#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h65 s LYS 2 N 0.00 3.97 -0.16 2.12 2.20 -1.26 -0.69 119.74 125.91 3h65 s LYS 2 Ca 0.00 -0.35 -0.00 0.00 -0.36 0.00 0.00 55.97 55.26 3h65 s LYS 2 Cb 0.00 -3.20 -0.00 0.00 -1.51 0.00 0.00 37.83 33.11 3h65 s LYS 2 CO 0.00 0.28 -0.13 0.42 -0.36 0.00 0.00 175.35 175.55 3h65 s ILE 3 N 0.36 2.84 -0.12 5.43 1.01 -0.48 0.12 121.20 130.36 3h65 s ILE 3 Ca 0.03 -0.71 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 3h65 s ILE 3 Cb -0.12 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 3h65 s ILE 3 CO 0.00 0.50 0.23 0.00 0.00 0.00 0.00 174.94 175.67 3h65 s ALA 4 N 0.84 3.75 -0.23 9.38 0.00 -0.62 -1.87 121.76 133.01 3h65 s ALA 4 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3h65 s ALA 4 Cb -0.15 -2.18 0.03 0.00 0.00 0.00 0.00 23.12 20.82 3h65 s ALA 4 CO -0.00 0.40 -0.12 0.42 0.00 0.00 0.00 175.76 176.46 3h65 s ILE 5 N -0.47 2.47 -0.49 0.00 1.01 0.28 -0.17 121.20 123.82 3h65 s ILE 5 Ca 0.16 -1.13 -0.17 0.00 0.00 0.00 0.00 60.65 59.51 3h65 s ILE 5 Cb -0.13 -2.23 0.08 0.00 0.01 0.00 0.00 42.46 40.18 3h65 s ILE 5 CO 0.05 0.25 0.47 -0.76 0.00 0.00 0.00 174.94 174.96 3h65 s LEU 6 N 1.26 5.53 0.00 2.97 1.43 0.35 -0.23 118.68 129.99 3h65 s LEU 6 Ca -0.00 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 3h65 s LEU 6 Cb -0.16 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.81 3h65 s LEU 6 CO -0.07 -0.75 0.00 0.61 0.23 0.00 0.00 176.35 176.37 3h65 n GLY 7 N 5.20 2.15 0.13 -3.19 0.00 0.79 0.35 105.19 110.63 3h65 n GLY 7 Ca -0.11 -1.08 0.04 0.00 0.00 0.00 0.00 46.02 44.88 3h65 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h65 h ALA 8 N 0.00 0.67 0.00 4.61 0.00 -1.82 -3.42 119.26 119.30 3h65 h ALA 8 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3h65 h ALA 8 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3h65 h ALA 8 CO 0.00 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.20 3h65 n GLY 9 N 1.27 -1.22 3.13 0.00 0.00 -1.26 -4.17 105.19 102.93 3h65 n GLY 9 Ca -0.03 -1.60 -0.20 0.00 0.00 0.00 0.00 46.02 44.20 3h65 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h65 n TYR 11 N 2.11 0.76 -0.33 0.00 9.36 -0.50 -4.45 117.16 124.10 3h65 n TYR 11 Ca -0.17 0.22 0.05 0.00 3.32 0.00 0.00 57.90 61.32 3h65 n TYR 11 Cb 0.55 -0.85 0.21 0.00 -0.63 0.00 0.00 39.34 38.61 3h65 n TYR 11 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 3h65 h ARG 12 N 0.00 0.89 0.00 2.98 0.11 -1.94 0.27 114.38 116.69 3h65 h ARG 12 Ca 0.00 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 3h65 h ARG 12 Cb 0.70 -0.20 -0.00 0.00 1.11 0.00 0.00 29.97 31.57 3h65 h ARG 12 CO 0.00 0.59 -0.07 1.79 0.10 0.00 0.00 179.97 182.38 3h65 h THR 13 N 0.92 0.13 -0.09 0.08 1.35 -1.99 -1.68 112.91 111.62 3h65 h THR 13 Ca 0.45 -1.07 -0.12 0.00 -0.55 0.00 0.00 66.41 65.12 3h65 h THR 13 Cb 0.42 1.96 0.01 0.00 -1.73 0.00 0.00 68.15 68.81 3h65 h THR 13 CO -0.26 0.07 -0.43 0.45 -0.25 0.00 0.00 175.52 175.11 3h65 h HIS 14 N 0.00 0.60 -0.58 4.73 3.86 -1.26 -2.34 115.15 120.16 3h65 h HIS 14 Ca -0.00 -0.26 0.06 0.00 -1.16 0.00 0.00 60.37 59.01 3h65 h HIS 14 Cb 0.95 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 29.27 3h65 h HIS 14 CO 0.00 1.02 0.28 0.00 0.86 0.00 0.00 177.93 180.10 3h65 h ALA 15 N 0.45 0.76 -0.28 2.45 0.00 -1.28 -3.08 119.26 118.28 3h65 h ALA 15 Ca -0.03 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3h65 h ALA 15 Cb 1.