#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 5.24 -0.06 0.00 -1.09 -1.26 -4.99 121.20 119.04 2pfk s ILE 1 Ca 0.00 0.57 0.01 0.00 -2.23 0.00 0.00 60.65 59.00 2pfk s ILE 1 Cb 0.00 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 2pfk s ILE 1 CO 0.00 0.27 -0.03 0.29 -1.23 0.00 0.00 174.94 174.23 2pfk n LYS 2 N 4.50 0.97 -4.21 2.79 4.01 -1.26 -4.99 118.16 119.97 2pfk n LYS 2 Ca -0.10 0.02 -0.22 0.00 -0.51 0.00 0.00 58.31 57.50 2pfk n LYS 2 Cb 0.51 -1.12 -0.17 0.00 -0.51 0.00 0.00 35.03 33.75 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 -2.12 1.12 0.18 1.97 2.20 -1.26 -1.73 119.74 120.10 2pfk s LYS 3 Ca -0.06 -0.19 0.11 0.00 -0.36 0.00 0.00 55.97 55.47 2pfk s LYS 3 Cb 0.02 -1.09 -0.04 0.00 -1.51 0.00 0.00 37.83 35.21 2pfk s LYS 3 CO 0.15 -0.09 -0.21 0.96 -0.36 0.00 0.00 175.35 175.80 2pfk s ILE 4 N 1.04 2.56 0.09 5.43 -4.36 -0.61 0.68 121.20 126.03 2pfk s ILE 4 Ca -0.09 -1.87 0.08 0.00 -0.26 0.00 0.00 60.65 58.51 2pfk s ILE 4 Cb -0.14 -2.22 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 2pfk s ILE 4 CO -0.00 -0.07 -0.16 -0.83 0.24 0.00 0.00 174.94 174.12 2pfk s GLY 5 N -2.58 1.68 -0.04 6.27 0.00 0.34 -0.59 107.32 112.40 2pfk s GLY 5 Ca 0.20 -1.27 0.02 0.00 0.00 0.00 0.00 44.72 43.67 2pfk s GLY 5 CO 0.10 -1.22 -0.07 0.54 0.00 0.00 0.00 173.10 172.45 2pfk s VAL 6 N -1.09 0.71 0.06 1.40 0.11 -0.02 -0.39 120.40 121.17 2pfk s VAL 6 Ca 0.18 -0.26 -0.03 0.00 -2.93 0.00 0.00 61.98 58.94 2pfk s VAL 6 Cb -0.11 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 2pfk s VAL 6 CO 0.09 0.25 0.03 -1.48 -3.33 0.00 0.00 175.10 170.66 2pfk s LEU 7 N 0.62 2.17 -0.11 2.54 0.05 -0.85 -0.60 118.68 122.50 2pfk s LEU 7 Ca -0.09 -0.87 0.03 0.00 0.05 0.00 0.00 54.13 53.24 2pfk s LEU 7 Cb -0.13 0.44 0.01 0.00 -2.05 0.00 0.00 46.19 44.46 2pfk s LEU 7 CO 0.01 -0.62 -0.19 0.42 -0.55 0.00 0.00 176.35 175.42 2pfk s THR 8 N -3.77 1.79 0.03 5.48 -4.23 -1.26 -0.10 115.64 113.59 2pfk s THR 8 Ca 0.05 -0.83 0.03 0.00 -1.18 0.00 0.00 61.69 59.76 2pfk s THR 8 Cb 0.06 -1.59 -0.02 0.00 1.34 0.00 0.00 72.50 72.29 2pfk s THR 8 CO -0.10 0.50 -0.09 -0.55 -0.54 0.00 0.00 174.62 173.84 2pfk s SER 9 N 0.74 1.08 0.00 3.99 0.15 0.11 -2.95 113.70 116.81 2pfk s SER 9 Ca -0.11 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2pfk s SER 9 Cb -0.16 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 2pfk s SER 9 CO 0.01 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2pfk n GLY 10 N 1.88 -1.74 3.75 9.45 0.00 -1.26 -2.86 105.19 114.40 2pfk n GLY 10 Ca -0.19 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.04 2.48 0.62 -0.02 0.00 -1.26 -4.64 107.32 104.46 2pfk s GLY 11 Ca 0.00 1.23 -0.19 0.00 0.00 0.00 0.00 44.72 45.76 2pfk s GLY 11 CO 0.00 2.14 1.30 0.51 0.00 0.00 0.00 173.10 177.05 2pfk s ASP 12 N 0.21 4.78 0.01 1.64 -4.77 -1.26 -4.76 116.67 112.51 2pfk s ASP 12 Ca 0.57 2.64 0.01 0.00 -3.30 0.00 0.00 52.55 52.47 2pfk s ASP 12 Cb -0.39 -2.62 -0.01 0.00 -1.09 0.00 0.00 42.92 38.81 2pfk s ASP 12 CO 0.43 -1.89 -0.03 0.00 0.70 0.00 0.00 175.17 174.38 2pfk s ALA 13 N -1.38 0.24 0.08 2.11 0.00 -1.26 -4.74 121.76 116.81 2pfk s ALA 13 Ca 0.80 -0.25 -0.31 0.00 0.00 0.00 0.00 51.96 52.20 2pfk s ALA 13 Cb -0.38 -0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.64 2pfk s ALA 13 CO 0.41 0.02 1.65 -2.14 0.00 0.00 0.00 175.76 175.70 2pfk s PRO 14 N -0.42 4.20 0.00 0.00 0.02 -1.26 -2.38 135.00 135.17 2pfk s PRO 14 Ca -0.02 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.34 2pfk s PRO 14 Cb -0.03 -3.55 0.00 0.00 0.02 0.00 0.00 34.50 30.93 2pfk s PRO 14 CO -0.00 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 2pfk n GLY 15 N 3.98 2.09 0.37 0.52 0.00 -1.26 -3.01 105.19 107.88 2pfk n GLY 15 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 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 0.33 1.04 -0.72 1.61 2.86 -1.63 -0.89 114.93 117.53 2pfk h MET 16 Ca 0.00 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 2pfk h MET 16 Cb 0.00 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.39 2pfk h MET 16 CO 0.00 0.69 0.23 -0.91 1.06 0.00 0.00 176.91 177.98 2pfk h ASN 17 N 1.08 1.03 0.71 1.22 2.35 -1.77 0.18 115.58 120.38 2pfk h ASN 17 Ca 0.41 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.90 2pfk h ASN 17 Cb 0.20 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2pfk h ASN 17 CO -0.16 0.96 -0.33 0.00 -1.65 0.00 0.00 177.43 176.24 2pfk h ALA 18 N 1.18 1.09 -0.01 -0.83 0.00 -1.32 -2.59 119.26 116.78 2pfk h ALA 18 Ca 0.23 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2pfk h ALA 18 Cb 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2pfk h ALA 18 CO -0.01 0.41 -0.17 0.00 0.00 0.00 0.00 179.25 179.49 2pfk h ALA 19 N 1.67 0.04 -0.68 0.00 0.00 -0.78 -0.49 119.26 119.02 2pfk h ALA 19 Ca -0.00 -0.42 0.09 0.00 0.00 0.00 0.00 54.91 54.57 2pfk h ALA 19 Cb 0.78 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 2pfk h ALA 19 CO 0.04 0.02 0.33 0.82 0.00 0.00 0.00 179.25 180.46 2pfk h ILE 20 N -0.53 0.86 -0.44 0.00 2.04 -0.90 -1.22 117.51 117.32 2pfk h ILE 20 Ca -0.02 -0.20 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 2pfk h ILE 20 Cb 0.89 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2pfk h ILE 20 CO 0.03 0.11 -0.01 -0.09 0.00 0.00 0.00 178.15 178.18 2pfk h ARG 21 N 0.58 0.78 -0.23 2.37 2.43 -1.49 0.48 114.38 119.30 2pfk h ARG 21 Ca 0.33 -0.26 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2pfk h ARG 21 Cb 0.33 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2pfk h ARG 21 CO -0.26 0.85 0.10 0.78 -1.51 0.00 0.00 179.97 179.94 2pfk h GLY 22 N 0.62 0.30 0.89 2.80 0.00 -0.21 -0.82 103.07 106.63 2pfk h GLY 22 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 2pfk h GLY 22 CO 0.03 0.05 -0.25 -2.08 0.00 0.00 0.00 176.54 174.28 2pfk h VAL 23 N 0.22 0.48 -0.52 4.60 2.07 -1.09 -1.72 116.25 120.29 2pfk h VAL 23 Ca 0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 2pfk h VAL 23 Cb 0.05 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 2pfk h VAL 23 CO -0.08 0.00 0.32 0.58 0.02 0.00 0.00 177.57 178.41 2pfk h VAL 24 N -0.63 1.15 -0.42 2.57 2.07 -0.82 -0.11 116.25 120.06 2pfk h VAL 24 Ca -0.05 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 2pfk h VAL 24 Cb 0.52 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2pfk h VAL 24 CO 0.05 0.15 0.02 0.03 0.02 0.00 0.00 177.57 177.84 2pfk h ARG 25 N 0.70 0.73 -0.28 1.57 3.08 -1.13 -1.99 114.38 117.06 2pfk h ARG 25 Ca 0.19 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 2pfk h ARG 25 Cb -0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2pfk h ARG 25 CO -0.04 0.80 -0.01 0.77 -1.07 0.00 0.00 179.97 180.42 2pfk h SER 26 N 0.57 0.50 0.49 7.04 0.02 -1.23 -2.94 113.55 118.01 2pfk h SER 26 Ca 0.12 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 2pfk h SER 26 Cb 0.46 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 2pfk h SER 26 CO 0.02 0.70 -0.44 0.00 -1.14 0.00 0.00 176.83 175.97 2pfk h ALA 27 N 0.82 -1.00 -0.79 3.77 0.00 -0.99 -2.38 119.26 118.69 2pfk h ALA 27 Ca 0.08 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.97 2pfk h ALA 27 Cb 0.45 0.62 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 2pfk h ALA 27 CO 0.02 -1.10 0.34 -0.07 0.00 0.00 0.00 179.25 178.43 2pfk h LEU 28 N -0.93 0.33 -1.33 0.00 4.07 -1.41 -0.84 115.31 115.20 2pfk h LEU 28 Ca -0.05 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2pfk h LEU 28 Cb 0.80 0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.59 2pfk h LEU 28 CO -0.03 0.12 0.42 0.74 -1.08 0.00 0.00 178.44 178.61 2pfk h THR 29 N 0.48 1.17 -0.32 0.22 2.02 -1.36 -1.18 112.91 113.93 2pfk h THR 29 Ca 0.44 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.28 2pfk h THR 29 Cb 0.67 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2pfk h THR 29 CO -0.41 0.17 0.00 -0.62 0.37 0.00 0.00 175.52 175.04 2pfk n GLU 30 N -4.43 2.13 -1.71 6.66 -0.58 -0.39 -4.92 120.64 117.41 2pfk n GLU 30 Ca 0.07 -1.32 -0.15 0.00 -0.42 0.00 0.00 57.16 55.34 2pfk n GLU 30 Cb 0.05 -1.46 -0.05 0.00 -0.57 0.00 0.00 31.44 29.42 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 0.81 0.97 3.93 0.62 0.00 -0.45 -5.03 105.19 106.04 2pfk n GLY 31 Ca 0.12 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.70 2.81 0.00 0.99 1.43 -0.77 -4.98 118.68 114.45 2pfk s LEU 32 Ca 0.00 0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 2pfk s LEU 32 Cb 0.00 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 2pfk s LEU 32 CO 0.00 -1.63 -0.02 -1.61 0.23 0.00 0.00 176.35 173.32 2pfk s GLU 33 N -5.27 2.71 -0.09 1.70 2.02 -0.71 -4.28 118.70 114.79 2pfk s GLU 33 Ca 0.61 -0.65 0.02 0.00 0.02 0.00 0.00 54.97 54.97 2pfk s GLU 33 Cb -0.10 -2.62 0.02 0.00 0.10 0.00 0.00 34.13 31.52 2pfk s GLU 33 CO 0.45 0.62 -0.12 0.08 0.02 0.00 0.00 175.26 176.30 2pfk s VAL 34 N -1.06 1.23 -0.17 2.63 1.01 -1.26 -1.58 120.40 121.21 2pfk s VAL 34 Ca 0.19 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 2pfk s VAL 34 Cb -0.11 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 2pfk s VAL 34 CO 0.09 0.39 -0.05 -0.04 0.00 0.00 0.00 175.10 175.49 2pfk s MET 35 N 0.97 3.56 -0.19 2.72 -1.94 0.24 -0.62 119.30 124.03 2pfk s MET 35 Ca -0.08 -0.57 -0.13 0.00 -1.71 0.00 0.00 55.69 53.20 2pfk s MET 35 Cb -0.15 -2.89 -0.05 0.00 2.01 0.00 0.00 34.83 33.75 2pfk s MET 35 CO -0.00 0.14 0.24 0.20 -0.01 0.00 0.00 175.02 175.59 2pfk s GLY 36 N 0.61 2.12 -0.22 -0.03 0.00 0.22 -0.84 107.32 109.19 2pfk s GLY 36 Ca -0.03 -0.58 -0.09 0.00 0.00 0.00 0.00 44.72 44.01 2pfk s GLY 36 CO 0.03 0.40 0.12 -0.42 0.00 0.00 0.00 173.10 173.23 2pfk s ILE 37 N 0.62 5.16 0.38 0.90 1.01 0.23 -0.92 121.20 128.58 2pfk s ILE 37 Ca 0.13 0.11 -0.24 0.00 0.00 0.00 0.00 60.65 60.66 2pfk s ILE 37 Cb -0.13 -3.38 -0.10 0.00 0.01 0.00 0.00 42.46 38.86 2pfk s ILE 37 CO 0.03 0.39 0.95 -0.31 0.00 0.00 0.00 174.94 176.00 2pfk s TYR 38 N 0.78 3.49 -1.58 3.97 2.02 -1.13 -4.27 117.35 120.63 2pfk s TYR 38 Ca 0.06 1.69 -0.15 0.00 -0.37 0.00 0.00 57.07 58.31 