#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pfk s ILE 1 N 0.00 3.00 -0.03 1.12 -4.36 -1.26 -4.97 121.20 114.69 2pfk s ILE 1 Ca 0.00 1.01 0.02 0.00 -0.26 0.00 0.00 60.65 61.42 2pfk s ILE 1 Cb 0.00 -3.64 -0.04 0.00 1.25 0.00 0.00 42.46 40.03 2pfk s ILE 1 CO 0.00 0.24 0.00 0.29 0.24 0.00 0.00 174.94 175.71 2pfk n LYS 2 N 0.99 2.69 -3.76 0.37 4.01 -1.26 -4.96 118.16 116.24 2pfk n LYS 2 Ca -0.00 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.68 2pfk n LYS 2 Cb 0.43 -1.08 -0.13 0.00 -0.51 0.00 0.00 35.03 33.74 2pfk n LYS 2 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2pfk s LYS 3 N -2.08 0.22 0.15 1.97 2.20 -1.26 -2.39 119.74 118.54 2pfk s LYS 3 Ca -0.03 0.42 0.07 0.00 -0.36 0.00 0.00 55.97 56.07 2pfk s LYS 3 Cb 0.01 -0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.27 2pfk s LYS 3 CO 0.13 -0.11 -0.15 0.96 -0.36 0.00 0.00 175.35 175.82 2pfk s ILE 4 N 0.76 1.56 0.07 5.43 -4.36 -0.23 0.89 121.20 125.33 2pfk s ILE 4 Ca -0.05 -1.91 0.05 0.00 -0.26 0.00 0.00 60.65 58.48 2pfk s ILE 4 Cb -0.07 -1.76 -0.04 0.00 1.25 0.00 0.00 42.46 41.85 2pfk s ILE 4 CO -0.04 -0.44 -0.04 -0.83 0.24 0.00 0.00 174.94 173.82 2pfk s GLY 5 N -2.74 1.85 -0.02 6.27 0.00 -0.11 -0.86 107.32 111.71 2pfk s GLY 5 Ca 0.14 -1.13 0.02 0.00 0.00 0.00 0.00 44.72 43.76 2pfk s GLY 5 CO 0.05 -1.08 -0.08 0.54 0.00 0.00 0.00 173.10 172.52 2pfk s VAL 6 N -1.22 0.72 0.11 1.40 0.11 0.31 -0.26 120.40 121.58 2pfk s VAL 6 Ca 0.23 -0.34 -0.11 0.00 -2.93 0.00 0.00 61.98 58.82 2pfk s VAL 6 Cb -0.11 -0.64 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 2pfk s VAL 6 CO 0.15 0.22 0.27 -1.48 -3.33 0.00 0.00 175.10 170.93 2pfk s LEU 7 N 0.11 1.03 -0.08 2.54 0.05 -0.98 -0.58 118.68 120.77 2pfk s LEU 7 Ca -0.02 -0.58 0.05 0.00 0.05 0.00 0.00 54.13 53.63 2pfk s LEU 7 Cb -0.07 1.32 -0.00 0.00 -2.05 0.00 0.00 46.19 45.38 2pfk s LEU 7 CO 0.00 -0.80 -0.24 0.42 -0.55 0.00 0.00 176.35 175.19 2pfk s THR 8 N -3.86 1.99 0.01 5.48 -4.23 -1.26 -0.11 115.64 113.67 2pfk s THR 8 Ca 0.06 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 2pfk s THR 8 Cb 0.04 -1.70 -0.01 0.00 1.34 0.00 0.00 72.50 72.16 2pfk s THR 8 CO -0.10 0.55 -0.03 -0.55 -0.54 0.00 0.00 174.62 173.96 2pfk s SER 9 N 0.10 0.24 0.00 3.99 0.15 -0.13 -2.26 113.70 115.80 2pfk s SER 9 Ca -0.11 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.27 2pfk s SER 9 Cb -0.16 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 2pfk s SER 9 CO 0.06 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2pfk n GLY 10 N 2.30 -1.90 3.75 9.45 0.00 -1.26 -3.63 105.19 113.91 2pfk n GLY 10 Ca -0.18 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 2pfk n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pfk s GLY 11 N -0.03 2.85 0.82 -0.02 0.00 -1.26 -4.68 107.32 105.00 2pfk s GLY 11 Ca 0.00 1.01 -0.12 0.00 0.00 0.00 0.00 44.72 45.62 2pfk s GLY 11 CO 0.00 1.77 1.15 0.51 0.00 0.00 0.00 173.10 176.53 2pfk s ASP 12 N -0.32 3.76 -0.10 1.64 -4.77 -1.26 -4.81 116.67 110.82 2pfk s ASP 12 Ca 0.50 2.14 -0.09 0.00 -3.30 0.00 0.00 52.55 51.79 2pfk s ASP 12 Cb -0.34 -2.56 0.03 0.00 -1.09 0.00 0.00 42.92 38.95 2pfk s ASP 12 CO 0.42 -2.54 0.27 0.00 0.70 0.00 0.00 175.17 174.01 2pfk s ALA 13 N -2.51 -0.66 0.06 2.11 0.00 -1.26 -4.72 121.76 114.78 2pfk s ALA 13 Ca 0.67 0.75 -0.32 0.00 0.00 0.00 0.00 51.96 53.06 2pfk s ALA 13 Cb -0.23 -0.43 -0.11 0.00 0.00 0.00 0.00 23.12 22.35 2pfk s ALA 13 CO 0.53 -0.13 1.87 -2.30 0.00 0.00 0.00 175.76 175.74 2pfk n PRO 14 N 2.92 2.66 0.00 0.00 -0.02 -1.26 -1.67 135.00 137.63 2pfk n PRO 14 Ca -0.13 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2pfk n PRO 14 Cb 0.58 -2.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 2pfk n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pfk n GLY 15 N 4.31 1.78 0.37 -1.23 0.00 -1.26 -3.25 105.19 105.91 2pfk n GLY 15 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.32 2pfk n GLY 15 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2pfk h MET 16 N 0.53 0.67 -0.53 1.61 2.86 -1.48 -0.47 114.93 118.11 2pfk h MET 16 Ca 0.00 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 2pfk h MET 16 Cb 0.00 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 2pfk h MET 16 CO 0.00 0.44 -0.09 -0.91 1.06 0.00 0.00 176.91 177.42 2pfk h ASN 17 N 0.69 0.99 -0.81 1.22 2.35 -1.78 -1.41 115.58 116.84 2pfk h ASN 17 Ca 0.39 -0.34 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 2pfk h ASN 17 Cb 0.57 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 2pfk h ASN 17 CO -0.16 1.10 0.36 0.00 -1.65 0.00 0.00 177.43 177.08 2pfk h ALA 18 N 0.92 1.04 0.09 -0.83 0.00 -1.37 -1.55 119.26 117.57 2pfk h ALA 18 Ca 0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pfk h ALA 18 Cb 0.65 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2pfk h ALA 18 CO 0.04 0.64 -0.04 0.00 0.00 0.00 0.00 179.25 179.89 2pfk h ALA 19 N 1.19 -0.12 -0.86 0.00 0.00 -0.96 -1.10 119.26 117.41 2pfk h ALA 19 Ca 0.27 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2pfk h ALA 19 Cb 0.17 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2pfk h ALA 19 CO -0.03 -0.47 0.56 0.82 0.00 0.00 0.00 179.25 180.13 2pfk h ILE 20 N -0.31 1.14 -0.73 0.00 2.04 -1.11 -1.16 117.51 117.38 2pfk h ILE 20 Ca -0.01 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2pfk h ILE 20 Cb 0.26 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 2pfk h ILE 20 CO 0.02 0.19 0.40 -0.09 0.00 0.00 0.00 178.15 178.68 2pfk h ARG 21 N 1.06 1.01 0.45 2.37 2.43 -1.07 -1.40 114.38 119.24 2pfk h ARG 21 Ca 0.34 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 2pfk h ARG 21 Cb 0.04 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2pfk h ARG 21 CO -0.10 0.75 -0.21 0.78 -1.51 0.00 0.00 179.97 179.67 2pfk h GLY 22 N 1.00 -0.63 0.50 2.80 0.00 -0.05 0.16 103.07 106.85 2pfk h GLY 22 Ca 0.26 0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.85 2pfk h GLY 22 CO -0.04 -0.23 -0.20 -2.08 0.00 0.00 0.00 176.54 173.99 2pfk h VAL 23 N -0.67 0.52 -0.17 4.60 2.07 -1.26 -2.21 116.25 119.11 2pfk h VAL 23 Ca -0.06 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.48 2pfk h VAL 23 Cb 0.50 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2pfk h VAL 23 CO 0.10 0.00 0.04 0.58 0.02 0.00 0.00 177.57 178.31 2pfk h VAL 24 N -0.31 0.93 -0.53 2.57 2.07 -1.15 -0.93 116.25 118.90 2pfk h VAL 24 Ca 0.06 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.45 2pfk h VAL 24 Cb 0.40 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2pfk h VAL 24 CO -0.20 0.02 -0.05 0.03 0.02 0.00 0.00 177.57 177.39 2pfk h ARG 25 N 0.11 0.93 0.30 1.57 3.08 -0.89 -2.23 114.38 117.26 2pfk h ARG 25 Ca 0.08 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 2pfk h ARG 25 Cb 0.07 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2pfk h ARG 25 CO -0.10 0.95 -0.15 0.77 -1.07 0.00 0.00 179.97 180.38 2pfk h SER 26 N 0.85 -0.34 -0.72 7.04 0.02 -1.32 -2.65 113.55 116.42 2pfk h SER 26 Ca 0.15 -0.16 0.16 0.00 -0.84 0.00 0.00 61.79 61.09 2pfk h SER 26 Cb 0.57 0.09 -0.11 0.00 0.14 0.00 0.00 62.40 63.09 2pfk h SER 26 CO 0.03 -0.01 0.16 0.00 -1.14 0.00 0.00 176.83 175.88 2pfk h ALA 27 N -0.12 0.92 -0.30 3.77 0.00 -1.16 -0.95 119.26 121.41 2pfk h ALA 27 Ca -0.04 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2pfk h ALA 27 Cb 0.48 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2pfk h ALA 27 CO 0.07 -0.34 0.03 -0.07 0.00 0.00 0.00 179.25 178.93 2pfk h LEU 28 N 0.26 0.50 -1.21 0.00 4.07 -1.41 -0.95 115.31 116.56 2pfk h LEU 28 Ca 0.41 -0.28 0.14 0.00 0.08 0.00 0.00 57.88 58.22 2pfk h LEU 28 Cb 0.69 -0.13 -0.07 0.00 1.08 0.00 0.00 40.66 42.22 2pfk h LEU 28 CO -0.51 0.66 0.59 0.74 -1.08 0.00 0.00 178.44 178.85 2pfk h THR 29 N 0.33 0.85 -0.40 0.22 2.02 -0.84 0.13 112.91 115.21 2pfk h THR 29 Ca 0.09 -0.26 -0.10 0.00 0.77 0.00 0.00 66.41 66.91 2pfk h THR 29 Cb 0.39 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.76 2pfk h THR 29 CO 0.01 0.14 0.12 -0.62 0.37 0.00 0.00 175.52 175.54 2pfk n GLU 30 N -4.58 2.70 -0.87 6.66 -0.58 -0.62 -4.94 120.64 118.41 2pfk n GLU 30 Ca 0.18 -1.75 0.00 0.00 -0.42 0.00 0.00 57.16 55.17 2pfk n GLU 30 Cb 0.45 -1.84 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 2pfk n GLU 30 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pfk n GLY 31 N 0.09 0.12 3.91 0.62 0.00 0.45 -5.01 105.19 105.36 2pfk n GLY 31 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 2pfk n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pfk s LEU 32 N 0.00 2.54 -0.01 0.99 1.43 -0.38 -4.99 118.68 118.27 2pfk s LEU 32 Ca 0.00 0.70 0.06 0.00 -1.03 0.00 0.00 54.13 53.86 2pfk s LEU 32 Cb 0.00 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 2pfk s LEU 32 CO 0.00 -1.99 -0.18 -1.61 0.23 0.00 0.00 176.35 172.80 2pfk s GLU 33 N -5.59 2.27 -0.03 1.70 2.02 -1.01 -4.30 118.70 113.76 2pfk s GLU 33 Ca 0.63 -0.84 0.06 0.00 0.02 0.00 0.00 54.97 54.84 2pfk s GLU 33 Cb -0.10 -2.24 -0.01 0.00 0.10 0.00 0.00 34.13 31.88 2pfk s GLU 33 CO 0.49 0.58 -0.21 0.08 0.02 0.00 0.00 175.26 176.22 2pfk s VAL 34 N -0.77 1.68 -0.16 2.63 1.01 -1.26 -1.06 120.40 122.47 2pfk s VAL 34 Ca 0.12 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2pfk s VAL 34 Cb -0.10 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.89 2pfk s VAL 34 CO 0.02 0.47 -0.20 -0.04 0.00 0.00 0.00 175.10 175.35 2pfk s MET 35 N -0.37 2.88 -0.08 2.72 -1.94 -0.04 -2.26 119.30 120.20 2pfk s MET 35 Ca 0.05 -0.79 -0.19 0.00 -1.71 0.00 0.00 55.69 53.05 2pfk s MET 35 Cb -0.09 -2.43 -0.05 0.00 2.01 0.00 0.00 34.83 34.27 2pfk s MET 35 CO 0.00 -0.13 0.50 0.20 -0.01 0.00 0.00 175.02 175.58 2pfk s GLY 36 N 1.12 2.46 -0.22 -0.03 0.00 0.26 -0.53 107.32 110.38 2pfk s GLY 36 Ca -0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 44.72 44.52 2pfk s GLY 36 CO -0.08 0.72 0.04 -0.42 0.00 0.00 0.00 173.10 173.36 2pfk s ILE 37 N 0.29 4.26 0.37 0.90 1.01 0.25 -0.15 121.20 128.12 2pfk s ILE 37 Ca 0.27 -0.20 -0.25 0.00 0.00 0.00 0.00 60.65 60.47 2pfk s ILE 37 Cb -0.16 -2.95 -0.09 0.00 0.01 0.00 0.00 42.46 39.27 2pfk s ILE 37 CO 0.12 0.40 1.01 -0.31 0.00 0.00 0.00 174.94 176.16 2pfk s TYR 38 N 1.12 3.42 -1.40 3.97 2.02 -0.78 -4.23 117.35 121.46 2pfk s TYR 38 Ca 0.03 1.69 -0.03 0.00 -0.37 0.00 0.00 57.07 58.40 2pfk s TYR 38 Cb -0.14 -3.05 0.02 0.00 -0.40 0.00 0.00 41.96 38.38 2pfk s TYR 38 CO 0.02 -0.32 0.60 -0.25 -1.57 0.00 0.00 175.55 174.03 2pfk n ASP 39 N 0.15 -1.28 0.00 2.29 10.43 -0.08 -1.92 116.55 126.14 2pfk n ASP 39 Ca 0.04 -0.92 0.00 0.00 2.57 0.00 0.00 54.79 56.48 2pfk n ASP 39 Cb 0.50 -3.48 0.00 0.00 1.84 0.00 0.00 41.12 39.97 2pfk n ASP 39 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pfk n GLY 40 N -1.77 3.01 0.28 0.44 0.00 -0.96 -2.55 105.19 103.64 2pfk n GLY 40 Ca -0.24 -0.35 0.18 0.00 0.00 0.00 0.00 46.02 45.60 2pfk n GLY 40 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2pfk h TYR 41 N 0.00 0.00 -0.22 1.61 0.05 -1.85 -2.91 116.97 113.65 2pfk h TYR 41 Ca 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 2pfk h TYR 41 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 2pfk h TYR 41 CO 0.00 0.00 -0.27 1.25 -1.05 0.00 0.00 178.16 178.09 2pfk h LEU 42 N 0.00 0.61 -0.40 3.88 5.85 -1.75 -1.27 115.31 122.23 2pfk h LEU 42 Ca 0.00 -0.50 -0.07 0.00 0.84 0.00 0.00 57.88 58.15 2pfk h LEU 42 Cb 0.46 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2pfk h LEU 42 CO 0.00 0.99 -0.34 1.23 -0.34 0.00 0.00 178.44 179.99 2pfk h GLY 43 N 0.25 0.00 0.86 3.75 0.00 -1.32 -1.22 103.07 105.40 2pfk h GLY 43 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2pfk h GLY 43 CO 0.06 0.00 -0.06 -2.00 0.00 0.00 0.00 176.54 174.54 2pfk h LEU 44 N 0.00 -0.15 -1.04 3.11 5.85 -1.41 0.11 115.31 121.78 2pfk h LEU 44 Ca -0.00 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2pfk h LEU 44 Cb 1.10 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 2pfk h LEU 44 CO 0.04 0.02 0.22 0.22 -0.34 0.00 0.00 178.44 178.61 2pfk h TYR 45 N -0.32 0.92 -0.01 1.25 3.20 -1.08 -3.04 116.97 117.90 2pfk h TYR 45 Ca -0.02 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2pfk h TYR 45 Cb 0.25 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.25 2pfk h TYR 45 CO -0.02 0.72 -0.31 0.39 -1.64 0.00 0.00 178.16 177.30 2pfk n GLU 46 N -4.30 0.66 -3.09 1.82 1.02 -0.47 -4.74 120.64 111.53 2pfk n GLU 46 Ca 0.05 -0.39 -0.15 0.00 -0.02 0.00 0.00 57.16 56.66 2pfk n GLU 46 Cb 0.18 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.16 2pfk n GLU 46 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2pfk n ASP 47 N -0.83 -4.65 -4.31 1.62 2.03 0.18 -4.99 116.55 105.60 2pfk n ASP 47 Ca 0.11 -0.30 -0.46 0.00 0.52 0.00 0.00 54.79 54.66 2pfk n ASP 47 Cb 0.34 -3.29 -0.05 0.00 -0.72 0.00 0.00 41.12 37.40 2pfk n ASP 47 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2pfk s ARG 48 N -5.70 2.96 0.26 -0.67 0.52 0.05 -5.02 118.95 111.35 2pfk s ARG 48 Ca 0.33 -1.70 0.01 0.00 -0.52 0.00 0.00 55.73 53.85 2pfk s ARG 48 Cb -0.15 -4.27 -0.05 0.00 0.52 0.00 0.00 34.95 31.01 2pfk s ARG 48 CO 0.41 -1.31 0.12 -1.64 0.02 0.00 0.00 175.30 172.90 2pfk s MET 49 N 1.59 1.43 -0.04 3.54 -1.94 -1.26 -1.87 119.30 120.75 2pfk s MET 49 Ca 0.03 -1.79 -0.13 0.00 -1.71 0.00 0.00 55.69 52.10 2pfk s MET 49 Cb -0.30 -0.13 0.02 0.00 2.01 0.00 0.00 34.83 36.44 2pfk s MET 49 CO 0.03 -0.36 0.29 0.54 -0.01 0.00 0.00 175.02 175.51 2pfk s VAL 50 N -3.78 0.05 -0.20 -6.03 0.11 0.78 -4.95 120.40 106.38 2pfk s VAL 50 Ca 0.37 -0.37 -0.23 0.00 -2.93 0.00 0.00 61.98 58.82 2pfk s VAL 50 Cb 0.07 -0.55 -0.02 0.00 -1.53 0.00 0.00 36.38 34.35 2pfk s VAL 50 CO 0.15 -0.21 0.74 -1.58 -3.33 0.00 0.00 175.10 170.87 2pfk s GLN 51 N -0.94 4.23 -0.16 1.54 2.00 -1.26 0.93 119.66 125.99 2pfk s GLN 51 Ca -0.10 0.81 -0.11 0.00 -2.00 0.00 0.00 55.36 53.96 2pfk s GLN 51 Cb -0.05 -3.60 -0.05 0.00 0.80 0.00 0.00 33.01 30.12 2pfk s GLN 51 CO 0.03 -0.34 0.19 -0.51 -0.50 0.00 0.00 175.29 174.16 2pfk s LEU 52 N 2.23 4.27 0.00 3.68 1.43 -0.96 -4.92 118.68 124.41 2pfk s LEU 52 Ca 0.33 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 2pfk s LEU 52 Cb -0.16 -2.19 -0.00 0.00 0.03 0.00 0.00 46.19 43.87 2pfk s LEU 52 CO 0.10 0.21 0.02 -0.90 0.23 0.00 0.00 176.35 176.01 2pfk n ASP 53 N 3.16 1.98 -0.24 2.29 3.85 -1.26 -4.44 116.55 121.89 2pfk n ASP 53 Ca -0.15 -1.93 -0.07 0.00 -0.71 0.00 0.00 54.79 51.92 2pfk n ASP 53 Cb 0.53 0.27 0.04 0.00 -1.35 0.00 0.00 41.12 40.60 2pfk n ASP 53 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 2pfk h ARG 54 N 0.00 1.02 -0.61 0.11 2.47 -2.00 -3.07 114.38 112.30 2pfk h ARG 54 Ca -0.16 -0.19 -0.07 0.00 -1.26 0.00 0.00 59.98 58.30 2pfk h ARG 54 Cb 0.53 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 2pfk h ARG 54 CO 0.26 0.86 0.11 -0.92 0.56 0.00 0.00 179.97 180.84 2pfk h TYR 55 N 0.96 1.07 0.00 3.04 3.20 -1.99 -2.88 116.97 120.38 2pfk h TYR 55 Ca 0.22 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2pfk h TYR 55 Cb 0.23 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.20 2pfk h TYR 55 CO 0.02 0.92 0.00 -1.13 -1.64 0.00 0.00 178.16 176.32 2pfk n SER 56 N -4.29 0.42 0.00 -2.11 3.41 -1.16 -2.57 113.62 107.31 2pfk n SER 56 Ca 0.03 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 2pfk n SER 56 Cb 0.28 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 2pfk n SER 56 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2pfk n VAL 57 N -1.99 0.39 0.05 -3.33 0.24 -1.20 -4.82 118.33 107.67 2pfk n VAL 57 Ca 0.02 -0.54 0.15 0.00 -2.04 0.00 0.00 64.34 61.92 2pfk n VAL 57 Cb 0.15 0.94 0.63 0.00 -1.47 0.00 0.00 33.84 34.10 2pfk n VAL 57 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2pfk h SER 58 N 0.00 0.08 -0.31 -1.34 4.64 -1.27 -2.51 113.55 112.85 2pfk h SER 58 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pfk h SER 58 Cb 0.44 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2pfk h SER 58 CO 0.00 0.05 0.00 -0.67 -0.87 0.00 0.00 176.83 175.34 2pfk n ASP 59 N -4.44 3.40 0.06 4.97 2.03 -1.26 -4.79 116.55 116.51 2pfk n ASP 59 Ca 0.06 -2.49 0.13 0.00 0.52 0.00 0.00 54.79 53.01 2pfk n ASP 59 Cb 0.41 -0.38 0.38 0.00 -0.72 0.00 0.00 41.12 40.81 2pfk n ASP 59 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2pfk n MET 60 N 0.02 0.18 0.11 -0.67 2.81 -0.95 -4.43 117.12 114.21 2pfk n MET 60 Ca 0.16 0.11 0.02 0.00 -1.81 0.00 0.00 57.70 56.18 2pfk n MET 60 Cb 0.65 -1.67 0.37 0.00 -0.71 0.00 0.00 33.22 31.86 2pfk n MET 60 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 2pfk h ILE 61 N 0.00 1.19 -0.29 2.02 2.10 -1.84 -3.07 117.51 117.63 2pfk h ILE 61 Ca 0.00 -0.86 0.00 0.00 1.08 0.00 0.00 64.86 65.08 2pfk h ILE 61 Cb 0.66 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 37.65 2pfk h ILE 61 CO 0.00 0.27 0.00 -0.46 -1.08 0.00 0.00 178.15 176.88 2pfk n ASN 62 N -4.25 3.14 -4.74 2.19 6.94 -1.26 -4.64 115.26 112.65 2pfk n ASN 62 Ca -0.01 -1.92 -0.39 0.00 -0.02 0.00 0.00 54.58 52.24 2pfk n ASN 62 Cb 0.29 -0.18 -0.05 0.00 -2.36 0.00 0.00 39.78 37.48 2pfk n ASN 62 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 2pfk s ARG 63 N -1.42 4.39 0.90 -3.83 6.06 -1.16 -4.18 118.95 119.71 2pfk s ARG 63 Ca 0.32 0.80 -0.14 0.00 -2.50 0.00 0.00 55.73 54.21 2pfk s ARG 63 Cb 0.19 -3.39 0.15 0.00 0.06 0.00 0.00 34.95 31.96 2pfk s ARG 63 CO 0.27 0.22 1.26 0.20 -2.50 0.00 0.00 175.30 174.75 2pfk s GLY 64 N 0.29 1.69 0.00 8.12 0.00 -1.22 -4.44 107.32 111.77 2pfk s GLY 64 Ca 0.34 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 44.11 2pfk s GLY 64 CO 0.17 -0.30 0.00 0.61 0.00 0.00 0.00 173.10 173.58 2pfk n GLY 65 N -3.52 -1.26 2.92 0.20 0.00 -1.26 -4.75 105.19 97.51 2pfk n GLY 65 Ca 0.12 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 2pfk n GLY 65 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2pfk s THR 66 N 0.00 1.27 -0.85 2.61 -1.32 -1.26 -3.48 115.64 112.60 2pfk s THR 66 Ca 0.00 -0.74 0.11 0.00 -1.21 0.00 0.00 61.69 59.84 2pfk s THR 66 Cb 0.00 -1.42 0.10 0.00 -1.51 0.00 0.00 72.50 69.67 2pfk s THR 66 CO 0.00 0.14 1.33 2.22 -2.21 0.00 0.00 174.62 176.10 2pfk n PHE 67 N 4.82 0.17 0.76 9.09 1.16 -1.26 -2.27 117.46 129.93 2pfk n PHE 67 Ca -0.13 0.08 0.11 0.00 -1.87 0.00 0.00 57.45 55.64 2pfk n PHE 67 Cb 0.47 -0.63 -0.02 0.00 -1.61 0.00 0.00 39.48 37.70 2pfk n PHE 67 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2pfk n LEU 68 N -1.67 0.69 0.00 5.98 4.77 -1.26 -5.08 117.00 120.44 2pfk n LEU 68 Ca 0.01 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2pfk n LEU 68 Cb 0.09 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2pfk n LEU 68 CO 0.08 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 2pfk n GLY 69 N 1.43 -1.39 3.04 -0.72 0.00 -0.96 -0.90 105.19 105.68 2pfk n GLY 69 Ca 0.03 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 2pfk n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pfk s SER 70 N -4.06 -0.07 0.30 1.61 0.15 -1.26 -3.65 113.70 106.72 2pfk s SER 70 Ca 0.00 0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.78 2pfk s SER 70 Cb 0.00 0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.52 2pfk s SER 70 CO 0.00 -0.15 0.18 0.00 1.20 0.00 0.00 173.24 174.47 2pfk s ALA 71 N -0.42 1.83 -0.24 5.45 0.00 -1.24 -4.86 121.76 122.29 2pfk s ALA 71 Ca -0.05 -1.81 -0.00 0.00 0.00 0.00 0.00 51.96 50.10 2pfk s ALA 71 Cb -0.03 1.26 0.03 0.00 0.00 0.00 0.00 23.12 24.38 2pfk s ALA 71 CO 0.00 -0.55 -0.10 1.03 0.00 0.00 0.00 175.76 176.14 2pfk s ARG 72 N -3.78 2.73 -0.48 0.00 3.00 -1.26 -4.05 118.95 115.11 2pfk s ARG 72 Ca 0.37 -1.04 0.04 0.00 0.00 0.00 0.00 55.73 55.11 2pfk s ARG 72 Cb 0.05 -2.89 0.17 0.00 0.00 0.00 0.00 34.95 32.28 2pfk s ARG 72 CO 0.19 -0.40 0.37 0.12 0.00 0.00 0.00 175.30 175.58 2pfk s PHE 73 N 1.27 1.64 0.32 -0.53 5.36 -1.26 -4.95 117.98 119.83 2pfk s PHE 73 Ca -0.01 -2.55 0.32 0.00 -0.96 0.00 0.00 56.93 53.72 2pfk s PHE 73 Cb -0.17 -1.32 1.52 0.00 -0.34 0.00 0.00 43.02 42.71 2pfk s PHE 73 CO -0.06 -0.76 2.06 -1.35 -1.46 0.00 0.00 175.22 173.64 2pfk h PRO 74 N 5.58 0.00 0.00 10.12 0.11 -2.02 -2.87 132.00 142.93 2pfk h PRO 74 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 2pfk h PRO 74 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2pfk h PRO 74 CO 0.45 0.08 0.00 0.39 -0.21 0.00 0.00 178.00 178.71 2pfk n GLU 75 N -3.34 0.11 0.00 1.05 4.71 -1.26 -1.79 120.64 120.12 2pfk n GLU 75 Ca -0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.16 57.28 2pfk n GLU 75 Cb 0.26 -1.48 0.60 0.00 -1.01 0.00 0.00 31.44 29.81 2pfk n GLU 75 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2pfk n PHE 76 N -0.98 0.00 0.38 -0.32 7.35 -1.08 -2.78 117.46 120.03 