#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 5.02 -0.04 1.12 -1.09 -1.26 -4.96 121.20 119.99 2pfk s ILE 1 Ca 0.00 1.32 0.01 0.00 -2.23 0.00 0.00 60.65 59.74 2pfk s ILE 1 Cb 0.00 -3.99 -0.03 0.00 -1.58 0.00 0.00 42.46 36.85 2pfk s ILE 1 CO 0.00 0.15 -0.03 0.29 -1.23 0.00 0.00 174.94 174.12 2pfk n LYS 2 N 4.62 0.58 -3.97 2.79 4.76 -1.26 -4.96 118.16 120.72 2pfk n LYS 2 Ca -0.01 0.02 -0.22 0.00 -2.87 0.00 0.00 58.31 55.24 2pfk n LYS 2 Cb 0.50 -1.09 -0.17 0.00 -1.84 0.00 0.00 35.03 32.43 2pfk n LYS 2 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2pfk s LYS 3 N -2.09 0.77 0.26 1.97 1.02 -1.26 -1.79 119.74 118.62 2pfk s LYS 3 Ca -0.05 -0.02 0.08 0.00 0.02 0.00 0.00 55.97 55.99 2pfk s LYS 3 Cb 0.01 -0.94 -0.04 0.00 -0.52 0.00 0.00 37.83 36.34 2pfk s LYS 3 CO 0.11 -0.19 0.15 0.96 -0.92 0.00 0.00 175.35 175.46 2pfk s ILE 4 N 1.44 4.09 0.15 2.17 -4.36 -0.72 -0.66 121.20 123.31 2pfk s ILE 4 Ca -0.03 -1.54 0.09 0.00 -0.26 0.00 0.00 60.65 58.92 2pfk s ILE 4 Cb -0.13 -3.24 -0.04 0.00 1.25 0.00 0.00 42.46 40.30 2pfk s ILE 4 CO -0.03 -0.34 -0.16 -0.83 0.24 0.00 0.00 174.94 173.82 2pfk s GLY 5 N -3.81 1.71 0.00 6.27 0.00 -0.72 -1.72 107.32 109.05 2pfk s GLY 5 Ca 0.33 -1.44 0.02 0.00 0.00 0.00 0.00 44.72 43.63 2pfk s GLY 5 CO 0.24 -1.44 -0.07 0.54 0.00 0.00 0.00 173.10 172.37 2pfk s VAL 6 N -1.42 0.51 0.08 1.40 0.11 0.46 -1.56 120.40 119.98 2pfk s VAL 6 Ca 0.21 -0.36 -0.09 0.00 -2.93 0.00 0.00 61.98 58.81 2pfk s VAL 6 Cb -0.10 -0.45 -0.00 0.00 -1.53 0.00 0.00 36.38 34.30 2pfk s VAL 6 CO 0.12 0.09 0.19 -1.48 -3.33 0.00 0.00 175.10 170.69 2pfk s LEU 7 N -0.30 1.42 -0.13 2.54 0.05 -1.04 -0.62 118.68 120.59 2pfk s LEU 7 Ca 0.01 -0.61 0.02 0.00 0.05 0.00 0.00 54.13 53.60 2pfk s LEU 7 Cb -0.03 1.03 0.01 0.00 -2.05 0.00 0.00 46.19 45.15 2pfk s LEU 7 CO -0.00 -0.71 -0.18 0.42 -0.55 0.00 0.00 176.35 175.33 2pfk s THR 8 N -3.69 1.75 0.10 5.48 -4.23 -1.26 -0.81 115.64 112.97 2pfk s THR 8 Ca 0.04 -0.78 0.06 0.00 -1.18 0.00 0.00 61.69 59.82 2pfk s THR 8 Cb 0.04 -1.58 -0.03 0.00 1.34 0.00 0.00 72.50 72.27 2pfk s THR 8 CO -0.10 0.49 -0.14 -0.55 -0.54 0.00 0.00 174.62 173.78 2pfk s SER 9 N 1.02 1.87 0.00 3.99 0.15 0.39 -3.06 113.70 118.06 2pfk s SER 9 Ca -0.04 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.88 2pfk s SER 9 Cb -0.15 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 2pfk s SER 9 CO -0.04 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2pfk n GLY 10 N 0.85 -0.60 3.65 9.45 0.00 -1.26 -3.51 105.19 113.76 2pfk n GLY 10 Ca -0.18 -1.77 -0.44 0.00 0.00 0.00 0.00 46.02 43.64 2pfk n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pfk n GLY 11 N -0.61 0.26 3.74 -0.02 0.00 -1.26 -4.77 105.19 102.53 2pfk n GLY 11 Ca 0.00 0.35 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 2pfk n GLY 11 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2pfk s ASP 12 N -0.32 4.40 -0.03 1.61 -4.77 -1.26 -4.82 116.67 111.48 2pfk s ASP 12 Ca 0.59 2.10 -0.03 0.00 -3.30 0.00 0.00 52.55 51.91 2pfk s ASP 12 Cb -0.64 -2.56 0.01 0.00 -1.09 0.00 0.00 42.92 38.64 2pfk s ASP 12 CO 0.59 -2.11 0.08 0.00 0.70 0.00 0.00 175.17 174.43 2pfk s ALA 13 N -2.38 -0.20 0.00 2.11 0.00 -1.26 -4.75 121.76 115.29 2pfk s ALA 13 Ca 0.68 0.24 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 2pfk s ALA 13 Cb -0.23 -0.14 -0.08 0.00 0.00 0.00 0.00 23.12 22.67 2pfk s ALA 13 CO 0.48 -0.04 1.91 -2.14 0.00 0.00 0.00 175.76 175.96 2pfk s PRO 14 N 0.09 4.10 0.00 0.00 0.02 -1.26 -1.39 135.00 136.56 2pfk s PRO 14 Ca -0.00 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.50 2pfk s PRO 14 Cb -0.01 -4.13 0.00 0.00 0.02 0.00 0.00 34.50 30.38 2pfk s PRO 14 CO -0.00 -0.99 0.00 0.41 -0.33 0.00 0.00 177.00 176.09 2pfk n GLY 15 N 4.51 1.89 0.36 0.52 0.00 -1.26 -3.00 105.19 108.21 2pfk n GLY 15 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 0.86 -0.38 1.61 2.86 -1.41 -1.01 114.93 117.45 2pfk h MET 16 Ca 0.00 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 2pfk h MET 16 Cb 0.00 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 2pfk h MET 16 CO 0.00 0.57 -0.19 -0.91 1.06 0.00 0.00 176.91 177.44 2pfk h ASN 17 N 0.88 0.74 -0.24 1.22 2.35 -1.76 -0.88 115.58 117.89 2pfk h ASN 17 Ca 0.37 -0.25 -0.08 0.00 -0.55 0.00 0.00 56.30 55.80 2pfk h ASN 17 Cb 0.31 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2pfk h ASN 17 CO -0.14 0.92 -0.10 0.00 -1.65 0.00 0.00 177.43 176.46 2pfk h ALA 18 N 1.14 1.16 0.12 -0.83 0.00 -1.38 -1.77 119.26 117.70 2pfk h ALA 18 Ca 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2pfk h ALA 18 Cb 0.68 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2pfk h ALA 18 CO 0.05 0.54 -0.06 0.00 0.00 0.00 0.00 179.25 179.78 2pfk h ALA 19 N 1.33 -0.16 -0.91 0.00 0.00 -1.07 0.12 119.26 118.57 2pfk h ALA 19 Ca 0.11 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.94 2pfk h ALA 19 Cb 0.51 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 2pfk h ALA 19 CO 0.03 -0.39 0.58 0.82 0.00 0.00 0.00 179.25 180.29 2pfk h ILE 20 N -0.55 0.90 -0.41 0.00 2.04 -0.99 -0.39 117.51 118.11 2pfk h ILE 20 Ca -0.02 -0.28 -0.12 0.00 1.00 0.00 0.00 64.86 65.44 2pfk h ILE 20 Cb 0.44 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 2pfk h ILE 20 CO 0.03 0.15 -0.21 -0.09 0.00 0.00 0.00 178.15 178.03 2pfk h ARG 21 N 0.82 0.87 -0.57 2.37 2.43 -1.16 -1.77 114.38 117.38 2pfk h ARG 21 Ca 0.44 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2pfk h ARG 21 Cb 0.55 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 2pfk h ARG 21 CO -0.20 1.03 0.32 0.78 -1.51 0.00 0.00 179.97 180.39 2pfk h GLY 22 N 0.68 0.83 0.99 2.80 0.00 0.62 -1.59 103.07 107.40 2pfk h GLY 22 Ca 0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 2pfk h GLY 22 CO 0.06 0.35 -0.31 -2.08 0.00 0.00 0.00 176.54 174.56 2pfk h VAL 23 N 0.76 0.35 -0.17 4.60 2.07 -1.10 -2.73 116.25 120.02 2pfk h VAL 23 Ca 0.20 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.72 2pfk h VAL 23 Cb 0.02 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 2pfk h VAL 23 CO -0.03 0.01 -0.06 0.58 0.02 0.00 0.00 177.57 178.08 2pfk h VAL 24 N -0.90 0.78 -0.77 2.57 2.07 -1.31 -0.83 116.25 117.85 2pfk h VAL 24 Ca -0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2pfk h VAL 24 Cb 0.68 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 2pfk h VAL 24 CO 0.15 0.00 0.40 0.03 0.02 0.00 0.00 177.57 178.16 2pfk h ARG 25 N -0.04 1.10 -0.10 1.57 3.08 -1.32 -1.76 114.38 116.91 2pfk h ARG 25 Ca 0.09 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2pfk h ARG 25 Cb 0.17 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2pfk h ARG 25 CO -0.19 0.83 -0.00 0.77 -1.07 0.00 0.00 179.97 180.31 2pfk h SER 26 N 1.08 0.17 0.27 7.04 0.02 -1.36 -2.69 113.55 118.08 2pfk h SER 26 Ca 0.27 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2pfk h SER 26 Cb 0.08 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2pfk h SER 26 CO -0.04 0.45 -0.25 0.00 -1.14 0.00 0.00 176.83 175.85 2pfk h ALA 27 N 0.73 -0.53 -0.90 3.77 0.00 -1.04 -2.63 119.26 118.65 2pfk h ALA 27 Ca 0.03 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.97 2pfk h ALA 27 Cb 0.36 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 2pfk h ALA 27 CO 0.01 -0.83 0.54 -0.07 0.00 0.00 0.00 179.25 178.89 2pfk h LEU 28 N -0.55 0.77 -2.14 0.00 4.07 -1.37 -0.54 115.31 115.55 2pfk h LEU 28 Ca -0.01 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 2pfk h LEU 28 Cb 0.50 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 2pfk h LEU 28 CO -0.04 0.41 -0.07 0.74 -1.08 0.00 0.00 178.44 178.40 2pfk h THR 29 N 0.86 0.58 -0.64 0.22 2.02 -1.23 -1.27 112.91 113.44 2pfk h THR 29 Ca 0.45 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.32 2pfk h THR 29 Cb 0.45 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2pfk h THR 29 CO -0.27 0.07 0.00 -0.62 0.37 0.00 0.00 175.52 175.07 2pfk n GLU 30 N -3.76 2.68 -0.99 6.66 -0.58 -0.38 -4.96 120.64 119.30 2pfk n GLU 30 Ca -0.02 -2.56 0.00 0.00 -0.42 0.00 0.00 57.16 54.16 2pfk n GLU 30 Cb 0.17 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 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 1.57 0.43 3.84 0.62 0.00 -0.48 -5.03 105.19 106.15 2pfk n GLY 31 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 3.88 -0.11 0.99 1.43 -0.35 -4.97 118.68 119.55 2pfk s LEU 32 Ca 0.00 1.43 -0.12 0.00 -1.03 0.00 0.00 54.13 54.41 2pfk s LEU 32 Cb 0.00 -4.29 -0.05 0.00 0.03 0.00 0.00 46.19 41.88 2pfk s LEU 32 CO 0.00 -0.37 0.28 -1.61 0.23 0.00 0.00 176.35 174.87 2pfk s GLU 33 N -3.46 3.97 -0.05 1.70 2.02 -0.74 -3.79 118.70 118.35 2pfk s GLU 33 Ca 0.57 0.11 0.05 0.00 0.02 0.00 0.00 54.97 55.71 2pfk s GLU 33 Cb -0.10 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 2pfk s GLU 33 CO 0.22 0.49 -0.18 0.08 0.02 0.00 0.00 175.26 175.89 2pfk s VAL 34 N -0.29 2.69 -0.13 2.63 1.01 -1.26 -1.75 120.40 123.29 2pfk s VAL 34 Ca 0.18 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2pfk s VAL 34 Cb -0.14 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.22 2pfk s VAL 34 CO 0.06 0.58 -0.22 -0.04 0.00 0.00 0.00 175.10 175.48 2pfk s MET 35 N -0.51 2.95 -0.12 2.72 -1.94 -0.70 -1.00 119.30 120.71 2pfk s MET 35 Ca 0.07 -0.83 -0.14 0.00 -1.71 0.00 0.00 55.69 53.07 2pfk s MET 35 Cb -0.11 -2.35 -0.05 0.00 2.01 0.00 0.00 34.83 34.33 2pfk s MET 35 CO 0.01 0.03 0.33 0.20 -0.01 0.00 0.00 175.02 175.58 2pfk s GLY 36 N 0.71 2.29 -0.18 -0.03 0.00 0.20 -0.40 107.32 109.90 2pfk s GLY 36 Ca -0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 44.72 44.21 2pfk s GLY 36 CO 0.01 0.35 -0.06 -0.42 0.00 0.00 0.00 173.10 172.98 2pfk s ILE 37 N 0.04 3.48 0.39 0.90 1.01 0.20 -0.30 121.20 126.92 2pfk s ILE 37 Ca 0.19 -0.48 -0.23 0.00 0.00 0.00 0.00 60.65 60.13 2pfk s ILE 37 Cb -0.14 -2.54 -0.11 0.00 0.01 0.00 0.00 42.46 39.69 2pfk s ILE 37 CO 0.07 0.47 0.95 -0.31 0.00 0.00 0.00 174.94 176.11 2pfk s TYR 38 N 0.86 3.44 -1.61 3.97 2.02 -1.04 -4.24 117.35 120.75 2pfk s TYR 38 Ca -0.01 1.66 -0.16 0.00 -0.37 0.00 0.00 57.07 