2pfk s TYR 38 Cb -0.13 -2.89 0.10 0.00 -0.40 0.00 0.00 41.96 38.64 2pfk s TYR 38 CO 0.02 0.03 0.92 -0.25 -1.57 0.00 0.00 175.55 174.70 2pfk n ASP 39 N -0.05 -4.30 0.00 2.29 10.43 -0.74 -1.93 116.55 122.25 2pfk n ASP 39 Ca 0.05 -0.85 0.00 0.00 2.57 0.00 0.00 54.79 56.56 2pfk n ASP 39 Cb 0.52 -3.56 0.00 0.00 1.84 0.00 0.00 41.12 39.92 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 -1.61 3.31 0.24 0.44 0.00 -1.15 -2.45 105.19 103.96 2pfk n GLY 40 Ca 0.04 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.58 1.61 0.05 -1.84 -2.97 116.97 113.24 2pfk h TYR 41 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 2pfk h TYR 41 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 2pfk h TYR 41 CO 0.00 0.17 0.02 1.25 -1.05 0.00 0.00 178.16 178.55 2pfk h LEU 42 N 0.00 0.97 -0.77 3.88 5.85 -1.73 -2.19 115.31 121.33 2pfk h LEU 42 Ca -0.00 -0.26 -0.11 0.00 0.84 0.00 0.00 57.88 58.35 2pfk h LEU 42 Cb 0.43 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2pfk h LEU 42 CO 0.02 1.02 -0.51 1.23 -0.34 0.00 0.00 178.44 179.86 2pfk h GLY 43 N 1.00 0.00 0.88 3.75 0.00 -1.22 0.20 103.07 107.68 2pfk h GLY 43 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 2pfk h GLY 43 CO 0.02 0.00 0.07 -2.00 0.00 0.00 0.00 176.54 174.63 2pfk h LEU 44 N 0.00 0.30 -0.31 3.11 5.85 -1.40 0.17 115.31 123.03 2pfk h LEU 44 Ca -0.01 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.41 2pfk h LEU 44 Cb 1.05 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 2pfk h LEU 44 CO 0.07 0.42 -0.25 0.22 -0.34 0.00 0.00 178.44 178.55 2pfk h TYR 45 N 0.17 0.85 -0.08 1.25 3.20 -1.19 -3.15 116.97 118.03 2pfk h TYR 45 Ca 0.07 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.70 2pfk h TYR 45 Cb 0.22 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2pfk h TYR 45 CO -0.00 0.98 0.00 0.39 -1.64 0.00 0.00 178.16 177.89 2pfk n GLU 46 N -4.28 1.45 -3.37 1.82 1.02 0.70 -4.73 120.64 113.25 2pfk n GLU 46 Ca -0.03 -0.67 -0.22 0.00 -0.02 0.00 0.00 57.16 56.22 2pfk n GLU 46 Cb 0.45 -1.38 0.06 0.00 -0.02 0.00 0.00 31.44 30.55 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 -0.13 -6.04 -4.33 1.62 2.03 -0.38 -4.98 116.55 104.34 2pfk n ASP 47 Ca 0.16 -0.44 -0.46 0.00 0.52 0.00 0.00 54.79 54.58 2pfk n ASP 47 Cb 0.24 -4.71 -0.06 0.00 -0.72 0.00 0.00 41.12 35.87 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 -6.06 2.99 0.32 -0.67 0.52 0.45 -5.03 118.95 111.48 2pfk s ARG 48 Ca 0.48 -1.59 0.03 0.00 -0.52 0.00 0.00 55.73 54.13 2pfk s ARG 48 Cb -0.21 -4.26 -0.04 0.00 0.52 0.00 0.00 34.95 30.96 2pfk s ARG 48 CO 0.59 -1.28 0.14 -1.64 0.02 0.00 0.00 175.30 173.13 2pfk s MET 49 N 1.71 1.66 -0.07 3.54 1.00 -1.26 -2.81 119.30 123.06 2pfk s MET 49 Ca 0.04 -1.96 -0.13 0.00 0.00 0.00 0.00 55.69 53.65 2pfk s MET 49 Cb -0.28 -0.28 0.03 0.00 0.00 0.00 0.00 34.83 34.30 2pfk s MET 49 CO 0.04 -0.43 0.31 0.54 0.00 0.00 0.00 175.02 175.49 2pfk s VAL 50 N -3.50 0.03 -0.06 -6.03 0.11 -0.10 -4.97 120.40 105.87 2pfk s VAL 50 Ca 0.34 -0.22 -0.21 0.00 -2.93 0.00 0.00 61.98 58.96 2pfk s VAL 50 Cb 0.05 -0.52 -0.05 0.00 -1.53 0.00 0.00 36.38 34.33 2pfk s VAL 50 CO 0.17 -0.12 0.59 -1.58 -3.33 0.00 0.00 175.10 170.82 2pfk s GLN 51 N -0.51 4.35 -0.18 1.54 2.00 -1.26 0.73 119.66 126.33 2pfk s GLN 51 Ca -0.06 0.69 -0.08 0.00 -2.00 0.00 0.00 55.36 53.90 2pfk s GLN 51 Cb -0.04 -3.40 -0.04 0.00 0.80 0.00 0.00 33.01 30.33 2pfk s GLN 51 CO 0.02 0.22 0.10 -0.51 -0.50 0.00 0.00 175.29 174.62 2pfk s LEU 52 N 0.33 4.03 0.00 3.68 1.43 0.21 -4.89 118.68 123.46 2pfk s LEU 52 Ca 0.31 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 2pfk s LEU 52 Cb -0.17 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.04 2pfk s LEU 52 CO 0.15 0.20 0.10 -0.90 0.23 0.00 0.00 176.35 176.14 2pfk n ASP 53 N 3.37 2.55 -0.26 2.29 3.85 -1.26 -4.54 116.55 122.55 2pfk n ASP 53 Ca -0.17 -2.29 0.04 0.00 -0.71 0.00 0.00 54.79 51.66 2pfk n ASP 53 Cb 0.52 0.12 0.17 0.00 -1.35 0.00 0.00 41.12 40.59 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 0.54 -0.49 0.11 2.47 -1.99 -2.73 114.38 112.29 2pfk h ARG 54 Ca -0.24 -0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.37 2pfk h ARG 54 Cb 0.79 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 2pfk h ARG 54 CO 0.39 0.36 -0.01 1.88 0.56 0.00 0.00 179.97 183.15 2pfk h TYR 55 N 0.56 0.89 -0.05 3.04 0.05 -1.99 -2.69 116.97 116.79 2pfk h TYR 55 Ca 0.39 -0.13 0.02 0.00 0.05 0.00 0.00 58.73 59.06 2pfk h TYR 55 Cb 0.51 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 38.01 2pfk h TYR 55 CO -0.12 0.83 0.04 0.66 -1.05 0.00 0.00 178.16 178.51 2pfk h SER 56 N 0.77 0.00 -0.20 3.88 4.64 -1.87 -2.28 113.55 118.50 2pfk h SER 56 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2pfk h SER 56 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2pfk h SER 56 CO 0.02 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.31 2pfk n VAL 57 N -4.51 0.55 -0.34 0.95 0.24 -1.20 -4.80 118.33 109.22 2pfk n VAL 57 Ca -0.02 -0.77 0.10 0.00 -2.04 0.00 0.00 64.34 61.61 2pfk n VAL 57 Cb 0.14 0.84 0.28 0.00 -1.47 0.00 0.00 33.84 33.63 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 2.16 0.72 -2.11 -1.34 4.64 -1.06 -3.05 113.55 113.51 2pfk h SER 58 Ca 0.00 0.09 -0.57 0.00 -0.47 0.00 0.00 61.79 60.84 2pfk h SER 58 Cb 0.62 -0.04 -0.42 0.00 -0.31 0.00 0.00 62.40 62.26 2pfk h SER 58 CO 0.00 0.29 -0.75 -0.90 -0.87 0.00 0.00 176.83 174.59 2pfk n ASP 59 N -4.78 3.90 -0.00 4.97 5.68 -1.26 -4.78 116.55 120.27 2pfk n ASP 59 Ca 0.21 -3.57 0.06 0.00 -0.50 0.00 0.00 54.79 50.99 2pfk n ASP 59 Cb 0.50 -0.56 -0.08 0.00 -1.14 0.00 0.00 41.12 39.84 2pfk n ASP 59 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 2pfk n MET 60 N -0.20 0.99 -0.29 0.11 2.81 -1.16 -4.63 117.12 114.76 2pfk n MET 60 Ca 0.31 -0.08 0.03 0.00 -1.81 0.00 0.00 57.70 56.14 2pfk n MET 60 Cb 0.48 -1.22 0.17 0.00 -0.71 0.00 0.00 33.22 31.93 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 0.92 -0.30 2.02 2.10 -1.85 -2.56 117.51 117.84 2pfk h ILE 61 Ca 0.00 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.66 2pfk h ILE 61 Cb 0.47 0.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.24 2pfk h ILE 61 CO 0.00 0.15 0.00 -0.46 -1.08 0.00 0.00 178.15 176.76 2pfk n ASN 62 N -4.73 2.63 -4.70 2.19 6.94 -1.26 -4.55 115.26 111.78 2pfk n ASN 62 Ca 0.14 -1.88 -0.39 0.00 -0.02 0.00 0.00 54.58 52.43 2pfk n ASN 62 Cb 0.27 -0.19 -0.05 0.00 -2.36 0.00 0.00 39.78 37.44 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 -1.62 4.33 0.76 -3.83 6.06 -0.96 -4.22 118.95 119.47 2pfk s ARG 63 Ca 0.35 0.65 -0.11 0.00 -2.50 0.00 0.00 55.73 54.12 2pfk s ARG 63 Cb 0.20 -3.49 0.05 0.00 0.06 0.00 0.00 34.95 31.77 2pfk s ARG 63 CO 0.29 -0.00 1.10 0.20 -2.50 0.00 0.00 175.30 174.38 2pfk s GLY 64 N 0.87 1.62 0.00 8.12 0.00 -1.25 -4.44 107.32 112.24 2pfk s GLY 64 Ca 0.31 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.76 2pfk s GLY 64 CO 0.13 0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.98 2pfk n GLY 65 N -2.47 -0.47 2.88 0.20 0.00 -1.26 -4.83 105.19 99.24 2pfk n GLY 65 Ca 0.07 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.30 0.10 2.61 -1.32 -1.26 -3.44 115.64 112.02 2pfk s THR 66 Ca 0.00 0.31 0.33 0.00 -1.21 0.00 0.00 61.69 61.13 2pfk s THR 66 Cb 0.00 -0.35 0.39 0.00 -1.51 0.00 0.00 72.50 71.03 2pfk s THR 66 CO 0.00 0.12 1.98 2.19 -2.21 0.00 0.00 174.62 176.70 2pfk h PHE 67 N 8.34 0.00 0.00 9.09 -5.15 -1.95 -2.74 116.94 124.53 2pfk h PHE 67 Ca -0.13 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.53 2pfk h PHE 67 Cb 1.12 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.27 2pfk h PHE 67 CO 0.40 0.00 -0.91 -0.07 -2.00 0.00 0.00 178.31 175.73 2pfk h LEU 68 N 0.00 0.00 0.00 2.10 3.38 -1.96 -3.51 115.31 115.32 2pfk h LEU 68 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pfk h LEU 68 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2pfk h LEU 68 CO 0.00 0.43 0.00 0.61 0.09 0.00 0.00 178.44 179.57 2pfk n GLY 69 N 1.28 -0.51 3.08 0.83 0.00 -1.04 -1.78 105.19 107.05 2pfk n GLY 69 Ca -0.03 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.68 0.07 0.33 1.61 0.15 -1.26 -3.54 113.70 108.37 2pfk s SER 70 Ca 0.00 -0.27 -0.01 0.00 0.70 0.00 0.00 55.95 56.36 2pfk s SER 70 Cb 0.00 0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.50 2pfk s SER 70 CO 0.00 -0.36 0.45 0.00 1.20 0.00 0.00 173.24 174.52 2pfk n ALA 71 N 1.45 -0.27 -3.96 5.45 0.00 -1.23 -4.81 120.51 117.15 2pfk n ALA 71 Ca -0.23 -1.52 -0.33 0.00 0.00 0.00 0.00 53.44 51.36 2pfk n ALA 71 Cb 0.55 1.23 -0.16 0.00 0.00 0.00 0.00 19.45 21.07 2pfk n ALA 71 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2pfk s ARG 72 N -2.77 3.05 -0.46 0.00 3.00 -1.26 -4.02 118.95 116.49 2pfk s ARG 72 Ca 0.27 -0.80 0.07 0.00 0.00 0.00 0.00 55.73 55.27 2pfk s ARG 72 Cb -0.01 -2.61 0.24 0.00 0.00 0.00 0.00 34.95 32.57 2pfk s ARG 72 CO 0.20 -0.17 0.74 0.34 0.00 0.00 0.00 175.30 176.40 2pfk n PHE 73 N 4.55 -2.36 0.30 -0.53 7.35 -1.26 -4.95 117.46 120.56 2pfk n PHE 73 Ca -0.20 -2.35 0.18 0.00 -0.76 0.00 0.00 57.45 54.31 2pfk n PHE 73 Cb 0.50 0.91 0.82 0.00 0.35 0.00 0.00 39.48 42.06 2pfk n PHE 73 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 2pfk h PRO 74 N 4.13 0.00 0.00 -7.13 0.13 -2.02 -2.66 132.00 124.45 2pfk h PRO 74 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2pfk h PRO 74 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2pfk h PRO 74 CO 0.35 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.27 2pfk n GLU 75 N -2.91 0.01 0.00 0.86 0.00 -1.26 -1.53 120.64 115.81 2pfk n GLU 75 Ca -0.00 0.39 0.12 0.00 0.00 0.00 0.00 57.16 57.66 2pfk n GLU 75 Cb 0.20 -1.50 0.61 0.00 0.00 0.00 0.00 31.44 30.75 2pfk n GLU 75 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2pfk n PHE 76 N -1.42 0.00 0.22 -1.84 7.35 -1.00 -2.70 117.46 118.07 2pfk n PHE 76 Ca 0.01 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.81 2pfk n PHE 76 Cb 0.02 -0.27 0.38 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 0.00 0.00 -5.57 -4.13 -0.00 -1.54 -3.43 114.38 99.71 2pfk h ARG 77 Ca 0.00 0.00 -0.60 0.00 -0.50 0.00 0.00 59.98 58.88 2pfk h ARG 77 Cb 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 29.97 30.08 2pfk h ARG 77 CO 0.00 0.17 0.03 0.34 0.00 0.00 0.00 179.97 180.51 2pfk s ASP 78 N -6.13 6.60 0.62 7.04 2.15 -1.10 -4.98 116.67 120.87 2pfk s ASP 78 Ca 0.03 0.72 0.40 0.00 0.43 0.00 0.00 52.55 54.13 2pfk s ASP 78 Cb 0.08 -2.31 1.98 0.00 -0.30 0.00 0.00 42.92 42.38 2pfk s ASP 78 CO 0.64 -0.23 2.21 1.05 -0.17 0.00 0.00 175.17 178.67 2pfk h GLU 79 N 7.52 0.00 0.00 4.34 4.11 -1.88 0.13 114.58 128.80 2pfk h GLU 79 Ca -0.32 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.03 2pfk h GLU 79 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2pfk h GLU 79 CO 0.75 0.00 -0.37 -0.91 0.07 0.00 0.00 179.01 178.55 2pfk h ASN 80 N 0.00 0.00 0.15 3.06 2.35 -1.93 -1.74 115.58 117.46 2pfk h ASN 80 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 2pfk h ASN 80 Cb 0.22 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.62 2pfk h ASN 80 CO 0.00 0.37 -1.11 0.40 -1.65 0.00 0.00 177.43 175.44 2pfk h ILE 81 N 0.00 1.36 -0.52 2.81 2.04 -1.27 -3.24 117.51 118.69 2pfk h ILE 81 Ca -0.00 -2.49 -0.04 0.00 1.00 0.00 0.00 64.86 63.32 2pfk h ILE 81 Cb 1.22 2.91 -0.02 0.00 -0.74 0.00 0.00 36.82 40.19 2pfk h ILE 81 CO 0.05 0.74 0.16 0.03 0.00 0.00 0.00 178.15 179.12 2pfk h ARG 82 N 0.02 0.78 -0.72 2.37 3.08 -1.36 -2.55 114.38 116.00 2pfk h ARG 82 Ca -0.18 -0.14 0.12 0.00 0.07 0.00 0.00 59.98 59.85 2pfk h ARG 82 Cb 1.83 -0.13 -0.08 0.00 0.08 0.00 0.00 29.97 31.67 2pfk h ARG 82 CO 0.21 0.68 0.31 0.00 -1.07 0.00 0.00 179.97 180.10 2pfk h ALA 83 N 1.42 1.00 -0.56 0.04 0.00 -1.34 0.39 119.26 120.22 2pfk h ALA 83 Ca 0.17 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2pfk h ALA 83 Cb 0.23 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2pfk h ALA 83 CO -0.01 -0.14 0.32 0.28 0.00 0.00 0.00 179.25 179.70 2pfk h VAL 84 N 0.50 1.17 -0.45 0.00 2.07 -1.51 -0.72 116.25 117.31 2pfk h VAL 84 Ca 0.38 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.51 2pfk h VAL 84 Cb 0.50 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2pfk h VAL 84 CO -0.34 0.18 0.25 0.00 0.02 0.00 0.00 177.57 177.68 2pfk h ALA 85 N 1.15 0.57 -0.86 1.67 0.00 -0.93 -1.46 119.26 119.40 2pfk h ALA 85 Ca 0.20 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2pfk h ALA 85 Cb 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2pfk h ALA 85 CO -0.04 -0.09 0.44 0.82 0.00 0.00 0.00 179.25 180.39 2pfk h ILE 86 N 0.49 1.26 -0.28 0.00 2.04 -0.87 0.44 117.51 120.58 2pfk h ILE 86 Ca 0.19 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.39 2pfk h ILE 86 Cb 0.06 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 2pfk h ILE 86 CO -0.11 0.30 0.11 -0.33 0.00 0.00 0.00 178.15 178.12 2pfk h GLU 87 N 1.22 0.23 -0.64 2.37 5.08 -0.15 -0.79 114.58 121.90 2pfk h GLU 87 Ca 0.30 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2pfk h GLU 87 Cb 0.07 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2pfk h GLU 87 CO -0.04 0.15 0.38 -0.91 -1.00 0.00 0.00 179.01 177.59 2pfk h ASN 88 N 0.24 0.77 -0.21 1.42 2.35 -0.66 -1.16 115.58 118.32 2pfk h ASN 88 Ca 0.12 -0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2pfk h ASN 88 Cb 0.08 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2pfk h ASN 88 CO -0.12 0.60 0.09 -0.07 -1.65 0.00 0.00 177.43 176.28 2pfk h LEU 89 N 0.86 0.11 -0.52 1.61 3.38 0.60 -2.42 115.31 118.94 2pfk h LEU 89 Ca 0.23 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 2pfk h LEU 89 Cb -0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2pfk h LEU 89 CO -0.04 0.10 0.04 0.11 0.09 0.00 0.00 178.44 178.73 2pfk h LYS 90 N 0.19 0.89 -0.95 1.13 1.57 -0.95 -1.63 116.57 116.82 2pfk h LYS 90 Ca 0.09 -0.26 0.07 0.00 -1.87 0.00 0.00 60.65 58.67 2pfk h LYS 90 Cb 0.04 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.19 2pfk h LYS 90 CO -0.08 0.90 0.60 -0.22 -0.57 0.00 0.00 179.45 180.08 2pfk h LYS 91 N 0.76 1.05 0.00 3.15 3.64 -1.06 -2.52 116.57 121.59 2pfk h LYS 91 Ca 0.15 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2pfk h LYS 91 Cb 0.47 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2pfk h LYS 91 CO 0.02 0.69 -0.14 0.54 -2.27 0.00 0.00 179.45 178.29 2pfk n ARG 92 N -4.56 0.18 -1.55 1.90 5.12 -0.92 -4.95 116.66 111.87 2pfk n ARG 92 Ca 0.15 0.12 -0.03 0.00 -1.93 0.00 0.00 57.85 56.15 2pfk n ARG 92 Cb 0.20 -1.68 -0.01 0.00 -1.16 0.00 0.00 32.46 29.81 2pfk n ARG 92 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2pfk n GLY 93 N 1.38 0.45 3.67 -0.13 0.00 -0.95 -5.02 105.19 104.59 2pfk n GLY 93 Ca 0.06 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.15 4.70 0.01 -0.61 1.01 -0.65 -4.43 121.20 119.08 2pfk s ILE 94 Ca 0.00 2.03 0.09 0.00 0.00 0.00 0.00 60.65 62.77 2pfk s ILE 94 Cb 0.00 -4.31 -0.23 0.00 0.01 0.00 0.00 42.46 37.93 2pfk s ILE 94 CO 0.00 -0.13 0.86 0.44 0.00 0.00 0.00 174.94 176.11 2pfk h ASP 95 N 7.37 0.04 -5.06 3.58 3.32 -0.07 -3.43 116.42 122.18 2pfk h ASP 95 Ca -0.22 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.69 2pfk h ASP 95 Cb 1.08 -0.01 -0.15 0.00 0.22 0.00 0.00 39.33 40.47 2pfk h ASP 95 CO 0.95 1.06 -0.07 0.00 -1.72 0.00 0.00 179.24 179.46 2pfk s ALA 96 N -2.63 -1.00 0.07 3.45 0.00 -1.18 -3.84 121.76 116.63 2pfk s ALA 96 Ca -0.04 0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.15 2pfk s ALA 96 Cb 0.08 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 2pfk s ALA 96 CO 0.82 -0.56 -0.21 -0.51 0.00 0.00 0.00 175.76 175.30 2pfk s LEU 97 N -2.42 2.23 -0.24 0.00 1.02 -0.64 -0.50 118.68 118.13 2pfk s LEU 97 Ca -0.01 -0.61 -0.01 0.00 0.02 0.00 0.00 54.13 53.52 2pfk s LEU 97 Cb 0.01 -0.95 0.02 0.00 0.02 0.00 0.00 46.19 45.29 2pfk s LEU 97 CO -0.07 0.12 -0.08 -0.69 0.02 0.00 0.00 176.35 175.64 2pfk s VAL 98 N -0.98 2.78 -0.21 -1.59 1.01 0.48 -1.28 120.40 120.61 2pfk s VAL 98 Ca 0.07 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 2pfk s VAL 98 Cb -0.09 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2pfk s VAL 98 CO 0.03 0.24 0.08 -0.69 0.00 0.00 0.00 175.10 174.76 2pfk s VAL 99 N 1.32 4.75 -0.22 2.92 1.01 0.62 -2.00 120.40 128.79 2pfk s VAL 99 Ca 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 2pfk s VAL 99 Cb -0.16 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2pfk s VAL 99 CO -0.05 0.41 -0.07 -0.63 0.00 0.00 0.00 175.10 174.75 2pfk s ILE 100 N 0.82 3.08 -3.21 2.22 1.01 0.86 0.12 121.20 126.10 2pfk s ILE 100 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.04 2pfk s ILE 100 Cb -0.13 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.92 2pfk s ILE 100 CO 0.02 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.97 2pfk n GLY 101 N 4.75 -0.64 2.58 6.18 0.00 -0.25 0.05 105.19 117.86 2pfk n GLY 101 Ca -0.18 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.85 0.14 -0.02 0.00 -1.14 -1.68 105.19 99.64 2pfk n GLY 102 Ca 0.00 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 44.69 2pfk n GLY 102 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2pfk h ASP 103 N -2.42 0.00 -0.11 1.61 -0.00 -1.93 -2.90 116.42 110.67 2pfk h ASP 103 Ca -0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 56.72 2pfk h ASP 103 Cb 0.94 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.27 2pfk h ASP 103 CO 0.20 0.00 0.06 1.23 -0.00 0.00 0.00 179.24 180.73 2pfk h GLY 104 N 4.33 0.16 2.00 7.15 0.00 -1.95 -2.86 103.07 111.90 2pfk h GLY 104 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2pfk h GLY 104 CO 0.00 0.07 -0.07 1.48 0.00 0.00 0.00 176.54 178.02 2pfk h SER 105 N 0.09 0.00 0.53 0.19 4.64 -1.81 -3.16 113.55 114.04 2pfk h SER 105 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2pfk h SER 105 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2pfk h SER 105 CO -0.01 0.07 0.00 1.88 -0.87 0.00 0.00 176.83 177.90 2pfk h TYR 106 N 0.00 0.00 -0.14 4.77 -1.99 -1.56 -3.03 116.97 115.02 2pfk h TYR 106 Ca -0.00 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.62 2pfk h TYR 106 Cb 0.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.87 2pfk h TYR 106 CO 0.00 0.00 -0.36 0.52 -0.00 0.00 0.00 178.16 178.32 2pfk h MET 107 N 0.00 0.48 -0.91 4.88 2.86 -1.69 -2.68 114.93 117.88 2pfk h MET 107 Ca 0.00 -0.34 0.05 0.00 -2.06 0.00 0.00 59.70 57.35 2pfk h MET 107 Cb 0.27 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 2pfk h MET 107 CO 0.00 0.96 0.59 0.78 1.06 0.00 0.00 176.91 180.30 2pfk h GLY 108 N 0.09 1.31 2.00 8.32 0.00 -1.74 -0.52 103.07 112.53 2pfk h GLY 108 Ca -0.01 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 2pfk h GLY 108 CO 0.08 0.36 -0.39 0.00 0.00 0.00 0.00 176.54 176.59 2pfk h ALA 109 N 1.48 0.78 0.57 3.60 0.00 -1.57 -2.34 119.26 121.80 2pfk h ALA 109 Ca 0.37 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2pfk h ALA 109 Cb 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2pfk h ALA 109 CO -0.12 0.48 -0.28 1.98 0.00 0.00 0.00 179.25 181.32 2pfk h MET 110 N 0.00 -0.74 -0.01 0.00 4.05 -0.87 -2.29 114.93 115.06 2pfk h MET 110 Ca -0.00 0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.48 2pfk h MET 110 Cb 1.21 0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 32.14 2pfk h MET 110 CO 0.05 -0.44 -0.38 0.00 0.23 0.00 0.00 176.91 176.37 2pfk h ARG 111 N -1.08 -0.45 -0.22 0.39 2.47 -1.16 -1.72 114.38 112.61 2pfk h ARG 111 Ca -0.08 0.03 0.06 0.00 -1.26 0.00 0.00 59.98 58.73 2pfk h ARG 111 Cb 0.65 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.06 2pfk h ARG 111 CO 0.13 -0.30 0.23 -0.07 0.56 0.00 0.00 179.97 180.52 2pfk h LEU 112 N -0.47 0.00 -0.12 3.04 3.38 -1.51 -0.47 115.31 119.16 2pfk h LEU 112 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2pfk h LEU 112 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2pfk h LEU 112 CO -0.26 0.00 -0.17 0.74 0.09 0.00 0.00 178.44 178.84 2pfk h THR 113 N 0.00 1.37 -0.76 0.22 2.02 -0.72 0.13 112.91 115.18 2pfk h THR 113 Ca 0.10 -1.39 -0.04 0.00 0.77 0.00 0.00 66.41 65.85 2pfk h THR 113 Cb 0.56 2.