2pfk n PHE 76 Ca 0.03 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.85 2pfk n PHE 76 Cb 0.01 -0.33 0.46 0.00 0.35 0.00 0.00 39.48 39.97 2pfk n PHE 76 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2pfk h ARG 77 N 0.14 0.00 -5.45 -4.13 3.08 -1.63 -3.44 114.38 102.96 2pfk h ARG 77 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2pfk h ARG 77 Cb 0.41 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.35 2pfk h ARG 77 CO 0.00 0.00 -0.10 0.34 -1.07 0.00 0.00 179.97 179.14 2pfk s ASP 78 N -5.09 6.48 0.25 7.04 -1.08 -1.12 -4.99 116.67 118.16 2pfk s ASP 78 Ca 0.05 0.57 -0.03 0.00 -0.52 0.00 0.00 52.55 52.63 2pfk s ASP 78 Cb 0.09 -2.27 0.52 0.00 -1.46 0.00 0.00 42.92 39.80 2pfk s ASP 78 CO 0.54 -0.17 1.69 -0.08 0.52 0.00 0.00 175.17 177.67 2pfk h GLU 79 N 7.57 0.30 -0.18 4.34 4.22 -1.88 0.14 114.58 129.10 2pfk h GLU 79 Ca -0.33 -0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.03 2pfk h GLU 79 Cb 1.15 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2pfk h GLU 79 CO 0.72 0.20 -0.13 -0.91 -2.18 0.00 0.00 179.01 176.71 2pfk h ASN 80 N 0.31 0.27 0.14 1.04 2.35 -1.94 0.16 115.58 117.92 2pfk h ASN 80 Ca 0.45 -0.06 -0.22 0.00 -0.55 0.00 0.00 56.30 55.92 2pfk h ASN 80 Cb 0.78 -0.07 0.02 0.00 0.05 0.00 0.00 38.32 39.09 2pfk h ASN 80 CO -0.51 0.44 -1.03 0.40 -1.65 0.00 0.00 177.43 175.08 2pfk h ILE 81 N 0.27 1.36 -0.33 2.81 2.04 -1.22 -3.25 117.51 119.19 2pfk h ILE 81 Ca 0.05 -2.51 -0.01 0.00 1.00 0.00 0.00 64.86 63.40 2pfk h ILE 81 Cb 0.41 3.05 -0.02 0.00 -0.74 0.00 0.00 36.82 39.52 2pfk h ILE 81 CO 0.02 0.72 0.17 0.03 0.00 0.00 0.00 178.15 179.09 2pfk h ARG 82 N -0.33 0.45 -0.54 2.37 3.08 -0.59 -2.09 114.38 116.73 2pfk h ARG 82 Ca -0.20 -0.04 0.10 0.00 0.07 0.00 0.00 59.98 59.92 2pfk h ARG 82 Cb 1.70 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 31.58 2pfk h ARG 82 CO 0.13 0.34 0.05 0.00 -1.07 0.00 0.00 179.97 179.42 2pfk h ALA 83 N 1.74 0.57 -0.03 0.04 0.00 -0.75 -1.15 119.26 119.68 2pfk h ALA 83 Ca 0.12 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 2pfk h ALA 83 Cb 0.03 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2pfk h ALA 83 CO -0.02 -0.36 -0.48 0.28 0.00 0.00 0.00 179.25 178.67 2pfk h VAL 84 N 0.17 1.35 0.10 0.00 2.07 -1.42 -2.18 116.25 116.34 2pfk h VAL 84 Ca 0.28 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 2pfk h VAL 84 Cb 0.42 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2pfk h VAL 84 CO -0.42 0.48 -0.05 0.00 0.02 0.00 0.00 177.57 177.61 2pfk h ALA 85 N 1.46 -0.13 -0.04 1.67 0.00 -0.91 -1.41 119.26 119.88 2pfk h ALA 85 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2pfk h ALA 85 Cb 0.88 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2pfk h ALA 85 CO 0.07 -0.54 0.02 0.82 0.00 0.00 0.00 179.25 179.62 2pfk h ILE 86 N -0.20 1.08 -0.62 0.00 2.04 -1.31 -0.19 117.51 118.30 2pfk h ILE 86 Ca -0.01 -0.23 0.12 0.00 1.00 0.00 0.00 64.86 65.74 2pfk h ILE 86 Cb 0.17 1.15 -0.09 0.00 -0.74 0.00 0.00 36.82 37.31 2pfk h ILE 86 CO 0.02 0.07 0.14 -0.33 0.00 0.00 0.00 178.15 178.05 2pfk h GLU 87 N -0.02 0.26 0.02 2.37 4.39 -1.33 0.66 114.58 120.93 2pfk h GLU 87 Ca 0.02 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2pfk h GLU 87 Cb 0.09 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2pfk h GLU 87 CO -0.00 0.17 -0.07 -0.91 -1.16 0.00 0.00 179.01 177.04 2pfk h ASN 88 N 0.27 -0.20 -0.34 1.42 2.35 -0.91 0.45 115.58 118.61 2pfk h ASN 88 Ca 0.33 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 56.11 2pfk h ASN 88 Cb 0.49 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 2pfk h ASN 88 CO -0.41 -0.11 0.22 -0.07 -1.65 0.00 0.00 177.43 175.41 2pfk h LEU 89 N -0.14 0.37 0.71 1.61 3.38 -0.15 -2.34 115.31 118.75 2pfk h LEU 89 Ca 0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2pfk h LEU 89 Cb 0.16 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2pfk h LEU 89 CO -0.06 0.27 -0.38 0.11 0.09 0.00 0.00 178.44 178.48 2pfk h LYS 90 N 0.45 -0.96 -0.99 1.13 1.79 0.64 0.73 116.57 119.36 2pfk h LYS 90 Ca 0.13 0.07 0.29 0.00 -2.18 0.00 0.00 60.65 58.95 2pfk h LYS 90 Cb -0.04 0.22 -0.18 0.00 -1.58 0.00 0.00 32.23 30.65 2pfk h LYS 90 CO -0.04 -0.64 0.08 1.17 -1.08 0.00 0.00 179.45 178.94 2pfk n LYS 91 N -4.79 -0.08 0.24 3.15 4.81 0.15 0.93 118.16 122.58 2pfk n LYS 91 Ca -0.12 1.47 0.15 0.00 -0.87 0.00 0.00 58.31 58.93 2pfk n LYS 91 Cb 0.40 -2.36 0.44 0.00 0.02 0.00 0.00 35.03 33.52 2pfk n LYS 91 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2pfk h ARG 92 N 0.00 0.00 -1.16 1.64 2.47 -1.16 -3.48 114.38 112.69 2pfk h ARG 92 Ca 0.63 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 59.31 2pfk h ARG 92 Cb 1.34 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.67 2pfk h ARG 92 CO -0.91 0.00 -0.06 0.41 0.56 0.00 0.00 179.97 179.97 2pfk n GLY 93 N 0.56 0.67 3.66 0.04 0.00 0.27 -5.02 105.19 105.37 2pfk n GLY 93 Ca 0.02 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 2pfk n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pfk s ILE 94 N -2.79 5.07 -0.05 -0.61 1.01 -0.44 -4.49 121.20 118.90 2pfk s ILE 94 Ca 0.04 1.02 -0.19 0.00 0.00 0.00 0.00 60.65 61.53 2pfk s ILE 94 Cb -0.02 -3.87 -0.31 0.00 0.01 0.00 0.00 42.46 38.27 2pfk s ILE 94 CO 0.05 0.15 0.81 0.44 0.00 0.00 0.00 174.94 176.39 2pfk h ASP 95 N 7.51 0.51 -5.71 3.58 3.32 0.17 -3.43 116.42 122.37 2pfk h ASP 95 Ca -0.32 -0.92 -0.36 0.00 0.02 0.00 0.00 57.03 55.45 2pfk h ASP 95 Cb 1.15 -0.17 -0.12 0.00 0.22 0.00 0.00 39.33 40.41 2pfk h ASP 95 CO 0.75 1.52 -0.42 0.00 -1.72 0.00 0.00 179.24 179.37 2pfk s ALA 96 N -2.47 1.35 -0.03 3.45 0.00 -1.23 -4.18 121.76 118.65 2pfk s ALA 96 Ca -0.15 -1.81 -0.03 0.00 0.00 0.00 0.00 51.96 49.98 2pfk s ALA 96 Cb 0.02 1.36 0.01 0.00 0.00 0.00 0.00 23.12 24.52 2pfk s ALA 96 CO 0.83 -0.69 0.09 -1.17 0.00 0.00 0.00 175.76 174.81 2pfk s LEU 97 N -3.28 1.56 -0.12 0.00 2.96 0.13 -0.93 118.68 119.00 2pfk s LEU 97 Ca 0.37 0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 54.39 2pfk s LEU 97 Cb 0.02 0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.95 2pfk s LEU 97 CO 0.22 -0.05 0.12 -0.69 -1.32 0.00 0.00 176.35 174.63 2pfk s VAL 98 N 0.20 5.33 -0.13 1.68 1.01 0.64 -1.66 120.40 127.48 2pfk s VAL 98 Ca -0.01 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.12 2pfk s VAL 98 Cb -0.02 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 33.06 2pfk s VAL 98 CO -0.01 0.61 -0.15 -0.69 0.00 0.00 0.00 175.10 174.86 2pfk s VAL 99 N -0.91 1.55 -0.20 2.92 1.01 0.69 -2.31 120.40 123.15 2pfk s VAL 99 Ca 0.14 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 2pfk s VAL 99 Cb -0.12 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 2pfk s VAL 99 CO 0.03 0.45 -0.05 -0.63 0.00 0.00 0.00 175.10 174.91 2pfk s ILE 100 N 1.29 3.43 -2.45 2.22 1.01 0.85 -0.67 121.20 126.88 2pfk s ILE 100 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2pfk s ILE 100 Cb -0.14 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.80 2pfk s ILE 100 CO -0.07 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.92 2pfk n GLY 101 N 4.44 -0.81 0.00 6.18 0.00 -0.70 -0.95 105.19 113.35 2pfk n GLY 101 Ca -0.18 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2pfk n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pfk n GLY 102 N 0.00 -0.23 0.20 -0.02 0.00 -1.23 -0.93 105.19 102.98 2pfk n GLY 102 Ca 0.00 -1.80 -0.02 0.00 0.00 0.00 0.00 46.02 44.20 2pfk n GLY 102 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pfk h ASP 103 N 0.00 -0.09 -0.71 1.61 3.32 -1.94 -2.25 116.42 116.36 2pfk h ASP 103 Ca 0.00 0.10 0.15 0.00 0.02 0.00 0.00 57.03 57.30 2pfk h ASP 103 Cb 0.00 0.16 -0.11 0.00 0.22 0.00 0.00 39.33 39.60 2pfk h ASP 103 CO 0.00 -0.02 0.15 1.23 -1.72 0.00 0.00 179.24 178.88 2pfk h GLY 104 N 0.18 0.95 2.00 2.75 0.00 -1.97 -1.68 103.07 105.30 2pfk h GLY 104 Ca 0.25 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.51 2pfk h GLY 104 CO -0.36 -0.19 -0.23 1.48 0.00 0.00 0.00 176.54 177.23 2pfk h SER 105 N 0.25 0.00 -0.68 0.19 4.64 -1.71 -3.06 113.55 113.19 2pfk h SER 105 Ca 0.40 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.66 2pfk h SER 105 Cb 0.66 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.72 2pfk h SER 105 CO -0.50 0.24 0.21 1.88 -0.87 0.00 0.00 176.83 177.79 2pfk h TYR 106 N 0.00 1.11 -0.14 4.77 -1.99 -1.27 -2.95 116.97 116.51 2pfk h TYR 106 Ca -0.00 -0.11 0.04 0.00 2.00 0.00 0.00 58.73 60.66 2pfk h TYR 106 Cb 0.42 -0.32 -0.07 0.00 2.00 0.00 0.00 36.73 38.76 2pfk h TYR 106 CO 0.00 0.88 -0.46 0.52 -0.00 0.00 0.00 178.16 179.10 2pfk h MET 107 N 1.03 -0.50 0.00 4.88 2.86 -1.51 -0.25 114.93 121.44 2pfk h MET 107 Ca 0.23 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 2pfk h MET 107 Cb 0.29 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 2pfk h MET 107 CO -0.01 -0.33 -0.03 0.78 1.06 0.00 0.00 176.91 178.38 2pfk h GLY 108 N -0.52 0.00 1.09 8.32 0.00 -1.67 -1.87 103.07 108.42 2pfk h GLY 108 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.16 2pfk h GLY 108 CO -0.42 0.00 -0.90 0.00 0.00 0.00 0.00 176.54 175.22 2pfk h ALA 109 N 1.97 0.13 0.45 3.60 0.00 -1.00 -2.63 119.26 121.78 2pfk h ALA 109 Ca -0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 2pfk h ALA 109 Cb 0.32 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2pfk h ALA 109 CO 0.00 0.59 -0.28 1.98 0.00 0.00 0.00 179.25 181.54 2pfk h MET 110 N 0.27 -0.67 -0.77 0.00 4.05 -0.51 -1.94 114.93 115.35 2pfk h MET 110 Ca -0.11 0.05 0.14 0.00 -0.28 0.00 0.00 59.70 59.50 2pfk h MET 110 Cb 1.57 0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 32.47 2pfk h MET 110 CO 0.18 -0.45 0.51 0.00 0.23 0.00 0.00 176.91 177.38 2pfk h ARG 111 N -0.70 0.49 0.00 0.39 -0.00 -1.40 0.32 114.38 113.49 2pfk h ARG 111 Ca -0.05 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.98 59.33 2pfk h ARG 111 Cb 0.57 -0.11 -0.01 0.00 0.00 0.00 0.00 29.97 30.42 2pfk h ARG 111 CO 0.05 0.32 -0.33 -0.07 0.00 0.00 0.00 179.97 179.94 2pfk h LEU 112 N 0.51 0.00 0.30 3.04 3.38 -1.25 -2.68 115.31 118.61 2pfk h LEU 112 Ca 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 2pfk h LEU 112 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2pfk h LEU 112 CO -0.14 0.33 -0.14 0.74 0.09 0.00 0.00 178.44 179.32 2pfk h THR 113 N 0.00 0.72 0.00 0.22 