#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pgk n LEU 2 N 0.00 0.00 -3.95 1.04 7.94 -1.26 -4.61 117.00 116.16 3pgk n LEU 2 Ca 0.00 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.59 3pgk n LEU 2 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3pgk n LEU 2 CO 0.00 0.00 -0.15 -1.20 -1.11 0.00 0.00 177.39 174.93 3pgk n SER 3 N 0.00 -2.29 0.00 1.96 7.64 -1.26 -4.89 113.62 114.77 3pgk n SER 3 Ca 0.00 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 58.99 3pgk n SER 3 Cb 0.00 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 3pgk n SER 3 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3pgk n SER 4 N -1.25 0.00 -3.39 6.43 7.64 -1.26 -4.72 113.62 117.08 3pgk n SER 4 Ca -0.10 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.52 3pgk n SER 4 Cb 0.39 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.51 3pgk n SER 4 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3pgk n LYS 5 N 0.00 1.11 0.00 1.43 5.02 -1.26 -4.83 118.16 119.63 3pgk n LYS 5 Ca 0.00 -3.69 0.00 0.00 -2.02 0.00 0.00 58.31 52.60 3pgk n LYS 5 Cb 0.00 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 3pgk n LYS 5 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3pgk n LEU 6 N 1.74 0.00 -3.60 -0.35 4.77 -1.25 -4.57 117.00 113.74 3pgk n LEU 6 Ca 0.25 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.12 3pgk n LEU 6 Cb 0.47 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 3pgk n LEU 6 CO 0.21 0.00 0.68 -0.94 -1.33 0.00 0.00 177.39 176.01 3pgk s SER 7 N -2.22 -0.48 -0.19 -1.43 1.04 -1.26 -3.69 113.70 105.47 3pgk s SER 7 Ca 0.00 0.75 -0.28 0.00 0.48 0.00 0.00 55.95 56.91 3pgk s SER 7 Cb 0.00 0.70 0.09 0.00 0.10 0.00 0.00 66.02 66.91 3pgk s SER 7 CO 0.00 -0.29 0.83 -0.69 0.98 0.00 0.00 173.24 174.07 3pgk s VAL 8 N -0.40 0.00 -0.46 5.02 1.01 -1.26 -1.57 120.40 122.74 3pgk s VAL 8 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3pgk s VAL 8 Cb -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.35 3pgk s VAL 8 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.09 3pgk n GLN 9 N 1.67 -1.81 -0.10 2.72 10.64 -1.26 -4.62 117.38 124.62 3pgk n GLN 9 Ca -0.14 0.26 -0.13 0.00 -1.83 0.00 0.00 57.00 55.15 3pgk n GLN 9 Cb 0.56 -4.54 -0.11 0.00 -0.86 0.00 0.00 30.24 25.29 3pgk n GLN 9 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3pgk n ASP 10 N -0.45 1.94 -4.70 2.61 10.43 -1.26 -4.95 116.55 120.17 3pgk n ASP 10 Ca -0.05 -0.09 -0.42 0.00 2.57 0.00 0.00 54.79 56.80 3pgk n ASP 10 Cb 0.33 -0.02 -0.03 0.00 1.84 0.00 0.00 41.12 43.23 3pgk n ASP 10 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3pgk s LEU 11 N -6.01 4.39 0.23 0.64 1.43 -1.26 -4.87 118.68 113.23 3pgk s LEU 11 Ca -0.24 2.78 0.20 0.00 -1.03 0.00 0.00 54.13 55.84 3pgk s LEU 11 Cb 0.07 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.76 3pgk s LEU 11 CO 0.55 -0.99 1.18 -2.24 0.23 0.00 0.00 176.35 175.08 3pgk h ASP 12 N 8.08 0.00 0.00 2.29 3.04 -2.01 -3.49 116.42 124.33 3pgk h ASP 12 Ca -0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 3pgk h ASP 12 Cb 1.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 3pgk h ASP 12 CO 0.95 0.25 0.00 0.18 -2.04 0.00 0.00 179.24 178.58 3pgk n LEU 13 N -2.93 0.00 -1.30 0.15 4.77 -1.26 -4.97 117.00 111.47 3pgk n LEU 13 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3pgk n LEU 13 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 3pgk n LEU 13 CO 0.40 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.75 3pgk n LYS 14 N 14.00 0.00 -3.78 3.23 4.76 -1.26 -4.54 118.16 130.56 3pgk n LYS 14 Ca 0.00 0.43 -0.29 0.00 -2.87 0.00 0.00 58.31 55.58 3pgk n LYS 14 Cb 0.00 -0.86 -0.02 0.00 -1.84 0.00 0.00 35.03 32.31 3pgk n LYS 14 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3pgk n ASP 15 N 0.00 -3.43 -4.85 4.39 2.03 -0.88 -4.92 116.55 108.89 3pgk n ASP 15 Ca 0.00 -0.68 -0.23 0.00 0.52 0.00 0.00 54.79 54.40 3pgk n ASP 15 Cb 0.00 -2.82 -0.03 0.00 -0.72 0.00 0.00 41.12 37.54 3pgk n ASP 15 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3pgk s LYS 16 N -6.45 2.39 -0.23 -0.67 1.02 -0.83 -4.82 119.74 110.15 3pgk s LYS 16 Ca 0.57 -1.72 -0.02 0.00 0.02 0.00 0.00 55.97 54.82 3pgk s LYS 16 Cb -0.31 -2.22 0.02 0.00 -0.52 0.00 0.00 37.83 34.80 3pgk s LYS 16 CO 0.70 -0.28 -0.08 1.03 -0.92 0.00 0.00 175.35 175.79 3pgk s ARG 17 N -4.12 2.98 -0.17 1.68 0.52 -1.26 -2.85 118.95 115.73 3pgk s ARG 17 Ca 0.43 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.78 3pgk s ARG 17 Cb -0.01 -2.91 0.01 0.00 0.52 0.00 0.00 34.95 32.56 3pgk s ARG 17 CO 0.25 -0.32 -0.18 0.14 0.02 0.00 0.00 175.30 175.21 3pgk s VAL 18 N 1.35 2.28 -0.19 3.52 -7.23 -1.26 0.49 120.40 119.35 3pgk s VAL 18 Ca 0.02 -0.88 -0.01 0.00 -1.81 0.00 0.00 61.98 59.31 3pgk s VAL 18 Cb -0.15 -1.96 0.01 0.00 0.56 0.00 0.00 36.38 34.84 3pgk s VAL 18 CO -0.06 0.53 -0.14 0.12 -0.31 0.00 0.00 175.10 175.24 3pgk s PHE 19 N 1.15 2.84 -0.20 2.82 5.36 -1.01 -0.88 117.98 128.07 3pgk s PHE 19 Ca 0.01 -1.32 -0.01 0.00 -0.96 0.00 0.00 56.93 54.65 3pgk s PHE 19 Cb -0.14 -1.98 0.01 0.00 -0.34 0.00 0.00 43.02 40.57 3pgk s PHE 19 CO -0.08 -0.68 -0.13 0.96 -1.46 0.00 0.00 175.22 173.83 3pgk s ILE 20 N 1.30 2.59 -0.97 3.12 -4.36 0.20 -1.61 121.20 121.47 3pgk s ILE 20 Ca 0.04 -0.78 -0.17 0.00 -0.26 0.00 0.00 60.65 59.48 3pgk s ILE 20 Cb -0.14 -2.14 0.16 0.00 1.25 0.00 0.00 42.46 41.59 3pgk s ILE 20 CO -0.08 0.48 1.13 -0.60 0.24 0.00 0.00 174.94 176.11 3pgk s ARG 21 N 1.36 3.71 0.00 0.37 6.06 -0.45 -0.85 118.95 129.16 3pgk s ARG 21 Ca 0.05 -2.06 0.00 0.00 -2.50 0.00 0.00 55.73 51.22 3pgk s ARG 21 Cb -0.14 -4.86 0.00 0.00 0.06 0.00 0.00 34.95 30.01 3pgk s ARG 21 CO -0.09 -1.68 0.00 1.33 -2.50 0.00 0.00 175.30 172.36 3pgk n VAL 22 N 5.02 0.00 -3.43 7.11 0.24 -1.26 -1.62 118.33 124.39 3pgk n VAL 22 Ca 0.25 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.11 3pgk n VAL 22 Cb 0.47 -1.38 -0.03 0.00 -1.47 0.00 0.00 33.84 31.44 3pgk n VAL 22 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3pgk s ASP 23 N -1.00 6.66 -0.70 -1.34 -0.00 -1.26 -4.73 116.67 114.30 3pgk s ASP 23 Ca 0.00 -3.20 0.05 0.00 -0.00 0.00 0.00 52.55 49.40 3pgk s ASP 23 Cb 0.00 -2.12 0.19 0.00 -0.00 0.00 0.00 42.92 40.99 3pgk s ASP 23 CO 0.00 -0.38 0.56 0.49 -0.00 0.00 0.00 175.17 175.83 3pgk n PHE 24 N 3.19 3.37 -3.75 4.23 3.72 -1.26 -3.91 117.46 123.06 3pgk n PHE 24 Ca 0.18 -4.28 -0.15 0.00 -0.05 0.00 0.00 57.45 53.15 3pgk n PHE 24 Cb 0.42 -0.63 -0.15 0.00 -0.94 0.00 0.00 39.48 38.17 3pgk n PHE 24 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3pgk s ASN 25 N -1.65 0.06 0.31 4.37 0.01 -1.20 -2.72 114.94 114.13 3pgk s ASN 25 Ca 0.28 0.21 -0.07 0.00 -0.71 0.00 0.00 52.86 52.57 3pgk s ASN 25 Cb -0.01 0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.75 3pgk s ASN 25 CO -0.14 -0.15 0.48 0.68 -1.51 0.00 0.00 177.10 176.46 3pgk s VAL 26 N 1.27 0.00 0.39 1.60 -7.23 -1.26 -4.85 120.40 110.31 3pgk s VAL 26 Ca -0.08 -1.52 -0.06 0.00 -1.81 0.00 0.00 61.98 58.51 3pgk s VAL 26 Cb -0.12 -2.51 0.09 0.00 0.56 0.00 0.00 36.38 34.40 3pgk s VAL 26 CO -0.05 0.00 0.21 -2.65 -0.31 0.00 0.00 175.10 172.30 3pgk n PRO 27 N -0.49 -1.95 -0.68 4.82 -0.01 -1.26 -4.95 135.00 130.50 3pgk n PRO 27 Ca -0.01 -0.35 0.04 0.00 -0.01 0.00 0.00 63.50 63.17 3pgk n PRO 27 Cb 0.62 -0.52 0.06 0.00 -0.01 0.00 0.00 33.50 33.65 3pgk n PRO 27 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 175.50 176.96 3pgk n LEU 28 N 0.00 1.03 -4.80 2.45 -0.00 -1.26 -4.79 117.00 109.63 3pgk n LEU 28 Ca 0.03 -2.00 -0.33 0.00 -0.00 0.00 0.00 56.01 53.72 3pgk n LEU 28 Cb 0.15 -0.15 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 3pgk n LEU 28 CO 0.10 0.54 0.73 -1.81 -0.00 0.00 0.00 177.39 176.94 3pgk s ASP 29 N -1.88 5.76 0.00 1.45 -0.00 -1.26 -4.78 116.67 115.97 3pgk s ASP 29 Ca 0.19 1.89 0.00 0.00 -0.00 0.00 0.00 52.55 54.63 3pgk s ASP 29 Cb 0.20 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.57 3pgk s ASP 29 CO -0.04 -1.18 0.00 0.61 -0.00 0.00 0.00 175.17 174.55 3pgk n GLY 30 N -0.72 0.00 0.00 0.21 0.00 -1.26 -2.96 105.19 100.46 3pgk n GLY 30 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3pgk n GLY 30 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3pgk n LYS 31 N 0.00 0.00 -1.39 1.61 2.85 -1.26 -4.98 118.16 114.99 3pgk n LYS 31 Ca 0.00 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.02 3pgk n LYS 31 Cb 0.00 -0.39 -0.20 0.00 -0.65 0.00 0.00 35.03 33.79 3pgk n LYS 31 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3pgk n LYS 32 N -1.01 0.00 -2.25 -1.58 4.76 -1.15 -4.73 118.16 112.20 3pgk n LYS 32 Ca 0.00 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.05 3pgk n LYS 32 Cb 0.00 -1.02 -0.03 0.00 -1.84 0.00 0.00 35.03 32.14 3pgk n LYS 32 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3pgk s ILE 33 N 1.79 3.51 -0.89 -0.18 -4.36 -1.26 -4.23 121.20 115.58 3pgk s ILE 33 Ca 1.23 0.26 -0.25 0.00 -0.26 0.00 0.00 60.65 61.64 3pgk s ILE 33 Cb -0.87 -4.34 -0.02 0.00 1.25 0.00 0.00 42.46 38.48 3pgk s ILE 33 CO 0.51 -1.30 1.82 -0.89 0.24 0.00 0.00 174.94 175.31 3pgk s THR 34 N 7.72 3.54 0.00 8.37 2.01 -1.26 -4.57 115.64 131.45 3pgk s THR 34 Ca 0.54 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.19 3pgk s THR 34 Cb -0.11 -4.24 0.00 0.00 0.01 0.00 0.00 72.50 68.17 3pgk s THR 34 CO 0.18 -1.17 0.00 -1.20 -0.69 0.00 0.00 174.62 171.74 3pgk n SER 35 N 12.67 0.00 -0.37 3.53 7.64 -1.26 -3.97 113.62 131.85 3pgk n SER 35 Ca 0.35 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.26 3pgk n SER 35 Cb 0.48 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.77 3pgk n SER 35 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3pgk n ASN 36 N 0.00 2.53 0.00 6.43 6.94 -1.26 -4.73 115.26 125.17 3pgk n ASN 36 Ca 0.00 -2.00 -0.10 0.00 -0.02 0.00 0.00 54.58 52.46 3pgk n ASN 36 Cb 0.00 -0.13 -0.04 0.00 -2.36 0.00 0.00 39.78 37.25 3pgk n ASN 36 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 3pgk h GLN 37 N 1.17 -0.07 -0.18 -3.83 5.75 -1.97 -1.63 115.11 114.35 3pgk h GLN 37 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3pgk h GLN 37 Cb 0.63 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 3pgk h GLN 37 CO 0.00 -0.04 0.11 0.00 -2.65 0.00 0.00 178.83 176.25 3pgk h ARG 38 N -0.07 0.25 -0.79 1.69 3.08 -1.86 -3.12 114.38 113.56 3pgk h ARG 38 Ca 0.06 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.12 3pgk h ARG 38 Cb 0.16 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 3pgk h ARG 38 CO -0.15 0.20 0.51 0.97 -1.07 0.00 0.00 179.97 180.43 3pgk h ILE 39 N 0.22 1.14 -0.64 2.04 -0.00 -1.63 -3.24 117.51 115.40 3pgk h ILE 39 Ca 0.07 -0.34 0.12 0.00 -0.00 0.00 0.00 64.86 64.71 3pgk h ILE 39 Cb 0.02 0.05 -0.09 0.00 -0.00 0.00 0.00 36.82 36.80 3pgk h ILE 39 CO -0.01 0.18 0.15 0.58 -0.00 0.00 0.00 178.15 179.05 3pgk h VAL 40 N 1.00 0.62 -0.71 2.19 2.07 -1.23 -1.35 116.25 118.83 3pgk h VAL 40 Ca 0.31 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.79 3pgk h VAL 40 Cb -0.03 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.00 3pgk h VAL 40 CO -0.10 0.05 0.40 0.00 0.02 0.00 0.00 177.57 177.95 3pgk h ALA 41 N 1.51 0.96 -1.00 1.67 0.00 -1.67 -2.21 119.26 118.52 3pgk h ALA 41 Ca 0.34 0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.49 3pgk h ALA 41 Cb 0.52 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.06 3pgk h ALA 41 CO -0.42 0.09 0.59 0.00 0.00 0.00 0.00 179.25 179.51 3pgk h ALA 42 N 1.37 1.73 -0.87 0.00 0.00 -1.38 -2.17 119.26 117.93 3pgk h ALA 42 Ca 0.32 0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.51 3pgk h ALA 42 Cb 0.20 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 17.81 3pgk h ALA 42 CO -0.19 -0.18 -0.22 -0.07 0.00 0.00 0.00 179.25 178.59 3pgk h LEU 43 N 0.65 -0.82 0.37 0.00 -0.00 -1.38 1.33 115.31 115.45 3pgk h LEU 43 Ca 0.62 0.26 -0.01 0.00 -0.00 0.00 0.00 57.88 58.75 3pgk h LEU 43 Cb 1.09 0.54 -0.01 0.00 -0.00 0.00 0.00 40.66 42.28 3pgk h LEU 43 CO -0.44 -0.29 -0.29 -0.65 -0.00 0.00 0.00 178.44 176.77 3pgk h PRO 44 N -0.00 -0.63 -0.13 1.13 0.10 -1.57 0.25 132.00 131.14 3pgk h PRO 44 Ca 0.42 0.04 -0.02 0.00 0.10 0.00 0.00 66.00 66.54 3pgk h PRO 44 Cb 0.64 0.14 -0.00 0.00 0.10 0.00 0.00 31.00 31.88 3pgk h PRO 44 CO -0.90 -0.42 -0.00 0.00 0.10 0.00 0.00 178.00 176.78 3pgk h THR 45 N -0.66 1.25 0.08 -1.15 1.03 -1.68 -2.48 112.91 109.31 3pgk h THR 45 Ca -0.03 -0.82 0.02 0.00 -0.01 0.00 0.00 66.41 65.56 3pgk h THR 45 Cb 0.57 1.54 -0.03 0.00 -1.07 0.00 0.00 68.15 69.16 3pgk h THR 45 CO -0.01 0.24 -0.21 -0.29 -0.01 0.00 0.00 175.52 175.25 3pgk h ILE 46 N -0.03 0.53 -0.11 0.00 -0.00 0.20 -0.29 117.51 117.81 3pgk h ILE 46 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.89 3pgk h ILE 46 Cb 0.37 0.53 -0.00 0.00 -0.00 0.00 0.00 36.82 37.71 3pgk h ILE 46 CO 0.01 0.00 0.03 0.11 -0.00 0.00 0.00 178.15 178.30 3pgk h LYS 47 N -0.38 0.17 0.14 2.19 1.57 -0.62 1.23 116.57 120.87 3pgk h LYS 47 Ca 0.03 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3pgk h LYS 47 Cb 0.41 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3pgk h LYS 47 CO -0.13 0.33 -0.27 -0.92 -0.57 0.00 0.00 179.45 177.88 3pgk h TYR 48 N -0.02 -0.74 -0.34 -1.35 5.03 -1.17 -1.67 116.97 116.71 3pgk h TYR 48 Ca 0.03 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.30 3pgk h TYR 48 Cb 0.23 0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.81 3pgk h TYR 48 CO 0.00 -0.38 -0.00 0.28 -1.32 0.00 0.00 178.16 176.74 3pgk h VAL 49 N -0.50 1.26 -0.89 1.81 2.07 -1.11 0.11 116.25 119.00 3pgk h VAL 49 Ca 0.02 -0.97 0.20 0.00 0.82 0.00 0.00 66.70 66.77 3pgk h VAL 49 Cb 0.52 1.21 -0.12 0.00 -1.52 0.00 0.00 31.29 31.38 3pgk h VAL 49 CO -0.14 0.32 0.41 0.25 0.02 0.00 0.00 177.57 178.43 3pgk h LEU 50 N 0.42 0.40 0.00 2.57 6.46 0.22 -2.74 115.31 122.63 3pgk h LEU 50 Ca 0.10 0.14 -0.32 0.00 -0.12 0.00 0.00 57.88 57.67 3pgk h LEU 50 Cb 0.46 0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 40.42 3pgk h LEU 50 CO 0.02 0.06 -2.22 -0.62 -0.62 0.00 0.00 178.44 175.06 3pgk n GLU 51 N -4.99 0.90 -0.05 1.25 1.02 -0.68 -4.57 120.64 113.52 3pgk n GLU 51 Ca 0.21 0.05 0.02 0.00 -0.02 0.00 0.00 57.16 57.42 3pgk n GLU 51 Cb 0.60 -1.44 0.04 0.00 -0.02 0.00 0.00 31.44 30.62 3pgk n GLU 51 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3pgk n HIS 52 N -2.86 0.09 0.00 -0.32 -0.00 0.39 -4.59 115.22 107.93 3pgk n HIS 52 Ca -0.33 0.17 0.00 0.00 0.46 0.00 0.00 57.72 58.02 3pgk n HIS 52 Cb 1.00 -0.61 0.00 0.00 -0.12 0.00 0.00 29.99 30.26 3pgk n HIS 52 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 3pgk n HIS 53 N -3.90 