#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 4.73 0.00 0.00 -1.09 -1.26 -4.92 121.20 118.66 2pfk s ILE 1 Ca 0.00 1.23 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 2pfk s ILE 1 Cb 0.00 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.67 2pfk s ILE 1 CO 0.00 -0.32 0.00 0.29 -1.23 0.00 0.00 174.94 173.68 2pfk n LYS 2 N 6.37 3.15 -3.77 2.79 4.01 -1.26 -4.97 118.16 124.47 2pfk n LYS 2 Ca 0.05 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.72 2pfk n LYS 2 Cb 0.48 -0.95 -0.14 0.00 -0.51 0.00 0.00 35.03 33.90 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 -1.91 0.08 0.32 1.97 2.20 -1.26 -2.42 119.74 118.72 2pfk s LYS 3 Ca 0.00 0.30 0.10 0.00 -0.36 0.00 0.00 55.97 56.01 2pfk s LYS 3 Cb 0.00 -0.14 -0.06 0.00 -1.51 0.00 0.00 37.83 36.12 2pfk s LYS 3 CO 0.00 -0.13 -0.07 0.96 -0.36 0.00 0.00 175.35 175.74 2pfk s ILE 4 N 0.92 2.55 0.09 5.43 -4.36 -0.08 0.40 121.20 126.16 2pfk s ILE 4 Ca -0.07 -2.14 0.09 0.00 -0.26 0.00 0.00 60.65 58.27 2pfk s ILE 4 Cb -0.09 -2.64 -0.03 0.00 1.25 0.00 0.00 42.46 40.94 2pfk s ILE 4 CO -0.04 -0.26 -0.23 -0.83 0.24 0.00 0.00 174.94 173.81 2pfk s GLY 5 N -3.63 1.33 -0.04 6.27 0.00 0.66 -1.46 107.32 110.44 2pfk s GLY 5 Ca 0.33 -1.26 0.02 0.00 0.00 0.00 0.00 44.72 43.80 2pfk s GLY 5 CO 0.17 -1.23 -0.09 0.54 0.00 0.00 0.00 173.10 172.49 2pfk s VAL 6 N -1.00 0.86 0.06 1.40 0.11 -0.51 -1.65 120.40 119.68 2pfk s VAL 6 Ca 0.09 -0.36 -0.07 0.00 -2.93 0.00 0.00 61.98 58.72 2pfk s VAL 6 Cb -0.10 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 2pfk s VAL 6 CO 0.04 0.28 0.13 -1.48 -3.33 0.00 0.00 175.10 170.74 2pfk s LEU 7 N 0.48 1.68 -0.12 2.54 0.05 -0.98 -0.85 118.68 121.48 2pfk s LEU 7 Ca -0.08 -0.65 0.03 0.00 0.05 0.00 0.00 54.13 53.48 2pfk s LEU 7 Cb -0.12 0.79 0.00 0.00 -2.05 0.00 0.00 46.19 44.81 2pfk s LEU 7 CO 0.01 -0.64 -0.21 0.42 -0.55 0.00 0.00 176.35 175.38 2pfk s THR 8 N -3.43 2.24 0.08 5.48 -4.23 -1.26 -0.47 115.64 114.05 2pfk s THR 8 Ca 0.02 -0.94 0.06 0.00 -1.18 0.00 0.00 61.69 59.64 2pfk s THR 8 Cb 0.03 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 71.96 2pfk s THR 8 CO -0.09 0.55 -0.15 -0.55 -0.54 0.00 0.00 174.62 173.84 2pfk s SER 9 N 0.49 1.86 0.00 3.99 0.15 -0.37 -3.27 113.70 116.55 2pfk s SER 9 Ca -0.14 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 55.86 2pfk s SER 9 Cb -0.17 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2pfk s SER 9 CO 0.05 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.04 2pfk n GLY 10 N 1.17 -1.80 3.77 9.45 0.00 -1.26 -3.47 105.19 113.04 2pfk n GLY 10 Ca -0.20 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.18 2.98 0.80 -0.02 0.00 -1.26 -4.72 107.32 104.91 2pfk s GLY 11 Ca 0.00 1.15 -0.12 0.00 0.00 0.00 0.00 44.72 45.74 2pfk s GLY 11 CO 0.00 1.76 1.15 0.51 0.00 0.00 0.00 173.10 176.51 2pfk s ASP 12 N -0.70 3.90 -0.16 1.64 -4.77 -1.26 -4.77 116.67 110.55 2pfk s ASP 12 Ca 0.51 2.13 -0.14 0.00 -3.30 0.00 0.00 52.55 51.74 2pfk s ASP 12 Cb -0.37 -2.56 0.04 0.00 -1.09 0.00 0.00 42.92 38.94 2pfk s ASP 12 CO 0.48 -2.45 0.41 0.00 0.70 0.00 0.00 175.17 174.31 2pfk s ALA 13 N -2.49 -1.03 -0.01 2.11 0.00 -1.26 -4.69 121.76 114.40 2pfk s ALA 13 Ca 0.68 1.19 -0.34 0.00 0.00 0.00 0.00 51.96 53.48 2pfk s ALA 13 Cb -0.23 -0.69 -0.13 0.00 0.00 0.00 0.00 23.12 22.07 2pfk s ALA 13 CO 0.52 -0.20 1.76 -2.30 0.00 0.00 0.00 175.76 175.54 2pfk n PRO 14 N 2.92 2.08 0.00 0.00 -0.02 -1.26 -1.96 135.00 136.76 2pfk n PRO 14 Ca -0.14 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2pfk n PRO 14 Cb 0.57 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2pfk n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pfk n GLY 15 N 4.00 0.61 0.37 -1.23 0.00 -1.26 -2.93 105.19 104.75 2pfk n GLY 15 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 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 2.67 1.14 -0.67 1.61 2.86 -1.57 -1.76 114.93 119.20 2pfk h MET 16 Ca 0.00 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2pfk h MET 16 Cb 0.00 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.37 2pfk h MET 16 CO 0.00 0.75 0.34 -0.91 1.06 0.00 0.00 176.91 178.15 2pfk h ASN 17 N 1.17 0.86 -0.04 1.22 2.35 -1.79 -1.38 115.58 117.98 2pfk h ASN 17 Ca 0.39 -0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 2pfk h ASN 17 Cb 0.06 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2pfk h ASN 17 CO -0.13 0.74 -0.28 0.00 -1.65 0.00 0.00 177.43 176.11 2pfk h ALA 18 N 1.16 1.07 0.19 -0.83 0.00 -1.66 0.37 119.26 119.56 2pfk h ALA 18 Ca 0.23 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2pfk h ALA 18 Cb 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2pfk h ALA 18 CO -0.03 0.57 -0.09 0.00 0.00 0.00 0.00 179.25 179.70 2pfk h ALA 19 N 1.28 -0.25 0.36 0.00 0.00 -0.98 -0.29 119.26 119.38 2pfk h ALA 19 Ca 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2pfk h ALA 19 Cb 0.71 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2pfk h ALA 19 CO 0.05 -0.52 -0.34 0.82 0.00 0.00 0.00 179.25 179.26 2pfk h ILE 20 N -0.50 0.29 -0.99 0.00 2.04 -1.08 -1.03 117.51 116.24 2pfk h ILE 20 Ca -0.03 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.06 2pfk h ILE 20 Cb 0.38 0.29 -0.12 0.00 -0.74 0.00 0.00 36.82 36.63 2pfk h ILE 20 CO 0.04 0.00 0.58 -0.09 0.00 0.00 0.00 178.15 178.68 2pfk h ARG 21 N -0.72 0.59 -0.58 2.37 2.43 -0.12 -0.03 114.38 118.31 2pfk h ARG 21 Ca -0.02 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 2pfk h ARG 21 Cb 0.65 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2pfk h ARG 21 CO -0.06 0.39 -0.05 0.78 -1.51 0.00 0.00 179.97 179.53 2pfk h GLY 22 N 0.61 1.14 0.86 2.80 0.00 -0.51 -0.92 103.07 107.05 2pfk h GLY 22 Ca 0.62 -0.87 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 2pfk h GLY 22 CO -0.46 0.80 -0.22 -2.08 0.00 0.00 0.00 176.54 174.58 2pfk h VAL 23 N 0.95 1.32 0.35 4.60 2.07 0.25 -2.58 116.25 123.22 2pfk h VAL 23 Ca 0.16 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 2pfk h VAL 23 Cb 0.61 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2pfk h VAL 23 CO 0.04 0.43 -0.17 0.58 0.02 0.00 0.00 177.57 178.47 2pfk h VAL 24 N 0.22 0.66 -0.70 2.57 2.07 -1.07 -0.58 116.25 119.43 2pfk h VAL 24 Ca 0.03 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.32 2pfk h VAL 24 Cb 0.78 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2pfk h VAL 24 CO 0.06 0.05 0.45 0.03 0.02 0.00 0.00 177.57 178.18 2pfk h ARG 25 N -0.61 0.88 -0.08 1.57 3.08 -1.23 -1.25 114.38 116.73 2pfk h ARG 25 Ca -0.05 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.82 2pfk h ARG 25 Cb 0.45 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2pfk h ARG 25 CO 0.08 0.58 -0.53 0.77 -1.07 0.00 0.00 179.97 179.80 2pfk h SER 26 N 0.90 0.23 0.58 7.04 0.02 -1.43 -2.59 113.55 118.30 2pfk h SER 26 Ca 0.27 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 2pfk h SER 26 Cb -0.05 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.43 2pfk h SER 26 CO -0.08 0.72 -0.28 0.00 -1.14 0.00 0.00 176.83 176.05 2pfk h ALA 27 N 1.29 -0.78 -0.40 3.77 0.00 -0.49 -2.71 119.26 119.94 2pfk h ALA 27 Ca 0.00 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.79 2pfk h ALA 27 Cb 0.99 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 2pfk h ALA 27 CO 0.08 -0.84 -0.03 -0.07 0.00 0.00 0.00 179.25 178.39 2pfk h LEU 28 N -0.98 -0.22 -0.78 0.00 4.07 -1.25 0.08 115.31 116.23 2pfk h LEU 28 Ca -0.08 0.10 0.15 0.00 0.08 0.00 0.00 57.88 58.13 2pfk h LEU 28 Cb 0.66 0.19 -0.10 0.00 1.08 0.00 0.00 40.66 42.49 2pfk h LEU 28 CO 0.13 -0.07 0.33 0.74 -1.08 0.00 0.00 178.44 178.49 2pfk h THR 29 N 0.07 0.66 -0.05 0.22 2.02 -1.51 0.11 112.91 114.44 2pfk h THR 29 Ca 0.20 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.21 2pfk h THR 29 Cb 0.29 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 2pfk h THR 29 CO -0.35 0.09 0.00 -0.62 0.37 0.00 0.00 175.52 175.00 2pfk n GLU 30 N -4.98 1.21 -1.02 6.66 -0.58 -0.58 -4.91 120.64 116.44 2pfk n GLU 30 Ca 0.15 -0.32 -0.01 0.00 -0.42 0.00 0.00 57.16 56.57 2pfk n GLU 30 Cb 0.43 -1.30 -0.00 0.00 -0.57 0.00 0.00 31.44 30.00 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 0.87 0.46 3.95 0.62 0.00 0.40 -5.05 105.19 106.44 2pfk n GLY 31 Ca 0.14 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.12 2.85 -0.05 0.99 1.43 -0.09 -4.97 118.68 118.73 2pfk s LEU 32 Ca 0.00 0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.28 2pfk s LEU 32 Cb 0.00 -2.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 2pfk s LEU 32 CO 0.00 -1.97 -0.17 -0.70 0.23 0.00 0.00 176.35 173.73 2pfk s GLU 33 N -5.37 2.50 -0.09 1.70 2.12 -1.02 -4.18 118.70 114.36 2pfk s GLU 33 Ca 0.66 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 55.25 2pfk s GLU 33 Cb -0.07 -2.31 0.01 0.00 0.26 0.00 0.00 34.13 32.01 2pfk s GLU 33 CO 0.47 0.56 -0.17 0.08 -0.54 0.00 0.00 175.26 175.65 2pfk s VAL 34 N -0.57 1.54 -0.20 3.70 1.01 -1.26 -0.90 120.40 123.72 2pfk s VAL 34 Ca 0.08 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2pfk s VAL 34 Cb -0.11 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2pfk s VAL 34 CO 0.01 0.45 0.01 -0.04 0.00 0.00 0.00 175.10 175.52 2pfk s MET 35 N 0.68 3.65 -0.16 2.72 -1.94 -0.53 0.16 119.30 123.87 2pfk s MET 35 Ca -0.13 -0.50 -0.16 0.00 -1.71 0.00 0.00 55.69 53.19 2pfk s MET 35 Cb -0.16 -3.11 -0.04 0.00 2.01 0.00 0.00 34.83 33.53 2pfk s MET 35 CO 0.03 0.02 0.39 0.20 -0.01 0.00 0.00 175.02 175.65 2pfk s GLY 36 N 1.00 2.21 -0.19 -0.03 0.00 0.14 -1.42 107.32 109.03 2pfk s GLY 36 Ca 0.02 -0.41 -0.06 0.00 0.00 0.00 0.00 44.72 44.27 2pfk s GLY 36 CO 0.02 0.68 0.03 -0.42 0.00 0.00 0.00 173.10 173.41 2pfk s ILE 37 N 0.85 4.34 0.51 0.90 1.01 -0.03 -1.46 121.20 127.32 2pfk s ILE 37 Ca 0.20 -0.18 -0.17 0.00 0.00 0.00 0.00 60.65 60.50 2pfk s ILE 37 Cb -0.14 -2.96 -0.08 0.00 0.01 0.00 0.00 42.46 39.28 2pfk s ILE 37 CO 0.07 0.43 0.99 -0.31 0.00 0.00 0.00 174.94 176.12 2pfk s TYR 38 N 0.76 3.40 -1.65 3.97 2.02 -0.97 -4.33 117.35 120.56 2pfk s TYR 38 Ca 0.02 1.49 -0.11 0.00 -0.37 0.00 0.00 57.07 58.09 2pfk s TYR 38 Cb -0.14 -2.82 0.11 0.00 -0.40 0.00 0.00 41.96 38.71 2pfk s TYR 38 CO 0.02 -0.40 0.46 -0.25 -1.57 0.00 0.00 175.55 173.82 2pfk n ASP 39 N -1.50 -1.24 0.00 2.29 10.43 -0.49 -2.44 116.55 123.61 2pfk n ASP 39 Ca 0.07 -1.14 0.00 0.00 2.57 0.00 0.00 54.79 56.29 2pfk n ASP 39 Cb 0.54 -2.24 0.00 0.00 1.84 0.00 0.00 41.12 41.26 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 -1.74 3.38 0.19 0.44 0.00 -1.20 -2.51 105.19 103.75 2pfk n GLY 40 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 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 0.41 -0.26 1.61 0.05 -1.83 -3.09 116.97 113.85 2pfk h TYR 41 Ca 0.00 -0.14 0.03 0.00 0.05 0.00 0.00 58.73 58.67 2pfk h TYR 41 Cb 0.00 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.63 2pfk h TYR 41 CO 0.00 0.80 0.07 1.25 -1.05 0.00 0.00 178.16 179.23 2pfk h LEU 42 N 0.25 0.06 -1.21 3.88 5.85 -1.77 -1.53 115.31 120.84 2pfk h LEU 42 Ca 0.00 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2pfk h LEU 42 Cb 1.04 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2pfk h LEU 42 CO 0.09 0.07 -0.17 1.23 -0.34 0.00 0.00 178.44 179.31 2pfk h GLY 43 N 0.18 0.00 0.88 3.75 0.00 -1.35 -2.24 103.07 104.29 2pfk h GLY 43 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.31 2pfk h GLY 43 CO -0.13 0.00 -0.41 -2.00 0.00 0.00 0.00 176.54 173.99 2pfk h LEU 44 N 0.00 0.62 0.17 3.11 5.85 -1.34 0.12 115.31 123.85 2pfk h LEU 44 Ca -0.00 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 2pfk h LEU 44 Cb 0.68 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2pfk h LEU 44 CO 0.02 1.10 -0.08 0.22 -0.34 0.00 0.00 178.44 179.36 2pfk h TYR 45 N 0.18 -0.22 0.00 1.25 3.20 -1.06 -3.07 116.97 117.24 2pfk h TYR 45 Ca -0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2pfk h TYR 45 Cb 1.03 0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.37 2pfk h TYR 45 CO 0.10 -0.08 0.00 0.39 -1.64 0.00 0.00 178.16 176.93 2pfk n GLU 46 N -5.16 0.97 -3.04 1.82 1.02 -0.86 -4.59 120.64 110.80 2pfk n GLU 46 Ca -0.09 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.85 2pfk n GLU 46 Cb 0.14 -1.15 0.01 0.00 -0.02 0.00 0.00 31.44 30.42 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 -0.65 -4.49 -4.41 1.62 2.03 -0.91 -4.94 116.55 104.80 2pfk n ASP 47 Ca 0.07 -0.23 -0.45 0.00 0.52 0.00 0.00 54.79 54.70 2pfk n ASP 47 Cb 0.03 -3.70 -0.03 0.00 -0.72 0.00 0.00 41.12 36.70 2pfk n ASP 47 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2pfk s ARG 48 N -5.69 3.53 0.36 -0.67 0.52 0.37 -4.99 118.95 112.38 2pfk s ARG 48 Ca 0.28 -1.87 0.08 0.00 -0.52 0.00 0.00 55.73 53.70 2pfk s ARG 48 Cb -0.14 -4.70 -0.07 0.00 0.52 0.00 0.00 34.95 30.57 2pfk s ARG 48 CO 0.34 -1.63 -0.05 -1.64 0.02 0.00 0.00 175.30 172.35 2pfk s MET 49 N 2.08 1.84 -0.10 3.54 -1.94 -1.26 -2.29 119.30 121.17 2pfk s MET 49 Ca 0.26 -1.99 -0.19 0.00 -1.71 0.00 0.00 55.69 52.07 2pfk s MET 49 Cb -0.09 -1.60 0.04 0.00 2.01 0.00 0.00 34.83 35.20 2pfk s MET 49 CO -0.07 0.05 0.47 0.54 -0.01 0.00 0.00 175.02 176.00 2pfk s VAL 50 N -2.71 0.02 -0.03 -6.03 0.11 -0.53 -4.99 120.40 106.25 2pfk s VAL 50 Ca 0.33 -0.15 -0.19 0.00 -2.93 0.00 0.00 61.98 59.04 2pfk s VAL 50 Cb 0.05 -0.73 -0.05 0.00 -1.53 0.00 0.00 36.38 34.13 2pfk s VAL 50 CO 0.17 -0.08 0.55 -1.58 -3.33 0.00 0.00 175.10 170.82 2pfk s GLN 51 N -0.56 4.27 -0.10 1.54 0.74 -1.26 0.26 119.66 124.55 2pfk s GLN 51 Ca -0.07 0.63 -0.02 0.00 0.05 0.00 0.00 55.36 55.95 2pfk s GLN 51 Cb -0.03 -3.35 -0.03 0.00 1.10 0.00 0.00 33.01 30.70 2pfk s GLN 51 CO 0.04 0.37 0.00 -0.51 -0.55 0.00 0.00 175.29 174.63 2pfk s LEU 52 N -0.13 3.56 0.31 3.68 1.43 0.12 -4.88 118.68 122.77 2pfk s LEU 52 Ca 0.29 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 2pfk s LEU 52 Cb -0.17 -1.82 -0.06 0.00 0.03 0.00 0.00 46.19 44.17 2pfk s LEU 52 CO 0.15 0.35 0.07 1.51 0.23 0.00 0.00 176.35 178.67 2pfk s ASP 53 N -0.72 2.08 0.52 2.29 3.84 -1.26 -4.32 116.67 119.11 2pfk s ASP 53 Ca 0.11 -1.40 0.30 0.00 -0.00 0.00 0.00 52.55 51.56 2pfk s ASP 53 Cb -0.12 0.02 1.44 0.00 -1.38 0.00 0.00 42.92 42.89 2pfk s ASP 53 CO 0.02 -0.66 1.88 0.03 -0.00 0.00 0.00 175.17 176.44 2pfk h ARG 54 N 2.16 0.04 0.00 2.11 2.47 -1.99 -0.26 114.38 118.91 2pfk h ARG 54 Ca -0.40 -0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.21 2pfk h ARG 54 Cb 1.25 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.54 2pfk h ARG 54 CO 0.66 0.03 -0.57 -0.92 0.56 0.00 0.00 179.97 179.73 2pfk h TYR 55 N 0.04 0.00 0.00 3.04 3.20 -1.98 -2.66 116.97 118.61 2pfk h TYR 55 Ca 0.43 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.23 2pfk h TYR 55 Cb 1.66 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.92 2pfk h TYR 55 CO -0.00 0.53 -0.35 0.66 -1.64 0.00 0.00 178.16 177.36 2pfk h SER 56 N 0.00 0.00 -0.20 -2.11 4.64 -1.43 -3.24 113.55 111.20 2pfk h SER 56 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2pfk h SER 56 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 2pfk h SER 56 CO 0.07 0.35 0.00 1.33 -0.87 0.00 0.00 176.83 177.71 2pfk n VAL 57 N -3.33 0.46 -0.18 0.95 0.24 -1.22 -4.74 118.33 110.50 2pfk n VAL 57 Ca 0.01 -0.73 0.16 0.00 -2.04 0.00 0.00 64.34 61.74 2pfk n VAL 57 Cb 0.57 0.92 0.49 0.00 -1.47 0.00 0.00 33.84 34.36 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 2.55 0.42 -0.19 -1.34 4.64 -1.50 -2.81 113.55 115.32 2pfk h SER 58 Ca 0.00 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 2pfk h SER 58 Cb 0.66 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 2pfk h SER 58 CO 0.00 0.21 -0.02 -0.67 -0.87 0.00 0.00 176.83 175.48 2pfk n ASP 59 N -4.49 3.23 0.03 4.97 2.03 -1.26 -4.81 116.55 116.24 2pfk n ASP 59 Ca 0.15 -3.14 -0.04 0.00 0.52 0.00 0.00 54.79 52.28 2pfk n ASP 59 Cb 0.55 -0.52 -0.09 0.00 -0.72 0.00 0.00 41.12 40.33 2pfk n ASP 59 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2pfk h MET 60 N 1.16 0.00 -0.86 -0.67 2.86 -1.83 -3.42 114.93 112.17 2pfk h MET 60 Ca 0.02 0.00 0.22 0.00 -2.06 0.00 0.00 59.70 57.89 2pfk h MET 60 Cb 1.33 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.84 2pfk h MET 60 CO 0.17 0.50 0.14 0.97 1.06 0.00 0.00 176.91 179.74 2pfk h ILE 61 N 0.00 0.27 -0.43 -1.22 2.10 -1.86 -0.95 117.51 115.43 2pfk h ILE 61 Ca -0.16 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.73 2pfk h ILE 61 Cb 1.73 0.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.58 2pfk h ILE 61 CO 0.07 0.03 0.00 -0.46 -1.08 0.00 0.00 178.15 176.71 2pfk n ASN 62 N -5.30 2.35 -4.82 2.19 6.94 -1.26 -4.61 115.26 110.75 2pfk n ASN 62 Ca 0.20 -1.98 -0.37 0.00 -0.02 0.00 0.00 54.58 52.41 2pfk n ASN 62 Cb 0.64 -0.28 -0.06 0.00 -2.36 0.00 0.00 39.78 37.71 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 -1.43 3.82 1.07 -3.83 3.52 -0.36 -4.40 118.95 117.33 2pfk s ARG 63 Ca 0.30 0.09 -0.16 0.00 -0.13 0.00 0.00 55.73 55.83 2pfk s ARG 63 Cb 0.16 -3.27 0.22 0.00 -1.56 0.00 0.00 34.95 30.50 2pfk s ARG 63 CO 0.21 0.60 1.14 0.20 -0.81 0.00 0.00 175.30 176.64 2pfk s GLY 64 N -0.62 1.60 0.00 8.12 0.00 -1.24 -4.40 107.32 110.78 2pfk s GLY 64 Ca 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.14 2pfk s GLY 64 CO 0.07 -0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.76 2pfk n GLY 65 N -1.60 0.98 2.92 0.20 0.00 -1.26 -4.77 105.19 101.65 2pfk n GLY 65 Ca 0.10 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 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 0.98 0.34 2.61 -1.32 -1.26 -3.72 115.64 113.27 2pfk s THR 66 Ca 0.00 -0.29 0.25 0.00 -1.21 0.00 0.00 61.69 60.44 2pfk s THR 66 Cb 0.00 -0.99 0.26 0.00 -1.51 0.00 0.00 72.50 70.26 2pfk s THR 66 CO 0.00 0.35 1.99 2.19 -2.21 0.00 0.00 174.62 176.94 2pfk h PHE 67 N 7.94 0.00 0.00 9.09 -5.15 -1.94 -2.47 116.94 124.40 2pfk h PHE 67 Ca -0.30 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.46 2pfk h PHE 67 Cb 1.14 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.31 2pfk h PHE 67 CO 0.48 0.17 -0.10 -0.07 -2.00 0.00 0.00 178.31 176.79 2pfk h LEU 68 N 0.00 0.00 -0.02 2.10 3.38 -1.96 -3.51 115.31 115.30 2pfk h LEU 68 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2pfk h LEU 68 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2pfk h LEU 68 CO 0.02 0.05 -0.05 0.61 0.09 0.00 0.00 178.44 179.16 2pfk n GLY 69 N 1.12 -2.62 2.97 0.83 0.00 -0.93 -1.39 105.19 105.17 2pfk n GLY 69 Ca 0.04 -1.44 -0.16 0.00 0.00 0.00 0.00 46.02 44.46 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 -4.18 0.69 0.05 1.61 0.15 -1.26 -3.11 113.70 107.65 2pfk s SER 70 Ca 0.00 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.53 2pfk s SER 70 Cb 0.00 -0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.20 2pfk s SER 70 CO 0.00 0.06 -0.04 0.00 1.20 0.00 0.00 173.24 174.45 2pfk s ALA 71 N -0.19 0.55 -0.40 5.45 0.00 -1.25 -4.90 121.76 121.03 2pfk s ALA 71 Ca 0.02 -1.06 -0.18 0.00 0.00 0.00 0.00 51.96 50.73 2pfk s ALA 71 Cb -0.03 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.30 2pfk s ALA 71 CO -0.00 -0.25 0.50 1.03 0.00 0.00 0.00 175.76 177.04 2pfk s ARG 72 N -3.11 3.33 -0.58 0.00 3.00 -1.26 -4.54 118.95 115.78 2pfk s ARG 72 Ca 0.01 -0.47 0.05 0.00 0.00 0.00 0.00 55.73 55.32 2pfk s ARG 72 Cb 0.01 -3.90 0.17 0.00 0.00 0.00 0.00 34.95 31.23 2pfk s ARG 72 CO -0.06 -0.80 0.44 0.34 0.00 0.00 0.00 175.30 175.22 2pfk n PHE 73 N 5.78 1.53 0.29 -0.53 7.35 -1.26 -4.92 117.46 125.70 2pfk n PHE 73 Ca -0.05 -3.89 0.18 0.00 -0.76 0.00 0.00 57.45 52.92 2pfk n PHE 73 Cb 0.48 -0.26 0.84 0.00 0.35 0.00 0.00 39.48 40.89 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 5.40 0.00 0.00 -7.13 0.13 -2.02 -2.43 132.00 125.95 2pfk h PRO 74 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2pfk h PRO 74 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2pfk h PRO 74 CO 0.58 0.04 0.13 0.39 -0.23 0.00 0.00 178.00 178.91 2pfk n GLU 75 N -3.21 0.07 0.26 0.86 4.71 -1.26 -1.09 120.64 120.98 2pfk n GLU 75 Ca -0.01 0.52 0.17 0.00 -0.01 0.00 0.00 57.16 57.83 2pfk n GLU 75 Cb 0.23 -1.85 0.76 0.00 -1.01 0.00 0.00 31.44 29.57 2pfk n GLU 75 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 2pfk h PHE 76 N 0.00 0.00 -0.24 -0.32 3.57 -1.85 -2.40 116.94 115.70 2pfk h PHE 76 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2pfk h PHE 76 Cb 0.27 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2pfk h PHE 76 CO 0.00 0.00 0.01 0.00 -2.23 0.00 0.00 178.31 176.09 2pfk h ARG 77 N 0.00 0.34 -6.42 1.11 -0.00 -1.38 -3.41 114.38 104.62 2pfk h