2.02 0.37 0.94 112.91 117.18 2pfk h THR 113 Ca -0.00 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2pfk h THR 113 Cb 1.22 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 2pfk h THR 113 CO 0.04 0.11 0.00 -0.62 0.37 0.00 0.00 175.52 175.42 2pfk n GLU 114 N -5.14 0.00 0.00 6.66 1.02 -0.28 -0.69 120.64 122.20 2pfk n GLU 114 Ca -0.10 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 2pfk n GLU 114 Cb 0.25 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 2pfk n GLU 114 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2pfk n MET 115 N -1.98 0.00 -2.94 3.49 2.81 -1.01 -4.54 117.12 112.94 2pfk n MET 115 Ca 0.00 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.77 2pfk n MET 115 Cb 0.00 -0.91 0.06 0.00 -0.71 0.00 0.00 33.22 31.66 2pfk n MET 115 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pfk n GLY 116 N -0.06 -0.25 2.87 3.03 0.00 0.13 -5.05 105.19 105.87 2pfk n GLY 116 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 2pfk n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pfk s PHE 117 N -3.26 2.57 0.11 1.61 0.40 0.32 -5.00 117.98 114.74 2pfk s PHE 117 Ca 0.09 -2.21 -0.31 0.00 -0.60 0.00 0.00 56.93 53.90 2pfk s PHE 117 Cb -0.01 -2.15 -0.09 0.00 0.51 0.00 0.00 43.02 41.28 2pfk s PHE 117 CO 0.52 -0.89 1.54 -1.25 0.70 0.00 0.00 175.22 175.84 2pfk s PRO 118 N 1.32 4.24 -0.03 0.24 0.04 -1.26 -2.50 135.00 137.04 2pfk s PRO 118 Ca 0.08 2.26 0.02 0.00 0.04 0.00 0.00 61.00 63.40 2pfk s PRO 118 Cb -0.18 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.03 2pfk s PRO 118 CO -0.16 -0.60 -0.09 0.00 0.04 0.00 0.00 177.00 176.19 2pfk s ILE 120 N 0.38 2.82 -0.12 0.00 -1.09 -0.66 -1.48 121.20 121.05 2pfk s ILE 120 Ca -0.06 -0.78 -0.01 0.00 -2.23 0.00 0.00 60.65 57.57 2pfk s ILE 120 Cb -0.11 -2.12 -0.02 0.00 -1.58 0.00 0.00 42.46 38.63 2pfk s ILE 120 CO 0.01 0.56 -0.07 -0.83 -1.23 0.00 0.00 174.94 173.37 2pfk s GLY 121 N -0.16 1.66 -0.10 6.18 0.00 -0.39 -0.22 107.32 114.29 2pfk s GLY 121 Ca -0.01 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 43.87 2pfk s GLY 121 CO 0.03 -0.28 -0.18 1.08 0.00 0.00 0.00 173.10 173.76 2pfk s LEU 122 N 0.02 2.45 -0.49 0.66 1.43 0.16 0.81 118.68 123.71 2pfk s LEU 122 Ca -0.01 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.40 2pfk s LEU 122 Cb -0.14 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.59 2pfk s LEU 122 CO 0.03 0.20 1.29 -2.16 0.23 0.00 0.00 176.35 175.94 2pfk s PRO 123 N 0.14 3.56 -0.30 1.29 0.04 -1.26 -1.72 135.00 136.75 2pfk s PRO 123 Ca -0.09 0.60 0.02 0.00 0.04 0.00 0.00 61.00 61.56 2pfk s PRO 123 Cb -0.16 -4.01 0.09 0.00 0.04 0.00 0.00 34.50 30.46 2pfk s PRO 123 CO 0.06 -1.60 0.02 0.20 0.04 0.00 0.00 177.00 175.71 2pfk s GLY 124 N 3.39 1.52 -0.26 0.56 0.00 -0.11 -1.19 107.32 111.23 2pfk s GLY 124 Ca 0.52 -1.93 -0.26 0.00 0.00 0.00 0.00 44.72 43.05 2pfk s GLY 124 CO 0.30 1.08 1.02 -1.08 0.00 0.00 0.00 173.10 174.42 2pfk s THR 125 N 1.23 0.00 0.03 0.90 -1.32 0.52 -3.46 115.64 113.54 2pfk s THR 125 Ca 0.04 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.73 2pfk s THR 125 Cb -0.19 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 69.98 2pfk s THR 125 CO -0.12 0.00 1.70 0.16 -2.21 0.00 0.00 174.62 174.15 2pfk h ILE 126 N 3.43 0.66 -0.00 5.08 3.07 -1.81 -3.27 117.51 124.68 2pfk h ILE 126 Ca -0.27 -1.48 0.00 0.00 1.55 0.00 0.00 64.86 64.67 2pfk h ILE 126 Cb 1.17 1.98 0.00 0.00 -0.27 0.00 0.00 36.82 39.71 2pfk h ILE 126 CO 0.14 0.31 -0.06 -0.90 -1.05 0.00 0.00 178.15 176.59 2pfk n ASP 127 N -3.35 0.11 0.00 2.16 3.85 -1.26 -4.10 116.55 113.95 2pfk n ASP 127 Ca 0.01 0.11 0.00 0.00 -0.71 0.00 0.00 54.79 54.20 2pfk n ASP 127 Cb 0.53 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.99 2pfk n ASP 127 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 2pfk n ASN 128 N -1.37 -2.15 -3.34 -1.12 5.15 -1.24 -4.54 115.26 106.64 2pfk n ASN 128 Ca 0.10 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.69 2pfk n ASN 128 Cb 0.30 -1.31 -0.03 0.00 -0.53 0.00 0.00 39.78 38.22 2pfk n ASN 128 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2pfk n ASP 129 N -0.20 8.21 -3.73 1.20 2.03 -1.26 -4.74 116.55 118.06 2pfk n ASP 129 Ca 0.00 -2.59 -0.16 0.00 0.52 0.00 0.00 54.79 52.56 2pfk n ASP 129 Cb 0.10 -1.55 -0.16 0.00 -0.72 0.00 0.00 41.12 38.78 2pfk n ASP 129 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2pfk s ILE 130 N 2.31 -0.09 0.29 5.18 1.01 -1.26 -4.69 121.20 123.94 2pfk s ILE 130 Ca 0.67 0.28 -0.24 0.00 0.00 0.00 0.00 60.65 61.36 2pfk s ILE 130 Cb 0.17 -0.14 -0.09 0.00 0.01 0.00 0.00 42.46 42.41 2pfk s ILE 130 CO -0.06 0.12 0.86 -1.59 0.00 0.00 0.00 174.94 174.27 2pfk s LYS 131 N 1.47 4.46 0.00 2.79 0.00 -1.26 -3.89 119.74 123.30 2pfk s LYS 131 Ca -0.04 1.15 0.00 0.00 0.00 0.00 0.00 55.97 57.08 2pfk s LYS 131 Cb -0.12 -2.82 0.00 0.00 0.00 0.00 0.00 37.83 34.88 2pfk s LYS 131 CO -0.04 0.32 0.00 0.41 0.00 0.00 0.00 175.35 176.04 2pfk n GLY 132 N 0.61 0.80 3.03 0.59 0.00 -1.26 -4.80 105.19 104.16 2pfk n GLY 132 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 2pfk n GLY 132 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2pfk s THR 133 N -2.16 -0.01 0.05 2.61 -1.32 -1.25 -4.19 115.64 109.36 2pfk s THR 133 Ca 0.00 0.05 -0.25 0.00 -1.21 0.00 0.00 61.69 60.28 2pfk s THR 133 Cb 0.00 -0.27 -0.17 0.00 -1.51 0.00 0.00 72.50 70.55 2pfk s THR 133 CO 0.00 0.02 1.52 0.44 -2.21 0.00 0.00 174.62 174.39 2pfk h ASP 134 N 6.31 -0.15 -4.39 8.08 3.32 -0.23 -3.46 116.42 125.91 2pfk h ASP 134 Ca -0.31 -0.15 -0.44 0.00 0.02 0.00 0.00 57.03 56.15 2pfk h ASP 134 Cb 1.18 0.04 -0.23 0.00 0.22 0.00 0.00 39.33 40.54 2pfk h ASP 134 CO 0.40 0.07 -0.79 -0.31 -1.72 0.00 0.00 179.24 176.88 2pfk s TYR 135 N -5.42 1.30 0.21 4.55 2.02 -1.26 -5.08 117.35 113.68 2pfk s TYR 135 Ca -0.14 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.14 2pfk s TYR 135 Cb 0.04 -0.74 -0.04 0.00 -0.40 0.00 0.00 41.96 40.82 2pfk s TYR 135 CO 0.64 0.07 0.39 0.95 -1.57 0.00 0.00 175.55 176.03 2pfk s THR 136 N -1.11 5.21 -0.05 -0.71 -4.23 -1.26 -4.72 115.64 108.78 2pfk s THR 136 Ca 0.00 -0.48 -0.30 0.00 -1.18 0.00 0.00 61.69 59.73 2pfk s THR 136 Cb -0.09 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 2pfk s THR 136 CO 0.02 -0.22 1.25 -0.63 -0.54 0.00 0.00 174.62 174.50 2pfk s ILE 137 N -1.91 4.13 0.00 2.99 1.01 -0.33 -3.03 121.20 124.05 2pfk s ILE 137 Ca 0.38 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.49 2pfk s ILE 137 Cb -0.11 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.42 2pfk s ILE 137 CO 0.30 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.84 2pfk n GLY 138 N 3.45 2.02 0.25 6.18 0.00 -1.20 -0.36 105.19 115.53 2pfk n GLY 138 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 2pfk n GLY 138 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2pfk h PHE 139 N 0.00 -0.55 -0.04 1.61 3.04 -1.59 -2.02 116.94 117.39 2pfk h PHE 139 Ca 0.00 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.90 2pfk h PHE 139 Cb 0.00 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 2pfk h PHE 139 CO 0.00 -0.32 -0.19 0.74 -2.02 0.00 0.00 178.31 176.53 2pfk h PHE 140 N -0.48 0.07 0.26 0.41 0.04 -1.88 0.09 116.94 115.46 2pfk h PHE 140 Ca -0.01 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 2pfk h PHE 140 Cb 0.43 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.56 2pfk h PHE 140 CO -0.13 0.25 -0.13 1.15 -0.60 0.00 0.00 178.31 178.86 2pfk h THR 141 N 0.06 0.73 -1.00 -1.55 2.02 -1.87 -2.31 112.91 108.99 2pfk h THR 141 Ca 0.01 -0.75 0.12 0.00 0.77 0.00 0.00 66.41 66.56 2pfk h THR 141 Cb 0.37 1.10 -0.08 0.00 -1.74 0.00 0.00 68.15 67.80 2pfk h THR 141 CO 0.03 0.14 0.63 0.00 0.37 0.00 0.00 175.52 176.69 2pfk h ALA 142 N -0.25 1.50 -0.84 6.16 0.00 -1.19 -0.33 119.26 124.31 2pfk h ALA 142 Ca -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2pfk h ALA 142 Cb 0.51 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2pfk h ALA 142 CO 0.06 0.22 0.47 1.25 0.00 0.00 0.00 179.25 181.25 2pfk h LEU 143 N 0.99 1.04 -0.26 0.00 5.85 -0.96 0.16 115.31 122.13 2pfk h LEU 143 Ca 0.49 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 59.01 2pfk h LEU 143 Cb 0.49 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 2pfk h LEU 143 CO -0.27 0.83 -0.31 0.28 -0.34 0.00 0.00 178.44 178.63 2pfk h SER 144 N 1.18 0.73 -0.01 1.25 0.02 -0.52 -0.83 113.55 115.36 2pfk h SER 144 Ca 0.30 -0.49 0.01 0.00 -0.84 0.00 0.00 61.79 60.77 2pfk h SER 144 Cb 0.01 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2pfk h SER 144 CO -0.05 1.07 -0.04 0.74 -1.14 0.00 0.00 176.83 177.41 2pfk h THR 145 N 0.40 0.89 -0.57 -2.27 2.02 -0.68 -0.20 112.91 112.49 2pfk h THR 145 Ca 0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 2pfk h THR 145 Cb 0.89 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 2pfk h THR 145 CO 0.07 0.00 0.32 0.58 0.37 0.00 0.00 175.52 176.87 2pfk h VAL 146 N -0.06 1.18 -0.04 3.16 2.07 -0.70 -2.35 116.25 119.52 2pfk h VAL 146 Ca 0.02 -0.45 -0.13 0.00 0.82 0.00 0.00 66.70 66.96 2pfk h VAL 146 Cb 0.09 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2pfk h VAL 146 CO -0.05 0.20 -0.59 0.58 0.02 0.00 0.00 177.57 177.72 2pfk h VAL 147 N 0.77 1.40 -0.30 2.57 2.07 -0.86 -1.89 116.25 120.01 2pfk h VAL 147 Ca 0.20 -2.00 -0.18 0.00 0.82 0.00 0.00 66.70 65.55 2pfk h VAL 147 Cb 0.03 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2pfk h VAL 147 CO -0.03 0.58 -0.52 -0.08 0.02 0.00 0.00 177.57 177.54 2pfk h GLU 148 N 0.09 0.88 -0.76 1.57 4.81 -0.88 -2.18 114.58 118.10 2pfk h GLU 148 Ca -0.01 -0.54 0.06 0.00 -0.13 0.00 0.00 59.36 58.75 2pfk h GLU 148 Cb 1.07 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.45 2pfk h GLU 148 CO 0.08 1.17 0.45 0.00 -0.73 0.00 0.00 179.01 179.99 2pfk h ALA 149 N 0.72 1.03 -0.69 2.92 0.00 -1.26 -2.18 119.26 119.81 2pfk h ALA 149 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2pfk h ALA 149 Cb 1.12 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2pfk h ALA 149 CO 0.12 0.17 0.38 0.82 0.00 0.00 0.00 179.25 180.74 2pfk h ILE 150 N 0.84 1.21 -0.49 0.00 2.04 -1.19 0.13 117.51 120.04 2pfk h ILE 150 Ca 0.33 -0.53 0.04 0.00 1.00 0.00 0.00 64.86 65.70 2pfk h ILE 150 Cb 0.17 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 2pfk h ILE 150 CO -0.17 