58.19 2pfk s TYR 38 Cb -0.15 -2.87 0.12 0.00 -0.40 0.00 0.00 41.96 38.66 2pfk s TYR 38 CO 0.01 0.00 0.88 -0.25 -1.57 0.00 0.00 175.55 174.63 2pfk n ASP 39 N -0.23 -4.01 0.00 2.29 10.43 -0.15 -2.28 116.55 122.59 2pfk n ASP 39 Ca 0.05 -0.89 0.00 0.00 2.57 0.00 0.00 54.79 56.52 2pfk n ASP 39 Cb 0.53 -3.35 0.00 0.00 1.84 0.00 0.00 41.12 40.14 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 -1.56 3.53 0.21 0.44 0.00 -1.17 -2.81 105.19 103.82 2pfk n GLY 40 Ca 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 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 0.35 -0.16 1.61 0.05 -1.84 -3.00 116.97 113.97 2pfk h TYR 41 Ca 0.00 -0.09 0.04 0.00 0.05 0.00 0.00 58.73 58.73 2pfk h TYR 41 Cb 0.00 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 37.62 2pfk h TYR 41 CO 0.00 0.64 -0.08 1.25 -1.05 0.00 0.00 178.16 178.92 2pfk h LEU 42 N 0.25 -0.27 -1.45 3.88 5.85 -1.80 -2.35 115.31 119.43 2pfk h LEU 42 Ca 0.03 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2pfk h LEU 42 Cb 0.79 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 2pfk h LEU 42 CO 0.06 -0.11 0.40 1.23 -0.34 0.00 0.00 178.44 179.68 2pfk h GLY 43 N -0.07 0.81 0.83 3.75 0.00 -1.32 -1.82 103.07 105.25 2pfk h GLY 43 Ca 0.09 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 2pfk h GLY 43 CO -0.21 0.26 -0.05 -2.00 0.00 0.00 0.00 176.54 174.55 2pfk h LEU 44 N 0.74 -0.11 0.21 3.11 5.85 -1.39 -0.65 115.31 123.07 2pfk h LEU 44 Ca 0.23 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2pfk h LEU 44 Cb 0.02 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2pfk h LEU 44 CO -0.06 0.08 -0.22 0.22 -0.34 0.00 0.00 178.44 178.12 2pfk h TYR 45 N -0.29 -0.59 0.00 1.25 3.20 -1.10 -2.93 116.97 116.51 2pfk h TYR 45 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2pfk h TYR 45 Cb 0.25 0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.75 2pfk h TYR 45 CO -0.02 -0.33 0.00 0.39 -1.64 0.00 0.00 178.16 176.56 2pfk n GLU 46 N -5.35 1.00 -4.18 1.82 1.02 -0.72 -4.67 120.64 109.57 2pfk n GLU 46 Ca -0.08 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.71 2pfk n GLU 46 Cb 0.26 -1.09 -0.02 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.41 -3.33 -4.36 1.62 2.03 -0.38 -4.95 116.55 106.76 2pfk n ASP 47 Ca 0.00 -0.99 -0.45 0.00 0.52 0.00 0.00 54.79 53.87 2pfk n ASP 47 Cb 0.04 -2.90 -0.06 0.00 -0.72 0.00 0.00 41.12 37.48 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 -6.88 3.01 0.28 -0.67 0.52 -0.43 -5.04 118.95 109.74 2pfk s ARG 48 Ca 0.69 -1.44 0.03 0.00 -0.52 0.00 0.00 55.73 54.50 2pfk s ARG 48 Cb -0.38 -4.22 -0.04 0.00 0.52 0.00 0.00 34.95 30.84 2pfk s ARG 48 CO 0.92 -1.27 0.20 -1.64 0.02 0.00 0.00 175.30 173.53 2pfk s MET 49 N 1.94 1.53 -0.09 3.54 1.00 -1.26 -2.49 119.30 123.47 2pfk s MET 49 Ca 0.06 -1.86 -0.10 0.00 0.00 0.00 0.00 55.69 53.79 2pfk s MET 49 Cb -0.26 0.21 0.03 0.00 0.00 0.00 0.00 34.83 34.80 2pfk s MET 49 CO 0.06 -0.52 0.28 0.54 0.00 0.00 0.00 175.02 175.38 2pfk s VAL 50 N -3.73 0.01 -0.16 -6.03 0.11 0.58 -4.97 120.40 106.22 2pfk s VAL 50 Ca 0.39 -0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 59.04 2pfk s VAL 50 Cb 0.05 -0.43 -0.01 0.00 -1.53 0.00 0.00 36.38 34.46 2pfk s VAL 50 CO 0.20 -0.06 1.10 -1.58 -3.33 0.00 0.00 175.10 171.43 2pfk s GLN 51 N -0.14 4.31 0.20 1.54 0.74 -1.26 0.61 119.66 125.66 2pfk s GLN 51 Ca -0.03 1.47 -0.11 0.00 0.05 0.00 0.00 55.36 56.75 2pfk s GLN 51 Cb -0.03 -3.63 -0.07 0.00 1.10 0.00 0.00 33.01 30.39 2pfk s GLN 51 CO 0.01 -0.53 0.55 -0.51 -0.55 0.00 0.00 175.29 174.25 2pfk s LEU 52 N 2.80 4.22 0.34 3.68 1.43 -0.17 -4.89 118.68 126.08 2pfk s LEU 52 Ca 0.49 0.97 0.01 0.00 -1.03 0.00 0.00 54.13 54.57 2pfk s LEU 52 Cb -0.19 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 2pfk s LEU 52 CO 0.13 -0.01 0.39 1.51 0.23 0.00 0.00 176.35 178.60 2pfk s ASP 53 N -2.15 1.20 0.23 2.29 3.84 -1.26 -4.41 116.67 116.41 2pfk s ASP 53 Ca 0.44 -1.59 -0.08 0.00 -0.00 0.00 0.00 52.55 51.32 2pfk s ASP 53 Cb -0.12 0.62 0.24 0.00 -1.38 0.00 0.00 42.92 42.27 2pfk s ASP 53 CO 0.20 -1.20 1.88 0.03 -0.00 0.00 0.00 175.17 176.09 2pfk h ARG 54 N 2.13 1.05 -0.49 2.11 3.08 -1.98 -2.41 114.38 117.88 2pfk h ARG 54 Ca -0.27 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.65 2pfk h ARG 54 Cb 1.24 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 2pfk h ARG 54 CO 0.38 0.70 0.05 -0.92 -1.07 0.00 0.00 179.97 179.11 2pfk h TYR 55 N 1.09 0.82 0.00 3.04 3.20 -1.99 -2.14 116.97 120.99 2pfk h TYR 55 Ca 0.33 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2pfk h TYR 55 Cb -0.03 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.01 2pfk h TYR 55 CO -0.02 0.73 0.00 -1.13 -1.64 0.00 0.00 178.16 176.10 2pfk n SER 56 N -4.24 0.64 0.00 -2.11 3.41 -0.91 -3.04 113.62 107.37 2pfk n SER 56 Ca 0.03 0.70 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 2pfk n SER 56 Cb 0.27 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 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 -2.25 0.09 0.14 -3.33 0.24 -1.12 -4.86 118.33 107.24 2pfk n VAL 57 Ca 0.01 -0.38 0.18 0.00 -2.04 0.00 0.00 64.34 62.11 2pfk n VAL 57 Cb 0.16 1.24 0.65 0.00 -1.47 0.00 0.00 33.84 34.42 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 0.00 -0.00 -1.34 4.64 -1.30 -1.56 113.55 113.99 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 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2pfk h SER 58 CO 0.00 0.00 -0.02 -0.67 -0.87 0.00 0.00 176.83 175.27 2pfk n ASP 59 N -3.28 0.96 0.15 4.97 4.64 -1.26 -4.86 116.55 117.86 2pfk n ASP 59 Ca 0.06 -0.98 0.13 0.00 -1.38 0.00 0.00 54.79 52.62 2pfk n ASP 59 Cb 0.73 0.22 0.35 0.00 -1.04 0.00 0.00 41.12 41.38 2pfk n ASP 59 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 2pfk h MET 60 N 0.38 0.00 -0.59 -0.67 2.86 -1.62 -3.39 114.93 111.90 2pfk h MET 60 Ca 0.00 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.76 2pfk h MET 60 Cb 0.09 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 2pfk h MET 60 CO 0.00 0.00 0.40 0.97 1.06 0.00 0.00 176.91 179.34 2pfk h ILE 61 N 0.00 0.85 -0.44 -1.22 2.10 -1.85 -2.95 117.51 114.00 2pfk h ILE 61 Ca 0.00 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.83 2pfk h ILE 61 Cb 0.79 0.51 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 2pfk h ILE 61 CO 0.00 0.06 0.00 -0.46 -1.08 0.00 0.00 178.15 176.67 2pfk n ASN 62 N -4.46 3.42 -4.78 2.19 6.94 -1.26 -4.57 115.26 112.74 2pfk n ASN 62 Ca 0.10 -1.96 -0.38 0.00 -0.02 0.00 0.00 54.58 52.32 2pfk n ASN 62 Cb 0.44 -0.29 -0.06 0.00 -2.36 0.00 0.00 39.78 37.51 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 -1.27 4.19 0.81 -3.83 6.06 -1.11 -4.26 118.95 119.53 2pfk s ARG 63 Ca 0.37 0.58 -0.10 0.00 -2.50 0.00 0.00 55.73 54.09 2pfk s ARG 63 Cb 0.21 -3.31 0.12 0.00 0.06 0.00 0.00 34.95 32.03 2pfk s ARG 63 CO 0.29 0.47 1.14 0.20 -2.50 0.00 0.00 175.30 174.90 2pfk s GLY 64 N -0.47 1.71 0.00 8.12 0.00 -1.24 -4.41 107.32 111.03 2pfk s GLY 64 Ca 0.27 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.90 2pfk s GLY 64 CO 0.15 -0.53 0.00 0.61 0.00 0.00 0.00 173.10 173.33 2pfk n GLY 65 N -3.24 0.63 2.76 0.20 0.00 -1.26 -4.75 105.19 99.53 2pfk n GLY 65 Ca 0.11 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 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 0.26 0.39 2.61 -1.32 -1.26 -3.45 115.64 112.87 2pfk s THR 66 Ca 0.00 0.18 0.24 0.00 -1.21 0.00 0.00 61.69 60.89 2pfk s THR 66 Cb 0.00 -0.43 0.25 0.00 -1.51 0.00 0.00 72.50 70.82 2pfk s THR 66 CO 0.00 0.23 2.02 2.19 -2.21 0.00 0.00 174.62 176.85 2pfk h PHE 67 N 8.20 0.00 0.00 9.09 -5.15 -1.95 -1.76 116.94 125.37 2pfk h PHE 67 Ca -0.21 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.56 2pfk h PHE 67 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.30 2pfk h PHE 67 CO 0.48 0.16 -0.08 -0.07 -2.00 0.00 0.00 178.31 176.81 2pfk h LEU 68 N 0.00 0.00 -0.12 2.10 3.38 -1.96 -3.50 115.31 115.21 2pfk h LEU 68 Ca -0.00 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.03 2pfk h LEU 68 Cb 0.40 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2pfk h LEU 68 CO 0.02 0.01 -0.25 0.61 0.09 0.00 0.00 178.44 178.91 2pfk n GLY 69 N 1.22 -2.69 2.84 0.83 0.00 -0.66 -0.98 105.19 105.75 2pfk n GLY 69 Ca 0.05 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 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 -4.78 0.29 0.15 1.61 0.15 -1.26 -3.10 113.70 106.76 2pfk s SER 70 Ca 0.00 -0.02 0.01 0.00 0.70 0.00 0.00 55.95 56.64 2pfk s SER 70 Cb 0.00 -0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.14 2pfk s SER 70 CO 0.00 -0.06 0.00 0.00 1.20 0.00 0.00 173.24 174.38 2pfk s ALA 71 N 0.65 1.19 -0.20 5.45 0.00 -1.20 -4.90 121.76 122.75 2pfk s ALA 71 Ca -0.06 -1.53 -0.10 0.00 0.00 0.00 0.00 51.96 50.27 2pfk s ALA 71 Cb -0.09 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.54 2pfk s ALA 71 CO -0.01 -0.34 0.13 1.03 0.00 0.00 0.00 175.76 176.57 2pfk s ARG 72 N -3.93 4.19 -0.47 0.00 3.00 -1.26 -4.49 118.95 115.99 2pfk s ARG 72 Ca 0.22 -0.21 0.06 0.00 0.00 0.00 0.00 55.73 55.80 2pfk s ARG 72 Cb 0.06 -3.42 0.20 0.00 0.00 0.00 0.00 34.95 31.79 2pfk s ARG 72 CO 0.02 0.30 0.63 0.34 0.00 0.00 0.00 175.30 176.58 2pfk n PHE 73 N 3.53 -2.60 0.31 -0.53 7.35 -1.26 -4.90 117.46 119.35 2pfk n PHE 73 Ca -0.16 -2.19 0.16 0.00 -0.76 0.00 0.00 57.45 54.50 2pfk n PHE 73 Cb 0.52 0.98 0.72 0.00 0.35 0.00 0.00 39.48 42.04 2pfk n PHE 73 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 2pfk h PRO 74 N 4.90 0.00 -0.33 -7.13 0.11 -2.02 -2.47 132.00 125.07 2pfk h PRO 74 Ca 0.08 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.29 2pfk h PRO 74 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2pfk h PRO 74 CO 0.21 0.00 0.40 0.93 -0.21 0.00 0.00 178.00 179.33 2pfk h GLU 75 N 0.00 0.00 0.00 1.05 3.07 -1.97 -1.65 114.58 115.09 2pfk h GLU 75 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2pfk h GLU 75 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 2pfk h GLU 75 CO 0.00 0.00 0.00 0.35 -1.40 0.00 0.00 179.01 177.96 2pfk h PHE 