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.94 2pfk h THR 113 CO -0.00 0.40 0.30 -0.33 0.37 0.00 0.00 175.52 176.26 2pfk h GLU 114 N -0.09 1.12 -0.01 6.66 5.08 -0.78 -1.82 114.58 124.75 2pfk h GLU 114 Ca 0.01 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2pfk h GLU 114 Cb 0.72 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2pfk h GLU 114 CO 0.04 0.91 0.00 -1.33 -1.00 0.00 0.00 179.01 177.63 2pfk n MET 115 N -4.28 0.90 -0.24 2.33 2.81 -0.28 -4.85 117.12 113.49 2pfk n MET 115 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 2pfk n MET 115 Cb 0.18 -1.00 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 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 0.39 0.87 2.95 3.03 0.00 -0.69 -5.03 105.19 106.72 2pfk n GLY 116 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 3.04 0.02 1.61 0.40 0.46 -4.99 117.98 116.52 2pfk s PHE 117 Ca 0.00 -2.45 -0.30 0.00 -0.60 0.00 0.00 56.93 53.58 2pfk s PHE 117 Cb 0.00 -2.33 -0.09 0.00 0.51 0.00 0.00 43.02 41.11 2pfk s PHE 117 CO 0.00 -0.90 1.98 -0.35 0.70 0.00 0.00 175.22 176.66 2pfk n PRO 118 N 4.47 2.81 -4.95 0.24 -0.04 -1.25 -2.70 135.00 133.57 2pfk n PRO 118 Ca -0.02 1.02 -0.32 0.00 -0.04 0.00 0.00 63.50 64.14 2pfk n PRO 118 Cb 0.42 -3.00 -0.15 0.00 -0.04 0.00 0.00 33.50 30.73 2pfk n PRO 118 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pfk s ILE 120 N -0.00 3.08 -0.21 0.00 -1.09 -0.40 -0.87 121.20 121.71 2pfk s ILE 120 Ca -0.05 -0.65 -0.09 0.00 -2.23 0.00 0.00 60.65 57.62 2pfk s ILE 120 Cb -0.15 -2.30 -0.05 0.00 -1.58 0.00 0.00 42.46 38.39 2pfk s ILE 120 CO 0.05 0.52 0.11 -0.83 -1.23 0.00 0.00 174.94 173.56 2pfk s GLY 121 N 0.38 1.96 -0.18 6.18 0.00 0.13 -0.28 107.32 115.50 2pfk s GLY 121 Ca -0.10 -0.81 -0.05 0.00 0.00 0.00 0.00 44.72 43.76 2pfk s GLY 121 CO 0.05 0.22 0.01 1.08 0.00 0.00 0.00 173.10 174.47 2pfk s LEU 122 N 0.68 3.44 -0.66 0.66 1.43 0.12 -1.12 118.68 123.23 2pfk s LEU 122 Ca 0.06 -0.09 -0.27 0.00 -1.03 0.00 0.00 54.13 52.80 2pfk s LEU 122 Cb -0.13 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.24 2pfk s LEU 122 CO 0.01 0.13 1.58 -2.16 0.23 0.00 0.00 176.35 176.14 2pfk s PRO 123 N 0.64 2.93 -0.35 1.29 0.04 -1.26 -1.09 135.00 137.19 2pfk s PRO 123 Ca 0.00 0.25 0.03 0.00 0.04 0.00 0.00 61.00 61.32 2pfk s PRO 123 Cb -0.14 -4.28 0.10 0.00 0.04 0.00 0.00 34.50 30.23 2pfk s PRO 123 CO 0.02 -2.41 0.09 0.20 0.04 0.00 0.00 177.00 174.94 2pfk s GLY 124 N 5.95 1.76 -0.13 0.56 0.00 -0.68 -0.94 107.32 113.85 2pfk s GLY 124 Ca 0.53 -2.40 -0.29 0.00 0.00 0.00 0.00 44.72 42.56 2pfk s GLY 124 CO 0.19 1.14 0.76 -1.08 0.00 0.00 0.00 173.10 174.11 2pfk s THR 125 N 0.94 0.00 -0.20 0.90 -1.32 0.24 -3.35 115.64 112.85 2pfk s THR 125 Ca 0.12 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.81 2pfk s THR 125 Cb -0.19 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.03 2pfk s THR 125 CO -0.11 0.00 1.62 0.16 -2.21 0.00 0.00 174.62 174.08 2pfk h ILE 126 N 3.20 0.39 -0.00 5.08 3.07 -1.83 -3.22 117.51 124.20 2pfk h ILE 126 Ca -0.26 -1.40 0.00 0.00 1.55 0.00 0.00 64.86 64.75 2pfk h ILE 126 Cb 1.15 2.07 0.00 0.00 -0.27 0.00 0.00 36.82 39.77 2pfk h ILE 126 CO 0.28 0.21 -0.09 -0.90 -1.05 0.00 0.00 178.15 176.60 2pfk n ASP 127 N -3.19 0.31 -0.39 2.16 3.85 -1.26 -4.02 116.55 114.01 2pfk n ASP 127 Ca 0.02 -0.40 -0.05 0.00 -0.71 0.00 0.00 54.79 53.65 2pfk n ASP 127 Cb 0.57 -0.14 -0.02 0.00 -1.35 0.00 0.00 41.12 40.18 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 -1.09 -5.44 -3.65 -1.12 5.15 -1.26 -4.63 115.26 103.22 2pfk n ASN 128 Ca 0.14 0.13 -0.41 0.00 -0.60 0.00 0.00 54.58 53.83 2pfk n ASN 128 Cb 0.27 -3.40 0.00 0.00 -0.53 0.00 0.00 39.78 36.13 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 -0.86 6.92 -3.70 1.20 2.03 -1.26 -4.73 116.55 116.14 2pfk n ASP 129 Ca -0.05 -3.18 -0.13 0.00 0.52 0.00 0.00 54.79 51.95 2pfk n ASP 129 Cb 0.47 -1.38 -0.13 0.00 -0.72 0.00 0.00 41.12 39.35 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 -0.90 -0.21 0.43 5.18 1.01 -1.26 -4.79 121.20 120.65 2pfk s ILE 130 Ca 0.47 0.22 -0.23 0.00 0.00 0.00 0.00 60.65 61.10 2pfk s ILE 130 Cb 0.15 -0.40 -0.08 0.00 0.01 0.00 0.00 42.46 42.14 2pfk s ILE 130 CO -0.05 0.09 1.11 -0.54 0.00 0.00 0.00 174.94 175.55 2pfk s LYS 131 N 1.82 3.97 0.00 2.79 1.02 -1.26 -3.92 119.74 124.15 2pfk s LYS 131 Ca -0.04 1.65 0.00 0.00 0.02 0.00 0.00 55.97 57.60 2pfk s LYS 131 Cb -0.11 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 2pfk s LYS 131 CO -0.08 -0.34 0.00 0.41 -0.92 0.00 0.00 175.35 174.41 2pfk n GLY 132 N 0.39 0.71 2.99 -3.33 0.00 -1.26 -4.92 105.19 99.77 2pfk n GLY 132 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.51 0.00 0.08 2.61 -1.32 -1.25 -4.38 115.64 108.87 2pfk s THR 133 Ca 0.00 -0.02 -0.32 0.00 -1.21 0.00 0.00 61.69 60.14 2pfk s THR 133 Cb 0.00 -0.17 -0.17 0.00 -1.51 0.00 0.00 72.50 70.65 2pfk s THR 133 CO 0.00 -0.01 1.63 0.44 -2.21 0.00 0.00 174.62 174.46 2pfk h ASP 134 N 5.92 -0.80 -4.30 8.08 3.32 -0.80 -3.45 116.42 124.40 2pfk h ASP 134 Ca -0.25 0.04 -0.50 0.00 0.02 0.00 0.00 57.03 56.35 2pfk h ASP 134 Cb 1.20 0.23 -0.25 0.00 0.22 0.00 0.00 39.33 40.73 2pfk h ASP 134 CO 0.44 -0.51 -0.81 -0.31 -1.72 0.00 0.00 179.24 176.33 2pfk s TYR 135 N -6.04 1.45 0.26 4.55 2.02 -1.26 -5.06 117.35 113.26 2pfk s TYR 135 Ca -0.17 -0.36 0.06 0.00 -0.37 0.00 0.00 57.07 56.23 2pfk s TYR 135 Cb 0.04 -0.86 -0.03 0.00 -0.40 0.00 0.00 41.96 40.72 2pfk s TYR 135 CO 0.63 0.06 0.35 0.95 -1.57 0.00 0.00 175.55 175.96 2pfk s THR 136 N -0.82 4.86 0.02 -0.71 -4.23 -1.26 -4.73 115.64 108.76 2pfk s THR 136 Ca 0.04 -1.07 -0.30 0.00 -1.18 0.00 0.00 61.69 59.17 2pfk s THR 136 Cb -0.08 -3.68 -0.06 0.00 1.34 0.00 0.00 72.50 70.02 2pfk s THR 136 CO 0.01 -0.30 1.36 -0.63 -0.54 0.00 0.00 174.62 174.53 2pfk s ILE 137 N -2.05 3.73 0.00 2.99 1.01 -0.12 -2.84 121.20 123.92 2pfk s ILE 137 Ca 0.36 1.15 0.00 0.00 0.00 0.00 0.00 60.65 62.16 2pfk s ILE 137 Cb -0.09 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2pfk s ILE 137 CO 0.29 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.86 2pfk n GLY 138 N 3.55 1.91 0.36 6.18 0.00 -1.16 -0.59 105.19 115.43 2pfk n GLY 138 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.00 -0.33 1.61 3.04 -1.53 -2.09 116.94 116.64 2pfk h PHE 139 Ca 0.00 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.99 2pfk h PHE 139 Cb 0.00 0.45 -0.02 0.00 2.56 0.00 0.00 35.95 38.94 2pfk h PHE 139 CO 0.00 -0.44 0.22 0.74 -2.02 0.00 0.00 178.31 176.80 2pfk h PHE 140 N -0.50 0.40 -0.21 0.41 0.04 -1.89 -1.74 116.94 113.46 2pfk h PHE 140 Ca 0.06 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.73 2pfk h PHE 140 Cb 0.60 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.61 2pfk h PHE 140 CO -0.39 0.25 -0.31 1.15 -0.60 0.00 0.00 178.31 178.41 2pfk h THR 141 N 0.43 1.33 -0.37 -1.55 2.02 -1.85 -2.85 112.91 110.08 2pfk h THR 141 Ca 0.12 -1.52 -0.05 0.00 0.77 0.00 0.00 66.41 65.73 2pfk h THR 141 Cb -0.04 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 2pfk h THR 141 CO -0.03 0.47 0.02 0.00 0.37 0.00 0.00 175.52 176.35 2pfk h ALA 142 N 0.63 1.35 -0.54 6.16 0.00 -1.04 -2.05 119.26 123.76 2pfk h ALA 142 Ca 0.02 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2pfk h ALA 142 Cb 0.90 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2pfk h ALA 142 CO 0.07 0.45 0.34 1.25 0.00 0.00 0.00 179.25 181.36 2pfk h LEU 143 N 0.55 0.57 -0.27 0.00 5.85 -1.24 -0.55 115.31 120.20 2pfk h LEU 143 Ca 0.12 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 2pfk h LEU 143 Cb 0.32 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2pfk h LEU 143 CO 0.01 0.40 -0.01 0.28 -0.34 0.00 0.00 178.44 178.78 2pfk h SER 144 N 0.68 0.48 -0.25 1.25 0.02 -1.26 -1.08 113.55 113.40 2pfk h SER 144 Ca 0.21 -0.32 0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2pfk h SER 144 Cb -0.02 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 2pfk h SER 144 CO -0.07 0.68 0.04 0.74 -1.14 0.00 0.00 176.83 177.08 2pfk h THR 145 N 0.27 0.87 -0.07 -2.27 2.02 -0.97 -1.22 112.91 111.53 2pfk h THR 145 Ca 0.08 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 2pfk h THR 145 Cb 0.44 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2pfk h THR 145 CO 0.02 0.02 0.02 0.58 0.37 0.00 0.00 175.52 176.53 2pfk h VAL 146 N 0.12 1.19 -0.80 3.16 2.07 -1.07 -2.75 116.25 118.17 2pfk h VAL 146 Ca 0.11 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 2pfk h VAL 146 Cb 0.12 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2pfk h VAL 146 CO -0.16 0.16 0.32 0.58 0.02 0.00 0.00 177.57 178.49 2pfk h VAL 147 N -0.10 1.26 -0.88 2.57 2.07 -1.06 -0.46 116.25 119.65 2pfk h VAL 147 Ca 0.02 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 2pfk h VAL 147 Cb 0.24 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2pfk h VAL 147 CO 0.00 0.33 0.45 -0.08 0.02 0.00 0.00 177.57 178.30 2pfk h GLU 148 N 1.16 1.24 -0.41 1.57 4.81 -1.24 0.12 114.58 121.83 2pfk h GLU 148 Ca 0.27 -0.16 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 2pfk h GLU 148 Cb 0.21 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2pfk h GLU 148 CO -0.02 0.93 -0.27 0.00 -0.73 0.00 0.00 179.01 178.91 2pfk h ALA 149 N 1.25 0.75 -0.11 2.92 0.00 -1.19 -2.68 119.26 120.19 2pfk h ALA 149 Ca 0.31 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2pfk h ALA 149 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2pfk h ALA 149 CO -0.04 0.66 -0.38 0.82 0.00 0.00 0.00 179.25 180.30 2pfk h ILE 150 N 0.74 1.30 -0.39 0.00 2.04 -0.44 -2.04 117.51 118.72 2pfk h ILE 150 Ca 0.09 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.48 2pfk h ILE 150 Cb 0.82 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2pfk h ILE 150 CO 0.07 0.43 0.15 0.44 0.00 0.00 0.00 178.15 179.24 2pfk h ASP 151 N 0.20 0.54 -0.77 1.72 3.32 -0.72 -0.69 116.42 120.02 2pfk h ASP 151 Ca 0.02 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 2pfk h ASP 151 Cb 0.77 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 2pfk h