83 -1.22 117.16 118.23 1tka n TYR 252 Ca -0.09 0.90 0.00 0.00 3.31 0.00 0.00 57.90 62.02 1tka n TYR 252 Cb 0.44 -2.15 0.00 0.00 0.49 0.00 0.00 39.34 38.12 1tka n TYR 252 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1tka n GLY 253 N 1.85 3.25 3.84 2.98 0.00 -1.26 -4.72 105.19 111.13 1tka n GLY 253 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1tka n GLY 253 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tka s SER 254 N -1.07 6.75 0.54 1.61 0.15 -0.36 -4.58 113.70 116.74 1tka s SER 254 Ca 0.00 1.49 0.21 0.00 0.70 0.00 0.00 55.95 58.34 1tka s SER 254 Cb 0.00 -2.46 1.43 0.00 -1.71 0.00 0.00 66.02 63.28 1tka s SER 254 CO 0.00 -0.40 2.16 -0.07 1.20 0.00 0.00 173.24 176.13 1tka h LEU 255 N 1.58 0.00 -3.31 3.45 3.38 -1.87 -3.00 115.31 115.55 1tka h LEU 255 Ca -0.48 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.29 1tka h LEU 255 Cb 1.18 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 1tka h LEU 255 CO 0.62 0.00 -0.40 1.41 0.09 0.00 0.00 178.44 180.16 1tka n HIS 256 N -4.33 1.06 -2.00 1.13 8.25 -1.26 -5.04 115.22 113.04 1tka n HIS 256 Ca -0.02 -1.76 -0.42 0.00 -0.26 0.00 0.00 57.72 55.27 1tka n HIS 256 Cb 0.13 -0.39 -0.02 0.00 1.12 0.00 0.00 29.99 30.83 1tka n HIS 256 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tka s ALA 257 N -3.35 3.66 0.00 -1.41 0.00 -1.13 -2.13 121.76 117.39 1tka s ALA 257 Ca 0.44 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1tka s ALA 257 Cb 0.40 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1tka s ALA 257 CO -0.02 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1tka n GLY 258 N 2.54 0.79 3.94 0.00 0.00 0.23 -4.95 105.19 107.74 1tka n GLY 258 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1tka n GLY 258 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tka s SER 259 N -2.62 6.33 0.27 1.61 0.15 -0.91 -4.90 113.70 113.63 1tka s SER 259 Ca 0.00 0.43 0.24 0.00 0.70 0.00 0.00 55.95 57.32 1tka s SER 259 Cb 0.00 -2.02 0.99 0.00 -1.71 0.00 0.00 66.02 63.27 1tka s SER 259 CO 0.00 -0.21 1.73 0.00 1.20 0.00 0.00 173.24 175.95 1tka n HIS 260 N -1.45 0.86 -0.05 3.44 -0.00 -1.26 -2.65 115.22 114.11 1tka n HIS 260 Ca -0.05 0.33 0.03 0.00 -0.00 0.00 0.00 57.72 58.03 1tka n HIS 260 Cb 0.56 -1.04 0.37 0.00 -0.00 0.00 0.00 29.99 29.88 1tka n HIS 260 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1tka h SER 261 N 0.00 0.56 0.54 4.39 4.64 -1.93 -1.76 113.55 119.99 1tka h SER 261 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1tka h SER 261 Cb 0.40 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1tka h SER 261 CO 0.00 0.43 0.00 1.33 -0.87 0.00 0.00 176.83 177.72 1tka n VAL 262 N -4.44 0.69 0.23 0.95 0.24 -1.08 -3.94 118.33 110.98 1tka n VAL 262 Ca 0.04 0.17 -0.11 0.00 -2.04 0.00 0.00 64.34 62.40 1tka n VAL 262 Cb 0.08 -0.87 -0.06 0.00 -1.47 0.00 0.00 33.84 31.52 1tka n VAL 262 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1tka h HIS 263 N 0.00 -0.76 0.00 6.34 -0.00 -1.48 -1.72 115.15 117.53 1tka h HIS 263 Ca 0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 1tka h HIS 263 Cb 0.27 0.28 -0.08 0.00 -0.00 0.00 0.00 27.41 27.87 1tka h HIS 263 CO 0.00 -0.41 -0.46 0.41 -0.00 0.00 0.00 177.93 177.47 1tka n GLY 264 N -1.35 3.11 3.30 5.26 0.00 -1.25 -3.22 105.19 111.03 1tka n GLY 264 Ca -0.08 -0.85 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 1tka n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tka s ALA 265 N -1.69 1.80 0.48 4.61 0.00 -1.07 -4.34 121.76 121.56 1tka s ALA 265 Ca 0.26 -1.40 -0.23 0.00 0.00 0.00 0.00 51.96 50.59 1tka s ALA 265 Cb 0.26 -0.14 -0.08 0.00 0.00 0.00 0.00 23.12 23.15 1tka s ALA 265 CO -0.04 0.19 1.15 -0.35 0.00 0.00 0.00 175.76 176.70 1tka n PRO 266 N 0.41 1.51 -1.29 0.00 -0.04 -1.24 -4.29 135.00 130.06 1tka n PRO 266 Ca -0.14 0.55 -0.31 0.00 -0.04 0.00 0.00 63.50 63.56 1tka n PRO 266 Cb 0.57 -2.27 0.09 0.00 -0.04 0.00 0.00 33.50 31.84 1tka n PRO 266 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1tka s LEU 267 N -1.71 3.05 0.33 1.53 1.43 -1.26 -5.00 118.68 117.06 1tka s LEU 267 Ca 0.66 1.83 -0.27 0.00 -1.03 0.00 0.00 54.13 55.33 1tka s LEU 267 Cb -0.49 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.12 1tka s LEU 267 CO 0.54 -2.00 1.04 -0.54 0.23 0.00 0.00 176.35 175.62 1tka s LYS 268 N -4.86 4.45 0.23 1.70 3.01 -1.26 -4.86 119.74 118.16 1tka s LYS 268 Ca 0.61 1.59 -0.15 0.00 -1.01 0.00 0.00 55.97 57.01 1tka s LYS 268 Cb -0.17 -2.87 0.27 0.00 -1.01 0.00 0.00 37.83 34.05 1tka s LYS 268 CO 0.55 0.10 1.57 0.00 0.51 0.00 0.00 175.35 178.08 1tka h ALA 269 N 3.21 0.27 -0.99 5.17 0.00 -1.99 0.40 119.26 125.33 1tka h ALA 269 Ca -0.47 0.28 0.13 0.00 0.00 0.00 0.00 54.91 54.85 1tka h ALA 269 Cb 1.21 0.86 -0.08 0.00 0.00 0.00 0.00 17.79 19.77 1tka h ALA 269 CO 0.65 -0.55 0.63 0.38 0.00 0.00 0.00 179.25 180.35 1tka h ASP 270 N -0.03 0.89 0.69 0.00 2.03 -1.99 0.70 116.42 118.71 1tka h ASP 270 Ca 0.35 0.05 -0.16 0.00 -0.73 0.00 0.00 57.03 56.54 1tka h ASP 270 Cb 0.61 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 38.96 1tka h ASP 270 CO -0.91 0.46 -0.77 -0.78 -1.03 0.00 0.00 179.24 176.22 1tka h ASP 271 N 0.95 0.07 0.35 4.15 3.58 -0.65 -2.40 116.42 122.46 1tka h ASP 271 Ca 0.50 -0.05 -0.25 0.00 0.42 0.00 0.00 57.03 57.64 1tka h ASP 271 Cb 0.54 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.57 1tka h ASP 271 CO -0.26 0.80 -1.07 0.58 -2.88 0.00 0.00 179.24 176.41 1tka h VAL 272 N 0.03 1.39 -0.07 2.25 2.07 0.03 -2.68 116.25 119.28 1tka h VAL 272 Ca -0.01 -2.57 -0.01 0.00 0.82 0.00 0.00 66.70 64.92 1tka h VAL 272 Cb 1.35 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 33.70 1tka h VAL 272 CO 0.10 0.77 -0.00 0.11 0.02 0.00 0.00 177.57 178.57 1tka h LYS 273 N 0.21 0.12 -0.74 1.57 1.57 -0.81 -2.23 116.57 116.27 1tka h LYS 273 Ca -0.11 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1tka h LYS 273 Cb 1.73 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.97 1tka h LYS 273 CO 0.19 0.41 0.42 -0.56 -0.57 0.00 0.00 179.45 179.35 1tka h GLN 274 N -0.18 0.74 -0.43 3.15 -0.00 -1.51 -2.22 115.11 114.65 1tka h GLN 274 Ca 0.02 -0.04 0.07 0.00 -0.00 0.00 0.00 58.65 58.69 1tka h GLN 274 Cb 0.36 -0.17 -0.06 0.00 -0.00 0.00 0.00 27.48 27.62 1tka h GLN 274 CO 0.00 0.49 0.10 1.25 -0.00 0.00 0.00 178.83 180.68 1tka h LEU 275 N 0.76 0.05 0.68 0.06 5.85 -1.30 0.37 115.31 121.77 1tka h LEU 275 Ca 0.33 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 59.09 1tka h LEU 275 Cb 0.22 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1tka h LEU 275 CO -0.19 0.06 -0.35 0.11 -0.34 0.00 0.00 178.44 177.73 1tka h LYS 276 N 0.24 -0.90 -0.77 1.25 1.57 -0.82 -1.62 116.57 115.52 1tka h LYS 276 Ca 0.21 0.06 0.18 0.00 -1.87 0.00 0.00 60.65 59.23 1tka h LYS 276 Cb 0.25 0.21 -0.12 0.00 0.08 0.00 0.00 32.23 32.64 1tka h LYS 276 CO -0.26 -0.60 0.12 0.77 -0.57 0.00 0.00 179.45 178.91 1tka h SER 277 N -0.94 -0.13 -0.96 0.86 0.02 -0.95 0.89 113.55 112.34 1tka h SER 277 Ca -0.09 0.17 0.17 0.00 -0.84 0.00 0.00 61.79 61.20 1tka h SER 277 Cb 0.73 0.27 -0.09 0.00 0.14 0.00 0.00 62.40 63.45 1tka h SER 277 CO 0.14 -0.12 0.61 0.50 -1.14 0.00 0.00 176.83 176.82 1tka h LYS 278 N 0.19 0.72 -0.18 3.45 3.64 -0.41 0.41 116.57 124.39 1tka h LYS 278 Ca 0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1tka h LYS 278 Cb 0.79 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1tka h LYS 278 CO -0.60 0.48 0.00 1.19 -2.27 0.00 0.00 179.45 178.25 1tka n PHE 279 N -4.64 0.21 -0.93 1.91 3.72 0.06 -4.95 117.46 112.85 1tka n PHE 279 Ca 0.20 -0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1tka n PHE 279 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 1tka n PHE 279 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1tka n GLY 280 N 1.39 0.68 3.86 1.37 0.00 0.14 -5.04 105.19 107.59 1tka n GLY 280 Ca 0.17 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 1tka n GLY 280 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tka s PHE 281 N -2.00 3.31 0.02 1.61 0.40 0.08 -4.95 117.98 116.45 1tka s PHE 281 Ca 0.00 0.06 -0.30 0.00 -0.60 0.00 0.00 56.93 56.09 1tka s PHE 281 Cb 0.00 -1.60 -0.05 0.00 0.51 0.00 0.00 43.02 41.88 1tka s PHE 281 CO 0.00 0.52 1.29 1.21 0.70 0.00 0.00 175.22 178.94 1tka s ASN 282 N -3.03 6.97 0.20 1.36 3.84 -1.26 -2.20 114.94 120.81 1tka s ASN 282 Ca 0.32 2.04 0.24 0.00 0.21 0.00 0.00 52.86 55.68 1tka s ASN 282 Cb -0.11 -2.57 0.90 0.00 -0.55 0.00 0.00 41.25 38.93 1tka s ASN 282 CO 0.25 -0.60 1.74 -0.81 -2.79 0.00 0.00 177.10 174.89 1tka n PRO 283 N 4.69 0.20 -0.71 0.43 -0.04 -1.26 -2.66 135.00 135.64 1tka n PRO 283 Ca 0.11 0.29 0.06 0.00 -0.04 0.00 0.00 63.50 63.92 1tka n PRO 283 Cb 0.45 -1.79 0.33 0.00 -0.04 0.00 0.00 33.50 32.45 1tka n PRO 283 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1tka n ASP 284 N -2.14 4.76 -3.84 3.54 8.00 -1.26 -4.62 116.55 120.99 1tka n ASP 284 Ca 0.04 -3.03 -0.22 0.00 0.71 0.00 0.00 54.79 52.29 1tka n ASP 284 Cb 0.32 -0.63 -0.17 0.00 -0.02 0.00 0.00 41.12 40.62 1tka n ASP 284 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1tka s LYS 285 N -2.84 0.83 -0.04 -1.24 1.02 -1.09 -5.13 119.74 111.25 1tka s LYS 285 Ca 0.49 -0.03 -0.03 0.00 0.02 0.00 0.00 55.97 56.43 1tka s LYS 285 Cb 0.39 -1.00 -0.04 0.00 -0.52 0.00 0.00 37.83 36.66 1tka s LYS 285 CO 0.12 -0.21 0.10 -1.12 -0.92 0.00 0.00 175.35 173.33 1tka s SER 286 N 1.50 5.90 -1.12 2.83 0.01 -1.26 -4.65 113.70 116.90 1tka s SER 286 Ca -0.02 0.26 -0.01 0.00 1.31 0.00 0.00 55.95 57.49 1tka s SER 286 Cb -0.13 -1.77 -0.01 0.00 0.21 0.00 0.00 66.02 64.32 1tka s SER 286 CO -0.03 0.32 0.94 0.49 0.41 0.00 0.00 173.24 175.37 1tka n PHE 287 N 1.47 -2.11 -3.54 2.43 3.72 -1.26 -5.01 117.46 113.16 1tka n PHE 287 Ca -0.15 0.88 -0.40 0.00 -0.05 0.00 0.00 57.45 57.74 1tka n PHE 287 Cb 0.53 -4.84 -0.11 0.00 -0.94 0.00 0.00 39.48 34.13 1tka n PHE 287 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1tka s VAL 288 N -3.34 5.28 -0.32 -4.37 1.01 -1.26 -5.05 120.40 112.34 1tka s VAL 288 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 1tka s VAL 288 Cb -0.01 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.78 1tka s VAL 288 CO 0.69 0.08 0.04 -0.69 0.00 0.00 0.00 175.10 175.22 1tka s VAL 289 N 1.77 2.87 -0.19 2.92 1.01 -1.26 -4.95 120.40 122.57 1tka s VAL 289 Ca 0.07 -1.68 -0.41 0.00 0.00 0.00 0.00 61.98 59.96 1tka s VAL 289 Cb -0.17 -2.78 -0.19 0.00 0.00 0.00 0.00 36.38 33.24 1tka s VAL 289 CO 0.11 -0.29 1.22 -2.65 0.00 0.00 0.00 175.10 173.49 1tka n PRO 290 N 4.55 0.00 -0.27 2.72 -0.02 -1.26 -4.87 135.00 135.85 1tka n PRO 290 Ca -0.09 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.49 1tka n PRO 290 Cb 0.43 -1.43 0.35 0.00 -0.02 0.00 0.00 33.50 32.83 1tka n PRO 290 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1tka h GLN 291 N 3.61 0.74 0.00 -0.52 5.75 -2.00 0.25 115.11 122.93 1tka h GLN 291 Ca -0.46 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1tka h GLN 291 Cb 1.34 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 29.72 1tka h GLN 291 CO 0.74 0.49 -0.00 0.93 -2.65 0.00 0.00 178.83 178.34 1tka h GLU 292 N 0.76 0.00 0.06 1.69 3.07 -1.98 0.16 114.58 118.34 1tka h GLU 292 Ca 0.43 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.17 1tka h GLU 292 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1tka h GLU 292 CO -0.20 0.00 -0.59 0.28 -1.40 0.00 0.00 179.01 177.11 1tka h VAL 293 N 0.00 1.51 -0.58 3.13 2.07 -1.31 -0.24 116.25 120.83 1tka h VAL 293 Ca -0.00 -2.40 0.04 0.00 0.82 0.00 0.00 66.70 65.16 1tka h VAL 293 Cb 0.03 3.11 -0.04 0.00 -1.52 0.00 0.00 31.29 32.87 1tka h VAL 293 CO 0.00 0.62 0.33 1.88 0.02 0.00 0.00 177.57 180.42 1tka h TYR 294 N -0.71 0.61 -0.86 1.57 0.05 -0.95 -0.86 116.97 115.82 1tka h TYR 294 Ca -0.13 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.68 1tka h TYR 294 Cb 1.34 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 38.84 1tka h TYR 294 CO 0.21 0.32 0.57 -0.44 -1.05 0.00 0.00 178.16 177.77 1tka h ASP 295 N 0.64 0.98 0.24 3.88 3.32 -0.82 -2.17 116.42 122.50 1tka h ASP 295 Ca 0.24 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1tka h ASP 295 Cb 0.09 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1tka h ASP 295 CO -0.13 0.71 -0.12 -0.74 -1.72 0.00 0.00 179.24 177.24 1tka h HIS 296 N 1.16 -0.30 -0.24 4.55 2.76 0.41 -2.03 115.15 121.45 1tka h HIS 296 Ca 0.31 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.40 1tka h HIS 296 Cb -0.13 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 1tka h HIS 296 CO -0.01 -0.16 -0.20 1.88 -1.30 0.00 0.00 177.93 178.14 1tka h TYR 297 N -0.36 0.48 0.12 5.26 0.05 -1.47 0.31 116.97 121.35 1tka h TYR 297 Ca -0.03 -0.09 0.01 0.00 0.05 0.00 0.00 58.73 58.67 1tka h TYR 297 Cb 0.28 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 1tka h TYR 297 CO -0.05 0.61 -0.20 0.37 -1.05 0.00 0.00 178.16 177.85 1tka h GLN 298 N 0.40 -0.37 -0.34 4.88 5.75 -1.17 -0.62 115.11 123.64 1tka h GLN 298 Ca 0.07 0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 1tka h GLN 298 Cb 0.58 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 1tka h GLN 298 CO 0.04 -0.25 -0.11 -0.22 -2.65 0.00 0.00 178.83 175.64 1tka h LYS 299 N -0.38 0.67 0.00 1.69 3.64 -1.00 0.15 116.57 121.34 1tka h LYS 299 Ca 0.02 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1tka h LYS 299 Cb 0.40 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1tka h LYS 299 CO -0.10 0.85 -0.79 0.25 -2.27 0.00 0.00 179.45 177.39 1tka n THR 300 N -4.39 0.35 0.08 1.00 -2.24 0.11 -4.38 114.28 104.81 1tka n THR 300 Ca -0.02 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1tka n THR 300 Cb 0.36 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1tka n THR 300 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1tka n ILE 301 N -2.17 0.41 -0.02 2.28 5.41 -0.34 -4.78 119.36 120.15 1tka n ILE 301 Ca 0.02 0.14 -0.13 0.00 1.00 0.00 0.00 62.75 63.78 1tka n ILE 301 Cb 0.46 -0.97 -0.11 0.00 -0.71 0.00 0.00 39.64 38.31 1tka n ILE 301 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1tka h LEU 302 N 0.00 -0.02 -0.79 1.39 6.46 -1.09 -2.20 115.31 119.06 1tka h LEU 302 Ca 0.00 -0.63 -0.05 0.00 -0.12 0.00 0.00 57.88 57.09 1tka h LEU 302 Cb 0.11 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.01 1tka h LEU 302 CO 0.00 0.63 0.31 0.11 -0.62 0.00 0.00 178.44 178.87 1tka h LYS 303 N -0.67 1.18 -0.59 1.25 1.57 -0.94 -1.60 116.57 116.77 1tka h LYS 303 Ca -0.00 -0.22 0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1tka h LYS 303 Cb 0.64 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 1tka h LYS 303 CO 0.00 0.96 0.29 -1.35 -0.57 0.00 0.00 179.45 178.79 1tka h PRO 304 N 1.15 0.53 -0.38 3.15 0.11 -1.76 -2.66 132.00 132.13 1tka h PRO 304 Ca 0.26 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.31 1tka h PRO 304 Cb 0.22 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 1tka h PRO 304 CO -0.02 0.35 0.13 0.78 -0.21 0.00 0.00 178.00 179.03 1tka h GLY 305 N 0.55 0.63 1.05 -0.55 0.00 -0.99 0.15 103.07 103.91 1tka h GLY 305 Ca 0.27 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 1tka h GLY 305 CO -0.20 