0.23 0.26 0.44 0.00 0.00 0.00 178.15 178.91 2pfk h ASP 151 N 0.94 0.39 -0.34 1.72 3.32 -0.98 0.43 116.42 121.90 2pfk h ASP 151 Ca 0.24 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.21 2pfk h ASP 151 Cb 0.04 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2pfk h ASP 151 CO -0.04 0.27 -0.21 0.03 -1.72 0.00 0.00 179.24 177.58 2pfk h ARG 152 N 0.52 0.74 -0.07 3.56 3.08 -0.83 -2.73 114.38 118.65 2pfk h ARG 152 Ca 0.21 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 2pfk h ARG 152 Cb 0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2pfk h ARG 152 CO -0.13 0.95 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.46 2pfk h LEU 153 N 0.52 0.11 -0.56 3.04 3.38 -0.08 -2.57 115.31 119.14 2pfk h LEU 153 Ca 0.07 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 2pfk h LEU 153 Cb 0.76 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2pfk h LEU 153 CO 0.06 0.31 -0.06 -0.09 0.09 0.00 0.00 178.44 178.75 2pfk h ARG 154 N 0.11 1.04 -0.51 1.13 9.65 0.08 -1.43 114.38 124.45 2pfk h ARG 154 Ca 0.02 -0.36 0.06 0.00 -1.10 0.00 0.00 59.98 58.60 2pfk h ARG 154 Cb 0.41 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.86 2pfk h ARG 154 CO 0.03 1.05 0.22 -0.44 2.80 0.00 0.00 179.97 183.63 2pfk h ASP 155 N 0.92 0.28 1.11 -3.80 3.32 -1.16 -1.65 116.42 115.44 2pfk h ASP 155 Ca 0.15 0.05 -0.18 0.00 0.02 0.00 0.00 57.03 57.06 2pfk h ASP 155 Cb 0.63 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 2pfk h ASP 155 CO 0.04 0.19 -0.89 0.00 -1.72 0.00 0.00 179.24 176.86 2pfk h THR 156 N 0.43 1.44 -0.19 0.35 1.03 -1.48 -2.39 112.91 112.10 2pfk h THR 156 Ca 0.24 -3.06 -0.06 0.00 -0.01 0.00 0.00 66.41 63.52 2pfk h THR 156 Cb 0.21 2.71 -0.00 0.00 -1.07 0.00 0.00 68.15 69.99 2pfk h THR 156 CO -0.21 0.82 -0.10 0.28 -0.01 0.00 0.00 175.52 176.31 2pfk h SER 157 N 0.00 0.42 0.22 0.00 0.02 -1.12 -2.78 113.55 110.31 2pfk h SER 157 Ca -0.02 -0.42 -0.11 0.00 -0.84 0.00 0.00 61.79 60.41 2pfk h SER 157 Cb 1.67 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 64.08 2pfk h SER 157 CO 0.11 0.74 -0.42 -1.28 -1.14 0.00 0.00 176.83 174.84 2pfk h SER 158 N 0.10 0.27 -0.38 3.07 0.87 -1.38 0.36 113.55 116.46 2pfk h SER 158 Ca 0.04 -0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.40 2pfk h SER 158 Cb 0.59 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 2pfk h SER 158 CO 0.03 0.67 -0.10 0.28 -0.53 0.00 0.00 176.83 177.18 2pfk h SER 159 N 0.22 0.75 -0.49 6.23 0.02 -1.29 -3.26 113.55 115.72 2pfk h SER 159 Ca 0.02 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2pfk h SER 159 Cb 0.84 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2pfk h SER 159 CO 0.07 0.94 0.00 1.41 -1.14 0.00 0.00 176.83 178.11 2pfk n HIS 160 N -4.35 0.65 -3.81 3.45 8.25 -1.06 -5.01 115.22 113.34 2pfk n HIS 160 Ca -0.02 -0.39 -0.25 0.00 -0.26 0.00 0.00 57.72 56.81 2pfk n HIS 160 Cb 0.36 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.48 2pfk n HIS 160 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2pfk n GLN 161 N 1.29 -4.76 -4.19 -0.41 6.02 0.12 -5.00 117.38 110.44 2pfk n GLN 161 Ca 0.19 0.57 -0.23 0.00 -0.01 0.00 0.00 57.00 57.52 2pfk n GLN 161 Cb 0.55 -5.15 -0.07 0.00 1.02 0.00 0.00 30.24 26.59 2pfk n GLN 161 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2pfk s ARG 162 N -6.26 2.29 -0.15 -1.09 0.52 -0.40 -4.64 118.95 109.22 2pfk s ARG 162 Ca 0.19 -1.57 -0.06 0.00 -0.52 0.00 0.00 55.73 53.77 2pfk s ARG 162 Cb -0.10 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 33.22 2pfk s ARG 162 CO 0.83 0.17 0.07 0.42 0.02 0.00 0.00 175.30 176.81 2pfk s ILE 163 N -2.43 4.89 -0.07 1.52 1.01 -0.72 -3.07 121.20 122.33 2pfk s ILE 163 Ca 0.36 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 61.04 2pfk s ILE 163 Cb -0.03 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 2pfk s ILE 163 CO 0.21 0.53 -0.21 -0.55 0.00 0.00 0.00 174.94 174.92 2pfk s SER 164 N -0.25 3.41 -0.26 3.58 0.15 0.86 -2.32 113.70 118.88 2pfk s SER 164 Ca 0.08 -0.42 -0.02 0.00 0.70 0.00 0.00 55.95 56.29 2pfk s SER 164 Cb -0.12 -1.00 0.03 0.00 -1.71 0.00 0.00 66.02 63.22 2pfk s SER 164 CO 0.01 0.25 -0.05 -0.69 1.20 0.00 0.00 173.24 173.96 2pfk s VAL 165 N -0.16 2.91 -0.19 4.45 1.01 -0.44 0.11 120.40 128.09 2pfk s VAL 165 Ca -0.03 -1.08 -0.06 0.00 0.00 0.00 0.00 61.98 60.81 2pfk s VAL 165 Cb -0.14 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2pfk s VAL 165 CO 0.04 0.14 0.01 -0.69 0.00 0.00 0.00 175.10 174.60 2pfk s VAL 166 N 1.31 4.18 -0.36 2.92 1.01 -0.21 0.64 120.40 129.89 2pfk s VAL 166 Ca -0.01 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 2pfk s VAL 166 Cb -0.17 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 2pfk s VAL 166 CO -0.04 0.44 0.25 -0.70 0.00 0.00 0.00 175.10 175.06 2pfk s GLU 167 N 0.78 3.37 0.03 2.72 2.12 -0.13 -1.27 118.70 126.32 2pfk s GLU 167 Ca 0.01 -0.73 -0.01 0.00 0.36 0.00 0.00 54.97 54.60 2pfk s GLU 167 Cb -0.14 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.36 2pfk s GLU 167 CO 0.02 -0.51 0.18 0.08 -0.54 0.00 0.00 175.26 174.49 2pfk s VAL 168 N 1.71 5.29 0.72 3.70 1.01 -0.59 -3.08 120.40 129.16 2pfk s VAL 168 Ca 0.06 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 2pfk s VAL 168 Cb -0.18 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.71 2pfk s VAL 168 CO 0.10 0.23 1.10 -0.04 0.00 0.00 0.00 175.10 176.49 2pfk s MET 169 N -2.22 2.59 0.00 2.72 -1.94 -1.26 -0.62 119.30 118.58 2pfk s MET 169 Ca 0.31 0.30 0.00 0.00 -1.71 0.00 0.00 55.69 54.58 2pfk s MET 169 Cb -0.13 -2.03 0.00 0.00 2.01 0.00 0.00 34.83 34.68 2pfk s MET 169 CO 0.23 -1.17 0.00 0.41 -0.01 0.00 0.00 175.02 174.48 2pfk n GLY 170 N -3.05 0.59 0.30 -0.03 0.00 -1.26 -4.48 105.19 97.25 2pfk n GLY 170 Ca 0.07 -0.78 0.01 0.00 0.00 0.00 0.00 46.02 45.33 2pfk n GLY 170 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2pfk n ARG 171 N 0.00 -0.15 0.00 1.61 0.63 -1.26 -1.61 116.66 115.89 2pfk n ARG 171 Ca 0.00 1.22 0.09 0.00 -0.92 0.00 0.00 57.85 58.24 2pfk n ARG 171 Cb 0.00 -1.81 0.02 0.00 0.45 0.00 0.00 32.46 31.12 2pfk n ARG 171 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2pfk n TYR 172 N -5.20 0.00 -4.37 -0.14 4.02 -1.26 -4.89 117.16 105.31 2pfk n TYR 172 Ca 0.10 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.76 2pfk n TYR 172 Cb 0.34 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.50 2pfk n TYR 172 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2pfk n GLY 174 N 3.98 -1.05 0.41 0.00 0.00 -1.26 -4.33 105.19 102.94 2pfk n GLY 174 Ca -0.23 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 2pfk n GLY 174 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pfk h ASP 175 N 0.04 -1.29 -0.16 1.61 5.19 -1.92 0.22 116.42 120.11 2pfk h ASP 175 Ca 0.00 0.13 0.05 0.00 -0.62 0.00 0.00 57.03 56.58 2pfk h ASP 175 Cb 0.07 0.46 -0.07 0.00 0.18 0.00 0.00 39.33 39.97 2pfk h ASP 175 CO 0.00 -0.50 -0.36 0.25 -3.12 0.00 0.00 179.24 175.51 2pfk h LEU 176 N -0.70 -1.13 -0.42 1.55 5.85 -1.80 -0.55 115.31 118.10 2pfk h LEU 176 Ca -0.02 0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.93 2pfk h LEU 176 Cb 0.67 0.48 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 2pfk h LEU 176 CO -0.18 -0.38 0.09 0.74 -0.34 0.00 0.00 178.44 178.37 2pfk h THR 177 N -0.42 0.78 -0.33 1.05 2.02 -1.74 -0.36 112.91 113.92 2pfk h THR 177 Ca 0.10 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 2pfk h THR 177 Cb 0.58 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2pfk h THR 177 CO -0.39 0.04 0.01 0.25 0.37 0.00 0.00 175.52 175.80 2pfk h LEU 178 N 0.23 0.56 -0.28 2.58 5.85 -0.24 0.38 115.31 124.38 2pfk h LEU 178 Ca 0.21 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2pfk h LEU 178 Cb 0.25 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2pfk h LEU 178 CO -0.26 0.72 0.19 0.00 -0.34 0.00 0.00 178.44 178.74 2pfk h ALA 179 N 0.86 0.36 -0.34 1.25 0.00 -1.03 -0.51 119.26 119.84 2pfk h ALA 179 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2pfk h ALA 179 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2pfk h ALA 179 CO 0.01 -0.16 0.18 0.00 0.00 0.00 0.00 179.25 179.29 2pfk h ALA 180 N 1.10 0.44 -0.57 0.00 0.00 -0.91 -0.60 119.26 118.72 2pfk h ALA 180 Ca 0.10 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.00 2pfk h ALA 180 Cb -0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2pfk h ALA 180 CO -0.02 -0.03 0.26 0.00 0.00 0.00 0.00 179.25 179.46 2pfk h ALA 181 N 1.05 0.74 0.02 0.00 0.00 0.10 0.15 119.26 121.32 2pfk h ALA 181 Ca 0.12 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2pfk h ALA 181 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2pfk h ALA 181 CO -0.02 -0.11 -0.01 0.82 0.00 0.00 0.00 179.25 179.93 2pfk h ILE 182 N 0.49 1.29 -0.61 0.00 2.04 -0.70 -1.15 117.51 118.87 2pfk h ILE 182 Ca 0.27 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 65.19 2pfk h ILE 182 Cb 0.23 1.95 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 2pfk h ILE 182 CO -0.22 0.25 0.36 0.00 0.00 0.00 0.00 178.15 178.54 2pfk h ALA 183 N 0.51 0.80 0.00 1.87 0.00 -1.02 -2.51 119.26 118.91 2pfk h ALA 183 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pfk h ALA 183 Cb 0.43 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2pfk h ALA 183 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.73 2pfk n GLY 184 N -1.27 -1.41 2.21 0.00 0.00 0.52 -4.92 105.19 100.32 2pfk n GLY 184 Ca 0.06 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2pfk n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pfk n GLY 185 N 1.02 0.72 3.75 -0.02 0.00 -0.75 -4.92 105.19 104.98 2pfk n GLY 185 Ca 0.06 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 2pfk n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pfk h GLU 187 N 4.75 0.81 -6.61 0.00 9.09 -1.86 -3.45 114.58 117.31 2pfk h GLU 187 Ca -0.46 -0.60 -0.66 0.00 0.05 0.00 0.00 59.36 57.68 2pfk h GLU 187 Cb 1.22 0.11 -0.25 0.00 -1.65 0.00 0.00 28.75 28.18 2pfk h GLU 187 CO 0.75 1.22 -0.87 -0.06 0.05 0.00 0.00 179.01 180.10 2pfk s PHE 188 N -3.89 2.18 -0.08 2.06 0.08 -1.23 -5.09 117.98 112.01 2pfk s PHE 188 Ca -0.10 -0.40 -0.09 0.00 0.12 0.00 0.00 56.93 56.46 2pfk s PHE 188 Cb 0.09 -1.27 0.02 0.00 -0.57 0.00 0.00 43.02 41.30 2pfk s PHE 188 CO 0.90 0.17 0.24 0.54 -0.10 0.00 0.00 175.22 176.97 2pfk s VAL 