ARG 77 Ca 0.00 -0.06 -0.54 0.00 -0.50 0.00 0.00 59.98 58.89 2pfk h ARG 77 Cb 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.27 2pfk h ARG 77 CO 0.00 0.37 0.43 0.34 0.00 0.00 0.00 179.97 181.11 2pfk s ASP 78 N -6.82 7.28 0.41 7.04 -1.08 -0.90 -4.96 116.67 117.63 2pfk s ASP 78 Ca -0.07 1.76 0.29 0.00 -0.52 0.00 0.00 52.55 54.01 2pfk s ASP 78 Cb 0.16 -2.57 1.16 0.00 -1.46 0.00 0.00 42.92 40.21 2pfk s ASP 78 CO 0.73 -0.33 1.85 1.05 0.52 0.00 0.00 175.17 179.00 2pfk h GLU 79 N 6.82 0.00 -0.03 4.34 4.11 -1.87 -2.46 114.58 125.49 2pfk h GLU 79 Ca -0.41 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.86 2pfk h GLU 79 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2pfk h GLU 79 CO 0.77 0.00 -0.69 -0.91 0.07 0.00 0.00 179.01 178.25 2pfk h ASN 80 N 0.00 0.19 0.07 3.06 2.35 -1.93 -0.65 115.58 118.68 2pfk h ASN 80 Ca 0.00 -0.13 -0.23 0.00 -0.55 0.00 0.00 56.30 55.39 2pfk h ASN 80 Cb 0.46 -0.06 0.02 0.00 0.05 0.00 0.00 38.32 38.80 2pfk h ASN 80 CO 0.00 0.83 -0.94 -0.29 -1.65 0.00 0.00 177.43 175.37 2pfk h ILE 81 N 0.11 1.37 -0.68 2.81 2.10 -1.80 -3.04 117.51 118.38 2pfk h ILE 81 Ca -0.02 -2.32 0.06 0.00 1.08 0.00 0.00 64.86 63.66 2pfk h ILE 81 Cb 1.23 2.71 -0.06 0.00 -1.09 0.00 0.00 36.82 39.62 2pfk h ILE 81 CO 0.10 0.69 0.38 0.03 -1.08 0.00 0.00 178.15 178.27 2pfk h ARG 82 N 0.06 0.68 -0.89 2.19 3.08 -1.27 -1.41 114.38 116.83 2pfk h ARG 82 Ca -0.14 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 59.94 2pfk h ARG 82 Cb 1.65 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 31.49 2pfk h ARG 82 CO 0.18 0.45 0.55 0.00 -1.07 0.00 0.00 179.97 180.08 2pfk h ALA 83 N 1.35 1.23 0.49 0.04 0.00 -1.13 -0.53 119.26 120.72 2pfk h ALA 83 Ca 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2pfk h ALA 83 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2pfk h ALA 83 CO -0.18 0.29 -0.31 0.28 0.00 0.00 0.00 179.25 179.32 2pfk h VAL 84 N 0.99 0.37 -0.76 0.00 2.07 -1.16 -2.28 116.25 115.47 2pfk h VAL 84 Ca 0.39 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.07 2pfk h VAL 84 Cb 0.21 0.37 -0.14 0.00 -1.52 0.00 0.00 31.29 30.20 2pfk h VAL 84 CO -0.19 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.24 2pfk h ALA 85 N -0.31 0.54 -0.81 1.67 0.00 -0.88 -0.92 119.26 118.54 2pfk h ALA 85 Ca -0.06 0.29 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2pfk h ALA 85 Cb 0.63 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2pfk h ALA 85 CO 0.05 -0.41 0.52 0.82 0.00 0.00 0.00 179.25 180.23 2pfk h ILE 86 N 0.01 1.13 0.05 0.00 2.04 -0.98 -0.82 117.51 118.94 2pfk h ILE 86 Ca 0.37 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 2pfk h ILE 86 Cb 0.58 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2pfk h ILE 86 CO -0.77 0.18 -0.02 -0.33 0.00 0.00 0.00 178.15 177.21 2pfk h GLU 87 N 1.01 -0.06 -0.85 2.37 4.39 -0.61 -0.32 114.58 120.50 2pfk h GLU 87 Ca 0.32 0.00 0.07 0.00 0.34 0.00 0.00 59.36 60.10 2pfk h GLU 87 Cb 0.01 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.62 2pfk h GLU 87 CO -0.11 0.13 0.55 -0.91 -1.16 0.00 0.00 179.01 177.51 2pfk h ASN 88 N -0.25 0.81 0.61 1.42 2.35 -0.98 0.59 115.58 120.12 2pfk h ASN 88 Ca -0.01 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2pfk h ASN 88 Cb 0.22 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.44 2pfk h ASN 88 CO 0.01 0.51 -0.29 -0.07 -1.65 0.00 0.00 177.43 175.94 2pfk h LEU 89 N 0.91 -0.69 -0.41 1.61 3.38 -0.74 -1.28 115.31 118.09 2pfk h LEU 89 Ca 0.38 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.42 2pfk h LEU 89 Cb 0.28 0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 2pfk h LEU 89 CO -0.14 -0.42 -0.21 0.11 0.09 0.00 0.00 178.44 177.87 2pfk h LYS 90 N -0.92 -0.13 0.00 1.13 1.57 -0.38 -0.82 116.57 117.02 2pfk h LYS 90 Ca -0.08 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2pfk h LYS 90 Cb 0.66 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2pfk h LYS 90 CO 0.14 -0.09 0.00 1.57 -0.57 0.00 0.00 179.45 180.50 2pfk h LYS 91 N -0.13 0.00 0.00 3.15 5.09 0.20 -2.84 116.57 122.03 2pfk h LYS 91 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.94 2pfk h LYS 91 Cb 0.44 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.77 2pfk h LYS 91 CO -0.49 0.00 -0.81 0.54 -2.09 0.00 0.00 179.45 176.59 2pfk n ARG 92 N -2.32 1.43 -1.59 0.07 5.12 -0.48 -4.99 116.66 113.90 2pfk n ARG 92 Ca 0.01 -0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.92 2pfk n ARG 92 Cb 0.20 -1.29 -0.00 0.00 -1.16 0.00 0.00 32.46 30.20 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 1.40 0.38 3.63 -0.13 0.00 -0.44 -5.02 105.19 105.01 2pfk n GLY 93 Ca 0.03 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.03 4.78 -0.06 -0.61 1.01 -0.79 -4.39 121.20 119.11 2pfk s ILE 94 Ca 0.00 1.41 -0.01 0.00 0.00 0.00 0.00 60.65 62.05 2pfk s ILE 94 Cb 0.00 -4.16 -0.26 0.00 0.01 0.00 0.00 42.46 38.05 2pfk s ILE 94 CO 0.00 -0.19 0.60 0.44 0.00 0.00 0.00 174.94 175.79 2pfk h ASP 95 N 7.92 0.31 -5.18 3.58 3.32 -0.37 -3.41 116.42 122.59 2pfk h ASP 95 Ca -0.23 -0.59 -0.05 0.00 0.02 0.00 0.00 57.03 56.17 2pfk h ASP 95 Cb 1.09 -0.10 -0.10 0.00 0.22 0.00 0.00 39.33 40.44 2pfk h ASP 95 CO 0.89 1.52 -0.11 0.00 -1.72 0.00 0.00 179.24 179.83 2pfk s ALA 96 N -2.59 -0.48 0.10 3.45 0.00 -1.20 -4.06 121.76 116.98 2pfk s ALA 96 Ca -0.14 -0.61 0.04 0.00 0.00 0.00 0.00 51.96 51.26 2pfk s ALA 96 Cb 0.07 0.92 -0.04 0.00 0.00 0.00 0.00 23.12 24.07 2pfk s ALA 96 CO 0.81 -0.78 -0.10 -0.51 0.00 0.00 0.00 175.76 175.18 2pfk s LEU 97 N -2.94 2.40 -0.12 0.00 1.02 -0.21 -0.25 118.68 118.58 2pfk s LEU 97 Ca 0.15 -0.81 0.01 0.00 0.02 0.00 0.00 54.13 53.50 2pfk s LEU 97 Cb 0.00 -0.32 0.02 0.00 0.02 0.00 0.00 46.19 45.91 2pfk s LEU 97 CO 0.02 -0.26 -0.13 -0.69 0.02 0.00 0.00 176.35 175.31 2pfk s VAL 98 N -2.42 1.38 -0.10 -1.59 1.01 -0.66 -1.56 120.40 116.45 2pfk s VAL 98 Ca 0.06 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2pfk s VAL 98 Cb -0.03 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 2pfk s VAL 98 CO 0.00 0.42 -0.19 -0.69 0.00 0.00 0.00 175.10 174.64 2pfk s VAL 99 N 1.24 2.53 -0.22 2.92 1.01 -0.28 -2.32 120.40 125.28 2pfk s VAL 99 Ca -0.02 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2pfk s VAL 99 Cb -0.14 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.27 2pfk s VAL 99 CO -0.05 0.55 -0.15 -0.63 0.00 0.00 0.00 175.10 174.82 2pfk s ILE 100 N 0.20 2.24 -2.54 2.22 1.01 0.38 -0.58 121.20 124.13 2pfk s ILE 100 Ca -0.12 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.36 2pfk s ILE 100 Cb -0.16 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.21 2pfk s ILE 100 CO 0.06 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.91 2pfk n GLY 101 N 4.57 -0.58 2.40 6.18 0.00 -0.27 -1.24 105.19 116.24 2pfk n GLY 101 Ca -0.18 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 2pfk n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pfk n GLY 102 N 0.00 -0.86 0.20 -0.02 0.00 -1.22 -0.05 105.19 103.25 2pfk n GLY 102 Ca 0.00 -1.77 0.06 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.91 0.00 -0.78 1.61 -0.00 -1.94 -1.94 116.42 112.47 2pfk h ASP 103 Ca -0.25 0.00 0.11 0.00 -0.00 0.00 0.00 57.03 56.89 2pfk h ASP 103 Cb 0.74 0.00 -0.08 0.00 -0.00 0.00 0.00 39.33 39.99 2pfk h ASP 103 CO 0.20 0.33 0.40 1.23 -0.00 0.00 0.00 179.24 181.39 2pfk h GLY 104 N 1.46 1.20 2.00 7.15 0.00 -1.97 0.47 103.07 113.38 2pfk h GLY 104 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2pfk h GLY 104 CO 0.04 0.04 0.00 1.48 0.00 0.00 0.00 176.54 178.11 2pfk h SER 105 N 0.64 0.00 0.55 0.19 4.64 -1.67 -3.19 113.55 114.73 2pfk h SER 105 Ca 0.39 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.54 2pfk h SER 105 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 2pfk h SER 105 CO -0.29 0.00 -0.76 1.88 -0.87 0.00 0.00 176.83 176.78 2pfk h TYR 106 N 0.00 0.23 -0.02 4.77 -1.99 -0.89 -3.24 116.97 115.83 2pfk h TYR 106 Ca 0.00 -0.11 0.00 0.00 2.00 0.00 0.00 58.73 60.62 2pfk h TYR 106 Cb 0.48 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.18 2pfk h TYR 106 CO 0.00 0.86 0.01 0.52 -0.00 0.00 0.00 178.16 179.55 2pfk h MET 107 N 0.10 0.02 -0.61 4.88 2.86 -1.51 -1.96 114.93 118.71 2pfk h MET 107 Ca -0.02 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.70 2pfk h MET 107 Cb 1.34 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.96 2pfk h MET 107 CO 0.11 0.01 0.41 0.78 1.06 0.00 0.00 176.91 179.28 2pfk h GLY 108 N 0.02 0.67 1.69 8.32 0.00 -1.75 -0.85 103.07 111.16 2pfk h GLY 108 Ca 0.01 -0.20 -0.15 0.00 0.00 0.00 0.00 47.33 46.99 2pfk h GLY 108 CO -0.01 0.14 -0.57 0.00 0.00 0.00 0.00 176.54 176.10 2pfk h ALA 109 N 1.68 0.83 0.01 3.60 0.00 -1.51 0.24 119.26 124.11 2pfk h ALA 109 Ca 0.28 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2pfk h ALA 109 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2pfk h ALA 109 CO -0.08 0.70 -0.01 1.98 0.00 0.00 0.00 179.25 181.84 2pfk h MET 110 N 0.25 -0.02 0.27 0.00 4.05 -0.40 -0.85 114.93 118.23 2pfk h MET 110 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2pfk h MET 110 Cb 1.07 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.87 2pfk h MET 110 CO 0.09 0.14 -0.17 0.00 0.23 0.00 0.00 176.91 177.20 2pfk h ARG 111 N -0.17 -0.42 0.00 0.39 2.47 -1.29 -0.26 114.38 115.09 2pfk h ARG 111 Ca -0.00 0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 2pfk h ARG 111 Cb 0.17 0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2pfk h ARG 111 CO 0.00 -0.28 -0.08 -0.07 0.56 0.00 0.00 179.97 180.11 2pfk h LEU 112 N -0.43 0.00 -0.14 3.04 3.38 -0.90 -1.26 115.31 118.99 2pfk h LEU 112 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2pfk h LEU 112 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2pfk h LEU 112 CO 0.02 0.08 -0.17 0.74 0.09 0.00 0.00 178.44 179.19 2pfk h THR 113 N 0.00 1.35 -0.57 0.22 2.02 -0.24 0.72 112.91 116.42 2pfk h THR 113 Ca -0.00 -1.36 0.04 0.00 0.77 0.00 0.00 66.41 65.86 2pfk h THR 113 Cb 0.24 1.