0.35 0.38 -2.08 0.00 0.00 0.00 176.54 174.99 1tka h VAL 306 N 0.47 1.26 -0.56 4.60 2.07 -1.31 -0.98 116.25 121.80 1tka h VAL 306 Ca 0.12 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1tka h VAL 306 Cb 0.24 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1tka h VAL 306 CO -0.01 0.32 0.32 -0.33 0.02 0.00 0.00 177.57 177.90 1tka h GLU 307 N 1.20 0.77 -0.94 1.57 5.08 -0.85 -2.46 114.58 118.96 1tka h GLU 307 Ca 0.28 -0.08 0.11 0.00 -1.00 0.00 0.00 59.36 58.68 1tka h GLU 307 Cb 0.15 -0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.16 1tka h GLU 307 CO -0.03 0.57 0.57 0.00 -1.00 0.00 0.00 179.01 179.12 1tka h ALA 308 N 1.15 1.39 0.00 3.43 0.00 -0.28 -1.49 119.26 123.46 1tka h ALA 308 Ca 0.20 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1tka h ALA 308 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1tka h ALA 308 CO -0.03 0.18 -0.59 -0.97 0.00 0.00 0.00 179.25 177.83 1tka h ASN 309 N 0.92 0.00 0.57 0.00 -0.73 -0.99 -2.01 115.58 113.34 1tka h ASN 309 Ca 0.46 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.60 1tka h ASN 309 Cb 0.44 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.04 1tka h ASN 309 CO -0.26 0.59 -0.27 -1.13 -0.37 0.00 0.00 177.43 175.99 1tka h ASN 310 N 0.00 -0.65 -0.86 1.15 -1.24 -0.90 -1.99 115.58 111.09 1tka h ASN 310 Ca -0.01 0.02 0.14 0.00 0.71 0.00 0.00 56.30 57.16 1tka h ASN 310 Cb 1.23 0.17 -0.07 0.00 0.73 0.00 0.00 38.32 40.38 1tka h ASN 310 CO 0.08 -0.27 0.56 0.11 -1.29 0.00 0.00 177.43 176.62 1tka h LYS 311 N -1.15 0.65 -0.35 6.67 6.56 -1.37 -1.79 116.57 125.80 1tka h LYS 311 Ca -0.08 -0.04 -0.04 0.00 -1.06 0.00 0.00 60.65 59.44 1tka h LYS 311 Cb 0.59 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 1tka h LYS 311 CO 0.13 0.43 0.07 2.35 -2.06 0.00 0.00 179.45 180.38 1tka h TRP 312 N 0.67 0.59 -0.20 -1.35 7.01 -1.32 -2.92 115.95 118.43 1tka h TRP 312 Ca 0.43 -0.08 0.03 0.00 2.11 0.00 0.00 58.89 61.38 1tka h TRP 312 Cb 0.68 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.55 1tka h TRP 312 CO -0.00 0.61 0.01 -0.91 -2.79 0.00 0.00 178.44 175.36 1tka h ASN 313 N 0.41 -0.05 -0.86 2.65 -0.26 -0.55 -1.27 115.58 115.65 1tka h ASN 313 Ca 0.11 0.04 0.16 0.00 -0.56 0.00 0.00 56.30 56.05 1tka h ASN 313 Cb 0.32 0.07 -0.10 0.00 -1.06 0.00 0.00 38.32 37.55 1tka h ASN 313 CO 0.00 0.00 0.42 0.11 -1.06 0.00 0.00 177.43 176.91 1tka h LYS 314 N 0.08 0.55 -0.37 0.81 1.79 -1.41 0.59 116.57 118.62 1tka h LYS 314 Ca 0.09 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.40 1tka h LYS 314 Cb 0.11 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1tka h LYS 314 CO -0.15 0.36 -0.29 1.25 -1.08 0.00 0.00 179.45 179.54 1tka h LEU 315 N 0.57 0.82 -0.61 2.94 5.85 -1.29 -2.12 115.31 121.47 1tka h LEU 315 Ca 0.48 -0.33 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 1tka h LEU 315 Cb 0.75 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1tka h LEU 315 CO -0.40 1.06 -0.55 0.15 -0.34 0.00 0.00 178.44 178.35 1tka h PHE 316 N 0.68 0.52 -0.24 1.25 3.57 0.22 0.73 116.94 123.67 1tka h PHE 316 Ca 0.08 -0.18 -0.14 0.00 3.53 0.00 0.00 57.97 61.25 1tka h PHE 316 Cb 0.83 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1tka h PHE 316 CO 0.04 0.87 -0.45 0.66 -2.23 0.00 0.00 178.31 177.21 1tka h SER 317 N 0.32 0.65 0.15 0.41 4.64 -0.88 -2.28 113.55 116.56 1tka h SER 317 Ca 0.00 -0.31 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1tka h SER 317 Cb 1.07 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1tka h SER 317 CO 0.10 1.00 -0.08 -0.33 -0.87 0.00 0.00 176.83 176.65 1tka h GLU 318 N 0.48 -0.21 -0.80 4.77 4.39 -1.29 -3.09 114.58 118.83 1tka h GLU 318 Ca 0.03 0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.93 1tka h GLU 318 Cb 0.97 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.56 1tka h GLU 318 CO 0.09 -0.14 0.26 -0.92 -1.16 0.00 0.00 179.01 177.13 1tka h TYR 319 N -0.22 0.42 0.00 4.33 5.03 -0.34 0.39 116.97 126.57 1tka h TYR 319 Ca -0.02 0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.29 1tka h TYR 319 Cb 0.18 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.39 1tka h TYR 319 CO -0.08 -0.07 -0.23 1.96 -1.32 0.00 0.00 178.16 178.42 1tka h GLN 320 N 0.32 0.00 -0.05 1.82 4.20 -1.41 0.75 115.11 120.74 1tka h GLN 320 Ca 0.47 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.14 1tka h GLN 320 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1tka h GLN 320 CO -0.52 0.23 -0.11 0.87 -0.67 0.00 0.00 178.83 178.63 1tka h LYS 321 N 0.00 0.17 -0.40 1.46 1.57 -0.18 -3.15 116.57 116.04 1tka h LYS 321 Ca -0.00 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 1tka h LYS 321 Cb 0.55 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1tka h LYS 321 CO 0.03 0.70 -0.08 0.87 -0.57 0.00 0.00 179.45 180.40 1tka h LYS 322 N -0.34 0.75 -2.68 3.15 1.79 -0.62 -3.37 116.57 115.25 1tka h LYS 322 Ca 0.00 -0.28 -0.60 0.00 -2.18 0.00 0.00 60.65 57.59 1tka h LYS 322 Cb 0.70 -0.05 -0.41 0.00 -1.58 0.00 0.00 32.23 30.90 1tka h LYS 322 CO 0.02 0.88 -0.73 1.19 -1.08 0.00 0.00 179.45 179.74 1tka n PHE 323 N -4.36 1.90 -0.05 -1.35 3.72 0.25 -4.99 117.46 112.59 1tka n PHE 323 Ca -0.01 -3.96 -0.09 0.00 -0.05 0.00 0.00 57.45 53.34 1tka n PHE 323 Cb 0.35 -0.35 -0.02 0.00 -0.94 0.00 0.00 39.48 38.51 1tka n PHE 323 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1tka h PRO 324 N 5.18 -0.28 0.09 -1.08 0.11 -1.71 -0.36 132.00 133.94 1tka h PRO 324 Ca 0.18 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 1tka h PRO 324 Cb 0.79 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1tka h PRO 324 CO 0.62 -0.18 -0.04 0.93 -0.21 0.00 0.00 178.00 179.11 1tka h GLU 325 N -0.29 -0.11 -0.55 1.05 3.07 -1.94 0.10 114.58 115.91 1tka h GLU 325 Ca 0.13 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.96 1tka h GLU 325 Cb 0.50 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 1tka h GLU 325 CO -0.41 -0.06 0.19 1.25 -1.40 0.00 0.00 179.01 178.59 1tka h LEU 326 N -0.14 0.79 -0.64 1.33 5.85 -1.95 -1.47 115.31 119.08 1tka h LEU 326 Ca -0.01 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 1tka h LEU 326 Cb 0.11 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1tka h LEU 326 CO 0.02 0.77 0.22 1.23 -0.34 0.00 0.00 178.44 180.34 1tka h GLY 327 N 0.76 1.04 0.90 3.75 0.00 -0.50 -0.66 103.07 108.36 1tka h GLY 327 Ca 0.18 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1tka h GLY 327 CO -0.01 0.56 0.09 0.00 0.00 0.00 0.00 176.54 177.18 1tka h ALA 328 N 1.09 0.36 -0.29 3.60 0.00 -0.56 0.13 119.26 123.58 1tka h ALA 328 Ca 0.21 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1tka h ALA 328 Cb 0.25 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1tka h ALA 328 CO -0.01 -0.01 0.05 1.49 0.00 0.00 0.00 179.25 180.76 1tka h GLU 329 N 0.28 0.14 -0.22 0.00 4.81 -1.17 -0.47 114.58 117.95 1tka h GLU 329 Ca 0.09 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 1tka h GLU 329 Cb 0.23 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1tka h GLU 329 CO -0.00 0.10 -0.39 1.25 -0.73 0.00 0.00 179.01 179.23 1tka h LEU 330 N 0.15 0.73 -1.68 1.64 5.85 -0.85 -1.84 115.31 119.31 1tka h LEU 330 Ca 0.14 -0.53 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 1tka h LEU 330 Cb 0.15 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1tka h LEU 330 CO -0.19 1.12 -0.17 0.00 -0.34 0.00 0.00 178.44 178.86 1tka h ALA 331 N 0.63 1.68 -0.32 1.25 0.00 -0.50 -0.16 119.26 121.84 1tka h ALA 331 Ca 0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1tka h ALA 331 Cb 0.98 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1tka h ALA 331 CO 0.09 0.21 -0.21 -0.09 0.00 0.00 0.00 179.25 179.25 1tka h ARG 332 N 0.00 0.70 -0.66 0.00 2.43 -0.70 0.14 114.38 116.28 1tka h ARG 332 Ca -0.00 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 1tka h ARG 332 Cb 0.31 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1tka h ARG 332 CO 0.02 0.94 0.37 0.00 -1.51 0.00 0.00 179.97 179.78 1tka h ARG 333 N 0.46 0.92 -0.36 0.20 3.08 -0.68 -0.26 114.38 117.75 1tka h ARG 333 Ca 0.06 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 1tka h ARG 333 Cb 0.76 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1tka h ARG 333 CO 0.06 0.69 -0.23 -0.07 -1.07 0.00 0.00 179.97 179.35 1tka h LEU 334 N 0.90 0.71 0.00 3.04 3.38 -0.92 -0.98 115.31 121.44 1tka h LEU 334 Ca 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1tka h LEU 334 Cb 0.03 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1tka h LEU 334 CO -0.04 0.92 0.00 -1.54 0.09 0.00 0.00 178.44 177.87 1tka n SER 335 N -4.11 0.00 -0.15 -0.43 3.41 0.46 -4.87 113.62 107.92 1tka n SER 335 Ca 0.00 -0.24 -0.02 0.00 -0.26 0.00 0.00 58.87 58.35 1tka n SER 335 Cb 0.42 -0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.15 1tka n SER 335 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tka n GLY 336 N 0.78 0.53 3.78 5.00 0.00 -0.39 -5.02 105.19 109.87 1tka n GLY 336 Ca 0.14 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 1tka n GLY 336 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tka s GLN 337 N -1.25 4.51 0.50 1.61 1.11 -0.24 -4.98 119.66 120.91 1tka s GLN 337 Ca 0.00 1.09 -0.18 0.00 0.01 0.00 0.00 55.36 56.28 1tka s GLN 337 Cb 0.00 -3.25 -0.08 0.00 -1.01 0.00 0.00 33.01 28.67 1tka s GLN 337 CO 0.00 0.58 1.00 -0.51 0.01 0.00 0.00 175.29 176.37 1tka s LEU 338 N -1.16 3.71 0.32 2.90 1.02 -1.26 -4.46 118.68 119.76 1tka s LEU 338 Ca 0.35 1.69 -0.28 0.00 0.02 0.00 0.00 54.13 55.91 1tka s LEU 338 Cb -0.22 -4.53 -0.13 0.00 0.02 0.00 0.00 46.19 41.33 1tka s LEU 338 CO 0.25 -0.65 1.16 -2.65 0.02 0.00 0.00 176.35 174.48 1tka n PRO 339 N -1.33 1.76 -1.67 1.29 -0.02 -1.26 -4.89 135.00 128.88 1tka n PRO 339 Ca 0.07 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.74 1tka n PRO 339 Cb 0.54 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 1tka n PRO 339 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tka n ALA 340 N 0.25 1.65 -3.05 3.55 0.00 -1.26 -1.37 120.51 120.28 1tka n ALA 340 Ca 0.07 0.26 -0.22 0.00 0.00 0.00 0.00 53.44 53.55 1tka n ALA 340 Cb 0.34 -2.62 0.02 0.00 0.00 0.00 0.00 19.45 17.20 1tka n ALA 340 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1tka n ASN 341 N 6.72 -5.55 -0.04 0.00 3.02 -1.26 -4.84 115.26 113.31 1tka n ASN 341 Ca 0.20 -0.28 0.06 0.00 -0.03 0.00 0.00 54.58 54.52 1tka n ASN 341 Cb 0.38 -4.51 0.43 0.00 -0.61 0.00 0.00 39.78 35.46 1tka n ASN 341 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 1tka h TRP 342 N -1.21 0.53 -0.95 3.10 5.08 -1.58 -1.77 115.95 119.15 1tka h TRP 342 Ca -0.50 0.01 0.26 0.00 1.08 0.00 0.00 58.89 59.74 1tka h TRP 342 Cb 1.35 -0.18 -0.05 0.00 -3.00 0.00 0.00 29.16 27.28 1tka h TRP 342 CO 0.57 0.31 0.66 1.05 -1.28 0.00 0.00 178.44 179.75 1tka h GLU 343 N 0.55 0.14 0.00 0.12 9.09 -1.88 -1.89 114.58 120.71 1tka h GLU 343 Ca 0.19 -0.01 -0.00 0.00 0.05 0.00 0.00 59.36 59.59 1tka h GLU 343 Cb 0.08 -0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 27.15 1tka h GLU 343 CO -0.05 0.09 -0.00 0.66 0.05 0.00 0.00 179.01 179.76 1tka h SER 344 N 0.14 0.00 0.33 3.06 4.64 -1.71 -0.80 113.55 119.22 1tka h SER 344 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1tka h SER 344 Cb 1.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 1tka h SER 344 CO -0.08 0.00 0.00 1.17 -0.87 0.00 0.00 176.83 177.05 1tka n LYS 345 N -3.34 0.62 -2.66 4.77 4.81 -0.71 -4.86 118.16 116.79 1tka n LYS 345 Ca -0.03 0.01 -0.41 0.00 -0.87 0.00 0.00 58.31 57.01 1tka n LYS 345 Cb 0.09 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.59 1tka n LYS 345 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1tka s LEU 346 N -2.35 4.55 0.12 3.14 1.43 -0.31 -4.83 118.68 120.42 1tka s LEU 346 Ca 0.34 1.95 -0.31 0.00 -1.03 0.00 0.00 54.13 55.09 1tka s LEU 346 Cb 0.20 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.74 1tka s LEU 346 CO 0.40 -0.04 1.35 -2.84 0.23 0.00 0.00 176.35 175.45 1tka s PRO 347 N -0.58 4.35 0.19 1.29 0.02 -1.26 -5.05 135.00 133.95 1tka s PRO 347 Ca 0.45 2.02 0.09 0.00 0.02 0.00 0.00 61.00 63.59 1tka s PRO 347 Cb -0.26 -3.26 -0.04 0.00 0.02 0.00 0.00 34.50 30.96 1tka s PRO 347 CO 0.33 -0.38 -0.13 0.95 -0.33 0.00 0.00 177.00 177.43 1tka s THR 348 N 0.97 2.99 0.15 0.99 -4.23 -1.26 -4.57 115.64 110.67 1tka s THR 348 Ca 0.63 -1.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 1tka s THR 348 Cb -0.36 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 70.97 1tka s THR 348 CO 0.31 -0.12 0.01 -0.31 -0.54 0.00 0.00 174.62 173.97 1tka s TYR 349 N -1.71 1.03 0.36 3.99 1.51 -1.26 -4.99 117.35 116.28 1tka s TYR 349 Ca 0.24 -1.08 0.04 0.00 -1.01 0.00 0.00 57.07 55.26 1tka s TYR 349 Cb -0.08 -0.59 -0.05 0.00 -0.11 0.00 0.00 41.96 41.12 1tka s TYR 349 CO 0.14 -0.31 0.07 0.95 -1.11 0.00 0.00 175.55 175.28 1tka s THR 350 N -3.79 1.10 -2.00 -0.71 -4.23 -1.26 -4.92 115.64 99.83 1tka s THR 350 Ca 0.22 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.92 1tka s THR 350 Cb 0.07 -2.66 0.55 0.00 1.34 0.00 0.00 72.50 71.79 1tka s THR 350 CO 0.02 0.00 1.59 0.00 -0.54 0.00 0.00 174.62 175.69 1tka n ALA 351 N -0.80 2.37 0.15 3.99 0.00 -1.26 -1.74 120.51 123.22 1tka n ALA 351 Ca -0.04 -0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.36 1tka n ALA 351 Cb 0.66 -1.31 0.07 0.00 0.00 0.00 0.00 19.45 18.87 1tka n ALA 351 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1tka h LYS 352 N 0.00 0.00 -7.35 0.00 1.57 -1.96 -3.46 116.57 105.37 1tka h LYS 352 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1tka h LYS 352 Cb 0.00 0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.44 1tka h LYS 352 CO 0.00 0.14 0.30 -0.51 -0.57 0.00 0.00 179.45 178.81 1tka s ASP 353 N -5.99 4.23 0.47 0.86 1.01 -0.71 -5.00 116.67 111.54 1tka s ASP 353 Ca 0.03 1.53 -0.01 0.00 0.71 0.00 0.00 52.55 54.81 1tka s ASP 353 Cb 0.07 -2.26 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 1tka s ASP 353 CO 0.73 -2.17 0.71 -0.94 0.21 0.00 0.00 175.17 173.72 1tka s SER 354 N -3.59 5.86 0.13 0.27 1.04 -1.26 -4.52 113.70 111.63 1tka s SER 354 Ca 0.61 0.42 -0.31 0.00 0.48 0.00 0.00 55.95 57.15 1tka s SER 354 Cb -0.16 -1.66 -0.09 0.00 0.10 0.00 0.00 66.02 64.21 1tka s SER 354 CO 0.56 -0.72 1.55 0.00 0.98 0.00 0.00 173.24 175.61 1tka s ALA 355 N -2.62 3.72 -0.01 5.32 0.00 -1.26 -4.45 121.76 122.46 1tka s ALA 355 Ca 0.49 1.27 -0.02 0.00 0.00 0.00 0.00 51.96 53.70 1tka s ALA 355 Cb -0.10 -3.62 -0.00 0.00 0.00 0.00 0.00 23.12 19.39 1tka s ALA 355 CO 0.39 -0.84 0.05 0.08 0.00 0.00 0.00 175.76 175.45 1tka s VAL 356 N 1.55 0.03 0.43 0.00 1.01 -0.11 -4.81 120.40 118.50 1tka s VAL 356 Ca 0.70 -0.29 -0.24 0.00 0.00 0.00 0.00 61.98 62.15 1tka s VAL 356 Cb -0.41 -0.17 -0.08 0.00 0.00 0.00 0.00 36.38 35.72 1tka s VAL 356 CO 0.31 -0.16 1.19 0.00 0.00 0.00 0.00 175.10 176.45 1tka s ALA 357 N -0.47 3.09 -0.26 5.51 0.00 -1.24 -1.42 121.76 126.98 1tka s ALA 357 Ca -0.05 1.01 0.25 0.00 0.00 0.00 0.00 51.96 53.16 1tka s ALA 357 Cb -0.03 -3.40 1.17 0.00 0.00 0.00 0.00 23.12 20.85 1tka s ALA 357 CO 0.00 -0.64 1.74 1.79 0.00 0.00 0.00 175.76 178.65 1tka h THR 358 N 2.16 0.00 -0.73 0.00 1.35 -1.75 -1.87 112.91 112.07 1tka h THR 358 Ca -0.49 -0.14 -0.02 0.00 -0.55 0.00 0.00 66.41 65.21 1tka h THR 358 Cb 1.24 0.79 -0.03 0.00 -1.73 0.00 0.00 68.15 68.42 1tka h THR 358 CO 0.61 0.00 0.38 -0.09 -0.25 0.00 0.00 175.52 176.18 1tka h ARG 359 N 0.00 1.03 -0.11 4.72 2.43 -1.84 -1.84 114.38 118.77 1tka h ARG 359 Ca 0.00 -0.12 -0.24 0.00 -0.81 0.00 0.00 59.98 58.81 1tka h ARG 359 Cb 0.20 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1tka h ARG 359 CO 0.00 0.77 -0.86 -0.22 -1.51 0.00 0.00 179.97 178.15 1tka h LYS 360 N 1.03 0.78 -0.46 0.20 1.63 -1.64 -3.07 116.57 115.03 1tka h LYS 360 Ca 0.26 -0.69 0.02 0.00 -0.85 0.00 0.00 60.65 59.39 1tka h LYS 360 Cb 0.06 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 1tka h LYS 360 CO -0.04 1.28 0.31 -0.07 -3.45 0.00 0.00 179.45 177.48 1tka h LEU 361 N 0.50 0.49 -0.10 5.20 3.38 -1.52 -1.01 115.31 122.24 1tka h LEU 361 Ca -0.08 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1tka h LEU 361 Cb 1.50 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1tka h LEU 361 CO 0.17 0.35 0.01 -1.28 0.09 0.00 0.00 178.44 177.79 1tka h SER 362 N 0.57 -0.01 -0.86 -0.43 0.87 -1.24 -2.60 113.55 109.86 1tka h SER 362 Ca 0.18 0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.83 1tka h SER 362 Cb 0.02 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 61.94 1tka h SER 362 CO -0.04 0.01 0.52 -0.08 -0.53 0.00 0.00 176.83 176.71 1tka h GLU 363 N 0.06 0.89 -0.28 2.24 4.81 -1.13 -0.21 114.58 120.96 1tka h GLU 363 Ca 0.05 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1tka h GLU 363 Cb 0.04 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1tka h GLU 363 CO -0.07 0.59 -0.11 1.15 -0.73 0.00 0.00 179.01 179.85 1tka h THR 364 N 0.92 1.22 -0.00 0.32 2.02 -1.20 0.27 112.91 116.47 1tka h THR 364 Ca 0.39 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 1tka h THR 364 Cb 0.25 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1tka h THR 364 CO -0.20 0.32 0.00 0.58 0.37 0.00 0.00 175.52 176.58 1tka h VAL 365 N 0.44 1.22 -0.33 3.16 2.07 -0.68 -0.16 116.25 121.97 1tka h VAL 365 Ca 0.08 -0.66 0.07 0.00 0.82 0.00 0.00 66.70 67.02 1tka h VAL 365 Cb 0.46 1.