76 N 0.00 0.00 -0.21 4.33 3.57 -1.84 -1.33 116.94 121.46 2pfk h PHE 76 Ca 0.16 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2pfk h PHE 76 Cb 0.96 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 2pfk h PHE 76 CO 0.00 0.00 0.02 0.00 -2.23 0.00 0.00 178.31 176.10 2pfk h ARG 77 N 0.00 0.37 -6.36 1.11 -0.00 -1.55 -3.43 114.38 104.51 2pfk h ARG 77 Ca 0.00 -0.11 -0.53 0.00 -0.50 0.00 0.00 59.98 58.84 2pfk h ARG 77 Cb 0.10 -0.04 0.01 0.00 0.00 0.00 0.00 29.97 30.05 2pfk h ARG 77 CO 0.00 0.53 1.16 0.34 0.00 0.00 0.00 179.97 182.01 2pfk s ASP 78 N -5.83 6.52 0.37 7.04 -1.08 -0.50 -4.89 116.67 118.29 2pfk s ASP 78 Ca -0.14 2.55 0.12 0.00 -0.52 0.00 0.00 52.55 54.57 2pfk s ASP 78 Cb 0.07 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.91 2pfk s ASP 78 CO 0.73 -1.00 1.83 -0.08 0.52 0.00 0.00 175.17 177.17 2pfk h GLU 79 N 9.91 0.57 0.20 4.34 4.22 -1.85 -2.38 114.58 129.59 2pfk h GLU 79 Ca -0.46 -0.03 0.01 0.00 0.08 0.00 0.00 59.36 58.96 2pfk h GLU 79 Cb 1.22 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 2pfk h GLU 79 CO 0.94 0.37 -0.36 -0.97 -2.18 0.00 0.00 179.01 176.82 2pfk h ASN 80 N 0.58 -1.02 -0.79 1.04 -1.24 -1.92 -2.30 115.58 109.92 2pfk h ASN 80 Ca 0.50 0.11 0.09 0.00 0.71 0.00 0.00 56.30 57.71 2pfk h ASN 80 Cb 0.99 0.37 -0.05 0.00 0.73 0.00 0.00 38.32 40.36 2pfk h ASN 80 CO -0.24 -0.46 0.52 0.40 -1.29 0.00 0.00 177.43 176.35 2pfk h ILE 81 N -0.64 0.96 0.00 2.57 2.04 -1.70 -0.53 117.51 120.20 2pfk h ILE 81 Ca 0.01 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2pfk h ILE 81 Cb 0.64 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2pfk h ILE 81 CO -0.16 0.14 0.00 0.54 0.00 0.00 0.00 178.15 178.67 2pfk n ARG 82 N -4.50 0.23 0.10 2.37 1.74 -1.12 -2.92 116.66 112.55 2pfk n ARG 82 Ca 0.13 0.22 -0.16 0.00 -0.77 0.00 0.00 57.85 57.27 2pfk n ARG 82 Cb 0.31 -1.78 -0.11 0.00 -1.02 0.00 0.00 32.46 29.86 2pfk n ARG 82 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pfk h ALA 83 N 2.54 0.16 -0.25 7.54 0.00 -0.51 -1.48 119.26 127.26 2pfk h ALA 83 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 54.91 53.98 2pfk h ALA 83 Cb 0.67 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2pfk h ALA 83 CO 0.00 0.91 -0.26 0.28 0.00 0.00 0.00 179.25 180.18 2pfk h VAL 84 N 0.12 1.27 -0.33 0.00 2.07 -1.51 0.55 116.25 118.42 2pfk h VAL 84 Ca -0.13 -1.28 -0.17 0.00 0.82 0.00 0.00 66.70 65.95 2pfk h VAL 84 Cb 1.87 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2pfk h VAL 84 CO 0.20 0.41 -0.46 0.00 0.02 0.00 0.00 177.57 177.73 2pfk h ALA 85 N 1.30 0.56 -0.28 1.67 0.00 -1.50 -1.92 119.26 119.08 2pfk h ALA 85 Ca 0.06 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 2pfk h ALA 85 Cb 0.68 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2pfk h ALA 85 CO 0.05 0.68 -0.19 0.82 0.00 0.00 0.00 179.25 180.61 2pfk h ILE 86 N 0.69 1.30 -0.75 0.00 2.04 -0.72 -0.46 117.51 119.62 2pfk h ILE 86 Ca 0.04 -1.32 0.10 0.00 1.00 0.00 0.00 64.86 64.67 2pfk h ILE 86 Cb 1.06 1.54 -0.07 0.00 -0.74 0.00 0.00 36.82 38.61 2pfk h ILE 86 CO 0.11 0.42 0.39 -0.33 0.00 0.00 0.00 178.15 178.74 2pfk h GLU 87 N 0.37 0.63 -0.12 2.37 5.08 0.21 -1.00 114.58 122.13 2pfk h GLU 87 Ca 0.06 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2pfk h GLU 87 Cb 0.73 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2pfk h GLU 87 CO 0.05 0.42 0.01 -0.91 -1.00 0.00 0.00 179.01 177.58 2pfk h ASN 88 N 0.65 0.20 0.22 1.42 2.35 -1.10 -2.02 115.58 117.29 2pfk h ASN 88 Ca 0.37 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2pfk h ASN 88 Cb 0.38 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 2pfk h ASN 88 CO -0.27 0.44 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.71 2pfk h LEU 89 N -0.05 -0.44 -0.47 1.61 3.38 -0.66 -1.29 115.31 117.38 2pfk h LEU 89 Ca 0.03 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.13 2pfk h LEU 89 Cb 0.34 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 2pfk h LEU 89 CO 0.00 -0.27 -0.23 0.50 0.09 0.00 0.00 178.44 178.54 2pfk h LYS 90 N -0.40 -0.12 -0.84 1.13 3.64 -1.25 -0.27 116.57 118.46 2pfk h LYS 90 Ca -0.01 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2pfk h LYS 90 Cb 0.36 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 2pfk h LYS 90 CO -0.01 -0.08 0.48 -0.22 -2.27 0.00 0.00 179.45 177.35 2pfk h LYS 91 N -0.13 1.15 -0.01 1.90 3.64 -1.13 -2.91 116.57 119.08 2pfk h LYS 91 Ca 0.22 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2pfk h LYS 91 Cb 0.47 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2pfk h LYS 91 CO -0.55 0.83 -0.16 0.54 -2.27 0.00 0.00 179.45 177.83 2pfk n ARG 92 N -4.35 1.02 -3.09 1.90 1.74 -0.51 -4.95 116.66 108.42 2pfk n ARG 92 Ca 0.09 -0.55 -0.14 0.00 -0.77 0.00 0.00 57.85 56.48 2pfk n ARG 92 Cb 0.08 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.09 2pfk n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pfk n GLY 93 N 1.28 -0.04 3.64 -0.13 0.00 -0.19 -5.01 105.19 104.73 2pfk n GLY 93 Ca 0.14 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.22 5.22 -0.08 -0.61 1.01 -0.91 -4.39 121.20 118.22 2pfk s ILE 94 Ca 0.22 0.56 -0.07 0.00 0.00 0.00 0.00 60.65 61.36 2pfk s ILE 94 Cb -0.10 -3.68 -0.28 0.00 0.01 0.00 0.00 42.46 38.42 2pfk s ILE 94 CO 0.47 0.23 0.54 0.44 0.00 0.00 0.00 174.94 176.62 2pfk h ASP 95 N 7.75 0.46 -5.55 3.58 3.32 -1.23 -3.43 116.42 121.32 2pfk h ASP 95 Ca -0.34 -0.84 -0.22 0.00 0.02 0.00 0.00 57.03 55.64 2pfk h ASP 95 Cb 1.16 -0.15 -0.14 0.00 0.22 0.00 0.00 39.33 40.42 2pfk h ASP 95 CO 0.67 1.74 -0.57 0.00 -1.72 0.00 0.00 179.24 179.36 2pfk s ALA 96 N -2.57 1.02 0.00 3.45 0.00 -1.23 -3.87 121.76 118.56 2pfk s ALA 96 Ca -0.18 -1.61 0.02 0.00 0.00 0.00 0.00 51.96 50.19 2pfk s ALA 96 Cb 0.06 1.36 -0.01 0.00 0.00 0.00 0.00 23.12 24.53 2pfk s ALA 96 CO 0.81 -0.62 -0.08 -0.51 0.00 0.00 0.00 175.76 175.37 2pfk s LEU 97 N -3.15 2.04 -0.26 0.00 1.02 -0.70 -1.76 118.68 115.87 2pfk s LEU 97 Ca 0.37 -0.18 -0.03 0.00 0.02 0.00 0.00 54.13 54.31 2pfk s LEU 97 Cb 0.06 -0.38 0.02 0.00 0.02 0.00 0.00 46.19 45.92 2pfk s LEU 97 CO 0.12 0.07 -0.02 -0.69 0.02 0.00 0.00 176.35 175.84 2pfk s VAL 98 N -0.30 3.17 -0.14 -1.59 1.01 -0.60 -1.49 120.40 120.47 2pfk s VAL 98 Ca 0.02 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 2pfk s VAL 98 Cb -0.04 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 2pfk s VAL 98 CO -0.00 0.15 0.00 -0.69 0.00 0.00 0.00 175.10 174.56 2pfk s VAL 99 N 1.37 4.26 -0.16 2.92 1.01 0.56 -2.51 120.40 127.85 2pfk s VAL 99 Ca 0.01 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2pfk s VAL 99 Cb -0.17 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.38 2pfk s VAL 99 CO -0.02 0.53 -0.19 -0.63 0.00 0.00 0.00 175.10 174.78 2pfk s ILE 100 N -0.08 1.93 -4.14 2.22 1.01 0.01 0.37 121.20 122.52 2pfk s ILE 100 Ca 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2pfk s ILE 100 Cb -0.13 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.60 2pfk s ILE 100 CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.09 2pfk n GLY 101 N 4.49 -0.51 2.84 6.18 0.00 -0.05 -0.46 105.19 117.68 2pfk n GLY 101 Ca -0.20 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.11 0.36 -0.02 0.00 -1.22 -1.21 105.19 102.00 2pfk n GLY 102 Ca 0.00 -1.74 0.01 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.16 0.95 -0.59 1.61 -0.00 -1.94 -1.12 116.42 114.17 2pfk h ASP 103 Ca -0.31 -0.01 0.11 0.00 -0.00 0.00 0.00 57.03 56.82 2pfk h ASP 103 Cb 0.87 -0.22 -0.12 0.00 -0.00 0.00 0.00 39.33 39.87 2pfk h ASP 103 CO 0.23 0.66 -0.29 1.23 -0.00 0.00 0.00 179.24 181.06 2pfk h GLY 104 N 1.10 0.03 2.00 7.15 0.00 -1.97 -0.50 103.07 110.89 2pfk h GLY 104 Ca 0.34 0.38 -0.02 0.00 0.00 0.00 0.00 47.33 48.03 2pfk h GLY 104 CO -0.10 -0.22 -0.11 1.48 0.00 0.00 0.00 176.54 177.59 2pfk h SER 105 N -0.13 0.00 -0.01 0.19 4.64 -1.52 -2.63 113.55 114.09 2pfk h SER 105 Ca 0.25 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.45 2pfk h SER 105 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 2pfk h SER 105 CO -0.67 0.11 -0.37 1.88 -0.87 0.00 0.00 176.83 176.91 2pfk h TYR 106 N 0.00 0.59 0.13 4.77 -1.99 -0.94 -3.07 116.97 116.47 2pfk h TYR 106 Ca -0.00 -0.16 0.02 0.00 2.00 0.00 0.00 58.73 60.59 2pfk h TYR 106 Cb 0.36 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 38.93 2pfk h TYR 106 CO 0.00 0.81 -0.28 0.52 -0.00 0.00 0.00 178.16 179.21 2pfk h MET 107 N 0.42 -0.48 -0.08 4.88 2.86 -1.29 -0.21 114.93 121.02 2pfk h MET 107 Ca 0.04 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 2pfk h MET 107 Cb 0.84 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.61 2pfk h MET 107 CO 0.07 -0.32 0.08 0.78 1.06 0.00 0.00 176.91 178.58 2pfk h GLY 108 N -0.50 0.00 2.00 8.32 0.00 -1.67 0.29 103.07 111.50 2pfk h GLY 108 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 2pfk h GLY 108 CO -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 176.54 176.17 2pfk h ALA 109 N 1.91 0.89 0.06 3.60 0.00 -0.98 -2.55 119.26 122.19 2pfk h ALA 109 Ca 0.04 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2pfk h ALA 109 Cb 0.20 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2pfk h ALA 109 CO -0.00 0.27 -0.36 1.98 0.00 0.00 0.00 179.25 181.14 2pfk h MET 110 N 0.00 0.13 -0.34 0.00 4.05 0.57 -2.97 114.93 116.37 2pfk h MET 110 Ca -0.00 -0.22 0.08 0.00 -0.28 0.00 0.00 59.70 59.28 2pfk h MET 110 Cb 1.05 0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 31.85 2pfk h MET 110 CO 0.03 1.10 -0.21 0.00 0.23 0.00 0.00 176.91 178.06 2pfk h ARG 111 N -0.73 -0.16 -0.30 0.39 2.47 -1.28 -1.65 114.38 113.11 2pfk h ARG 111 Ca -0.06 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2pfk h ARG 111 Cb 1.28 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.62 2pfk h ARG 111 CO 0.06 -0.11 0.20 -0.07 0.56 0.00 0.00 179.97 180.61 2pfk h LEU 112 N -0.16 0.35 -0.10 3.04 3.38 -1.56 -2.26 115.31 117.99 2pfk h LEU 112 Ca 0.17 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2pfk h LEU 112 Cb 0.43 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2pfk