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 2pfk h THR 113 CO 0.01 0.40 0.38 -0.33 0.37 0.00 0.00 175.52 176.35 2pfk h GLU 114 N -0.01 0.60 -0.84 6.66 5.08 0.00 -0.93 114.58 125.14 2pfk h GLU 114 Ca 0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2pfk h GLU 114 Cb 0.72 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2pfk h GLU 114 CO 0.04 0.39 0.00 -1.33 -1.00 0.00 0.00 179.01 177.12 2pfk n MET 115 N -4.47 2.27 -0.93 2.33 2.81 -0.60 -4.90 117.12 113.63 2pfk n MET 115 Ca 0.07 -1.04 0.00 0.00 -1.81 0.00 0.00 57.70 54.92 2pfk n MET 115 Cb 0.18 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 30.95 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 0.23 0.44 2.81 3.03 0.00 -0.35 -5.03 105.19 106.31 2pfk n GLY 116 Ca 0.09 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 2.41 0.05 1.61 0.40 0.24 -5.00 117.98 115.70 2pfk s PHE 117 Ca 0.00 -2.51 -0.32 0.00 -0.60 0.00 0.00 56.93 53.51 2pfk s PHE 117 Cb 0.00 -2.18 -0.11 0.00 0.51 0.00 0.00 43.02 41.24 2pfk s PHE 117 CO 0.00 -0.82 1.87 -0.35 0.70 0.00 0.00 175.22 176.62 2pfk n PRO 118 N 3.85 2.62 -4.50 0.24 -0.04 -1.26 -2.75 135.00 133.17 2pfk n PRO 118 Ca 0.05 0.96 -0.30 0.00 -0.04 0.00 0.00 63.50 64.17 2pfk n PRO 118 Cb 0.37 -2.85 -0.12 0.00 -0.04 0.00 0.00 33.50 30.85 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 -1.02 1.32 -0.14 0.00 -1.09 -0.60 -0.72 121.20 118.94 2pfk s ILE 120 Ca 0.16 -0.55 -0.06 0.00 -2.23 0.00 0.00 60.65 57.96 2pfk s ILE 120 Cb -0.10 -1.21 -0.04 0.00 -1.58 0.00 0.00 42.46 39.52 2pfk s ILE 120 CO 0.07 0.40 0.08 -0.83 -1.23 0.00 0.00 174.94 173.44 2pfk s GLY 121 N 0.89 1.99 -0.13 6.18 0.00 -0.16 -1.13 107.32 114.97 2pfk s GLY 121 Ca -0.09 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 43.92 2pfk s GLY 121 CO 0.01 -0.20 -0.17 1.08 0.00 0.00 0.00 173.10 173.81 2pfk s LEU 122 N -0.34 2.44 -0.52 0.66 1.43 0.26 -0.69 118.68 121.92 2pfk s LEU 122 Ca 0.10 -0.45 -0.28 0.00 -1.03 0.00 0.00 54.13 52.47 2pfk s LEU 122 Cb -0.12 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.57 2pfk s LEU 122 CO 0.02 0.13 1.57 -2.16 0.23 0.00 0.00 176.35 176.14 2pfk s PRO 123 N 0.52 3.20 -0.30 1.29 0.04 -1.26 -1.12 135.00 137.37 2pfk s PRO 123 Ca -0.11 0.69 0.03 0.00 0.04 0.00 0.00 61.00 61.65 2pfk s PRO 123 Cb -0.16 -4.18 0.08 0.00 0.04 0.00 0.00 34.50 30.28 2pfk s PRO 123 CO 0.04 -2.05 -0.02 0.20 0.04 0.00 0.00 177.00 175.22 2pfk s GLY 124 N 5.39 1.80 -0.29 0.56 0.00 0.93 -1.16 107.32 114.56 2pfk s GLY 124 Ca 0.61 -2.13 -0.23 0.00 0.00 0.00 0.00 44.72 42.97 2pfk s GLY 124 CO 0.26 0.77 1.22 -1.08 0.00 0.00 0.00 173.10 174.28 2pfk s THR 125 N 1.03 0.00 0.09 0.90 -1.32 0.72 -3.38 115.64 113.68 2pfk s THR 125 Ca 0.00 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.67 2pfk s THR 125 Cb -0.20 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 69.91 2pfk s THR 125 CO -0.06 0.00 1.67 0.16 -2.21 0.00 0.00 174.62 174.18 2pfk h ILE 126 N 3.66 0.86 -0.00 5.08 3.07 -1.81 -3.20 117.51 125.17 2pfk h ILE 126 Ca -0.28 -1.68 0.00 0.00 1.55 0.00 0.00 64.86 64.46 2pfk h ILE 126 Cb 1.18 2.04 0.00 0.00 -0.27 0.00 0.00 36.82 39.78 2pfk h ILE 126 CO 0.16 0.39 -0.02 -0.90 -1.05 0.00 0.00 178.15 176.73 2pfk n ASP 127 N -3.44 0.11 0.00 2.16 3.85 -1.26 -3.91 116.55 114.05 2pfk n ASP 127 Ca 0.00 -0.41 0.00 0.00 -0.71 0.00 0.00 54.79 53.67 2pfk n ASP 127 Cb 0.56 -0.18 0.00 0.00 -1.35 0.00 0.00 41.12 40.15 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 -1.15 0.00 -2.38 -1.12 5.15 -1.25 -4.57 115.26 109.94 2pfk n ASN 128 Ca 0.16 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 54.08 2pfk n ASN 128 Cb 0.22 -0.97 -0.07 0.00 -0.53 0.00 0.00 39.78 38.43 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 0.00 2.38 -3.91 1.20 2.03 -1.26 -4.71 116.55 112.28 2pfk n ASP 129 Ca 0.00 -1.95 -0.19 0.00 0.52 0.00 0.00 54.79 53.17 2pfk n ASP 129 Cb 0.00 -0.64 -0.16 0.00 -0.72 0.00 0.00 41.12 39.60 2pfk n ASP 129 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2pfk s ILE 130 N 2.32 0.51 0.30 5.18 1.01 -1.26 -4.76 121.20 124.50 2pfk s ILE 130 Ca 0.29 -0.16 -0.17 0.00 0.00 0.00 0.00 60.65 60.61 2pfk s ILE 130 Cb 0.13 -0.51 -0.09 0.00 0.01 0.00 0.00 42.46 42.00 2pfk s ILE 130 CO -0.00 0.20 0.74 -0.54 0.00 0.00 0.00 174.94 175.34 2pfk s LYS 131 N 0.62 4.09 0.00 2.79 3.01 -1.26 -4.00 119.74 124.99 2pfk s LYS 131 Ca -0.08 0.75 0.00 0.00 -1.01 0.00 0.00 55.97 55.63 2pfk s LYS 131 Cb -0.11 -2.56 0.00 0.00 -1.01 0.00 0.00 37.83 34.15 2pfk s LYS 131 CO 0.00 0.22 0.00 0.41 0.51 0.00 0.00 175.35 176.49 2pfk n GLY 132 N -0.05 0.70 2.95 -3.33 0.00 -1.26 -4.91 105.19 99.28 2pfk n GLY 132 Ca 0.02 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 0.04 2.61 -1.32 -1.26 -4.44 115.64 109.26 2pfk s THR 133 Ca 0.00 0.09 -0.25 0.00 -1.21 0.00 0.00 61.69 60.31 2pfk s THR 133 Cb 0.00 -0.19 -0.17 0.00 -1.51 0.00 0.00 72.50 70.63 2pfk s THR 133 CO 0.00 0.03 1.51 0.44 -2.21 0.00 0.00 174.62 174.40 2pfk h ASP 134 N 6.56 -0.16 -4.03 8.08 3.32 -1.41 -3.46 116.42 125.33 2pfk h ASP 134 Ca -0.33 -0.15 -0.49 0.00 0.02 0.00 0.00 57.03 56.08 2pfk h ASP 134 Cb 1.17 0.04 -0.20 0.00 0.22 0.00 0.00 39.33 40.57 2pfk h ASP 134 CO 0.44 0.06 -0.79 -0.31 -1.72 0.00 0.00 179.24 176.92 2pfk s TYR 135 N -5.40 1.60 0.06 4.55 2.02 -1.26 -5.07 117.35 113.85 2pfk s TYR 135 Ca -0.14 -0.48 0.07 0.00 -0.37 0.00 0.00 57.07 56.14 2pfk s TYR 135 Cb 0.04 -0.85 -0.04 0.00 -0.40 0.00 0.00 41.96 40.72 2pfk s TYR 135 CO 0.64 0.20 -0.13 0.95 -1.57 0.00 0.00 175.55 175.63 2pfk s THR 136 N -1.68 3.16 0.15 -0.71 -4.23 -1.26 -4.57 115.64 106.49 2pfk s THR 136 Ca 0.08 -1.18 -0.31 0.00 -1.18 0.00 0.00 61.69 59.10 2pfk s THR 136 Cb -0.07 -2.41 -0.10 0.00 1.34 0.00 0.00 72.50 71.26 2pfk s THR 136 CO 0.04 0.24 1.68 -0.63 -0.54 0.00 0.00 174.62 175.41 2pfk s ILE 137 N -1.07 2.54 0.00 2.99 1.01 -0.31 -2.24 121.20 124.13 2pfk s ILE 137 Ca 0.18 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.10 2pfk s ILE 137 Cb -0.11 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.19 2pfk s ILE 137 CO 0.09 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.65 2pfk n GLY 138 N 3.96 2.49 0.41 6.18 0.00 -1.15 -0.20 105.19 116.88 2pfk n GLY 138 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.36 -0.63 1.61 3.04 -1.44 -2.33 116.94 115.84 2pfk h PHE 139 Ca 0.00 0.04 0.10 0.00 3.98 0.00 0.00 57.97 62.09 2pfk h PHE 139 Cb 0.00 0.59 -0.04 0.00 2.56 0.00 0.00 35.95 39.06 2pfk h PHE 139 CO 0.00 -0.50 0.42 0.74 -2.02 0.00 0.00 178.31 176.95 2pfk h PHE 140 N -0.60 0.49 0.05 0.41 0.04 -1.88 0.15 116.94 115.60 2pfk h PHE 140 Ca 0.01 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 2pfk h PHE 140 Cb 0.63 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.62 2pfk h PHE 140 CO -0.48 0.24 -0.02 1.15 -0.60 0.00 0.00 178.31 178.59 2pfk h THR 141 N 0.46 1.19 -0.49 -1.55 2.02 -1.79 -2.11 112.91 110.64 2pfk h THR 141 Ca 0.29 -0.80 0.07 0.00 0.77 0.00 0.00 66.41 66.74 2pfk h THR 141 Cb 0.51 1.72 -0.06 0.00 -1.74 0.00 0.00 68.15 68.58 2pfk h THR 141 CO -0.08 0.20 0.17 0.00 0.37 0.00 0.00 175.52 176.17 2pfk h ALA 142 N 0.51 0.60 -0.29 6.16 0.00 -1.01 -0.84 119.26 124.39 2pfk h ALA 142 Ca -0.01 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2pfk h ALA 142 Cb 0.38 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2pfk h ALA 142 CO 0.01 -0.23 0.06 1.25 0.00 0.00 0.00 179.25 180.35 2pfk h LEU 143 N 0.34 0.02 -1.30 0.00 5.85 -0.64 0.38 115.31 119.96 2pfk h LEU 143 Ca 0.24 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2pfk h LEU 143 Cb 0.26 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2pfk h LEU 143 CO -0.25 0.05 0.26 0.28 -0.34 0.00 0.00 178.44 178.44 2pfk h SER 144 N 0.17 0.66 0.05 1.25 0.02 -0.51 -0.78 113.55 114.42 2pfk h SER 144 Ca 0.13 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2pfk h SER 144 Cb 0.14 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2pfk h SER 144 CO -0.17 0.56 -0.02 0.74 -1.14 0.00 0.00 176.83 176.79 2pfk h THR 145 N 0.74 1.12 -0.08 -2.27 2.02 -0.32 0.76 112.91 114.89 2pfk h THR 145 Ca 0.19 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2pfk h THR 145 Cb 0.07 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2pfk h THR 145 CO -0.03 0.14 0.05 0.58 0.37 0.00 0.00 175.52 176.64 2pfk h VAL 146 N -0.32 1.02 -0.53 3.16 2.07 -0.07 -2.23 116.25 119.36 2pfk h VAL 146 Ca -0.01 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 2pfk h VAL 146 Cb 0.29 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2pfk h VAL 146 CO 0.01 0.02 0.18 0.58 0.02 0.00 0.00 177.57 178.38 2pfk h VAL 147 N 0.11 1.23 -0.58 2.57 2.07 -1.10 0.27 116.25 120.82 2pfk h VAL 147 Ca 0.03 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2pfk h VAL 147 Cb -0.01 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2pfk h VAL 147 CO -0.01 0.28 0.38 -0.08 0.02 0.00 0.00 177.57 178.16 2pfk h GLU 148 N 0.73 0.76 -0.06 1.57 4.81 -0.78 -1.27 114.58 120.34 2pfk h GLU 148 Ca 0.17 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2pfk h GLU 148 Cb 0.26 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 2pfk h GLU 148 CO -0.01 0.51 0.02 0.00 -0.73 0.00 0.00 179.01 178.80 2pfk h ALA 149 N 1.63 0.08 -0.96 2.92 0.00 -0.82 -2.61 119.26 119.51 2pfk h ALA 149 Ca 0.21 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2pfk h ALA 149 Cb -0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2pfk h ALA 149 CO -0.04 -0.29 0.63 0.82 0.00 0.00 0.00 179.25 180.36 2pfk h ILE 150 N -0.11 1.16 -0.71 0.00 2.04 -0.33 -1.92 117.51 117.63 2pfk h ILE 150 Ca 0.02 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.51 2pfk h ILE 150 Cb 0.24 -0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.12 2pfk h ILE 150 CO 0.00 0.22 0.43 0.44 0.00 0.00 0.00 178.15 179.24 2pfk h ASP 151 N 1.20 0.69 -0.02 1.72 3.32 -1.12 0.15 116.42 122.36 2pfk h ASP 151 Ca 0.39 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 2pfk h ASP 151 Cb 0.02 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 2pfk h ASP 151 CO -0.13 0.46 0.01 0.03 -1.72 0.00 0.00 179.24 177.90 2pfk h ARG 152 N 0.82 0.03 -0.46 3.56 3.08 -1.03 -2.94 114.38 117.45 2pfk h ARG 152 Ca 0.30 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 2pfk h ARG 152 Cb 0.09 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2pfk h ARG 152 CO -0.14 0.08 0.20 -0.07 -1.07 0.00 0.00 179.97 178.97 2pfk h LEU 153 N -0.02 0.58 -0.82 3.04 3.38 -0.98 -2.83 115.31 117.66 2pfk h LEU 153 Ca 0.01 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2pfk