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.83 1tka h VAL 365 CO 0.03 0.17 -0.14 -0.07 0.02 0.00 0.00 177.57 177.57 1tka h LEU 366 N -0.28 -0.49 -1.33 2.57 3.38 -1.17 0.40 115.31 118.40 1tka h LEU 366 Ca 0.00 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.17 1tka h LEU 366 Cb 0.28 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1tka h LEU 366 CO 0.00 -0.18 0.51 -0.08 0.09 0.00 0.00 178.44 178.78 1tka h GLU 367 N -0.08 0.75 -0.12 1.13 4.57 -0.46 -2.13 114.58 118.24 1tka h GLU 367 Ca 0.17 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1tka h GLU 367 Cb 0.34 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1tka h GLU 367 CO -0.39 0.50 0.00 -0.25 -1.18 0.00 0.00 179.01 177.69 1tka n ASP 368 N -4.50 2.38 0.00 1.04 8.00 0.11 -4.52 116.55 119.07 1tka n ASP 368 Ca 0.12 -1.79 0.00 0.00 0.71 0.00 0.00 54.79 53.83 1tka n ASP 368 Cb 0.28 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1tka n ASP 368 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1tka n VAL 369 N 0.83 0.00 -0.27 2.53 0.24 0.52 -4.80 118.33 117.37 1tka n VAL 369 Ca 0.17 -0.17 -0.02 0.00 -2.04 0.00 0.00 64.34 62.29 1tka n VAL 369 Cb 0.48 1.28 0.10 0.00 -1.47 0.00 0.00 33.84 34.23 1tka n VAL 369 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 1tka h TYR 370 N 0.00 0.88 0.00 6.34 -0.00 -1.62 -0.23 116.97 122.34 1tka h TYR 370 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.76 1tka h TYR 370 Cb 0.14 -0.29 0.00 0.00 -0.00 0.00 0.00 36.73 36.58 1tka h TYR 370 CO 0.00 0.48 0.00 -1.71 -0.00 0.00 0.00 178.16 176.93 1tka n ASN 371 N -4.65 0.12 0.14 0.10 4.05 -1.26 -1.70 115.26 112.06 1tka n ASN 371 Ca 0.10 0.52 -0.24 0.00 0.45 0.00 0.00 54.58 55.41 1tka n ASN 371 Cb 0.13 -0.55 -0.16 0.00 1.23 0.00 0.00 39.78 40.43 1tka n ASN 371 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 177.26 173.60 1tka h GLN 372 N 0.00 0.50 -3.24 1.20 5.75 -1.39 -3.41 115.11 114.53 1tka h GLN 372 Ca 0.00 -0.86 -0.65 0.00 -0.15 0.00 0.00 58.65 56.98 1tka h GLN 372 Cb 0.40 0.32 -0.39 0.00 1.07 0.00 0.00 27.48 28.88 1tka h GLN 372 CO 0.00 1.41 -0.43 -0.51 -2.65 0.00 0.00 178.83 176.65 1tka s LEU 373 N -7.52 5.00 0.28 -2.39 1.43 -0.69 -4.86 118.68 109.92 1tka s LEU 373 Ca -0.09 -3.61 0.18 0.00 -1.03 0.00 0.00 54.13 49.59 1tka s LEU 373 Cb 0.04 -1.73 0.99 0.00 0.03 0.00 0.00 46.19 45.52 1tka s LEU 373 CO 0.94 -0.16 1.55 -0.81 0.23 0.00 0.00 176.35 178.09 1tka n PRO 374 N 2.37 0.12 0.00 1.29 -0.04 -1.24 -1.14 135.00 136.36 1tka n PRO 374 Ca 0.17 0.61 0.14 0.00 -0.04 0.00 0.00 63.50 64.38 1tka n PRO 374 Cb 0.35 -1.92 0.56 0.00 -0.04 0.00 0.00 33.50 32.45 1tka n PRO 374 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1tka n GLU 375 N -2.14 0.12 -2.66 0.54 0.00 -1.26 -4.84 120.64 110.39 1tka n GLU 375 Ca -0.01 -0.02 -0.43 0.00 0.00 0.00 0.00 57.16 56.69 1tka n GLU 375 Cb 0.06 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 29.98 1tka n GLU 375 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1tka s LEU 376 N -2.90 4.04 -0.05 -1.84 2.96 -0.29 -1.74 118.68 118.86 1tka s LEU 376 Ca 0.16 1.25 0.03 0.00 -0.22 0.00 0.00 54.13 55.35 1tka s LEU 376 Cb 0.19 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.36 1tka s LEU 376 CO 0.55 -0.74 -0.12 -0.51 -1.32 0.00 0.00 176.35 174.20 1tka s ILE 377 N 3.35 1.11 0.35 6.68 2.07 -1.06 -4.92 121.20 128.77 1tka s ILE 377 Ca 0.44 -0.50 0.03 0.00 -1.41 0.00 0.00 60.65 59.21 1tka s ILE 377 Cb -0.14 -0.99 -0.04 0.00 0.13 0.00 0.00 42.46 41.42 1tka s ILE 377 CO 0.09 0.34 0.10 -0.83 -1.91 0.00 0.00 174.94 172.73 1tka s GLY 378 N 0.38 2.23 0.04 1.50 0.00 -0.17 -2.12 107.32 109.19 1tka s GLY 378 Ca -0.09 -1.69 -0.28 0.00 0.00 0.00 0.00 44.72 42.67 1tka s GLY 378 CO 0.02 -1.77 1.20 -0.32 0.00 0.00 0.00 173.10 172.23 1tka s GLY 379 N -3.50 -0.20 0.09 0.20 0.00 -0.43 -0.34 107.32 103.14 1tka s GLY 379 Ca 0.32 0.22 0.04 0.00 0.00 0.00 0.00 44.72 45.29 1tka s GLY 379 CO 0.15 2.30 -0.11 -0.45 0.00 0.00 0.00 173.10 174.99 1tka s SER 380 N -3.32 1.49 -1.15 1.64 0.15 -1.02 -0.67 113.70 110.82 1tka s SER 380 Ca 0.20 -0.76 -0.10 0.00 0.70 0.00 0.00 55.95 56.00 1tka s SER 380 Cb 0.01 -0.01 0.25 0.00 -1.71 0.00 0.00 66.02 64.56 1tka s SER 380 CO -0.00 -0.22 1.31 0.00 1.20 0.00 0.00 173.24 175.53 1tka n ALA 381 N 0.75 4.36 -2.23 5.45 0.00 -0.61 -1.48 120.51 126.75 1tka n ALA 381 Ca -0.17 -4.55 -0.21 0.00 0.00 0.00 0.00 53.44 48.51 1tka n ALA 381 Cb 0.57 -2.64 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 1tka n ALA 381 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1tka n ASP 382 N 3.34 -5.81 -0.62 0.00 2.03 -1.18 -4.65 116.55 109.66 1tka n ASP 382 Ca 0.29 0.10 0.04 0.00 0.52 0.00 0.00 54.79 55.74 1tka n ASP 382 Cb 0.39 -4.90 0.07 0.00 -0.72 0.00 0.00 41.12 35.96 1tka n ASP 382 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1tka n LEU 383 N -2.88 1.25 -0.30 -2.67 4.77 -1.26 -4.90 117.00 111.01 1tka n LEU 383 Ca -0.24 -2.21 0.07 0.00 -0.03 0.00 0.00 56.01 53.60 1tka n LEU 383 Cb 0.69 -0.19 0.17 0.00 -2.33 0.00 0.00 43.42 41.76 1tka n LEU 383 CO 0.29 0.60 0.77 0.74 -1.33 0.00 0.00 177.39 178.46 1tka h THR 384 N 4.25 0.18 0.00 -5.08 2.02 -1.89 0.45 112.91 112.84 1tka h THR 384 Ca -0.05 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 1tka h THR 384 Cb 1.34 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1tka h THR 384 CO 0.02 0.01 -0.25 1.55 0.37 0.00 0.00 175.52 177.22 1tka h PRO 385 N 0.04 0.00 0.00 6.66 0.13 -1.98 0.11 132.00 136.96 1tka h PRO 385 Ca 0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.44 1tka h PRO 385 Cb 0.82 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.92 1tka h PRO 385 CO -0.81 0.25 -1.46 0.43 -0.23 0.00 0.00 178.00 176.17 1tka n SER 386 N -3.63 0.77 -0.03 1.44 7.64 0.12 -4.19 113.62 115.73 1tka n SER 386 Ca -0.01 0.33 -0.05 0.00 1.01 0.00 0.00 58.87 60.15 1tka n SER 386 Cb 0.37 0.33 -0.13 0.00 -1.01 0.00 0.00 64.21 63.77 1tka n SER 386 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1tka n ASN 387 N -2.83 0.51 -2.99 6.43 5.03 0.11 -4.95 115.26 116.58 1tka n ASN 387 Ca -0.10 0.23 -0.14 0.00 0.87 0.00 0.00 54.58 55.45 1tka n ASN 387 Cb 0.81 0.53 0.07 0.00 -1.02 0.00 0.00 39.78 40.17 1tka n ASN 387 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1tka n LEU 388 N -2.84 -3.71 0.01 3.41 4.77 0.37 -4.85 117.00 114.16 1tka n LEU 388 Ca -0.19 -0.51 0.12 0.00 -0.03 0.00 0.00 56.01 55.40 1tka n LEU 388 Cb 0.99 -2.66 0.27 0.00 -2.33 0.00 0.00 43.42 39.69 1tka n LEU 388 CO 0.44 0.30 0.48 0.35 -1.33 0.00 0.00 177.39 177.63 1tka n THR 389 N -3.54 0.04 -3.25 -5.08 -2.24 -1.22 -4.32 114.28 94.67 1tka n THR 389 Ca -0.23 -0.03 -0.38 0.00 -2.27 0.00 0.00 64.05 61.13 1tka n THR 389 Cb 0.64 0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.96 1tka n THR 389 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1tka s ARG 390 N -3.02 4.34 0.58 -0.78 1.81 -1.26 -4.80 118.95 115.81 1tka s ARG 390 Ca 0.11 0.53 -0.09 0.00 -1.72 0.00 0.00 55.73 54.55 1tka s ARG 390 Cb 0.17 -3.45 -0.04 0.00 -0.45 0.00 0.00 34.95 31.18 1tka s ARG 390 CO 0.69 0.10 0.96 1.67 -0.68 0.00 0.00 175.30 178.04 1tka s TRP 391 N 0.78 3.61 0.15 -0.53 -2.14 -1.26 -4.95 118.94 114.59 1tka s TRP 391 Ca 0.28 1.15 -0.11 0.00 2.66 0.00 0.00 56.10 60.09 1tka s TRP 391 Cb -0.16 -2.60 -0.02 0.00 -3.10 0.00 0.00 33.47 27.60 1tka s TRP 391 CO 0.12 -0.56 1.51 0.87 -2.66 0.00 0.00 176.95 176.23 1tka h LYS 392 N -0.12 0.97 -1.37 3.25 1.79 -1.96 -3.14 116.57 116.00 1tka h LYS 392 Ca -0.45 -0.47 -0.13 0.00 -2.18 0.00 0.00 60.65 57.42 1tka h LYS 392 Cb 1.19 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.77 1tka h LYS 392 CO 0.62 1.13 0.17 -1.91 -1.08 0.00 0.00 179.45 178.38 1tka n GLU 393 N -4.09 1.32 -3.43 3.15 2.13 -1.26 -4.93 120.64 113.53 1tka n GLU 393 Ca -0.01 -0.69 -0.30 0.00 0.66 0.00 0.00 57.16 56.81 1tka n GLU 393 Cb 0.51 -1.27 -0.04 0.00 0.27 0.00 0.00 31.44 30.90 1tka n GLU 393 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1tka s ALA 394 N -0.78 3.64 -0.03 4.31 0.00 -1.19 -5.10 121.76 122.60 1tka s ALA 394 Ca 0.13 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 51.70 1tka s ALA 394 Cb 0.11 -2.31 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 1tka s ALA 394 CO 0.01 0.42 -0.22 -1.17 0.00 0.00 0.00 175.76 174.80 1tka s LEU 395 N -3.12 2.30 0.19 0.00 2.96 -1.26 -5.06 118.68 114.69 1tka s LEU 395 Ca 0.45 -0.37 -0.24 0.00 -0.22 0.00 0.00 54.13 53.74 1tka s LEU 395 Cb -0.11 -1.42 -0.08 0.00 0.50 0.00 0.00 46.19 45.08 1tka s LEU 395 CO 0.26 0.33 0.78 -1.81 -1.32 0.00 0.00 176.35 174.58 1tka s ASP 396 N -0.63 7.32 -0.45 3.68 1.01 -1.26 -2.46 116.67 123.88 1tka s ASP 396 Ca 0.10 1.61 -0.28 0.00 0.71 0.00 0.00 52.55 54.69 1tka s ASP 396 Cb -0.10 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1tka s ASP 396 CO -0.00 0.16 1.53 0.12 0.21 0.00 0.00 175.17 177.18 1tka s PHE 397 N -1.26 2.18 0.22 4.23 5.36 -0.15 -1.93 117.98 126.63 1tka s PHE 397 Ca 0.38 0.62 -0.10 0.00 -0.96 0.00 0.00 56.93 56.87 1tka s PHE 397 Cb -0.21 -4.28 -0.01 0.00 -0.34 0.00 0.00 43.02 38.18 1tka s PHE 397 CO 0.25 -2.21 0.38 -0.65 -1.46 0.00 0.00 175.22 171.54 1tka s GLN 398 N 5.42 1.41 0.36 10.12 -1.52 -0.96 -4.72 119.66 129.76 1tka s GLN 398 Ca 0.63 -1.29 -0.28 0.00 -1.95 0.00 0.00 55.36 52.47 1tka s GLN 398 Cb -0.15 0.42 -0.10 0.00 -0.22 0.00 0.00 33.01 32.96 1tka s GLN 398 CO 0.30 -0.56 1.36 -2.14 -0.25 0.00 0.00 175.29 174.00 1tka s PRO 399 N -4.03 4.21 0.60 2.91 0.02 -1.26 -0.60 135.00 136.85 1tka s PRO 399 Ca 0.24 2.31 0.30 0.00 0.02 0.00 0.00 61.00 63.87 1tka s PRO 399 Cb 0.01 -2.99 1.81 0.00 0.02 0.00 0.00 34.50 33.36 1tka s PRO 399 CO 0.07 -0.35 2.22 -1.00 -0.33 0.00 0.00 177.00 177.62 1tka h PRO 400 N 3.14 0.00 -0.01 5.54 0.13 -1.93 0.53 132.00 139.40 1tka h PRO 400 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1tka h PRO 400 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1tka h PRO 400 CO 0.64 0.00 0.01 0.77 -0.23 0.00 0.00 178.00 179.19 1tka h SER 401 N 0.00 0.00 -0.48 1.44 0.02 -1.93 -3.20 113.55 109.41 1tka h SER 401 Ca 0.02 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.88 1tka h SER 401 Cb 0.14 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1tka h SER 401 CO -0.00 0.00 -0.09 0.77 -1.14 0.00 0.00 176.83 176.37 1tka h SER 402 N 0.00 0.90 0.00 3.07 4.64 -1.14 -3.47 113.55 117.55 1tka h SER 402 Ca 0.00 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1tka h SER 402 Cb 0.02 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 1tka h SER 402 CO -0.00 1.04 0.00 0.61 -0.87 0.00 0.00 176.83 177.61 1tka n GLY 403 N -0.25 1.35 0.02 -0.77 0.00 -1.21 -4.83 105.19 99.50 1tka n GLY 403 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1tka n GLY 403 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1tka n SER 404 N 0.00 0.34 0.00 1.61 7.64 -1.26 -5.07 113.62 116.88 1tka n SER 404 Ca 0.00 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1tka n SER 404 Cb 0.00 1.55 0.00 0.00 -1.01 0.00 0.00 64.21 64.75 1tka n SER 404 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tka n GLY 405 N 1.32 -0.68 3.84 0.23 0.00 -1.26 -4.13 105.19 104.51 1tka n GLY 405 Ca -0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.47 1tka n GLY 405 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tka s ASN 406 N -4.00 -0.22 0.00 1.61 2.20 -0.81 -4.05 114.94 109.67 1tka s ASN 406 Ca 0.00 -0.63 0.13 0.00 -0.94 0.00 0.00 52.86 51.42 1tka s ASN 406 Cb 0.00 0.70 0.80 0.00 -2.00 0.00 0.00 41.25 40.75 1tka s ASN 406 CO 0.00 -1.31 1.22 -1.22 -2.94 0.00 0.00 177.10 172.85 1tka n TYR 407 N -0.47 0.00 0.50 1.54 4.01 0.23 -1.18 117.16 121.78 1tka n TYR 407 Ca -0.05 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.82 1tka n TYR 407 Cb 0.59 0.00 0.24 0.00 -0.31 0.00 0.00 39.34 39.86 1tka n TYR 407 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1tka h SER 408 N 0.00 0.00 -4.04 7.72 4.64 -1.86 -3.34 113.55 116.68 1tka h SER 408 Ca 0.00 -0.09 -0.53 0.00 -0.47 0.00 0.00 61.79 60.70 1tka h SER 408 Cb 0.00 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.19 1tka h SER 408 CO 0.00 0.04 0.54 -0.83 -0.87 0.00 0.00 176.83 175.71 1tka s GLY 409 N -3.78 2.82 -0.11 -0.77 0.00 -0.32 -4.94 107.32 100.22 1tka s GLY 409 Ca 0.07 1.12 0.14 0.00 0.00 0.00 0.00 44.72 46.06 1tka s GLY 409 CO 0.68 1.60 1.30 0.54 0.00 0.00 0.00 173.10 177.21 1tka n ARG 410 N -0.89 2.65 -3.89 2.90 1.74 -1.03 -4.07 116.66 114.07 1tka n ARG 410 Ca 0.10 -2.49 -0.27 0.00 -0.77 0.00 0.00 57.85 54.42 1tka n ARG 410 Cb 0.47 -1.57 -0.17 0.00 -1.02 0.00 0.00 32.46 30.17 1tka n ARG 410 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1tka s TYR 411 N -2.23 1.51 -0.02 -1.55 5.04 -1.13 -1.00 117.35 117.97 1tka s TYR 411 Ca 0.32 -0.83 -0.02 0.00 -2.44 0.00 0.00 57.07 54.10 1tka s TYR 411 Cb 0.25 -1.23 -0.04 0.00 0.35 0.00 0.00 41.96 41.28 1tka s TYR 411 CO 0.09 -0.54 0.10 0.42 -1.34 0.00 0.00 175.55 174.28 1tka s ILE 412 N 1.70 4.93 -0.39 3.14 1.01 0.54 -0.98 121.20 131.15 1tka s ILE 412 Ca 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 1tka s ILE 412 Cb -0.14 -3.24 0.10 0.00 0.01 0.00 0.00 42.46 39.20 1tka s ILE 412 CO -0.08 0.39 0.17 -0.13 0.00 0.00 0.00 174.94 175.29 1tka s ARG 413 N -1.64 2.01 0.36 2.79 0.52 -1.26 -2.45 118.95 119.28 1tka s ARG 413 Ca 0.22 -1.76 0.26 0.00 -0.52 0.00 0.00 55.73 53.93 1tka s ARG 413 Cb -0.12 -3.51 0.71 0.00 0.52 0.00 0.00 34.95 32.54 1tka s ARG 413 CO 0.13 -1.01 1.73 1.88 0.02 0.00 0.00 175.30 178.05 1tka h TYR 414 N 8.01 0.00 0.00 -0.53 0.05 -1.65 -3.49 116.97 119.37 1tka h TYR 414 Ca -0.13 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.65 1tka h TYR 414 Cb 1.