0.00 0.00 1.57 8.25 -1.25 -4.88 115.22 115.01 3pgk n HIS 53 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3pgk n HIS 53 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3pgk n HIS 53 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3pgk n PRO 54 N 0.00 0.00 0.00 -0.41 -0.05 -1.26 -2.08 135.00 131.20 3pgk n PRO 54 Ca 0.00 0.38 0.00 0.00 -0.05 0.00 0.00 63.50 63.83 3pgk n PRO 54 Cb 0.00 -1.32 0.00 0.00 -0.05 0.00 0.00 33.50 32.13 3pgk n PRO 54 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 175.50 173.32 3pgk n ARG 55 N -1.63 0.00 0.00 0.54 0.00 -1.13 -1.96 116.66 112.48 3pgk n ARG 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3pgk n ARG 55 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3pgk n ARG 55 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3pgk n TYR 56 N 0.00 0.00 0.00 -0.14 0.53 -1.24 -3.15 117.16 113.16 3pgk n TYR 56 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3pgk n TYR 56 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 3pgk n TYR 56 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 3pgk n VAL 57 N 0.00 0.00 -3.99 -0.72 0.31 -0.84 -3.20 118.33 109.90 3pgk n VAL 57 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 3pgk n VAL 57 Cb 0.00 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 32.78 3pgk n VAL 57 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3pgk s VAL 58 N 0.00 2.70 -0.29 2.52 1.01 -0.06 0.14 120.40 126.42 3pgk s VAL 58 Ca 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 61.98 60.78 3pgk s VAL 58 Cb 0.00 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 34.00 3pgk s VAL 58 CO 0.00 0.16 0.02 -0.76 0.00 0.00 0.00 175.10 174.52 3pgk s LEU 59 N 1.28 3.71 0.80 3.92 1.43 0.66 0.60 118.68 131.07 3pgk s LEU 59 Ca -0.01 -0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 52.04 3pgk s LEU 59 Cb -0.17 -1.78 0.07 0.00 0.03 0.00 0.00 46.19 44.34 3pgk s LEU 59 CO -0.05 -0.20 1.09 0.00 0.23 0.00 0.00 176.35 177.42 3pgk s ALA 60 N 1.38 2.15 0.27 4.21 0.00 -0.03 -2.25 121.76 127.49 3pgk s ALA 60 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3pgk s ALA 60 Cb -0.18 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3pgk s ALA 60 CO -0.00 -1.80 0.00 -1.13 0.00 0.00 0.00 175.76 172.82 3pgk n SER 61 N -3.51 0.00 0.00 0.00 3.41 -1.21 -4.32 113.62 108.00 3pgk n SER 61 Ca 0.07 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3pgk n SER 61 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3pgk n SER 61 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3pgk n HIS 62 N -0.07 0.00 -3.15 7.33 -0.00 -1.10 -4.26 115.22 113.97 3pgk n HIS 62 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.78 3pgk n HIS 62 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 29.98 3pgk n HIS 62 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.34 175.86 3pgk s LEU 63 N 0.00 -0.16 0.00 0.27 0.05 -1.22 -3.23 118.68 114.39 3pgk s LEU 63 Ca 0.00 0.04 0.00 0.00 0.05 0.00 0.00 54.13 54.22 3pgk s LEU 63 Cb 0.00 1.11 0.00 0.00 -2.05 0.00 0.00 46.19 45.25 3pgk s LEU 63 CO 0.00 -0.03 0.00 0.61 -0.55 0.00 0.00 176.35 176.38 3pgk n GLY 64 N 5.20 1.91 2.28 -3.48 0.00 -1.26 -4.87 105.19 104.97 3pgk n GLY 64 Ca 0.04 -1.90 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 3pgk n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3pgk n ARG 65 N -1.90 1.25 -1.48 1.61 1.85 -1.26 -4.97 116.66 111.75 3pgk n ARG 65 Ca 0.00 -3.61 -0.12 0.00 -1.00 0.00 0.00 57.85 53.11 3pgk n ARG 65 Cb 0.00 -1.57 -0.10 0.00 -1.05 0.00 0.00 32.46 29.74 3pgk n ARG 65 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3pgk n PRO 66 N 0.92 0.20 0.00 2.89 -0.01 -1.26 -4.71 135.00 133.03 3pgk n PRO 66 Ca 0.24 -1.10 0.00 0.00 -0.01 0.00 0.00 63.50 62.63 3pgk n PRO 66 Cb 0.53 -3.24 0.00 0.00 -0.01 0.00 0.00 33.50 30.79 3pgk n PRO 66 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 175.50 173.78 3pgk n ASN 67 N 16.39 0.00 -4.57 2.55 4.05 -1.26 -4.78 115.26 127.64 3pgk n ASN 67 Ca 0.39 0.00 -0.42 0.00 0.45 0.00 0.00 54.58 55.00 3pgk n ASN 67 Cb 0.44 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.38 3pgk n ASN 67 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 3pgk s GLY 68 N 0.00 1.75 0.00 8.20 0.00 -1.26 -4.42 107.32 111.59 3pgk s GLY 68 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.84 3pgk s GLY 68 CO 0.00 1.48 0.00 1.18 0.00 0.00 0.00 173.10 175.76 3pgk n GLU 69 N 6.04 0.00 0.00 2.90 -0.58 -1.26 -5.09 120.64 122.65 3pgk n GLU 69 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3pgk n GLU 69 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.36 3pgk n GLU 69 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3pgk n ARG 70 N 0.00 0.00 0.00 3.49 1.74 -1.26 -4.81 116.66 115.82 3pgk n ARG 70 Ca 0.00 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.22 3pgk n ARG 70 Cb 0.00 0.00 0.54 0.00 -1.02 0.00 0.00 32.46 31.98 3pgk n ARG 70 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3pgk n ASN 71 N 0.00 0.70 0.00 0.55 3.02 -1.26 -4.77 115.26 113.50 3pgk n ASN 71 Ca 0.00 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 3pgk n ASN 71 Cb 0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3pgk n ASN 71 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3pgk n GLU 72 N -0.79 0.00 0.00 3.52 0.28 -1.26 -4.88 120.64 117.51 3pgk n GLU 72 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 3pgk n GLU 72 Cb 0.30 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.17 3pgk n GLU 72 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3pgk n LYS 73 N 0.00 0.00 -3.73 3.44 5.02 -1.26 -4.66 118.16 116.97 3pgk n LYS 73 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 3pgk n LYS 73 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 3pgk n LYS 73 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3pgk n TYR 74 N 0.00 -2.40 0.00 2.13 9.36 -1.26 -4.97 117.16 120.02 3pgk n TYR 74 Ca 0.00 0.93 0.00 0.00 3.32 0.00 0.00 57.90 62.15 3pgk n TYR 74 Cb 0.00 -4.50 0.00 0.00 -0.63 0.00 0.00 39.34 34.21 3pgk n TYR 74 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3pgk n SER 75 N -2.96 0.00 -1.74 2.98 2.88 -1.26 -5.03 113.62 108.49 3pgk n SER 75 Ca -0.07 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.47 3pgk n SER 75 Cb 0.58 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.05 3pgk n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3pgk n LEU 76 N 0.00 0.26 -0.03 2.46 -0.00 -1.26 -4.95 117.00 113.48 3pgk n LEU 76 Ca 0.00 -2.33 -0.09 0.00 -0.00 0.00 0.00 56.01 53.59 3pgk n LEU 76 Cb 0.00 0.10 -0.03 0.00 -0.00 0.00 0.00 43.42 43.48 3pgk n LEU 76 CO 0.00 1.02 0.88 0.00 -0.00 0.00 0.00 177.39 179.28 3pgk h ALA 77 N 1.02 0.17 -0.70 1.47 0.00 -1.98 -2.61 119.26 116.62 3pgk h ALA 77 Ca -0.33 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.67 3pgk h ALA 77 Cb 1.58 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 3pgk h ALA 77 CO -0.03 -0.41 0.40 -1.35 0.00 0.00 0.00 179.25 177.86 3pgk h PRO 78 N 0.09 0.72 -0.61 0.00 0.11 -1.92 -2.47 132.00 127.92 3pgk h PRO 78 Ca 0.08 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 66.23 3pgk h PRO 78 Cb 0.08 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 30.96 3pgk h PRO 78 CO -0.11 0.48 0.25 -0.24 -0.21 0.00 0.00 178.00 178.17 3pgk h VAL 79 N 0.74 0.81 -0.93 3.15 3.04 -1.77 0.29 116.25 121.58 3pgk h VAL 79 Ca 0.31 -0.16 0.18 0.00 -1.01 0.00 0.00 66.70 66.02 3pgk h VAL 79 Cb 0.17 0.32 -0.10 0.00 -2.01 0.00 0.00 31.29 29.66 3pgk h VAL 79 CO -0.17 0.08 0.52 0.00 -1.01 0.00 0.00 177.57 176.99 3pgk h ALA 80 N 1.40 1.49 -0.33 3.17 0.00 -1.11 0.96 119.26 124.83 3pgk h ALA 80 Ca 0.30 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.35 3pgk h ALA 80 Cb 0.34 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3pgk h ALA 80 CO -0.28 -0.09 0.06 -0.22 0.00 0.00 0.00 179.25 178.72 3pgk h LYS 81 N 0.67 0.16 -0.28 0.00 3.64 -0.29 0.93 116.57 121.41 3pgk h LYS 81 Ca 0.53 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.93 3pgk h LYS 81 Cb 0.81 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 3pgk h LYS 81 CO -0.39 0.11 0.11 1.49 -2.27 0.00 0.00 179.45 178.50 3pgk h GLU 82 N 0.17 0.24 0.04 1.90 4.57 0.18 0.31 114.58 121.99 3pgk h GLU 82 Ca 0.16 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3pgk h GLU 82 Cb 0.18 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 3pgk h GLU 82 CO -0.22 0.16 -0.02 1.25 -1.18 0.00 0.00 179.01 179.00 3pgk h LEU 83 N 0.25 -0.04 -0.41 1.64 5.85 0.59 -1.95 115.31 121.24 3pgk h LEU 83 Ca 0.12 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3pgk h LEU 83 Cb 0.08 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3pgk h LEU 83 CO -0.11 0.00 0.18 -0.61 -0.34 0.00 0.00 178.44 177.56 3pgk h GLN 84 N -0.08 0.35 0.07 1.25 4.15 0.11 0.90 115.11 121.86 3pgk h GLN 84 Ca -0.01 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.41 3pgk h GLN 84 Cb 0.07 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 3pgk h GLN 84 CO 0.01 0.23 -0.13 1.03 -1.93 0.00 0.00 178.83 178.04 3pgk h SER 85 N 0.36 -0.36 0.54 -0.69 0.87 -0.82 2.18 113.55 115.64 3pgk h SER 85 Ca 0.18 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 3pgk h SER 85 Cb 0.12 0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.23 3pgk h SER 85 CO -0.15 -0.19 -0.26 -0.07 -0.53 0.00 0.00 176.83 175.62 3pgk h LEU 86 N -0.26 -0.62 0.17 2.23 4.07 -1.03 -3.32 115.31 116.55 3pgk h LEU 86 Ca 0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 3pgk h LEU 86 Cb 0.28 0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.18 3pgk h LEU 86 CO -0.08 -0.34 -0.08 -0.07 -1.08 0.00 0.00 178.44 176.79 3pgk h LEU 87 N -0.88 -0.19 2.33 1.67 3.38 -0.78 -3.48 115.31 117.36 3pgk h LEU 87 Ca -0.07 -0.25 -0.33 0.00 0.09 0.00 0.00 57.88 57.32 3pgk h LEU 87 Cb 0.62 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3pgk h LEU 87 CO 0.12 0.16 -0.42 0.61 0.09 0.00 0.00 178.44 179.01 3pgk n GLY 88 N -0.25 -0.29 0.01 0.83 0.00 0.74 -4.88 105.19 101.34 3pgk n GLY 88 Ca -0.09 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.75 3pgk n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3pgk n LYS 89 N -2.58 1.11 0.00 1.61 4.81 -1.26 -5.08 118.16 116.78 3pgk n LYS 89 Ca -0.19 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.21 3pgk n LYS 89 Cb 0.65 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 34.57 3pgk n LYS 89 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3pgk n ASP 90 N -1.84 0.00 -4.12 3.14 4.64 -1.26 -5.03 116.55 112.08 3pgk n ASP 90 Ca -0.03 0.00 -0.31 0.00 -1.38 0.00 0.00 54.79 53.07 3pgk n ASP 90 Cb 0.30 0.00 -0.17 0.00 -1.04 0.00 0.00 41.12 40.21 3pgk n ASP 90 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3pgk s VAL 91 N 0.00 1.82 -0.17 5.18 1.01 -1.26 -4.00 120.40 122.98 3pgk s VAL 91 Ca 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 3pgk s VAL 91 Cb 0.00 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 3pgk s VAL 91 CO 0.00 0.50 -0.10 -0.89 0.00 0.00 0.00 175.10 174.62 3pgk s THR 92 N 0.88 3.13 -0.28 3.92 2.01 -0.87 -4.96 115.64 119.48 3pgk s THR 92 Ca -0.07 -0.60 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 3pgk s THR 92 Cb -0.15 -2.37 0.02 0.00 0.01 0.00 0.00 72.50 70.01 3pgk s THR 92 CO -0.02 0.48 0.02 0.72 -0.69 0.00 0.00 174.62 175.14 3pgk s PHE 93 N 0.88 3.13 0.00 4.92 -0.71 -1.26 -2.79 117.98 122.14 3pgk s PHE 93 Ca -0.03 -1.28 0.00 0.00 -1.04 0.00 0.00 56.93 54.58 3pgk s PHE 93 Cb -0.15 -2.17 0.00 0.00 -1.21 0.00 0.00 43.02 39.49 3pgk s PHE 93 CO 0.00 -0.66 0.00 1.47 -1.34 0.00 0.00 175.22 174.69 3pgk n LEU 94 N 4.77 0.00 -4.54 -1.99 -0.00 -1.26 -5.03 117.00 108.96 3pgk n LEU 94 Ca -0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.56 3pgk n LEU 94 Cb 0.47 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.78 3pgk n LEU 94 CO 0.29 0.00 -0.44 0.21 -0.00 0.00 0.00 177.39 177.45 3pgk s ASN 95 N 0.41 4.21 0.28 1.45 3.84 -1.26 -4.82 114.94 119.05 3pgk s ASN 95 Ca 0.00 -0.38 0.26 0.00 0.21 0.00 0.00 52.86 52.95 3pgk s ASN 95 Cb 0.00 -0.78 0.85 0.00 -0.55 0.00 0.00 41.25 40.77 3pgk s ASN 95 CO 0.00 0.22 1.76 -2.24 -2.79 0.00 0.00 177.10 174.04 3pgk h ASP 96 N 4.03 0.00 0.00 -4.21 2.03 -1.85 -3.39 116.42 113.03 3pgk h ASP 96 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 3pgk h ASP 96 Cb 1.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 3pgk h ASP 96 CO 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.71 3pgk n VAL 98 N 0.00 0.00 0.00 0.00 0.24 -1.26 -4.70 118.33 112.61 3pgk n VAL 98 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3pgk n VAL 98 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3pgk n VAL 98 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3pgk n GLY 99 N 5.00 2.18 0.37 7.63 0.00 -1.26 -3.92 105.19 115.20 3pgk n GLY 99 Ca 0.00 -1.34 0.15 0.00 0.00 0.00 0.00 46.02 44.84 3pgk n GLY 99 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3pgk h PRO 100 N 0.00 0.62 -0.96 1.61 0.10 -2.02 6.60 132.00 137.96 3pgk h PRO 100 Ca 0.00 -0.04 0.13 0.00 0.10 0.00 0.00 66.00 66.19 3pgk h PRO 100 Cb 0.00 -0.14 -0.09 0.00 0.10 0.00 0.00 31.00 30.87 3pgk h PRO 100 CO 0.00 0.41 0.58 0.93 0.10 0.00 0.00 178.00 180.02 3pgk h GLU 101 N 0.64 0.87 0.22 1.05 3.07 -2.00 -3.20 114.58 115.23 3pgk h GLU 101 Ca 0.55 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 59.36 3pgk h GLU 101 Cb 1.03 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.72 3pgk h GLU 101 CO -0.31 0.58 -0.26 0.28 -1.40 0.00 0.00 179.01 177.89 3pgk h VAL 102 N 0.90 0.43 -0.82 3.13 2.07 1.37 -0.49 116.25 122.84 3pgk h VAL 102 Ca 0.49 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.05 3pgk h VAL 102 Cb 0.53 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 3pgk h VAL 102 CO -0.28 0.00 0.51 -0.08 0.02 0.00 0.00 177.57 177.74 3pgk h GLU 103 N -0.53 0.94 -0.10 1.57 4.22 -1.57 -2.73 114.58 116.38 3pgk h GLU 103 Ca 0.00 -0.06 0.02 0.00 0.08 0.00 0.00 59.36 59.41 3pgk h GLU 103 Cb 0.51 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3pgk h GLU 103 CO -0.08 0.62 -0.03 0.00 -2.18 0.00 0.00 179.01 177.33 3pgk h ALA 104 N 1.36 0.06 -0.00 2.92 0.00 -1.44 -3.27 119.26 118.89 3pgk h ALA 104 Ca 0.34 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.30 3pgk h ALA 104 Cb 0.08 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3pgk h ALA 104 CO -0.14 -0.50 -0.04 0.00 0.00 0.00 0.00 179.25 178.58 3pgk h ALA 105 N 1.08 -0.04 -0.26 0.00 0.00 -0.77 -1.00 119.26 118.28 3pgk h ALA 105 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3pgk h ALA 105 