h LEU 153 Cb 0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2pfk h LEU 153 CO -0.00 0.51 0.05 -0.09 0.09 0.00 0.00 178.44 179.00 2pfk h ARG 154 N 0.64 0.93 0.19 1.13 9.65 -0.59 0.15 114.38 126.48 2pfk h ARG 154 Ca 0.16 -0.25 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 2pfk h ARG 154 Cb 0.11 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 2pfk h ARG 154 CO -0.02 0.90 -0.15 -0.44 2.80 0.00 0.00 179.97 183.06 2pfk h ASP 155 N 0.87 -0.39 -0.01 -3.80 3.32 -1.33 -1.83 116.42 113.26 2pfk h ASP 155 Ca 0.17 0.03 -0.19 0.00 0.02 0.00 0.00 57.03 57.06 2pfk h ASP 155 Cb 0.45 0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.14 2pfk h ASP 155 CO 0.02 -0.24 -0.74 0.00 -1.72 0.00 0.00 179.24 176.56 2pfk h THR 156 N -0.35 1.37 -0.23 0.35 1.03 -1.50 -2.45 112.91 111.12 2pfk h THR 156 Ca -0.01 -2.12 0.06 0.00 -0.01 0.00 0.00 66.41 64.33 2pfk h THR 156 Cb 0.32 2.49 -0.06 0.00 -1.07 0.00 0.00 68.15 69.83 2pfk h THR 156 CO -0.01 0.63 -0.15 0.28 -0.01 0.00 0.00 175.52 176.26 2pfk h SER 157 N 0.08 -0.49 -0.24 0.00 0.02 -0.72 -2.85 113.55 109.36 2pfk h SER 157 Ca -0.09 0.11 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 2pfk h SER 157 Cb 1.43 0.25 -0.04 0.00 0.14 0.00 0.00 62.40 64.18 2pfk h SER 157 CO 0.15 -0.19 -0.05 0.28 -1.14 0.00 0.00 176.83 175.87 2pfk h SER 158 N -0.14 -0.21 -0.80 3.07 0.02 -1.41 0.43 113.55 114.52 2pfk h SER 158 Ca 0.13 0.07 0.11 0.00 -0.84 0.00 0.00 61.79 61.26 2pfk h SER 158 Cb 0.33 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.96 2pfk h SER 158 CO -0.32 -0.07 0.53 0.28 -1.14 0.00 0.00 176.83 176.10 2pfk h SER 159 N 0.01 0.63 -0.01 3.07 0.02 -1.21 -2.92 113.55 113.14 2pfk h SER 159 Ca 0.11 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2pfk h SER 159 Cb 0.17 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2pfk h SER 159 CO -0.24 0.36 -0.52 1.41 -1.14 0.00 0.00 176.83 176.70 2pfk n HIS 160 N -4.51 0.00 -3.51 3.45 8.25 -1.10 -5.03 115.22 112.76 2pfk n HIS 160 Ca 0.14 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.38 2pfk n HIS 160 Cb 0.37 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.64 -2.95 -4.40 -0.41 6.02 0.14 -5.02 117.38 110.12 2pfk n GLN 161 Ca 0.05 0.68 -0.25 0.00 -0.01 0.00 0.00 57.00 57.47 2pfk n GLN 161 Cb 0.31 -5.14 -0.09 0.00 1.02 0.00 0.00 30.24 26.35 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 -5.37 1.97 -0.12 -1.09 0.52 -0.66 -4.63 118.95 109.58 2pfk s ARG 162 Ca 0.31 -1.75 -0.05 0.00 -0.52 0.00 0.00 55.73 53.73 2pfk s ARG 162 Cb -0.07 -1.88 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 2pfk s ARG 162 CO 0.80 0.21 0.06 0.42 0.02 0.00 0.00 175.30 176.81 2pfk s ILE 163 N -2.51 4.83 -0.09 1.52 1.01 0.67 -3.20 121.20 123.44 2pfk s ILE 163 Ca 0.33 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.97 2pfk s ILE 163 Cb -0.01 -3.09 0.01 0.00 0.01 0.00 0.00 42.46 39.38 2pfk s ILE 163 CO 0.18 0.59 -0.18 -0.55 0.00 0.00 0.00 174.94 174.97 2pfk s SER 164 N -0.71 2.46 -0.22 3.58 0.15 0.01 -1.79 113.70 117.18 2pfk s SER 164 Ca 0.12 -0.44 -0.04 0.00 0.70 0.00 0.00 55.95 56.29 2pfk s SER 164 Cb -0.12 -1.13 -0.01 0.00 -1.71 0.00 0.00 66.02 63.05 2pfk s SER 164 CO 0.03 0.09 -0.04 -0.69 1.20 0.00 0.00 173.24 173.83 2pfk s VAL 165 N 0.55 3.41 -0.23 4.45 1.01 -0.81 0.15 120.40 128.93 2pfk s VAL 165 Ca -0.16 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 2pfk s VAL 165 Cb -0.17 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.69 2pfk s VAL 165 CO 0.05 0.42 -0.11 -0.69 0.00 0.00 0.00 175.10 174.78 2pfk s VAL 166 N 1.47 2.53 -0.20 2.92 1.01 0.33 0.45 120.40 128.93 2pfk s VAL 166 Ca 0.06 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 60.76 2pfk s VAL 166 Cb -0.14 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2pfk s VAL 166 CO -0.03 0.26 0.50 -0.70 0.00 0.00 0.00 175.10 175.13 2pfk s GLU 167 N 1.28 4.19 0.01 2.72 2.12 -0.54 -1.46 118.70 127.03 2pfk s GLU 167 Ca -0.00 0.38 0.01 0.00 0.36 0.00 0.00 54.97 55.72 2pfk s GLU 167 Cb -0.16 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 2pfk s GLU 167 CO -0.07 -0.12 0.06 0.08 -0.54 0.00 0.00 175.26 174.66 2pfk s VAL 168 N 1.55 4.52 0.78 3.70 1.01 -0.33 -3.24 120.40 128.40 2pfk s VAL 168 Ca 0.23 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 2pfk s VAL 168 Cb -0.15 -3.07 0.06 0.00 0.00 0.00 0.00 36.38 33.22 2pfk s VAL 168 CO 0.09 0.31 1.10 -0.04 0.00 0.00 0.00 175.10 176.56 2pfk s MET 169 N -1.81 2.19 0.00 2.72 -1.94 -1.26 -0.64 119.30 118.56 2pfk s MET 169 Ca 0.23 0.63 0.00 0.00 -1.71 0.00 0.00 55.69 54.84 2pfk s MET 169 Cb -0.12 -1.93 0.00 0.00 2.01 0.00 0.00 34.83 34.79 2pfk s MET 169 CO 0.14 -1.54 0.00 0.41 -0.01 0.00 0.00 175.02 174.02 2pfk n GLY 170 N -2.20 0.54 0.29 -0.03 0.00 -1.26 -4.63 105.19 97.90 2pfk n GLY 170 Ca 0.07 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.29 2pfk n GLY 170 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2pfk n ARG 171 N 0.00 -0.29 -0.67 1.61 0.00 -1.26 -1.38 116.66 114.67 2pfk n ARG 171 Ca 0.00 1.05 0.09 0.00 -0.00 0.00 0.00 57.85 58.99 2pfk n ARG 171 Cb 0.00 -1.55 0.37 0.00 0.00 0.00 0.00 32.46 31.28 2pfk n ARG 171 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2pfk n TYR 172 N -4.89 1.61 -3.61 -0.14 0.53 -1.26 -4.89 117.16 104.51 2pfk n TYR 172 Ca 0.02 -0.64 -0.07 0.00 -1.02 0.00 0.00 57.90 56.20 2pfk n TYR 172 Cb 0.20 -0.30 -0.08 0.00 -1.03 0.00 0.00 39.34 38.12 2pfk n TYR 172 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2pfk n GLY 174 N 5.40 -1.38 0.39 0.00 0.00 -1.26 -4.37 105.19 103.97 2pfk n GLY 174 Ca -0.08 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 2pfk n GLY 174 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pfk n ASP 175 N -1.47 -0.78 -0.11 1.61 9.92 -1.26 0.22 116.55 124.68 2pfk n ASP 175 Ca 0.07 1.72 -0.01 0.00 -0.53 0.00 0.00 54.79 56.04 2pfk n ASP 175 Cb 0.30 -0.33 0.25 0.00 -0.64 0.00 0.00 41.12 40.69 2pfk n ASP 175 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2pfk h LEU 176 N 0.00 0.72 -0.15 0.64 5.85 -1.81 -0.36 115.31 120.20 2pfk h LEU 176 Ca 0.27 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 2pfk h LEU 176 Cb 0.52 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2pfk h LEU 176 CO -0.95 0.65 -0.39 0.74 -0.34 0.00 0.00 178.44 178.15 2pfk h THR 177 N 0.78 1.35 0.42 1.05 2.02 -0.91 -2.80 112.91 114.82 2pfk h THR 177 Ca 0.19 -1.66 -0.01 0.00 0.77 0.00 0.00 66.41 65.70 2pfk h THR 177 Cb 0.16 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 2pfk h THR 177 CO -0.02 0.50 -0.33 0.25 0.37 0.00 0.00 175.52 176.29 2pfk h LEU 178 N 0.17 -0.87 -0.59 2.58 5.85 0.06 0.18 115.31 122.69 2pfk h LEU 178 Ca -0.01 0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.88 2pfk h LEU 178 Cb 1.00 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 42.23 2pfk h LEU 178 CO 0.08 -0.49 0.18 0.00 -0.34 0.00 0.00 178.44 177.88 2pfk h ALA 179 N -0.29 0.73 -0.46 1.25 0.00 -1.16 0.43 119.26 119.76 2pfk h ALA 179 Ca -0.04 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2pfk h ALA 179 Cb 0.65 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2pfk h ALA 179 CO -0.01 -0.24 0.05 0.00 0.00 0.00 0.00 179.25 179.05 2pfk h ALA 180 N 1.43 0.62 -0.53 0.00 0.00 -1.38 0.28 119.26 119.67 2pfk h ALA 180 Ca 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2pfk h ALA 180 Cb 0.40 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2pfk h ALA 180 CO -0.33 0.37 0.35 0.00 0.00 0.00 0.00 179.25 179.64 2pfk h ALA 181 N 0.94 0.68 0.76 0.00 0.00 0.61 0.86 119.26 123.10 2pfk h ALA 181 Ca 0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2pfk h ALA 181 Cb 0.43 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2pfk h ALA 181 CO 0.01 0.12 -0.36 0.82 0.00 0.00 0.00 179.25 179.84 2pfk h ILE 182 N 0.72 0.03 0.00 0.00 2.04 -0.52 -0.49 117.51 119.30 2pfk h ILE 182 Ca 0.20 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2pfk h ILE 182 Cb -0.08 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.04 2pfk h ILE 182 CO -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 178.15 178.09 2pfk h ALA 183 N -1.23 1.48 0.00 1.87 0.00 -0.35 -1.77 119.26 119.27 2pfk h ALA 183 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2pfk h ALA 183 Cb 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2pfk h ALA 183 CO 0.17 0.03 -0.36 0.78 0.00 0.00 0.00 179.25 179.87 2pfk h GLY 184 N 0.18 0.00 -3.38 0.00 0.00 0.79 -3.48 103.07 97.17 2pfk h GLY 184 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 2pfk h GLY 184 CO 0.00 0.00 -0.33 0.61 0.00 0.00 0.00 176.54 176.82 2pfk n GLY 185 N 1.16 0.22 3.69 4.60 0.00 -0.47 -4.88 105.19 109.51 2pfk n GLY 185 Ca 0.03 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 7.03 0.55 -6.65 0.00 9.09 -1.87 -3.44 114.58 119.28 2pfk h GLU 187 Ca -0.35 -0.05 -0.69 0.00 0.05 0.00 0.00 59.36 58.32 2pfk h GLU 187 Cb 1.17 -0.12 -0.22 0.00 -1.65 0.00 0.00 28.75 27.93 2pfk h GLU 187 CO 0.79 0.40 -0.82 -0.06 0.05 0.00 0.00 179.01 179.37 2pfk s PHE 188 N -6.04 2.50 -0.04 2.06 0.08 -1.17 -5.08 117.98 110.28 2pfk s PHE 188 Ca -0.13 -0.29 -0.03 0.00 0.12 0.00 0.00 56.93 56.59 2pfk s PHE 188 Cb 0.11 -1.42 0.02 0.00 -0.57 0.00 0.00 43.02 41.16 2pfk s PHE 188 CO 0.73 0.26 0.11 0.54 -0.10 0.00 0.00 175.22 176.76 2pfk s VAL 189 N -0.95 -0.01 -0.23 -0.44 0.11 -1.26 -2.07 120.40 115.55 2pfk s VAL 189 Ca 0.15 0.05 -0.02 0.00 -2.93 0.00 0.00 61.98 59.23 2pfk s VAL 189 Cb -0.10 -0.17 0.07 0.00 -1.53 0.00 0.00 36.38 34.64 2pfk s VAL 189 CO 0.06 0.02 0.03 -0.69 -3.33 0.00 0.00 175.10 171.19 2pfk s VAL 190 N 0.37 0.77 0.25 2.04 1.01 -0.77 -4.99 120.40 119.08 2pfk s VAL 190 Ca -0.03 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.21 2pfk s VAL 190 Cb -0.04 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 2pfk s VAL 190 CO -0.01 -0.29 -0.18 0.68 0.00 0.00 0.00 175.10 175.30 2pfk s VAL 191 N 1.73 2.19 -1.25 2.92 -7.23 -1.26 -1.53 120.40 115.98 2pfk s VAL 191 Ca 0.00 -2.32 0.23 0.00 -1.81 0.00 0.00 61.98 58.08 2pfk s VAL 191 Cb -0.17 -2.19 0.31 0.00 0.56 0.00 0.00 36.38 34.88 2pfk s VAL 191 CO -0.11 -0.46 1.73 -0.81 -0.31 0.00 0.00 175.10 175.14 2pfk n PRO 192 N -0.49 0.19 0.08 4.82 -0.04 -1.26 -3.30 135.00 134.99 2pfk n