ASP 151 CO 0.06 0.57 0.37 0.03 -1.72 0.00 0.00 179.24 178.55 2pfk h ARG 152 N 0.48 1.12 -0.43 3.56 3.08 -1.18 -2.94 114.38 118.07 2pfk h ARG 152 Ca 0.13 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 2pfk h ARG 152 Cb 0.20 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2pfk h ARG 152 CO -0.01 0.87 -0.24 -0.07 -1.07 0.00 0.00 179.97 179.45 2pfk h LEU 153 N 1.09 0.91 -0.49 3.04 3.38 -1.26 -3.07 115.31 118.91 2pfk h LEU 153 Ca 0.27 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2pfk h LEU 153 Cb 0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2pfk h LEU 153 CO -0.03 1.10 0.28 -0.09 0.09 0.00 0.00 178.44 179.78 2pfk h ARG 154 N 0.76 0.67 0.06 1.13 9.65 -0.97 0.11 114.38 125.79 2pfk h ARG 154 Ca 0.10 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 58.92 2pfk h ARG 154 Cb 0.79 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 29.19 2pfk h ARG 154 CO 0.07 0.51 -0.49 -0.44 2.80 0.00 0.00 179.97 182.42 2pfk h ASP 155 N 0.65 -1.50 -0.19 -3.80 5.19 -1.43 -2.04 116.42 113.30 2pfk h ASP 155 Ca 0.17 0.16 -0.09 0.00 -0.62 0.00 0.00 57.03 56.66 2pfk h ASP 155 Cb 0.03 0.56 -0.00 0.00 0.18 0.00 0.00 39.33 40.10 2pfk h ASP 155 CO -0.03 -0.50 -0.23 0.00 -3.12 0.00 0.00 179.24 175.36 2pfk h THR 156 N -0.66 1.33 -0.64 0.35 1.03 -1.50 -2.50 112.91 110.32 2pfk h THR 156 Ca 0.00 -1.42 0.11 0.00 -0.01 0.00 0.00 66.41 65.10 2pfk h THR 156 Cb 0.68 1.81 -0.08 0.00 -1.07 0.00 0.00 68.15 69.49 2pfk h THR 156 CO -0.30 0.43 0.22 0.28 -0.01 0.00 0.00 175.52 176.14 2pfk h SER 157 N 0.16 0.17 0.65 0.00 0.02 -0.77 -2.63 113.55 111.15 2pfk h SER 157 Ca 0.03 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2pfk h SER 157 Cb 0.79 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 2pfk h SER 157 CO 0.06 0.09 -0.45 0.28 -1.14 0.00 0.00 176.83 175.66 2pfk h SER 158 N 0.37 -1.16 -0.80 3.07 0.02 -1.37 0.16 113.55 113.84 2pfk h SER 158 Ca 0.34 0.07 0.18 0.00 -0.84 0.00 0.00 61.79 61.54 2pfk h SER 158 Cb 0.47 0.35 -0.14 0.00 0.14 0.00 0.00 62.40 63.21 2pfk h SER 158 CO -0.36 -0.67 -0.04 0.28 -1.14 0.00 0.00 176.83 174.90 2pfk h SER 159 N -1.05 -0.47 0.14 3.07 0.02 -1.23 -2.07 113.55 111.97 2pfk h SER 159 Ca -0.09 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2pfk h SER 159 Cb 0.86 0.40 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2pfk h SER 159 CO 0.06 -0.22 -0.46 1.41 -1.14 0.00 0.00 176.83 176.47 2pfk n HIS 160 N -5.41 0.00 -3.64 3.45 8.25 -1.01 -5.01 115.22 111.85 2pfk n HIS 160 Ca 0.14 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.39 2pfk n HIS 160 Cb 0.49 -0.08 0.05 0.00 1.12 0.00 0.00 29.99 31.58 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 -0.62 -5.87 -3.98 -0.41 6.02 0.41 -5.01 117.38 107.92 2pfk n GLN 161 Ca 0.09 0.71 -0.22 0.00 -0.01 0.00 0.00 57.00 57.58 2pfk n GLN 161 Cb 0.39 -5.51 -0.04 0.00 1.02 0.00 0.00 30.24 26.10 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 -5.92 2.74 -0.19 -1.09 0.52 -0.39 -4.70 118.95 109.92 2pfk s ARG 162 Ca 0.16 -1.24 -0.07 0.00 -0.52 0.00 0.00 55.73 54.06 2pfk s ARG 162 Cb -0.08 -2.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.89 2pfk s ARG 162 CO 0.78 0.23 0.06 0.42 0.02 0.00 0.00 175.30 176.80 2pfk s ILE 163 N -2.25 4.65 -0.11 1.52 1.01 0.42 -2.71 121.20 123.72 2pfk s ILE 163 Ca 0.37 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.95 2pfk s ILE 163 Cb -0.06 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 2pfk s ILE 163 CO 0.25 0.44 -0.13 -0.55 0.00 0.00 0.00 174.94 174.95 2pfk s SER 164 N 0.59 4.01 -0.24 3.58 0.15 0.11 -1.78 113.70 120.12 2pfk s SER 164 Ca 0.03 -0.30 -0.03 0.00 0.70 0.00 0.00 55.95 56.34 2pfk s SER 164 Cb -0.13 -1.46 0.01 0.00 -1.71 0.00 0.00 66.02 62.73 2pfk s SER 164 CO 0.01 0.20 -0.04 -0.69 1.20 0.00 0.00 173.24 173.93 2pfk s VAL 165 N 0.13 3.24 -0.20 4.45 1.01 0.24 -0.42 120.40 128.84 2pfk s VAL 165 Ca -0.06 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 2pfk s VAL 165 Cb -0.15 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 2pfk s VAL 165 CO 0.05 0.29 -0.06 -0.69 0.00 0.00 0.00 175.10 174.68 2pfk s VAL 166 N 1.42 3.27 -0.18 2.92 1.01 -0.16 0.15 120.40 128.83 2pfk s VAL 166 Ca 0.03 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 2pfk s VAL 166 Cb -0.15 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 2pfk s VAL 166 CO -0.03 0.45 0.42 -0.70 0.00 0.00 0.00 175.10 175.23 2pfk s GLU 167 N 1.26 4.22 0.13 2.72 2.12 -0.04 0.19 118.70 129.29 2pfk s GLU 167 Ca 0.03 0.27 0.07 0.00 0.36 0.00 0.00 54.97 55.70 2pfk s GLU 167 Cb -0.14 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 2pfk s GLU 167 CO -0.02 0.02 -0.04 0.08 -0.54 0.00 0.00 175.26 174.75 2pfk s VAL 168 N 1.13 3.62 0.94 3.70 1.01 0.31 -3.31 120.40 127.79 2pfk s VAL 168 Ca 0.21 -1.30 -0.15 0.00 0.00 0.00 0.00 61.98 60.73 2pfk s VAL 168 Cb -0.15 -2.75 0.18 0.00 0.00 0.00 0.00 36.38 33.66 2pfk s VAL 168 CO 0.08 0.01 1.29 -0.04 0.00 0.00 0.00 175.10 176.45 2pfk s MET 169 N -2.56 0.87 0.00 2.72 -1.94 -1.26 -0.01 119.30 117.13 2pfk s MET 169 Ca 0.25 -0.31 0.00 0.00 -1.71 0.00 0.00 55.69 53.92 2pfk s MET 169 Cb -0.10 -1.86 0.00 0.00 2.01 0.00 0.00 34.83 34.87 2pfk s MET 169 CO 0.17 -2.27 0.00 0.41 -0.01 0.00 0.00 175.02 173.31 2pfk n GLY 170 N -3.66 0.88 0.43 -0.03 0.00 -1.26 -4.47 105.19 97.08 2pfk n GLY 170 Ca 0.14 -0.81 0.38 0.00 0.00 0.00 0.00 46.02 45.73 2pfk n GLY 170 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2pfk n ARG 171 N 0.00 -0.04 0.00 1.61 1.85 -1.26 -1.15 116.66 117.67 2pfk n ARG 171 Ca 0.00 1.23 0.07 0.00 -1.00 0.00 0.00 57.85 58.16 2pfk n ARG 171 Cb 0.00 -2.40 -0.02 0.00 -1.05 0.00 0.00 32.46 28.99 2pfk n ARG 171 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2pfk n TYR 172 N -4.74 0.00 -4.11 2.89 4.02 -1.26 -4.87 117.16 109.09 2pfk n TYR 172 Ca 0.39 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 58.01 2pfk n TYR 172 Cb 1.48 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 40.63 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 4.61 -1.16 0.29 0.00 0.00 -1.26 -4.30 105.19 103.37 2pfk n GLY 174 Ca -0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 -0.80 -0.28 1.61 3.32 -1.92 0.39 116.42 118.74 2pfk h ASP 175 Ca 0.00 0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 2pfk h ASP 175 Cb 0.21 0.47 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 2pfk h ASP 175 CO 0.00 -0.25 0.15 0.25 -1.72 0.00 0.00 179.24 177.66 2pfk h LEU 176 N -0.05 0.35 -0.05 1.55 5.85 -1.82 -1.28 115.31 119.86 2pfk h LEU 176 Ca 0.30 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 2pfk h LEU 176 Cb 0.52 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2pfk h LEU 176 CO -0.70 0.35 0.02 0.74 -0.34 0.00 0.00 178.44 178.52 2pfk h THR 177 N 0.33 1.10 0.52 1.05 2.02 -1.54 -1.80 112.91 114.58 2pfk h THR 177 Ca 0.10 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 2pfk h THR 177 Cb 0.08 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2pfk h THR 177 CO -0.01 0.08 -0.35 0.25 0.37 0.00 0.00 175.52 175.85 2pfk h LEU 178 N -0.03 -0.90 -0.66 2.58 5.85 -0.90 0.35 115.31 121.60 2pfk h LEU 178 Ca 0.02 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.90 2pfk h LEU 178 Cb 0.11 0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 2pfk h LEU 178 CO -0.00 -0.54 0.27 0.00 -0.34 0.00 0.00 178.44 177.83 2pfk h ALA 179 N -0.46 0.89 -0.34 1.25 0.00 -1.30 -1.02 119.26 118.27 2pfk h ALA 179 Ca -0.06 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2pfk h ALA 179 Cb 0.70 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2pfk h ALA 179 CO 0.04 -0.16 0.14 0.00 0.00 0.00 0.00 179.25 179.27 2pfk h ALA 180 N 1.45 0.44 -0.00 0.00 0.00 -1.17 -0.23 119.26 119.76 2pfk h ALA 180 Ca 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2pfk h ALA 180 Cb 0.43 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2pfk h ALA 180 CO -0.32 0.04 0.00 0.00 0.00 0.00 0.00 179.25 178.97 2pfk h ALA 181 N 0.99 0.00 -0.36 0.00 0.00 0.91 0.25 119.26 121.05 2pfk h ALA 181 Ca 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2pfk h ALA 181 Cb 0.17 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2pfk h ALA 181 CO -0.01 -0.49 0.22 0.82 0.00 0.00 0.00 179.25 179.79 2pfk h ILE 182 N -0.00 1.12 -0.35 0.00 2.04 -1.22 -0.58 117.51 118.52 2pfk h ILE 182 Ca 0.00 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.49 2pfk h ILE 182 Cb 0.01 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2pfk h ILE 182 CO -0.00 0.12 -0.21 0.00 0.00 0.00 0.00 178.15 178.06 2pfk h ALA 183 N 1.10 0.99 0.00 1.87 0.00 -0.87 -3.10 119.26 119.25 2pfk h ALA 183 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2pfk h ALA 183 Cb -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2pfk h ALA 183 CO -0.02 0.60 -0.11 0.41 0.00 0.00 0.00 179.25 180.12 2pfk n GLY 184 N -0.34 -1.59 2.39 0.00 0.00 0.06 -4.94 105.19 100.77 2pfk n GLY 184 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 1.38 0.21 3.70 -0.02 0.00 -0.56 -4.93 105.19 104.97 2pfk n GLY 185 Ca 0.06 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 7.04 0.88 -5.65 0.00 3.07 -1.87 -3.44 114.58 114.60 2pfk h GLU 187 Ca -0.38 -0.24 -0.55 0.00 -0.50 0.00 0.00 59.36 57.70 2pfk h GLU 187 Cb 1.19 -0.10 -0.30 0.00 -0.84 0.00 0.00 28.75 28.70 2pfk h GLU 187 CO 0.82 0.86 -0.84 -0.06 -1.40 0.00 0.00 179.01 178.39 2pfk s PHE 188 N -5.04 1.60 -0.01 4.33 0.08 -1.16 -5.08 117.98 112.71 2pfk s PHE 188 Ca -0.10 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 56.63 2pfk s PHE 188 Cb 0.15 -1.04 0.01 0.00 -0.57 0.00 0.00 43.02 41.57 2pfk s PHE 188 CO 0.82 -0.04 -0.00 0.54 -0.10 0.00 0.00 175.22 176.44 2pfk s VAL 189 N -0.37 0.08 -0.24 -0.44 0.11 -1.26 -1.10 120.40 117.18 2pfk s VAL 189 Ca 0.06 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 2pfk s VAL 189 Cb -0.07 -0.12 0.05 0.00 -1.53 0.00 0.00 36.38 34.71 2pfk s VAL 189 CO -0.00 0.06 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.03 2pfk s VAL 190 N 0.34 1.95 0.19 2.04 1.01 -0.06 -4.98 120.40 