Cb 0.09 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3pgk h ALA 105 CO -0.11 -0.53 -0.02 0.28 0.00 0.00 0.00 179.25 178.86 3pgk h VAL 106 N -0.06 0.79 0.04 0.00 2.07 -1.63 -2.48 116.25 114.97 3pgk h VAL 106 Ca 0.02 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3pgk h VAL 106 Cb 0.08 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3pgk h VAL 106 CO -0.04 0.01 -0.02 0.50 0.02 0.00 0.00 177.57 178.04 3pgk h LYS 107 N 0.05 -0.06 0.00 1.57 3.64 -1.58 -3.37 116.57 116.83 3pgk h LYS 107 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3pgk h LYS 107 Cb 0.17 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3pgk h LYS 107 CO -0.23 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 176.95 3pgk n ALA 108 N -2.14 0.00 -2.08 5.00 0.00 -0.39 -4.31 120.51 116.60 3pgk n ALA 108 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 3pgk n ALA 108 Cb 0.07 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 3pgk n ALA 108 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3pgk s SER 109 N -2.89 5.98 0.00 0.00 0.01 -1.20 -4.99 113.70 110.61 3pgk s SER 109 Ca 0.00 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.44 3pgk s SER 109 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 3pgk s SER 109 CO 0.00 -1.66 0.00 0.00 0.41 0.00 0.00 173.24 171.99 3pgk n ALA 110 N 9.99 0.00 -1.75 1.44 0.00 -1.26 -4.55 120.51 124.38 3pgk n ALA 110 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 3pgk n ALA 110 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 3pgk n ALA 110 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3pgk n PRO 111 N 0.00 2.76 -3.72 0.00 -0.02 -1.19 -4.66 135.00 128.17 3pgk n PRO 111 Ca 0.00 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3pgk n PRO 111 Cb 0.00 -2.79 -0.00 0.00 -0.02 0.00 0.00 33.50 30.69 3pgk n PRO 111 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3pgk s GLY 112 N 0.61 -0.29 -0.20 -1.23 0.00 -1.19 -5.02 107.32 100.00 3pgk s GLY 112 Ca 0.65 0.40 0.01 0.00 0.00 0.00 0.00 44.72 45.78 3pgk s GLY 112 CO 0.46 1.19 -0.13 -1.35 0.00 0.00 0.00 173.10 173.26 3pgk s SER 113 N -3.15 3.42 -0.17 1.64 1.04 -1.23 -3.15 113.70 112.10 3pgk s SER 113 Ca 0.17 -0.87 -0.00 0.00 0.48 0.00 0.00 55.95 55.73 3pgk s SER 113 Cb 0.02 -1.33 0.00 0.00 0.10 0.00 0.00 66.02 64.81 3pgk s SER 113 CO -0.02 -0.11 -0.14 -0.69 0.98 0.00 0.00 173.24 173.26 3pgk s VAL 114 N 1.34 2.66 -0.27 5.02 1.01 0.37 -2.04 120.40 128.48 3pgk s VAL 114 Ca -0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 3pgk s VAL 114 Cb -0.16 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.10 3pgk s VAL 114 CO -0.09 0.50 0.03 0.27 0.00 0.00 0.00 175.10 175.81 3pgk s ILE 115 N 1.02 3.59 -0.10 2.22 -0.00 -1.12 0.24 121.20 127.05 3pgk s ILE 115 Ca -0.01 -0.77 -0.17 0.00 -0.00 0.00 0.00 60.65 59.69 3pgk s ILE 115 Cb -0.15 -2.83 0.04 0.00 -0.00 0.00 0.00 42.46 39.53 3pgk s ILE 115 CO -0.03 0.15 0.43 -1.48 -0.00 0.00 0.00 174.94 174.00 3pgk s LEU 116 N 1.44 0.37 0.00 0.37 0.05 -0.96 -4.13 118.68 115.83 3pgk s LEU 116 Ca 0.02 0.59 0.00 0.00 0.05 0.00 0.00 54.13 54.79 3pgk s LEU 116 Cb -0.17 1.57 0.00 0.00 -2.05 0.00 0.00 46.19 45.54 3pgk s LEU 116 CO -0.00 -0.32 0.00 -0.11 -0.55 0.00 0.00 176.35 175.37 3pgk n LEU 117 N 2.04 0.00 0.00 1.48 7.94 -1.26 -3.31 117.00 123.88 3pgk n LEU 117 Ca -0.17 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 3pgk n LEU 117 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 3pgk n LEU 117 CO 0.17 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.83 3pgk n GLU 118 N 0.00 0.00 -2.72 1.96 1.02 -1.26 -4.02 120.64 115.62 3pgk n GLU 118 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 3pgk n GLU 118 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.52 3pgk n GLU 118 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3pgk n ASN 119 N 4.61 -1.42 -0.09 1.62 3.02 -1.26 -4.50 115.26 117.24 3pgk n ASN 119 Ca 0.00 -2.75 -0.20 0.00 -0.03 0.00 0.00 54.58 51.60 3pgk n ASN 119 Cb 0.00 0.91 -0.12 0.00 -0.61 0.00 0.00 39.78 39.96 3pgk n ASN 119 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3pgk h LEU 120 N 2.36 0.04 -6.38 3.41 4.07 -1.93 -3.41 115.31 113.47 3pgk h LEU 120 Ca -0.21 -0.64 -0.70 0.00 0.08 0.00 0.00 57.88 56.41 3pgk h LEU 120 Cb 1.23 -0.01 -0.05 0.00 1.08 0.00 0.00 40.66 42.91 3pgk h LEU 120 CO 0.07 1.42 2.93 -1.14 -1.08 0.00 0.00 178.44 180.64 3pgk n ARG 121 N -4.39 2.87 -0.26 1.13 0.00 -1.26 -4.64 116.66 110.10 3pgk n ARG 121 Ca -0.28 -2.71 0.00 0.00 -0.00 0.00 0.00 57.85 54.87 3pgk n ARG 121 Cb 0.67 -3.32 0.00 0.00 0.00 0.00 0.00 32.46 29.81 3pgk n ARG 121 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 3pgk n TYR 122 N 6.63 0.00 -0.19 -0.14 -0.00 -1.26 -2.95 117.16 119.25 3pgk n TYR 122 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.41 3pgk n TYR 122 Cb 0.40 -0.13 0.00 0.00 -0.00 0.00 0.00 39.34 39.62 3pgk n TYR 122 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 3pgk n HIS 123 N 1.12 0.00 1.23 2.98 8.25 -1.26 -4.84 115.22 122.70 3pgk n HIS 123 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 3pgk n HIS 123 Cb 0.12 0.00 0.39 0.00 1.12 0.00 0.00 29.99 31.61 3pgk n HIS 123 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3pgk n ILE 124 N 0.00 0.19 0.00 1.59 -5.35 -1.15 -4.69 119.36 109.95 3pgk n ILE 124 Ca 0.00 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 3pgk n ILE 124 Cb 0.00 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 3pgk n ILE 124 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3pgk n GLU 125 N 0.34 0.00 0.00 6.28 -0.58 -1.26 -2.78 120.64 122.64 3pgk n GLU 125 Ca 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 3pgk n GLU 125 Cb 0.34 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.21 3pgk n GLU 125 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3pgk n GLU 126 N 0.00 0.00 -0.29 3.49 1.02 -1.26 -4.76 120.64 118.85 3pgk n GLU 126 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 3pgk n GLU 126 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3pgk n GLU 126 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3pgk n GLU 127 N 0.00 0.00 -1.78 3.49 4.07 -1.26 -4.65 120.64 120.51 3pgk n GLU 127 Ca 0.00 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.86 3pgk n GLU 127 Cb 0.00 -0.22 -0.05 0.00 -0.06 0.00 0.00 31.44 31.11 3pgk n GLU 127 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3pgk s GLY 128 N -0.22 -0.32 0.00 8.31 0.00 -1.26 -2.96 107.32 110.87 3pgk s GLY 128 Ca 0.13 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.98 3pgk s GLY 128 CO 0.14 3.89 0.00 -1.14 0.00 0.00 0.00 173.10 175.98 3pgk n SER 129 N 16.05 0.00 -1.20 1.64 3.41 -1.26 -4.28 113.62 127.97 3pgk n SER 129 Ca 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 3pgk n SER 129 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3pgk n SER 129 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3pgk n ARG 130 N 0.00 -0.04 0.00 4.33 0.63 -1.26 -4.78 116.66 115.53 3pgk n ARG 130 Ca 0.00 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 3pgk n ARG 130 Cb 0.00 -0.30 0.00 0.00 0.45 0.00 0.00 32.46 32.61 3pgk n ARG 130 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3pgk n LYS 131 N 1.80 0.00 -0.40 -0.14 5.02 -1.26 -4.68 118.16 118.50 3pgk n LYS 131 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 3pgk n LYS 131 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3pgk n LYS 131 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3pgk n VAL 132 N 0.00 0.37 -0.55 -0.18 0.31 -1.26 -4.67 118.33 112.35 3pgk n VAL 132 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3pgk n VAL 132 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3pgk n VAL 132 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3pgk n ASP 133 N 0.66 -2.20 -1.65 4.52 -0.08 -1.26 -5.01 116.55 111.53 3pgk n ASP 133 Ca 0.04 0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 3pgk n ASP 133 Cb 0.10 -1.12 0.00 0.00 2.34 0.00 0.00 41.12 42.44 3pgk n ASP 133 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3pgk n GLY 134 N 0.05 -4.21 2.48 0.27 0.00 -1.26 -4.97 105.19 97.55 3pgk n GLY 134 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 3pgk n GLY 134 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3pgk n GLN 135 N -1.79 0.25 -0.31 1.61 1.13 -1.26 -4.96 117.38 112.04 3pgk n GLN 135 Ca 0.00 -1.78 0.04 0.00 -1.94 0.00 0.00 57.00 53.33 3pgk n GLN 135 Cb 0.25 -0.38 -0.01 0.00 0.11 0.00 0.00 30.24 30.21 3pgk n GLN 135 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3pgk n LYS 136 N -2.12 -0.63 -3.71 -1.09 4.01 -1.26 -4.85 118.16 108.51 3pgk n LYS 136 Ca 0.11 0.42 -0.14 0.00 -0.51 0.00 0.00 58.31 58.18 3pgk n LYS 136 Cb 0.38 -0.77 -0.08 0.00 -0.51 0.00 0.00 35.03 34.05 3pgk n LYS 136 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3pgk s VAL 137 N -0.87 0.04 0.00 -0.18 1.01 -1.26 -4.82 120.40 114.31 3pgk s VAL 137 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3pgk s VAL 137 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.69 3pgk s VAL 137 CO 0.00 -0.16 0.00 1.17 0.00 0.00 0.00 175.10 176.11 3pgk n LYS 138 N 1.49 0.29 -0.63 2.72 4.81 -1.15 -4.48 118.16 121.20 3pgk n LYS 138 Ca -0.20 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.30 3pgk n LYS 138 Cb 0.56 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.60 3pgk n LYS 138 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3pgk n ALA 139 N -3.00 -2.52 0.00 3.14 0.00 -1.26 -4.57 120.51 112.30 3pgk n ALA 139 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3pgk n ALA 139 Cb 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3pgk n ALA 139 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3pgk n SER 140 N -4.24 0.00 0.00 0.00 2.88 -1.26 -4.62 113.62 106.38 3pgk n SER 140 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 3pgk n SER 140 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 3pgk n SER 140 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3pgk n LYS 141 N -0.40 0.00 -0.33 -1.46 5.02 -1.26 -4.90 118.16 114.82 3pgk n LYS 141 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 3pgk n LYS 141 Cb 0.00 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 35.23 3pgk n LYS 141 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3pgk h GLU 142 N 0.00 0.86 -0.78 1.97 4.11 -2.02 -1.41 114.58 117.32 3pgk h GLU 142 Ca 0.00 -0.05 0.18 0.00 0.07 0.00 0.00 59.36 59.56 3pgk h GLU 142 Cb 0.00 -0.19 -0.12 0.00 0.50 0.00 0.00 28.75 28.94 3pgk h GLU 142 CO 0.00 0.57 0.18 -0.44 0.07 0.00 0.00 179.01 179.39 3pgk h ASP 143 N 0.89 -0.01 -0.98 3.06 3.45 -2.00 7.72 116.42 128.54 3pgk h ASP 143 Ca 0.47 0.16 0.04 0.00 0.43 0.00 0.00 57.03 58.14 3pgk h ASP 143 Cb 0.50 0.22 -0.06 0.00 -0.56 0.00 0.00 39.33 39.43 3pgk h ASP 143 CO -0.28 -0.07 0.64 1.62 -1.57 0.00 0.00 179.24 179.58 3pgk h VAL 144 N 0.25 1.15 -0.55 -1.35 3.04 -1.62 -2.70 116.25 114.48 3pgk h VAL 144 Ca 0.45 -0.42 0.10 0.00 -1.01 0.00 0.00 66.70 65.82 3pgk h VAL 144 Cb 0.81 -0.18 -0.08 0.00 -2.01 0.00 0.00 31.29 29.83 3pgk h VAL 144 CO -0.56 0.22 0.07 -0.61 -1.01 0.00 0.00 177.57 175.68 3pgk h GLN 145 N 1.22 0.18 -0.21 4.17 -0.00 1.66 0.10 115.11 122.24 3pgk h GLN 145 Ca 0.40 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 59.04 3pgk h GLN 145 Cb 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 3pgk h GLN 145 CO -0.13 0.12 0.13 0.87 0.00 0.00 0.00 178.83 179.82 3pgk h LYS 146 N 0.19 0.28 -0.39 1.69 1.57 -0.07 -1.79 116.57 118.04 3pgk h LYS 146 Ca 0.28 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.09 3pgk h LYS 146 Cb 0.42 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 3pgk h LYS 146 CO -0.41 0.21 0.13 0.35 -0.57 0.00 0.00 179.45 179.16 3pgk h PHE 147 N 0.26 0.22 -0.17 -1.35 3.57 -0.93 0.46 116.94 119.01 3pgk h PHE 147 Ca 0.08 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3pgk h PHE 147 Cb 0.00 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3pgk h PHE 147 CO -0.05 0.08 0.07 0.00 -2.23 0.00 0.00 178.31 176.17 3pgk h ARG 148 N 0.28 0.15 -0.27 1.11 3.08 -0.77 0.26 114.38 118.23 3pgk h ARG 148 Ca 0.18 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.25 3pgk h ARG 148 Cb 0.18 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3pgk h ARG 148 CO -0.20 0.10 0.09 1.25 -1.07 0.00 0.00 179.97 180.14 3pgk h HIS 149 N 0.16 0.16 -0.34 3.04 2.76 -0.52 -2.04 115.15 118.37 3pgk h HIS 149 Ca 0.07 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.28 3pgk h HIS 149 Cb 0.03 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 3pgk h HIS 149 CO -0.10 0.07 0.16 0.93 -1.30 0.00 0.00 177.93 177.69 3pgk h GLU 150 N 0.21 0.33 0.31 5.26 5.08 0.19 -1.81 114.58 124.15 3pgk h GLU 150 Ca 0.12 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3pgk h GLU 150 Cb 0.09 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3pgk h GLU 150 CO -0.12 0.22 -0.17 1.25 -1.00 0.00 0.00 179.01 179.19 3pgk h LEU 151 N 0.34 -0.41 -0.79 1.33 7.12 0.04 -2.58 115.31 120.36 3pgk h LEU 151 Ca 0.14 0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.22 3pgk h LEU 151 Cb 0.06 0.12 -0.05 0.00 -0.53 0.00 0.00 40.66 40.26 3pgk h LEU 151 CO -0.10 -0.28 0.49 0.28 -0.13 0.00 0.00 178.44 178.70 3pgk h SER 152 N -0.45 0.79 0.00 1.25 0.02 -1.41 -3.31 113.55 110.44 3pgk h SER 152 Ca -0.04 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3pgk h SER 152 Cb 0.36 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3pgk h SER 152 CO 0.05 0.53 0.00 -0.24 -1.14 0.00 0.00 176.83 176.02 3pgk n SER 153 N -4.64 0.00 -3.48 3.07 2.88 -0.68 -0.67 113.62 110.10 3pgk n SER 153 Ca 0.10 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.37 3pgk n SER 153 Cb 0.13 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.50 3pgk n SER 153 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3pgk n LEU 154 N -0.70 2.80 0.00 2.46 -0.00 -1.25 -5.06 117.00 115.25 3pgk n LEU 154 Ca 0.00 -5.22 -0.12 0.00 -0.00 0.00 0.00 56.01 50.68 3pgk n LEU 154 Cb 0.00 -0.41 -0.01 0.00 -0.00 0.00 0.00 43.42 43.00 3pgk n LEU 154 CO 0.00 1.99 0.27 0.00 -0.00 0.00 0.00 177.39 179.64 3pgk n ALA 155 N 1.28 -0.76 0.12 1.47 0.00 0.16 -4.86 120.51 117.92 3pgk n ALA 155 Ca 0.26 -1.39 0.00 0.00 0.00 0.00 0.00 53.44 52.31 3pgk n ALA 155 Cb 0.42 1.12 0.00 0.00 0.00 0.00 0.00 19.45 20.99 3pgk n ALA 155 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3pgk n ASP 156 N -1.60 -0.16 -4.07 0.00 10.43 0.18 -4.83 116.55 116.51 3pgk n ASP 156 Ca -0.02 0.39 -0.27 0.00 2.57 0.00 0.00 54.79 57.46 3pgk n ASP 156 Cb 0.55 0.35 -0.17 