189 N -0.89 0.01 -0.23 -0.44 0.11 -1.26 -2.24 120.40 115.46 2pfk s VAL 189 Ca 0.11 -0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 59.05 2pfk s VAL 189 Cb -0.10 -0.37 0.07 0.00 -1.53 0.00 0.00 36.38 34.45 2pfk s VAL 189 CO 0.03 -0.05 0.06 -0.69 -3.33 0.00 0.00 175.10 171.12 2pfk s VAL 190 N -0.09 0.58 0.20 2.04 1.01 -0.47 -4.94 120.40 118.72 2pfk s VAL 190 Ca -0.02 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.24 2pfk s VAL 190 Cb -0.02 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2pfk s VAL 190 CO 0.01 -0.38 -0.12 0.68 0.00 0.00 0.00 175.10 175.29 2pfk s VAL 191 N 1.81 3.00 0.26 2.92 -7.23 -1.26 -0.92 120.40 118.98 2pfk s VAL 191 Ca 0.03 -1.81 0.24 0.00 -1.81 0.00 0.00 61.98 58.63 2pfk s VAL 191 Cb -0.17 -2.50 0.24 0.00 0.56 0.00 0.00 36.38 34.51 2pfk s VAL 191 CO -0.15 -0.16 1.91 -0.65 -0.31 0.00 0.00 175.10 175.75 2pfk h PRO 192 N 2.83 0.00 -0.06 4.82 0.11 -1.93 -3.02 132.00 134.75 2pfk h PRO 192 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2pfk h PRO 192 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2pfk h PRO 192 CO 0.54 0.21 0.00 0.39 -0.21 0.00 0.00 178.00 178.93 2pfk n GLU 193 N -3.54 1.16 -3.94 1.05 4.71 -1.26 -4.80 120.64 114.02 2pfk n GLU 193 Ca -0.01 -0.24 -0.12 0.00 -0.01 0.00 0.00 57.16 56.78 2pfk n GLU 193 Cb 0.36 -1.13 -0.13 0.00 -1.01 0.00 0.00 31.44 29.53 2pfk n GLU 193 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2pfk s VAL 194 N -1.92 0.10 -0.18 2.62 1.01 -1.14 -5.09 120.40 115.79 2pfk s VAL 194 Ca 0.11 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 2pfk s VAL 194 Cb 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.26 2pfk s VAL 194 CO 0.09 -0.12 1.86 -1.83 0.00 0.00 0.00 175.10 175.09 2pfk s GLU 195 N -0.42 3.65 -0.17 2.72 1.03 -1.26 -4.79 118.70 119.45 2pfk s GLU 195 Ca -0.04 1.92 -0.05 0.00 0.03 0.00 0.00 54.97 56.84 2pfk s GLU 195 Cb -0.03 -4.16 -0.03 0.00 -0.80 0.00 0.00 34.13 29.11 2pfk s GLU 195 CO -0.00 -1.49 -0.01 0.12 -1.33 0.00 0.00 175.26 172.55 2pfk s PHE 196 N 6.01 3.07 -0.15 4.83 2.19 -1.26 -5.10 117.98 127.58 2pfk s PHE 196 Ca 0.83 -0.25 -0.00 0.00 0.33 0.00 0.00 56.93 57.83 2pfk s PHE 196 Cb -0.30 -2.00 0.04 0.00 -1.31 0.00 0.00 43.02 39.44 2pfk s PHE 196 CO 0.34 -0.04 -0.06 0.45 1.83 0.00 0.00 175.22 177.74 2pfk s SER 197 N 0.48 2.65 0.21 6.13 0.15 -1.26 -5.03 113.70 117.03 2pfk s SER 197 Ca -0.02 -0.56 -0.14 0.00 0.70 0.00 0.00 55.95 55.93 2pfk s SER 197 Cb -0.14 -0.89 0.23 0.00 -1.71 0.00 0.00 66.02 63.51 2pfk s SER 197 CO 0.02 -0.17 1.63 0.03 1.20 0.00 0.00 173.24 175.95 2pfk h ARG 198 N 8.14 0.00 0.08 5.44 3.08 -1.99 -0.67 114.38 128.45 2pfk h ARG 198 Ca -0.26 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.82 2pfk h ARG 198 Cb 1.12 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.12 2pfk h ARG 198 CO 0.40 0.00 -0.31 0.93 -1.07 0.00 0.00 179.97 179.93 2pfk h GLU 199 N 0.00 -0.49 0.05 0.04 3.07 -1.99 -0.70 114.58 114.57 2pfk h GLU 199 Ca 0.30 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.22 2pfk h GLU 199 Cb 0.46 0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.43 2pfk h GLU 199 CO -0.64 -0.32 -0.41 -0.44 -1.40 0.00 0.00 179.01 175.79 2pfk h ASP 200 N -0.50 -1.24 -0.68 1.42 3.32 -1.60 -2.25 116.42 114.89 2pfk h ASP 200 Ca 0.04 0.15 0.14 0.00 0.02 0.00 0.00 57.03 57.38 2pfk h ASP 200 Cb 0.55 0.48 -0.12 0.00 0.22 0.00 0.00 39.33 40.46 2pfk h ASP 200 CO -0.21 -0.47 -0.10 0.25 -1.72 0.00 0.00 179.24 177.00 2pfk h LEU 201 N -0.60 -0.49 -1.10 1.55 5.85 -1.06 0.04 115.31 119.49 2pfk h LEU 201 Ca 0.04 0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.95 2pfk h LEU 201 Cb 0.66 0.37 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 2pfk h LEU 201 CO -0.29 -0.19 0.58 0.58 -0.34 0.00 0.00 178.44 178.78 2pfk h VAL 202 N 0.04 1.23 -0.35 1.05 2.07 -0.81 -0.37 116.25 119.12 2pfk h VAL 202 Ca 0.34 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 2pfk h VAL 202 Cb 0.55 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2pfk h VAL 202 CO -0.65 0.23 0.09 0.78 0.02 0.00 0.00 177.57 178.04 2pfk h ASN 203 N 1.21 0.52 -0.97 0.57 2.35 -0.45 -1.35 115.58 117.46 2pfk h ASN 203 Ca 0.32 -0.23 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 2pfk h ASN 203 Cb -0.12 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.06 2pfk h ASN 203 CO -0.07 0.61 0.64 -0.33 -1.65 0.00 0.00 177.43 176.63 2pfk h GLU 204 N 0.41 1.23 -0.13 0.81 4.39 -0.73 -1.39 114.58 119.18 2pfk h GLU 204 Ca 0.11 -0.07 -0.18 0.00 0.34 0.00 0.00 59.36 59.56 2pfk h GLU 204 Cb 0.29 -0.28 0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2pfk h GLU 204 CO 0.00 0.81 -0.61 0.82 -1.16 0.00 0.00 179.01 178.88 2pfk h ILE 205 N 1.27 1.33 -0.46 3.13 2.04 -0.84 -2.49 117.51 121.48 2pfk h ILE 205 Ca 0.37 -1.87 0.06 0.00 1.00 0.00 0.00 64.86 64.42 2pfk h ILE 205 Cb -0.08 2.09 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 2pfk h ILE 205 CO -0.10 0.58 0.16 0.11 0.00 0.00 0.00 178.15 178.89 2pfk h LYS 206 N 0.30 0.31 -0.18 2.37 1.57 -0.88 0.11 116.57 120.18 2pfk h LYS 206 Ca -0.04 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2pfk h LYS 206 Cb 1.24 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 2pfk h LYS 206 CO 0.13 0.21 0.04 0.00 -0.57 0.00 0.00 179.45 179.26 2pfk h ALA 207 N 1.31 0.19 -0.34 3.86 0.00 -1.28 -0.13 119.26 122.87 2pfk h ALA 207 Ca 0.22 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.17 2pfk h ALA 207 Cb 0.23 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2pfk h ALA 207 CO -0.23 -0.39 0.20 0.78 0.00 0.00 0.00 179.25 179.60 2pfk h GLY 208 N 0.12 0.46 0.45 0.00 0.00 -0.90 -2.38 103.07 100.83 2pfk h GLY 208 Ca 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2pfk h GLY 208 CO -0.10 0.13 -0.51 -2.22 0.00 0.00 0.00 176.54 173.84 2pfk h ILE 209 N 0.40 0.00 -1.15 2.60 2.04 -0.43 -1.50 117.51 119.48 2pfk h ILE 209 Ca 0.13 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.32 2pfk h ILE 209 Cb 0.00 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.02 2pfk h ILE 209 CO -0.06 0.00 0.81 0.00 0.00 0.00 0.00 178.15 178.90 2pfk h ALA 210 N -0.87 2.90 -0.00 1.87 0.00 -0.91 0.84 119.26 123.10 2pfk h ALA 210 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2pfk h ALA 210 Cb 0.86 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2pfk h ALA 210 CO -0.09 -1.26 -0.06 1.63 0.00 0.00 0.00 179.25 179.47 2pfk n LYS 211 N -4.30 0.33 0.00 0.00 5.02 -0.91 -4.92 118.16 113.38 2pfk n LYS 211 Ca 0.26 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 2pfk n LYS 211 Cb 1.16 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.67 2pfk n LYS 211 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pfk n GLY 212 N 1.36 1.94 3.72 0.72 0.00 0.29 -5.10 105.19 108.13 2pfk n GLY 212 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2pfk n GLY 212 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pfk s LYS 213 N -0.88 4.58 0.04 1.61 1.02 -0.60 -4.91 119.74 120.60 2pfk s LYS 213 Ca 0.00 1.49 0.20 0.00 0.02 0.00 0.00 55.97 57.68 2pfk s LYS 213 Cb 0.00 -3.41 -0.17 0.00 -0.52 0.00 0.00 37.83 33.72 2pfk s LYS 213 CO 0.00 -0.01 0.69 0.36 -0.92 0.00 0.00 175.35 175.47 2pfk n LYS 214 N 3.55 0.64 -4.14 1.68 2.85 -1.26 -4.35 118.16 117.13 2pfk n LYS 214 Ca 0.05 0.06 -0.11 0.00 -1.05 0.00 0.00 58.31 57.27 2pfk n LYS 214 Cb 0.50 -1.70 -0.09 0.00 -0.65 0.00 0.00 35.03 33.09 2pfk n LYS 214 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 2pfk s HIS 215 N -3.12 0.91 0.19 5.58 -3.43 -1.26 -4.05 115.29 110.10 2pfk s HIS 215 Ca -0.05 -1.20 -0.22 0.00 -0.80 0.00 0.00 55.06 52.80 2pfk s HIS 215 Cb 0.10 -0.39 0.05 0.00 -1.43 0.00 0.00 32.58 30.91 2pfk s HIS 215 CO 0.83 -0.67 0.61 0.00 -2.00 0.00 0.00 174.74 173.52 2pfk s ALA 216 N -4.09 -1.42 -0.07 -1.38 0.00 -1.17 -5.01 121.76 108.61 2pfk s ALA 216 Ca 0.31 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.50 2pfk s ALA 216 Cb 0.06 0.87 0.01 0.00 0.00 0.00 0.00 23.12 24.06 2pfk s ALA 216 CO 0.08 -0.83 -0.12 0.42 0.00 0.00 0.00 175.76 175.31 2pfk s ILE 217 N -3.80 1.13 -0.23 0.00 1.01 -1.26 -0.09 121.20 117.95 2pfk s ILE 217 Ca 0.04 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.18 2pfk s ILE 217 Cb -0.02 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.39 2pfk s ILE 217 CO -0.07 0.36 -0.01 -0.69 0.00 0.00 0.00 174.94 174.53 2pfk s VAL 218 N 0.79 3.69 -0.15 2.92 1.01 0.31 -3.15 120.40 125.82 2pfk s VAL 218 Ca -0.12 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 2pfk s VAL 218 Cb -0.15 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2pfk s VAL 218 CO 0.02 0.40 0.24 0.00 0.00 0.00 0.00 175.10 175.76 2pfk s ALA 219 N 1.50 3.67 -0.04 5.51 0.00 -0.95 -1.05 121.76 130.40 2pfk s ALA 219 Ca 0.06 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.46 2pfk s ALA 219 Cb -0.15 -2.27 0.01 0.00 0.00 0.00 0.00 23.12 20.71 2pfk s ALA 219 CO -0.01 0.22 0.10 -1.50 0.00 0.00 0.00 175.76 174.57 2pfk s ILE 220 N 0.09 0.00 0.34 0.00 2.07 -0.40 -1.37 121.20 121.92 2pfk s ILE 220 Ca 0.15 -0.02 -0.27 0.00 -1.41 0.00 0.00 60.65 59.10 2pfk s ILE 220 Cb -0.13 -0.15 -0.09 0.00 0.13 0.00 0.00 42.46 42.22 2pfk s ILE 220 CO 0.03 -0.01 1.06 -0.89 -1.91 0.00 0.00 174.94 173.22 2pfk s THR 221 N 0.01 3.67 0.81 4.00 2.01 -0.10 -1.55 115.64 124.49 2pfk s THR 221 Ca -0.00 1.46 -0.14 0.00 0.31 0.00 0.00 61.69 63.32 2pfk s THR 221 Cb -0.01 -3.85 0.05 0.00 0.01 0.00 0.00 72.50 68.70 2pfk s THR 221 CO 0.00 0.19 0.97 -1.84 -0.69 0.00 0.00 174.62 173.25 2pfk n GLU 222 N 0.57 0.17 -2.85 4.92 0.28 0.21 -3.68 120.64 120.25 2pfk n GLU 222 Ca 0.02 0.12 -0.16 0.00 -0.16 0.00 0.00 57.16 56.98 2pfk n GLU 222 Cb 0.47 -2.25 0.03 0.00 1.43 0.00 0.00 31.44 31.13 2pfk n GLU 222 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2pfk n HIS 223 N -3.12 -1.49 0.00 -1.84 8.25 -1.26 -4.64 115.22 111.12 2pfk n HIS 223 Ca 0.12 0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.99 2pfk n HIS 223 Cb 0.51 -3.57 0.00 0.00 1.12 0.00 0.00 29.99 28.04 2pfk n HIS 223 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2pfk n MET 224 N -3.18 1.49 -4.00 -0.41 2.81 -1.24 -5.09 117.12 107.50 2pfk n MET 224 Ca -0.07 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.72 2pfk n MET 224 Cb 0.58 -0.94 -0.06 0.00 -0.71 0.00 0.00 33.22 32.09 2pfk