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.79 1tka h TYR 414 CO 0.55 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 178.07 1tka n GLY 415 N 0.91 -2.36 3.45 3.88 0.00 -1.26 -4.32 105.19 105.49 1tka n GLY 415 Ca 0.04 -1.69 -0.44 0.00 0.00 0.00 0.00 46.02 43.93 1tka n GLY 415 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1tka n ILE 416 N -0.24 4.28 -3.11 -0.61 -0.00 -1.26 -3.09 119.36 115.33 1tka n ILE 416 Ca 0.00 -4.77 -0.19 0.00 -0.00 0.00 0.00 62.75 57.79 1tka n ILE 416 Cb 0.00 -2.47 -0.03 0.00 -0.00 0.00 0.00 39.64 37.14 1tka n ILE 416 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1tka n ARG 417 N 5.42 0.87 -0.16 0.38 1.74 -1.26 -5.06 116.66 118.59 1tka n ARG 417 Ca 0.36 -3.05 -0.08 0.00 -0.77 0.00 0.00 57.85 54.31 1tka n ARG 417 Cb 0.42 -1.44 0.01 0.00 -1.02 0.00 0.00 32.46 30.43 1tka n ARG 417 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1tka h GLU 418 N 3.44 0.65 -0.12 5.56 3.07 -1.92 -2.36 114.58 122.90 1tka h GLU 418 Ca 0.05 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1tka h GLU 418 Cb 0.95 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1tka h GLU 418 CO 0.44 0.50 -0.03 1.25 -1.40 0.00 0.00 179.01 179.78 1tka h HIS 419 N 0.61 0.25 -0.52 4.33 2.76 -1.88 -2.28 115.15 118.42 1tka h HIS 419 Ca 0.16 -0.05 0.10 0.00 -2.20 0.00 0.00 60.37 58.38 1tka h HIS 419 Cb 0.04 -0.06 -0.08 0.00 1.55 0.00 0.00 27.41 28.86 1tka h HIS 419 CO -0.02 0.52 0.05 0.00 -1.30 0.00 0.00 177.93 177.18 1tka h ALA 420 N 0.70 0.55 -0.73 5.26 0.00 -1.83 -1.22 119.26 121.98 1tka h ALA 420 Ca 0.03 0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.21 1tka h ALA 420 Cb 0.44 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 1tka h ALA 420 CO 0.01 -0.35 0.28 1.98 0.00 0.00 0.00 179.25 181.17 1tka h MET 421 N 0.17 0.42 -0.36 0.00 -1.53 -1.25 0.93 114.93 113.32 1tka h MET 421 Ca 0.27 -0.03 0.08 0.00 -3.44 0.00 0.00 59.70 56.58 1tka h MET 421 Cb 0.40 -0.09 -0.08 0.00 -0.55 0.00 0.00 31.60 31.27 1tka h MET 421 CO -0.40 0.28 -0.17 0.78 0.14 0.00 0.00 176.91 177.54 1tka h GLY 422 N 0.43 0.11 1.77 1.39 0.00 -0.64 -0.70 103.07 105.44 1tka h GLY 422 Ca 0.40 0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.89 1tka h GLY 422 CO -0.39 -0.18 -0.45 0.00 0.00 0.00 0.00 176.54 175.52 1tka h ALA 423 N 1.16 0.78 0.03 3.60 0.00 -1.07 -2.14 119.26 121.63 1tka h ALA 423 Ca 0.18 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1tka h ALA 423 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1tka h ALA 423 CO -0.43 0.31 -0.01 0.82 0.00 0.00 0.00 179.25 179.94 1tka h ILE 424 N 0.00 1.41 -0.47 0.00 2.04 -0.54 -1.15 117.51 118.80 1tka h ILE 424 Ca -0.02 -1.61 0.09 0.00 1.00 0.00 0.00 64.86 64.32 1tka h ILE 424 Cb 1.19 2.45 -0.03 0.00 -0.74 0.00 0.00 36.82 39.69 1tka h ILE 424 CO 0.03 0.40 0.32 0.24 0.00 0.00 0.00 178.15 179.14 1tka h MET 425 N -0.78 0.23 -0.10 2.37 2.86 -1.20 0.23 114.93 118.55 1tka h MET 425 Ca -0.00 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.50 1tka h MET 425 Cb 0.68 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1tka h MET 425 CO 0.01 0.15 -0.48 -0.91 1.06 0.00 0.00 176.91 176.74 1tka h ASN 426 N 0.24 0.27 0.48 1.22 2.35 -1.26 -1.63 115.58 117.25 1tka h ASN 426 Ca 0.22 -0.13 -0.27 0.00 -0.55 0.00 0.00 56.30 55.57 1tka h ASN 426 Cb 0.55 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.85 1tka h ASN 426 CO -0.04 0.71 -1.18 1.23 -1.65 0.00 0.00 177.43 176.49 1tka h GLY 427 N 1.31 0.41 0.93 2.83 0.00 0.63 -1.62 103.07 107.55 1tka h GLY 427 Ca 0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 47.33 46.39 1tka h GLY 427 CO 0.07 0.81 0.12 -2.22 0.00 0.00 0.00 176.54 175.32 1tka h ILE 428 N 0.14 1.22 0.41 2.60 2.04 -0.76 -2.33 117.51 120.83 1tka h ILE 428 Ca -0.13 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1tka h ILE 428 Cb 1.88 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 1tka h ILE 428 CO 0.20 0.25 -0.37 -1.28 0.00 0.00 0.00 178.15 176.95 1tka h SER 429 N 0.48 -1.00 0.00 1.72 0.87 -1.38 -2.63 113.55 111.60 1tka h SER 429 Ca 0.12 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1tka h SER 429 Cb 0.27 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1tka h SER 429 CO -0.00 -0.53 0.15 0.00 -0.53 0.00 0.00 176.83 175.92 1tka n ALA 430 N -2.66 0.80 0.09 6.23 0.00 -0.61 -2.70 120.51 121.66 1tka n ALA 430 Ca -0.10 0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1tka n ALA 430 Cb 0.38 -0.94 0.18 0.00 0.00 0.00 0.00 19.45 19.07 1tka n ALA 430 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1tka h PHE 431 N 0.00 0.27 0.00 0.00 3.57 -1.03 -3.49 116.94 116.26 1tka h PHE 431 Ca 0.00 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1tka h PHE 431 Cb 0.30 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1tka h PHE 431 CO 0.00 0.68 0.00 0.41 -2.23 0.00 0.00 178.31 177.17 1tka n GLY 432 N 0.02 0.61 4.15 2.40 0.00 -1.10 -4.93 105.19 106.34 1tka n GLY 432 Ca -0.02 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 1tka n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tka n ALA 433 N 0.13 -1.17 -2.52 4.61 0.00 -1.26 -1.48 120.51 118.81 1tka n ALA 433 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 1tka n ALA 433 Cb 0.00 -2.22 -0.00 0.00 0.00 0.00 0.00 19.45 17.23 1tka n ALA 433 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1tka n ASN 434 N -2.30 -2.64 -4.66 0.00 5.15 -1.09 -4.74 115.26 104.98 1tka n ASN 434 Ca 0.09 0.29 -0.47 0.00 -0.60 0.00 0.00 54.58 53.89 1tka n ASN 434 Cb 0.46 -2.31 -0.04 0.00 -0.53 0.00 0.00 39.78 37.36 1tka n ASN 434 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1tka n TYR 435 N -3.04 2.20 -3.79 1.20 4.01 -0.55 -4.86 117.16 112.33 1tka n TYR 435 Ca -0.08 0.30 -0.32 0.00 -0.16 0.00 0.00 57.90 57.64 1tka n TYR 435 Cb 0.56 -2.52 -0.10 0.00 -0.31 0.00 0.00 39.34 36.97 1tka n TYR 435 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1tka s LYS 436 N 0.97 2.75 0.35 -0.72 -0.14 -0.71 -4.64 119.74 117.60 1tka s LYS 436 Ca 0.80 -3.18 -0.26 0.00 -1.36 0.00 0.00 55.97 51.97 1tka s LYS 436 Cb -0.71 -3.65 -0.09 0.00 -1.68 0.00 0.00 37.83 31.69 1tka s LYS 436 CO 0.39 -1.25 1.02 -1.25 -0.76 0.00 0.00 175.35 173.50 1tka s PRO 437 N -1.18 4.41 -0.00 -1.68 0.04 -1.26 -2.57 135.00 132.76 1tka s PRO 437 Ca 0.24 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.78 1tka s PRO 437 Cb -0.09 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1tka s PRO 437 CO -0.12 0.08 -0.02 1.52 0.04 0.00 0.00 177.00 178.51 1tka s TYR 438 N -1.55 0.17 -0.05 0.56 -0.85 -0.90 -2.83 117.35 111.90 1tka s TYR 438 Ca 0.52 -0.03 0.04 0.00 -0.52 0.00 0.00 57.07 57.09 1tka s TYR 438 Cb -0.23 -0.13 0.00 0.00 0.38 0.00 0.00 41.96 41.99 1tka s TYR 438 CO 0.29 -0.01 -0.17 0.20 -1.52 0.00 0.00 175.55 174.34 1tka s GLY 439 N 0.04 0.93 -0.04 5.49 0.00 0.14 -1.32 107.32 112.56 1tka s GLY 439 Ca -0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 44.72 44.05 1tka s GLY 439 CO -0.00 -0.25 0.05 -0.32 0.00 0.00 0.00 173.10 172.58 1tka s GLY 440 N 0.20 1.96 0.23 0.20 0.00 0.16 -0.89 107.32 109.18 1tka s GLY 440 Ca -0.08 -0.83 -0.13 0.00 0.00 0.00 0.00 44.72 43.68 1tka s GLY 440 CO 0.03 -0.65 0.66 -0.37 0.00 0.00 0.00 173.10 172.77 1tka n THR 441 N 1.62 0.00 -2.97 0.90 5.66 -0.95 -1.57 114.28 116.97 1tka n THR 441 Ca -0.16 -0.61 -0.40 0.00 -3.05 0.00 0.00 64.05 59.83 1tka n THR 441 Cb 0.53 0.67 -0.05 0.00 -1.55 0.00 0.00 70.33 69.93 1tka n THR 441 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1tka s PHE 442 N -3.59 3.82 0.30 1.09 0.08 -1.26 -1.67 117.98 116.75 1tka s PHE 442 Ca 0.14 1.57 0.06 0.00 0.12 0.00 0.00 56.93 58.82 1tka s PHE 442 Cb -0.03 -2.81 0.80 0.00 -0.57 0.00 0.00 43.02 40.41 1tka s PHE 442 CO 0.07 0.38 1.68 1.25 -0.10 0.00 0.00 175.22 178.51 1tka h LEU 443 N 5.03 0.33 -2.27 -0.37 5.85 -1.24 -0.89 115.31 121.75 1tka h LEU 443 Ca -0.45 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.44 1tka h LEU 443 Cb 1.21 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 1tka h LEU 443 CO 0.69 -0.05 0.03 -1.13 -0.34 0.00 0.00 178.44 177.64 1tka h ASN 444 N 0.36 0.00 -0.58 1.25 -1.24 -1.85 -2.93 115.58 110.59 1tka h ASN 444 Ca 0.60 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.61 1tka h ASN 444 Cb 1.20 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.25 1tka h ASN 444 CO -0.56 0.00 0.00 0.49 -1.29 0.00 0.00 177.43 176.07 1tka n PHE 445 N -4.10 0.84 0.23 0.67 3.72 -0.35 -3.18 117.46 115.29 1tka n PHE 445 Ca -0.02 -0.52 0.10 0.00 -0.05 0.00 0.00 57.45 56.96 1tka n PHE 445 Cb 0.12 -0.04 0.54 0.00 -0.94 0.00 0.00 39.48 39.16 1tka n PHE 445 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1tka h VAL 446 N 3.41 0.67 0.00 -4.37 2.07 -1.41 -1.45 116.25 115.17 1tka h VAL 446 Ca 0.00 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 1tka h VAL 446 Cb 0.95 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1tka h VAL 446 CO 0.03 0.21 -0.12 0.28 0.02 0.00 0.00 177.57 177.99 1tka h SER 447 N 0.00 0.00 0.76 0.57 0.02 -1.72 -0.95 113.55 112.23 1tka h SER 447 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1tka h SER 447 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1tka h SER 447 CO 0.03 0.12 0.00 1.88 -1.14 0.00 0.00 176.83 177.71 1tka h TYR 448 N 0.00 0.00 -0.07 3.45 -1.99 -1.48 -3.17 116.97 113.72 1tka h TYR 448 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1tka h TYR 448 Cb 0.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.10 1tka h TYR 448 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1tka n ALA 449 N -1.81 2.14 -0.33 3.88 0.00 -0.38 -4.11 120.51 119.90 1tka n ALA 449 Ca 0.02 -0.92 0.22 0.00 0.00 0.00 0.00 53.44 52.75 1tka n ALA 449 Cb 0.24 -0.10 0.48 0.00 0.00 0.00 0.00 19.45 20.06 1tka n ALA 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tka h ALA 450 N 0.50 2.13 -0.48 0.00 0.00 -1.49 0.25 119.26 120.16 1tka h ALA 450 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1tka h ALA 450 Cb 0.46 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1tka h ALA 450 CO 0.00 -0.56 0.32 0.78 0.00 0.00 0.00 179.25 179.79 1tka h GLY 451 N 0.44 0.65 0.09 0.00 0.00 -1.89 -1.36 103.07 100.99 1tka h GLY 451 Ca 0.62 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.71 1tka h GLY 451 CO -0.35 0.22 -0.00 0.00 0.00 0.00 0.00 176.54 176.41 1tka h ALA 452 N 1.71 -0.01 -0.93 3.60 0.00 -1.30 -3.32 119.26 119.01 1tka h ALA 452 Ca 0.18 -0.43 0.11 0.00 0.00 0.00 0.00 54.91 54.77 1tka h ALA 452 Cb -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1tka h ALA 452 CO -0.04 -0.05 0.60 0.28 0.00 0.00 0.00 179.25 180.04 1tka h VAL 453 N -0.92 0.93 -0.79 0.00 2.07 -1.02 -1.13 116.25 115.39 1tka h VAL 453 Ca -0.00 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1tka h VAL 453 Cb 0.87 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1tka h VAL 453 CO 0.00 0.16 0.52 -0.09 0.02 0.00 0.00 177.57 178.19 1tka h ARG 454 N 0.89 0.99 0.00 1.57 2.43 -1.39 -2.53 114.38 116.35 1tka h ARG 454 Ca 0.45 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1tka h ARG 454 Cb 0.49 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1tka h ARG 454 CO -0.21 0.66 0.00 -0.07 -1.51 0.00 0.00 179.97 178.84 1tka h LEU 455 N 1.02 0.00 -0.35 3.80 3.38 -1.31 -2.15 115.31 119.70 1tka h LEU 455 Ca 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 1tka h LEU 455 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1tka h LEU 455 CO -0.08 0.00 0.08 0.28 0.09 0.00 0.00 178.44 178.81 1tka h SER 456 N 0.00 0.54 0.20 -0.43 0.02 -1.22 -0.63 113.55 112.04 1tka h SER 456 Ca 0.00 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 1tka h SER 456 Cb 0.89 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1tka h SER 456 CO 0.00 0.64 -0.10 0.00 -1.14 0.00 0.00 176.83 176.23 1tka h ALA 457 N 0.92 -0.27 0.52 3.77 0.00 -1.46 0.12 119.26 122.86 1tka h ALA 457 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1tka h ALA 457 Cb 0.31 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1tka h ALA 457 CO 0.00 -0.56 -0.25 1.25 0.00 0.00 0.00 179.25 179.69 1tka h LEU 458 N -0.45 -0.59 -1.03 0.00 6.46 -1.35 -2.82 115.31 115.53 1tka h LEU 458 Ca -0.03 -0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.62 1tka h LEU 458 Cb 0.35 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1tka h LEU 458 CO 0.05 -0.37 -0.44 0.28 -0.62 0.00 0.00 178.44 177.34 1tka h SER 459 N -0.78 0.10 -0.75 1.25 0.02 -1.26 -3.48 113.55 108.66 1tka h SER 459 Ca -0.07 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1tka h SER 459 Cb 0.57 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1tka h SER 459 CO 0.12 0.53 0.00 0.61 -1.14 0.00 0.00 176.83 176.95 1tka n GLY 460 N -0.21 0.84 3.62 -3.77 0.00 -0.12 -4.82 105.19 100.74 1tka n GLY 460 Ca -0.02 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 1tka n GLY 460 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tka s HIS 461 N -2.48 3.27 -1.09 1.61 3.76 0.24 -4.34 115.29 116.25 1tka s HIS 461 Ca 0.00 0.81 -0.08 0.00 -0.15 0.00 0.00 55.06 55.64 1tka s HIS 461 Cb 0.00 -2.90 -0.10 0.00 1.11 0.00 0.00 32.58 30.69 1tka s HIS 461 CO 0.00 -0.37 3.05 -0.35 -0.85 0.00 0.00 174.74 176.22 1tka n PRO 462 N 5.79 3.31 -2.80 8.40 -0.04 -1.26 -3.46 135.00 144.93 1tka n PRO 462 Ca 0.00 -2.07 -0.31 0.00 -0.04 0.00 0.00 63.50 61.08 1tka n PRO 462 Cb 0.49 -2.53 -0.04 0.00 -0.04 0.00 0.00 33.50 31.38 1tka n PRO 462 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1tka s VAL 463 N 1.15 4.70 -0.16 0.52 -7.23 -1.26 -4.78 120.40 113.34 1tka s VAL 463 Ca 0.66 0.83 0.00 0.00 -1.81 0.00 0.00 61.98 61.66 1tka s VAL 463 Cb 0.23 -3.70 -0.00 0.00 0.56 0.00 0.00 36.38 33.46 1tka s VAL 463 CO -0.06 -0.49 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.45 1tka s ILE 464 N -2.35 2.61 -0.22 -0.62 1.01 -1.13 -1.03 121.20 119.46 1tka s ILE 464 Ca 0.54 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 1tka s ILE 464 Cb -0.10 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 1tka s ILE 464 CO 0.28 0.52 0.03 0.26 0.00 0.00 0.00 174.94 176.03 1tka s TRP 465 N 0.85 3.07 -0.64 3.97 0.52 -0.33 -0.68 118.94 125.68 1tka s TRP 465 Ca -0.05 -0.44 -0.18 0.00 0.02 0.00 0.00 56.10 55.45 1tka s TRP 465 Cb -0.15 -2.15 0.12 0.00 -1.15 0.00 0.00 33.47 30.14 1tka s TRP 465 CO -0.01 -0.29 0.73 0.08 0.02 0.00 0.00 176.95 177.48 1tka s VAL 466 N 1.24 4.95 -0.67 4.03 1.01 -0.06 -0.76 120.40 130.13 1tka s VAL 466 Ca 0.04 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 60.61 1tka s VAL 466 Cb -0.15 -4.50 0.17 0.00 0.00 0.00 0.00 36.38 31.91 1tka s VAL 466 CO 0.02 -1.12 0.59 0.00 0.00 0.00 0.00 175.10 174.59 1tka s ALA 467 N 2.27 3.81 0.81 5.51 0.00 -0.04 -2.25 121.76 131.86 1tka s ALA 467 Ca 0.13 -2.99 -0.10 0.00 0.00 0.00 0.00 51.96 49.00 1tka s ALA 467 Cb -0.21 -3.25 0.11 0.00 0.00 0.00 0.00 23.12 19.77 1tka s ALA 467 CO 0.03 -2.13 1.15 0.95 0.00 0.00 0.00 175.76 175.75 1tka s THR 468 N 0.70 2.11 -1.11 0.00 -4.23 -0.67 -0.52 115.64 111.92 1tka s THR 468 Ca 0.12 -0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.46 1tka s THR 468 Cb -0.19 -2.95 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 1tka s THR 468 CO -0.04 0.00 0.93 1.41 -0.54 0.00 0.00 174.62 176.39 1tka n HIS 469 N -3.26 -2.15 0.26 3.99 8.25 0.42 -0.96 115.22 121.76 1tka n HIS 469 Ca 0.11 0.88 0.03 0.00 -0.26 0.00 0.00 57.72 58.47 1tka n HIS 469 Cb 0.60 -4.73 0.14 0.00 1.12 0.00 0.00 29.99 27.12 1tka n HIS 469 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1tka n ASP 470 N -3.06 0.00 -1.05 0.41 5.75 -1.07 -4.46 116.55 113.08 1tka n ASP 470 Ca -0.22 0.22 -0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1tka n ASP 470 Cb 0.65 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1tka n ASP 470 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1tka n SER 471 N -1.29 -0.04 0.06 -1.12 3.41 -1.26 -4.54 113.62 108.82 1tka n SER 471 Ca 0.03 -1.03 0.04 0.00 -0.26 0.00 0.00 58.87 57.65 1tka n SER 471 Cb 0.04 0.07 0.20 0.00 -0.26 0.00 0.00 64.21 64.27 1tka n SER 471 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1tka n ILE 472 N -0.02 1.57 0.12 -1.33 -5.35 -1.26 -1.64 119.36 111.45 1tka n ILE 472 Ca -0.00 0.59 0.20 0.00 -0.27 0.00 0.00 62.75 63.26 1tka n ILE 472 Cb 0.01 -1.59 0.75 0.00 -1.74 0.00 0.00 39.64 37.08 1tka n ILE 472 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1tka h GLY 473 N 0.00 0.00 0.42 3.28 0.00 -1.94 -1.16 103.07 103.67 1tka h GLY 473 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 1tka h GLY 473 CO 0.00 0.00 0.63 -2.08 0.00 0.00 0.00 176.54 175.09 1tka h VAL 474 N 0.00 0.88 0.00 4.60 2.07 -1.64 -3.43 116.25 118.72 1tka h VAL 474 Ca 0.17 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1tka h VAL 474 Cb 1.03 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1tka h VAL 474 CO -0.00 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.37 1tka n GLY 475 N -1.35 2.17 0.44 2.17 0.00 -0.44 -4.27 105.19 103.90 1tka n GLY 475 Ca 0.20 -0.40 0.23 0.00 0.00 0.00 0.00 46.02 46.05 1tka n GLY 475 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1tka h GLU 476 N 0.00 0.00 0.00 1.61 3.07 -1.37 0.15 114.58 118.03 1tka h GLU 476 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1tka h GLU 476 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1tka h GLU 476 CO 0.00 0.00 -0.05 -0.44 -1.40 0.00 0.00 179.01 177.12 1tka h ASP 477 N 0.00 0.00 -0.85 1.42 3.32 -1.88 -3.41 116.42 115.01 1tka h ASP 477 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1tka h ASP 477 Cb 1.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.35 1tka h ASP 477 CO -0.00 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.17 1tka n GLY 478 N -0.05 -0.72 0.28 2.75 0.00 0.51 -4.52 105.19 103.44 1tka n GLY 478 Ca 0.00 -1.12 0.17 0.00 0.00 0.00 0.00 46.02 45.07 1tka n GLY 478 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tka h PRO 479 N 0.00 0.00 0.00 1.61 0.13 -1.81 -2.31 132.00 129.62 1tka h PRO 479 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1tka h PRO 479 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1tka h PRO 479 CO 0.00 0.05 0.00 1.79 -0.23 0.00 0.00 178.00 179.61 1tka h THR 480 N 0.00 0.00 0.00 1.56 1.35 -1.98 -3.17 112.91 110.67 1tka h THR 480 Ca -0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1tka h THR 480 Cb 0.38 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1tka h THR 480 CO 0.01 0.00 -0.03 1.41 -0.25 0.00 0.00 175.52 176.66 1tka n HIS 481 N -2.35 0.00 -4.06 4.73 8.25 -0.88 -5.01 115.22 115.90 1tka n HIS 481 Ca 0.02 -0.52 -0.31 0.00 -0.26 0.00 0.00 57.72 56.64 1tka n HIS 481 Cb 0.24 -0.07 -0.16 0.00 1.12 0.00 0.00 29.99 31.12 1tka n HIS 481 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1tka s GLN 482 N -1.25 2.54 0.37 -0.41 -0.21 -1.15 -4.81 119.66 114.74 1tka s GLN 482 Ca 0.08 -0.77 -0.27 0.00 0.02 0.00 0.00 55.36 54.42 1tka s GLN 482 Cb 0.07 -2.40 -0.09 0.00 1.00 0.00 0.00 33.01 31.58 1tka s GLN 482 CO 0.01 -0.28 1.28 -2.14 -2.12 0.00 0.00 175.29 172.04 1tka s PRO 483 N 1.37 4.15 0.00 2.91 0.02 -1.26 -4.80 135.00 137.39 1tka s PRO 483 Ca 0.03 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.18 1tka s PRO 483 Cb -0.14 -2.88 0.00 0.00 0.02 0.00 0.00 34.50 31.50 1tka s PRO 483 CO -0.11 -0.33 0.00 -0.89 -0.33 0.00 0.00 177.00 175.34 1tka n ILE 484 N 0.41 0.00 0.97 2.83 2.08 -1.26 -4.68 119.36 119.71 1tka n ILE 484 Ca 0.02 0.00 0.08 0.00 0.56 0.00 0.00 62.75 63.42 1tka n ILE 484 Cb 0.43 -0.32 0.47 0.00 -0.75 0.00 0.00 39.64 39.48 1tka n ILE 484 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1tka n GLU 485 N -1.30 0.43 -0.02 0.38 0.00 -1.26 -2.55 120.64 116.33 1tka n GLU 485 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 57.16 57.09 1tka n GLU 485 Cb 0.00 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 29.87 1tka n GLU 485 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1tka h THR 486 N 0.00 1.18 -0.20 3.84 2.02 -1.95 -1.57 112.91 116.22 1tka h THR 486 Ca 0.00 -0.53 -0.10 0.00 0.77 0.00 0.00 66.41 66.54 1tka h THR 486 Cb 0.05 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1tka h THR 486 CO 0.00 0.15 -0.28 -0.07 0.37 0.00 0.00 175.52 175.70 1tka h LEU 487 N -0.05 0.59 -0.83 2.58 3.38 -1.97 -2.38 115.31 116.64 1tka h LEU 487 Ca 0.03 -0.51 0.18 0.00 0.09 0.00 0.00 57.88 57.67 1tka h LEU 487 Cb 0.22 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 40.68 1tka h LEU 487 CO -0.00 0.99 0.32 0.00 0.09 0.00 0.00 178.44 179.83 1tka h ALA 488 N 0.62 1.22 0.78 1.53 0.00 -1.84 0.23 119.26 121.80 1tka h ALA 488 Ca 0.02 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1tka h ALA 488 Cb 0.85 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.80 1tka h ALA 488 CO 0.06 -0.30 -0.37 1.25 0.00 0.00 0.00 179.25 179.89 1tka h HIS 489 N 0.39 -0.97 0.00 0.00 -0.00 -1.09 -2.94 115.15 110.53 1tka h HIS 489 Ca 0.49 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.81 1tka h HIS 489 Cb 0.86 0.32 -0.00 0.00 -0.00 0.00 0.00 27.41 28.59 1tka h HIS 489 CO -0.18 -0.60 -0.11 0.74 -0.00 0.00 0.00 177.93 177.78 1tka h PHE 490 N -1.08 0.00 0.00 5.26 0.04 -0.90 0.17 116.94 120.43 1tka h PHE 490 Ca -0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1tka h PHE 490 Cb 0.80 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.95 1tka h PHE 490 CO 0.04 0.11 0.00 0.00 -0.60 0.00 0.00 178.31 177.86 1tka h ARG 491 N 0.00 0.00 -0.01 1.51 3.08 -0.62 -2.31 114.38 116.03 1tka h ARG 491 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1tka h ARG 491 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1tka h ARG 491 CO 0.01 0.00 -0.12 0.43 -1.07 0.00 0.00 179.97 179.22 1tka n SER 492 N -3.00 1.23 -4.63 7.04 7.64 0.58 -4.84 113.62 117.64 1tka n SER 492 Ca 0.01 -1.18 -0.39 0.00 1.01 0.00 0.00 58.87 58.32 1tka n SER 492 Cb 0.29 0.06 -0.08 0.00 -1.01 0.00 0.00 64.21 63.47 1tka n SER 492 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1tka s LEU 493 N -2.25 4.08 0.24 -3.43 2.96 -0.87 -5.05 118.68 114.37 1tka s LEU 493 Ca 0.31 0.37 -0.31 0.00 -0.22 0.00 0.00 54.13 54.29 1tka s LEU 493 Cb 0.20 -2.45 -0.14 0.00 0.50 0.00 0.00 46.19 44.30 1tka s LEU 493 CO 0.43 -0.14 1.30 -2.65 -1.32 0.00 0.00 176.35 173.97 1tka n PRO 494 N 4.97 1.80 -2.73 0.98 -0.02 -1.26 -4.07 135.00 134.67 1tka n PRO 494 Ca -0.08 0.64 -0.08 0.00 -2.02 0.00 0.00 63.50 61.95 1tka n PRO 494 Cb 0.51 -2.22 0.04 0.00 -0.02 0.00 0.00 33.50 31.80 1tka n PRO 494 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1tka n ASN 495 N 1.86 -5.55 -3.68 2.55 5.15 -1.26 -4.68 115.26 109.66 1tka n ASN 495 Ca 0.11 -0.41 -0.11 0.00 -0.60 0.00 0.00 54.58 53.58 1tka n ASN 495 Cb 0.31 -3.95 -0.09 0.00 -0.53 0.00 0.00 39.78 35.51 1tka n ASN 495 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1tka s ILE 496 N -3.22 -0.01 0.20 -1.44 2.07 -1.26 -4.16 121.20 113.38 1tka s ILE 496 Ca 0.26 0.03 -0.30 0.00 -1.41 0.00 0.00 60.65 59.23 1tka s ILE 496 Cb -0.03 -0.77 -0.08 0.00 0.13 0.00 0.00 42.46 41.71 1tka s ILE 496 CO 0.54 0.01 1.04 -1.10 -1.91 0.00 0.00 174.94 173.52 1tka s GLN 497 N 1.08 4.68 -0.54 3.50 -0.21 -0.54 -4.80 119.66 122.83 1tka s GLN 497 Ca -0.06 1.64 0.04 0.00 0.02 0.00 0.00 55.36 56.99 1tka s GLN 497 Cb -0.06 -3.28 0.15 0.00 1.00 0.00 0.00 33.01 30.82 1tka s GLN 497 CO -0.10 0.22 0.34 0.08 -2.12 0.00 0.00 175.29 173.70 1tka s VAL 498 N -0.56 2.01 -0.11 1.09 1.01 -1.26 -1.09 120.40 121.48 1tka s VAL 498 Ca 0.46 -3.28 -0.21 0.00 0.00 0.00 0.00 61.98 58.95 1tka s VAL 498 Cb -0.28 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1tka s VAL 498 CO 0.34 -0.95 0.62 0.26 0.00 0.00 0.00 175.10 175.38 1tka s TRP 499 N -0.39 3.51 -0.63 5.22 0.52 -0.27 -4.36 118.94 122.53 1tka s TRP 499 Ca 0.22 1.07 0.05 0.00 0.02 0.00 0.00 56.10 57.46 1tka s TRP 499 Cb -0.15 -2.73 0.19 0.00 -1.15 0.00 0.00 33.47 29.63 1tka s TRP 499 CO -0.08 0.05 0.54 -2.13 0.02 0.00 0.00 176.95 175.35 1tka n ARG 500 N 4.05 1.71 -1.90 4.98 0.63 0.52 -1.08 116.66 125.57 1tka n ARG 500 Ca -0.03 -4.28 -0.40 0.00 -0.92 0.00 0.00 57.85 52.22 1tka n ARG 500 Cb 0.51 -2.13 0.00 0.00 0.45 0.00 0.00 32.46 31.29 1tka n ARG 500 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1tka s PRO 501 N -1.49 3.90 -0.10 -0.14 0.04 -1.26 -1.72 135.00 134.23 1tka s PRO 501 Ca 0.30 2.35 0.03 0.00 0.04 0.00 0.00 61.00 63.72 1tka s PRO 501 Cb 0.03 -2.77 -0.24 0.00 0.04 0.00 0.00 34.50 31.55 1tka s PRO 501 CO -0.13 -0.62 0.44 0.00 0.04 0.00 0.00 177.00 176.73 1tka n ALA 502 N 0.10 1.19 -3.94 8.56 0.00 -1.26 -4.49 120.51 120.66 1tka n ALA 502 Ca 0.04 -0.73 -0.12 0.00 0.00 0.00 0.00 53.44 52.63 1tka n ALA 502 Cb 0.42 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 1tka n ALA 502 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1tka n ASP 503 N -3.26 -1.29 -0.14 0.00 5.75 -1.26 -4.84 116.55 111.51 1tka n ASP 503 Ca -0.27 -2.73 -0.04 0.00 -0.01 0.00 0.00 54.79 51.74 1tka n ASP 503 Cb 1.05 2.39 0.02 0.00 -1.03 0.00 0.00 41.12 43.56 1tka n ASP 503 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1tka h GLY 504 N 1.82 0.20 2.00 6.12 0.00 -1.95 0.13 103.07 111.39 1tka h GLY 504 Ca -0.25 0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 1tka h GLY 504 CO 0.34 -0.20 -0.33 3.43 0.00 0.00 0.00 176.54 179.78 1tka h ASN 505 N -0.08 0.00 1.07 0.19 2.35 -1.90 -1.55 115.58 115.66 1tka h ASN 505 Ca 0.22 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.89 1tka h ASN 505 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1tka h ASN 505 CO -0.51 0.33 -0.37 -0.33 -1.65 0.00 0.00 177.43 174.91 1tka h GLU 506 N 0.00 0.00 -0.06 0.81 5.08 -1.08 -2.86 114.58 116.47 1tka h GLU 506 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1tka h GLU 506 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1tka h GLU 506 CO 0.04 0.37 -0.33 0.28 -1.00 0.00 0.00 179.01 178.38 1tka h VAL 507 N 0.00 1.44 0.00 3.13 2.07 -0.21 -2.77 116.25 119.90 1tka h VAL 507 Ca -0.00 -1.77 -0.00 0.00 0.82 0.00 0.00 66.70 65.74 1tka h VAL 507 Cb 1.01 2.39 -0.00 0.00 -1.52 0.00 0.00 31.29 33.16 1tka h VAL 507 CO 0.05 0.51 -0.02 0.28 0.02 0.00 0.00 177.57 178.41 1tka h SER 508 N -0.19 0.00 0.71 0.57 0.02 -1.41 0.19 113.55 113.44 1tka h SER 508 Ca -0.03 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.66 1tka h SER 508 Cb 0.99 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.53 1tka h SER 508 CO 0.07 0.02 -1.19 0.00 -1.14 0.00 0.00 176.83 174.59 1tka h ALA 509 N 1.98 0.15 0.34 3.77 0.00 -1.55 -1.22 119.26 122.73 1tka h ALA 509 Ca -0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 54.91 54.00 1tka h ALA 509 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1tka h ALA 509 CO 0.00 1.03 -0.16 0.00 0.00 0.00 0.00 179.25 180.12 1tka h ALA 510 N 0.67 -0.46 -0.60 0.00 0.00 -1.05 -1.39 119.26 116.44 1tka h ALA 510 Ca -0.11 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1tka h ALA 510 Cb 1.93 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.86 1tka h ALA 510 CO 0.19 -0.71 0.39 1.88 0.00 0.00 0.00 179.25 181.00 1tka h TYR 511 N -0.56 0.74 -0.28 0.00 0.05 -1.04 -1.26 116.97 114.62 1tka h TYR 511 Ca -0.05 0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.81 1tka h TYR 511 Cb 0.41 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 37.85 1tka h TYR 511 CO -0.03 0.46 -0.08 -0.22 -1.05 0.00 0.00 178.16 177.25 1tka h LYS 512 N 0.80 -0.01 -0.18 4.88 3.64 -1.10 -1.88 116.57 122.71 1tka h LYS 512 Ca 0.22 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 1tka h LYS 512 Cb -0.08 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1tka h LYS 512 CO -0.06 -0.01 -0.24 -0.91 -2.27 0.00 0.00 179.45 175.96 1tka h ASN 513 N -0.01 0.53 -0.55 4.20 4.21 -1.19 -1.61 115.58 121.15 1tka h ASN 513 Ca 0.14 -0.51 0.11 0.00 1.21 0.00 0.00 56.30 57.25 1tka h ASN 513 Cb 0.22 -0.15 -0.10 0.00 -1.12 0.00 0.00 38.32 37.17 1tka h ASN 513 CO -0.30 0.93 -0.06 0.28 -1.29 0.00 0.00 177.43 177.00 1tka h SER 514 N 0.13 -0.35 0.59 5.81 0.02 -1.02 -2.45 113.55 116.28 1tka h SER 514 Ca 0.02 0.15 -0.21 0.00 -0.84 0.00 0.00 61.79 60.91 1tka h SER 514 Cb 0.81 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 1tka h SER 514 CO 0.06 -0.13 -0.93 -0.07 -1.14 0.00 0.00 176.83 174.61 1tka h LEU 515 N 0.07 0.28 -1.04 5.07 3.38 -1.35 -3.21 115.31 118.51 1tka h LEU 515 Ca 0.28 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1tka h LEU 515 Cb 0.43 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1tka h LEU 515 CO -0.51 1.07 0.00 -0.33 0.09 0.00 0.00 178.44 178.76 1tka h GLU 516 N 0.11 0.00 -6.70 1.13 5.08 -1.03 -3.45 114.58 109.71 1tka h GLU 516 Ca -0.06 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.78 1tka h GLU 516 Cb 1.58 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.90 1tka h GLU 516 CO 0.14 0.00 0.98 0.45 -1.00 0.00 0.00 179.01 179.58 1tka n SER 517 N -2.79 3.99 -0.01 1.42 2.88 -0.95 -4.96 113.62 113.21 1tka n SER 517 Ca 0.02 1.09 0.09 0.00 -1.33 0.00 0.00 58.87 58.73 1tka n SER 517 Cb 0.31 -1.59 -0.13 0.00 -0.75 0.00 0.00 64.21 62.05 1tka n SER 517 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1tka n LYS 518 N 3.43 0.61 0.00 -1.46 4.01 -1.26 -4.78 118.16 118.70 1tka n LYS 518 Ca 0.14 -0.14 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1tka n LYS 518 Cb 0.36 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.48 1tka n LYS 518 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1tka n HIS 519 N -2.04 0.00 -3.97 2.13 8.25 -1.26 -4.51 115.22 113.82 1tka n HIS 519 Ca -0.03 -0.04 -0.28 0.00 -0.26 0.00 0.00 