0.00 1.84 0.00 0.00 41.12 43.68 3pgk n ASP 156 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3pgk s VAL 157 N -2.00 1.38 -0.22 2.53 -7.23 0.34 -4.46 120.40 110.74 3pgk s VAL 157 Ca 0.00 -0.61 -0.05 0.00 -1.81 0.00 0.00 61.98 59.51 3pgk s VAL 157 Cb 0.00 -1.24 -0.02 0.00 0.56 0.00 0.00 36.38 35.68 3pgk s VAL 157 CO 0.00 0.41 -0.02 -0.47 -0.31 0.00 0.00 175.10 174.72 3pgk s TYR 158 N 0.68 2.99 -0.27 2.82 5.04 0.10 -2.39 117.35 126.33 3pgk s TYR 158 Ca -0.14 -0.71 -0.02 0.00 -2.44 0.00 0.00 57.07 53.76 3pgk s TYR 158 Cb -0.16 -2.11 0.04 0.00 0.35 0.00 0.00 41.96 40.07 3pgk s TYR 158 CO 0.04 -0.42 -0.04 0.96 -1.34 0.00 0.00 175.55 174.74 3pgk s ILE 159 N 1.34 2.90 -0.06 3.14 -4.36 -0.63 -2.10 121.20 121.42 3pgk s ILE 159 Ca 0.04 -1.19 -0.25 0.00 -0.26 0.00 0.00 60.65 58.99 3pgk s ILE 159 Cb -0.14 -2.56 -0.03 0.00 1.25 0.00 0.00 42.46 40.97 3pgk s ILE 159 CO -0.00 0.07 0.76 0.20 0.24 0.00 0.00 174.94 176.20 3pgk s ASN 160 N 1.29 7.06 -0.38 4.36 0.01 -0.73 -1.34 114.94 125.21 3pgk s ASN 160 Ca -0.02 1.27 0.12 0.00 -0.71 0.00 0.00 52.86 53.52 3pgk s ASN 160 Cb -0.18 -2.44 0.39 0.00 0.41 0.00 0.00 41.25 39.43 3pgk s ASN 160 CO -0.03 -0.15 1.08 -0.90 -1.51 0.00 0.00 177.10 175.58 3pgk n ASP 161 N 3.86 -0.46 -3.46 -1.22 5.75 -0.64 -1.96 116.55 118.42 3pgk n ASP 161 Ca 0.00 -2.86 -0.14 0.00 -0.01 0.00 0.00 54.79 51.78 3pgk n ASP 161 Cb 0.51 0.42 -0.04 0.00 -1.03 0.00 0.00 41.12 40.98 3pgk n ASP 161 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pgk s ALA 162 N -1.29 -1.68 -0.70 2.12 0.00 -1.25 -4.07 121.76 114.89 3pgk s ALA 162 Ca 0.27 0.86 -0.04 0.00 0.00 0.00 0.00 51.96 53.04 3pgk s ALA 162 Cb 0.39 0.49 0.07 0.00 0.00 0.00 0.00 23.12 24.08 3pgk s ALA 162 CO -0.04 -0.60 2.67 1.19 0.00 0.00 0.00 175.76 178.98 3pgk n PHE 163 N 0.16 1.86 -0.01 0.00 0.99 -1.26 -4.47 117.46 114.73 3pgk n PHE 163 Ca -0.17 -2.19 -0.01 0.00 -0.00 0.00 0.00 57.45 55.07 3pgk n PHE 163 Cb 0.62 -1.52 -0.00 0.00 -1.00 0.00 0.00 39.48 37.58 3pgk n PHE 163 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3pgk n GLY 164 N 1.15 -0.45 2.77 1.37 0.00 -1.26 -4.74 105.19 104.02 3pgk n GLY 164 Ca 0.53 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 46.18 3pgk n GLY 164 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3pgk n THR 165 N -2.74 2.46 -2.06 2.61 5.66 -1.26 -3.17 114.28 115.78 3pgk n THR 165 Ca -0.02 -1.73 -0.02 0.00 -3.05 0.00 0.00 64.05 59.24 3pgk n THR 165 Cb 0.06 -2.28 -0.02 0.00 -1.55 0.00 0.00 70.33 66.54 3pgk n THR 165 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3pgk n ALA 166 N 5.46 2.55 0.00 1.79 0.00 -1.26 0.62 120.51 129.67 3pgk n ALA 166 Ca 0.50 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3pgk n ALA 166 Cb 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.44 3pgk n ALA 166 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3pgk n HIS 167 N 0.06 0.00 0.00 0.00 1.44 -1.19 -3.92 115.22 111.61 3pgk n HIS 167 Ca -0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.64 3pgk n HIS 167 Cb 0.67 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.78 3pgk n HIS 167 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3pgk n ARG 168 N 0.00 0.00 0.00 -1.40 3.00 -1.26 -4.98 116.66 112.02 3pgk n ARG 168 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3pgk n ARG 168 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3pgk n ARG 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3pgk n ALA 169 N -1.00 0.00 -0.75 7.54 0.00 -1.26 -4.78 120.51 120.26 3pgk n ALA 169 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3pgk n ALA 169 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3pgk n ALA 169 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3pgk n HIS 170 N -1.56 -0.33 -1.56 0.00 8.25 -1.26 -4.23 115.22 114.54 3pgk n HIS 170 Ca 0.00 0.18 -0.38 0.00 -0.26 0.00 0.00 57.72 57.26 3pgk n HIS 170 Cb 0.00 -0.29 0.04 0.00 1.12 0.00 0.00 29.99 30.86 3pgk n HIS 170 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3pgk n SER 171 N -2.73 0.07 0.00 0.41 2.88 -1.12 -2.49 113.62 110.63 3pgk n SER 171 Ca -0.01 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.32 3pgk n SER 171 Cb 0.05 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.21 3pgk n SER 171 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3pgk n SER 172 N -0.22 0.00 -0.00 -3.46 7.64 -1.26 -4.75 113.62 111.57 3pgk n SER 172 Ca 0.13 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.01 3pgk n SER 172 Cb 0.47 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.66 3pgk n SER 172 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3pgk n MET 173 N -2.00 4.87 0.00 1.43 2.00 -1.04 -4.72 117.12 117.66 3pgk n MET 173 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3pgk n MET 173 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 33.22 32.53 3pgk n MET 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3pgk n VAL 174 N -1.17 0.00 0.00 2.03 0.31 -1.23 -4.87 118.33 113.41 3pgk n VAL 174 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3pgk n VAL 174 Cb 0.03 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 3pgk n VAL 174 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3pgk n GLY 175 N 4.99 0.00 1.15 2.92 0.00 -1.26 -3.93 105.19 109.06 3pgk n GLY 175 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3pgk n GLY 175 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3pgk n PHE 176 N -1.24 0.00 -0.57 1.61 3.01 -1.26 -4.71 117.46 114.30 3pgk n PHE 176 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.16 3pgk n PHE 176 Cb 0.00 -0.08 0.21 0.00 -0.01 0.00 0.00 39.48 39.60 3pgk n PHE 176 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3pgk n ASP 177 N 0.83 -2.33 0.00 4.37 4.64 -1.25 -4.81 116.55 117.99 3pgk n ASP 177 Ca 0.00 -0.21 0.00 0.00 -1.38 0.00 0.00 54.79 53.20 3pgk n ASP 177 Cb 0.00 -1.04 0.00 0.00 -1.04 0.00 0.00 41.12 39.04 3pgk n ASP 177 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3pgk n LEU 178 N -2.94 -0.41 0.00 -2.67 -0.00 -1.26 -4.88 117.00 104.83 3pgk n LEU 178 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 3pgk n LEU 178 Cb 0.59 0.31 0.00 0.00 -0.00 0.00 0.00 43.42 44.32 3pgk n LEU 178 CO 0.52 0.00 0.00 -0.81 -0.00 0.00 0.00 177.39 177.10 3pgk n PRO 179 N 1.33 2.36 -2.67 1.47 -0.04 -1.26 -4.91 135.00 131.28 3pgk n PRO 179 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 3pgk n PRO 179 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 3pgk n PRO 179 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3pgk n GLN 180 N 0.00 -3.98 -3.96 0.54 -0.06 -1.26 -4.34 117.38 104.32 3pgk n GLN 180 Ca 0.00 3.09 -0.34 0.00 -2.00 0.00 0.00 57.00 57.75 3pgk n GLN 180 Cb 0.00 -5.31 -0.14 0.00 -4.06 0.00 0.00 30.24 20.73 3pgk n GLN 180 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3pgk s ARG 181 N -1.27 2.24 -0.14 3.69 1.81 -1.26 -0.72 118.95 123.31 3pgk s ARG 181 Ca -0.11 -1.40 0.02 0.00 -1.72 0.00 0.00 55.73 52.52 3pgk s ARG 181 Cb 0.01 -3.12 0.01 0.00 -0.45 0.00 0.00 34.95 31.41 3pgk s ARG 181 CO 0.80 -0.67 -0.18 0.00 -0.68 0.00 0.00 175.30 174.56 3pgk s ALA 182 N 1.16 2.02 -0.24 2.13 0.00 -0.89 -1.22 121.76 124.71 3pgk s ALA 182 Ca -0.04 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 3pgk s ALA 182 Cb -0.20 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 21.96 3pgk s ALA 182 CO -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 175.76 175.55 3pgk s ALA 183 N 1.03 2.77 0.87 0.00 0.00 -0.61 -1.77 121.76 124.05 3pgk s ALA 183 Ca -0.04 -1.35 -0.15 0.00 0.00 0.00 0.00 51.96 50.42 3pgk s ALA 183 Cb -0.15 -1.73 -0.13 0.00 0.00 0.00 0.00 23.12 21.11 3pgk s ALA 183 CO -0.04 -0.67 -0.69 0.41 0.00 0.00 0.00 175.76 174.76 3pgk n GLY 184 N 4.74 -4.13 0.36 0.00 0.00 -0.83 -4.37 105.19 100.97 3pgk n GLY 184 Ca -0.17 -0.69 0.10 0.00 0.00 0.00 0.00 46.02 45.26 3pgk n GLY 184 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3pgk h PHE 185 N -0.85 1.06 -0.20 1.61 0.04 -1.93 -2.35 116.94 114.32 3pgk h PHE 185 Ca -0.39 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.46 3pgk h PHE 185 Cb 1.17 -0.33 -0.06 0.00 2.20 0.00 0.00 35.95 38.93 3pgk h PHE 185 CO 0.19 0.37 -0.16 -0.07 -0.60 0.00 0.00 178.31 178.03 3pgk h LEU 186 N 0.88 -0.52 -0.49 1.54 4.07 -1.93 0.82 115.31 119.67 3pgk h LEU 186 Ca 0.51 0.10 0.01 0.00 0.08 0.00 0.00 57.88 58.59 3pgk h LEU 186 Cb 0.65 0.26 -0.03 0.00 1.08 0.00 0.00 40.66 42.62 3pgk h LEU 186 CO -0.28 -0.20 0.31 -0.07 -1.08 0.00 0.00 178.44 177.11 3pgk h LEU 187 N -0.17 0.52 -0.40 1.67 -0.00 -1.74 -2.58 115.31 112.62 3pgk h LEU 187 Ca 0.12 -0.01 0.05 0.00 -0.00 0.00 0.00 57.88 58.05 3pgk h LEU 187 Cb 0.35 -0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 40.84 3pgk h LEU 187 CO -0.30 0.38 0.11 -0.08 -0.00 0.00 0.00 178.44 178.55 3pgk h GLU 188 N 0.63 0.25 -0.33 1.13 4.81 -0.79 -2.31 114.58 117.97 3pgk h GLU 188 Ca 0.19 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 3pgk h GLU 188 Cb -0.03 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 3pgk h GLU 188 CO -0.06 0.16 0.11 -0.22 -0.73 0.00 0.00 179.01 178.27 3pgk h LYS 189 N 0.26 0.25 0.24 1.92 3.64 0.99 -1.10 116.57 122.76 3pgk h LYS 189 Ca 0.19 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3pgk h LYS 189 Cb 0.20 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3pgk h LYS 189 CO -0.22 0.16 -0.16 0.93 -2.27 0.00 0.00 179.45 177.89 3pgk h GLU 190 N 0.25 -0.38 -0.16 1.90 5.08 -1.16 0.57 114.58 120.68 3pgk h GLU 190 Ca 0.15 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3pgk h GLU 190 Cb 0.12 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3pgk h GLU 190 CO -0.15 -0.26 0.01 -0.07 -1.00 0.00 0.00 179.01 177.54 3pgk h LEU 191 N -0.40 -0.04 0.58 1.33 4.07 -1.32 4.94 115.31 124.46 3pgk h LEU 191 Ca -0.02 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 3pgk h LEU 191 Cb 0.34 0.05 0.01 0.00 1.08 0.00 0.00 40.66 42.14 3pgk h LEU 191 CO 0.01 0.00 -0.28 0.50 -1.08 0.00 0.00 178.44 177.59 3pgk h LYS 192 N 0.07 -0.75 0.34 1.13 3.64 -1.01 10.07 116.57 130.05 3pgk h LYS 192 Ca 0.07 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3pgk h LYS 192 Cb 0.08 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3pgk h LYS 192 CO -0.12 -0.47 -0.16 1.88 -2.27 0.00 0.00 179.45 178.31 3pgk h TYR 193 N -0.88 -0.42 -0.19 1.91 0.05 0.45 -2.97 116.97 114.93 3pgk h TYR 193 Ca -0.08 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 3pgk h TYR 193 Cb 0.63 0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.50 3pgk h TYR 193 CO -0.02 -0.11 0.08 0.74 -1.05 0.00 0.00 178.16 177.80 3pgk h PHE 194 N -0.72 0.28 0.07 4.88 0.04 0.98 -3.36 116.94 119.11 3pgk h PHE 194 Ca -0.05 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.72 3pgk h PHE 194 Cb 0.49 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.53 3pgk h PHE 194 CO 0.01 0.31 -0.18 0.78 -0.60 0.00 0.00 178.31 178.63 3pgk h GLY 195 N 0.17 -0.30 0.82 -1.45 0.00 2.27 -3.32 103.07 101.26 3pgk h GLY 195 Ca 0.06 0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.58 3pgk h GLY 195 CO -0.01 -0.17 0.02 0.07 0.00 0.00 0.00 176.54 176.45 3pgk h LYS 196 N -0.33 0.32 -1.36 4.80 2.10 -1.54 -2.90 116.57 117.67 3pgk h LYS 196 Ca 0.03 -0.09 0.44 0.00 -2.00 0.00 0.00 60.65 59.03 3pgk h LYS 196 Cb 0.36 -0.03 -0.12 0.00 -0.90 0.00 0.00 32.23 31.54 3pgk h LYS 196 CO -0.12 0.50 0.89 0.00 -2.00 0.00 0.00 179.45 178.72 3pgk h ALA 197 N 0.81 2.83 -0.57 0.07 0.00 -1.73 34.27 119.26 154.94 3pgk h ALA 197 Ca 0.06 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3pgk h ALA 197 Cb 0.35 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3pgk h ALA 197 CO 0.01 -1.44 0.24 -0.07 0.00 0.00 0.00 179.25 177.99 3pgk h LEU 198 N 0.08 0.28 0.00 0.00 3.38 -1.66 -3.41 115.31 113.98 3pgk h LEU 198 Ca 0.82 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.84 3pgk h LEU 198 Cb 2.63 0.02 0.00 0.00 0.09 0.00 0.00 40.66 43.40 3pgk h LEU 198 CO -0.37 0.18 0.00 -0.62 0.09 0.00 0.00 178.44 177.72 3pgk n GLU 199 N -4.95 0.00 -2.33 1.13 1.02 10.18 -4.92 120.64 120.77 3pgk n GLU 199 Ca 0.07 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.04 3pgk n GLU 199 Cb 0.22 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.66 3pgk n GLU 199 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3pgk n ASN 200 N 0.00 3.81 -4.66 1.62 5.15 -1.24 -4.97 115.26 114.97 3pgk n ASN 200 Ca 0.00 -3.23 -0.42 0.00 -0.60 0.00 0.00 54.58 50.33 3pgk n ASN 200 Cb 0.00 -0.40 -0.03 0.00 -0.53 0.00 0.00 39.78 38.82 3pgk n ASN 200 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3pgk s PRO 201 N -3.62 4.15 0.00 1.20 0.05 -1.26 -4.90 135.00 130.62 3pgk s PRO 201 Ca 0.43 2.57 0.00 0.00 0.05 0.00 0.00 61.00 64.05 3pgk s PRO 201 Cb 0.39 -4.14 0.00 0.00 0.05 0.00 0.00 34.50 30.80 3pgk s PRO 201 CO -0.01 -0.94 0.96 2.41 0.05 0.00 0.00 177.00 179.46 3pgk n THR 202 N 5.54 0.00 -0.47 1.26 -1.04 -1.26 -4.47 114.28 113.83 3pgk n THR 202 Ca 0.20 1.46 -0.19 0.00 -2.04 0.00 0.00 64.05 63.48 3pgk n THR 202 Cb 0.41 -2.45 -0.03 0.00 -1.82 0.00 0.00 70.33 66.44 3pgk n THR 202 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 3pgk n ARG 203 N -1.87 0.00 -0.37 -2.82 1.85 -1.26 -4.52 116.66 107.67 3pgk n ARG 203 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.56 3pgk n ARG 203 Cb 0.00 -0.44 0.27 0.00 -1.05 0.00 0.00 32.46 31.24 3pgk n ARG 203 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3pgk n PRO 204 N 0.78 -3.57 -3.84 2.89 -0.01 -1.26 -4.51 135.00 125.48 3pgk n PRO 204 Ca 0.07 -1.04 -0.36 0.00 -0.01 0.00 0.00 63.50 62.17 3pgk n PRO 204 Cb 0.00 -2.00 -0.13 0.00 -0.01 0.00 0.00 33.50 31.37 3pgk n PRO 204 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 175.50 175.61 3pgk s PHE 205 N -2.24 3.38 -0.22 6.00 5.36 -1.26 0.17 117.98 129.16 3pgk s PHE 205 Ca 0.66 -2.01 -0.03 0.00 -0.96 0.00 0.00 56.93 54.59 3pgk s PHE 205 Cb -0.18 -2.52 -0.00 0.00 -0.34 0.00 0.00 43.02 39.98 3pgk s PHE 205 CO 0.61 -0.85 -0.06 -1.17 -1.46 0.00 0.00 175.22 172.28 3pgk s LEU 206 N 1.23 2.84 -0.19 6.12 0.20 0.42 -3.26 118.68 126.04 3pgk s LEU 206 Ca 0.00 -0.48 -0.03 0.00 0.69 0.00 0.00 54.13 54.32 3pgk s LEU 206 Cb -0.21 -1.70 -0.01 0.00 -0.43 0.00 0.00 46.19 43.85 3pgk s LEU 206 CO -0.02 -0.03 -0.08 0.00 -0.29 0.00 0.00 176.35 175.93 3pgk s ALA 207 N 1.44 2.73 -0.27 5.97 0.00 1.51 -2.85 121.76 130.30 3pgk s ALA 207 Ca 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3pgk s ALA 207 Cb -0.14 -1.54 0.05 0.00 0.00 0.00 0.00 23.12 21.49 3pgk s ALA 207 CO -0.05 -0.26 -0.07 0.42 0.00 0.00 0.00 175.76 175.81 