n MET 224 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2pfk s ASP 226 N -3.02 6.19 0.44 0.00 3.68 -1.26 -4.95 116.67 117.76 2pfk s ASP 226 Ca 0.23 -1.50 0.13 0.00 2.13 0.00 0.00 52.55 53.54 2pfk s ASP 226 Cb 0.02 -2.27 1.04 0.00 -1.45 0.00 0.00 42.92 40.26 2pfk s ASP 226 CO 0.06 -1.00 2.02 -0.37 0.13 0.00 0.00 175.17 176.01 2pfk h VAL 227 N 5.90 0.94 -0.22 1.11 -1.51 -1.98 0.13 116.25 120.62 2pfk h VAL 227 Ca -0.29 -0.13 -0.02 0.00 -1.23 0.00 0.00 66.70 65.03 2pfk h VAL 227 Cb 1.09 0.54 -0.01 0.00 -2.13 0.00 0.00 31.29 30.78 2pfk h VAL 227 CO 1.06 0.07 0.07 0.44 -1.23 0.00 0.00 177.57 177.98 2pfk h ASP 228 N 0.37 0.32 -0.63 4.19 3.45 -1.94 -0.66 116.42 121.53 2pfk h ASP 228 Ca 0.22 -0.20 -0.04 0.00 0.43 0.00 0.00 57.03 57.44 2pfk h ASP 228 Cb 0.39 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 39.04 2pfk h ASP 228 CO -0.05 0.43 0.24 -0.33 -1.57 0.00 0.00 179.24 177.96 2pfk h GLU 229 N 0.19 0.94 -0.35 3.56 4.39 -1.78 -1.96 114.58 119.58 2pfk h GLU 229 Ca 0.07 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 2pfk h GLU 229 Cb 0.22 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2pfk h GLU 229 CO -0.00 0.80 0.22 1.25 -1.16 0.00 0.00 179.01 180.12 2pfk h LEU 230 N 0.88 0.42 -0.27 1.33 5.85 -0.65 -1.15 115.31 121.72 2pfk h LEU 230 Ca 0.21 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.93 2pfk h LEU 230 Cb 0.22 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2pfk h LEU 230 CO -0.02 0.34 0.02 0.00 -0.34 0.00 0.00 178.44 178.44 2pfk h ALA 231 N 1.10 0.25 -0.42 1.25 0.00 -0.83 -1.06 119.26 119.55 2pfk h ALA 231 Ca 0.13 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2pfk h ALA 231 Cb -0.00 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2pfk h ALA 231 CO -0.02 -0.40 0.24 0.45 0.00 0.00 0.00 179.25 179.52 2pfk h HIS 232 N 0.10 0.45 0.01 0.00 3.86 -1.17 -1.43 115.15 116.97 2pfk h HIS 232 Ca 0.13 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.38 2pfk h HIS 232 Cb 0.16 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 2pfk h HIS 232 CO -0.19 0.26 -0.28 0.35 0.86 0.00 0.00 177.93 178.92 2pfk h PHE 233 N 0.48 -0.75 -0.63 2.45 3.57 -0.65 -0.47 116.94 120.95 2pfk h PHE 233 Ca 0.17 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.80 2pfk h PHE 233 Cb 0.02 0.33 -0.08 0.00 2.79 0.00 0.00 35.95 39.01 2pfk h PHE 233 CO -0.08 -0.37 0.22 0.82 -2.23 0.00 0.00 178.31 176.67 2pfk h ILE 234 N -0.43 0.73 -0.37 1.41 2.04 -1.04 -0.91 117.51 118.93 2pfk h ILE 234 Ca 0.06 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 2pfk h ILE 234 Cb 0.51 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2pfk h ILE 234 CO -0.23 0.07 0.07 -0.08 0.00 0.00 0.00 178.15 177.98 2pfk h GLU 235 N 0.39 0.61 -0.38 2.37 4.81 -0.94 -1.49 114.58 119.94 2pfk h GLU 235 Ca 0.33 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2pfk h GLU 235 Cb 0.44 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2pfk h GLU 235 CO -0.34 0.66 0.23 0.87 -0.73 0.00 0.00 179.01 179.71 2pfk h LYS 236 N 0.45 0.46 0.00 1.92 1.57 -0.18 0.16 116.57 120.95 2pfk h LYS 236 Ca 0.11 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2pfk h LYS 236 Cb 0.35 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2pfk h LYS 236 CO 0.01 0.31 -0.12 0.93 -0.57 0.00 0.00 179.45 180.01 2pfk h GLU 237 N 0.48 0.00 0.00 3.15 4.39 -1.09 -3.34 114.58 118.16 2pfk h GLU 237 Ca 0.15 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.70 2pfk h GLU 237 Cb -0.02 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 2pfk h GLU 237 CO -0.06 0.12 -1.75 0.25 -1.16 0.00 0.00 179.01 176.41 2pfk n THR 238 N -3.17 0.57 -0.87 1.13 -2.24 -0.57 -4.98 114.28 104.15 2pfk n THR 238 Ca 0.02 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2pfk n THR 238 Cb 0.49 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 2pfk n THR 238 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pfk n GLY 239 N 2.12 0.85 3.74 3.38 0.00 0.54 -5.00 105.19 110.81 2pfk n GLY 239 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 2pfk n GLY 239 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pfk s ARG 240 N -0.13 4.33 0.01 1.61 6.06 -1.25 -5.02 118.95 124.56 2pfk s ARG 240 Ca 0.00 0.63 -0.30 0.00 -2.50 0.00 0.00 55.73 53.56 2pfk s ARG 240 Cb 0.00 -3.40 -0.08 0.00 0.06 0.00 0.00 34.95 31.54 2pfk s ARG 240 CO 0.00 0.23 1.82 -2.00 -2.50 0.00 0.00 175.30 172.85 2pfk s GLU 241 N 0.31 4.16 -0.06 5.12 2.12 -1.26 -4.16 118.70 124.92 2pfk s GLU 241 Ca 0.30 2.43 0.05 0.00 0.36 0.00 0.00 54.97 58.11 2pfk s GLU 241 Cb -0.17 -4.03 -0.01 0.00 0.26 0.00 0.00 34.13 30.18 2pfk s GLU 241 CO 0.14 -0.89 -0.23 0.99 -0.54 0.00 0.00 175.26 174.73 2pfk s THR 242 N 4.11 1.92 -0.02 -1.70 2.01 -1.26 -1.76 115.64 118.94 2pfk s THR 242 Ca 0.81 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.87 2pfk s THR 242 Cb -0.39 -1.63 -0.00 0.00 0.01 0.00 0.00 72.50 70.48 2pfk s THR 242 CO 0.36 0.53 -0.11 -0.13 -0.69 0.00 0.00 174.62 174.59 2pfk s ARG 243 N -0.01 0.96 -0.07 4.92 1.81 -0.98 -4.74 118.95 120.83 2pfk s ARG 243 Ca -0.07 -0.37 -0.05 0.00 -1.72 0.00 0.00 55.73 53.52 2pfk s ARG 243 Cb -0.14 -0.91 -0.04 0.00 -0.45 0.00 0.00 34.95 33.41 2pfk s ARG 243 CO 0.04 0.20 0.13 0.00 -0.68 0.00 0.00 175.30 174.99 2pfk s ALA 244 N -0.09 3.81 -0.12 2.13 0.00 -1.26 -1.33 121.76 124.89 2pfk s ALA 244 Ca 0.01 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.28 2pfk s ALA 244 Cb -0.06 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.22 2pfk s ALA 244 CO -0.00 0.66 -0.16 0.99 0.00 0.00 0.00 175.76 177.25 2pfk s THR 245 N -1.11 1.60 -0.42 0.00 2.01 0.21 -4.95 115.64 112.97 2pfk s THR 245 Ca 0.19 -0.70 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 2pfk s THR 245 Cb -0.12 -1.45 0.07 0.00 0.01 0.00 0.00 72.50 71.00 2pfk s THR 245 CO 0.09 0.46 0.27 -0.69 -0.69 0.00 0.00 174.62 174.06 2pfk s VAL 246 N 0.99 4.51 0.25 3.82 1.01 -1.26 -0.96 120.40 128.76 2pfk s VAL 246 Ca -0.06 -1.21 -0.02 0.00 0.00 0.00 0.00 61.98 60.70 2pfk s VAL 246 Cb -0.15 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.63 2pfk s VAL 246 CO -0.02 -0.46 1.72 -0.07 0.00 0.00 0.00 175.10 176.27 2pfk h LEU 247 N 8.48 0.71 0.00 3.92 3.38 -1.95 -3.48 115.31 126.37 2pfk h LEU 247 Ca -0.25 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2pfk h LEU 247 Cb 1.09 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2pfk h LEU 247 CO 0.76 0.84 0.00 0.61 0.09 0.00 0.00 178.44 180.74 2pfk n GLY 248 N -0.49 1.03 0.00 0.83 0.00 -1.26 -3.54 105.19 101.76 2pfk n GLY 248 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2pfk n GLY 248 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2pfk n HIS 249 N 0.00 0.00 0.22 1.61 8.25 -1.26 -2.36 115.22 121.69 2pfk n HIS 249 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 2pfk n HIS 249 Cb 0.00 -0.05 0.51 0.00 1.12 0.00 0.00 29.99 31.58 2pfk n HIS 249 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 2pfk h ILE 250 N 0.00 0.74 0.00 1.59 3.07 -1.96 -2.63 117.51 118.32 2pfk h ILE 250 Ca 0.00 -1.02 -0.03 0.00 1.55 0.00 0.00 64.86 65.36 2pfk h ILE 250 Cb 0.02 1.64 -0.00 0.00 -0.27 0.00 0.00 36.82 38.20 2pfk h ILE 250 CO 0.00 0.24 -0.16 1.56 -1.05 0.00 0.00 178.15 178.74 2pfk h GLN 251 N 0.00 0.00 0.00 0.16 4.20 -1.73 -2.65 115.11 115.09 2pfk h GLN 251 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2pfk h GLN 251 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 2pfk h GLN 251 CO 0.03 0.16 -0.32 0.54 -0.67 0.00 0.00 178.83 178.57 2pfk n ARG 252 N -3.86 0.25 -3.99 1.46 5.12 -0.99 -4.28 116.66 110.37 2pfk n ARG 252 Ca -0.02 0.14 -0.23 0.00 -1.93 0.00 0.00 57.85 55.81 2pfk n ARG 252 Cb 0.25 -1.72 -0.06 0.00 -1.16 0.00 0.00 32.46 29.78 2pfk n ARG 252 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2pfk s GLY 253 N -3.56 2.02 0.00 -0.13 0.00 -1.00 -4.06 107.32 100.58 2pfk s GLY 253 Ca 0.09 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 42.95 2pfk s GLY 253 CO 0.66 -1.75 0.00 0.61 0.00 0.00 0.00 173.10 172.62 2pfk n GLY 254 N -1.25 1.61 3.70 0.20 0.00 -1.26 -4.90 105.19 103.28 2pfk n GLY 254 Ca -0.02 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 2pfk n GLY 254 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pfk s SER 255 N 0.00 6.98 0.31 1.61 0.15 -1.26 -3.39 113.70 118.10 2pfk s SER 255 Ca 0.00 2.00 -0.30 0.00 0.70 0.00 0.00 55.95 58.35 2pfk s SER 255 Cb 0.00 -2.57 -0.12 0.00 -1.71 0.00 0.00 66.02 61.63 2pfk s SER 255 CO 0.00 -0.60 1.56 -0.81 1.20 0.00 0.00 173.24 174.59 2pfk n PRO 256 N 4.83 2.68 -1.14 5.44 -0.04 -1.26 -4.97 135.00 140.54 2pfk n PRO 256 Ca 0.11 0.95 -0.29 0.00 -0.04 0.00 0.00 63.50 64.23 2pfk n PRO 256 Cb 0.45 -2.71 0.16 0.00 -0.04 0.00 0.00 33.50 31.36 2pfk n PRO 256 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2pfk s VAL 257 N -0.30 2.40 0.18 0.52 -7.23 -1.26 -4.71 120.40 110.00 2pfk s VAL 257 Ca 0.61 0.13 -0.13 0.00 -1.81 0.00 0.00 61.98 60.78 2pfk s VAL 257 Cb -0.49 -2.58 0.08 0.00 0.56 0.00 0.00 36.38 33.94 2pfk s VAL 257 CO 0.53 -0.17 1.77 -0.65 -0.31 0.00 0.00 175.10 176.26 2pfk h PRO 258 N -1.74 0.41 -0.45 4.82 0.11 -1.98 0.20 132.00 133.36 2pfk h PRO 258 Ca -0.52 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.66 2pfk h PRO 258 Cb 1.30 -0.09 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 2pfk h PRO 258 CO 0.55 0.27 -0.09 -0.92 -0.21 0.00 0.00 178.00 177.59 2pfk h TYR 259 N 0.42 -0.20 -0.63 0.65 3.20 -1.98 0.09 116.97 118.51 2pfk h TYR 259 Ca 0.22 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 2pfk h TYR 259 Cb 0.18 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 2pfk h TYR 259 CO -0.13 -0.18 0.10 -0.44 -1.64 0.00 0.00 178.16 175.87 2pfk h ASP 260 N 0.02 1.00 -0.68 -2.11 3.32 -1.80 0.22 116.42 116.39 2pfk h ASP 260 Ca 0.22 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2pfk h ASP 260 Cb 0.33 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 2pfk h ASP 260 CO -0.45 1.01 0.41 0.03 -1.72 0.00 0.00 179.24 178.53 2pfk h ARG 261 N 0.96 0.92 0.02 3.56 3.08 0.37 -1.36 114.38 121.93 2pfk h ARG 261 Ca 0.19 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 2pfk h ARG 261 Cb 0.43 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2pfk h ARG 261 CO 0.01 0.65 -0.01 0.82 -1.07 0.00 0.00 179.97 180.37 2pfk h ILE 262 N 0.92 1.30 -0.15 2.04 2.04 -0.73 -1.81 117.51 121.11 2pfk h ILE 262 Ca 0.24 -1.01 0.04 0.00 1.00 0.00 0.00 64.86 65.13 2pfk h ILE 262 Cb -0.04 1.