h LEU 112 CO -0.44 0.26 -0.12 0.74 0.09 0.00 0.00 178.44 178.97 2pfk h THR 113 N 0.41 1.37 -0.93 0.22 2.02 -1.12 0.24 112.91 115.12 2pfk h THR 113 Ca 0.11 -1.29 0.13 0.00 0.77 0.00 0.00 66.41 66.12 2pfk h THR 113 Cb -0.04 1.99 -0.07 0.00 -1.74 0.00 0.00 68.15 68.28 2pfk h THR 113 CO -0.02 0.37 0.60 -0.33 0.37 0.00 0.00 175.52 176.50 2pfk h GLU 114 N -0.15 0.82 -0.00 6.66 5.08 -0.85 0.88 114.58 127.02 2pfk h GLU 114 Ca 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2pfk h GLU 114 Cb 0.65 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2pfk h GLU 114 CO 0.03 0.54 0.00 -1.33 -1.00 0.00 0.00 179.01 177.25 2pfk n MET 115 N -4.58 1.03 -0.01 2.33 2.81 -0.90 -4.91 117.12 112.88 2pfk n MET 115 Ca 0.18 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 2pfk n MET 115 Cb 0.39 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 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 0.90 0.99 2.97 3.03 0.00 0.30 -5.07 105.19 108.31 2pfk n GLY 116 Ca 0.18 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 2.17 -0.24 1.61 0.40 0.06 -5.01 117.98 114.97 2pfk s PHE 117 Ca 0.00 -1.38 -0.29 0.00 -0.60 0.00 0.00 56.93 54.66 2pfk s PHE 117 Cb 0.00 -1.54 -0.01 0.00 0.51 0.00 0.00 43.02 41.98 2pfk s PHE 117 CO 0.00 -0.69 1.45 -1.25 0.70 0.00 0.00 175.22 175.42 2pfk s PRO 118 N 1.48 3.90 0.05 0.24 0.04 -1.25 -2.64 135.00 136.82 2pfk s PRO 118 Ca 0.00 1.50 -0.00 0.00 0.04 0.00 0.00 61.00 62.54 2pfk s PRO 118 Cb -0.15 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.41 2pfk s PRO 118 CO -0.08 -1.15 0.19 0.00 0.04 0.00 0.00 177.00 175.99 2pfk s ILE 120 N -1.46 1.32 -0.11 0.00 -1.09 -0.56 -1.52 121.20 117.77 2pfk s ILE 120 Ca 0.33 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 2pfk s ILE 120 Cb -0.13 -1.14 -0.02 0.00 -1.58 0.00 0.00 42.46 39.59 2pfk s ILE 120 CO 0.26 0.39 -0.13 -0.83 -1.23 0.00 0.00 174.94 173.39 2pfk s GLY 121 N 0.17 1.55 -0.10 6.18 0.00 -0.77 -0.32 107.32 114.03 2pfk s GLY 121 Ca -0.06 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.76 2pfk s GLY 121 CO 0.02 -0.31 -0.12 1.08 0.00 0.00 0.00 173.10 173.78 2pfk s LEU 122 N 0.11 2.82 -0.51 0.66 1.43 0.16 -0.80 118.68 122.55 2pfk s LEU 122 Ca -0.06 -0.23 -0.28 0.00 -1.03 0.00 0.00 54.13 52.53 2pfk s LEU 122 Cb -0.15 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.46 2pfk s LEU 122 CO 0.05 0.24 1.49 -2.16 0.23 0.00 0.00 176.35 176.20 2pfk s PRO 123 N -0.11 3.30 -0.33 1.29 0.04 -1.26 -0.87 135.00 137.06 2pfk s PRO 123 Ca -0.01 0.66 0.03 0.00 0.04 0.00 0.00 61.00 61.72 2pfk s PRO 123 Cb -0.14 -4.13 0.10 0.00 0.04 0.00 0.00 34.50 30.37 2pfk s PRO 123 CO 0.03 -1.92 0.05 0.20 0.04 0.00 0.00 177.00 175.40 2pfk s GLY 124 N 4.79 1.74 -0.18 0.56 0.00 -0.35 -0.96 107.32 112.92 2pfk s GLY 124 Ca 0.58 -2.31 -0.29 0.00 0.00 0.00 0.00 44.72 42.70 2pfk s GLY 124 CO 0.27 1.06 0.97 -1.08 0.00 0.00 0.00 173.10 174.32 2pfk s THR 125 N 1.06 0.00 0.02 0.90 -1.32 -0.59 -3.39 115.64 112.33 2pfk s THR 125 Ca 0.10 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.70 2pfk s THR 125 Cb -0.19 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.76 2pfk s THR 125 CO -0.11 0.00 1.43 0.16 -2.21 0.00 0.00 174.62 173.89 2pfk h ILE 126 N 2.85 1.24 -0.00 5.08 3.07 -1.82 -3.24 117.51 124.69 2pfk h ILE 126 Ca -0.21 -2.59 0.00 0.00 1.55 0.00 0.00 64.86 63.61 2pfk h ILE 126 Cb 1.16 2.50 0.00 0.00 -0.27 0.00 0.00 36.82 40.22 2pfk h ILE 126 CO 0.27 0.67 -0.07 -0.90 -1.05 0.00 0.00 178.15 177.08 2pfk n ASP 127 N -3.36 0.18 0.00 2.16 3.85 -1.26 -3.93 116.55 114.19 2pfk n ASP 127 Ca 0.01 -0.19 0.00 0.00 -0.71 0.00 0.00 54.79 53.90 2pfk n ASP 127 Cb 0.78 -0.22 0.00 0.00 -1.35 0.00 0.00 41.12 40.33 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 -1.23 -3.34 -2.73 -1.12 5.15 -1.26 -4.52 115.26 106.21 2pfk n ASN 128 Ca 0.13 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.83 2pfk n ASN 128 Cb 0.27 -1.79 -0.08 0.00 -0.53 0.00 0.00 39.78 37.65 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 -0.37 7.07 -3.75 1.20 2.03 -1.26 -4.74 116.55 116.73 2pfk n ASP 129 Ca 0.00 -2.68 -0.15 0.00 0.52 0.00 0.00 54.79 52.48 2pfk n ASP 129 Cb 0.18 -1.44 -0.16 0.00 -0.72 0.00 0.00 41.12 38.99 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 0.80 -0.07 0.17 5.18 1.01 -1.26 -4.78 121.20 122.24 2pfk s ILE 130 Ca 0.66 0.23 -0.29 0.00 0.00 0.00 0.00 60.65 61.25 2pfk s ILE 130 Cb 0.26 -0.16 -0.07 0.00 0.01 0.00 0.00 42.46 42.49 2pfk s ILE 130 CO -0.06 0.10 0.91 -0.54 0.00 0.00 0.00 174.94 175.35 2pfk s LYS 131 N 1.29 4.73 0.00 2.79 3.01 -1.26 -3.87 119.74 126.42 2pfk s LYS 131 Ca -0.07 1.40 0.00 0.00 -1.01 0.00 0.00 55.97 56.29 2pfk s LYS 131 Cb -0.12 -3.32 0.00 0.00 -1.01 0.00 0.00 37.83 33.37 2pfk s LYS 131 CO -0.04 0.39 0.00 0.41 0.51 0.00 0.00 175.35 176.62 2pfk n GLY 132 N 1.87 0.81 3.12 -3.33 0.00 -1.26 -4.79 105.19 101.60 2pfk n GLY 132 Ca -0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 0.02 0.11 2.61 -1.32 -1.25 -4.29 115.64 109.52 2pfk s THR 133 Ca 0.00 -0.15 -0.17 0.00 -1.21 0.00 0.00 61.69 60.17 2pfk s THR 133 Cb 0.00 -0.36 -0.04 0.00 -1.51 0.00 0.00 72.50 70.59 2pfk s THR 133 CO 0.00 -0.08 1.62 0.44 -2.21 0.00 0.00 174.62 174.38 2pfk h ASP 134 N 5.40 0.52 -4.01 8.08 5.19 -0.64 -3.45 116.42 127.50 2pfk h ASP 134 Ca -0.27 -0.23 -0.26 0.00 -0.62 0.00 0.00 57.03 55.65 2pfk h ASP 134 Cb 1.19 -0.14 -0.27 0.00 0.18 0.00 0.00 39.33 40.30 2pfk h ASP 134 CO 0.37 0.61 -0.73 -0.31 -3.12 0.00 0.00 179.24 176.06 2pfk s TYR 135 N -5.31 0.25 0.33 4.55 2.02 -1.26 -5.08 117.35 112.85 2pfk s TYR 135 Ca -0.13 -0.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.46 2pfk s TYR 135 Cb 0.09 -0.16 -0.02 0.00 -0.40 0.00 0.00 41.96 41.46 2pfk s TYR 135 CO 0.75 -0.03 0.50 0.95 -1.57 0.00 0.00 175.55 176.16 2pfk s THR 136 N -0.31 4.84 -0.16 -0.71 -4.23 -1.26 -4.65 115.64 109.16 2pfk s THR 136 Ca -0.02 -0.69 -0.29 0.00 -1.18 0.00 0.00 61.69 59.51 2pfk s THR 136 Cb -0.03 -3.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.05 2pfk s THR 136 CO -0.00 -0.41 1.38 -0.63 -0.54 0.00 0.00 174.62 174.43 2pfk s ILE 137 N -2.24 4.06 0.00 2.99 1.01 -0.13 -3.37 121.20 123.52 2pfk s ILE 137 Ca 0.40 1.27 0.00 0.00 0.00 0.00 0.00 60.65 62.32 2pfk s ILE 137 Cb -0.09 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.50 2pfk s ILE 137 CO 0.34 -0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.71 2pfk n GLY 138 N 3.90 1.51 0.25 6.18 0.00 -1.16 -1.54 105.19 114.33 2pfk n GLY 138 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.56 -0.53 1.61 3.04 -1.57 -0.99 116.94 117.94 2pfk h PHE 139 Ca 0.00 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 2pfk h PHE 139 Cb 0.00 0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.69 2pfk h PHE 139 CO 0.00 -0.32 0.22 0.74 -2.02 0.00 0.00 178.31 176.93 2pfk h PHE 140 N -0.50 0.76 -0.15 0.41 0.04 -1.88 -1.77 116.94 113.85 2pfk h PHE 140 Ca -0.02 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 2pfk h PHE 140 Cb 0.44 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 2pfk h PHE 140 CO -0.12 0.58 -0.01 1.15 -0.60 0.00 0.00 178.31 179.32 2pfk h THR 141 N 0.75 1.26 -0.87 -1.55 2.02 -1.86 -2.94 112.91 109.73 2pfk h THR 141 Ca 0.18 -0.87 0.01 0.00 0.77 0.00 0.00 66.41 66.50 2pfk h THR 141 Cb 0.14 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 2pfk h THR 141 CO -0.02 0.26 0.57 0.00 0.37 0.00 0.00 175.52 176.70 2pfk h ALA 142 N 0.75 1.36 -0.98 6.16 0.00 -0.87 -2.62 119.26 123.05 2pfk h ALA 142 Ca 0.04 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2pfk h ALA 142 Cb 0.40 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2pfk h ALA 142 CO 0.01 0.59 0.65 1.25 0.00 0.00 0.00 179.25 181.74 2pfk h LEU 143 N 1.19 1.08 -0.32 0.00 5.85 -1.27 -0.76 115.31 121.08 2pfk h LEU 143 Ca 0.32 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.97 2pfk h LEU 143 Cb -0.12 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.65 2pfk h LEU 143 CO -0.07 0.74 -0.04 0.28 -0.34 0.00 0.00 178.44 179.01 2pfk h SER 144 N 1.25 0.59 0.18 1.25 0.02 -1.29 0.71 113.55 116.25 2pfk h SER 144 Ca 0.39 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2pfk h SER 144 Cb -0.01 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 2pfk h SER 144 CO -0.12 0.79 -0.10 0.74 -1.14 0.00 0.00 176.83 177.00 2pfk h THR 145 N 0.37 0.80 0.22 -2.27 2.02 -1.13 -1.24 112.91 111.69 2pfk h THR 145 Ca 0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 2pfk h THR 145 Cb 0.51 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2pfk h THR 145 CO 0.02 0.00 -0.11 0.58 0.37 0.00 0.00 175.52 176.39 2pfk h VAL 146 N -0.25 0.81 -0.89 3.16 2.07 -1.11 -1.83 116.25 118.21 2pfk h VAL 146 Ca -0.02 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2pfk h VAL 146 Cb 0.20 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2pfk h VAL 146 CO 0.03 0.03 0.47 0.58 0.02 0.00 0.00 177.57 178.70 2pfk h VAL 147 N -0.37 1.26 -0.51 2.57 2.07 -0.79 0.04 116.25 120.53 2pfk h VAL 147 Ca -0.03 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 66.85 2pfk h VAL 147 Cb 0.28 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 2pfk h VAL 147 CO 0.05 0.30 0.27 -0.08 0.02 0.00 0.00 177.57 178.13 2pfk h GLU 148 N 1.25 0.51 -0.68 1.57 4.81 -1.11 0.31 114.58 121.24 2pfk h GLU 148 Ca 0.31 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.43 2pfk h GLU 148 Cb 0.06 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 2pfk h GLU 148 CO -0.05 0.34 0.13 0.00 -0.73 0.00 0.00 179.01 178.70 2pfk h ALA 149 N 1.26 0.94 -0.20 2.92 0.00 -0.96 -1.91 119.26 121.31 2pfk h ALA 149 Ca 0.22 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2pfk h ALA 149 Cb 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2pfk h ALA 149 CO -0.14 0.67 -0.31 0.82 0.00 0.00 0.00 179.25 180.29 2pfk h ILE 150 N 1.05 1.28 -0.51 0.00 2.04 0.70 -1.39 117.51 120.67 2pfk h ILE 150 Ca 0.21 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.70 2pfk h ILE 150 Cb 0.42 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 