57.72 57.12 1tka n HIS 519 Cb 0.43 -0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.37 1tka n HIS 519 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1tka s THR 520 N -0.07 1.24 1.41 1.59 2.01 -1.26 -4.29 115.64 116.26 1tka s THR 520 Ca 0.00 -0.43 -0.21 0.00 0.31 0.00 0.00 61.69 61.36 1tka s THR 520 Cb 0.00 -1.21 0.36 0.00 0.01 0.00 0.00 72.50 71.66 1tka s THR 520 CO 0.00 0.40 0.91 -0.81 -0.69 0.00 0.00 174.62 174.43 1tka n PRO 521 N 4.84 -4.29 -3.69 4.92 -0.04 -1.22 -4.48 135.00 131.03 1tka n PRO 521 Ca -0.14 -1.26 -0.14 0.00 -0.04 0.00 0.00 63.50 61.91 1tka n PRO 521 Cb 0.50 -1.98 -0.09 0.00 -0.04 0.00 0.00 33.50 31.89 1tka n PRO 521 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1tka s SER 522 N -2.88 -0.51 -0.13 3.54 0.15 -0.20 -1.47 113.70 112.20 1tka s SER 522 Ca 0.68 0.91 0.03 0.00 0.70 0.00 0.00 55.95 58.27 1tka s SER 522 Cb -0.16 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 1tka s SER 522 CO 0.59 -0.23 -0.21 -0.63 1.20 0.00 0.00 173.24 173.96 1tka s ILE 523 N 0.02 2.24 -0.32 6.45 1.01 -0.25 -1.19 121.20 129.17 1tka s ILE 523 Ca -0.02 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.63 1tka s ILE 523 Cb -0.03 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.57 1tka s ILE 523 CO 0.02 0.55 0.09 -0.63 0.00 0.00 0.00 174.94 174.96 1tka s ILE 524 N 0.59 3.84 -0.30 2.92 1.01 0.06 -1.12 121.20 128.20 1tka s ILE 524 Ca -0.12 -0.94 -0.17 0.00 0.00 0.00 0.00 60.65 59.42 1tka s ILE 524 Cb -0.16 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 1tka s ILE 524 CO 0.03 -0.06 0.46 0.00 0.00 0.00 0.00 174.94 175.38 1tka s ALA 525 N 1.44 3.53 -0.00 9.38 0.00 -0.24 -0.86 121.76 135.01 1tka s ALA 525 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.17 1tka s ALA 525 Cb -0.18 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 1tka s ALA 525 CO 0.02 -0.92 -0.23 -0.51 0.00 0.00 0.00 175.76 174.13 1tka s LEU 526 N 2.25 2.29 0.44 0.00 1.43 0.32 -4.27 118.68 121.14 1tka s LEU 526 Ca 0.18 -0.44 -0.23 0.00 -1.03 0.00 0.00 54.13 52.61 1tka s LEU 526 Cb -0.16 -1.39 -0.08 0.00 0.03 0.00 0.00 46.19 44.59 1tka s LEU 526 CO 0.11 0.30 1.08 -0.94 0.23 0.00 0.00 176.35 177.13 1tka s SER 527 N -0.91 6.48 -0.08 2.29 1.04 -1.26 -0.44 113.70 120.82 1tka s SER 527 Ca 0.11 2.09 -0.26 0.00 0.48 0.00 0.00 55.95 58.37 1tka s SER 527 Cb -0.10 -2.58 -0.25 0.00 0.10 0.00 0.00 66.02 63.19 1tka s SER 527 CO 0.01 -0.69 0.95 -0.09 0.98 0.00 0.00 173.24 174.39 1tka h ARG 528 N 2.13 0.10 -7.36 4.02 2.43 -1.93 -3.07 114.38 110.70 1tka h ARG 528 Ca -0.49 -0.12 -0.51 0.00 -0.81 0.00 0.00 59.98 58.05 1tka h ARG 528 Cb 1.23 0.04 0.09 0.00 -0.42 0.00 0.00 29.97 30.90 1tka h ARG 528 CO 0.61 0.93 0.38 1.14 -1.51 0.00 0.00 179.97 181.52 1tka s GLN 529 N -2.85 2.99 -0.04 0.20 0.00 -1.26 -4.72 119.66 113.98 1tka s GLN 529 Ca -0.17 0.86 -0.29 0.00 -0.00 0.00 0.00 55.36 55.76 1tka s GLN 529 Cb -0.01 -2.00 -0.02 0.00 0.00 0.00 0.00 33.01 30.98 1tka s GLN 529 CO 0.72 -1.04 0.95 -0.80 0.00 0.00 0.00 175.29 175.13 1tka s ASN 530 N -3.91 7.28 0.05 12.60 0.01 -1.26 -3.58 114.94 126.12 1tka s ASN 530 Ca 0.58 1.55 0.07 0.00 -0.71 0.00 0.00 52.86 54.35 1tka s ASN 530 Cb -0.13 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 38.95 1tka s ASN 530 CO 0.55 -0.31 -0.17 -0.76 -1.51 0.00 0.00 177.10 174.90 1tka s LEU 531 N 1.33 2.67 0.94 0.60 1.43 -0.51 -4.84 118.68 120.30 1tka s LEU 531 Ca 0.49 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 53.02 1tka s LEU 531 Cb -0.20 -1.55 0.16 0.00 0.03 0.00 0.00 46.19 44.63 1tka s LEU 531 CO 0.23 0.24 1.17 -2.16 0.23 0.00 0.00 176.35 176.06 1tka s PRO 532 N -1.57 0.87 -0.31 1.29 0.04 -1.26 -0.93 135.00 133.12 1tka s PRO 532 Ca 0.15 0.12 -0.21 0.00 0.04 0.00 0.00 61.00 61.10 1tka s PRO 532 Cb -0.11 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.61 1tka s PRO 532 CO 0.06 -2.35 0.69 -0.65 0.04 0.00 0.00 177.00 174.79 1tka s GLN 533 N -5.42 3.91 0.45 4.56 -1.52 -1.26 -4.75 119.66 115.63 1tka s GLN 533 Ca 0.66 0.39 -0.22 0.00 -1.95 0.00 0.00 55.36 54.24 1tka s GLN 533 Cb -0.12 -3.73 -0.08 0.00 -0.22 0.00 0.00 33.01 28.86 1tka s GLN 533 CO 0.53 -0.62 1.09 -0.51 -0.25 0.00 0.00 175.29 175.53 1tka s LEU 534 N 2.74 3.99 -0.50 2.90 1.43 -1.26 -4.43 118.68 123.55 1tka s LEU 534 Ca 0.28 2.10 -0.21 0.00 -1.03 0.00 0.00 54.13 55.27 1tka s LEU 534 Cb -0.15 -4.34 0.04 0.00 0.03 0.00 0.00 46.19 41.78 1tka s LEU 534 CO 0.12 -0.76 0.69 -0.70 0.23 0.00 0.00 176.35 175.93 1tka s GLU 535 N -2.83 3.21 0.00 1.70 -6.30 -1.26 -4.10 118.70 109.12 1tka s GLU 535 Ca 0.63 -0.61 0.00 0.00 -2.50 0.00 0.00 54.97 52.49 1tka s GLU 535 Cb -0.23 -4.05 0.00 0.00 0.00 0.00 0.00 34.13 29.86 1tka s GLU 535 CO 0.27 -1.21 0.00 0.41 0.02 0.00 0.00 175.26 174.75 1tka n GLY 536 N 5.12 1.12 3.67 -1.50 0.00 -1.26 -4.84 105.19 107.50 1tka n GLY 536 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1tka n GLY 536 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tka s SER 537 N -0.58 7.16 0.51 1.61 1.04 -1.26 -4.89 113.70 117.28 1tka s SER 537 Ca 0.00 1.48 0.04 0.00 0.48 0.00 0.00 55.95 57.94 1tka s SER 537 Cb 0.00 -2.55 -0.00 0.00 0.10 0.00 0.00 66.02 63.57 1tka s SER 537 CO 0.00 -0.57 0.17 -0.94 0.98 0.00 0.00 173.24 172.88 1tka s SER 538 N 1.20 4.34 0.12 7.02 1.04 -1.26 -4.89 113.70 121.28 1tka s SER 538 Ca 0.47 -1.42 -0.12 0.00 0.48 0.00 0.00 55.95 55.36 1tka s SER 538 Cb -0.17 0.31 -0.08 0.00 0.10 0.00 0.00 66.02 66.18 1tka s SER 538 CO 0.12 -0.89 1.42 0.40 0.98 0.00 0.00 173.24 175.28 1tka h ILE 539 N 1.16 1.28 -0.32 -1.02 2.04 -1.98 -2.44 117.51 116.23 1tka h ILE 539 Ca -0.41 -1.63 -0.02 0.00 1.00 0.00 0.00 64.86 63.79 1tka h ILE 539 Cb 1.30 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 1tka h ILE 539 CO 0.68 0.54 0.10 -0.33 0.00 0.00 0.00 178.15 179.14 1tka h GLU 540 N 0.66 0.50 0.08 2.37 3.07 -1.94 0.14 114.58 119.44 1tka h GLU 540 Ca 0.03 -0.10 -0.26 0.00 -0.50 0.00 0.00 59.36 58.53 1tka h GLU 540 Cb 1.05 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.90 1tka h GLU 540 CO 0.11 0.53 -1.12 0.66 -1.40 0.00 0.00 179.01 177.79 1tka h SER 541 N 0.37 0.54 -0.07 1.42 4.64 -1.96 -3.20 113.55 115.28 1tka h SER 541 Ca 0.10 -0.50 -0.04 0.00 -0.47 0.00 0.00 61.79 60.89 1tka h SER 541 Cb 0.24 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1tka h SER 541 CO -0.00 1.34 -0.04 0.00 -0.87 0.00 0.00 176.83 177.25 1tka h ALA 542 N 0.61 1.58 -0.09 5.18 0.00 -0.88 -1.05 119.26 124.60 1tka h ALA 542 Ca -0.12 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1tka h ALA 542 Cb 1.79 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 1tka h ALA 542 CO 0.19 0.31 0.10 0.77 0.00 0.00 0.00 179.25 180.62 1tka h SER 543 N 0.27 0.00 0.00 0.00 0.02 -0.74 -1.00 113.55 112.10 1tka h SER 543 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1tka h SER 543 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1tka h SER 543 CO 0.01 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.99 1tka n LYS 544 N -3.87 0.97 0.00 3.45 5.02 -0.40 -4.85 118.16 118.48 1tka n LYS 544 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1tka n LYS 544 Cb 0.21 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1tka n LYS 544 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tka n GLY 545 N 0.76 2.56 3.47 0.72 0.00 -0.38 -3.67 105.19 108.65 1tka n GLY 545 Ca 0.14 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 1tka n GLY 545 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tka s GLY 546 N -1.21 -0.44 0.25 -0.02 0.00 -1.26 -1.31 107.32 103.34 1tka s GLY 546 Ca 0.00 1.41 -0.19 0.00 0.00 0.00 0.00 44.72 45.94 1tka s GLY 546 CO 0.00 1.15 0.63 -2.52 0.00 0.00 0.00 173.10 172.36 1tka s TYR 547 N -0.28 -0.08 -0.42 1.90 1.13 -0.63 -4.98 117.35 113.99 1tka s TYR 547 Ca -0.05 -0.33 -0.23 0.00 -1.41 0.00 0.00 57.07 55.06 1tka s TYR 547 Cb -0.03 0.54 0.02 0.00 -1.10 0.00 0.00 41.96 41.39 1tka s TYR 547 CO 0.04 -1.11 0.78 0.08 -2.51 0.00 0.00 175.55 172.82 1tka s VAL 548 N -3.92 4.68 -0.01 -3.49 1.01 -1.26 -1.09 120.40 116.32 1tka s VAL 548 Ca 0.13 0.55 -0.10 0.00 0.00 0.00 0.00 61.98 62.56 1tka s VAL 548 Cb -0.04 -4.28 -0.31 0.00 0.00 0.00 0.00 36.38 31.75 1tka s VAL 548 CO 0.05 -0.63 0.84 0.25 0.00 0.00 0.00 175.10 175.61 1tka h LEU 549 N 9.99 0.60 -7.71 3.92 5.85 -0.86 -3.46 115.31 123.65 1tka h LEU 549 Ca -0.25 -0.79 -0.26 0.00 0.84 0.00 0.00 57.88 57.42 1tka h LEU 549 Cb 1.09 -0.20 -0.29 0.00 0.37 0.00 0.00 40.66 41.63 1tka h LEU 549 CO 0.94 1.65 -0.73 -1.10 -0.34 0.00 0.00 178.44 178.86 1tka s GLN 550 N -2.60 0.06 0.14 1.25 -0.21 -0.75 -4.68 119.66 112.88 1tka s GLN 550 Ca -0.11 0.01 0.07 0.00 0.02 0.00 0.00 55.36 55.35 1tka s GLN 550 Cb 0.06 -0.12 -0.04 0.00 1.00 0.00 0.00 33.01 33.91 1tka s GLN 550 CO 0.88 -0.02 -0.16 0.34 -2.12 0.00 0.00 175.29 174.21 1tka s ASP 551 N 0.21 2.32 0.11 5.90 2.15 -1.26 -0.84 116.67 125.27 1tka s ASP 551 Ca -0.02 -0.84 0.03 0.00 0.43 0.00 0.00 52.55 52.14 1tka s ASP 551 Cb -0.03 -0.11 -0.04 0.00 -0.30 0.00 0.00 42.92 42.44 1tka s ASP 551 CO -0.01 -0.10 -0.08 0.68 -0.17 0.00 0.00 175.17 175.50 1tka s VAL 552 N -2.15 0.82 0.13 1.11 -7.23 -1.26 -4.97 120.40 106.84 1tka s VAL 552 Ca 0.13 -1.90 -0.27 0.00 -1.81 0.00 0.00 61.98 58.13 1tka s VAL 552 Cb -0.05 -1.64 -0.07 0.00 0.56 0.00 0.00 36.38 35.18 1tka s VAL 552 CO 0.05 -0.79 0.83 0.00 -0.31 0.00 0.00 175.10 174.87 1tka s ALA 553 N -3.35 3.37 -0.92 1.32 0.00 -1.26 -4.27 121.76 116.66 1tka s ALA 553 Ca 0.11 0.41 -0.08 0.00 0.00 0.00 0.00 51.96 52.41 1tka s ALA 553 Cb 0.03 -3.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 1tka s ALA 553 CO -0.03 0.15 0.72 0.09 0.00 0.00 0.00 175.76 176.69 1tka n ASN 554 N 2.19 -6.07 -4.78 0.00 5.03 -1.26 -4.92 115.26 105.46 1tka n ASN 554 Ca -0.03 -0.68 -0.41 0.00 0.87 0.00 0.00 54.58 54.33 1tka n ASN 554 Cb 0.49 -3.61 -0.00 0.00 -1.02 0.00 0.00 39.78 35.64 1tka n ASN 554 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1tka n PRO 555 N -2.92 2.68 0.10 3.52 -0.04 -1.26 -4.83 135.00 132.25 1tka n PRO 555 Ca -0.13 0.94 -0.04 0.00 -0.04 0.00 0.00 63.50 64.24 1tka n PRO 555 Cb 0.59 -2.67 0.04 0.00 -0.04 0.00 0.00 33.50 31.42 1tka n PRO 555 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1tka h ASP 556 N 2.94 0.00 -5.08 3.54 3.32 0.13 -3.48 116.42 117.79 1tka h ASP 556 Ca -0.51 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.45 1tka h ASP 556 Cb 1.24 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.63 1tka h ASP 556 CO 0.64 0.79 -0.29 -0.51 -1.72 0.00 0.00 179.24 178.14 1tka s ILE 557 N -3.18 0.10 -0.15 0.35 2.07 -1.03 -4.29 121.20 115.06 1tka s ILE 557 Ca -0.00 -0.84 0.02 0.00 -1.41 0.00 0.00 60.65 58.42 1tka s ILE 557 Cb 0.11 -1.05 0.01 0.00 0.13 0.00 0.00 42.46 41.67 1tka s ILE 557 CO 0.79 -0.46 -0.21 -0.63 -1.91 0.00 0.00 174.94 172.51 1tka s ILE 558 N -2.98 2.04 -0.24 2.00 1.01 -0.40 -1.48 121.20 121.15 1tka s ILE 558 Ca -0.02 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.59 1tka s ILE 558 Cb 0.01 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1tka s ILE 558 CO -0.06 0.54 0.12 -0.76 0.00 0.00 0.00 174.94 174.78 1tka s LEU 559 N 1.01 3.78 -0.14 2.97 1.43 -0.31 -1.94 118.68 125.48 1tka s LEU 559 Ca -0.02 -0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1tka s LEU 559 Cb -0.14 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1tka s LEU 559 CO -0.06 0.01 -0.10 -0.69 0.23 0.00 0.00 176.35 175.74 1tka s VAL 560 N 1.34 3.32 0.11 -1.59 1.01 -0.34 -1.15 120.40 123.09 1tka s VAL 560 Ca 0.06 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 1tka s VAL 560 Cb -0.15 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1tka s VAL 560 CO 0.05 0.52 0.16 0.00 0.00 0.00 0.00 175.10 175.83 1tka s ALA 561 N 0.32 0.11 0.15 5.51 0.00 -0.68 -0.45 121.76 126.72 1tka s ALA 561 Ca -0.08 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.01 1tka s ALA 561 Cb -0.15 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 1tka s ALA 561 CO 0.05 -0.52 -0.10 0.95 0.00 0.00 0.00 175.76 176.14 1tka s THR 562 N -3.92 1.20 0.00 0.00 -4.23 -1.20 -1.69 115.64 105.80 1tka s THR 562 Ca 0.11 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1tka s THR 562 Cb 0.05 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 72.04 1tka s THR 562 CO -0.06 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 173.89 1tka n GLY 563 N -0.20 2.61 0.09 3.99 0.00 -0.70 -1.33 105.19 109.66 1tka n GLY 563 Ca -0.10 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.11 1tka n GLY 563 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tka n SER 564 N 2.21 0.32 0.06 1.61 3.41 -1.26 -3.00 113.62 116.97 1tka n SER 564 Ca 0.00 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 1tka n SER 564 Cb 0.00 -0.69 0.08 0.00 -0.26 0.00 0.00 64.21 63.34 1tka n SER 564 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1tka n GLU 565 N -1.93 0.37 0.01 4.33 4.71 -0.44 -3.98 120.64 123.71 1tka n GLU 565 Ca -0.01 0.07 -0.11 0.00 -0.01 0.00 0.00 57.16 57.10 1tka n GLU 565 Cb 0.03 -1.69 -0.06 0.00 -1.01 0.00 0.00 31.44 28.71 1tka n GLU 565 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1tka h VAL 566 N 0.00 1.03 -0.68 2.62 2.07 -1.58 -0.63 116.25 119.07 1tka h VAL 566 Ca 0.00 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 1tka h VAL 566 Cb 0.81 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1tka h VAL 566 CO 0.00 0.02 0.22 0.77 0.02 0.00 0.00 177.57 178.60 1tka h SER 567 N 0.10 0.96 -0.63 0.57 4.64 -1.78 -0.81 113.55 116.61 1tka h SER 567 Ca 0.03 -0.17 0.09 0.00 -0.47 0.00 0.00 61.79 61.28 1tka h SER 567 Cb -0.00 -0.25 -0.07 0.00 -0.31 0.00 0.00 62.40 61.76 1tka h SER 567 CO -0.01 0.89 0.26 0.25 -0.87 0.00 0.00 176.83 177.36 1tka h LEU 568 N 1.00 0.28 -0.80 5.97 5.85 -1.66 0.34 115.31 126.29 1tka h LEU 568 Ca 0.22 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.94 1tka h LEU 568 Cb 0.27 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1tka h LEU 568 CO -0.01 0.17 0.10 0.28 -0.34 0.00 0.00 178.44 178.64 1tka h SER 569 N 0.45 0.96 -0.18 1.25 0.02 -0.27 0.44 113.55 116.22 1tka h SER 569 Ca 0.32 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1tka h SER 569 Cb 0.37 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1tka h SER 569 CO -0.29 0.96 0.10 0.58 -1.14 0.00 0.00 176.83 177.03 1tka h VAL 570 N 0.95 1.11 -0.84 2.27 2.07 -0.54 0.20 116.25 121.46 1tka h VAL 570 Ca 0.19 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1tka h VAL 570 Cb 0.41 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1tka h VAL 570 CO 0.01 0.10 0.44 -0.33 0.02 0.00 0.00 177.57 177.81 1tka h GLU 571 N 0.19 1.17 -0.10 1.57 4.39 -0.67 -0.49 114.58 120.64 1tka h GLU 571 Ca 0.06 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.53 1tka h GLU 571 Cb 0.07 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 1tka h GLU 571 CO -0.01 0.87 -0.35 0.00 -1.16 0.00 0.00 179.01 178.36 1tka h ALA 572 N 1.31 1.23 -0.07 3.43 0.00 0.18 -0.63 119.26 124.71 1tka h ALA 572 Ca 0.29 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1tka h ALA 572 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1tka