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 2pfk h ILE 262 CO -0.05 0.26 -0.11 0.25 0.00 0.00 0.00 178.15 178.50 2pfk h LEU 263 N -0.47 -0.35 -1.16 1.44 5.85 -0.58 0.21 115.31 120.25 2pfk h LEU 263 Ca -0.00 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2pfk h LEU 263 Cb 0.45 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 2pfk h LEU 263 CO 0.01 -0.15 0.11 0.00 -0.34 0.00 0.00 178.44 178.07 2pfk h ALA 264 N 1.00 1.32 -0.01 1.25 0.00 -1.33 -0.18 119.26 121.31 2pfk h ALA 264 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2pfk h ALA 264 Cb 0.26 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2pfk h ALA 264 CO -0.23 0.48 -0.01 0.77 0.00 0.00 0.00 179.25 180.27 2pfk h SER 265 N 0.69 0.03 -0.07 0.00 0.02 -0.41 -2.55 113.55 111.27 2pfk h SER 265 Ca 0.16 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2pfk h SER 265 Cb 0.26 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 2pfk h SER 265 CO -0.00 0.45 0.03 0.03 -1.14 0.00 0.00 176.83 176.20 2pfk h ARG 266 N -0.39 0.09 -0.00 3.45 3.08 -0.42 -2.77 114.38 117.42 2pfk h ARG 266 Ca 0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2pfk h ARG 266 Cb 0.44 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2pfk h ARG 266 CO 0.00 0.17 -0.21 0.52 -1.07 0.00 0.00 179.97 179.39 2pfk h MET 267 N -0.01 0.01 -0.13 0.04 2.86 -1.09 -2.54 114.93 114.07 2pfk h MET 267 Ca 0.02 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 2pfk h MET 267 Cb 0.11 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 2pfk h MET 267 CO -0.00 0.21 -0.10 0.78 1.06 0.00 0.00 176.91 178.86 2pfk h GLY 268 N 0.63 0.32 0.95 8.32 0.00 -1.23 -2.50 103.07 109.55 2pfk h GLY 268 Ca -0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 2pfk h GLY 268 CO 0.03 0.28 0.02 0.00 0.00 0.00 0.00 176.54 176.86 2pfk h ALA 269 N 0.62 0.54 0.00 3.60 0.00 -1.38 -3.04 119.26 119.60 2pfk h ALA 269 Ca 0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2pfk h ALA 269 Cb 0.60 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2pfk h ALA 269 CO 0.03 0.30 -0.15 -0.92 0.00 0.00 0.00 179.25 178.51 2pfk h TYR 270 N 0.53 0.00 -0.16 0.00 3.20 -1.47 -1.85 116.97 117.22 2pfk h TYR 270 Ca 0.12 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.86 2pfk h TYR 270 Cb 0.45 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2pfk h TYR 270 CO 0.03 0.15 -0.45 0.00 -1.64 0.00 0.00 178.16 176.25 2pfk h ALA 271 N 1.85 0.92 -0.45 1.82 0.00 -1.33 -2.04 119.26 120.03 2pfk h ALA 271 Ca -0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 2pfk h ALA 271 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2pfk h ALA 271 CO 0.02 0.64 -0.16 0.82 0.00 0.00 0.00 179.25 180.57 2pfk h ILE 272 N 0.32 1.27 0.04 0.00 1.08 -1.31 -1.63 117.51 117.29 2pfk h ILE 272 Ca 0.02 -1.30 0.02 0.00 -0.39 0.00 0.00 64.86 63.21 2pfk h ILE 272 Cb 0.92 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.81 2pfk h ILE 272 CO 0.08 0.44 -0.13 0.44 -0.69 0.00 0.00 178.15 178.29 2pfk h ASP 273 N 0.75 -0.36 -0.71 1.72 3.45 -1.04 -1.77 116.42 118.45 2pfk h ASP 273 Ca 0.11 0.05 0.05 0.00 0.43 0.00 0.00 57.03 57.67 2pfk h ASP 273 Cb 0.72 0.14 -0.05 0.00 -0.56 0.00 0.00 39.33 39.58 2pfk h ASP 273 CO 0.05 -0.19 0.42 -0.07 -1.57 0.00 0.00 179.24 177.89 2pfk h LEU 274 N -0.24 0.65 -0.77 1.55 3.38 -1.34 -2.05 115.31 116.50 2pfk h LEU 274 Ca 0.03 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2pfk h LEU 274 Cb 0.27 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2pfk h LEU 274 CO -0.10 0.43 0.29 -0.07 0.09 0.00 0.00 178.44 179.08 2pfk h LEU 275 N 0.79 1.08 -0.70 1.67 3.38 -0.87 -1.91 115.31 118.74 2pfk h LEU 275 Ca 0.31 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2pfk h LEU 275 Cb 0.13 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2pfk h LEU 275 CO -0.16 0.97 0.32 -0.07 0.09 0.00 0.00 178.44 179.59 2pfk h LEU 276 N 1.12 0.93 0.00 1.67 3.38 -0.73 -2.84 115.31 118.84 2pfk h LEU 276 Ca 0.25 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2pfk h LEU 276 Cb 0.24 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2pfk h LEU 276 CO -0.02 0.82 0.00 0.00 0.09 0.00 0.00 178.44 179.33 2pfk n ALA 277 N -2.38 2.32 -0.85 1.53 0.00 -0.83 -4.86 120.51 115.44 2pfk n ALA 277 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2pfk n ALA 277 Cb 0.14 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2pfk n ALA 277 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pfk n GLY 278 N 0.38 0.54 3.67 0.00 0.00 -1.07 -5.07 105.19 103.63 2pfk n GLY 278 Ca 0.11 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 2pfk n GLY 278 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pfk s TYR 279 N -2.00 2.04 -0.16 1.61 1.51 -0.73 -5.02 117.35 114.59 2pfk s TYR 279 Ca 0.00 1.30 -0.30 0.00 -1.01 0.00 0.00 57.07 57.06 2pfk s TYR 279 Cb 0.00 -3.18 0.13 0.00 -0.11 0.00 0.00 41.96 38.80 2pfk s TYR 279 CO 0.00 -2.75 1.00 0.20 -1.11 0.00 0.00 175.55 172.89 2pfk s GLY 280 N -3.16 -0.27 -1.20 0.71 0.00 -1.26 -4.68 107.32 97.47 2pfk s GLY 280 Ca 0.65 2.03 0.00 0.00 0.00 0.00 0.00 44.72 47.40 2pfk s GLY 280 CO 0.58 1.03 0.00 0.61 0.00 0.00 0.00 173.10 175.32 2pfk n GLY 281 N 0.73 -0.17 3.77 0.20 0.00 -0.55 -4.89 105.19 104.27 2pfk n GLY 281 Ca -0.10 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 2pfk n GLY 281 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pfk s ARG 282 N -4.67 2.87 -0.05 1.61 1.81 -1.13 -0.41 118.95 118.99 2pfk s ARG 282 Ca 0.00 -0.72 0.03 0.00 -1.72 0.00 0.00 55.73 53.31 2pfk s ARG 282 Cb 0.00 -2.71 0.01 0.00 -0.45 0.00 0.00 34.95 31.80 2pfk s ARG 282 CO 0.00 0.55 -0.12 0.00 -0.68 0.00 0.00 175.30 175.05 2pfk s VAL 284 N 0.37 4.85 0.22 0.00 1.01 0.24 -1.54 120.40 125.56 2pfk s VAL 284 Ca -0.08 0.39 -0.23 0.00 0.00 0.00 0.00 61.98 62.06 2pfk s VAL 284 Cb -0.13 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.45 2pfk s VAL 284 CO 0.02 -0.86 0.77 -0.83 0.00 0.00 0.00 175.10 174.20 2pfk s GLY 285 N -3.98 -0.21 -0.14 4.51 0.00 -0.38 -4.45 107.32 102.67 2pfk s GLY 285 Ca 0.49 -0.05 0.01 0.00 0.00 0.00 0.00 44.72 45.18 2pfk s GLY 285 CO 0.45 -0.02 -0.16 -1.50 0.00 0.00 0.00 173.10 171.87 2pfk s ILE 286 N -3.72 1.68 -0.05 0.90 2.07 -1.26 -1.35 121.20 119.47 2pfk s ILE 286 Ca 0.10 -0.72 0.01 0.00 -1.41 0.00 0.00 60.65 58.63 2pfk s ILE 286 Cb -0.04 -1.54 0.02 0.00 0.13 0.00 0.00 42.46 41.03 2pfk s ILE 286 CO 0.03 0.48 -0.07 -1.10 -1.91 0.00 0.00 174.94 172.36 2pfk s GLN 287 N 1.26 1.12 -1.49 3.50 -0.21 0.11 0.54 119.66 124.48 2pfk s GLN 287 Ca 0.01 -0.20 -0.02 0.00 0.02 0.00 0.00 55.36 55.16 2pfk s GLN 287 Cb -0.14 -1.05 0.00 0.00 1.00 0.00 0.00 33.01 32.83 2pfk s GLN 287 CO -0.08 -0.06 0.04 0.09 -2.12 0.00 0.00 175.29 173.16 2pfk n ASN 288 N 4.04 0.63 0.00 5.90 5.03 -1.26 0.44 115.26 130.04 2pfk n ASN 288 Ca -0.23 -1.25 0.00 0.00 0.87 0.00 0.00 54.58 53.97 2pfk n ASN 288 Cb 0.51 -1.55 0.00 0.00 -1.02 0.00 0.00 39.78 37.72 2pfk n ASN 288 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2pfk n GLU 289 N -4.54 -0.97 -4.55 3.52 -0.58 -1.26 -4.97 120.64 107.29 2pfk n GLU 289 Ca -0.31 0.24 -0.34 0.00 -0.42 0.00 0.00 57.16 56.34 2pfk n GLU 289 Cb 0.68 -4.13 -0.11 0.00 -0.57 0.00 0.00 31.44 27.30 2pfk n GLU 289 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2pfk s GLN 290 N -1.11 3.01 0.10 3.49 2.00 0.17 -5.09 119.66 122.24 2pfk s GLN 290 Ca 0.00 -0.53 -0.30 0.00 -2.00 0.00 0.00 55.36 52.53 2pfk s GLN 290 Cb 0.00 -2.69 -0.05 0.00 0.80 0.00 0.00 33.01 31.06 2pfk s GLN 290 CO 0.00 0.56 0.99 -0.51 -0.50 0.00 0.00 175.29 175.83 2pfk s LEU 291 N -0.51 4.47 0.24 3.68 1.43 -1.26 0.04 118.68 126.77 2pfk s LEU 291 Ca 0.08 1.81 0.04 0.00 -1.03 0.00 0.00 54.13 55.03 2pfk s LEU 291 Cb -0.12 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 2pfk s LEU 291 CO 0.02 -0.13 -0.01 0.68 0.23 0.00 0.00 176.35 177.13 2pfk s VAL 292 N 0.20 1.13 -0.05 -1.59 -7.23 -0.46 -4.92 120.40 107.48 2pfk s VAL 292 Ca 0.49 -2.05 -0.05 0.00 -1.81 0.00 0.00 61.98 58.56 2pfk s VAL 292 Cb -0.24 -2.37 0.01 0.00 0.56 0.00 0.00 36.38 34.35 2pfk s VAL 292 CO 0.30 -0.31 0.15 -1.38 -0.31 0.00 0.00 175.10 173.54 2pfk s HIS 293 N -3.36 -0.15 0.25 2.82 -3.43 -1.26 -1.24 115.29 108.91 2pfk s HIS 293 Ca 0.29 0.37 0.07 0.00 -0.80 0.00 0.00 55.06 54.99 2pfk s HIS 293 Cb 0.05 0.05 -0.05 0.00 -1.43 0.00 0.00 32.58 31.20 2pfk s HIS 293 CO 0.09 -0.09 -0.09 -1.01 -2.00 0.00 0.00 174.74 171.65 2pfk s HIS 294 N 0.01 1.84 -0.10 0.38 3.76 -0.59 -4.95 115.29 115.65 2pfk s HIS 294 Ca -0.01 -0.66 -0.30 0.00 -0.15 0.00 0.00 55.06 53.95 2pfk s HIS 294 Cb -0.01 -0.98 -0.02 0.00 1.11 0.00 0.00 32.58 32.68 2pfk s HIS 294 CO 0.00 0.30 1.11 0.34 -0.85 0.00 0.00 174.74 175.64 2pfk s ASP 295 N -3.39 7.13 0.31 1.40 2.15 -1.26 -0.50 116.67 122.51 2pfk s ASP 295 Ca 0.27 1.65 0.03 0.00 0.43 0.00 0.00 52.55 54.93 2pfk s ASP 295 Cb 0.02 -2.55 0.80 0.00 -0.30 0.00 0.00 42.92 40.89 2pfk s ASP 295 CO 0.10 -0.54 1.57 0.40 -0.17 0.00 0.00 175.17 176.53 2pfk h ILE 296 N 5.11 0.02 -1.02 4.11 2.04 -1.04 0.81 117.51 127.55 2pfk h ILE 296 Ca -0.31 -0.00 0.24 0.00 1.00 0.00 0.00 64.86 65.79 2pfk h ILE 296 Cb 1.14 0.01 -0.11 0.00 -0.74 0.00 0.00 36.82 37.12 2pfk h ILE 296 CO 0.88 0.00 0.63 0.40 0.00 0.00 0.00 178.15 180.06 2pfk h ILE 297 N 0.01 0.56 0.00 -0.67 2.04 -1.92 0.45 117.51 117.98 2pfk h ILE 297 Ca 0.62 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 66.25 2pfk h ILE 297 Cb 1.31 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2pfk h ILE 297 CO -0.91 0.10 -0.26 0.44 0.00 0.00 0.00 178.15 177.52 2pfk h ASP 298 N 0.53 0.00 0.34 1.72 3.45 -1.23 -2.90 116.42 118.33 2pfk h ASP 298 Ca 0.61 0.00 -0.32 0.00 0.43 0.00 0.00 57.03 57.74 2pfk h ASP 298 Cb 1.29 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.04 2pfk h ASP 298 CO -0.38 0.26 -1.76 0.00 -1.57 0.00 0.00 179.24 175.79 2pfk h ALA 299 N 1.74 0.47 0.00 3.45 0.00 -0.21 -3.48 119.26 121.23 2pfk h ALA 299 Ca -0.00 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 53.59 2pfk h ALA 299 Cb 0.49 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2pfk h ALA 299 CO 0.03 1.33 0.00 -0.89 0.00 0.00 0.00 179.25 179.72