3pgk s ILE 208 N 1.18 2.57 -0.17 0.00 1.09 -0.70 0.31 121.20 125.48 3pgk s ILE 208 Ca 0.02 -1.39 0.00 0.00 -1.10 0.00 0.00 60.65 58.18 3pgk s ILE 208 Cb -0.14 -2.43 0.03 0.00 -1.06 0.00 0.00 42.46 38.86 3pgk s ILE 208 CO -0.02 0.03 -0.10 -0.76 -0.10 0.00 0.00 174.94 173.98 3pgk s LEU 209 N 1.21 1.86 0.58 2.97 1.43 0.97 -2.97 118.68 124.72 3pgk s LEU 209 Ca -0.05 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.40 3pgk s LEU 209 Cb -0.19 -1.12 0.05 0.00 0.03 0.00 0.00 46.19 44.97 3pgk s LEU 209 CO -0.04 -0.12 0.82 -0.83 0.23 0.00 0.00 176.35 176.41 3pgk s GLY 210 N 1.50 1.81 0.48 -3.19 0.00 -1.25 -2.72 107.32 103.95 3pgk s GLY 210 Ca 0.02 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.31 3pgk s GLY 210 CO -0.09 -1.08 0.00 0.61 0.00 0.00 0.00 173.10 172.54 3pgk n GLY 211 N -2.44 -2.54 0.00 0.20 0.00 0.50 -4.68 105.19 96.24 3pgk n GLY 211 Ca 0.10 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3pgk n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pgk n ALA 212 N -3.69 0.00 -0.60 4.61 0.00 -0.95 -4.18 120.51 115.71 3pgk n ALA 212 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3pgk n ALA 212 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3pgk n ALA 212 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3pgk n LYS 213 N 0.00 0.00 -0.78 0.00 4.81 -1.26 -5.01 118.16 115.92 3pgk n LYS 213 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3pgk n LYS 213 Cb 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 35.03 34.85 3pgk n LYS 213 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3pgk n VAL 214 N 0.20 0.00 0.00 3.15 0.31 -1.26 -4.88 118.33 115.84 3pgk n VAL 214 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3pgk n VAL 214 Cb 0.00 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 3pgk n VAL 214 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3pgk n ALA 215 N -3.00 0.00 0.00 3.52 0.00 -1.26 -3.98 120.51 115.79 3pgk n ALA 215 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3pgk n ALA 215 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3pgk n ALA 215 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3pgk n ASP 216 N 0.00 0.00 -0.17 0.00 4.64 -1.26 -0.36 116.55 119.40 3pgk n ASP 216 Ca 0.00 0.00 -0.02 0.00 -1.38 0.00 0.00 54.79 53.39 3pgk n ASP 216 Cb 0.00 0.00 0.05 0.00 -1.04 0.00 0.00 41.12 40.13 3pgk n ASP 216 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 3pgk h LYS 217 N 0.00 0.04 -0.35 -0.67 1.63 -1.91 52.76 116.57 168.07 3pgk h LYS 217 Ca 0.00 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 3pgk h LYS 217 Cb 0.00 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 3pgk h LYS 217 CO 0.00 0.03 0.06 0.82 -3.45 0.00 0.00 179.45 176.91 3pgk h ILE 218 N 0.04 1.23 -0.73 2.00 1.08 -0.93 -3.18 117.51 117.02 3pgk h ILE 218 Ca 0.26 -0.82 0.12 0.00 -0.39 0.00 0.00 64.86 64.04 3pgk h ILE 218 Cb 0.40 1.10 -0.09 0.00 -3.07 0.00 0.00 36.82 35.17 3pgk h ILE 218 CO -0.50 0.27 0.32 -0.61 -0.69 0.00 0.00 178.15 176.94 3pgk h GLN 219 N 0.41 0.49 -0.59 2.37 -0.00 1.85 0.42 115.11 120.05 3pgk h GLN 219 Ca 0.11 -0.03 0.09 0.00 -0.00 0.00 0.00 58.65 58.82 3pgk h GLN 219 Cb 0.34 -0.11 -0.07 0.00 0.00 0.00 0.00 27.48 27.64 3pgk h GLN 219 CO 0.01 0.33 0.21 1.25 0.00 0.00 0.00 178.83 180.62 3pgk h LEU 220 N 0.51 0.20 0.07 -2.39 5.85 12.69 -2.95 115.31 129.28 3pgk h LEU 220 Ca 0.39 0.08 0.01 0.00 0.84 0.00 0.00 57.88 59.20 3pgk h LEU 220 Cb 0.52 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3pgk h LEU 220 CO -0.35 0.12 -0.11 -0.29 -0.34 0.00 0.00 178.44 177.47 3pgk h ILE 221 N 0.39 0.73 0.23 4.05 -0.00 -0.18 -1.87 117.51 120.86 3pgk h ILE 221 Ca 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 65.15 3pgk h ILE 221 Cb 0.37 0.73 0.00 0.00 -0.00 0.00 0.00 36.82 37.93 3pgk h ILE 221 CO -0.31 0.00 -0.11 -0.78 -0.00 0.00 0.00 178.15 176.95 3pgk h ASP 222 N -0.23 -0.26 0.02 2.19 -0.00 -1.30 0.46 116.42 117.30 3pgk h ASP 222 Ca 0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.03 57.02 3pgk h ASP 222 Cb 0.24 0.07 0.00 0.00 -0.00 0.00 0.00 39.33 39.64 3pgk h ASP 222 CO -0.06 -0.14 -0.01 -1.13 -0.00 0.00 0.00 179.24 177.89 3pgk h ASN 223 N -0.37 -0.03 -0.98 2.28 -0.00 -1.60 0.39 115.58 115.28 3pgk h ASN 223 Ca -0.03 -0.21 0.26 0.00 -0.00 0.00 0.00 56.30 56.32 3pgk h ASN 223 Cb 0.28 0.01 -0.06 0.00 -0.00 0.00 0.00 38.32 38.55 3pgk h ASN 223 CO 0.05 0.19 0.68 0.25 -0.00 0.00 0.00 177.43 178.60 3pgk h LEU 224 N -0.25 0.18 -0.81 0.34 6.46 -1.29 0.13 115.31 120.07 3pgk h LEU 224 Ca -0.00 0.03 0.17 0.00 -0.12 0.00 0.00 57.88 57.96 3pgk h LEU 224 Cb 0.24 -0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.05 3pgk h LEU 224 CO 0.01 0.05 0.32 0.25 -0.62 0.00 0.00 178.44 178.45 3pgk h LEU 225 N 0.17 0.27 -9.96 2.25 6.46 0.43 -3.41 115.31 111.52 3pgk h LEU 225 Ca 0.50 0.13 -0.56 0.00 -0.12 0.00 0.00 57.88 57.83 3pgk h LEU 225 Cb 1.65 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 41.67 3pgk h LEU 225 CO -0.10 0.06 -0.21 -0.62 -0.62 0.00 0.00 178.44 176.94 3pgk s ASP 226 N -5.28 6.56 0.00 1.25 3.68 0.44 -4.80 116.67 118.52 3pgk s ASP 226 Ca -0.12 0.76 0.00 0.00 2.13 0.00 0.00 52.55 55.32 3pgk s ASP 226 Cb 0.22 -2.16 0.00 0.00 -1.45 0.00 0.00 42.92 39.53 3pgk s ASP 226 CO 0.77 -0.02 0.00 0.29 0.13 0.00 0.00 175.17 176.34 3pgk n LYS 227 N -0.05 0.00 0.00 4.34 4.76 -1.26 -4.99 118.16 120.96 3pgk n LYS 227 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 3pgk n LYS 227 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 3pgk n LYS 227 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 3pgk n VAL 228 N 0.00 0.00 -2.13 -0.18 3.14 -1.26 -5.00 118.33 112.90 3pgk n VAL 228 Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 3pgk n VAL 228 Cb 0.00 -0.04 -0.03 0.00 -1.06 0.00 0.00 33.84 32.72 3pgk n VAL 228 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 3pgk s ASP 229 N 0.82 6.55 0.00 6.55 1.11 -1.22 -4.63 116.67 125.86 3pgk s ASP 229 Ca 0.00 1.81 0.00 0.00 0.18 0.00 0.00 52.55 54.54 3pgk s ASP 229 Cb 0.00 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.46 3pgk s ASP 229 CO 0.00 -1.08 0.58 -1.54 1.18 0.00 0.00 175.17 174.31 3pgk n SER 230 N 7.77 1.60 -4.07 0.27 3.41 -1.25 -4.29 113.62 117.05 3pgk n SER 230 Ca 0.18 -1.23 -0.32 0.00 -0.26 0.00 0.00 58.87 57.24 3pgk n SER 230 Cb 0.44 -0.32 -0.15 0.00 -0.26 0.00 0.00 64.21 63.92 3pgk n SER 230 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3pgk s ILE 231 N 1.08 2.19 -0.12 -1.33 1.01 -1.19 0.64 121.20 123.47 3pgk s ILE 231 Ca 0.00 -1.61 0.01 0.00 0.00 0.00 0.00 60.65 59.05 3pgk s ILE 231 Cb 0.00 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.21 3pgk s ILE 231 CO 0.00 -0.01 -0.14 -0.51 0.00 0.00 0.00 174.94 174.27 3pgk s ILE 232 N 1.11 1.49 -0.36 2.92 1.10 -0.18 0.44 121.20 127.72 3pgk s ILE 232 Ca -0.08 -0.62 -0.05 0.00 -0.51 0.00 0.00 60.65 59.39 3pgk s ILE 232 Cb -0.20 -1.38 0.07 0.00 0.15 0.00 0.00 42.46 41.10 3pgk s ILE 232 CO -0.05 0.44 0.13 -0.63 -2.11 0.00 0.00 174.94 172.71 3pgk s ILE 233 N 1.18 3.52 -0.13 2.00 1.01 0.90 -0.13 121.20 129.55 3pgk s ILE 233 Ca -0.02 -1.46 0.01 0.00 0.00 0.00 0.00 60.65 59.17 3pgk s ILE 233 Cb -0.14 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.22 3pgk s ILE 233 CO -0.05 -0.33 -0.16 -0.83 0.00 0.00 0.00 174.94 173.57 3pgk s GLY 234 N 1.58 1.13 -0.29 6.18 0.00 -1.10 0.32 107.32 115.14 3pgk s GLY 234 Ca 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 44.72 43.81 3pgk s GLY 234 CO -0.00 0.35 0.02 -0.32 0.00 0.00 0.00 173.10 173.15 3pgk s GLY 235 N 1.23 1.74 0.05 0.20 0.00 -1.24 -4.08 107.32 105.23 3pgk s GLY 235 Ca -0.00 -1.61 0.02 0.00 0.00 0.00 0.00 44.72 43.13 3pgk s GLY 235 CO -0.07 0.65 -0.07 -0.32 0.00 0.00 0.00 173.10 173.29 3pgk s GLY 236 N 1.36 0.52 -0.08 0.20 0.00 -1.26 -2.23 107.32 105.82 3pgk s GLY 236 Ca -0.01 -0.85 -0.27 0.00 0.00 0.00 0.00 44.72 43.59 3pgk s GLY 236 CO -0.00 -0.92 0.99 -0.33 0.00 0.00 0.00 173.10 172.84 3pgk h MET 237 N 4.24 -0.01 -0.38 2.90 2.86 -1.98 -3.15 114.93 119.40 3pgk h MET 237 Ca -0.35 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 3pgk h MET 237 Cb 1.20 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 3pgk h MET 237 CO 0.45 0.72 0.21 0.00 1.06 0.00 0.00 176.91 179.36 3pgk h ALA 238 N 0.20 0.49 -0.76 6.32 0.00 -1.94 0.25 119.26 123.82 3pgk h ALA 238 Ca -0.00 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.01 3pgk h ALA 238 Cb 0.74 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.25 3pgk h ALA 238 CO 0.00 0.01 0.14 0.74 0.00 0.00 0.00 179.25 180.14 3pgk h PHE 239 N 0.49 0.19 -0.65 0.00 0.04 -1.97 21.52 116.94 136.57 3pgk h PHE 239 Ca 0.14 0.05 0.09 0.00 2.80 0.00 0.00 57.97 61.04 3pgk h PHE 239 Cb 0.05 0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.16 3pgk h PHE 239 CO -0.03 -0.15 0.29 1.15 -0.60 0.00 0.00 178.31 178.97 3pgk h THR 240 N 0.21 0.82 0.39 -1.55 2.02 -1.39 4.24 112.91 117.65 3pgk h THR 240 Ca 0.44 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 3pgk h THR 240 Cb 0.78 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3pgk h THR 240 CO -0.58 0.09 -0.25 -0.26 0.37 0.00 0.00 175.52 174.89 3pgk h PHE 241 N 0.51 -0.66 -0.31 3.16 0.05 4.63 -2.17 116.94 122.14 3pgk h PHE 241 Ca 0.32 -0.01 0.01 0.00 3.82 0.00 0.00 57.97 62.12 3pgk h PHE 241 Cb 0.35 0.24 -0.02 0.00 2.00 0.00 0.00 35.95 38.52 3pgk h PHE 241 CO -0.13 -0.39 0.19 0.87 -0.18 0.00 0.00 178.31 178.67 3pgk h LYS 242 N -0.62 0.37 -0.01 1.51 1.79 2.51 -3.06 116.57 119.07 3pgk h LYS 242 Ca -0.04 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.43 3pgk h LYS 242 Cb 0.52 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 3pgk h LYS 242 CO 0.03 0.25 -0.14 -0.22 -1.08 0.00 0.00 179.45 178.29 3pgk h LYS 243 N 0.38 -0.22 0.00 3.15 3.64 0.83 -3.44 116.57 120.91 3pgk h LYS 243 Ca 0.12 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3pgk h LYS 243 Cb -0.01 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3pgk h LYS 243 CO -0.05 -0.15 0.00 1.33 -2.27 0.00 0.00 179.45 178.31 3pgk n VAL 244 N -5.27 0.00 0.00 2.00 0.24 -0.83 -5.07 118.33 109.40 3pgk n VAL 244 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3pgk n VAL 244 Cb 0.19 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 3pgk n VAL 244 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3pgk n LEU 245 N 0.00 0.00 -0.27 1.34 7.94 -1.16 -4.91 117.00 119.94 3pgk n LEU 245 Ca 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.91 3pgk n LEU 245 Cb 0.00 0.00 0.14 0.00 0.53 0.00 0.00 43.42 44.09 3pgk n LEU 245 CO 0.00 0.00 1.12 1.05 -1.11 0.00 0.00 177.39 178.45 3pgk h GLU 246 N 0.00 0.71 -0.40 1.96 4.11 -1.91 0.12 114.58 119.17 3pgk h GLU 246 Ca 0.00 -0.04 0.08 0.00 0.07 0.00 0.00 59.36 59.47 3pgk h GLU 246 Cb 0.00 -0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.01 3pgk h GLU 246 CO 0.00 0.47 -0.12 -0.97 0.07 0.00 0.00 179.01 178.46 3pgk h ASN 247 N 0.74 -0.43 -0.23 3.06 -0.73 -1.94 0.93 115.58 116.98 3pgk h ASN 247 Ca 0.36 0.13 -0.02 0.00 1.87 0.00 0.00 56.30 58.65 3pgk h ASN 247 Cb 0.32 0.27 -0.01 0.00 0.27 0.00 0.00 38.32 39.17 3pgk h ASN 247 CO -0.23 -0.15 0.08 0.00 -0.37 0.00 0.00 177.43 176.76 3pgk h THR 248 N -0.02 1.18 0.70 -3.57 1.03 -1.69 -1.02 112.91 109.50 3pgk h THR 248 Ca 0.20 -0.55 -0.03 0.00 -0.01 0.00 0.00 66.41 66.02 3pgk h THR 248 Cb 0.32 1.11 -0.01 0.00 -1.07 0.00 0.00 68.15 68.51 3pgk h THR 248 CO -0.43 0.18 -0.48 -0.33 -0.01 0.00 0.00 175.52 174.45 3pgk h GLU 249 N 0.21 -1.08 -0.14 0.00 5.08 0.17 0.97 114.58 119.78 3pgk h GLU 249 Ca 0.08 0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 3pgk h GLU 249 Cb 0.20 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 3pgk h GLU 249 CO -0.00 -0.72 -0.19 0.97 -1.00 0.00 0.00 179.01 178.06 3pgk h ILE 250 N -1.12 1.36 -0.58 3.13 2.10 -1.53 -3.24 117.51 117.62 3pgk h ILE 250 Ca -0.09 -1.40 0.05 0.00 1.08 0.00 0.00 64.86 64.50 3pgk h ILE 250 Cb 0.92 1.94 -0.07 0.00 -1.09 0.00 0.00 36.82 38.52 3pgk h ILE 250 CO 0.06 0.41 -0.34 0.61 -1.08 0.00 0.00 178.15 177.81 3pgk n GLY 251 N 0.29 -2.08 0.00 8.18 0.00 -0.39 -3.56 105.19 107.63 3pgk n GLY 251 Ca -0.06 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.76 3pgk n GLY 251 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3pgk n ASP 252 N -4.43 0.00 0.05 1.61 2.03 0.33 0.13 116.55 116.26 3pgk n ASP 252 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 3pgk n ASP 252 Cb 0.15 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 3pgk n ASP 252 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3pgk n SER 253 N 0.00 -0.67 -4.34 1.67 3.41 -1.24 -4.13 113.62 108.31 3pgk n SER 253 Ca 0.00 0.18 -0.31 0.00 -0.26 0.00 0.00 58.87 58.48 3pgk n SER 253 Cb 0.00 0.91 -0.15 0.00 -0.26 0.00 0.00 64.21 64.71 3pgk n SER 253 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3pgk s ILE 254 N -2.00 2.19 0.00 -1.33 1.10 -1.26 -5.01 121.20 114.89 3pgk s ILE 254 Ca 0.00 -1.22 0.00 0.00 -0.51 0.00 0.00 60.65 58.92 3pgk s ILE 254 Cb 0.00 -1.81 0.00 0.00 0.15 0.00 0.00 42.46 40.80 3pgk s ILE 254 CO 0.00 0.47 0.00 0.33 -2.11 0.00 0.00 174.94 173.63 3pgk n PHE 255 N 2.08 0.00 -3.51 3.50 7.35 -1.26 -4.05 117.46 121.57 3pgk n PHE 255 Ca -0.16 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.11 3pgk n PHE 255 Cb 0.52 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.24 3pgk n PHE 255 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3pgk s ASP 256 N -0.34 6.05 0.15 -2.13 3.68 -1.26 -4.99 116.67 117.84 3pgk s ASP 256 Ca 0.00 -0.58 -0.20 0.00 2.13 0.00 0.00 52.55 53.90 3pgk s ASP 256 Cb 0.00 -2.14 0.04 0.00 -1.45 0.00 0.00 42.92 39.37 3pgk s ASP 256 CO 0.00 -0.30 1.66 0.11 0.13 0.00 0.00 175.17 176.76 3pgk h LYS 257 N 8.53 -0.13 -0.08 4.34 1.57 -2.00 0.82 116.57 129.61 3pgk h LYS 257 Ca -0.30 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 3pgk h LYS 257 Cb 1.14 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 3pgk h LYS 257 CO 0.66 -0.09 0.03 0.00 -0.57 0.00 0.00 179.45 179.48 3pgk h ALA 258 N 1.04 0.11 -0.75 3.86 0.00 -2.03 -2.98 119.26 118.51 3pgk h ALA 258 Ca 0.14 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.16 3pgk h ALA 258 Cb 0.35 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3pgk h ALA 258 CO -0.35 -0.29 0.61 -0.24 0.00 0.00 0.00 179.25 178.98 3pgk h VAL 259 N -0.05 0.47 0.69 0.00 3.04 -1.31 -2.02 116.25 117.08 3pgk h VAL 259 Ca 0.03 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.68 3pgk h VAL 259 Cb 0.20 0.56 0.01 0.00 -2.01 0.00 0.00 31.29 30.05 3pgk h VAL 259 CO -0.00 