2pfk h ILE 150 CO 0.01 0.42 0.21 0.44 0.00 0.00 0.00 178.15 179.23 2pfk h ASP 151 N 0.35 0.69 -0.33 1.72 3.32 -0.01 -0.90 116.42 121.27 2pfk h ASP 151 Ca 0.05 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 2pfk h ASP 151 Cb 0.72 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2pfk h ASP 151 CO 0.05 0.66 -0.13 0.03 -1.72 0.00 0.00 179.24 178.14 2pfk h ARG 152 N 0.68 0.77 -0.26 3.56 3.08 -0.88 -2.55 114.38 118.77 2pfk h ARG 152 Ca 0.17 -0.26 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 2pfk h ARG 152 Cb 0.18 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2pfk h ARG 152 CO -0.02 0.86 -0.21 -0.07 -1.07 0.00 0.00 179.97 179.46 2pfk h LEU 153 N 0.69 0.47 -0.53 3.04 3.38 -1.04 -2.87 115.31 118.44 2pfk h LEU 153 Ca 0.11 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 2pfk h LEU 153 Cb 0.61 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2pfk h LEU 153 CO 0.04 0.69 -0.22 -0.09 0.09 0.00 0.00 178.44 178.94 2pfk h ARG 154 N 0.42 0.95 0.10 1.13 9.65 -0.85 0.11 114.38 125.89 2pfk h ARG 154 Ca 0.07 -0.41 0.00 0.00 -1.10 0.00 0.00 59.98 58.55 2pfk h ARG 154 Cb 0.61 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 2pfk h ARG 154 CO 0.04 1.07 -0.10 -0.44 2.80 0.00 0.00 179.97 183.34 2pfk h ASP 155 N 0.82 -0.27 -0.13 -3.80 3.32 -1.24 -1.78 116.42 113.34 2pfk h ASP 155 Ca 0.11 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 2pfk h ASP 155 Cb 0.79 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2pfk h ASP 155 CO 0.07 -0.16 -0.31 0.00 -1.72 0.00 0.00 179.24 177.12 2pfk h THR 156 N -0.22 1.37 -0.86 0.35 1.03 -1.52 -2.38 112.91 110.67 2pfk h THR 156 Ca 0.01 -1.59 0.03 0.00 -0.01 0.00 0.00 66.41 64.85 2pfk h THR 156 Cb 0.22 2.06 -0.05 0.00 -1.07 0.00 0.00 68.15 69.32 2pfk h THR 156 CO -0.04 0.47 0.57 0.28 -0.01 0.00 0.00 175.52 176.79 2pfk h SER 157 N 0.03 0.93 0.54 0.00 0.02 -0.76 -2.54 113.55 111.77 2pfk h SER 157 Ca -0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2pfk h SER 157 Cb 0.91 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.24 2pfk h SER 157 CO 0.07 0.64 -0.26 -1.28 -1.14 0.00 0.00 176.83 174.86 2pfk h SER 158 N 1.08 -0.61 -0.92 3.07 0.87 -1.34 0.26 113.55 115.95 2pfk h SER 158 Ca 0.34 -0.01 0.14 0.00 -1.23 0.00 0.00 61.79 61.04 2pfk h SER 158 Cb 0.01 0.16 -0.09 0.00 -0.44 0.00 0.00 62.40 62.03 2pfk h SER 158 CO -0.10 -0.39 0.53 0.28 -0.53 0.00 0.00 176.83 176.62 2pfk h SER 159 N -0.78 0.71 -0.19 6.23 0.02 -1.10 -3.14 113.55 115.30 2pfk h SER 159 Ca -0.07 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2pfk h SER 159 Cb 0.58 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2pfk h SER 159 CO 0.12 0.32 0.00 1.41 -1.14 0.00 0.00 176.83 177.54 2pfk n HIS 160 N -4.77 0.24 -3.56 3.45 8.25 -0.99 -5.03 115.22 112.82 2pfk n HIS 160 Ca 0.19 -0.24 -0.24 0.00 -0.26 0.00 0.00 57.72 57.17 2pfk n HIS 160 Cb 0.43 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.57 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 0.66 -2.60 -4.40 -0.41 6.02 0.01 -5.01 117.38 111.64 2pfk n GLN 161 Ca 0.10 0.62 -0.24 0.00 -0.01 0.00 0.00 57.00 57.47 2pfk n GLN 161 Cb 0.37 -4.92 -0.09 0.00 1.02 0.00 0.00 30.24 26.62 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 -5.53 1.94 -0.19 -1.09 0.52 -0.77 -4.57 118.95 109.27 2pfk s ARG 162 Ca 0.33 -1.63 -0.08 0.00 -0.52 0.00 0.00 55.73 53.83 2pfk s ARG 162 Cb -0.09 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 2pfk s ARG 162 CO 0.81 0.34 0.07 0.42 0.02 0.00 0.00 175.30 176.96 2pfk s ILE 163 N -2.44 4.89 -0.08 1.52 1.01 -0.48 -2.38 121.20 123.24 2pfk s ILE 163 Ca 0.31 0.00 0.05 0.00 0.00 0.00 0.00 60.65 61.00 2pfk s ILE 163 Cb -0.05 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 2pfk s ILE 163 CO 0.17 0.46 -0.24 -0.55 0.00 0.00 0.00 174.94 174.78 2pfk s SER 164 N 0.37 3.16 -0.20 3.58 0.15 0.14 -2.12 113.70 118.77 2pfk s SER 164 Ca 0.04 -0.52 -0.02 0.00 0.70 0.00 0.00 55.95 56.15 2pfk s SER 164 Cb -0.12 -1.19 0.01 0.00 -1.71 0.00 0.00 66.02 63.00 2pfk s SER 164 CO -0.00 0.20 -0.11 -0.69 1.20 0.00 0.00 173.24 173.83 2pfk s VAL 165 N 0.13 2.78 -0.15 4.45 1.01 0.28 -1.10 120.40 127.80 2pfk s VAL 165 Ca -0.12 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2pfk s VAL 165 Cb -0.16 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 33.98 2pfk s VAL 165 CO 0.07 0.47 -0.18 -0.69 0.00 0.00 0.00 175.10 174.76 2pfk s VAL 166 N 1.39 2.42 -0.38 2.92 1.01 -0.44 -0.66 120.40 126.67 2pfk s VAL 166 Ca 0.05 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 2pfk s VAL 166 Cb -0.14 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.25 2pfk s VAL 166 CO -0.08 0.53 0.36 -0.70 0.00 0.00 0.00 175.10 175.21 2pfk s GLU 167 N 0.77 3.31 0.30 2.72 2.12 -0.69 -1.41 118.70 125.83 2pfk s GLU 167 Ca -0.07 -0.65 -0.04 0.00 0.36 0.00 0.00 54.97 54.57 2pfk s GLU 167 Cb -0.16 -3.88 -0.05 0.00 0.26 0.00 0.00 34.13 30.30 2pfk s GLU 167 CO -0.00 -0.65 0.55 0.08 -0.54 0.00 0.00 175.26 174.70 2pfk s VAL 168 N 1.96 5.04 0.72 3.70 1.01 -0.39 -3.46 120.40 128.97 2pfk s VAL 168 Ca 0.10 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 2pfk s VAL 168 Cb -0.17 -3.75 0.04 0.00 0.00 0.00 0.00 36.38 32.50 2pfk s VAL 168 CO 0.12 -0.36 1.07 -0.04 0.00 0.00 0.00 175.10 175.89 2pfk s MET 169 N -3.68 2.44 0.00 2.72 -1.94 -1.26 -1.16 119.30 116.42 2pfk s MET 169 Ca 0.43 0.12 0.00 0.00 -1.71 0.00 0.00 55.69 54.53 2pfk s MET 169 Cb -0.11 -2.07 0.00 0.00 2.01 0.00 0.00 34.83 34.66 2pfk s MET 169 CO 0.31 -1.20 0.00 0.41 -0.01 0.00 0.00 175.02 174.53 2pfk n GLY 170 N -3.02 0.76 0.29 -0.03 0.00 -1.26 -4.59 105.19 97.34 2pfk n GLY 170 Ca 0.07 -0.66 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 2pfk n GLY 170 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pfk h ARG 171 N 0.00 -0.05 -0.33 1.61 2.43 -1.91 -2.97 114.38 113.16 2pfk h ARG 171 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2pfk h ARG 171 Cb 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2pfk h ARG 171 CO 0.00 -0.04 0.00 0.66 -1.51 0.00 0.00 179.97 179.08 2pfk n TYR 172 N -5.45 0.43 -3.68 2.20 4.02 -1.26 -4.88 117.16 108.54 2pfk n TYR 172 Ca 0.07 -0.29 -0.22 0.00 -0.01 0.00 0.00 57.90 57.45 2pfk n TYR 172 Cb 0.35 -0.01 -0.18 0.00 -0.02 0.00 0.00 39.34 39.49 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 5.26 -0.92 0.42 0.00 0.00 -1.26 -4.28 105.19 104.41 2pfk n GLY 174 Ca -0.04 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 0.47 -1.64 -0.40 1.61 5.19 -1.93 0.35 116.42 120.07 2pfk h ASP 175 Ca 0.00 0.24 0.04 0.00 -0.62 0.00 0.00 57.03 56.69 2pfk h ASP 175 Cb 0.23 0.71 -0.04 0.00 0.18 0.00 0.00 39.33 40.41 2pfk h ASP 175 CO 0.00 -0.36 0.17 0.25 -3.12 0.00 0.00 179.24 176.18 2pfk h LEU 176 N -0.30 0.22 -0.50 1.55 5.85 -1.79 0.08 115.31 120.42 2pfk h LEU 176 Ca 0.13 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2pfk h LEU 176 Cb 0.58 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 2pfk h LEU 176 CO -0.64 0.17 0.32 0.74 -0.34 0.00 0.00 178.44 178.68 2pfk h THR 177 N 0.35 1.14 -0.11 1.05 2.02 -1.58 0.16 112.91 115.95 2pfk h THR 177 Ca 0.18 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 2pfk h THR 177 Cb 0.12 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2pfk h THR 177 CO -0.15 0.14 0.06 0.25 0.37 0.00 0.00 175.52 176.19 2pfk h LEU 178 N 0.67 0.13 -0.32 2.58 5.85 -0.07 0.70 115.31 124.85 2pfk h LEU 178 Ca 0.18 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.84 2pfk h LEU 178 Cb -0.05 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2pfk h LEU 178 CO -0.04 0.16 0.18 0.00 -0.34 0.00 0.00 178.44 178.41 2pfk h ALA 179 N 0.97 0.39 -0.55 1.25 0.00 -0.87 -1.80 119.26 118.65 2pfk h ALA 179 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2pfk h ALA 179 Cb 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2pfk h ALA 179 CO -0.01 -0.18 0.31 0.00 0.00 0.00 0.00 179.25 179.38 2pfk h ALA 180 N 1.14 0.70 -0.85 0.00 0.00 -0.66 0.77 119.26 120.37 2pfk h ALA 180 Ca 0.12 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2pfk h ALA 180 Cb 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 2pfk h ALA 180 CO -0.06 0.21 0.54 0.00 0.00 0.00 0.00 179.25 179.94 2pfk h ALA 181 N 1.15 1.13 -0.08 0.00 0.00 0.72 0.58 119.26 122.76 2pfk h ALA 181 Ca 0.19 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2pfk h ALA 181 Cb 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2pfk h ALA 181 CO -0.03 0.36 -0.23 0.82 0.00 0.00 0.00 179.25 180.17 2pfk h ILE 182 N 1.04 1.42 -0.06 0.00 2.04 -0.81 0.30 117.51 121.44 2pfk h ILE 182 Ca 0.35 -1.58 -0.05 0.00 1.00 0.00 0.00 64.86 64.57 2pfk h ILE 182 Cb 0.04 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 2pfk h ILE 182 CO -0.13 0.45 -0.20 0.00 0.00 0.00 0.00 178.15 178.28 2pfk h ALA 183 N 0.47 1.57 0.00 1.87 0.00 -0.68 -2.77 119.26 119.71 2pfk h ALA 183 Ca -0.01 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 2pfk h ALA 183 Cb 0.85 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2pfk h ALA 183 CO 0.05 0.32 -0.67 0.78 0.00 0.00 0.00 179.25 179.73 2pfk h GLY 184 N 0.72 0.00 0.00 0.00 0.00 0.21 -3.48 103.07 100.52 2pfk h GLY 184 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2pfk h GLY 184 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 2pfk n GLY 185 N 1.26 0.46 3.73 4.60 0.00 0.06 -4.92 105.19 110.37 2pfk n GLY 185 Ca 0.00 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 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 5.97 0.22 -5.28 0.00 9.09 -1.76 -3.45 114.58 119.38 2pfk h GLU 187 Ca -0.44 -0.16 -0.44 0.00 0.05 0.00 0.00 59.36 58.37 2pfk h GLU 187 Cb 1.21 0.03 -0.25 0.00 -1.65 0.00 0.00 28.75 28.09 2pfk h GLU 187 CO 0.84 0.79 -0.79 -0.06 0.05 0.00 0.00 179.01 179.85 2pfk s PHE 188 N -3.65 1.19 -0.01 2.06 0.08 -1.20 -5.06 117.98 111.39 2pfk s PHE 188 Ca -0.04 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 56.64 2pfk s PHE 188 Cb 0.12 -0.71 -0.00 0.00 -0.57 0.00 0.00 43.02 41.86 2pfk s PHE 188 CO 0.80 0.03 0.04 0.54 -0.10 0.00 0.00 175.22 176.53 2pfk s VAL 189 N -0.85 0.03 -0.21 -0.44 0.11 -1.26 -1.71 120.40 116.07 2pfk s VAL 189 Ca 0.01 -0.28 -0.02 0.00 -2.93 0.00 0.00 61.98 58.76 2pfk s VAL 189 Cb -0.08 -0.16 0.06 0.00 -1.53 0.00 0.00 36.38 34.67 2pfk s VAL 189 CO 0.01 -0.16 0.02 -0.69 -3.33 0.00 0.00 175.10 170.96 2pfk s VAL 190 N -0.47 0.75 0.24 2.04 1.01 -0.27 -4.97 120.40 118.73 2pfk s VAL 190 Ca -0.05 -0.75 0.11 0.00 0.00 0.00 0.00 61.98 61.28 2pfk s VAL 190 Cb -0.03 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 2pfk s VAL 190 CO -0.00 -0.22 -0.13 0.68 0.00 0.00 0.00 175.10 175.43 2pfk s VAL 191 N 1.75 2.88 -0.14 2.92 -7.23 -1.26 -1.66 120.40 117.66 2pfk s VAL 191 Ca -0.01 -2.06 0.30 0.00 -1.81 0.00 0.00 61.98 58.40 2pfk s VAL 191 Cb -0.17 -2.49 0.35 0.00 0.56 0.00 0.00 36.38 34.63 2pfk s VAL 191 CO -0.09 -0.29 1.87 1.55 -0.31 0.00 0.00 175.10 177.83 2pfk h PRO 192 N 2.43 0.00 0.00 4.82 0.13 -1.94 -3.06 132.00 134.39 2pfk h PRO 192 Ca -0.44 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 2pfk h PRO 192 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2pfk h PRO 192 CO 0.57 0.00 -0.29 0.93 -0.23 0.00 0.00 178.00 178.98 2pfk h GLU 193 N 0.00 0.00 -6.30 0.86 3.07 -1.96 -3.44 114.58 106.81 2pfk h GLU 193 Ca 0.00 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.18 2pfk h GLU 193 Cb 0.54 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 28.25 2pfk h GLU 193 CO 0.00 0.29 -0.74 0.08 -1.40 0.00 0.00 179.01 177.24 2pfk s VAL 194 N -3.79 3.35 0.26 3.13 1.01 -1.16 -5.08 120.40 118.13 2pfk s VAL 194 Ca -0.01 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 2pfk s VAL 194 Cb 0.12 -2.38 -0.09 0.00 0.00 0.00 0.00 36.38 34.02 2pfk s VAL 194 CO 0.66 0.51 1.22 -1.83 0.00 0.00 0.00 175.10 175.66 2pfk s GLU 195 N -1.01 4.48 -0.11 2.72 1.03 -1.26 -4.73 118.70 119.82 2pfk s GLU 195 Ca 0.14 1.99 0.04 0.00 0.03 0.00 0.00 54.97 57.16 2pfk s GLU 195 Cb -0.11 -3.17 0.00 0.00 -0.80 0.00 0.00 34.13 30.06 2pfk s GLU 195 CO 0.03 -0.06 -0.23 0.12 -1.33 0.00 0.00 175.26 173.79 2pfk s PHE 196 N -0.67 2.57 -0.20 4.83 5.99 -1.26 -5.07 117.98 124.16 2pfk s PHE 196 Ca 0.50 -1.12 0.01 0.00 0.00 0.00 0.00 56.93 56.32 2pfk s PHE 196 Cb -0.35 -1.72 0.04 0.00 0.00 0.00 0.00 43.02 40.98 2pfk s PHE 196 CO 0.43 -0.47 -0.15 0.45 -0.00 0.00 0.00 175.22 175.48 2pfk s SER 197 N 0.48 3.51 0.39 6.13 0.15 -1.26 -4.99 113.70 118.11 2pfk s SER 197 Ca -0.16 -0.90 0.21 0.00 0.70 0.00 0.00 55.95 55.81 2pfk s SER 197 Cb -0.17 -1.41 1.23 0.00 -1.71 0.00 0.00 66.02 63.96 2pfk s SER 197 CO 0.06 -0.09 1.66 -0.09 1.20 0.00 0.00 173.24 175.98 2pfk h ARG 198 N 7.91 0.23 -0.11 5.44 2.43 -1.99 0.53 114.38 128.82 2pfk h ARG 198 Ca -0.33 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.78 2pfk h ARG 198 Cb 1.10 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2pfk h ARG 198 CO 0.54 0.15 -0.10 0.93 -1.51 0.00 0.00 179.97 179.98 2pfk h GLU 199 N 0.23 0.26 -0.20 0.20 4.39 -1.99 -2.42 114.58 115.05 2pfk h GLU 199 Ca 0.75 -0.13 -0.12 0.00 0.34 0.00 0.00 59.36 60.20 2pfk h GLU 199 Cb 1.99 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.63 2pfk h GLU 199 CO -0.49 0.66 -0.37 -0.44 -1.16 0.00 0.00 179.01 177.21 2pfk h ASP 200 N -0.14 0.46 -0.72 1.42 3.32 -0.50 -1.36 116.42 118.91 2pfk h ASP 200 Ca 0.02 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 2pfk h ASP 200 Cb 0.61 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 2pfk h ASP 200 CO 0.02 0.80 0.40 0.25 -1.72 0.00 0.00 179.24 178.99 2pfk h LEU 201 N 0.38 0.89 -0.62 1.55 5.85 -0.76 0.47 115.31 123.06 2pfk h LEU 201 Ca 0.04 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 2pfk h LEU 201 Cb 0.82 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2pfk h LEU 201 CO 0.07 0.72 -0.24 0.58 -0.34 0.00 0.00 178.44 179.23 2pfk h VAL 202 N 0.99 1.27 -0.35 1.05 2.07 -0.88 -0.60 116.25 119.81 2pfk h VAL 202 Ca 0.25 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 2pfk h VAL 202 Cb 0.02 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2pfk h VAL 202 CO -0.04 0.46 0.04 0.78 0.02 0.00 0.00 177.57 178.83 2pfk h ASN 203 N 0.72 0.57 -0.24 0.57 2.35 -0.96 0.65 115.58 119.23 2pfk h ASN 203 Ca 0.09 -0.27 0.06 0.00 -0.55 0.00 0.00 56.30 55.63 2pfk h ASN 203 Cb 0.77 -0.15 -0.07 0.00 0.05 0.00 0.00 38.32 38.92 2pfk h ASN 203 CO 0.06 0.70 -0.35 -0.33 -1.65 0.00 0.00 177.43 175.86 2pfk h GLU 204 N 0.41 -0.35 -0.42 0.81 4.39 -0.78 0.23 114.58 118.88 2pfk h GLU 204 Ca 0.10 0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.73 2pfk h GLU 204 Cb 0.38 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2pfk h GLU 204 CO 0.01 -0.23 -0.13 0.82 -1.16 0.00 0.00 179.01 178.32 2pfk h ILE 205 N -0.37 1.28 -0.70 3.13 2.04 -0.57 -2.54 117.51 119.78 2pfk h ILE 205 Ca 0.12 -1.24 0.10 0.00 1.00 0.00 0.00 64.86 64.84 2pfk h ILE 205 Cb 0.56 1.21 -0.07 0.00 -0.74 0.00 0.00 36.82 37.78 2pfk h ILE 205 CO -0.44 0.42 0.33 0.11 0.00 0.00 0.00 178.15 178.56 2pfk h LYS 206 N 0.64 0.53 0.18 2.37 1.57 0.79 -2.47 116.57 120.19 2pfk h LYS 206 Ca 0.10 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2pfk h LYS 206 Cb 0.67 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2pfk h LYS 206 CO 0.05 0.35 -0.30 0.00 -0.57 0.00 0.00 179.45 178.97 2pfk h ALA 207 N 1.45 -0.90 -0.94 3.86 0.00 -0.35 -2.71 119.26 119.66 2pfk h ALA 207 Ca 0.35 -0.09 0.23 0.00 0.00 0.00 0.00 54.91 55.41 2pfk h ALA 207 Cb 0.41 0.63 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 2pfk h ALA 207 CO -0.29 -0.95 0.63 0.78 0.00 0.00 0.00 179.25 179.42 2pfk h GLY 208 N -0.52 0.73 0.94 0.00 0.00 -1.19 -2.04 103.07 101.00 2pfk h GLY 208 Ca -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 2pfk h GLY 208 CO -0.10 -0.03 -0.29 -2.22 0.00 0.00 0.00 176.54 173.89 2pfk h ILE 209 N 0.31 0.38 -0.28 2.60 2.04 -1.19 0.81 117.51 122.18 2pfk h ILE 209 Ca 0.49 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 66.22 2pfk h ILE 209 Cb 1.39 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2pfk h ILE 209 CO -0.16 0.02 0.06 0.00 0.00 0.00 0.00 178.15 178.06 2pfk h ALA 210 N -0.52 1.59 0.00 1.87 0.00 -1.13 0.10 119.26 121.17 2pfk h ALA 210 Ca -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2pfk h ALA 210 Cb 0.65 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2pfk h ALA 210 CO 0.14 0.31 0.00 0.36 0.00 0.00 0.00 179.25 180.06 2pfk n LYS 211 N -4.37 0.80 0.00 0.00 2.85 -0.82 -4.90 118.16 111.72 2pfk n LYS 211 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 2pfk n LYS 211 Cb 0.17 -1.43 0.00 0.00 -0.65 0.00 0.00 35.03 33.12 2pfk n LYS 211 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2pfk n GLY 212 N 0.56 0.30 3.68 2.58 0.00 0.35 -5.04 105.19 107.61 2pfk n GLY 212 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.82 4.21 0.09 1.61 1.02 0.26 -4.89 119.74 121.22 2pfk s LYS 213 Ca 0.00 2.20 0.09 0.00 0.02 0.00 0.00 55.97 58.28 2pfk s LYS 213 Cb 0.00 -3.75 -0.19 0.00 -0.52 0.00 0.00 37.83 33.37 2pfk s LYS 213 CO 0.00 -0.74 1.12 0.87 -0.92 0.00 0.00 175.35 175.67 2pfk h LYS 214 N 8.70 0.00 -4.26 1.68 1.79 -1.88 -3.38 116.57 119.22 2pfk h LYS 214 Ca -0.40 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 57.90 2pfk h LYS 214 Cb 1.19 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.70 2pfk h LYS 214 CO 0.93 0.81 -0.48 -3.38 -1.08 0.00 0.00 179.45 176.25 2pfk s HIS 215 N -2.70 0.82 0.10 -1.35 -3.43 -1.26 -4.05 115.29 103.41 2pfk s HIS 215 Ca -0.00 -1.12 -0.25 0.00 -0.80 0.00 0.00 55.06 52.88 2pfk s HIS 215 Cb 0.09 -0.32 0.08 0.00 -1.43 0.00 0.00 32.58 31.00 2pfk s HIS 215 CO 0.82 -0.69 0.70 0.00 -2.00 0.00 0.00 174.74 173.56 2pfk s ALA 216 N -4.08 -1.68 -0.07 -1.38 0.00 -1.00 -4.99 121.76 108.57 2pfk s ALA 216 Ca 0.29 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.93 2pfk s ALA 216 Cb 0.05 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.91 2pfk s ALA 216 CO 0.07 -0.74 -0.07 0.42 0.00 0.00 0.00 175.76 175.45 2pfk s ILE 217 N -3.50 0.81 -0.29 0.00 1.01 -1.26 0.23 121.20 118.21 2pfk s ILE 217 Ca 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 2pfk s ILE 217 Cb -0.01 -0.82 0.03 0.00 0.01 0.00 0.00 42.46 41.67 2pfk s ILE 217 CO -0.11 0.31 0.02 -0.69 0.00 0.00 0.00 174.94 174.47 2pfk s VAL 218 N 1.23 3.35 -0.23 2.92 1.01 -0.26 -2.25 120.40 126.18 2pfk s VAL 218 Ca -0.05 -1.05 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 2pfk s VAL 218 Cb -0.14 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 2pfk s VAL 218 CO -0.02 0.02 0.26 0.00 0.00 0.00 0.00 175.10 175.36 2pfk s ALA 219 N 1.37 3.59 -0.00 5.51 0.00 -0.70 -1.33 121.76 130.20 2pfk s ALA 219 Ca -0.01 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.22 2pfk s ALA 219 Cb -0.18 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.47 2pfk s ALA 219 CO -0.00 -0.26 -0.08 -1.50 0.00 0.00 0.00 175.76 173.92 2pfk s ILE 220 N 1.20 0.64 0.47 0.00 2.07 -0.50 -1.12 121.20 123.97 2pfk s ILE 220 Ca 0.12 -0.41 -0.21 0.00 -1.41 0.00 0.00 60.65 58.74 2pfk s ILE 220 Cb -0.14 -0.55 -0.09 0.00 0.13 0.00 0.00 42.46 41.81 2pfk s ILE 220 CO 0.06 0.14 1.04 -0.89 -1.91 0.00 0.00 174.94 173.37 2pfk s THR 221 N -0.29 3.79 0.88 4.00 2.01 -0.67 -1.26 115.64 124.10 2pfk s THR 221 Ca 0.02 1.14 -0.11 0.00 0.31 0.00 0.00 61.69 63.06 2pfk s THR 221 Cb -0.04 -3.48 0.12 0.00 0.01 0.00 0.00 72.50 69.12 2pfk s THR 221 CO -0.00 -0.21 1.10 -1.83 -0.69 0.00 0.00 174.62 172.98 2pfk s GLU 222 N -3.14 1.36 -1.17 4.92 -1.05 -0.31 -3.92 118.70 115.39 2pfk s GLU 222 Ca 0.66 1.07 0.00 0.00 -0.15 0.00 0.00 54.97 56.55 2pfk s GLU 222 Cb -0.17 -1.80 0.00 0.00 -0.44 0.00 0.00 34.13 31.72 2pfk s GLU 222 CO 0.21 -2.24 0.00 0.72 0.95 0.00 0.00 175.26 174.90 2pfk n HIS 223 N -3.92 -0.20 -0.04 4.83 8.25 -1.26 -4.64 115.22 118.24 2pfk n HIS 223 Ca 0.08 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.49 2pfk n HIS 223 Cb 0.54 -2.37 -0.05 0.00 1.12 0.00 0.00 29.99 29.23 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 -2.47 1.33 -3.89 -0.41 2.81 -1.25 -5.09 117.12 108.15 