PRO 192 Ca -0.06 0.09 -0.09 0.00 -0.04 0.00 0.00 63.50 63.39 2pfk n PRO 192 Cb 0.60 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.45 2pfk n PRO 192 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2pfk h GLU 193 N 0.00 0.09 -6.28 0.54 3.07 -1.96 -3.46 114.58 106.57 2pfk h GLU 193 Ca 0.00 -0.14 -0.60 0.00 -0.50 0.00 0.00 59.36 58.12 2pfk h GLU 193 Cb 0.29 0.05 -0.10 0.00 -0.84 0.00 0.00 28.75 28.15 2pfk h GLU 193 CO 0.00 1.05 -0.62 0.08 -1.40 0.00 0.00 179.01 178.12 2pfk s VAL 194 N -2.75 4.07 0.21 3.13 1.01 -1.21 -5.10 120.40 119.76 2pfk s VAL 194 Ca -0.01 -1.22 -0.30 0.00 0.00 0.00 0.00 61.98 60.46 2pfk s VAL 194 Cb 0.09 -3.04 -0.08 0.00 0.00 0.00 0.00 36.38 33.35 2pfk s VAL 194 CO 0.84 -0.07 1.15 -0.70 0.00 0.00 0.00 175.10 176.31 2pfk s GLU 195 N -2.90 4.55 -0.12 2.72 2.12 -1.26 -4.76 118.70 119.05 2pfk s GLU 195 Ca 0.29 1.82 0.03 0.00 0.36 0.00 0.00 54.97 57.46 2pfk s GLU 195 Cb -0.10 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 31.06 2pfk s GLU 195 CO 0.20 0.03 -0.22 0.12 -0.54 0.00 0.00 175.26 174.85 2pfk s PHE 196 N -0.40 2.63 -0.05 5.30 2.19 -1.26 -5.05 117.98 121.34 2pfk s PHE 196 Ca 0.50 -1.15 0.01 0.00 0.33 0.00 0.00 56.93 56.62 2pfk s PHE 196 Cb -0.32 -1.77 0.02 0.00 -1.31 0.00 0.00 43.02 39.64 2pfk s PHE 196 CO 0.38 -0.49 -0.06 0.45 1.83 0.00 0.00 175.22 177.33 2pfk s SER 197 N 0.57 1.15 0.23 6.13 0.15 -1.26 -5.01 113.70 115.65 2pfk s SER 197 Ca -0.13 -0.16 -0.06 0.00 0.70 0.00 0.00 55.95 56.30 2pfk s SER 197 Cb -0.17 -0.52 0.36 0.00 -1.71 0.00 0.00 66.02 63.98 2pfk s SER 197 CO 0.04 -0.05 1.78 0.03 1.20 0.00 0.00 173.24 176.24 2pfk h ARG 198 N 7.21 0.62 0.07 5.44 3.08 -1.99 -1.80 114.38 127.00 2pfk h ARG 198 Ca -0.36 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.66 2pfk h ARG 198 Cb 1.16 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 2pfk h ARG 198 CO 0.46 0.41 -0.05 0.93 -1.07 0.00 0.00 179.97 180.65 2pfk h GLU 199 N 0.63 -0.11 0.13 0.04 3.07 -1.99 -0.14 114.58 116.21 2pfk h GLU 199 Ca 0.37 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.25 2pfk h GLU 199 Cb 0.39 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.28 2pfk h GLU 199 CO -0.27 -0.07 -0.32 -0.44 -1.40 0.00 0.00 179.01 176.51 2pfk h ASP 200 N -0.12 -0.91 -0.48 1.42 3.32 -1.79 -2.16 116.42 115.71 2pfk h ASP 200 Ca -0.00 0.10 0.08 0.00 0.02 0.00 0.00 57.03 57.23 2pfk h ASP 200 Cb 0.10 0.34 -0.10 0.00 0.22 0.00 0.00 39.33 39.90 2pfk h ASP 200 CO -0.00 -0.41 -0.40 0.25 -1.72 0.00 0.00 179.24 176.96 2pfk h LEU 201 N -0.54 -1.36 -1.46 1.55 5.85 -1.13 -0.38 115.31 117.83 2pfk h LEU 201 Ca 0.03 0.22 0.12 0.00 0.84 0.00 0.00 57.88 59.09 2pfk h LEU 201 Cb 0.57 0.62 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 2pfk h LEU 201 CO -0.18 -0.34 0.50 0.58 -0.34 0.00 0.00 178.44 178.66 2pfk h VAL 202 N -0.26 0.88 -0.06 1.05 2.07 -0.85 -0.28 116.25 118.80 2pfk h VAL 202 Ca 0.17 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 2pfk h VAL 202 Cb 0.57 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2pfk h VAL 202 CO -0.62 0.10 -0.07 0.78 0.02 0.00 0.00 177.57 177.79 2pfk h ASN 203 N 0.57 0.16 -0.68 0.57 2.35 -0.45 -1.11 115.58 117.00 2pfk h ASN 203 Ca 0.36 -0.50 0.07 0.00 -0.55 0.00 0.00 56.30 55.69 2pfk h ASN 203 Cb 0.62 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.90 2pfk h ASN 203 CO -0.13 0.63 0.45 -0.33 -1.65 0.00 0.00 177.43 176.39 2pfk h GLU 204 N -0.30 0.63 -0.23 0.81 5.08 -0.51 0.17 114.58 120.23 2pfk h GLU 204 Ca 0.01 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2pfk h GLU 204 Cb 0.59 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2pfk h GLU 204 CO 0.02 0.42 -0.09 0.82 -1.00 0.00 0.00 179.01 179.17 2pfk h ILE 205 N 0.65 1.30 -0.44 3.13 2.04 -0.93 -1.58 117.51 121.68 2pfk h ILE 205 Ca 0.30 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 65.03 2pfk h ILE 205 Cb 0.32 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 2pfk h ILE 205 CO -0.10 0.35 0.27 0.11 0.00 0.00 0.00 178.15 178.78 2pfk h LYS 206 N 0.19 0.52 0.08 2.37 1.57 -0.32 -1.22 116.57 119.76 2pfk h LYS 206 Ca 0.05 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2pfk h LYS 206 Cb 0.58 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 2pfk h LYS 206 CO 0.03 0.35 -0.24 0.00 -0.57 0.00 0.00 179.45 179.02 2pfk h ALA 207 N 1.19 -0.37 -0.72 3.86 0.00 -0.59 -0.98 119.26 121.65 2pfk h ALA 207 Ca 0.18 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.22 2pfk h ALA 207 Cb 0.00 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 18.07 2pfk h ALA 207 CO -0.08 -0.76 0.11 0.78 0.00 0.00 0.00 179.25 179.31 2pfk h GLY 208 N -0.41 0.92 0.97 0.00 0.00 -0.87 -2.19 103.07 101.49 2pfk h GLY 208 Ca 0.04 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 2pfk h GLY 208 CO -0.16 -0.22 -0.31 -2.22 0.00 0.00 0.00 176.54 173.62 2pfk h ILE 209 N 0.20 0.34 -0.80 2.60 2.04 -0.68 -1.17 117.51 120.04 2pfk h ILE 209 Ca 0.40 -0.06 0.15 0.00 1.00 0.00 0.00 64.86 66.35 2pfk h ILE 209 Cb 0.69 0.36 -0.15 0.00 -0.74 0.00 0.00 36.82 36.98 2pfk h ILE 209 CO -0.55 0.01 -0.26 0.00 0.00 0.00 0.00 178.15 177.35 2pfk h ALA 210 N -0.59 0.38 0.00 1.87 0.00 -0.60 0.42 119.26 120.74 2pfk h ALA 210 Ca -0.09 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2pfk h ALA 210 Cb 0.69 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2pfk h ALA 210 CO 0.15 -0.49 0.00 1.17 0.00 0.00 0.00 179.25 180.08 2pfk n LYS 211 N -5.51 0.30 -2.19 0.00 4.81 -0.93 -4.82 118.16 109.82 2pfk n LYS 211 Ca 0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.52 2pfk n LYS 211 Cb 0.40 -1.28 0.00 0.00 0.02 0.00 0.00 35.03 34.17 2pfk n LYS 211 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pfk n GLY 212 N -0.31 0.44 3.63 3.14 0.00 0.14 -5.05 105.19 107.19 2pfk n GLY 212 Ca 0.04 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 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 -4.37 4.14 0.29 1.61 2.47 -0.45 -4.96 119.74 118.47 2pfk s LYS 213 Ca 0.01 0.61 0.01 0.00 -1.56 0.00 0.00 55.97 55.05 2pfk s LYS 213 Cb -0.01 -3.64 0.44 0.00 -1.46 0.00 0.00 37.83 33.17 2pfk s LYS 213 CO 0.02 -0.40 1.78 0.87 0.16 0.00 0.00 175.35 177.78 2pfk h LYS 214 N 7.80 0.61 -3.28 4.03 1.79 -1.89 -3.40 116.57 122.24 2pfk h LYS 214 Ca -0.27 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.02 2pfk h LYS 214 Cb 1.12 -0.07 -0.09 0.00 -1.58 0.00 0.00 32.23 31.62 2pfk h LYS 214 CO 0.79 0.69 0.06 -3.38 -1.08 0.00 0.00 179.45 176.52 2pfk s HIS 215 N -4.82 -0.08 0.20 -1.35 -3.43 -1.26 -3.80 115.29 100.75 2pfk s HIS 215 Ca -0.08 -0.29 -0.14 0.00 -0.80 0.00 0.00 55.06 53.75 2pfk s HIS 215 Cb 0.15 0.44 0.01 0.00 -1.43 0.00 0.00 32.58 31.74 2pfk s HIS 215 CO 0.79 -1.00 0.44 0.00 -2.00 0.00 0.00 174.74 172.97 2pfk s ALA 216 N -3.90 -0.52 -0.08 -1.38 0.00 -1.19 -5.01 121.76 109.68 2pfk s ALA 216 Ca 0.11 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2pfk s ALA 216 Cb -0.02 0.89 0.02 0.00 0.00 0.00 0.00 23.12 24.01 2pfk s ALA 216 CO 0.01 -0.77 -0.05 0.42 0.00 0.00 0.00 175.76 175.37 2pfk s ILE 217 N -3.93 0.72 -0.25 0.00 1.01 -1.26 -0.81 121.20 116.69 2pfk s ILE 217 Ca 0.14 -0.15 -0.08 0.00 0.00 0.00 0.00 60.65 60.56 2pfk s ILE 217 Cb 0.00 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 2pfk s ILE 217 CO 0.00 0.30 0.09 -0.69 0.00 0.00 0.00 174.94 174.64 2pfk s VAL 218 N 1.41 4.54 -0.24 2.92 1.01 0.40 -3.04 120.40 127.40 2pfk s VAL 218 Ca -0.02 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 2pfk s VAL 218 Cb -0.13 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2pfk s VAL 218 CO -0.03 0.34 0.10 0.00 0.00 0.00 0.00 175.10 175.50 2pfk s ALA 219 N 1.51 3.34 0.02 5.51 0.00 -0.88 -0.51 121.76 130.74 2pfk s ALA 219 Ca 0.06 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2pfk s ALA 219 Cb -0.15 -2.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 2pfk s ALA 219 CO 0.05 -0.29 -0.06 -1.50 0.00 0.00 0.00 175.76 173.96 2pfk s ILE 220 N 1.25 0.45 0.27 0.00 2.07 -0.53 -1.85 121.20 122.85 2pfk s ILE 220 Ca 0.05 -0.59 -0.29 0.00 -1.41 0.00 0.00 60.65 58.41 2pfk s ILE 220 Cb -0.14 -0.45 -0.09 0.00 0.13 0.00 0.00 42.46 41.91 2pfk s ILE 220 CO 0.04 -0.11 1.13 -0.89 -1.91 0.00 0.00 174.94 173.21 2pfk s THR 221 N -0.68 3.43 0.63 4.00 2.01 -0.58 -1.19 115.64 123.27 2pfk s THR 221 Ca -0.04 1.40 -0.19 0.00 0.31 0.00 0.00 61.69 63.18 2pfk s THR 221 Cb -0.06 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 2pfk s THR 221 CO 0.00 0.32 1.31 -1.83 -0.69 0.00 0.00 174.62 173.73 2pfk s GLU 222 N -1.28 2.64 -0.38 4.92 -1.05 0.19 -3.51 118.70 120.24 2pfk s GLU 222 Ca 0.46 2.11 0.00 0.00 -0.15 0.00 0.00 54.97 57.39 2pfk s GLU 222 Cb -0.33 -1.91 0.00 0.00 -0.44 0.00 0.00 34.13 31.45 2pfk s GLU 222 CO 0.41 -1.54 0.00 0.72 0.95 0.00 0.00 175.26 175.80 2pfk n HIS 223 N -1.76 -0.12 -0.08 4.83 8.25 -1.26 -4.46 115.22 120.62 2pfk n HIS 223 Ca 0.15 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.45 2pfk n HIS 223 Cb 0.47 -1.38 -0.06 0.00 1.12 0.00 0.00 29.99 30.15 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 -1.98 0.34 -4.35 -0.41 2.81 -1.23 -5.07 117.12 107.23 2pfk n MET 224 Ca -0.04 0.14 -0.21 0.00 -1.81 0.00 0.00 57.70 55.77 2pfk n MET 224 Cb 0.38 -1.09 -0.08 0.00 -0.71 0.00 0.00 33.22 31.72 2pfk n MET 224 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2pfk s ASP 226 N -3.45 6.19 0.65 0.00 3.68 -1.26 -4.94 116.67 117.54 2pfk s ASP 226 Ca 0.35 -1.14 0.39 0.00 2.13 0.00 0.00 52.55 54.28 2pfk s ASP 226 Cb 0.02 -2.25 2.15 0.00 -1.45 0.00 0.00 42.92 41.40 2pfk s ASP 226 CO 0.24 -0.81 2.27 -0.37 0.13 0.00 0.00 175.17 176.63 2pfk h VAL 227 N 5.82 0.15 -0.14 1.11 -1.51 -1.99 -1.13 116.25 118.57 2pfk h VAL 227 Ca -0.28 0.00 -0.19 0.00 -1.23 0.00 0.00 66.70 65.00 2pfk h VAL 227 Cb 1.10 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 2pfk h VAL 227 CO 0.94 0.00 -0.69 0.44 -1.23 0.00 0.00 177.57 177.03 2pfk h ASP 228 N 0.00 0.71 -0.11 4.19 3.45 -1.96 1.00 116.42 123.70 2pfk h ASP 228 Ca 0.01 -0.44 -0.08 0.00 0.43 0.00 0.00 57.03 56.94 2pfk h ASP 228 Cb 0.13 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 2pfk h ASP 228 CO -0.00 1.20 -0.26 -0.33 -1.57 0.00 0.00 179.24 178.29 2pfk h GLU 229 N 0.43 0.37 -0.41 3.56 4.39 -1.84 -2.11 