0.00 -0.34 1.23 -1.01 0.00 0.00 177.57 177.45 3pgk h GLY 260 N 0.00 -0.97 0.86 3.17 0.00 0.71 1.06 103.07 107.89 3pgk h GLY 260 Ca 0.36 0.36 -0.00 0.00 0.00 0.00 0.00 47.33 48.05 3pgk h GLY 260 CO -0.00 -0.35 -0.05 -0.56 0.00 0.00 0.00 176.54 175.58 3pgk h PRO 261 N -0.93 -0.12 -0.29 4.80 0.14 -1.54 -2.16 132.00 131.90 3pgk h PRO 261 Ca -0.09 0.01 0.03 0.00 0.14 0.00 0.00 66.00 66.08 3pgk h PRO 261 Cb 0.72 0.03 -0.03 0.00 0.14 0.00 0.00 31.00 31.86 3pgk h PRO 261 CO 0.15 0.05 0.11 0.93 0.14 0.00 0.00 178.00 179.37 3pgk h GLU 262 N -0.28 0.23 0.07 0.86 5.08 -1.47 0.21 114.58 119.28 3pgk h GLU 262 Ca -0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3pgk h GLU 262 Cb 0.23 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3pgk h GLU 262 CO 0.02 0.15 -0.03 0.97 -1.00 0.00 0.00 179.01 179.12 3pgk h ILE 263 N 0.24 0.95 -0.39 3.13 2.10 0.12 1.88 117.51 125.52 3pgk h ILE 263 Ca 0.13 -0.05 0.03 0.00 1.08 0.00 0.00 64.86 66.04 3pgk h ILE 263 Cb 0.09 0.98 -0.03 0.00 -1.09 0.00 0.00 36.82 36.76 3pgk h ILE 263 CO -0.12 0.01 0.19 0.00 -1.08 0.00 0.00 178.15 177.15 3pgk h ALA 264 N 0.81 0.49 0.50 0.18 0.00 -1.19 0.54 119.26 120.59 3pgk h ALA 264 Ca -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3pgk h ALA 264 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3pgk h ALA 264 CO 0.02 -0.17 -0.24 0.87 0.00 0.00 0.00 179.25 179.73 3pgk h LYS 265 N 0.40 -0.65 -0.66 0.00 1.57 -0.03 -0.29 116.57 116.91 3pgk h LYS 265 Ca 0.17 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3pgk h LYS 265 Cb 0.08 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3pgk h LYS 265 CO -0.12 -0.40 0.44 1.37 -0.57 0.00 0.00 179.45 180.17 3pgk h LEU 266 N -0.74 0.76 -0.60 2.94 8.10 0.30 -1.26 115.31 124.80 3pgk h LEU 266 Ca -0.07 -0.02 0.10 0.00 0.11 0.00 0.00 57.88 58.00 3pgk h LEU 266 Cb 0.55 -0.19 -0.08 0.00 -0.44 0.00 0.00 40.66 40.50 3pgk h LEU 266 CO 0.11 0.55 0.20 0.24 -4.11 0.00 0.00 178.44 175.43 3pgk h MET 267 N 0.90 0.36 -0.10 0.17 2.86 -0.78 0.16 114.93 118.49 3pgk h MET 267 Ca 0.24 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.88 3pgk h MET 267 Cb -0.10 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 3pgk h MET 267 CO -0.05 0.24 -0.03 0.93 1.06 0.00 0.00 176.91 179.05 3pgk h GLU 268 N 0.37 -0.01 -0.81 1.72 4.39 0.13 -1.91 114.58 118.46 3pgk h GLU 268 Ca 0.31 0.00 0.09 0.00 0.34 0.00 0.00 59.36 60.10 3pgk h GLU 268 Cb 0.40 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.98 3pgk h GLU 268 CO -0.33 -0.01 0.46 0.87 -1.16 0.00 0.00 179.01 178.85 3pgk h LYS 269 N -0.01 0.77 -0.53 2.33 1.57 -0.83 0.17 116.57 120.04 3pgk h LYS 269 Ca 0.05 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3pgk h LYS 269 Cb 0.08 -0.17 -0.07 0.00 0.08 0.00 0.00 32.23 32.15 3pgk h LYS 269 CO -0.10 0.51 0.15 0.00 -0.57 0.00 0.00 179.45 179.43 3pgk h ALA 270 N 1.44 0.64 -0.11 3.86 0.00 -0.26 1.02 119.26 125.85 3pgk h ALA 270 Ca 0.39 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.41 3pgk h ALA 270 Cb 0.33 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3pgk h ALA 270 CO -0.24 -0.26 -0.04 -0.22 0.00 0.00 0.00 179.25 178.49 3pgk h LYS 271 N 0.30 -0.02 0.09 0.00 3.64 -0.25 -0.01 116.57 120.33 3pgk h LYS 271 Ca 0.27 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3pgk h LYS 271 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3pgk h LYS 271 CO -0.31 -0.01 -0.04 0.00 -2.27 0.00 0.00 179.45 176.82 3pgk h ALA 272 N 1.09 -0.12 -0.25 5.00 0.00 -0.58 -2.66 119.26 121.74 3pgk h ALA 272 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3pgk h ALA 272 Cb 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3pgk h ALA 272 CO -0.13 -0.54 0.16 0.87 0.00 0.00 0.00 179.25 179.61 3pgk h LYS 273 N -0.18 0.32 0.00 0.00 1.79 0.12 -3.44 116.57 115.17 3pgk h LYS 273 Ca -0.01 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3pgk h LYS 273 Cb 0.14 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 3pgk h LYS 273 CO 0.02 0.21 0.00 0.41 -1.08 0.00 0.00 179.45 179.01 3pgk n GLY 274 N -1.16 0.40 0.00 3.86 0.00 -0.06 -4.94 105.19 103.29 3pgk n GLY 274 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3pgk n GLY 274 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3pgk n VAL 275 N -0.29 0.00 -4.99 1.61 3.14 -0.96 -4.80 118.33 112.04 3pgk n VAL 275 Ca 0.00 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 3pgk n VAL 275 Cb 0.00 0.00 -0.17 0.00 -1.06 0.00 0.00 33.84 32.61 3pgk n VAL 275 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 3pgk s GLU 276 N 0.00 2.54 -0.19 1.45 -1.05 0.21 -4.17 118.70 117.49 3pgk s GLU 276 Ca 0.00 -0.71 -0.03 0.00 -0.15 0.00 0.00 54.97 54.08 3pgk s GLU 276 Cb 0.00 -1.97 -0.01 0.00 -0.44 0.00 0.00 34.13 31.71 3pgk s GLU 276 CO 0.00 0.13 -0.07 0.08 0.95 0.00 0.00 175.26 176.35 3pgk s VAL 277 N 0.44 3.31 -0.25 1.83 1.01 -1.26 -1.01 120.40 124.47 3pgk s VAL 277 Ca -0.17 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 3pgk s VAL 277 Cb -0.17 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 3pgk s VAL 277 CO 0.07 0.46 0.02 0.68 0.00 0.00 0.00 175.10 176.33 3pgk s VAL 278 N 1.08 3.70 0.43 2.92 -7.23 0.81 -4.95 120.40 117.16 3pgk s VAL 278 Ca 0.01 -0.56 0.05 0.00 -1.81 0.00 0.00 61.98 59.67 3pgk s VAL 278 Cb -0.15 -2.79 0.05 0.00 0.56 0.00 0.00 36.38 34.05 3pgk s VAL 278 CO -0.01 0.26 0.40 0.18 -0.31 0.00 0.00 175.10 175.62 3pgk n LEU 279 N 4.83 0.00 0.00 1.32 7.99 -1.26 -2.78 117.00 127.11 3pgk n LEU 279 Ca -0.16 -2.13 0.00 0.00 -0.01 0.00 0.00 56.01 53.70 3pgk n LEU 279 Cb 0.50 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.69 3pgk n LEU 279 CO 0.30 -0.55 0.00 -0.81 -1.51 0.00 0.00 177.39 174.82 3pgk n PRO 280 N -1.62 0.00 0.00 3.23 -0.05 -1.26 -4.94 135.00 130.36 3pgk n PRO 280 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.47 3pgk n PRO 280 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.93 3pgk n PRO 280 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 175.50 175.73 3pgk n VAL 281 N 0.00 0.00 -4.03 0.52 0.31 -1.26 -4.77 118.33 109.11 3pgk n VAL 281 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 3pgk n VAL 281 Cb 0.00 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 32.76 3pgk n VAL 281 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3pgk s ASP 282 N -0.33 1.36 0.04 4.52 -1.08 -1.26 0.16 116.67 120.08 3pgk s ASP 282 Ca 0.00 -0.15 -0.04 0.00 -0.52 0.00 0.00 52.55 51.84 3pgk s ASP 282 Cb 0.00 -0.52 -0.02 0.00 -1.46 0.00 0.00 42.92 40.92 3pgk s ASP 282 CO 0.00 -0.10 0.06 -0.36 0.52 0.00 0.00 175.17 175.29 3pgk s PHE 283 N 1.35 0.25 -0.06 -5.34 2.99 -0.99 -3.18 117.98 113.00 3pgk s PHE 283 Ca -0.04 -0.58 0.04 0.00 0.00 0.00 0.00 56.93 56.35 3pgk s PHE 283 Cb -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 43.02 42.70 3pgk s PHE 283 CO -0.03 -0.34 -0.18 0.96 -0.00 0.00 0.00 175.22 175.64 3pgk s ILE 284 N -2.57 1.56 0.01 0.64 -4.36 -1.24 -2.50 121.20 112.73 3pgk s ILE 284 Ca -0.05 -0.76 0.01 0.00 -0.26 0.00 0.00 60.65 59.59 3pgk s ILE 284 Cb -0.02 -1.35 -0.01 0.00 1.25 0.00 0.00 42.46 42.33 3pgk s ILE 284 CO -0.05 0.45 -0.04 -0.51 0.24 0.00 0.00 174.94 175.03 3pgk s ILE 285 N 0.25 0.29 -0.01 8.37 1.10 0.41 -3.29 121.20 128.32 3pgk s ILE 285 Ca -0.10 -0.48 0.02 0.00 -0.51 0.00 0.00 60.65 59.58 3pgk s ILE 285 Cb -0.14 -0.31 -0.00 0.00 0.15 0.00 0.00 42.46 42.15 3pgk s ILE 285 CO 0.04 -0.13 -0.06 0.00 -2.11 0.00 0.00 174.94 172.68 3pgk s ALA 286 N -0.61 0.54 0.00 1.50 0.00 -1.26 0.43 121.76 122.36 3pgk s ALA 286 Ca -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.64 3pgk s ALA 286 Cb -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.93 3pgk s ALA 286 CO -0.00 0.13 0.00 -3.47 0.00 0.00 0.00 175.76 172.42 3pgk n ASP 287 N 2.94 0.00 -3.07 0.00 4.64 0.98 -4.40 116.55 117.64 3pgk n ASP 287 Ca -0.13 0.00 -0.16 0.00 -1.38 0.00 0.00 54.79 53.12 3pgk n ASP 287 Cb 0.58 0.00 0.11 0.00 -1.04 0.00 0.00 41.12 40.77 3pgk n ASP 287 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3pgk n ALA 288 N 0.00 -0.76 0.07 -1.67 0.00 -1.26 -4.54 120.51 112.35 3pgk n ALA 288 Ca 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 53.44 52.38 3pgk n ALA 288 Cb 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 19.45 19.29 3pgk n ALA 288 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3pgk h PHE 289 N -1.35 0.18 0.00 0.00 -0.00 -1.95 -3.46 116.94 110.36 3pgk h PHE 289 Ca -0.23 -0.13 0.00 0.00 -0.00 0.00 0.00 57.97 57.61 3pgk h PHE 289 Cb 0.65 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 36.59 3pgk h PHE 289 CO 0.00 1.10 0.00 0.45 -0.00 0.00 0.00 178.31 179.86 3pgk n SER 290 N -3.41 0.00 -3.63 0.41 2.88 -1.26 -4.96 113.62 103.65 3pgk n SER 290 Ca -0.03 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.21 3pgk n SER 290 Cb 0.97 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 64.30 3pgk n SER 290 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3pgk s ALA 291 N -2.44 1.66 0.00 -1.46 0.00 -1.26 -5.00 121.76 113.26 3pgk s ALA 291 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 51.96 49.73 3pgk s ALA 291 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.36 3pgk s ALA 291 CO 0.00 -2.03 0.00 0.45 0.00 0.00 0.00 175.76 174.18 3pgk n SER 292 N 3.87 0.00 -2.66 0.00 2.88 -1.26 -5.09 113.62 111.36 3pgk n SER 292 Ca 0.08 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.62 3pgk n SER 292 Cb 0.36 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.82 3pgk n SER 292 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3pgk n ALA 293 N -0.15 -1.30 -2.91 -1.46 0.00 -1.26 -4.12 120.51 109.31 3pgk n ALA 293 Ca 0.00 0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.59 3pgk n ALA 293 Cb 0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 19.45 18.37 3pgk n ALA 293 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3pgk s ASN 294 N -0.09 0.26 -0.02 0.00 3.04 -1.26 -0.02 114.94 116.85 3pgk s ASN 294 Ca -0.03 -0.31 0.02 0.00 0.04 0.00 0.00 52.86 52.59 3pgk s ASN 294 Cb 0.00 0.05 0.00 0.00 -1.54 0.00 0.00 41.25 39.76 3pgk s ASN 294 CO 0.07 -0.16 -0.08 -0.89 -3.04 0.00 0.00 177.10 173.00 3pgk s THR 295 N -0.86 0.67 -0.06 -5.21 2.01 1.46 -4.89 115.64 108.76 3pgk s THR 295 Ca -0.09 -0.32 -0.00 0.00 0.31 0.00 0.00 61.69 61.59 3pgk s THR 295 Cb -0.06 -0.59 0.02 0.00 0.01 0.00 0.00 72.50 71.89 3pgk s THR 295 CO -0.00 0.21 -0.02 -1.59 -0.69 0.00 0.00 174.62 172.52 3pgk s LYS 296 N 0.07 0.72 0.21 4.92 -2.85 -1.26 0.16 119.74 121.71 3pgk s LYS 296 Ca -0.01 -0.00 -0.12 0.00 -1.00 0.00 0.00 55.97 54.84 3pgk s LYS 296 Cb -0.06 -0.90 -0.00 0.00 -2.06 0.00 0.00 37.83 34.81 3pgk s LYS 296 CO 0.00 -0.19 0.43 -0.08 0.10 0.00 0.00 175.35 175.61 3pgk s THR 297 N 1.43 0.02 -0.15 3.79 -1.32 -1.04 -5.02 115.64 113.35 3pgk s THR 297 Ca -0.03 -1.30 -0.02 0.00 -1.21 0.00 0.00 61.69 59.13 3pgk s THR 297 Cb -0.13 -2.00 -0.02 0.00 -1.51 0.00 0.00 72.50 68.84 3pgk s THR 297 CO -0.03 -0.10 -0.10 0.68 -2.21 0.00 0.00 174.62 172.87 3pgk s VAL 298 N -3.98 3.27 0.00 5.08 -7.23 -1.26 -2.35 120.40 113.92 3pgk s VAL 298 Ca 0.19 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 3pgk s VAL 298 Cb 0.00 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.54 3pgk s VAL 298 CO 0.05 0.50 0.00 0.41 -0.31 0.00 0.00 175.10 175.75 3pgk n THR 299 N 3.76 0.00 -1.45 5.32 -1.04 0.42 -4.92 114.28 116.36 3pgk n THR 299 Ca -0.18 0.00 -0.55 0.00 -2.04 0.00 0.00 64.05 61.28 3pgk n THR 299 Cb 0.52 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.97 3pgk n THR 299 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3pgk n ASP 300 N 7.00 -0.35 0.00 8.00 8.00 -1.26 -4.87 116.55 133.08 3pgk n ASP 300 Ca 0.00 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.63 3pgk n ASP 300 Cb 0.00 -0.91 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 3pgk n ASP 300 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3pgk n LYS 301 N 1.34 0.00 -2.84 -1.24 4.81 -1.26 -5.08 118.16 113.90 3pgk n LYS 301 Ca 0.19 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.59 3pgk n LYS 301 Cb 0.12 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.19 3pgk n LYS 301 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3pgk n GLU 302 N 0.51 0.59 0.00 1.64 1.02 -1.26 -4.85 120.64 118.28 3pgk n GLU 302 Ca 0.00 -1.21 0.00 0.00 -0.02 0.00 0.00 57.16 55.93 3pgk n GLU 302 Cb 0.00 1.55 0.00 0.00 -0.02 0.00 0.00 31.44 32.97 3pgk n GLU 302 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3pgk n GLY 303 N -0.39 0.32 0.00 0.62 0.00 0.34 -3.94 105.19 102.15 3pgk n GLY 303 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3pgk n GLY 303 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3pgk n ILE 304 N 0.00 0.00 -0.99 -0.61 5.41 -1.26 -1.22 119.36 120.69 3pgk n ILE 304 Ca 0.00 0.31 -0.29 0.00 1.00 0.00 0.00 62.75 63.76 3pgk n ILE 304 Cb 0.00 -0.51 -0.11 0.00 -0.71 0.00 0.00 39.64 38.30 3pgk n ILE 304 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3pgk n PRO 305 N -0.34 0.04 0.00 0.38 -0.01 -1.26 -4.45 135.00 129.36 3pgk n PRO 305 Ca 0.00 -1.25 0.00 0.00 -0.01 0.00 0.00 63.50 62.24 3pgk n PRO 305 Cb 0.00 -3.05 0.00 0.00 -0.01 0.00 0.00 33.50 30.44 3pgk n PRO 305 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3pgk n ALA 306 N 13.50 0.00 0.00 3.55 0.00 -0.36 -4.86 120.51 132.34 3pgk n ALA 306 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3pgk n ALA 306 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3pgk n ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pgk n GLY 307 N 0.00 0.56 0.00 0.00 0.00 -1.24 -4.91 105.19 99.61 3pgk n GLY 307 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3pgk n GLY 307 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3pgk n TRP 308 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -4.79 117.44 113.00 3pgk n TRP 308 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3pgk n TRP 308 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3pgk n TRP 308 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 3pgk n GLN 309 N 0.00 0.00 -0.08 5.87 1.13 -1.26 -4.55 117.38 118.48 3pgk n GLN 309 Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 3pgk n GLN 309 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.30 3pgk n GLN 309 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3pgk n GLY 310 N 0.00 -0.90 0.00 1.08 0.00 -1.26 -4.68 105.19 99.43 3pgk n GLY 310 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3pgk n GLY 310 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3pgk n LEU 311 N -4.54 0.00 -4.84 0.99 -0.00 -1.21 -3.98 