120.89 2pfk s VAL 190 Ca -0.03 -1.41 0.08 0.00 0.00 0.00 0.00 61.98 60.63 2pfk s VAL 190 Cb -0.05 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2pfk s VAL 190 CO -0.01 0.02 -0.17 0.68 0.00 0.00 0.00 175.10 175.63 2pfk s VAL 191 N 1.22 1.85 0.44 2.92 -7.23 -1.26 -1.12 120.40 117.21 2pfk s VAL 191 Ca -0.06 -2.09 0.13 0.00 -1.81 0.00 0.00 61.98 58.15 2pfk s VAL 191 Cb -0.19 -1.97 0.32 0.00 0.56 0.00 0.00 36.38 35.10 2pfk s VAL 191 CO -0.06 -0.45 1.99 -0.65 -0.31 0.00 0.00 175.10 175.62 2pfk h PRO 192 N 2.86 0.40 0.00 4.82 0.11 -1.92 -3.08 132.00 135.18 2pfk h PRO 192 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2pfk h PRO 192 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2pfk h PRO 192 CO 0.57 0.26 0.00 0.39 -0.21 0.00 0.00 178.00 179.01 2pfk n GLU 193 N -4.47 0.04 -4.88 1.05 4.71 -1.26 -4.75 120.64 111.08 2pfk n GLU 193 Ca 0.09 0.14 -0.26 0.00 -0.01 0.00 0.00 57.16 57.12 2pfk n GLU 193 Cb 0.35 -1.50 -0.16 0.00 -1.01 0.00 0.00 31.44 29.12 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 -2.94 1.46 0.09 2.62 1.01 -1.17 -5.10 120.40 116.38 2pfk s VAL 194 Ca 0.11 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 61.02 2pfk s VAL 194 Cb 0.13 -1.24 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 2pfk s VAL 194 CO 0.36 0.42 1.77 -1.61 0.00 0.00 0.00 175.10 176.03 2pfk s GLU 195 N -0.21 4.16 -0.20 2.72 0.41 -1.26 -4.77 118.70 119.55 2pfk s GLU 195 Ca 0.02 2.47 -0.03 0.00 -0.41 0.00 0.00 54.97 57.02 2pfk s GLU 195 Cb -0.09 -3.67 -0.01 0.00 -1.78 0.00 0.00 34.13 28.58 2pfk s GLU 195 CO 0.01 -0.81 -0.06 0.12 -0.49 0.00 0.00 175.26 174.03 2pfk s PHE 196 N 2.93 2.94 -0.17 1.61 2.19 -1.26 -5.08 117.98 121.13 2pfk s PHE 196 Ca 0.79 -0.88 0.01 0.00 0.33 0.00 0.00 56.93 57.18 2pfk s PHE 196 Cb -0.43 -2.05 0.02 0.00 -1.31 0.00 0.00 43.02 39.25 2pfk s PHE 196 CO 0.35 -0.47 -0.21 0.45 1.83 0.00 0.00 175.22 177.17 2pfk s SER 197 N 1.23 3.12 0.49 6.13 0.15 -1.26 -4.99 113.70 118.57 2pfk s SER 197 Ca 0.03 -0.64 0.20 0.00 0.70 0.00 0.00 55.95 56.24 2pfk s SER 197 Cb -0.14 -1.47 1.23 0.00 -1.71 0.00 0.00 66.02 63.93 2pfk s SER 197 CO -0.02 0.02 2.05 0.08 1.20 0.00 0.00 173.24 176.57 2pfk h ARG 198 N 7.75 0.00 -0.20 5.44 0.11 -1.99 -1.67 114.38 123.82 2pfk h ARG 198 Ca -0.42 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.57 2pfk h ARG 198 Cb 1.16 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.23 2pfk h ARG 198 CO 0.61 0.14 -0.22 0.93 0.10 0.00 0.00 179.97 181.54 2pfk h GLU 199 N 0.00 0.49 -0.08 0.08 3.07 -1.99 -1.68 114.58 114.48 2pfk h GLU 199 Ca -0.00 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 2pfk h GLU 199 Cb 0.29 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2pfk h GLU 199 CO 0.02 0.85 0.05 -0.44 -1.40 0.00 0.00 179.01 178.09 2pfk h ASP 200 N 0.16 0.09 -0.13 1.42 3.32 -1.82 -1.33 116.42 118.14 2pfk h ASP 200 Ca 0.03 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.07 2pfk h ASP 200 Cb 0.77 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 2pfk h ASP 200 CO 0.05 0.08 0.05 0.25 -1.72 0.00 0.00 179.24 177.96 2pfk h LEU 201 N 0.10 0.07 -1.89 1.55 5.85 -1.31 -1.35 115.31 118.32 2pfk h LEU 201 Ca 0.03 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.76 2pfk h LEU 201 Cb 0.00 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2pfk h LEU 201 CO -0.01 0.06 0.08 1.62 -0.34 0.00 0.00 178.44 179.86 2pfk h VAL 202 N 0.12 1.02 -0.22 1.05 3.04 -1.11 0.15 116.25 120.30 2pfk h VAL 202 Ca 0.05 -0.05 -0.05 0.00 -1.01 0.00 0.00 66.70 65.65 2pfk h VAL 202 Cb 0.02 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 30.15 2pfk h VAL 202 CO -0.05 0.03 -0.04 0.78 -1.01 0.00 0.00 177.57 177.28 2pfk h ASN 203 N 0.15 0.42 -0.69 3.17 2.35 -0.37 -2.59 115.58 118.02 2pfk h ASN 203 Ca 0.05 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.44 2pfk h ASN 203 Cb 0.01 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 2pfk h ASN 203 CO -0.01 0.67 0.41 -0.33 -1.65 0.00 0.00 177.43 176.52 2pfk h GLU 204 N 0.15 0.94 -0.35 0.81 4.39 -0.75 -1.43 114.58 118.34 2pfk h GLU 204 Ca 0.06 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2pfk h GLU 204 Cb 0.48 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 2pfk h GLU 204 CO 0.02 0.68 0.16 0.82 -1.16 0.00 0.00 179.01 179.53 2pfk h ILE 205 N 0.94 1.17 -0.65 3.13 2.04 -0.95 -2.63 117.51 120.56 2pfk h ILE 205 Ca 0.25 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.64 2pfk h ILE 205 Cb -0.01 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 2pfk h ILE 205 CO -0.04 0.19 0.38 0.11 0.00 0.00 0.00 178.15 178.78 2pfk h LYS 206 N 0.43 0.71 -0.27 2.37 1.57 -1.23 -1.89 116.57 118.26 2pfk h LYS 206 Ca 0.12 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 2pfk h LYS 206 Cb 0.15 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 2pfk h LYS 206 CO -0.01 0.47 -0.01 0.00 -0.57 0.00 0.00 179.45 179.32 2pfk h ALA 207 N 1.31 0.23 0.00 3.86 0.00 -1.09 -0.94 119.26 122.63 2pfk h ALA 207 Ca 0.28 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 2pfk h ALA 207 Cb 0.11 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2pfk h ALA 207 CO -0.15 -0.42 -0.22 0.78 0.00 0.00 0.00 179.25 179.24 2pfk h GLY 208 N 0.07 0.00 1.22 0.00 0.00 -1.16 -1.39 103.07 101.80 2pfk h GLY 208 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.12 2pfk h GLY 208 CO -0.23 0.00 -1.53 -2.22 0.00 0.00 0.00 176.54 172.57 2pfk h ILE 209 N 0.00 1.22 0.07 2.60 2.04 -0.65 -1.13 117.51 121.65 2pfk h ILE 209 Ca -0.00 -2.69 -0.00 0.00 1.00 0.00 0.00 64.86 63.16 2pfk h ILE 209 Cb 0.58 2.97 -0.00 0.00 -0.74 0.00 0.00 36.82 39.62 2pfk h ILE 209 CO 0.03 0.83 -0.05 0.00 0.00 0.00 0.00 178.15 178.96 2pfk h ALA 210 N 0.19 -0.10 0.00 1.87 0.00 -1.11 0.90 119.26 121.01 2pfk h ALA 210 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2pfk h ALA 210 Cb 2.14 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.99 2pfk h ALA 210 CO 0.25 -0.56 0.00 1.63 0.00 0.00 0.00 179.25 180.56 2pfk n LYS 211 N -5.15 0.60 -4.35 0.00 5.02 -0.53 -4.76 118.16 109.00 2pfk n LYS 211 Ca -0.07 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.86 2pfk n LYS 211 Cb 0.08 -1.20 -0.07 0.00 -0.02 0.00 0.00 35.03 33.82 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 -0.31 3.54 0.72 0.00 0.31 -4.98 105.19 105.84 2pfk n GLY 212 Ca 0.00 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2pfk n GLY 212 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pfk s LYS 213 N -7.14 3.52 0.08 1.61 2.47 -0.43 -5.00 119.74 114.86 2pfk s LYS 213 Ca 0.48 -0.32 -0.34 0.00 -1.56 0.00 0.00 55.97 54.22 2pfk s LYS 213 Cb -0.27 -3.83 -0.16 0.00 -1.46 0.00 0.00 37.83 32.10 2pfk s LYS 213 CO 0.98 -0.65 1.59 0.87 0.16 0.00 0.00 175.35 178.30 2pfk h LYS 214 N 8.51 -0.92 -5.27 4.03 1.79 -1.90 -3.38 116.57 119.44 2pfk h LYS 214 Ca -0.28 0.06 -0.48 0.00 -2.18 0.00 0.00 60.65 57.77 2pfk h LYS 214 Cb 1.13 0.21 -0.14 0.00 -1.58 0.00 0.00 32.23 31.85 2pfk h LYS 214 CO 0.76 -0.61 -0.61 -3.38 -1.08 0.00 0.00 179.45 174.52 2pfk s HIS 215 N -5.96 1.99 -0.03 -1.35 -3.43 -1.26 -4.36 115.29 100.90 2pfk s HIS 215 Ca -0.18 -0.92 -0.29 0.00 -0.80 0.00 0.00 55.06 52.88 2pfk s HIS 215 Cb 0.04 -1.29 0.10 0.00 -1.43 0.00 0.00 32.58 30.00 2pfk s HIS 215 CO 0.62 0.06 0.85 0.00 -2.00 0.00 0.00 174.74 174.26 2pfk s ALA 216 N -3.24 -1.81 -0.07 -1.38 0.00 -1.10 -5.01 121.76 109.15 2pfk s ALA 216 Ca 0.36 1.12 0.03 0.00 0.00 0.00 0.00 51.96 53.47 2pfk s ALA 216 Cb 0.08 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.37 2pfk s ALA 216 CO 0.15 -0.57 -0.17 0.42 0.00 0.00 0.00 175.76 175.59 2pfk s ILE 217 N -2.48 1.50 -0.26 0.00 1.01 -1.26 0.06 121.20 119.78 2pfk s ILE 217 Ca 0.01 -0.71 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 2pfk s ILE 217 Cb -0.01 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.14 2pfk s ILE 217 CO -0.05 0.44 0.01 -0.69 0.00 0.00 0.00 174.94 174.65 2pfk s VAL 218 N 0.41 3.56 -0.22 2.92 1.01 0.44 -2.97 120.40 125.56 2pfk s VAL 218 Ca -0.13 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 2pfk s VAL 218 Cb -0.16 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2pfk s VAL 218 CO 0.05 0.24 0.33 0.00 0.00 0.00 0.00 175.10 175.71 2pfk s ALA 219 N 1.46 3.57 0.04 5.51 0.00 -0.26 -0.98 121.76 131.10 2pfk s ALA 219 Ca 0.03 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.38 2pfk s ALA 219 Cb -0.16 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 2pfk s ALA 219 CO -0.01 -0.29 -0.11 -1.50 0.00 0.00 0.00 175.76 173.85 2pfk s ILE 220 N 1.29 0.80 0.31 0.00 2.07 0.13 -0.89 121.20 124.92 2pfk s ILE 220 Ca 0.15 -0.96 -0.28 0.00 -1.41 0.00 0.00 60.65 58.15 2pfk s ILE 220 Cb -0.14 -0.78 -0.09 0.00 0.13 0.00 0.00 42.46 41.58 2pfk s ILE 220 CO 0.07 -0.15 1.08 -0.89 -1.91 0.00 0.00 174.94 173.14 2pfk s THR 221 N -1.00 3.56 0.91 4.00 2.01 -0.27 -0.53 115.64 124.32 2pfk s THR 221 Ca -0.03 1.45 -0.10 0.00 0.31 0.00 0.00 61.69 63.32 2pfk s THR 221 Cb -0.08 -3.88 0.14 0.00 0.01 0.00 0.00 72.50 68.69 2pfk s THR 221 CO 0.01 0.26 1.13 -1.83 -0.69 0.00 0.00 174.62 173.49 2pfk s GLU 222 N -1.75 1.05 -1.05 4.92 -1.05 0.99 -3.74 118.70 118.07 2pfk s GLU 222 Ca 0.48 1.40 -0.03 0.00 -0.15 0.00 0.00 54.97 56.67 2pfk s GLU 222 Cb -0.29 -1.74 0.00 0.00 -0.44 0.00 0.00 34.13 31.66 2pfk s GLU 222 CO 0.37 -2.56 0.40 0.72 0.95 0.00 0.00 175.26 175.14 2pfk n HIS 223 N -4.17 -1.30 0.00 4.83 8.25 -1.26 -4.56 115.22 117.00 2pfk n HIS 223 Ca 0.10 0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.90 2pfk n HIS 223 Cb 0.52 -3.35 0.00 0.00 1.12 0.00 0.00 29.99 28.28 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 -2.93 3.24 -3.79 -0.41 2.81 -1.25 -5.09 117.12 109.70 2pfk n MET 224 Ca -0.08 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.76 2pfk n MET 224 Cb 0.58 -0.99 -0.02 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 -2.93 6.62 0.30 0.00 3.68 -1.26 -4.94 116.67 118.14 2pfk s ASP 226 Ca 0.12 0.65 0.15 0.00 2.13 0.00 0.00 52.55 55.59 2pfk s ASP 226 Cb -0.03 -2.38 0.40 0.00 -1.45 0.00 