114.58 118.98 2pfk h GLU 229 Ca -0.03 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 2pfk h GLU 229 Cb 1.28 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.95 2pfk h GLU 229 CO 0.13 0.86 0.21 1.25 -1.16 0.00 0.00 179.01 180.30 2pfk h LEU 230 N -0.06 0.52 -0.28 1.33 5.85 -1.13 -2.02 115.31 119.51 2pfk h LEU 230 Ca -0.00 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.67 2pfk h LEU 230 Cb 0.86 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 2pfk h LEU 230 CO 0.06 0.48 -0.05 0.00 -0.34 0.00 0.00 178.44 178.59 2pfk h ALA 231 N 1.06 0.21 -0.71 1.25 0.00 -0.79 -1.38 119.26 118.90 2pfk h ALA 231 Ca 0.14 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.23 2pfk h ALA 231 Cb 0.08 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 2pfk h ALA 231 CO -0.02 -0.45 0.38 0.45 0.00 0.00 0.00 179.25 179.61 2pfk h HIS 232 N 0.03 0.68 0.59 0.00 3.86 -1.03 -1.07 115.15 118.20 2pfk h HIS 232 Ca 0.14 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 2pfk h HIS 232 Cb 0.20 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 2pfk h HIS 232 CO -0.25 0.27 -0.33 0.35 0.86 0.00 0.00 177.93 178.83 2pfk h PHE 233 N 0.65 -0.87 -0.82 2.45 3.57 -0.86 -1.52 116.94 119.54 2pfk h PHE 233 Ca 0.34 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.91 2pfk h PHE 233 Cb 0.31 0.30 -0.07 0.00 2.79 0.00 0.00 35.95 39.29 2pfk h PHE 233 CO -0.09 -0.52 0.48 0.82 -2.23 0.00 0.00 178.31 176.77 2pfk h ILE 234 N -0.86 0.96 -0.24 1.41 2.04 -1.06 0.58 117.51 120.35 2pfk h ILE 234 Ca -0.07 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.50 2pfk h ILE 234 Cb 0.69 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2pfk h ILE 234 CO 0.09 0.15 0.15 -0.08 0.00 0.00 0.00 178.15 178.47 2pfk h GLU 235 N 0.85 0.32 0.59 2.37 4.81 -0.96 -1.06 114.58 121.50 2pfk h GLU 235 Ca 0.38 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 2pfk h GLU 235 Cb 0.27 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2pfk h GLU 235 CO -0.21 0.24 -0.47 0.87 -0.73 0.00 0.00 179.01 178.70 2pfk h LYS 236 N 0.30 -1.00 0.00 1.92 1.57 -0.46 0.11 116.57 119.01 2pfk h LYS 236 Ca 0.09 0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2pfk h LYS 236 Cb -0.00 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 2pfk h LYS 236 CO -0.02 -0.67 -0.02 0.93 -0.57 0.00 0.00 179.45 179.11 2pfk h GLU 237 N -1.04 0.00 0.00 3.15 4.39 -0.89 -3.29 114.58 116.90 2pfk h GLU 237 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2pfk h GLU 237 Cb 0.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 2pfk h GLU 237 CO 0.01 0.02 -0.12 0.25 -1.16 0.00 0.00 179.01 178.00 2pfk n THR 238 N -3.13 0.00 -1.21 1.13 -2.24 -0.41 -5.00 114.28 103.42 2pfk n THR 238 Ca -0.01 -0.44 -0.07 0.00 -2.27 0.00 0.00 64.05 61.26 2pfk n THR 238 Cb 0.24 0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 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 1.17 0.88 3.64 3.38 0.00 0.38 -4.99 105.19 109.66 2pfk n GLY 239 Ca 0.00 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.28 3.84 -0.01 1.61 6.06 -1.23 -5.04 118.95 121.89 2pfk s ARG 240 Ca 0.00 -0.35 -0.30 0.00 -2.50 0.00 0.00 55.73 52.58 2pfk s ARG 240 Cb 0.00 -3.15 -0.08 0.00 0.06 0.00 0.00 34.95 31.78 2pfk s ARG 240 CO 0.00 0.34 2.01 -2.00 -2.50 0.00 0.00 175.30 173.15 2pfk s GLU 241 N 0.18 3.94 -0.11 5.12 2.12 -1.26 -4.09 118.70 124.60 2pfk s GLU 241 Ca 0.04 2.49 0.03 0.00 0.36 0.00 0.00 54.97 57.89 2pfk s GLU 241 Cb -0.12 -4.20 0.01 0.00 0.26 0.00 0.00 34.13 30.07 2pfk s GLU 241 CO 0.01 -1.18 -0.20 0.99 -0.54 0.00 0.00 175.26 174.33 2pfk s THR 242 N 5.21 1.82 -0.04 -1.70 2.01 -1.26 -0.23 115.64 121.45 2pfk s THR 242 Ca 0.91 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 62.08 2pfk s THR 242 Cb -0.41 -1.60 -0.00 0.00 0.01 0.00 0.00 72.50 70.50 2pfk s THR 242 CO 0.40 0.51 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.56 2pfk s ARG 243 N 0.62 1.61 0.18 4.92 1.81 -0.74 -4.70 118.95 122.65 2pfk s ARG 243 Ca -0.13 -0.54 -0.07 0.00 -1.72 0.00 0.00 55.73 53.27 2pfk s ARG 243 Cb -0.17 -1.41 -0.06 0.00 -0.45 0.00 0.00 34.95 32.86 2pfk s ARG 243 CO 0.04 0.21 0.46 0.00 -0.68 0.00 0.00 175.30 175.32 2pfk s ALA 244 N 0.10 3.68 -0.09 2.13 0.00 -1.26 -1.92 121.76 124.40 2pfk s ALA 244 Ca -0.04 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 2pfk s ALA 244 Cb -0.11 -2.28 0.04 0.00 0.00 0.00 0.00 23.12 20.77 2pfk s ALA 244 CO 0.02 0.59 0.02 0.99 0.00 0.00 0.00 175.76 177.38 2pfk s THR 245 N -1.73 0.30 -0.33 0.00 2.01 0.17 -4.94 115.64 111.12 2pfk s THR 245 Ca 0.44 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 62.35 2pfk s THR 245 Cb -0.12 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.81 2pfk s THR 245 CO 0.23 0.13 0.21 -0.69 -0.69 0.00 0.00 174.62 173.81 2pfk s VAL 246 N 1.99 5.06 -0.00 3.82 1.01 -1.26 -1.46 120.40 129.55 2pfk s VAL 246 Ca 0.04 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.47 2pfk s VAL 246 Cb -0.13 -3.60 -0.19 0.00 0.00 0.00 0.00 36.38 32.46 2pfk s VAL 246 CO -0.06 0.00 1.34 -0.07 0.00 0.00 0.00 175.10 176.32 2pfk h LEU 247 N 8.45 0.02 0.00 3.92 3.38 -1.96 -3.49 115.31 125.64 2pfk h LEU 247 Ca -0.31 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.24 2pfk h LEU 247 Cb 1.15 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2pfk h LEU 247 CO 0.63 0.43 0.00 0.61 0.09 0.00 0.00 178.44 180.20 2pfk n GLY 248 N 0.03 0.29 0.20 0.83 0.00 -1.26 -3.77 105.19 101.51 2pfk n GLY 248 Ca -0.08 -0.91 0.08 0.00 0.00 0.00 0.00 46.02 45.11 2pfk n GLY 248 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2pfk h HIS 249 N 0.00 0.00 -0.08 1.61 3.86 -2.00 -1.39 115.15 117.15 2pfk h HIS 249 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2pfk h HIS 249 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2pfk h HIS 249 CO 0.00 0.00 0.02 -0.84 0.86 0.00 0.00 177.93 177.97 2pfk h ILE 250 N 0.00 1.05 -0.08 2.45 3.07 -1.96 -0.78 117.51 121.26 2pfk h ILE 250 Ca 0.00 -0.17 0.02 0.00 1.55 0.00 0.00 64.86 66.27 2pfk h ILE 250 Cb 0.65 0.97 -0.00 0.00 -0.27 0.00 0.00 36.82 38.17 2pfk h ILE 250 CO 0.00 0.06 0.10 1.56 -1.05 0.00 0.00 178.15 178.82 2pfk h GLN 251 N 0.12 0.00 0.00 0.16 4.20 -1.51 -2.47 115.11 115.61 2pfk h GLN 251 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2pfk h GLN 251 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2pfk h GLN 251 CO -0.00 0.00 -0.28 0.00 -0.67 0.00 0.00 178.83 177.87 2pfk h ARG 252 N 0.00 0.00 -5.46 1.46 2.47 -1.36 -3.39 114.38 108.10 2pfk h ARG 252 Ca 0.04 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 58.11 2pfk h ARG 252 Cb 0.24 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.43 2pfk h ARG 252 CO -0.00 0.00 -0.54 0.20 0.56 0.00 0.00 179.97 180.19 2pfk s GLY 253 N -4.11 2.75 0.00 0.04 0.00 -0.93 -4.02 107.32 101.05 2pfk s GLY 253 Ca 0.06 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.48 2pfk s GLY 253 CO 0.69 -2.13 0.00 0.61 0.00 0.00 0.00 173.10 172.27 2pfk n GLY 254 N -1.16 1.95 3.72 0.20 0.00 -1.26 -4.96 105.19 103.68 2pfk n GLY 254 Ca -0.12 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.38 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 6.87 0.38 1.61 0.15 -1.26 -3.63 113.70 117.82 2pfk s SER 255 Ca 0.00 2.29 -0.28 0.00 0.70 0.00 0.00 55.95 58.66 2pfk s SER 255 Cb 0.00 -2.59 -0.11 0.00 -1.71 0.00 0.00 66.02 61.61 2pfk s SER 255 CO 0.00 -0.62 1.48 -2.16 1.20 0.00 0.00 173.24 173.15 2pfk s PRO 256 N 0.99 4.08 0.78 5.44 0.04 -1.26 -4.97 135.00 140.10 2pfk s PRO 256 Ca 0.63 2.56 -0.11 0.00 0.04 0.00 0.00 61.00 64.12 2pfk s PRO 256 Cb -0.36 -2.95 0.06 0.00 0.04 0.00 0.00 34.50 31.29 2pfk s PRO 256 CO 0.31 -0.55 1.08 0.14 0.04 0.00 0.00 177.00 178.02 2pfk s VAL 257 N -1.13 3.35 0.27 -0.36 -7.23 -1.26 -4.75 120.40 109.29 2pfk s VAL 257 Ca 0.53 0.44 -0.01 0.00 -1.81 0.00 0.00 61.98 61.13 2pfk s VAL 257 Cb -0.46 -3.06 0.28 0.00 0.56 0.00 0.00 36.38 33.69 2pfk s VAL 257 CO 0.63 -0.57 1.67 -0.65 -0.31 0.00 0.00 175.10 175.86 2pfk h PRO 258 N -1.08 0.25 -0.23 4.82 0.11 -1.99 -1.02 132.00 132.86 2pfk h PRO 258 Ca -0.46 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.69 2pfk h PRO 258 Cb 1.24 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 2pfk h PRO 258 CO 0.55 0.16 -0.10 -0.92 -0.21 0.00 0.00 178.00 177.49 2pfk h TYR 259 N 0.26 -0.23 -0.74 0.65 3.20 -1.99 -1.01 116.97 117.11 2pfk h TYR 259 Ca 0.50 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.35 2pfk h TYR 259 Cb 0.94 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 2pfk h TYR 259 CO -0.25 -0.15 0.31 -0.44 -1.64 0.00 0.00 178.16 175.98 2pfk h ASP 260 N -0.06 1.01 -0.59 -2.11 3.32 -1.56 -0.13 116.42 116.29 2pfk h ASP 260 Ca 0.12 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.04 2pfk h ASP 260 Cb 0.25 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 2pfk h ASP 260 CO -0.28 0.90 0.35 0.03 -1.72 0.00 0.00 179.24 178.52 2pfk h ARG 261 N 1.06 0.67 -0.08 3.56 3.08 -0.93 0.12 114.38 121.86 2pfk h ARG 261 Ca 0.25 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 2pfk h ARG 261 Cb 0.19 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2pfk h ARG 261 CO -0.02 0.44 -0.08 0.82 -1.07 0.00 0.00 179.97 180.06 2pfk h ILE 262 N 0.69 1.37 -0.18 2.04 2.04 -0.97 -1.59 117.51 120.92 2pfk h ILE 262 Ca 0.24 -1.24 0.03 0.00 1.00 0.00 0.00 64.86 64.89 2pfk h ILE 262 Cb 0.05 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 2pfk h ILE 262 CO -0.11 0.35 -0.03 0.25 0.00 0.00 0.00 178.15 178.61 2pfk h LEU 263 N -0.22 -0.13 -0.63 1.44 5.85 -0.92 0.17 115.31 120.87 2pfk h LEU 263 Ca 0.01 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2pfk h LEU 263 Cb 0.60 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 2pfk h LEU 263 CO 0.02 -0.04 0.24 0.00 -0.34 0.00 0.00 178.44 178.32 2pfk h ALA 264 N 1.17 0.82 0.70 1.25 0.00 -1.00 -0.18 119.26 122.01 2pfk h ALA 264 Ca 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2pfk h ALA 264 Cb 0.12 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.67 2pfk h ALA 264 CO -0.17 0.45 -0.34 0.77 0.00 0.00 0.00 179.25 179.96 2pfk h SER 265 N 0.89 -0.80 -0.12 0.00 0.02 -0.91 0.15 113.55 112.78 2pfk h SER 265 Ca 0.21 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.21 2pfk h SER 