117.00 103.42 3pgk n LEU 311 Ca -0.17 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.51 3pgk n LEU 311 Cb 0.42 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.78 3pgk n LEU 311 CO 0.13 0.00 0.46 -0.62 -0.00 0.00 0.00 177.39 177.36 3pgk s ASP 312 N -4.00 6.82 -0.05 1.96 2.15 -1.23 -4.64 116.67 117.67 3pgk s ASP 312 Ca 0.00 1.36 -0.30 0.00 0.43 0.00 0.00 52.55 54.05 3pgk s ASP 312 Cb 0.00 -2.40 -0.07 0.00 -0.30 0.00 0.00 42.92 40.15 3pgk s ASP 312 CO 0.00 -0.22 1.86 0.21 -0.17 0.00 0.00 175.17 176.85 3pgk s ASN 313 N -2.22 6.39 0.00 -0.34 2.47 -1.26 -3.67 114.94 116.30 3pgk s ASN 313 Ca 0.55 2.32 0.00 0.00 0.42 0.00 0.00 52.86 56.15 3pgk s ASN 313 Cb -0.10 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.17 3pgk s ASN 313 CO 0.17 -1.15 0.00 0.61 -3.72 0.00 0.00 177.10 173.01 3pgk n GLY 314 N 4.58 2.05 0.18 1.21 0.00 -1.26 -4.15 105.19 107.80 3pgk n GLY 314 Ca 0.20 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.12 3pgk n GLY 314 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3pgk h PRO 315 N 0.00 -0.36 0.04 1.61 0.10 -1.94 0.37 132.00 131.81 3pgk h PRO 315 Ca 0.00 0.02 -0.00 0.00 0.10 0.00 0.00 66.00 66.12 3pgk h PRO 315 Cb 0.00 0.08 0.00 0.00 0.10 0.00 0.00 31.00 31.18 3pgk h PRO 315 CO 0.00 -0.24 -0.02 1.49 0.10 0.00 0.00 178.00 179.33 3pgk h GLU 316 N -0.38 -0.05 -0.52 1.05 4.22 -1.96 -1.07 114.58 115.86 3pgk h GLU 316 Ca -0.04 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.45 3pgk h GLU 316 Cb 0.29 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 3pgk h GLU 316 CO 0.06 -0.03 0.27 0.77 -2.18 0.00 0.00 179.01 177.91 3pgk h SER 317 N -0.06 0.39 -0.10 1.04 0.02 -1.50 -1.93 113.55 111.41 3pgk h SER 317 Ca -0.01 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3pgk h SER 317 Cb 0.05 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3pgk h SER 317 CO 0.01 0.27 -0.05 -0.09 -1.14 0.00 0.00 176.83 175.83 3pgk h ARG 318 N 0.53 -0.04 0.25 3.45 2.43 0.23 -1.02 114.38 120.21 3pgk h ARG 318 Ca 0.23 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3pgk h ARG 318 Cb 0.13 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3pgk h ARG 318 CO -0.16 -0.02 -0.12 -0.22 -1.51 0.00 0.00 179.97 177.94 3pgk h LYS 319 N -0.04 -0.32 -0.55 0.20 3.64 -0.77 0.18 116.57 118.91 3pgk h LYS 319 Ca 0.06 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.51 3pgk h LYS 319 Cb 0.12 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 3pgk h LYS 319 CO -0.13 -0.19 0.27 1.25 -2.27 0.00 0.00 179.45 178.38 3pgk h LEU 320 N -0.37 0.37 0.04 5.20 7.12 -1.27 7.10 115.31 133.49 3pgk h LEU 320 Ca -0.03 0.04 0.02 0.00 0.13 0.00 0.00 57.88 58.03 3pgk h LEU 320 Cb 0.29 -0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.36 3pgk h LEU 320 CO 0.06 0.25 -0.16 -0.26 -0.13 0.00 0.00 178.44 178.19 3pgk h PHE 321 N 0.51 -0.43 -0.86 1.25 0.05 -0.89 1.12 116.94 117.70 3pgk h PHE 321 Ca 0.25 0.01 0.03 0.00 3.82 0.00 0.00 57.97 62.08 3pgk h PHE 321 Cb 0.18 0.18 -0.05 0.00 2.00 0.00 0.00 35.95 38.27 3pgk h PHE 321 CO -0.11 -0.24 0.55 0.00 -0.18 0.00 0.00 178.31 178.33 3pgk h ALA 322 N 0.60 1.13 0.42 2.45 0.00 0.49 0.30 119.26 124.65 3pgk h ALA 322 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3pgk h ALA 322 Cb 0.34 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3pgk h ALA 322 CO -0.13 0.39 -0.39 0.00 0.00 0.00 0.00 179.25 179.12 3pgk h ALA 323 N 1.36 -0.86 -0.70 0.00 0.00 1.96 0.42 119.26 121.44 3pgk h ALA 323 Ca 0.34 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3pgk h ALA 323 Cb 0.01 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3pgk h ALA 323 CO -0.12 -1.02 0.25 1.15 0.00 0.00 0.00 179.25 179.51 3pgk h THR 324 N -0.82 1.25 -0.58 0.00 2.02 0.11 -2.93 112.91 111.96 3pgk h THR 324 Ca -0.04 -0.81 0.12 0.00 0.77 0.00 0.00 66.41 66.45 3pgk h THR 324 Cb 0.72 0.44 -0.11 0.00 -1.74 0.00 0.00 68.15 67.46 3pgk h THR 324 CO -0.05 0.32 -0.13 0.58 0.37 0.00 0.00 175.52 176.62 3pgk h VAL 325 N 1.02 0.44 -2.60 3.16 2.07 0.12 -2.81 116.25 117.64 3pgk h VAL 325 Ca 0.23 -0.00 -0.54 0.00 0.82 0.00 0.00 66.70 67.21 3pgk h VAL 325 Cb 0.24 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 30.37 3pgk h VAL 325 CO -0.01 0.00 1.10 0.00 0.02 0.00 0.00 177.57 178.68 3pgk s ALA 326 N -6.22 2.73 0.00 1.67 0.00 0.13 -4.54 121.76 115.53 3pgk s ALA 326 Ca -0.14 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.89 3pgk s ALA 326 Cb 0.18 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 19.13 3pgk s ALA 326 CO 0.73 -3.15 0.00 1.63 0.00 0.00 0.00 175.76 174.97 3pgk n LYS 327 N 8.95 0.00 0.00 0.00 5.02 -1.06 -4.86 118.16 126.21 3pgk n LYS 327 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3pgk n LYS 327 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 3pgk n LYS 327 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3pgk n ALA 328 N 0.00 0.00 -0.89 7.82 0.00 -1.26 -4.86 120.51 121.32 3pgk n ALA 328 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3pgk n ALA 328 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 3pgk n ALA 328 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3pgk n THR 329 N 0.00 -0.10 -2.62 0.00 5.66 -1.22 -4.46 114.28 111.53 3pgk n THR 329 Ca 0.00 0.06 -0.32 0.00 -3.05 0.00 0.00 64.05 60.74 3pgk n THR 329 Cb 0.00 -0.10 -0.04 0.00 -1.55 0.00 0.00 70.33 68.64 3pgk n THR 329 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3pgk s VAL 330 N -4.32 4.56 -0.19 1.08 -7.23 0.44 -4.41 120.40 110.33 3pgk s VAL 330 Ca 0.00 1.15 0.01 0.00 -1.81 0.00 0.00 61.98 61.33 3pgk s VAL 330 Cb 0.00 -3.69 0.03 0.00 0.56 0.00 0.00 36.38 33.28 3pgk s VAL 330 CO 0.00 -0.55 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.45 3pgk s ILE 331 N -2.44 1.92 -0.18 -0.62 1.01 -1.13 -0.44 121.20 119.32 3pgk s ILE 331 Ca 0.58 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 60.23 3pgk s ILE 331 Cb -0.10 -1.84 0.02 0.00 0.01 0.00 0.00 42.46 40.55 3pgk s ILE 331 CO 0.27 0.37 -0.20 -0.76 0.00 0.00 0.00 174.94 174.62 3pgk s LEU 332 N 1.31 2.14 -0.18 2.97 1.02 -1.25 -0.42 118.68 124.28 3pgk s LEU 332 Ca 0.02 -0.64 0.01 0.00 0.02 0.00 0.00 54.13 53.54 3pgk s LEU 332 Cb -0.15 -1.48 0.02 0.00 0.02 0.00 0.00 46.19 44.60 3pgk s LEU 332 CO -0.10 0.01 -0.19 0.86 0.02 0.00 0.00 176.35 176.95 3pgk s TRP 333 N 1.25 2.72 0.00 0.29 -0.00 -1.16 -1.72 118.94 120.33 3pgk s TRP 333 Ca 0.04 -1.63 0.00 0.00 -0.00 0.00 0.00 56.10 54.51 3pgk s TRP 333 Cb -0.13 -1.88 0.00 0.00 -0.00 0.00 0.00 33.47 31.46 3pgk s TRP 333 CO -0.12 -0.80 0.00 -1.71 -0.00 0.00 0.00 176.95 174.33 3pgk n ASN 334 N 4.63 0.00 -4.39 5.86 4.05 -1.25 -2.87 115.26 121.29 3pgk n ASN 334 Ca -0.20 0.00 -0.28 0.00 0.45 0.00 0.00 54.58 54.55 3pgk n ASN 334 Cb 0.49 0.00 0.15 0.00 1.23 0.00 0.00 39.78 41.65 3pgk n ASN 334 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 3pgk s GLY 335 N 0.00 1.76 0.79 8.20 0.00 -1.26 -3.63 107.32 113.18 3pgk s GLY 335 Ca 0.00 -1.31 -0.14 0.00 0.00 0.00 0.00 44.72 43.27 3pgk s GLY 335 CO 0.00 -0.64 1.17 -1.05 0.00 0.00 0.00 173.10 172.59 3pgk n PRO 336 N -3.41 0.28 0.32 2.90 -0.02 -1.26 -4.11 135.00 129.69 3pgk n PRO 336 Ca 0.14 0.17 0.19 0.00 -2.02 0.00 0.00 63.50 61.99 3pgk n PRO 336 Cb 0.60 -2.42 1.03 0.00 -0.02 0.00 0.00 33.50 32.70 3pgk n PRO 336 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3pgk h PRO 337 N -0.74 0.00 0.00 0.52 0.10 -1.94 -2.45 132.00 127.49 3pgk h PRO 337 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.63 3pgk h PRO 337 Cb 1.31 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.41 3pgk h PRO 337 CO 0.46 0.00 0.00 0.41 0.10 0.00 0.00 178.00 178.97 3pgk n GLY 338 N -1.18 -0.92 3.57 -0.55 0.00 -1.26 0.19 105.19 105.03 3pgk n GLY 338 Ca -0.02 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3pgk n GLY 338 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pgk s VAL 339 N -4.00 3.91 -0.87 1.61 1.01 -1.26 -4.71 120.40 116.09 3pgk s VAL 339 Ca 0.00 -1.27 0.26 0.00 0.00 0.00 0.00 61.98 60.98 3pgk s VAL 339 Cb 0.00 -4.95 0.16 0.00 0.00 0.00 0.00 36.38 31.59 3pgk s VAL 339 CO 0.00 -1.74 1.66 2.22 0.00 0.00 0.00 175.10 177.24 3pgk n PHE 340 N 9.98 0.32 0.61 5.22 1.16 -1.25 -3.62 117.46 129.87 3pgk n PHE 340 Ca 0.43 0.09 0.12 0.00 -1.87 0.00 0.00 57.45 56.22 3pgk n PHE 340 Cb 0.48 -0.58 0.23 0.00 -1.61 0.00 0.00 39.48 38.00 3pgk n PHE 340 CO 0.00 0.00 0.00 -0.85 -1.87 0.00 0.00 176.76 174.04 3pgk n GLU 341 N -1.79 2.35 -3.60 3.97 0.28 -1.26 -4.56 120.64 116.02 3pgk n GLU 341 Ca 0.06 -2.02 -0.27 0.00 -0.16 0.00 0.00 57.16 54.77 3pgk n GLU 341 Cb 0.38 -1.49 -0.10 0.00 1.43 0.00 0.00 31.44 31.66 3pgk n GLU 341 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3pgk n PHE 342 N 1.27 2.43 -0.56 -1.84 3.01 -1.24 -5.07 117.46 115.47 3pgk n PHE 342 Ca 0.18 -4.05 -0.21 0.00 1.01 0.00 0.00 57.45 54.38 3pgk n PHE 342 Cb 0.56 -0.45 -0.03 0.00 -0.01 0.00 0.00 39.48 39.55 3pgk n PHE 342 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3pgk n GLU 343 N 1.67 0.00 0.00 -1.08 -0.58 -1.26 -1.07 120.64 118.31 3pgk n GLU 343 Ca 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 3pgk n GLU 343 Cb 0.41 -0.52 0.00 0.00 -0.57 0.00 0.00 31.44 30.76 3pgk n GLU 343 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3pgk n LYS 344 N 0.52 0.00 -1.20 3.49 4.81 -1.26 -4.64 118.16 119.87 3pgk n LYS 344 Ca 0.07 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.39 3pgk n LYS 344 Cb 0.05 0.00 0.14 0.00 0.02 0.00 0.00 35.03 35.23 3pgk n LYS 344 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3pgk n PHE 345 N 0.00 1.67 -2.71 5.64 0.99 -0.23 -4.63 117.46 118.19 3pgk n PHE 345 Ca 0.00 -1.94 -0.07 0.00 -0.00 0.00 0.00 57.45 55.45 3pgk n PHE 345 Cb 0.00 -0.53 0.07 0.00 -1.00 0.00 0.00 39.48 38.02 3pgk n PHE 345 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3pgk n ALA 346 N -0.98 -2.26 0.11 4.37 0.00 -1.23 -3.96 120.51 116.55 3pgk n ALA 346 Ca 0.38 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3pgk n ALA 346 Cb 0.93 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3pgk n ALA 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3pgk n ALA 347 N 1.39 3.00 -0.32 0.00 0.00 -1.26 -4.67 120.51 118.65 3pgk n ALA 347 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.63 3pgk n ALA 347 Cb 0.67 0.09 0.37 0.00 0.00 0.00 0.00 19.45 20.58 3pgk n ALA 347 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3pgk h GLY 348 N 0.00 1.46 0.15 0.00 0.00 -1.89 -1.68 103.07 101.12 3pgk h GLY 348 Ca 0.00 -0.32 0.08 0.00 0.00 0.00 0.00 47.33 47.09 3pgk h GLY 348 CO 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.41 3pgk h THR 349 N 0.70 0.54 -1.01 4.70 1.03 -1.87 0.39 112.91 117.39 3pgk h THR 349 Ca 0.53 0.00 0.11 0.00 -0.01 0.00 0.00 66.41 67.04 3pgk h THR 349 Cb 0.90 0.54 -0.08 0.00 -1.07 0.00 0.00 68.15 68.43 3pgk h THR 349 CO -0.29 0.00 0.64 0.50 -0.01 0.00 0.00 175.52 176.36 3pgk h LYS 350 N -0.05 1.00 -0.43 0.00 3.64 -1.61 -1.22 116.57 117.90 3pgk h LYS 350 Ca 0.19 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.59 3pgk h LYS 350 Cb 0.34 -0.23 -0.08 0.00 -0.41 0.00 0.00 32.23 31.86 3pgk h LYS 350 CO -0.43 0.66 -0.07 0.00 -2.27 0.00 0.00 179.45 177.35 3pgk h ALA 351 N 1.52 0.32 -0.23 5.00 0.00 -0.14 0.38 119.26 126.12 3pgk h ALA 351 Ca 0.49 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.54 3pgk h ALA 351 Cb 0.43 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3pgk h ALA 351 CO -0.25 -0.43 0.12 1.25 0.00 0.00 0.00 179.25 179.94 3pgk h LEU 352 N 0.03 0.29 -0.81 0.00 6.46 -0.44 -3.12 115.31 117.72 3pgk h LEU 352 Ca 0.21 -0.10 0.12 0.00 -0.12 0.00 0.00 57.88 57.99 3pgk h LEU 352 Cb 0.32 -0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 40.09 3pgk h LEU 352 CO -0.41 0.31 0.41 0.25 -0.62 0.00 0.00 178.44 178.38 3pgk h LEU 353 N 0.25 0.52 0.38 2.25 6.46 -0.28 -3.03 115.31 121.86 3pgk h LEU 353 Ca 0.08 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 3pgk h LEU 353 Cb 0.09 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 3pgk h LEU 353 CO -0.01 0.25 -0.26 0.44 -0.62 0.00 0.00 178.44 178.25 3pgk h ASP 354 N 0.64 -0.65 -0.40 1.25 3.45 -0.92 -2.98 116.42 116.81 3pgk h ASP 354 Ca 0.42 0.04 0.01 0.00 0.43 0.00 0.00 57.03 57.94 3pgk h ASP 354 Cb 0.53 0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 39.48 3pgk h ASP 354 CO -0.32 -0.40 0.25 -0.33 -1.57 0.00 0.00 179.24 176.86 3pgk h GLU 355 N -0.62 0.49 0.08 3.56 4.39 -1.62 0.16 114.58 121.01 3pgk h GLU 355 Ca -0.04 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.66 3pgk h GLU 355 Cb 0.52 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 3pgk h GLU 355 CO 0.02 0.32 -0.26 -0.24 -1.16 0.00 0.00 179.01 177.70 3pgk h VAL 356 N 0.50 0.43 -0.10 3.13 3.04 -1.53 2.55 116.25 124.27 3pgk h VAL 356 Ca 0.15 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.84 3pgk h VAL 356 Cb -0.02 0.43 -0.00 0.00 -2.01 0.00 0.00 31.29 29.68 3pgk h VAL 356 CO -0.06 0.00 0.05 0.58 -1.01 0.00 0.00 177.57 177.13 3pgk h VAL 357 N -0.44 1.11 -0.24 1.51 2.07 -1.39 0.26 116.25 119.13 3pgk h VAL 357 Ca 0.04 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.29 3pgk h VAL 357 Cb 0.49 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3pgk h VAL 357 CO -0.18 0.10 -0.03 0.50 0.02 0.00 0.00 177.57 177.98 3pgk h LYS 358 N 0.04 0.03 0.19 1.57 3.64 0.14 -2.49 116.57 119.70 3pgk h LYS 358 Ca 0.03 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3pgk h LYS 358 Cb 0.11 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3pgk h LYS 358 CO -0.00 0.02 -0.12 0.77 -2.27 0.00 0.00 179.45 177.84 3pgk h SER 359 N 0.03 -0.31 0.00 4.20 0.02 0.47 -3.34 113.55 114.61 3pgk h SER 359 Ca 0.11 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3pgk h SER 359 Cb 0.16 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3pgk h SER 359 CO -0.22 -0.20 0.00 -1.54 -1.14 0.00 0.00 176.83 173.73 3pgk n SER 360 N -5.24 0.00 0.00 3.07 3.41 0.89 0.33 113.62 116.08 3pgk n SER 360 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 3pgk n SER 360 Cb 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3pgk n SER 360 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3pgk n ALA 361 N 0.00 0.00 -0.72 7.33 0.00 -1.25 0.19 120.51 126.05 3pgk n ALA 361 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3pgk n ALA 361 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 3pgk n ALA 361 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3pgk n ALA 362 N -3.00 2.39 -0.16 0.00 0.00 0.98 -3.65 120.51 117.08 3pgk n ALA 362 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3pgk