0.00 42.92 39.47 2pfk s ASP 226 CO 0.04 -0.52 1.61 -0.37 0.13 0.00 0.00 175.17 176.05 2pfk h VAL 227 N 5.53 1.12 -0.54 1.11 -1.51 -1.99 -2.31 116.25 117.67 2pfk h VAL 227 Ca -0.25 -2.00 -0.09 0.00 -1.23 0.00 0.00 66.70 63.13 2pfk h VAL 227 Cb 1.11 2.16 -0.02 0.00 -2.13 0.00 0.00 31.29 32.41 2pfk h VAL 227 CO 0.84 0.52 -0.01 0.44 -1.23 0.00 0.00 177.57 178.13 2pfk h ASP 228 N 0.00 0.93 -0.45 4.19 3.45 -1.94 -1.79 116.42 120.82 2pfk h ASP 228 Ca -0.01 -0.31 -0.04 0.00 0.43 0.00 0.00 57.03 57.10 2pfk h ASP 228 Cb 1.12 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.62 2pfk h ASP 228 CO 0.07 1.02 0.11 -0.33 -1.57 0.00 0.00 179.24 178.53 2pfk h GLU 229 N 0.83 0.72 -0.21 3.56 4.39 -1.97 -0.96 114.58 120.93 2pfk h GLU 229 Ca 0.15 -0.18 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 2pfk h GLU 229 Cb 0.54 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2pfk h GLU 229 CO 0.03 0.72 -0.27 1.25 -1.16 0.00 0.00 179.01 179.58 2pfk h LEU 230 N 0.60 0.40 0.29 1.33 5.85 -1.22 -2.21 115.31 120.35 2pfk h LEU 230 Ca 0.14 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2pfk h LEU 230 Cb 0.33 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2pfk h LEU 230 CO 0.00 0.67 -0.21 0.00 -0.34 0.00 0.00 178.44 178.56 2pfk h ALA 231 N 1.37 -0.48 -0.25 1.25 0.00 -1.04 -1.04 119.26 119.08 2pfk h ALA 231 Ca 0.05 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2pfk h ALA 231 Cb 0.66 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 2pfk h ALA 231 CO 0.05 -0.79 -0.14 0.45 0.00 0.00 0.00 179.25 178.83 2pfk h HIS 232 N -0.49 -0.34 -0.05 0.00 3.86 -1.00 -1.25 115.15 115.88 2pfk h HIS 232 Ca -0.02 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 2pfk h HIS 232 Cb 0.42 0.19 -0.06 0.00 1.06 0.00 0.00 27.41 29.02 2pfk h HIS 232 CO -0.11 -0.21 -0.39 0.35 0.86 0.00 0.00 177.93 178.43 2pfk h PHE 233 N -0.11 -1.09 -0.29 2.45 3.57 -1.16 0.57 116.94 120.87 2pfk h PHE 233 Ca 0.13 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.74 2pfk h PHE 233 Cb 0.32 0.49 -0.06 0.00 2.79 0.00 0.00 35.95 39.48 2pfk h PHE 233 CO -0.31 -0.47 -0.14 0.82 -2.23 0.00 0.00 178.31 175.98 2pfk h ILE 234 N -0.52 0.57 -0.41 1.41 2.04 -0.92 0.20 117.51 119.88 2pfk h ILE 234 Ca 0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 2pfk h ILE 234 Cb 0.62 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2pfk h ILE 234 CO -0.33 0.00 0.18 -0.08 0.00 0.00 0.00 178.15 177.92 2pfk h GLU 235 N -0.10 0.61 -0.10 2.37 4.81 -1.08 -1.61 114.58 119.47 2pfk h GLU 235 Ca 0.15 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2pfk h GLU 235 Cb 0.33 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2pfk h GLU 235 CO -0.35 0.56 -0.05 0.87 -0.73 0.00 0.00 179.01 179.30 2pfk h LYS 236 N 0.52 -0.04 0.00 1.92 1.57 -0.38 0.51 116.57 120.67 2pfk h LYS 236 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2pfk h LYS 236 Cb 0.17 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2pfk h LYS 236 CO -0.01 -0.03 0.00 0.39 -0.57 0.00 0.00 179.45 179.23 2pfk n GLU 237 N -5.18 0.20 0.00 3.15 -0.58 0.01 -4.22 120.64 114.02 2pfk n GLU 237 Ca -0.04 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 2pfk n GLU 237 Cb 0.11 -1.80 0.00 0.00 -0.57 0.00 0.00 31.44 29.18 2pfk n GLU 237 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2pfk n THR 238 N -2.16 0.00 -0.86 2.62 -2.24 -0.61 -5.00 114.28 106.03 2pfk n THR 238 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2pfk n THR 238 Cb 0.32 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 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 2.17 0.92 3.66 3.38 0.00 0.16 -4.99 105.19 110.48 2pfk n GLY 239 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.14 4.10 0.03 1.61 6.06 -1.25 -5.03 118.95 124.33 2pfk s ARG 240 Ca 0.00 -0.05 -0.33 0.00 -2.50 0.00 0.00 55.73 52.85 2pfk s ARG 240 Cb 0.00 -3.55 -0.12 0.00 0.06 0.00 0.00 34.95 31.34 2pfk s ARG 240 CO 0.00 -0.02 1.81 -1.91 -2.50 0.00 0.00 175.30 172.68 2pfk n GLU 241 N 4.48 2.39 -4.30 5.12 2.13 -1.26 -3.90 120.64 125.31 2pfk n GLU 241 Ca -0.12 0.87 -0.27 0.00 0.66 0.00 0.00 57.16 58.31 2pfk n GLU 241 Cb 0.51 -2.72 -0.17 0.00 0.27 0.00 0.00 31.44 29.34 2pfk n GLU 241 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2pfk s THR 242 N 3.04 1.27 0.02 6.31 2.01 -1.26 -0.43 115.64 126.59 2pfk s THR 242 Ca 0.86 -0.49 0.06 0.00 0.31 0.00 0.00 61.69 62.43 2pfk s THR 242 Cb -0.61 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 2pfk s THR 242 CO 0.44 0.40 -0.18 -0.13 -0.69 0.00 0.00 174.62 174.46 2pfk s ARG 243 N 1.14 1.29 -0.12 4.92 1.81 -0.73 -4.67 118.95 122.59 2pfk s ARG 243 Ca -0.05 -0.75 -0.04 0.00 -1.72 0.00 0.00 55.73 53.18 2pfk s ARG 243 Cb -0.14 -1.30 -0.04 0.00 -0.45 0.00 0.00 34.95 33.02 2pfk s ARG 243 CO -0.03 0.34 0.04 0.00 -0.68 0.00 0.00 175.30 174.97 2pfk s ALA 244 N -0.62 3.41 -0.11 2.13 0.00 -1.26 -0.59 121.76 124.72 2pfk s ALA 244 Ca 0.06 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.26 2pfk s ALA 244 Cb -0.08 -1.68 0.02 0.00 0.00 0.00 0.00 23.12 21.39 2pfk s ALA 244 CO 0.01 0.48 -0.11 0.99 0.00 0.00 0.00 175.76 177.12 2pfk s THR 245 N -0.56 1.26 -0.44 0.00 2.01 0.39 -4.94 115.64 113.37 2pfk s THR 245 Ca 0.10 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 61.52 2pfk s THR 245 Cb -0.12 -1.20 0.07 0.00 0.01 0.00 0.00 72.50 71.26 2pfk s THR 245 CO 0.02 0.40 0.31 -0.69 -0.69 0.00 0.00 174.62 173.97 2pfk s VAL 246 N 1.32 4.65 0.23 3.82 1.01 -1.26 -0.87 120.40 129.30 2pfk s VAL 246 Ca -0.01 -1.23 -0.05 0.00 0.00 0.00 0.00 61.98 60.69 2pfk s VAL 246 Cb -0.14 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.55 2pfk s VAL 246 CO -0.05 -0.52 1.72 -0.07 0.00 0.00 0.00 175.10 176.19 2pfk h LEU 247 N 8.54 0.89 0.00 3.92 3.38 -1.96 -3.48 115.31 126.59 2pfk h LEU 247 Ca -0.25 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2pfk h LEU 247 Cb 1.10 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2pfk h LEU 247 CO 0.80 0.93 0.00 0.61 0.09 0.00 0.00 178.44 180.87 2pfk n GLY 248 N -0.59 0.47 0.15 0.83 0.00 -1.26 -3.72 105.19 101.07 2pfk n GLY 248 Ca 0.03 -0.83 0.09 0.00 0.00 0.00 0.00 46.02 45.31 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 0.62 0.27 1.61 8.25 -1.26 -2.05 115.22 122.65 2pfk n HIS 249 Ca 0.00 0.33 0.10 0.00 -0.26 0.00 0.00 57.72 57.89 2pfk n HIS 249 Cb 0.00 -0.99 0.72 0.00 1.12 0.00 0.00 29.99 30.84 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 0.82 0.00 1.59 3.07 -1.96 0.77 117.51 121.80 2pfk h ILE 250 Ca 0.00 -0.17 -0.03 0.00 1.55 0.00 0.00 64.86 66.21 2pfk h ILE 250 Cb 0.10 1.10 -0.00 0.00 -0.27 0.00 0.00 36.82 37.74 2pfk h ILE 250 CO 0.00 0.05 -0.12 1.56 -1.05 0.00 0.00 178.15 178.58 2pfk h GLN 251 N 0.00 0.00 0.00 0.16 4.20 -1.67 -2.97 115.11 114.83 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 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2pfk h GLN 251 CO 0.01 0.12 -0.47 0.54 -0.67 0.00 0.00 178.83 178.35 2pfk n ARG 252 N -3.67 0.28 -3.85 1.46 5.12 0.26 -4.42 116.66 111.84 2pfk n ARG 252 Ca -0.02 0.11 -0.24 0.00 -1.93 0.00 0.00 57.85 55.78 2pfk n ARG 252 Cb 0.24 -1.71 -0.04 0.00 -1.16 0.00 0.00 32.46 29.79 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 -3.62 2.28 0.00 -0.13 0.00 -1.12 -4.20 107.32 100.52 2pfk s GLY 253 Ca 0.07 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.04 2pfk s GLY 253 CO 0.69 -1.84 0.00 0.61 0.00 0.00 0.00 173.10 172.56 2pfk n GLY 254 N -1.51 2.10 3.71 0.20 0.00 -1.26 -4.94 105.19 103.49 2pfk n GLY 254 Ca 0.00 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 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 6.67 0.47 1.61 0.15 -1.26 -3.95 113.70 117.38 2pfk s SER 255 Ca 0.00 2.50 -0.24 0.00 0.70 0.00 0.00 55.95 58.91 2pfk s SER 255 Cb 0.00 -2.59 -0.07 0.00 -1.71 0.00 0.00 66.02 61.65 2pfk s SER 255 CO 0.00 -0.77 1.35 -2.16 1.20 0.00 0.00 173.24 172.85 2pfk s PRO 256 N 1.29 3.61 0.87 5.44 0.04 -1.26 -4.95 135.00 140.03 2pfk s PRO 256 Ca 0.69 2.23 -0.12 0.00 0.04 0.00 0.00 61.00 63.83 2pfk s PRO 256 Cb -0.41 -2.54 0.11 0.00 0.04 0.00 0.00 34.50 31.70 2pfk s PRO 256 CO 0.31 -0.81 1.12 0.14 0.04 0.00 0.00 177.00 177.80 2pfk s VAL 257 N -1.28 2.41 0.17 -0.36 -7.23 -1.26 -4.73 120.40 108.12 2pfk s VAL 257 Ca 0.63 0.13 -0.19 0.00 -1.81 0.00 0.00 61.98 60.74 2pfk s VAL 257 Cb -0.40 -2.87 0.10 0.00 0.56 0.00 0.00 36.38 33.78 2pfk s VAL 257 CO 0.50 -0.18 1.63 -0.65 -0.31 0.00 0.00 175.10 176.09 2pfk h PRO 258 N -1.36 -0.14 -0.45 4.82 0.11 -1.99 -0.75 132.00 132.24 2pfk h PRO 258 Ca -0.49 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.72 2pfk h PRO 258 Cb 1.31 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.37 2pfk h PRO 258 CO 0.61 -0.09 -0.06 -0.92 -0.21 0.00 0.00 178.00 177.33 2pfk h TYR 259 N -0.14 -0.14 -0.91 0.65 3.20 -1.99 -0.11 116.97 117.54 2pfk h TYR 259 Ca 0.20 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 2pfk h TYR 259 Cb 0.45 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 2pfk h TYR 259 CO -0.46 -0.15 0.51 -0.44 -1.64 0.00 0.00 178.16 175.98 2pfk h ASP 260 N 0.05 1.13 -0.66 -2.11 3.32 -1.75 0.44 116.42 116.84 2pfk h ASP 260 Ca 0.22 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2pfk h ASP 260 Cb 0.34 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2pfk h ASP 260 CO -0.42 0.90 0.35 0.03 -1.72 0.00 0.00 179.24 178.37 2pfk h ARG 261 N 1.27 0.94 0.46 3.56 3.08 -0.21 -1.95 114.38 121.53 2pfk h ARG 261 Ca 0.32 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 2pfk h ARG 261 Cb 0.01 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.89 2pfk h ARG 261 CO -0.05 0.72 -0.22 0.82 -1.07 0.00 0.00 179.97 180.17 2pfk h ILE 262 N 0.91 0.30 -0.65 2.04 2.04 -0.46 -2.42 117.51 119.27 2pfk h ILE 262 Ca 0.23 -0.55 0.13 0.00 1.00 0.00 0.00 64.86 65.67 2pfk h ILE 262 Cb 0.07 0.46 -0.12 0.00 -0.74 0.00 0.00 36.82 36.48 2pfk h ILE 262 CO -0.03 0.06 -0.20 0.25 0.00 0.00 0.00 178.15 178.22 2pfk h LEU 263 N -1.03 -0.74 -0.98 1.44 5.85 -0.98 -0.76 115.31 118.12 2pfk h LEU 263 