265 Cb 0.23 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 2pfk h SER 265 CO -0.01 -0.57 -0.05 0.03 -1.14 0.00 0.00 176.83 175.09 2pfk h ARG 266 N -0.94 -0.03 -0.82 3.45 3.08 -0.54 -2.08 114.38 116.51 2pfk h ARG 266 Ca -0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 2pfk h ARG 266 Cb 0.72 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 2pfk h ARG 266 CO 0.16 -0.02 0.45 0.52 -1.07 0.00 0.00 179.97 180.01 2pfk h MET 267 N -0.03 1.14 0.19 0.04 2.86 -1.00 -1.37 114.93 116.77 2pfk h MET 267 Ca 0.06 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2pfk h MET 267 Cb 0.12 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 2pfk h MET 267 CO -0.14 0.84 -0.37 0.78 1.06 0.00 0.00 176.91 179.08 2pfk h GLY 268 N 1.14 -0.76 0.76 8.32 0.00 -0.27 -1.69 103.07 110.56 2pfk h GLY 268 Ca 0.29 0.43 0.03 0.00 0.00 0.00 0.00 47.33 48.08 2pfk h GLY 268 CO -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 176.54 176.22 2pfk h ALA 269 N -0.11 0.14 -0.86 3.60 0.00 -1.23 -2.98 119.26 117.81 2pfk h ALA 269 Ca 0.01 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.08 2pfk h ALA 269 Cb 0.64 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 2pfk h ALA 269 CO -0.17 -0.44 0.55 -0.92 0.00 0.00 0.00 179.25 178.27 2pfk h TYR 270 N 0.06 0.83 -0.66 0.00 3.20 -1.04 -2.45 116.97 116.90 2pfk h TYR 270 Ca 0.07 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.00 2pfk h TYR 270 Cb 0.09 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.05 2pfk h TYR 270 CO -0.15 0.35 0.40 0.00 -1.64 0.00 0.00 178.16 177.12 2pfk h ALA 271 N 1.59 0.87 -0.28 1.82 0.00 -1.15 -1.61 119.26 120.51 2pfk h ALA 271 Ca 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2pfk h ALA 271 Cb 0.56 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2pfk h ALA 271 CO -0.18 0.14 0.15 0.82 0.00 0.00 0.00 179.25 180.18 2pfk h ILE 272 N 0.77 1.13 -0.21 0.00 1.08 -1.48 -1.50 117.51 117.30 2pfk h ILE 272 Ca 0.28 -0.35 0.03 0.00 -0.39 0.00 0.00 64.86 64.43 2pfk h ILE 272 Cb 0.07 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 2pfk h ILE 272 CO -0.13 0.13 0.01 0.44 -0.69 0.00 0.00 178.15 177.91 2pfk h ASP 273 N 0.33 -0.07 0.09 1.72 3.45 -1.20 -1.75 116.42 118.99 2pfk h ASP 273 Ca 0.10 0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.60 2pfk h ASP 273 Cb 0.08 0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 38.92 2pfk h ASP 273 CO -0.01 -0.01 -0.06 -0.07 -1.57 0.00 0.00 179.24 177.52 2pfk h LEU 274 N 0.08 -0.14 -0.25 1.55 3.38 -1.20 -1.48 115.31 117.25 2pfk h LEU 274 Ca 0.10 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.14 2pfk h LEU 274 Cb 0.12 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 2pfk h LEU 274 CO -0.16 -0.09 -0.18 -0.07 0.09 0.00 0.00 178.44 178.02 2pfk h LEU 275 N -0.15 -0.58 -1.75 1.67 3.38 -1.04 -2.14 115.31 114.70 2pfk h LEU 275 Ca -0.01 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2pfk h LEU 275 Cb 0.13 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2pfk h LEU 275 CO 0.01 -0.22 -0.10 -0.07 0.09 0.00 0.00 178.44 178.15 2pfk h LEU 276 N -0.17 0.03 0.00 1.67 3.38 -1.12 -1.54 115.31 117.56 2pfk h LEU 276 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2pfk h LEU 276 Cb 0.38 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2pfk h LEU 276 CO -0.35 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.32 2pfk n ALA 277 N -2.52 2.38 -2.39 1.53 0.00 -0.57 -4.90 120.51 114.04 2pfk n ALA 277 Ca -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.23 2pfk n ALA 277 Cb 0.19 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.24 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 0.69 0.33 3.65 0.00 0.00 -0.58 -5.06 105.19 104.23 2pfk n GLY 278 Ca 0.16 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.08 2.86 0.09 1.61 1.51 -0.87 -5.04 117.35 114.45 2pfk s TYR 279 Ca 0.02 -0.11 -0.21 0.00 -1.01 0.00 0.00 57.07 55.76 2pfk s TYR 279 Cb -0.01 -1.44 0.05 0.00 -0.11 0.00 0.00 41.96 40.45 2pfk s TYR 279 CO 0.16 0.48 0.52 0.20 -1.11 0.00 0.00 175.55 175.81 2pfk s GLY 280 N -2.57 -0.46 -1.15 0.71 0.00 -1.26 -4.36 107.32 98.23 2pfk s GLY 280 Ca 0.25 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.42 2pfk s GLY 280 CO 0.17 0.15 0.00 0.61 0.00 0.00 0.00 173.10 174.03 2pfk n GLY 281 N 0.05 0.87 3.67 0.20 0.00 0.10 -4.89 105.19 105.19 2pfk n GLY 281 Ca -0.17 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.43 2.46 -0.04 1.61 1.81 -1.24 -0.49 118.95 119.62 2pfk s ARG 282 Ca 0.00 -0.91 0.04 0.00 -1.72 0.00 0.00 55.73 53.14 2pfk s ARG 282 Cb 0.00 -2.48 -0.00 0.00 -0.45 0.00 0.00 34.95 32.02 2pfk s ARG 282 CO 0.00 0.52 -0.16 0.00 -0.68 0.00 0.00 175.30 174.99 2pfk s VAL 284 N 0.12 4.79 0.23 0.00 1.01 0.13 -1.85 120.40 124.84 2pfk s VAL 284 Ca -0.05 0.73 -0.09 0.00 0.00 0.00 0.00 61.98 62.57 2pfk s VAL 284 Cb -0.12 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2pfk s VAL 284 CO 0.02 -0.14 0.38 -0.83 0.00 0.00 0.00 175.10 174.53 2pfk s GLY 285 N -2.32 0.79 -0.20 4.51 0.00 -0.51 -4.39 107.32 105.20 2pfk s GLY 285 Ca 0.51 -1.11 -0.00 0.00 0.00 0.00 0.00 44.72 44.12 2pfk s GLY 285 CO 0.19 -0.85 -0.15 -1.50 0.00 0.00 0.00 173.10 170.80 2pfk s ILE 286 N -4.06 2.43 -0.19 0.90 2.07 -1.26 -0.74 121.20 120.36 2pfk s ILE 286 Ca 0.27 -0.89 -0.02 0.00 -1.41 0.00 0.00 60.65 58.61 2pfk s ILE 286 Cb 0.02 -2.09 0.06 0.00 0.13 0.00 0.00 42.46 40.57 2pfk s ILE 286 CO 0.10 0.45 0.01 -1.10 -1.91 0.00 0.00 174.94 172.49 2pfk s GLN 287 N 1.33 0.87 -1.06 3.50 -0.21 0.15 -1.03 119.66 123.20 2pfk s GLN 287 Ca 0.04 -0.47 -0.02 0.00 0.02 0.00 0.00 55.36 54.93 2pfk s GLN 287 Cb -0.14 -2.09 -0.02 0.00 1.00 0.00 0.00 33.01 31.77 2pfk s GLN 287 CO -0.10 -0.59 0.89 0.09 -2.12 0.00 0.00 175.29 173.47 2pfk n ASN 288 N 4.98 -3.25 -1.50 5.90 5.03 -1.26 -2.32 115.26 122.84 2pfk n ASN 288 Ca -0.10 -0.59 -0.19 0.00 0.87 0.00 0.00 54.58 54.57 2pfk n ASN 288 Cb 0.47 -4.76 -0.08 0.00 -1.02 0.00 0.00 39.78 34.39 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 -3.64 -1.46 -4.71 3.52 -0.58 -1.26 -4.96 120.64 107.55 2pfk n GLU 289 Ca -0.21 1.14 -0.29 0.00 -0.42 0.00 0.00 57.16 57.38 2pfk n GLU 289 Cb 0.64 -5.51 -0.14 0.00 -0.57 0.00 0.00 31.44 25.86 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 -3.60 1.64 0.10 3.49 -0.21 -0.98 -5.12 119.66 114.98 2pfk s GLN 290 Ca 0.00 -1.18 -0.28 0.00 0.02 0.00 0.00 55.36 53.92 2pfk s GLN 290 Cb 0.00 -1.92 -0.06 0.00 1.00 0.00 0.00 33.01 32.03 2pfk s GLN 290 CO 0.00 0.48 0.88 -0.51 -2.12 0.00 0.00 175.29 174.02 2pfk s LEU 291 N -1.52 4.50 0.32 2.90 1.43 -1.26 0.31 118.68 125.36 2pfk s LEU 291 Ca 0.12 1.67 0.03 0.00 -1.03 0.00 0.00 54.13 54.92 2pfk s LEU 291 Cb -0.10 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 2pfk s LEU 291 CO 0.03 -0.00 0.14 0.68 0.23 0.00 0.00 176.35 177.43 2pfk s VAL 292 N -0.17 0.47 -0.18 -1.59 -7.23 0.08 -4.90 120.40 106.88 2pfk s VAL 292 Ca 0.43 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.40 2pfk s VAL 292 Cb -0.22 -2.52 0.05 0.00 0.56 0.00 0.00 36.38 34.25 2pfk s VAL 292 CO 0.27 0.00 0.55 -1.38 -0.31 0.00 0.00 175.10 174.23 2pfk s HIS 293 N -3.52 -0.59 0.24 2.82 -3.43 -1.26 -1.43 115.29 108.13 2pfk s HIS 293 Ca 0.34 1.38 0.05 0.00 -0.80 0.00 0.00 55.06 56.03 2pfk s HIS 293 Cb 0.05 0.22 -0.05 0.00 -1.43 0.00 0.00 32.58 31.37 2pfk s HIS 293 CO 0.17 -0.32 -0.04 -1.01 -2.00 0.00 0.00 174.74 171.53 2pfk s HIS 294 N 0.08 1.70 0.34 0.38 3.76 -0.77 -4.95 115.29 115.83 2pfk s HIS 294 Ca -0.02 -0.80 -0.27 0.00 -0.15 0.00 0.00 55.06 53.82 2pfk s HIS 294 Cb -0.04 -0.96 -0.09 0.00 1.11 0.00 0.00 32.58 32.60 2pfk s HIS 294 CO 0.02 0.12 1.13 0.34 -0.85 0.00 0.00 174.74 175.50 2pfk s ASP 295 N -3.35 6.92 0.19 1.40 2.15 -1.26 -0.93 116.67 121.78 2pfk s ASP 295 Ca 0.28 2.29 -0.11 0.00 0.43 0.00 0.00 52.55 55.43 2pfk s ASP 295 Cb 0.04 -2.62 0.11 0.00 -0.30 0.00 0.00 42.92 40.16 2pfk s ASP 295 CO 0.09 -0.39 1.80 0.40 -0.17 0.00 0.00 175.17 176.90 2pfk h ILE 296 N 2.71 1.21 -0.30 4.11 2.04 -1.12 -2.42 117.51 123.75 2pfk h ILE 296 Ca -0.48 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 2pfk h ILE 296 Cb 1.22 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2pfk h ILE 296 CO 0.65 0.23 0.07 0.40 0.00 0.00 0.00 178.15 179.50 2pfk h ILE 297 N 0.91 1.22 0.15 -0.67 5.03 -1.92 -1.04 117.51 121.18 2pfk h ILE 297 Ca 0.23 -0.72 0.01 0.00 -0.12 0.00 0.00 64.86 64.26 2pfk h ILE 297 Cb 0.05 1.13 -0.04 0.00 -3.03 0.00 0.00 36.82 34.93 2pfk h ILE 297 CO -0.04 0.24 -0.42 -0.78 -0.68 0.00 0.00 178.15 176.47 2pfk h ASP 298 N 0.32 -1.26 0.03 1.72 -0.00 -1.94 1.42 116.42 116.71 2pfk h ASP 298 Ca 0.09 0.13 -0.00 0.00 -0.00 0.00 0.00 57.03 57.25 2pfk h ASP 298 Cb 0.29 0.46 -0.00 0.00 -0.00 0.00 0.00 39.33 40.08 2pfk h ASP 298 CO 0.00 -0.46 -0.01 0.00 -0.00 0.00 0.00 179.24 178.77 2pfk h ALA 299 N -0.80 1.50 0.06 -0.78 0.00 -1.42 -1.61 119.26 116.21 2pfk h ALA 299 Ca -0.01 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.55 2pfk h ALA 299 Cb 0.63 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2pfk h ALA 299 CO -0.20 0.01 -1.87 -0.89 0.00 0.00 0.00 179.25 176.30 2pfk n ILE 300 N -3.82 1.65 -0.07 0.00 5.41 -0.40 -4.46 119.36 117.68 2pfk n ILE 300 Ca -0.03 -0.42 -0.05 0.00 1.00 0.00 0.00 62.75 63.25 2pfk n ILE 300 Cb 0.09 -1.81 -0.02 0.00 -0.71 0.00 0.00 39.64 37.19 2pfk n ILE 300 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2pfk n GLU 301 N -3.83 0.41 -0.05 0.38 1.02 0.48 -4.76 120.64 114.28 2pfk n GLU 301 Ca -0.36 0.37 -0.03 0.00 -0.02 0.00 0.00 57.16 57.12 2pfk n GLU 301 Cb 0.91 -1.45 0.20 0.00 -0.02 0.00 0.00 31.44 31.08 2pfk n GLU 301 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2pfk h ASN 302 N -0.85 0.63 -4.02 1.62 -0.26 -1.45 -3.46 115.58 107.80 2pfk h ASN 302 Ca 0.00 -0.16 -0.50 0.00 -0.56 0.00 0.00 56.30 55.09 2pfk h ASN 302 Cb 0.60 -0.17 0.05 0.00 -1.06 0.00 0.00 38.32 37.74 2pfk h ASN 302 CO 0.00 0.74 0.28 -0.04 -1.06 0.00 0.00 177.43 177.35 2pfk s MET 303 N -4.87 3.38 0.00 0.81 -1.94 -0.68 -5.05 119.30 110.94 2pfk s MET 303 Ca -0.08 0.42 0.00 0.00 -1.71 0.00 0.00 55.69 54.32 2pfk s MET 303 Cb 0.15 -2.20 0.00 0.00 2.01 0.00 0.00 34.83 34.79 2pfk s MET 303 CO 0.80 -0.54 0.00 1.17 -0.01 0.00 0.00 175.02 176.44