n ALA 362 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3pgk n ALA 362 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pgk n GLY 363 N 2.92 2.67 3.26 0.00 0.00 -1.24 -4.55 105.19 108.25 3pgk n GLY 363 Ca 0.01 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 3pgk n GLY 363 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pgk s ASN 364 N -4.00 -0.16 0.09 1.61 -0.87 -1.06 -4.89 114.94 105.66 3pgk s ASN 364 Ca 0.00 -0.12 -0.13 0.00 -1.57 0.00 0.00 52.86 51.04 3pgk s ASN 364 Cb 0.00 0.37 -0.08 0.00 -0.02 0.00 0.00 41.25 41.52 3pgk s ASN 364 CO 0.00 -0.61 0.24 0.35 -2.57 0.00 0.00 177.10 174.51 3pgk n THR 365 N 0.64 0.89 -4.09 1.60 -2.24 0.13 -3.69 114.28 107.52 3pgk n THR 365 Ca -0.19 -0.22 -0.32 0.00 -2.27 0.00 0.00 64.05 61.05 3pgk n THR 365 Cb 0.59 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.66 3pgk n THR 365 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3pgk s VAL 366 N -0.45 2.01 -0.35 2.28 1.01 0.02 -3.27 120.40 121.66 3pgk s VAL 366 Ca 0.29 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3pgk s VAL 366 Cb -0.42 -1.93 0.09 0.00 0.00 0.00 0.00 36.38 34.12 3pgk s VAL 366 CO 0.25 0.35 0.07 -0.63 0.00 0.00 0.00 175.10 175.14 3pgk s ILE 367 N 1.26 2.64 -0.11 2.22 1.01 0.44 0.17 121.20 128.84 3pgk s ILE 367 Ca 0.01 -2.09 -0.01 0.00 0.00 0.00 0.00 60.65 58.56 3pgk s ILE 367 Cb -0.15 -2.82 0.03 0.00 0.01 0.00 0.00 42.46 39.53 3pgk s ILE 367 CO -0.10 -0.51 -0.05 -0.51 0.00 0.00 0.00 174.94 173.77 3pgk s ILE 368 N 1.03 0.81 -0.16 2.92 -1.16 0.33 -3.01 121.20 121.95 3pgk s ILE 368 Ca 0.06 -0.20 -0.29 0.00 -0.51 0.00 0.00 60.65 59.72 3pgk s ILE 368 Cb -0.20 -0.91 0.10 0.00 0.61 0.00 0.00 42.46 42.06 3pgk s ILE 368 CO -0.06 0.29 0.85 -0.83 -2.81 0.00 0.00 174.94 172.39 3pgk s GLY 369 N 1.79 -0.39 0.00 1.50 0.00 -1.14 -3.62 107.32 105.46 3pgk s GLY 369 Ca 0.04 1.92 0.00 0.00 0.00 0.00 0.00 44.72 46.68 3pgk s GLY 369 CO -0.07 1.28 0.00 0.61 0.00 0.00 0.00 173.10 174.91 3pgk n GLY 370 N 1.39 -0.96 1.88 0.20 0.00 -1.26 -4.61 105.19 101.82 3pgk n GLY 370 Ca -0.14 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3pgk n GLY 370 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pgk n GLY 371 N 0.00 -0.18 0.24 -0.02 0.00 -1.26 -2.97 105.19 101.00 3pgk n GLY 371 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3pgk n GLY 371 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3pgk h ASP 372 N 0.00 -0.57 -0.78 1.61 5.19 -1.96 -0.36 116.42 119.54 3pgk h ASP 372 Ca 0.00 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3pgk h ASP 372 Cb 0.00 0.22 -0.04 0.00 0.18 0.00 0.00 39.33 39.69 3pgk h ASP 372 CO 0.00 -0.29 0.48 0.00 -3.12 0.00 0.00 179.24 176.31 3pgk h THR 373 N -0.38 1.22 -0.69 0.35 1.03 -1.83 -2.03 112.91 110.58 3pgk h THR 373 Ca 0.03 -0.47 0.14 0.00 -0.01 0.00 0.00 66.41 66.10 3pgk h THR 373 Cb 0.41 0.12 -0.10 0.00 -1.07 0.00 0.00 68.15 67.51 3pgk h THR 373 CO -0.12 0.23 0.20 0.00 -0.01 0.00 0.00 175.52 175.81 3pgk h ALA 374 N 1.25 0.89 -0.37 0.00 0.00 -1.50 2.66 119.26 122.20 3pgk h ALA 374 Ca 0.28 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.36 3pgk h ALA 374 Cb -0.05 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3pgk h ALA 374 CO -0.05 -0.29 0.16 1.15 0.00 0.00 0.00 179.25 180.22 3pgk h THR 375 N 0.32 0.94 -0.32 0.00 2.02 -0.68 0.31 112.91 115.50 3pgk h THR 375 Ca 0.38 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.49 3pgk h THR 375 Cb 0.59 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 3pgk h THR 375 CO -0.44 0.06 0.06 0.58 0.37 0.00 0.00 175.52 176.16 3pgk h VAL 376 N 0.33 0.85 0.25 3.16 2.07 0.21 0.37 116.25 123.49 3pgk h VAL 376 Ca 0.16 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 3pgk h VAL 376 Cb 0.10 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3pgk h VAL 376 CO -0.14 0.03 -0.13 0.00 0.02 0.00 0.00 177.57 177.36 3pgk h ALA 377 N 1.24 -0.35 -0.03 1.67 0.00 0.48 -0.70 119.26 121.57 3pgk h ALA 377 Ca 0.15 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3pgk h ALA 377 Cb 0.16 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3pgk h ALA 377 CO -0.20 -0.70 0.02 -0.22 0.00 0.00 0.00 179.25 178.16 3pgk h LYS 378 N -0.35 0.05 0.32 0.00 3.64 -0.03 0.81 116.57 121.00 3pgk h LYS 378 Ca -0.03 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3pgk h LYS 378 Cb 0.27 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3pgk h LYS 378 CO 0.05 0.07 -0.15 -0.22 -2.27 0.00 0.00 179.45 176.93 3pgk h LYS 379 N 0.01 -0.41 -0.43 1.90 3.64 -0.20 -2.82 116.57 118.25 3pgk h LYS 379 Ca 0.01 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3pgk h LYS 379 Cb 0.03 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3pgk h LYS 379 CO -0.00 -0.25 0.12 1.88 -2.27 0.00 0.00 179.45 178.94 3pgk h TYR 380 N -0.46 0.71 0.00 1.91 0.05 -1.16 -3.49 116.97 114.53 3pgk h TYR 380 Ca -0.04 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.66 3pgk h TYR 380 Cb 0.35 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.89 3pgk h TYR 380 CO -0.05 0.65 0.00 0.41 -1.05 0.00 0.00 178.16 178.12 3pgk n GLY 381 N -0.64 1.23 0.36 3.88 0.00 0.26 -4.94 105.19 105.34 3pgk n GLY 381 Ca 0.00 -0.85 0.07 0.00 0.00 0.00 0.00 46.02 45.24 3pgk n GLY 381 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3pgk n VAL 382 N 1.07 -0.42 -0.47 1.61 3.14 0.12 -4.82 118.33 118.56 3pgk n VAL 382 Ca 0.00 2.28 0.00 0.00 -2.96 0.00 0.00 64.34 63.66 3pgk n VAL 382 Cb 0.00 -3.17 0.00 0.00 -1.06 0.00 0.00 33.84 29.61 3pgk n VAL 382 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 3pgk n THR 383 N -5.62 -0.08 0.00 1.55 5.66 -1.26 -0.97 114.28 113.56 3pgk n THR 383 Ca 0.16 0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.18 3pgk n THR 383 Cb 0.52 -0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.17 3pgk n THR 383 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3pgk n ASP 384 N 1.36 0.00 0.00 1.09 9.92 -1.26 -4.85 116.55 122.81 3pgk n ASP 384 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3pgk n ASP 384 Cb 0.02 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 3pgk n ASP 384 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3pgk n LYS 385 N -1.84 0.00 -3.13 -1.24 5.02 -0.15 -4.47 118.16 112.36 3pgk n LYS 385 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 3pgk n LYS 385 Cb 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.91 3pgk n LYS 385 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3pgk n ILE 386 N 0.00 -1.77 0.00 -0.18 -6.64 -1.26 -4.62 119.36 104.89 3pgk n ILE 386 Ca 0.00 -0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 3pgk n ILE 386 Cb 0.00 -1.58 0.00 0.00 -1.44 0.00 0.00 39.64 36.62 3pgk n ILE 386 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 3pgk n SER 387 N -1.05 0.00 -4.11 7.28 2.88 -1.15 -0.80 113.62 116.67 3pgk n SER 387 Ca -0.17 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.07 3pgk n SER 387 Cb 0.38 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.67 3pgk n SER 387 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 3pgk s HIS 388 N -0.21 2.35 -0.44 0.66 2.46 0.44 -4.91 115.29 115.63 3pgk s HIS 388 Ca 0.00 -1.16 -0.11 0.00 0.47 0.00 0.00 55.06 54.27 3pgk s HIS 388 Cb 0.00 -1.64 0.09 0.00 -0.13 0.00 0.00 32.58 30.90 3pgk s HIS 388 CO 0.00 -0.56 0.31 0.08 -2.47 0.00 0.00 174.74 172.10 3pgk s VAL 389 N 0.91 4.45 -0.19 0.89 1.01 -1.25 0.12 120.40 126.35 3pgk s VAL 389 Ca -0.06 -1.41 0.01 0.00 0.00 0.00 0.00 61.98 60.52 3pgk s VAL 389 Cb -0.15 -3.75 0.25 0.00 0.00 0.00 0.00 36.38 32.73 3pgk s VAL 389 CO -0.02 -0.58 1.45 -0.24 0.00 0.00 0.00 175.10 175.71 3pgk n SER 390 N 4.98 3.70 0.00 3.32 2.88 -1.24 -4.91 113.62 122.35 3pgk n SER 390 Ca -0.10 -2.68 0.00 0.00 -1.33 0.00 0.00 58.87 54.76 3pgk n SER 390 Cb 0.43 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 3pgk n SER 390 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 3pgk n THR 391 N -0.06 0.00 -2.65 2.46 5.66 -1.26 -4.41 114.28 114.02 3pgk n THR 391 Ca 0.24 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.18 3pgk n THR 391 Cb 0.91 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.72 3pgk n THR 391 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3pgk n GLY 392 N 0.00 -0.72 0.28 1.09 0.00 -1.26 -4.44 105.19 100.15 3pgk n GLY 392 Ca 0.00 0.29 -0.06 0.00 0.00 0.00 0.00 46.02 46.25 3pgk n GLY 392 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3pgk h GLY 393 N -0.26 -0.03 0.41 -0.02 0.00 -1.74 0.15 103.07 101.58 3pgk h GLY 393 Ca -0.23 0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 3pgk h GLY 393 CO 0.26 -0.21 -0.10 -1.33 0.00 0.00 0.00 176.54 175.16 3pgk h GLY 394 N -0.18 -0.30 0.60 4.60 0.00 -1.87 -3.35 103.07 102.58 3pgk h GLY 394 Ca 0.19 0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.69 3pgk h GLY 394 CO -0.50 -0.11 0.19 0.00 0.00 0.00 0.00 176.54 176.12 3pgk h ALA 395 N -0.39 0.59 -0.35 3.60 0.00 -1.75 -0.61 119.26 120.34 3pgk h ALA 395 Ca -0.03 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3pgk h ALA 395 Cb 0.51 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3pgk h ALA 395 CO 0.05 -0.19 0.12 0.66 0.00 0.00 0.00 179.25 179.89 3pgk h SER 396 N 0.38 0.13 0.27 0.00 4.64 -1.19 -0.55 113.55 117.22 3pgk h SER 396 Ca 0.22 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 3pgk h SER 396 Cb 0.21 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3pgk h SER 396 CO -0.21 0.11 -0.18 0.25 -0.87 0.00 0.00 176.83 175.93 3pgk h LEU 397 N 0.27 -0.45 -0.65 5.97 6.46 -1.26 25.35 115.31 151.01 3pgk h LEU 397 Ca 0.16 0.03 0.09 0.00 -0.12 0.00 0.00 57.88 58.04 3pgk h LEU 397 Cb 0.14 0.14 -0.07 0.00 -0.73 0.00 0.00 40.66 40.13 3pgk h LEU 397 CO -0.17 -0.28 0.30 -0.08 -0.62 0.00 0.00 178.44 177.59 3pgk h GLU 398 N -0.44 0.50 -0.37 1.25 4.81 -1.38 6.07 114.58 125.02 3pgk h GLU 398 Ca -0.02 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3pgk h GLU 398 Cb 0.37 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 3pgk h GLU 398 CO 0.02 0.33 0.15 1.25 -0.73 0.00 0.00 179.01 180.03 3pgk h LEU 399 N 0.52 0.19 -0.87 1.64 6.46 0.87 0.13 115.31 124.25 3pgk h LEU 399 Ca 0.32 0.03 0.13 0.00 -0.12 0.00 0.00 57.88 58.25 3pgk h LEU 399 Cb 0.35 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 40.19 3pgk h LEU 399 CO -0.27 0.15 0.48 0.25 -0.62 0.00 0.00 178.44 178.43 3pgk h LEU 400 N 0.32 0.63 -0.46 2.25 6.46 6.55 -2.30 115.31 128.76 3pgk h LEU 400 Ca 0.17 0.08 0.09 0.00 -0.12 0.00 0.00 57.88 58.09 3pgk h LEU 400 Cb 0.12 -0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 39.94 3pgk h LEU 400 CO -0.15 0.30 0.01 -0.08 -0.62 0.00 0.00 178.44 177.91 3pgk h GLU 401 N 0.72 0.13 0.00 1.25 4.81 1.49 -3.47 114.58 119.51 3pgk h GLU 401 Ca 0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 3pgk h GLU 401 Cb 0.58 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3pgk h GLU 401 CO -0.32 0.08 0.00 0.41 -0.73 0.00 0.00 179.01 178.45 3pgk n GLY 402 N -1.30 0.57 3.09 1.92 0.00 -0.87 -4.67 105.19 103.93 3pgk n GLY 402 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 3pgk n GLY 402 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3pgk n LYS 403 N 0.00 -1.45 -0.18 1.61 4.81 -1.24 -2.13 118.16 119.58 3pgk n LYS 403 Ca 0.00 -0.42 -0.09 0.00 -0.87 0.00 0.00 58.31 56.93 3pgk n LYS 403 Cb 0.00 -1.43 0.03 0.00 0.02 0.00 0.00 35.03 33.66 3pgk n LYS 403 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3pgk h GLU 404 N -2.09 1.02 -3.47 1.64 5.08 -1.94 -3.32 114.58 111.50 3pgk h GLU 404 Ca -0.36 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 57.64 3pgk h GLU 404 Cb 1.05 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 3pgk h GLU 404 CO 0.24 1.04 -0.55 1.28 -1.00 0.00 0.00 179.01 180.02 3pgk n LEU 405 N -4.15 -4.04 0.37 1.33 4.32 -1.26 -4.51 117.00 109.05 3pgk n LEU 405 Ca 0.02 1.22 -0.17 0.00 -0.02 0.00 0.00 56.01 57.06 3pgk n LEU 405 Cb 0.39 -2.04 -0.09 0.00 -1.62 0.00 0.00 43.42 40.06 3pgk n LEU 405 CO 0.45 -1.52 0.59 1.55 -1.22 0.00 0.00 177.39 177.24 3pgk h PRO 406 N 1.92 -0.89 -0.45 3.23 0.13 -1.76 -1.85 132.00 132.32 3pgk h PRO 406 Ca -0.09 0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.11 3pgk h PRO 406 Cb 0.21 0.20 -0.03 0.00 0.13 0.00 0.00 31.00 31.51 3pgk h PRO 406 CO 0.00 -0.57 0.28 0.78 -0.23 0.00 0.00 178.00 178.26 3pgk h GLY 407 N -1.00 0.63 0.50 1.56 0.00 1.76 -2.46 103.07 104.07 3pgk h GLY 407 Ca -0.09 -0.21 0.08 0.00 0.00 0.00 0.00 47.33 47.10 3pgk h GLY 407 CO 0.16 0.19 0.27 -2.08 0.00 0.00 0.00 176.54 175.08 3pgk h VAL 408 N 0.57 0.84 -0.70 4.60 2.07 0.83 -2.10 116.25 122.36 3pgk h VAL 408 Ca 0.17 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.61 3pgk h VAL 408 Cb -0.02 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.01 3pgk h VAL 408 CO -0.06 0.09 0.37 0.00 0.02 0.00 0.00 177.57 177.98 3pgk h ALA 409 N 1.38 0.95 -0.91 1.67 0.00 -0.85 -0.93 119.26 120.58 3pgk h ALA 409 Ca 0.29 0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.41 3pgk h ALA 409 Cb 0.30 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.91 3pgk h ALA 409 CO -0.25 0.00 0.49 0.35 0.00 0.00 0.00 179.25 179.84 3pgk h PHE 410 N 0.65 0.86 -3.94 0.00 -0.00 -1.24 -3.39 116.94 109.88 3pgk h PHE 410 Ca 0.33 0.04 -0.51 0.00 -0.00 0.00 0.00 57.97 57.82 3pgk h PHE 410 Cb 0.29 -0.24 0.06 0.00 -0.00 0.00 0.00 35.95 36.05 3pgk h PHE 410 CO -0.09 0.18 0.52 -0.51 -0.00 0.00 0.00 178.31 178.41 3pgk s LEU 411 N -10.35 4.22 0.19 0.59 1.02 -0.35 -4.92 118.68 109.07 3pgk s LEU 411 Ca -0.12 2.40 0.00 0.00 0.02 0.00 0.00 54.13 56.44 3pgk s LEU 411 Cb 0.23 -3.98 0.00 0.00 0.02 0.00 0.00 46.19 42.46 3pgk s LEU 411 CO 0.79 -0.68 0.00 -0.24 0.02 0.00 0.00 176.35 176.23 3pgk n SER 412 N 0.14 0.27 0.00 2.29 2.88 -1.26 -4.96 113.62 112.98 3pgk n SER 412 Ca 0.04 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 3pgk n SER 412 Cb 0.46 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 3pgk n SER 412 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3pgk n GLU 413 N -3.39 0.00 -1.59 -1.46 1.02 -1.24 -3.85 120.64 110.13 3pgk n GLU 413 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3pgk n GLU 413 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.45 3pgk n GLU 413 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3pgk n LYS 414 N 0.00 -4.39 0.00 3.49 4.81 -0.36 -4.77 118.16 116.94 3pgk n LYS 414 Ca 0.00 3.17 0.00 0.00 -0.87 0.00 0.00 58.31 60.61 3pgk n LYS 414 Cb 0.00 -3.47 0.00 0.00 0.02 0.00 0.00 35.03 31.58 3pgk n LYS 414 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20