h ALA 572 CO -0.04 0.52 -0.67 0.00 0.00 0.00 0.00 179.25 179.06 1tka h ALA 573 N 1.47 0.73 -0.08 0.00 0.00 -0.23 -0.68 119.26 120.47 1tka h ALA 573 Ca 0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1tka h ALA 573 Cb 0.70 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1tka h ALA 573 CO 0.05 0.76 -0.02 0.87 0.00 0.00 0.00 179.25 180.91 1tka h LYS 574 N 0.21 0.16 -1.00 0.00 6.56 -0.20 -2.20 116.57 120.10 1tka h LYS 574 Ca -0.02 -0.06 0.06 0.00 -1.06 0.00 0.00 60.65 59.58 1tka h LYS 574 Cb 1.21 -0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 32.79 1tka h LYS 574 CO 0.11 0.48 0.65 1.15 -2.06 0.00 0.00 179.45 179.77 1tka h THR 575 N -0.17 1.09 -0.05 -0.16 2.02 -0.81 -2.82 112.91 112.00 1tka h THR 575 Ca 0.02 -0.41 -0.10 0.00 0.77 0.00 0.00 66.41 66.69 1tka h THR 575 Cb 0.42 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 1tka h THR 575 CO 0.01 0.22 -0.45 -0.07 0.37 0.00 0.00 175.52 175.60 1tka h LEU 576 N 1.18 0.12 -0.61 2.58 3.38 -0.94 -2.24 115.31 118.78 1tka h LEU 576 Ca 0.43 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.29 1tka h LEU 576 Cb 0.16 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1tka h LEU 576 CO -0.17 0.55 0.14 0.00 0.09 0.00 0.00 178.44 179.05 1tka h ALA 577 N 1.45 0.80 -0.28 1.53 0.00 -1.15 -0.28 119.26 121.33 1tka h ALA 577 Ca 0.01 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.76 1tka h ALA 577 Cb 0.83 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1tka h ALA 577 CO 0.06 0.52 0.22 0.00 0.00 0.00 0.00 179.25 180.05 1tka h ALA 578 N 1.04 2.18 -0.54 0.00 0.00 -1.29 0.35 119.26 121.00 1tka h ALA 578 Ca 0.19 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1tka h ALA 578 Cb 0.36 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 1tka h ALA 578 CO 0.00 -0.36 0.12 1.63 0.00 0.00 0.00 179.25 180.64 1tka n LYS 579 N -4.30 3.41 -3.70 0.00 5.02 -0.38 -4.98 118.16 113.24 1tka n LYS 579 Ca 0.04 -3.05 -0.28 0.00 -2.02 0.00 0.00 58.31 53.00 1tka n LYS 579 Cb 0.38 -2.07 0.03 0.00 -0.02 0.00 0.00 35.03 33.34 1tka n LYS 579 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1tka n ASN 580 N -0.29 -4.93 -4.47 4.39 5.03 0.12 -5.01 115.26 110.10 1tka n ASN 580 Ca 0.33 -0.64 -0.33 0.00 0.87 0.00 0.00 54.58 54.81 1tka n ASN 580 Cb 1.19 -3.95 -0.13 0.00 -1.02 0.00 0.00 39.78 35.87 1tka n ASN 580 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1tka s ILE 581 N -3.22 3.63 -0.47 2.41 1.09 -0.26 -4.97 121.20 119.40 1tka s ILE 581 Ca 0.58 -0.46 -0.21 0.00 -1.10 0.00 0.00 60.65 59.46 1tka s ILE 581 Cb -0.29 -2.56 0.04 0.00 -1.06 0.00 0.00 42.46 38.59 1tka s ILE 581 CO 0.71 0.51 0.67 -0.54 -0.10 0.00 0.00 174.94 176.20 1tka s LYS 582 N 0.23 3.23 -0.12 2.79 1.02 -1.26 -2.93 119.74 122.69 1tka s LYS 582 Ca -0.04 -0.52 -0.02 0.00 0.02 0.00 0.00 55.97 55.41 1tka s LYS 582 Cb -0.14 -4.01 -0.03 0.00 -0.52 0.00 0.00 37.83 33.13 1tka s LYS 582 CO 0.04 -1.12 -0.06 0.00 -0.92 0.00 0.00 175.35 173.29 1tka s ALA 583 N 2.88 2.97 0.01 5.17 0.00 -1.26 0.16 121.76 131.70 1tka s ALA 583 Ca 0.21 -0.85 -0.14 0.00 0.00 0.00 0.00 51.96 51.19 1tka s ALA 583 Cb -0.15 -1.41 -0.06 0.00 0.00 0.00 0.00 23.12 21.50 1tka s ALA 583 CO 0.17 0.35 0.40 0.50 0.00 0.00 0.00 175.76 177.18 1tka s ARG 584 N -0.07 3.88 -0.28 0.00 3.52 -0.55 -4.52 118.95 120.94 1tka s ARG 584 Ca 0.01 0.36 -0.04 0.00 -0.13 0.00 0.00 55.73 55.93 1tka s ARG 584 Cb -0.13 -3.18 0.02 0.00 -1.56 0.00 0.00 34.95 30.10 1tka s ARG 584 CO 0.03 0.67 0.02 0.08 -0.81 0.00 0.00 175.30 175.28 1tka s VAL 585 N -1.14 3.44 -0.22 7.11 1.01 -0.02 -1.17 120.40 129.42 1tka s VAL 585 Ca 0.25 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 1tka s VAL 585 Cb -0.16 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1tka s VAL 585 CO 0.14 0.10 0.11 -0.69 0.00 0.00 0.00 175.10 174.76 1tka s VAL 586 N 1.40 5.02 -0.27 2.92 1.01 -0.30 -0.11 120.40 130.07 1tka s VAL 586 Ca 0.01 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 1tka s VAL 586 Cb -0.17 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1tka s VAL 586 CO -0.01 0.40 0.15 -0.55 0.00 0.00 0.00 175.10 175.09 1tka s SER 587 N 0.81 5.78 -0.87 3.32 0.15 -0.25 -1.69 113.70 120.94 1tka s SER 587 Ca 0.06 -0.06 -0.00 0.00 0.70 0.00 0.00 55.95 56.65 1tka s SER 587 Cb -0.13 -2.06 0.25 0.00 -1.71 0.00 0.00 66.02 62.37 1tka s SER 587 CO 0.02 -0.04 0.94 -0.11 1.20 0.00 0.00 173.24 175.25 1tka n LEU 588 N 4.96 4.61 0.20 3.45 7.94 -0.68 -1.60 117.00 135.88 1tka n LEU 588 Ca -0.15 -5.24 0.06 0.00 -1.11 0.00 0.00 56.01 49.58 1tka n LEU 588 Cb 0.52 -1.03 0.39 0.00 0.53 0.00 0.00 43.42 43.83 1tka n LEU 588 CO 0.33 1.73 0.72 1.55 -1.11 0.00 0.00 177.39 180.60 1tka h PRO 589 N 5.37 0.00 -2.62 1.96 0.13 -1.71 -3.42 132.00 131.71 1tka h PRO 589 Ca 0.18 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.04 1tka h PRO 589 Cb 0.72 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.51 1tka h PRO 589 CO 0.96 0.34 -0.59 0.34 -0.23 0.00 0.00 178.00 178.83 1tka s ASP 590 N -6.47 0.93 0.30 1.44 2.15 -0.42 -0.35 116.67 114.25 1tka s ASP 590 Ca -0.01 0.10 0.05 0.00 0.43 0.00 0.00 52.55 53.12 1tka s ASP 590 Cb 0.12 0.52 0.69 0.00 -0.30 0.00 0.00 42.92 43.94 1tka s ASP 590 CO 0.68 -0.29 1.81 -0.26 -0.17 0.00 0.00 175.17 176.94 1tka h PHE 591 N 8.30 1.06 0.32 -5.34 -1.00 -1.81 -1.29 116.94 117.17 1tka h PHE 591 Ca -0.16 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.64 1tka h PHE 591 Cb 1.14 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 40.37 1tka h PHE 591 CO 0.23 0.33 -0.15 0.35 -1.61 0.00 0.00 178.31 177.46 1tka h PHE 592 N 0.84 -0.40 -0.76 -0.55 3.04 -1.90 -1.33 116.94 115.88 1tka h PHE 592 Ca 0.53 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.49 1tka h PHE 592 Cb 0.73 0.13 -0.04 0.00 2.56 0.00 0.00 35.95 39.33 1tka h PHE 592 CO -0.00 -0.05 0.49 1.15 -2.02 0.00 0.00 178.31 177.88 1tka h THR 593 N -0.84 1.15 0.44 4.41 2.02 -1.86 -2.30 112.91 115.91 1tka h THR 593 Ca -0.04 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1tka h THR 593 Cb 0.52 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1tka h THR 593 CO 0.07 0.18 -0.47 0.15 0.37 0.00 0.00 175.52 175.82 1tka h PHE 594 N 0.98 -1.31 -0.76 3.16 3.57 -1.24 -0.87 116.94 120.48 1tka h PHE 594 Ca 0.30 0.01 0.22 0.00 3.53 0.00 0.00 57.97 62.03 1tka h PHE 594 Cb -0.04 0.51 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 1tka h PHE 594 CO -0.03 -0.63 0.75 -0.44 -2.23 0.00 0.00 178.31 175.73 1tka h ASP 595 N -0.93 0.00 0.36 0.41 3.32 -1.11 0.36 116.42 118.83 1tka h ASP 595 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1tka h ASP 595 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1tka h ASP 595 CO -0.09 0.00 -0.05 0.29 -1.72 0.00 0.00 179.24 177.68 1tka n LYS 596 N -3.69 0.68 -2.10 3.56 5.02 -0.34 -4.86 118.16 116.43 1tka n LYS 596 Ca 0.16 -0.13 -0.32 0.00 -2.02 0.00 0.00 58.31 56.00 1tka n LYS 596 Cb 1.01 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.51 1tka n LYS 596 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1tka s GLN 597 N -2.41 3.72 0.54 1.97 -1.52 0.13 -5.01 119.66 117.07 1tka s GLN 597 Ca 0.32 0.87 -0.22 0.00 -1.95 0.00 0.00 55.36 54.38 1tka s GLN 597 Cb 0.20 -2.10 -0.05 0.00 -0.22 0.00 0.00 33.01 30.84 1tka s GLN 597 CO 0.45 -0.47 1.34 -1.25 -0.25 0.00 0.00 175.29 175.11 1tka s PRO 598 N -4.64 3.21 0.43 2.91 0.04 -1.26 -4.81 135.00 130.88 1tka s PRO 598 Ca 0.57 2.19 0.09 0.00 0.04 0.00 0.00 61.00 63.90 1tka s PRO 598 Cb -0.11 -2.28 0.94 0.00 0.04 0.00 0.00 34.50 33.10 1tka s PRO 598 CO 0.43 -1.12 2.06 1.25 0.04 0.00 0.00 177.00 179.66 1tka h LEU 599 N 1.53 0.39 -0.55 -3.56 5.85 -1.95 0.69 115.31 117.72 1tka h LEU 599 Ca -0.51 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.32 1tka h LEU 599 Cb 1.29 -0.09 -0.11 0.00 0.37 0.00 0.00 40.66 42.12 1tka h LEU 599 CO 0.58 0.28 -0.14 -0.33 -0.34 0.00 0.00 178.44 178.48 1tka h GLU 600 N 0.46 -0.01 -0.03 1.25 5.08 -1.98 0.13 114.58 119.48 1tka h GLU 600 Ca 0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1tka h GLU 600 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1tka h GLU 600 CO -0.04 -0.00 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.02 1tka h TYR 601 N -0.01 0.09 -0.07 4.33 3.20 -1.28 -1.63 116.97 121.61 1tka h TYR 601 Ca 0.26 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.12 1tka h TYR 601 Cb 0.41 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 1tka h TYR 601 CO -0.47 0.54 -0.03 0.00 -1.64 0.00 0.00 178.16 176.56 1tka h ARG 602 N -0.39 -0.03 0.00 1.82 3.08 -0.71 0.50 114.38 118.65 1tka h ARG 602 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1tka h ARG 602 Cb 0.53 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 1tka h ARG 602 CO 0.01 -0.02 -0.01 -0.07 -1.07 0.00 0.00 179.97 178.81 1tka h LEU 603 N -0.03 0.00 -0.11 3.04 3.38 -0.79 0.26 115.31 121.05 1tka h LEU 603 Ca 0.04 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 1tka h LEU 603 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1tka h LEU 603 CO -0.09 0.01 -0.80 0.77 0.09 0.00 0.00 178.44 178.41 1tka h SER 604 N 0.00 0.00 -0.00 -0.43 4.64 0.09 -2.79 113.55 115.06 1tka h SER 604 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1tka h SER 604 Cb 0.04 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1tka h SER 604 CO 0.00 0.80 -0.38 0.58 -0.87 0.00 0.00 176.83 176.97 1tka h VAL 605 N 0.00 1.50 -3.08 0.95 2.07 0.32 -3.39 116.25 114.63 1tka h VAL 605 Ca -0.01 -1.99 -0.62 0.00 0.82 0.00 0.00 66.70 64.90 1tka h VAL 605 Cb 1.57 2.71 -0.41 0.00 -1.52 0.00 0.00 31.29 33.64 1tka h VAL 605 CO 0.10 0.56 -0.69 -0.76 0.02 0.00 0.00 177.57 176.81 1tka s LEU 606 N -8.45 3.54 0.00 2.57 1.43 -0.09 -4.96 118.68 112.72 1tka s LEU 606 Ca -0.15 -3.04 -0.03 0.00 -1.03 0.00 0.00 54.13 49.89 1tka s LEU 606 Cb 0.02 -1.30 0.04 0.00 0.03 0.00 0.00 46.19 44.97 1tka s LEU 606 CO 0.77 -0.21 0.20 -0.81 0.23 0.00 0.00 176.35 176.53 1tka n PRO 607 N 3.03 -0.34 -3.36 1.29 -0.04 -1.05 -4.41 135.00 130.12 1tka n PRO 607 Ca 0.11 -0.32 -0.31 0.00 -0.04 0.00 0.00 63.50 62.95 1tka n PRO 607 Cb 0.35 -0.22 -0.04 0.00 -0.04 0.00 0.00 33.50 33.55 1tka n PRO 607 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1tka s ASP 608 N -1.78 6.55 0.00 3.54 1.11 -1.26 -3.86 116.67 120.96 1tka s ASP 608 Ca 0.12 0.85 0.00 0.00 0.18 0.00 0.00 52.55 53.69 1tka s ASP 608 Cb -0.00 -2.20 0.00 0.00 1.07 0.00 0.00 42.92 41.79 1tka s ASP 608 CO 0.08 -0.14 0.00 0.59 1.18 0.00 0.00 175.17 176.89 1tka n ASN 609 N -0.50 -3.01 -4.33 0.27 3.02 0.30 -4.96 115.26 106.04 1tka n ASN 609 Ca -0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 1tka n ASN 609 Cb 0.53 -0.69 -0.15 0.00 -0.61 0.00 0.00 39.78 38.86 1tka n ASN 609 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tka s VAL 610 N -2.05 2.13 0.45 2.41 1.01 -1.26 -4.68 120.40 118.41 1tka s VAL 610 Ca 0.00 -1.25 -0.25 0.00 0.00 0.00 0.00 61.98 60.48 1tka s VAL 610 Cb 0.00 -1.78 -0.08 0.00 0.00 0.00 0.00 36.38 34.51 1tka s VAL 610 CO 0.00 0.47 1.40 -2.84 0.00 0.00 0.00 175.10 174.13 1tka s PRO 611 N -0.95 3.69 -0.08 2.72 0.02 -1.26 -4.91 135.00 134.23 1tka s PRO 611 Ca 0.11 2.36 0.03 0.00 0.02 0.00 0.00 61.00 63.51 1tka s PRO 611 Cb -0.10 -2.64 0.01 0.00 0.02 0.00 0.00 34.50 31.79 1tka s PRO 611 CO 0.01 -0.79 -0.15 0.42 -0.33 0.00 0.00 177.00 176.15 1tka s ILE 612 N -1.22 1.39 -0.07 2.83 1.01 -1.26 -1.27 121.20 122.61 1tka s ILE 612 Ca 0.61 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.66 1tka s ILE 612 Cb -0.42 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 40.80 1tka s ILE 612 CO 0.54 0.41 -0.14 -0.32 0.00 0.00 0.00 174.94 175.44 1tka s MET 613 N 0.63 1.89 0.16 2.79 1.75 -0.82 -0.43 119.30 125.27 1tka s MET 613 Ca -0.15 -0.49 -0.04 0.00 -1.25 0.00 0.00 55.69 53.77 1tka s MET 613 Cb -0.16 -1.53 -0.05 0.00 2.84 0.00 0.00 34.83 35.92 1tka s MET 613 CO 0.04 0.06 0.39 -1.54 -0.65 0.00 0.00 175.02 173.32 1tka s SER 614 N 0.58 6.47 -0.16 1.11 1.04 -0.39 -1.20 113.70 121.15 1tka s SER 614 Ca -0.15 0.56 -0.02 0.00 0.48 0.00 0.00 55.95 56.83 1tka s SER 614 Cb -0.16 -2.08 0.05 0.00 0.10 0.00 0.00 66.02 63.93 1tka s SER 614 CO 0.04 0.02 0.01 -0.69 0.98 0.00 0.00 173.24 173.60 1tka s VAL 615 N -1.72 0.62 -0.28 5.02 1.01 0.41 0.14 120.40 125.59 1tka s VAL 615 Ca 0.41 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 1tka s VAL 615 Cb -0.12 -0.97 0.09 0.00 0.00 0.00 0.00 36.38 35.38 1tka s VAL 615 CO 0.26 -0.03 0.72 -0.70 0.00 0.00 0.00 175.10 175.35 1tka s GLU 616 N 1.84 0.67 0.00 2.72 2.12 -1.07 -3.25 118.70 121.72 1tka s GLU 616 Ca 0.01 1.17 -0.02 0.00 0.36 0.00 0.00 54.97 56.48 1tka s GLU 616 Cb -0.16 0.13 -0.10 0.00 0.26 0.00 0.00 34.13 34.27 1tka s GLU 616 CO -0.07 -0.14 2.33 1.33 -0.54 0.00 0.00 175.26 178.16 1tka n VAL 617 N 4.25 2.06 -3.82 3.70 0.24 -1.26 -4.02 118.33 119.47 1tka n VAL 617 Ca -0.20 -0.79 -0.01 0.00 -2.04 0.00 0.00 64.34 61.30 1tka n VAL 617 Cb 0.59 -1.64 -0.00 0.00 -1.47 0.00 0.00 33.84 31.31 1tka n VAL 617 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1tka n LEU 618 N 2.02 0.00 -4.66 1.34 4.32 -1.26 -4.52 117.00 114.25 1tka n LEU 618 Ca 0.16 -0.14 -0.45 0.00 -0.02 0.00 0.00 56.01 55.56 1tka n LEU 618 Cb 0.58 0.09 -0.03 0.00 -1.62 0.00 0.00 43.42 42.45 1tka n LEU 618 CO 0.06 -0.03 0.94 0.00 -1.22 0.00 0.00 177.39 177.14 1tka n ALA 619 N -2.90 0.77 1.39 -1.18 0.00 -0.91 -0.22 120.51 117.48 1tka n ALA 619 Ca -0.01 0.41 0.14 0.00 0.00 0.00 0.00 53.44 53.99 1tka n ALA 619 Cb 0.03 -2.22 0.61 0.00 0.00 0.00 0.00 19.45 17.87 1tka n ALA 619 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1tka n THR 620 N 1.60 0.00 0.22 0.00 -2.24 -1.26 -4.49 114.28 108.11 1tka n THR 620 Ca 0.11 -0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 61.69 1tka n THR 620 Cb 0.31 -0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.34 1tka n THR 620 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1tka h THR 621 N 0.51 0.62 0.00 4.28 1.35 -1.97 -2.76 112.91 114.95 1tka h THR 621 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1tka h THR 621 Cb 0.36 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1tka h THR 621 CO 0.00 0.04 0.13 0.00 -0.25 0.00 0.00 175.52 175.44 1tka n TRP 623 N -1.87 0.26 0.32 0.00 7.02 -1.04 -4.13 117.44 118.00 1tka n TRP 623 Ca -0.01 0.08 0.02 0.00 -1.02 0.00 0.00 57.50 56.57 1tka n TRP 623 Cb 0.15 -0.50 0.14 0.00 -2.42 0.00 0.00 31.31 28.69 1tka n TRP 623 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1tka n GLY 624 N 1.43 -0.16 1.30 6.99 0.00 -1.24 -2.14 105.19 111.37 1tka n GLY 624 Ca 0.05 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1tka n GLY 624 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1tka n LYS 625 N -0.96 2.63 0.00 1.61 2.85 -1.26 -4.53 118.16 118.50 1tka n LYS 625 Ca 0.04 -2.53 0.00 0.00 -1.05 0.00 0.00 58.31 54.77 1tka n LYS 625 Cb 0.02 -1.55 0.00 0.00 -0.65 0.00 0.00 35.03 32.85 1tka n LYS 625 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1tka n TYR 626 N 1.56 -0.77 -3.93 5.58 4.01 -1.11 -3.81 117.16 118.68 1tka n TYR 626 Ca 0.23 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.67 