2pfk n MET 224 Ca -0.13 0.03 -0.08 0.00 -1.81 0.00 0.00 57.70 55.71 2pfk n MET 224 Cb 0.47 -1.18 -0.02 0.00 -0.71 0.00 0.00 33.22 31.77 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 -2.97 6.54 0.43 0.00 3.68 -1.26 -4.92 116.67 118.17 2pfk s ASP 226 Ca 0.14 0.39 0.24 0.00 2.13 0.00 0.00 52.55 55.45 2pfk s ASP 226 Cb -0.05 -2.37 0.83 0.00 -1.45 0.00 0.00 42.92 39.88 2pfk s ASP 226 CO 0.08 -0.63 1.79 -0.37 0.13 0.00 0.00 175.17 176.17 2pfk h VAL 227 N 5.67 0.52 -0.02 1.11 -1.51 -1.98 -0.88 116.25 119.16 2pfk h VAL 227 Ca -0.25 -1.19 -0.26 0.00 -1.23 0.00 0.00 66.70 63.77 2pfk h VAL 227 Cb 1.10 1.83 0.02 0.00 -2.13 0.00 0.00 31.29 32.11 2pfk h VAL 227 CO 0.87 0.22 -1.01 0.44 -1.23 0.00 0.00 177.57 176.87 2pfk h ASP 228 N 0.00 0.91 -0.68 4.19 3.45 -1.94 -1.26 116.42 121.09 2pfk h ASP 228 Ca -0.00 -0.73 -0.01 0.00 0.43 0.00 0.00 57.03 56.72 2pfk h ASP 228 Cb 0.81 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 39.27 2pfk h ASP 228 CO 0.03 1.52 0.39 -0.33 -1.57 0.00 0.00 179.24 179.28 2pfk h GLU 229 N 0.40 0.94 -0.44 3.56 4.39 -1.94 0.43 114.58 121.92 2pfk h GLU 229 Ca -0.12 -0.10 -0.10 0.00 0.34 0.00 0.00 59.36 59.38 2pfk h GLU 229 Cb 1.66 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 30.11 2pfk h GLU 229 CO 0.20 0.69 -0.11 1.25 -1.16 0.00 0.00 179.01 179.89 2pfk h LEU 230 N 0.93 0.86 -0.60 1.33 5.85 -1.14 -1.66 115.31 120.88 2pfk h LEU 230 Ca 0.24 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2pfk h LEU 230 Cb 0.01 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2pfk h LEU 230 CO -0.04 1.02 0.23 0.00 -0.34 0.00 0.00 178.44 179.31 2pfk h ALA 231 N 0.87 0.78 0.32 1.25 0.00 -0.97 -0.06 119.26 121.44 2pfk h ALA 231 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2pfk h ALA 231 Cb 0.65 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2pfk h ALA 231 CO 0.04 0.40 -0.40 0.45 0.00 0.00 0.00 179.25 179.74 2pfk h HIS 232 N 0.83 -1.11 -0.53 0.00 3.86 -0.70 -0.33 115.15 117.18 2pfk h HIS 232 Ca 0.20 0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.52 2pfk h HIS 232 Cb 0.21 0.44 -0.11 0.00 1.06 0.00 0.00 27.41 29.02 2pfk h HIS 232 CO 0.01 -0.54 -0.31 0.35 0.86 0.00 0.00 177.93 178.30 2pfk h PHE 233 N -0.77 -0.85 -0.79 2.45 3.57 -1.03 0.12 116.94 119.64 2pfk h PHE 233 Ca -0.02 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2pfk h PHE 233 Cb 0.71 0.45 -0.04 0.00 2.79 0.00 0.00 35.95 39.87 2pfk h PHE 233 CO -0.26 -0.37 0.44 0.82 -2.23 0.00 0.00 178.31 176.72 2pfk h ILE 234 N -0.17 1.23 0.61 1.41 2.04 -0.74 -1.01 117.51 120.88 2pfk h ILE 234 Ca 0.22 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 2pfk h ILE 234 Cb 0.54 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2pfk h ILE 234 CO -0.63 0.26 -0.36 -0.08 0.00 0.00 0.00 178.15 177.34 2pfk h GLU 235 N 1.09 -0.88 -0.66 2.37 4.81 -0.06 -0.93 114.58 120.33 2pfk h GLU 235 Ca 0.28 0.06 0.13 0.00 -0.13 0.00 0.00 59.36 59.70 2pfk h GLU 235 Cb 0.01 0.20 -0.13 0.00 0.63 0.00 0.00 28.75 29.47 2pfk h GLU 235 CO -0.05 -0.59 -0.23 0.87 -0.73 0.00 0.00 179.01 178.29 2pfk h LYS 236 N -0.92 -0.06 -0.01 1.92 1.57 -0.54 0.17 116.57 118.71 2pfk h LYS 236 Ca -0.08 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.50 2pfk h LYS 236 Cb 0.74 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2pfk h LYS 236 CO 0.09 -0.04 -0.87 0.93 -0.57 0.00 0.00 179.45 178.99 2pfk h GLU 237 N -0.06 0.31 0.00 3.15 4.39 -1.04 -3.37 114.58 117.96 2pfk h GLU 237 Ca 0.30 -0.32 -0.14 0.00 0.34 0.00 0.00 59.36 59.54 2pfk h GLU 237 Cb 0.52 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 2pfk h GLU 237 CO -0.70 1.01 -2.13 0.25 -1.16 0.00 0.00 179.01 176.27 2pfk n THR 238 N -3.72 0.54 -0.99 1.13 -2.24 -0.37 -4.98 114.28 103.64 2pfk n THR 238 Ca -0.05 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2pfk n THR 238 Cb 0.80 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 1.47 0.48 3.69 3.38 0.00 0.58 -5.01 105.19 109.78 2pfk n GLY 239 Ca -0.15 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.47 4.09 0.03 1.61 6.06 -1.25 -5.04 118.95 123.99 2pfk s ARG 240 Ca 0.00 -0.27 -0.31 0.00 -2.50 0.00 0.00 55.73 52.64 2pfk s ARG 240 Cb 0.00 -3.33 -0.10 0.00 0.06 0.00 0.00 34.95 31.58 2pfk s ARG 240 CO 0.00 0.29 1.91 -1.91 -2.50 0.00 0.00 175.30 173.09 2pfk n GLU 241 N 3.51 2.66 -4.90 5.12 2.13 -1.26 -4.16 120.64 123.74 2pfk n GLU 241 Ca -0.16 0.97 -0.27 0.00 0.66 0.00 0.00 57.16 58.36 2pfk n GLU 241 Cb 0.52 -2.89 -0.16 0.00 0.27 0.00 0.00 31.44 29.18 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 3.89 1.55 -0.01 6.31 2.01 -1.26 -1.38 115.64 126.76 2pfk s THR 242 Ca 0.88 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 62.15 2pfk s THR 242 Cb -0.52 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 2pfk s THR 242 CO 0.43 0.45 -0.09 -0.13 -0.69 0.00 0.00 174.62 174.58 2pfk s ARG 243 N 0.20 0.81 -0.15 4.92 1.81 -0.90 -4.74 118.95 120.89 2pfk s ARG 243 Ca -0.09 -0.33 -0.08 0.00 -1.72 0.00 0.00 55.73 53.51 2pfk s ARG 243 Cb -0.14 -0.78 -0.04 0.00 -0.45 0.00 0.00 34.95 33.54 2pfk s ARG 243 CO 0.04 0.19 0.13 0.00 -0.68 0.00 0.00 175.30 174.97 2pfk s ALA 244 N -0.14 3.76 -0.08 2.13 0.00 -1.26 -0.56 121.76 125.62 2pfk s ALA 244 Ca 0.02 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.33 2pfk s ALA 244 Cb -0.05 -2.03 0.01 0.00 0.00 0.00 0.00 23.12 21.06 2pfk s ALA 244 CO -0.00 0.41 -0.14 0.99 0.00 0.00 0.00 175.76 177.02 2pfk s THR 245 N -0.40 1.27 -0.36 0.00 2.01 0.17 -4.96 115.64 113.38 2pfk s THR 245 Ca 0.12 -0.55 -0.03 0.00 0.31 0.00 0.00 61.69 61.54 2pfk s THR 245 Cb -0.12 -1.16 0.07 0.00 0.01 0.00 0.00 72.50 71.31 2pfk s THR 245 CO 0.01 0.39 0.11 -0.69 -0.69 0.00 0.00 174.62 173.75 2pfk s VAL 246 N 0.73 3.30 0.21 3.82 1.01 -1.26 -1.70 120.40 126.51 2pfk s VAL 246 Ca -0.13 -1.61 -0.09 0.00 0.00 0.00 0.00 61.98 60.15 2pfk s VAL 246 Cb -0.16 -3.05 0.15 0.00 0.00 0.00 0.00 36.38 33.32 2pfk s VAL 246 CO 0.03 -0.37 1.80 -0.07 0.00 0.00 0.00 175.10 176.49 2pfk h LEU 247 N 8.07 0.53 0.00 3.92 3.38 -1.97 -3.47 115.31 125.77 2pfk h LEU 247 Ca -0.18 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2pfk h LEU 247 Cb 1.06 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2pfk h LEU 247 CO 0.62 0.34 0.00 0.61 0.09 0.00 0.00 178.44 180.10 2pfk n GLY 248 N -1.29 2.32 0.00 0.83 0.00 -1.26 -3.29 105.19 102.50 2pfk n GLY 248 Ca 0.09 -0.46 0.04 0.00 0.00 0.00 0.00 46.02 45.69 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 9.91 0.00 0.30 1.61 8.25 -1.26 -2.36 115.22 131.67 2pfk n HIS 249 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.62 2pfk n HIS 249 Cb 0.00 -0.45 0.95 0.00 1.12 0.00 0.00 29.99 31.61 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 0.47 -0.48 1.59 3.07 -1.96 -1.97 117.51 118.24 2pfk h ILE 250 Ca 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.40 2pfk h ILE 250 Cb 0.14 1.00 -0.02 0.00 -0.27 0.00 0.00 36.82 37.66 2pfk h ILE 250 CO 0.00 0.00 0.25 1.56 -1.05 0.00 0.00 178.15 178.91 2pfk h GLN 251 N 0.00 0.66 0.00 0.16 4.20 -1.71 -2.96 115.11 115.46 2pfk h GLN 251 Ca 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2pfk h GLN 251 Cb 0.01 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.66 2pfk h GLN 251 CO -0.00 0.49 0.00 0.00 -0.67 0.00 0.00 178.83 178.65 2pfk h ARG 252 N 0.67 0.00 0.00 1.46 2.47 -1.58 -3.39 114.38 114.00 2pfk h ARG 252 Ca 0.17 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 58.31 2pfk h ARG 252 Cb 0.04 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.26 2pfk h ARG 252 CO -0.03 0.00 -0.39 0.41 0.56 0.00 0.00 179.97 180.52 2pfk n GLY 253 N 0.92 3.43 0.00 0.04 0.00 -1.12 -4.05 105.19 104.41 2pfk n GLY 253 Ca 0.04 -2.34 0.00 0.00 0.00 0.00 0.00 46.02 43.72 2pfk n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pfk n GLY 254 N -0.62 1.27 3.71 -0.02 0.00 -1.26 -4.93 105.19 103.33 2pfk n GLY 254 Ca -0.15 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 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 6.81 0.33 1.61 0.15 -1.26 -3.70 113.70 117.65 2pfk s SER 255 Ca 0.00 2.28 -0.29 0.00 0.70 0.00 0.00 55.95 58.64 2pfk s SER 255 Cb 0.00 -2.58 -0.11 0.00 -1.71 0.00 0.00 66.02 61.62 2pfk s SER 255 CO 0.00 -0.69 1.52 -2.16 1.20 0.00 0.00 173.24 173.10 2pfk s PRO 256 N 1.62 4.14 0.90 5.44 0.04 -1.26 -4.98 135.00 140.89 2pfk s PRO 256 Ca 0.65 2.54 -0.12 0.00 0.04 0.00 0.00 61.00 64.11 2pfk s PRO 256 Cb -0.36 -3.00 0.13 0.00 0.04 0.00 0.00 34.50 31.31 2pfk s PRO 256 CO 0.29 -0.55 1.12 0.14 0.04 0.00 0.00 177.00 178.04 2pfk s VAL 257 N -0.61 2.30 0.14 -0.36 -7.23 -1.26 -4.75 120.40 108.63 2pfk s VAL 257 Ca 0.57 0.10 -0.30 0.00 -1.81 0.00 0.00 61.98 60.54 2pfk s VAL 257 Cb -0.46 -2.80 -0.05 0.00 0.56 0.00 0.00 36.38 33.63 2pfk s VAL 257 CO 0.55 -0.13 1.56 -0.65 -0.31 0.00 0.00 175.10 176.13 2pfk h PRO 258 N -1.46 -0.36 -0.98 4.82 0.11 -1.99 -1.96 132.00 130.17 2pfk h PRO 258 Ca -0.50 0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.77 2pfk h PRO 258 Cb 1.31 0.08 -0.15 0.00 0.11 0.00 0.00 31.00 32.36 2pfk h PRO 258 CO 0.60 -0.24 -0.43 0.98 -0.21 0.00 0.00 178.00 178.70 2pfk n TYR 259 N -5.40 -0.09 -0.31 0.65 9.36 -1.26 -1.01 117.16 119.10 2pfk n TYR 259 Ca -0.02 1.21 -0.02 0.00 3.32 0.00 0.00 57.90 62.39 2pfk n TYR 259 Cb 0.35 -0.79 0.10 0.00 -0.63 0.00 0.00 39.34 38.37 2pfk n TYR 259 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 2pfk h ASP 260 N 0.00 0.91 -0.32 2.98 3.32 -1.83 0.11 116.42 121.60 2pfk h ASP 260 Ca 0.29 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 2pfk h ASP 260 Cb 0.54 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2pfk h ASP 260 CO -0.96 0.64 0.15 0.03 -1.72 0.00 0.00 179.24 177.38 2pfk h ARG 261 N 1.07 0.45 0.42 3.56 3.08 -0.31 0.01 114.38 122.66 2pfk h ARG 261 Ca 0.33 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 2pfk h ARG 261 Cb -0.03 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2pfk h ARG 261 CO -0.10 0.42 -0.20 0.82 -1.07 0.00 0.00 179.97 179.83 2pfk h ILE 262 N 0.38 0.54 -0.24 2.04 