Ca -0.06 0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.89 2pfk h LEU 263 Cb 0.57 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 2pfk h LEU 263 CO 0.10 -0.24 0.64 0.00 -0.34 0.00 0.00 178.44 178.61 2pfk h ALA 264 N 1.52 1.26 -0.48 1.25 0.00 -1.40 -0.16 119.26 121.26 2pfk h ALA 264 Ca 0.30 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2pfk h ALA 264 Cb 0.51 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2pfk h ALA 264 CO -0.69 0.58 -0.16 0.77 0.00 0.00 0.00 179.25 179.75 2pfk h SER 265 N 1.28 0.97 -0.12 0.00 0.02 -0.66 -1.71 113.55 113.34 2pfk h SER 265 Ca 0.37 -0.38 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 2pfk h SER 265 Cb -0.08 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.19 2pfk h SER 265 CO -0.10 1.13 -0.38 0.03 -1.14 0.00 0.00 176.83 176.37 2pfk h ARG 266 N 0.81 0.47 -0.18 3.45 3.08 -1.02 -3.08 114.38 117.90 2pfk h ARG 266 Ca 0.12 -0.35 -0.05 0.00 0.07 0.00 0.00 59.98 59.77 2pfk h ARG 266 Cb 0.73 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 2pfk h ARG 266 CO 0.06 0.97 -0.07 0.52 -1.07 0.00 0.00 179.97 180.37 2pfk h MET 267 N 0.07 0.38 0.00 0.04 2.86 -1.05 -1.79 114.93 115.43 2pfk h MET 267 Ca -0.01 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 2pfk h MET 267 Cb 1.01 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.65 2pfk h MET 267 CO 0.08 0.66 -0.06 0.78 1.06 0.00 0.00 176.91 179.43 2pfk h GLY 268 N 0.07 0.00 1.48 8.32 0.00 -1.43 -1.45 103.07 110.06 2pfk h GLY 268 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.08 2pfk h GLY 268 CO 0.02 0.00 -1.35 0.00 0.00 0.00 0.00 176.54 175.21 2pfk h ALA 269 N 1.94 0.06 0.00 3.60 0.00 -1.43 -2.97 119.26 120.46 2pfk h ALA 269 Ca -0.00 -0.92 -0.11 0.00 0.00 0.00 0.00 54.91 53.88 2pfk h ALA 269 Cb 0.47 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2pfk h ALA 269 CO 0.01 0.93 -0.54 -0.92 0.00 0.00 0.00 179.25 178.74 2pfk h TYR 270 N 0.09 0.00 -0.85 0.00 3.20 -1.03 -2.91 116.97 115.47 2pfk h TYR 270 Ca -0.18 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.66 2pfk h TYR 270 Cb 2.03 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 40.26 2pfk h TYR 270 CO 0.08 0.54 0.44 0.00 -1.64 0.00 0.00 178.16 177.58 2pfk h ALA 271 N 1.46 1.09 0.18 1.82 0.00 -1.35 -1.82 119.26 120.64 2pfk h ALA 271 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2pfk h ALA 271 Cb 0.96 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2pfk h ALA 271 CO 0.07 0.63 -0.08 0.82 0.00 0.00 0.00 179.25 180.68 2pfk h ILE 272 N 1.20 0.84 -0.79 0.00 1.08 -1.63 -2.67 117.51 115.53 2pfk h ILE 272 Ca 0.30 -0.06 0.09 0.00 -0.39 0.00 0.00 64.86 64.80 2pfk h ILE 272 Cb 0.07 0.88 -0.07 0.00 -3.07 0.00 0.00 36.82 34.63 2pfk h ILE 272 CO -0.04 0.01 0.44 0.44 -0.69 0.00 0.00 178.15 178.32 2pfk h ASP 273 N -0.27 0.63 -0.22 1.72 3.45 -1.44 -1.74 116.42 118.56 2pfk h ASP 273 Ca -0.02 0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.48 2pfk h ASP 273 Cb 0.20 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 2pfk h ASP 273 CO 0.04 0.36 0.11 -0.07 -1.57 0.00 0.00 179.24 178.11 2pfk h LEU 274 N 0.75 0.28 -0.33 1.55 3.38 -1.14 -2.17 115.31 117.64 2pfk h LEU 274 Ca 0.38 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.26 2pfk h LEU 274 Cb 0.35 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2pfk h LEU 274 CO -0.25 0.32 0.17 -0.07 0.09 0.00 0.00 178.44 178.70 2pfk h LEU 275 N 0.23 0.25 -1.14 1.67 3.38 -1.11 0.26 115.31 118.85 2pfk h LEU 275 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2pfk h LEU 275 Cb 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2pfk h LEU 275 CO -0.01 0.19 0.00 -0.07 0.09 0.00 0.00 178.44 178.64 2pfk h LEU 276 N 0.35 0.00 -2.15 1.67 3.38 -1.31 -1.60 115.31 115.64 2pfk h LEU 276 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2pfk h LEU 276 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2pfk h LEU 276 CO -0.09 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.44 2pfk n ALA 277 N -1.94 2.43 -2.72 1.53 0.00 -0.82 -4.94 120.51 114.04 2pfk n ALA 277 Ca 0.01 -0.98 -0.10 0.00 0.00 0.00 0.00 53.44 52.38 2pfk n ALA 277 Cb 0.26 -0.94 0.02 0.00 0.00 0.00 0.00 19.45 18.80 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 1.46 0.24 3.98 0.00 0.00 -0.60 -5.06 105.19 105.20 2pfk n GLY 278 Ca 0.20 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.93 3.06 -0.12 1.61 1.51 0.04 -4.99 117.35 115.53 2pfk s TYR 279 Ca 0.17 -0.04 -0.30 0.00 -1.01 0.00 0.00 57.07 55.89 2pfk s TYR 279 Cb -0.08 -2.31 0.12 0.00 -0.11 0.00 0.00 41.96 39.59 2pfk s TYR 279 CO 0.21 -0.36 1.00 0.20 -1.11 0.00 0.00 175.55 175.49 2pfk s GLY 280 N -4.26 -0.32 -0.95 0.71 0.00 -1.26 -4.34 107.32 96.90 2pfk s GLY 280 Ca 0.50 1.67 -0.03 0.00 0.00 0.00 0.00 44.72 46.86 2pfk s GLY 280 CO 0.35 0.74 0.36 0.61 0.00 0.00 0.00 173.10 175.16 2pfk n GLY 281 N 0.29 -0.05 3.47 0.20 0.00 -0.05 -4.86 105.19 104.19 2pfk n GLY 281 Ca -0.08 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 -5.22 1.68 -0.10 1.61 1.81 -1.05 -1.04 118.95 116.64 2pfk s ARG 282 Ca 0.18 -1.38 0.02 0.00 -1.72 0.00 0.00 55.73 52.84 2pfk s ARG 282 Cb -0.08 -1.98 0.01 0.00 -0.45 0.00 0.00 34.95 32.46 2pfk s ARG 282 CO 0.22 0.43 -0.16 0.00 -0.68 0.00 0.00 175.30 175.12 2pfk s VAL 284 N 0.82 4.23 0.22 0.00 1.01 -0.27 -1.79 120.40 124.62 2pfk s VAL 284 Ca -0.10 1.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.99 2pfk s VAL 284 Cb -0.16 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 2pfk s VAL 284 CO 0.01 -0.47 0.38 -0.83 0.00 0.00 0.00 175.10 174.18 2pfk s GLY 285 N -2.58 0.69 -0.20 4.51 0.00 -0.56 -4.45 107.32 104.73 2pfk s GLY 285 Ca 0.62 -1.03 -0.00 0.00 0.00 0.00 0.00 44.72 44.31 2pfk s GLY 285 CO 0.25 -0.81 -0.05 -1.50 0.00 0.00 0.00 173.10 170.99 2pfk s ILE 286 N -4.03 1.30 -0.11 0.90 2.07 -1.26 -1.58 121.20 118.49 2pfk s ILE 286 Ca 0.25 -0.92 0.00 0.00 -1.41 0.00 0.00 60.65 58.56 2pfk s ILE 286 Cb 0.02 -1.54 0.02 0.00 0.13 0.00 0.00 42.46 41.09 2pfk s ILE 286 CO 0.08 0.00 -0.09 -1.10 -1.91 0.00 0.00 174.94 171.92 2pfk s GLN 287 N 1.52 1.63 -1.39 3.50 -0.21 0.44 -0.06 119.66 125.10 2pfk s GLN 287 Ca -0.02 -0.31 -0.12 0.00 0.02 0.00 0.00 55.36 54.92 2pfk s GLN 287 Cb -0.17 -1.61 0.10 0.00 1.00 0.00 0.00 33.01 32.32 2pfk s GLN 287 CO -0.07 -0.22 0.60 0.09 -2.12 0.00 0.00 175.29 173.57 2pfk n ASN 288 N 4.75 -3.62 0.00 5.90 5.03 -1.26 -0.51 115.26 125.56 2pfk n ASN 288 Ca -0.15 -0.57 0.00 0.00 0.87 0.00 0.00 54.58 54.73 2pfk n ASN 288 Cb 0.50 -2.98 0.00 0.00 -1.02 0.00 0.00 39.78 36.28 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 -3.95 0.00 -4.66 3.52 -0.58 -1.26 -5.04 120.64 108.68 2pfk n GLU 289 Ca 0.02 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.44 2pfk n GLU 289 Cb 0.52 -2.25 -0.12 0.00 -0.57 0.00 0.00 31.44 29.02 2pfk n GLU 289 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2pfk s GLN 290 N -0.13 2.25 0.07 3.49 1.11 0.34 -5.08 119.66 121.71 2pfk s GLN 290 Ca 0.00 -0.88 -0.31 0.00 0.01 0.00 0.00 55.36 54.19 2pfk s GLN 290 Cb 0.00 -2.29 -0.07 0.00 -1.01 0.00 0.00 33.01 29.65 2pfk s GLN 290 CO 0.00 0.57 1.33 -0.51 0.01 0.00 0.00 175.29 176.69 2pfk s LEU 291 N -1.31 4.36 0.26 2.90 1.43 -1.26 -0.42 118.68 124.64 2pfk s LEU 291 Ca 0.15 2.18 0.03 0.00 -1.03 0.00 0.00 54.13 55.45 2pfk s LEU 291 Cb -0.11 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 2pfk s LEU 291 CO 0.05 -0.61 0.05 0.68 0.23 0.00 0.00 176.35 176.75 2pfk s VAL 292 N 1.40 0.85 -0.12 -1.59 -7.23 -0.61 -4.93 120.40 108.18 2pfk s VAL 292 Ca 0.63 -2.01 -0.12 0.00 -1.81 0.00 0.00 61.98 58.67 2pfk s VAL 292 Cb -0.33 -2.56 0.03 0.00 0.56 0.00 0.00 36.38 34.08 2pfk s VAL 292 CO 0.29 -0.12 0.33 -1.38 -0.31 0.00 0.00 175.10 173.91 2pfk s HIS 293 N -3.55 -0.35 0.26 2.82 -3.43 -1.26 -1.50 115.29 108.28 2pfk s HIS 293 Ca 0.34 0.85 0.03 0.00 -0.80 0.00 0.00 55.06 55.48 2pfk s HIS 293 Cb 0.07 0.12 -0.06 0.00 -1.43 0.00 0.00 32.58 31.29 2pfk s HIS 293 CO 0.12 -0.20 0.03 -1.01 -2.00 0.00 0.00 174.74 171.68 2pfk s HIS 294 N 0.04 1.68 0.01 0.38 3.76 -0.74 -4.95 115.29 115.48 2pfk s HIS 294 Ca -0.01 -0.96 -0.30 0.00 -0.15 0.00 0.00 55.06 53.63 2pfk s HIS 294 Cb -0.03 -1.01 -0.05 0.00 1.11 0.00 0.00 32.58 32.60 2pfk s HIS 294 CO 0.01 -0.06 1.35 0.34 -0.85 0.00 0.00 174.74 175.53 2pfk s ASP 295 N -3.36 6.90 0.42 1.40 2.15 -1.26 -1.97 116.67 120.95 2pfk s ASP 295 Ca 0.32 2.09 0.22 0.00 0.43 0.00 0.00 52.55 55.60 2pfk s ASP 295 Cb 0.07 -2.57 1.18 0.00 -0.30 0.00 0.00 42.92 41.31 2pfk s ASP 295 CO 0.11 -0.67 1.78 0.40 -0.17 0.00 0.00 175.17 176.63 2pfk h ILE 296 N 4.81 0.50 -0.62 4.11 2.04 -1.40 -1.59 117.51 125.36 2pfk h ILE 296 Ca -0.38 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.41 2pfk h ILE 296 Cb 1.18 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 2pfk h ILE 296 CO 0.89 0.06 0.36 0.40 0.00 0.00 0.00 178.15 179.85 2pfk h ILE 297 N 0.32 1.03 0.00 -0.67 2.04 -1.90 -2.03 117.51 116.29 2pfk h ILE 297 Ca 0.59 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 66.21 2pfk h ILE 297 Cb 1.63 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2pfk h ILE 297 CO -0.25 0.13 0.00 0.47 0.00 0.00 0.00 178.15 178.50 2pfk n ASP 298 N -4.77 0.49 -0.05 1.72 10.43 -0.60 -0.73 116.55 123.04 2pfk n ASP 298 Ca 0.06 0.64 -0.06 0.00 2.57 0.00 0.00 54.79 58.00 2pfk n ASP 298 Cb 0.12 -0.74 -0.14 0.00 1.84 0.00 0.00 41.12 42.20 2pfk n ASP 298 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2pfk n ALA 299 N -1.71 1.67 -0.00 2.24 0.00 -0.87 -4.23 120.51 117.61 2pfk n ALA 299 Ca 0.02 -0.97 0.08 0.00 0.00 0.00 0.00 53.44 52.57 2pfk n ALA 299 Cb 0.18 -0.55 0.19 0.00 0.00 0.00 0.00 19.45 19.26 2pfk n ALA 299 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2pfk n ILE 300 N -2.82 0.72 0.00 0.00 -5.35 -0.82 -4.63 119.36 106.46 2pfk n ILE 300 Ca -0.22 -0.86 0.00 0.00 -0.27 0.00 0.00 62.75 61.40 2pfk n ILE 300 Cb 1.03 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.67 2pfk n ILE 300 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00