1tka n TYR 626 Cb 0.59 0.38 -0.04 0.00 -0.31 0.00 0.00 39.34 39.96 1tka n TYR 626 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1tka s ALA 627 N -1.76 3.97 -0.09 -0.72 0.00 -0.91 -4.42 121.76 117.84 1tka s ALA 627 Ca 0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 51.96 50.93 1tka s ALA 627 Cb 0.00 -1.80 -0.28 0.00 0.00 0.00 0.00 23.12 21.04 1tka s ALA 627 CO 0.00 0.80 0.62 0.45 0.00 0.00 0.00 175.76 177.63 1tka h HIS 628 N 3.01 0.49 -3.36 0.00 3.86 -1.06 -3.40 115.15 114.69 1tka h HIS 628 Ca -0.45 -0.36 -0.40 0.00 -1.16 0.00 0.00 60.37 57.99 1tka h HIS 628 Cb 1.16 -0.02 -0.16 0.00 1.06 0.00 0.00 27.41 29.45 1tka h HIS 628 CO 0.60 1.53 -0.74 -0.65 0.86 0.00 0.00 177.93 179.53 1tka s GLN 629 N -2.48 1.11 -0.04 2.45 -1.52 0.01 -5.00 119.66 114.20 1tka s GLN 629 Ca -0.18 -1.38 0.01 0.00 -1.95 0.00 0.00 55.36 51.86 1tka s GLN 629 Cb 0.04 -0.90 0.02 0.00 -0.22 0.00 0.00 33.01 31.95 1tka s GLN 629 CO 0.79 0.15 -0.03 -1.12 -0.25 0.00 0.00 175.29 174.83 1tka s SER 630 N -2.84 0.78 -0.32 5.90 0.01 -1.26 -1.26 113.70 114.71 1tka s SER 630 Ca 0.14 -0.10 -0.07 0.00 1.31 0.00 0.00 55.95 57.23 1tka s SER 630 Cb -0.02 -0.38 0.03 0.00 0.21 0.00 0.00 66.02 65.86 1tka s SER 630 CO 0.03 -0.06 0.10 0.12 0.41 0.00 0.00 173.24 173.84 1tka s PHE 631 N 0.89 3.21 0.00 2.43 5.36 0.12 -4.90 117.98 125.09 1tka s PHE 631 Ca -0.11 -1.25 0.00 0.00 -0.96 0.00 0.00 56.93 54.61 1tka s PHE 631 Cb -0.14 -2.27 0.00 0.00 -0.34 0.00 0.00 43.02 40.27 1tka s PHE 631 CO -0.00 -0.67 0.00 0.41 -1.46 0.00 0.00 175.22 173.50 1tka n GLY 632 N 4.83 3.40 2.97 13.12 0.00 -1.26 -2.60 105.19 125.66 1tka n GLY 632 Ca -0.13 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 1tka n GLY 632 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tka s ILE 633 N -2.30 1.35 -0.25 -0.61 1.01 0.70 -4.82 121.20 116.28 1tka s ILE 633 Ca 0.00 -0.51 0.11 0.00 0.00 0.00 0.00 60.65 60.25 1tka s ILE 633 Cb 0.00 -1.31 0.47 0.00 0.01 0.00 0.00 42.46 41.63 1tka s ILE 633 CO 0.00 0.41 1.38 0.47 0.00 0.00 0.00 174.94 177.20 1tka n ASP 634 N 4.84 2.47 -4.28 3.58 8.00 -1.26 -2.13 116.55 127.76 1tka n ASP 634 Ca -0.15 -3.66 -0.15 0.00 0.71 0.00 0.00 54.79 51.54 1tka n ASP 634 Cb 0.50 -0.59 -0.10 0.00 -0.02 0.00 0.00 41.12 40.91 1tka n ASP 634 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1tka s ARG 635 N -3.17 1.25 1.19 -1.24 1.04 -1.26 -5.09 118.95 111.68 1tka s ARG 635 Ca 0.42 -1.63 -0.16 0.00 -1.04 0.00 0.00 55.73 53.32 1tka s ARG 635 Cb 0.38 -0.35 0.28 0.00 -2.04 0.00 0.00 34.95 33.23 1tka s ARG 635 CO -0.00 -0.17 1.04 -0.06 -0.04 0.00 0.00 175.30 176.06 1tka s PHE 636 N -3.63 1.01 0.00 5.89 0.08 -1.26 -5.00 117.98 115.06 1tka s PHE 636 Ca 0.29 0.87 0.00 0.00 0.12 0.00 0.00 56.93 58.21 1tka s PHE 636 Cb 0.06 -3.16 0.00 0.00 -0.57 0.00 0.00 43.02 39.35 1tka s PHE 636 CO 0.08 -3.88 0.00 0.41 -0.10 0.00 0.00 175.22 171.73 1tka n GLY 637 N 0.11 0.95 3.47 4.36 0.00 -1.26 -5.06 105.19 107.75 1tka n GLY 637 Ca 0.07 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 44.30 1tka n GLY 637 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tka s ALA 638 N -3.64 -1.44 0.16 4.61 0.00 -1.26 -4.61 121.76 115.58 1tka s ALA 638 Ca 0.00 1.43 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 1tka s ALA 638 Cb 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 23.12 22.40 1tka s ALA 638 CO 0.00 -0.29 1.02 0.45 0.00 0.00 0.00 175.76 176.93 1tka s SER 639 N -0.18 7.42 0.00 0.00 0.15 -1.26 -4.33 113.70 115.50 1tka s SER 639 Ca -0.04 1.94 0.00 0.00 0.70 0.00 0.00 55.95 58.55 1tka s SER 639 Cb -0.03 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1tka s SER 639 CO 0.03 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1tka n GLY 640 N 2.06 1.41 3.74 9.45 0.00 -1.26 -4.90 105.19 115.68 1tka n GLY 640 Ca 0.02 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 1tka n GLY 640 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tka s LYS 641 N -2.00 4.31 0.44 1.61 1.02 -1.26 -1.03 119.74 122.83 1tka s LYS 641 Ca 0.00 2.19 0.22 0.00 0.02 0.00 0.00 55.97 58.40 1tka s LYS 641 Cb 0.00 -3.16 1.20 0.00 -0.52 0.00 0.00 37.83 35.35 1tka s LYS 641 CO 0.00 -0.38 1.80 0.00 -0.92 0.00 0.00 175.35 175.85 1tka h ALA 642 N 5.56 2.42 -0.97 5.17 0.00 -1.83 -0.39 119.26 129.22 1tka h ALA 642 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1tka h ALA 642 Cb 1.21 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 1tka h ALA 642 CO 0.80 -0.78 0.61 -1.35 0.00 0.00 0.00 179.25 178.54 1tka h PRO 643 N 0.30 1.31 -0.28 0.00 0.11 -1.92 -1.09 132.00 130.43 1tka h PRO 643 Ca 0.55 -0.10 -0.10 0.00 0.11 0.00 0.00 66.00 66.46 1tka h PRO 643 Cb 1.58 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1tka h PRO 643 CO -0.20 0.89 -0.25 0.93 -0.21 0.00 0.00 178.00 179.16 1tka h GLU 644 N 1.33 0.53 -0.13 1.05 5.08 -1.47 -1.51 114.58 119.46 1tka h GLU 644 Ca 0.35 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1tka h GLU 644 Cb -0.10 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1tka h GLU 644 CO -0.07 0.74 -0.28 0.28 -1.00 0.00 0.00 179.01 178.68 1tka h VAL 645 N 0.47 1.37 -0.24 3.13 2.07 -0.97 -0.81 116.25 121.27 1tka h VAL 645 Ca 0.07 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1tka h VAL 645 Cb 0.68 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1tka h VAL 645 CO 0.05 0.46 0.15 -0.26 0.02 0.00 0.00 177.57 177.99 1tka h PHE 646 N 0.02 0.31 -0.69 1.57 -1.00 -1.06 -1.90 116.94 114.19 1tka h PHE 646 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1tka h PHE 646 Cb 0.87 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 40.30 1tka h PHE 646 CO 0.10 0.22 0.38 -0.22 -1.61 0.00 0.00 178.31 177.18 1tka h LYS 647 N 0.30 0.96 0.34 1.51 3.64 -1.30 0.28 116.57 122.31 1tka h LYS 647 Ca 0.09 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1tka h LYS 647 Cb -0.00 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 1tka h LYS 647 CO -0.02 0.70 -0.42 0.35 -2.27 0.00 0.00 179.45 177.79 1tka h PHE 648 N 0.97 -1.17 0.00 1.91 3.57 -0.86 -2.28 116.94 119.07 1tka h PHE 648 Ca 0.25 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1tka h PHE 648 Cb 0.03 0.47 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1tka h PHE 648 CO 0.01 -0.57 0.00 1.19 -2.23 0.00 0.00 178.31 176.71 1tka n PHE 649 N -5.50 0.23 -0.20 0.41 3.72 -0.74 -4.87 117.46 110.52 1tka n PHE 649 Ca -0.10 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1tka n PHE 649 Cb 0.40 -0.65 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 1tka n PHE 649 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1tka n GLY 650 N 0.07 0.89 3.15 1.37 0.00 -0.17 -5.00 105.19 105.50 1tka n GLY 650 Ca 0.03 -0.14 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 1tka n GLY 650 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1tka n PHE 651 N -2.20 3.74 -4.34 1.61 3.01 -0.09 -4.24 117.46 114.96 1tka n PHE 651 Ca 0.00 -3.11 -0.18 0.00 1.01 0.00 0.00 57.45 55.17 1tka n PHE 651 Cb 0.00 -1.76 -0.10 0.00 -0.01 0.00 0.00 39.48 37.61 1tka n PHE 651 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1tka s THR 652 N -0.60 1.47 0.10 4.37 -4.23 -1.26 -4.47 115.64 111.02 1tka s THR 652 Ca 0.36 -2.13 -0.27 0.00 -1.18 0.00 0.00 61.69 58.48 1tka s THR 652 Cb 0.01 -2.14 -0.11 0.00 1.34 0.00 0.00 72.50 71.61 1tka s THR 652 CO 0.01 -0.52 1.66 -0.65 -0.54 0.00 0.00 174.62 174.58 1tka h PRO 653 N 2.53 -0.40 -0.13 3.99 0.11 -1.91 -0.80 132.00 135.39 1tka h PRO 653 Ca -0.38 0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 1tka h PRO 653 Cb 1.22 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 1tka h PRO 653 CO 0.64 -0.27 -0.09 0.93 -0.21 0.00 0.00 178.00 179.00 1tka h GLU 654 N -0.42 0.20 -0.34 1.05 5.08 -1.92 -0.50 114.58 117.73 1tka h GLU 654 Ca 0.01 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.17 1tka h GLU 654 Cb 0.41 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1tka h GLU 654 CO -0.08 0.30 -0.46 0.78 -1.00 0.00 0.00 179.01 178.55 1tka h GLY 655 N 0.61 0.97 0.67 -3.84 0.00 -1.52 -1.65 103.07 98.32 1tka h GLY 655 Ca 0.04 -1.06 -0.03 0.00 0.00 0.00 0.00 47.33 46.29 1tka h GLY 655 CO 0.01 0.95 -0.05 -2.08 0.00 0.00 0.00 176.54 175.38 1tka h VAL 656 N 0.71 1.33 -0.84 4.60 2.07 -0.94 -2.99 116.25 120.19 1tka h VAL 656 Ca 0.04 -1.09 0.13 0.00 0.82 0.00 0.00 66.70 66.60 1tka h VAL 656 Cb 1.06 1.87 -0.09 0.00 -1.52 0.00 0.00 31.29 32.61 1tka h VAL 656 CO 0.11 0.30 0.44 0.00 0.02 0.00 0.00 177.57 178.44 1tka h ALA 657 N 0.62 1.24 -0.70 1.67 0.00 -0.84 0.08 119.26 121.32 1tka h ALA 657 Ca 0.02 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1tka h ALA 657 Cb 0.51 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1tka h ALA 657 CO 0.01 -0.03 0.45 1.49 0.00 0.00 0.00 179.25 181.17 1tka h GLU 658 N 0.67 0.88 -0.10 0.00 4.81 -1.29 0.32 114.58 119.88 1tka h GLU 658 Ca 0.44 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.54 1tka h GLU 658 Cb 0.56 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1tka h GLU 658 CO -0.33 0.59 -0.26 0.00 -0.73 0.00 0.00 179.01 178.28 1tka h ARG 659 N 0.91 0.17 -0.36 1.92 3.08 -0.86 -0.07 114.38 119.18 1tka h ARG 659 Ca 0.27 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.19 1tka h ARG 659 Cb -0.05 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1tka h ARG 659 CO -0.08 0.43 -0.07 0.00 -1.07 0.00 0.00 179.97 179.18 1tka h ALA 660 N 1.57 0.50 -0.33 0.04 0.00 -0.29 -0.04 119.26 120.71 1tka h ALA 660 Ca 0.03 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1tka h ALA 660 Cb 0.56 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1tka h ALA 660 CO 0.04 0.34 0.20 1.96 0.00 0.00 0.00 179.25 181.79 1tka h GLN 661 N 0.49 0.41 -0.23 0.00 4.20 -0.77 -0.31 115.11 118.89 1tka h GLN 661 Ca 0.09 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 1tka h GLN 661 Cb 0.58 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1tka h GLN 661 CO 0.03 0.27 -0.03 0.87 -0.67 0.00 0.00 178.83 179.30 1tka h LYS 662 N 0.42 0.34 -0.38 1.46 1.79 -0.80 -2.05 116.57 117.35 1tka h LYS 662 Ca 0.12 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.46 1tka h LYS 662 Cb -0.03 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 1tka h LYS 662 CO -0.04 0.39 -0.05 1.15 -1.08 0.00 0.00 179.45 179.81 1tka h THR 663 N 0.33 1.27 -0.22 -0.16 2.02 -0.61 -1.38 112.91 114.16 1tka h THR 663 Ca 0.07 -1.10 0.03 0.00 0.77 0.00 0.00 66.41 66.18 1tka h THR 663 Cb 0.27 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1tka h THR 663 CO 0.01 0.37 0.04 0.40 0.37 0.00 0.00 175.52 176.71 1tka h ILE 664 N 0.51 0.90 -0.77 3.11 2.04 -0.72 -2.50 117.51 120.08 1tka h ILE 664 Ca 0.10 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 1tka h ILE 664 Cb 0.55 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1tka h ILE 664 CO 0.03 0.02 0.34 0.00 0.00 0.00 0.00 178.15 178.54 1tka h ALA 665 N 1.16 1.14 -0.08 1.87 0.00 -1.36 -0.96 119.26 121.03 1tka h ALA 665 Ca 0.10 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1tka h ALA 665 Cb 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1tka h ALA 665 CO -0.13 0.63 -0.24 0.35 0.00 0.00 0.00 179.25 179.87 1tka h PHE 666 N 1.11 0.14 -0.02 0.00 3.57 -0.93 -3.18 116.94 117.63 1tka h PHE 666 Ca 0.26 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1tka h PHE 666 Cb 0.16 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1tka h PHE 666 CO 0.02 0.36 0.00 0.66 -2.23 0.00 0.00 178.31 177.12 1tka n TYR 667 N -4.21 0.01 -1.68 0.41 4.01 -0.97 -4.99 117.16 109.74 1tka n TYR 667 Ca -0.01 -0.01 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 1tka n TYR 667 Cb 0.32 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 1tka n TYR 667 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1tka s LYS 668 N -1.06 4.02 0.00 -0.72 2.47 -0.40 -1.15 119.74 122.90 1tka s LYS 668 Ca 0.15 2.52 0.00 0.00 -1.56 0.00 0.00 55.97 57.08 1tka s LYS 668 Cb 0.11 -4.18 0.00 0.00 -1.46 0.00 0.00 37.83 32.30 1tka s LYS 668 CO 0.16 -1.09 0.00 0.41 0.16 0.00 0.00 175.35 174.99 1tka n GLY 669 N 4.68 0.99 3.23 5.54 0.00 -1.26 -5.06 105.19 113.30 1tka n GLY 669 Ca 0.21 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 1tka n GLY 669 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tka s ASP 670 N -2.62 2.48 0.21 1.61 1.01 -0.30 -5.13 116.67 113.94 1tka s ASP 670 Ca 0.00 -0.41 -0.15 0.00 0.71 0.00 0.00 52.55 52.70 1tka s ASP 670 Cb 0.00 -0.26 -0.08 0.00 1.01 0.00 0.00 42.92 43.59 1tka s ASP 670 CO 0.00 0.24 0.62 -1.59 0.21 0.00 0.00 175.17 174.65 1tka s LYS 671 N -0.64 4.00 -0.02 8.23 0.00 -1.26 -5.05 119.74 125.00 1tka s LYS 671 Ca 0.08 0.56 0.08 0.00 0.00 0.00 0.00 55.97 56.68 1tka s LYS 671 Cb -0.08 -2.76 -0.02 0.00 0.00 0.00 0.00 37.83 34.96 1tka s LYS 671 CO -0.00 0.37 -0.25 -0.51 0.00 0.00 0.00 175.35 174.95 1tka s LEU 672 N -2.34 2.05 -0.13 2.77 1.43 -1.26 -4.97 118.68 116.22 1tka s LEU 672 Ca 0.44 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1tka s LEU 672 Cb -0.14 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 1tka s LEU 672 CO 0.20 0.30 0.00 -0.63 0.23 0.00 0.00 176.35 176.45 1tka s ILE 673 N -0.54 4.28 0.25 -0.59 1.01 -1.26 0.11 121.20 124.45 1tka s ILE 673 Ca 0.08 -0.24 -0.31 0.00 0.00 0.00 0.00 60.65 60.19 1tka s ILE 673 Cb -0.10 -2.86 -0.12 0.00 0.01 0.00 0.00 42.46 39.39 1tka s ILE 673 CO -0.00 0.53 1.67 -0.24 0.00 0.00 0.00 174.94 176.89 1tka n SER 674 N 2.98 3.97 0.19 3.58 2.88 -1.25 -4.86 113.62 121.12 1tka n SER 674 Ca -0.18 1.10 0.14 0.00 -1.33 0.00 0.00 58.87 58.61 1tka n SER 674 Cb 0.53 -1.59 0.49 0.00 -0.75 0.00 0.00 64.21 62.89 1tka n SER 674 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1tka h PRO 675 N 5.83 0.00 0.00 -1.46 0.11 -1.85 -1.84 132.00 132.80 1tka h PRO 675 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1tka h PRO 675 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1tka h PRO 675 CO 0.88 0.00 -0.05 -0.07 -0.21 0.00 0.00 178.00 178.55 1tka h LEU 676 N 0.00 0.00 -9.12 2.35 3.38 -1.88 -3.42 115.31 106.62 1tka h LEU 676 Ca 0.12 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.50 1tka h LEU 676 Cb 1.54 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.19 1tka h LEU 676 CO -0.00 0.05 0.04 -0.54 0.09 0.00 0.00 178.44 178.09 1tka s LYS 677 N -3.78 4.20 -0.00 1.13 1.02 -0.69 -5.03 119.74 116.59 1tka s LYS 677 Ca -0.00 0.52 0.03 0.00 0.02 0.00 0.00 55.97 56.54 1tka s LYS 677 Cb 0.10 -3.57 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 1tka s LYS 677 CO 0.55 -0.20 -0.05 0.15 -0.92 0.00 0.00 175.35 174.88 1tka s LYS 678 N 1.78 2.63 0.00 1.68 -0.14 -1.26 -5.00 119.74 119.42 1tka s LYS 678 Ca 0.27 -0.68 0.23 0.00 -1.36 0.00 0.00 55.97 54.43 1tka s LYS 678 Cb -0.16 -2.55 0.18 0.00 -1.68 0.00 0.00 37.83 33.62 1tka s LYS 678 CO 0.10 0.61 1.18 0.00 -0.76 0.00 0.00 175.35 176.48 1tka n ALA 679 N 1.56 4.04 -1.81 5.17 0.00 -1.26 -5.27 120.51 122.94 1tka n ALA 679 Ca -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1tka n ALA 679 Cb 0.53 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1tka n ALA 679 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47