2.04 -1.02 -0.89 117.51 120.35 2pfk h ILE 262 Ca 0.11 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.63 2pfk h ILE 262 Cb 0.11 0.72 -0.08 0.00 -0.74 0.00 0.00 36.82 36.84 2pfk h ILE 262 CO -0.01 0.07 -0.37 0.25 0.00 0.00 0.00 178.15 178.09 2pfk h LEU 263 N -0.81 -1.17 -1.69 1.44 5.85 -0.77 0.48 115.31 118.64 2pfk h LEU 263 Ca -0.06 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2pfk h LEU 263 Cb 0.54 0.51 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2pfk h LEU 263 CO 0.09 -0.37 0.19 0.00 -0.34 0.00 0.00 178.44 178.01 2pfk h ALA 264 N 0.42 1.77 -0.18 1.25 0.00 -1.03 -1.05 119.26 120.44 2pfk h ALA 264 Ca 0.12 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2pfk h ALA 264 Cb 0.57 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2pfk h ALA 264 CO -0.45 0.21 -0.11 0.77 0.00 0.00 0.00 179.25 179.67 2pfk h SER 265 N 0.41 0.42 -0.02 0.00 0.02 0.51 -2.21 113.55 112.67 2pfk h SER 265 Ca 0.11 -0.43 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 2pfk h SER 265 Cb -0.03 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 2pfk h SER 265 CO -0.02 0.76 -0.02 0.03 -1.14 0.00 0.00 176.83 176.43 2pfk h ARG 266 N 0.08 0.05 -0.62 3.45 2.47 -0.85 -2.94 114.38 116.02 2pfk h ARG 266 Ca 0.04 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.76 2pfk h ARG 266 Cb 0.61 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.90 2pfk h ARG 266 CO 0.03 0.51 0.41 0.52 0.56 0.00 0.00 179.97 182.00 2pfk h MET 267 N -0.41 0.71 -0.45 0.04 2.86 -1.27 -1.03 114.93 115.38 2pfk h MET 267 Ca 0.00 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 2pfk h MET 267 Cb 0.50 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2pfk h MET 267 CO 0.00 0.47 -0.21 0.78 1.06 0.00 0.00 176.91 179.02 2pfk h GLY 268 N 0.73 0.98 0.73 8.32 0.00 -1.40 -2.17 103.07 110.27 2pfk h GLY 268 Ca 0.25 -0.84 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 2pfk h GLY 268 CO -0.07 0.77 -0.10 0.00 0.00 0.00 0.00 176.54 177.14 2pfk h ALA 269 N 0.97 0.20 -0.83 3.60 0.00 -1.10 -3.20 119.26 118.90 2pfk h ALA 269 Ca 0.11 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2pfk h ALA 269 Cb 0.75 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 2pfk h ALA 269 CO 0.06 0.03 0.51 -0.92 0.00 0.00 0.00 179.25 178.94 2pfk h TYR 270 N -0.04 0.95 0.00 0.00 3.20 -1.29 -0.04 116.97 119.74 2pfk h TYR 270 Ca 0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2pfk h TYR 270 Cb 0.60 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 2pfk h TYR 270 CO 0.08 0.49 -0.03 0.00 -1.64 0.00 0.00 178.16 177.06 2pfk h ALA 271 N 1.38 1.90 -0.06 1.82 0.00 -1.38 -0.13 119.26 122.79 2pfk h ALA 271 Ca 0.36 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 55.00 2pfk h ALA 271 Cb 0.14 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2pfk h ALA 271 CO -0.16 0.04 -0.90 0.82 0.00 0.00 0.00 179.25 179.05 2pfk h ILE 272 N 0.00 1.32 -0.59 0.00 1.08 -1.08 -2.51 117.51 115.72 2pfk h ILE 272 Ca -0.00 -2.20 -0.07 0.00 -0.39 0.00 0.00 64.86 62.20 2pfk h ILE 272 Cb 0.06 2.23 -0.02 0.00 -3.07 0.00 0.00 36.82 36.02 2pfk h ILE 272 CO 0.00 0.68 0.09 0.44 -0.69 0.00 0.00 178.15 178.67 2pfk h ASP 273 N 0.39 0.91 -0.25 1.72 3.45 -0.17 -0.92 116.42 121.54 2pfk h ASP 273 Ca -0.08 -0.20 -0.12 0.00 0.43 0.00 0.00 57.03 57.06 2pfk h ASP 273 Cb 1.54 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 40.06 2pfk h ASP 273 CO 0.17 0.92 -0.30 -0.07 -1.57 0.00 0.00 179.24 178.39 2pfk h LEU 274 N 0.90 0.70 -0.52 1.55 3.38 -1.11 -2.60 115.31 117.62 2pfk h LEU 274 Ca 0.18 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 2pfk h LEU 274 Cb 0.41 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2pfk h LEU 274 CO 0.01 1.05 0.24 -0.07 0.09 0.00 0.00 178.44 179.76 2pfk h LEU 275 N 0.37 0.69 -0.67 1.67 3.38 -1.29 -1.29 115.31 118.17 2pfk h LEU 275 Ca 0.03 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 2pfk h LEU 275 Cb 0.88 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2pfk h LEU 275 CO 0.07 0.64 -0.18 -0.07 0.09 0.00 0.00 178.44 178.99 2pfk h LEU 276 N 0.69 0.85 0.00 1.67 3.38 -1.14 -2.88 115.31 117.88 2pfk h LEU 276 Ca 0.18 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2pfk h LEU 276 Cb 0.14 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2pfk h LEU 276 CO -0.02 1.02 0.00 0.00 0.09 0.00 0.00 178.44 179.53 2pfk n ALA 277 N -2.50 2.22 -0.01 1.53 0.00 -0.98 -4.89 120.51 115.88 2pfk n ALA 277 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2pfk n ALA 277 Cb 0.42 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.20 0.17 3.79 0.00 0.00 -1.09 -5.07 105.19 103.20 2pfk n GLY 278 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.04 2.77 0.12 1.61 1.51 -0.50 -5.01 117.35 115.81 2pfk s TYR 279 Ca 0.00 1.52 -0.22 0.00 -1.01 0.00 0.00 57.07 57.36 2pfk s TYR 279 Cb 0.00 -3.04 0.06 0.00 -0.11 0.00 0.00 41.96 38.87 2pfk s TYR 279 CO 0.00 -1.52 0.56 0.20 -1.11 0.00 0.00 175.55 173.67 2pfk s GLY 280 N -3.11 -0.52 -1.33 0.71 0.00 -1.26 -4.51 107.32 97.30 2pfk s GLY 280 Ca 0.63 0.48 -0.08 0.00 0.00 0.00 0.00 44.72 45.75 2pfk s GLY 280 CO 0.48 0.17 0.49 0.61 0.00 0.00 0.00 173.10 174.84 2pfk n GLY 281 N -0.11 -0.50 3.83 0.20 0.00 -0.58 -4.91 105.19 103.14 2pfk n GLY 281 Ca -0.17 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.88 2.98 -0.02 1.61 1.81 -1.21 -0.78 118.95 117.47 2pfk s ARG 282 Ca 0.35 -0.94 0.01 0.00 -1.72 0.00 0.00 55.73 53.44 2pfk s ARG 282 Cb -0.18 -2.64 0.01 0.00 -0.45 0.00 0.00 34.95 31.69 2pfk s ARG 282 CO 0.43 0.44 -0.05 0.00 -0.68 0.00 0.00 175.30 175.45 2pfk s VAL 284 N 0.28 4.90 0.17 0.00 1.01 0.02 -1.11 120.40 125.67 2pfk s VAL 284 Ca -0.03 0.36 -0.23 0.00 0.00 0.00 0.00 61.98 62.08 2pfk s VAL 284 Cb -0.07 -3.72 0.06 0.00 0.00 0.00 0.00 36.38 32.65 2pfk s VAL 284 CO -0.00 -0.39 0.72 -0.83 0.00 0.00 0.00 175.10 174.60 2pfk s GLY 285 N -3.07 -0.40 -0.17 4.51 0.00 -0.76 -4.38 107.32 103.05 2pfk s GLY 285 Ca 0.48 0.30 -0.03 0.00 0.00 0.00 0.00 44.72 45.47 2pfk s GLY 285 CO 0.29 0.10 -0.06 -1.50 0.00 0.00 0.00 173.10 171.93 2pfk s ILE 286 N -3.65 3.55 -0.04 0.90 2.07 -1.26 -1.17 121.20 121.60 2pfk s ILE 286 Ca 0.06 -0.47 -0.02 0.00 -1.41 0.00 0.00 60.65 58.81 2pfk s ILE 286 Cb -0.02 -2.56 0.03 0.00 0.13 0.00 0.00 42.46 40.03 2pfk s ILE 286 CO -0.05 0.48 0.05 -1.10 -1.91 0.00 0.00 174.94 172.41 2pfk s GLN 287 N 0.69 0.05 -1.44 3.50 -0.21 0.15 0.13 119.66 122.53 2pfk s GLN 287 Ca -0.03 0.32 -0.06 0.00 0.02 0.00 0.00 55.36 55.61 2pfk s GLN 287 Cb -0.15 -0.58 0.01 0.00 1.00 0.00 0.00 33.01 33.29 2pfk s GLN 287 CO 0.02 -0.32 0.27 0.09 -2.12 0.00 0.00 175.29 173.23 2pfk n ASN 288 N 5.21 -0.45 -1.69 5.90 5.03 -1.26 0.00 115.26 128.00 2pfk n ASN 288 Ca -0.05 -1.18 -0.20 0.00 0.87 0.00 0.00 54.58 54.01 2pfk n ASN 288 Cb 0.50 -2.16 -0.08 0.00 -1.02 0.00 0.00 39.78 37.02 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 -4.57 -1.48 -4.79 3.52 -0.58 -1.26 -4.99 120.64 106.49 2pfk n GLU 289 Ca -0.28 1.18 -0.28 0.00 -0.42 0.00 0.00 57.16 57.35 2pfk n GLU 289 Cb 0.67 -5.59 -0.14 0.00 -0.57 0.00 0.00 31.44 25.81 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 -3.89 1.63 0.12 3.49 1.11 0.10 -5.11 119.66 117.11 2pfk s GLN 290 Ca 0.00 -1.06 -0.30 0.00 0.01 0.00 0.00 55.36 54.01 2pfk s GLN 290 Cb 0.00 -1.80 -0.06 0.00 -1.01 0.00 0.00 33.01 30.14 2pfk s GLN 290 CO 0.00 0.46 1.11 -0.51 0.01 0.00 0.00 175.29 176.36 2pfk s LEU 291 N -1.25 4.44 0.19 2.90 1.43 -1.26 0.29 118.68 125.42 2pfk s LEU 291 Ca 0.10 2.01 0.01 0.00 -1.03 0.00 0.00 54.13 55.22 2pfk s LEU 291 Cb -0.10 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 2pfk s LEU 291 CO 0.02 -0.29 0.05 0.68 0.23 0.00 0.00 176.35 177.04 2pfk s VAL 292 N 0.29 0.51 -0.01 -1.59 -7.23 -0.31 -4.91 120.40 107.14 2pfk s VAL 292 Ca 0.52 -1.98 -0.04 0.00 -1.81 0.00 0.00 61.98 58.67 2pfk s VAL 292 Cb -0.28 -2.28 -0.00 0.00 0.56 0.00 0.00 36.38 34.38 2pfk s VAL 292 CO 0.32 -0.31 0.09 -1.38 -0.31 0.00 0.00 175.10 173.51 2pfk s HIS 293 N -3.78 0.03 0.19 2.82 -3.43 -1.26 -1.82 115.29 108.05 2pfk s HIS 293 Ca 0.29 -0.07 0.03 0.00 -0.80 0.00 0.00 55.06 54.50 2pfk s HIS 293 Cb 0.07 -0.05 -0.05 0.00 -1.43 0.00 0.00 32.58 31.12 2pfk s HIS 293 CO 0.07 -0.18 -0.01 -1.01 -2.00 0.00 0.00 174.74 171.60 2pfk s HIS 294 N -0.89 1.35 0.24 0.38 3.76 -0.27 -4.92 115.29 114.94 2pfk s HIS 294 Ca -0.10 -0.95 -0.30 0.00 -0.15 0.00 0.00 55.06 53.57 2pfk s HIS 294 Cb -0.06 -0.76 -0.09 0.00 1.11 0.00 0.00 32.58 32.78 2pfk s HIS 294 CO 0.00 -0.11 1.28 0.34 -0.85 0.00 0.00 174.74 175.41 2pfk s ASP 295 N -3.22 6.92 0.36 1.40 2.15 -1.26 -0.42 116.67 122.59 2pfk s ASP 295 Ca 0.25 2.45 0.04 0.00 0.43 0.00 0.00 52.55 55.71 2pfk s ASP 295 Cb 0.05 -2.62 0.66 0.00 -0.30 0.00 0.00 42.92 40.72 2pfk s ASP 295 CO 0.05 -0.48 1.97 0.40 -0.17 0.00 0.00 175.17 176.94 2pfk h ILE 296 N 3.49 1.16 -0.08 4.11 2.04 -1.25 -2.64 117.51 124.34 2pfk h ILE 296 Ca -0.46 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 64.96 2pfk h ILE 296 Cb 1.22 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2pfk h ILE 296 CO 0.73 0.19 0.20 0.40 0.00 0.00 0.00 178.15 179.67 2pfk h ILE 297 N 0.67 0.19 0.00 -0.67 1.08 -1.89 0.12 117.51 116.99 2pfk h ILE 297 Ca 0.17 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.50 2pfk h ILE 297 Cb 0.08 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 2pfk h ILE 297 CO -0.02 0.00 -1.07 0.44 -0.69 0.00 0.00 178.15 176.81 2pfk h ASP 298 N 0.00 0.00 0.95 1.72 3.45 -1.86 -3.24 116.42 117.45 2pfk h ASP 298 Ca 0.04 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.36 2pfk h ASP 298 Cb 0.44 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.19 2pfk h ASP 298 CO -0.00 0.50 -1.12 0.00 -1.57 0.00 0.00 179.24 177.05 2pfk h ALA 299 N 1.50 0.65 -0.03 3.45 0.00 -1.06 -3.48 119.26 120.28 2pfk h ALA 299 Ca -0.10 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2pfk h ALA 299 Cb 1.47 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2pfk h ALA 299 CO 0.05 0.75 0.00 0.44 0.00 0.00 0.00 179.25 180.49