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3h65 h ALA 15 CO 0.09 -0.08 -0.18 0.00 0.00 0.00 0.00 179.25 179.08 3h65 h ALA 16 N 1.34 1.17 -0.42 0.00 0.00 -1.26 -2.87 119.26 117.22 3h65 h ALA 16 Ca 0.27 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3h65 h ALA 16 Cb 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3h65 h ALA 16 CO -0.21 0.53 0.07 0.00 0.00 0.00 0.00 179.25 179.64 3h65 h ALA 17 N 1.35 1.34 0.00 0.00 0.00 -1.32 -3.47 119.26 117.16 3h65 h ALA 17 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3h65 h ALA 17 Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3h65 h ALA 17 CO 0.04 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.16 3h65 n GLY 18 N -0.92 0.61 0.18 0.00 0.00 -1.09 -4.86 105.19 99.12 3h65 n GLY 18 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 3h65 n GLY 18 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3h65 n ILE 19 N -2.75 0.36 -4.15 -0.61 -5.35 -1.26 -5.09 119.36 100.51 3h65 n ILE 19 Ca 0.00 -0.40 -0.24 0.00 -0.27 0.00 0.00 62.75 61.84 3h65 n ILE 19 Cb 0.00 0.61 -0.07 0.00 -1.74 0.00 0.00 39.64 38.44 3h65 n ILE 19 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3h65 s THR 20 N -0.48 2.60 0.03 7.28 -4.23 -1.26 -5.15 115.64 114.43 3h65 s THR 20 Ca 0.04 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 3h65 s THR 20 Cb 0.03 -2.95 -0.00 0.00 1.34 0.00 0.00 72.50 70.92 3h65 s THR 20 CO 0.00 -0.10 0.03 -0.46 -0.54 0.00 0.00 174.62 173.56 3h65 n ASN 21 N -1.16 -0.09 -1.53 3.99 0.23 -1.26 -5.05 115.26 110.38 3h65 n ASN 21 Ca -0.02 -1.16 -0.02 0.00 -0.53 0.00 0.00 54.58 52.86 3h65 n ASN 21 Cb 0.63 0.18 0.27 0.00 -2.08 0.00 0.00 39.78 38.79 3h65 n ASN 21 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 3h65 n PHE 22 N -0.05 1.78 -0.15 -2.53 3.01 -1.26 -3.27 117.46 115.00 3h65 n PHE 22 Ca 0.00 -1.19 -0.05 0.00 1.01 0.00 0.00 57.45 57.22 3h65 n PHE 22 Cb 0.05 -0.55 0.02 0.00 -0.01 0.00 0.00 39.48 38.98 3h65 n PHE 22 CO 0.00 0.00 0.00 1.98 1.01 0.00 0.00 176.76 179.75 3h65 h MET 23 N 2.11 -0.13 -0.27 -1.08 4.05 -1.66 0.16 114.93 118.11 3h65 h MET 23 Ca 0.19 0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.50 3h65 h MET 23 Cb 1.97 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 32.79 3h65 h MET 23 CO 0.53 -0.09 -0.28 -0.09 0.23 0.00 0.00 176.91 177.21 3h65 h ARG 24 N -0.13 0.67 -1.01 0.39 9.65 -0.87 -1.02 114.38 122.06 3h65 h ARG 24 Ca 0.22 -0.36 0.02 0.00 -1.10 0.00 0.00 59.98 58.76 3h65 h ARG 24 Cb 0.48 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.02 3h65 h ARG 24 CO -0.55 0.97 0.66 0.00 2.80 0.00 0.00 179.97 183.85 3h65 h ALA 25 N 0.69 1.30 -0.70 2.80 0.00 -0.91 -0.60 119.26 121.84 3h65 h ALA 25 Ca 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3h65 h ALA 25 Cb 0.85 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3h65 h ALA 25 CO 0.07 0.62 0.37 0.00 0.00 0.00 0.00 179.25 180.31 3h65 h GLU 27 N 0.97 0.50 -0.46 0.00 5.08 -0.70 -1.59 114.58 118.37 3h65 h GLU 27 Ca 0.25 -0.23 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 3h65 h GLU 27 Cb 0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3h65 h GLU 27 CO -0.04 0.79 -0.18 0.28 -1.00 0.00 0.00 179.01 178.86 3h65 h VAL 28 N 0.42 1.27 -0.50 3.13 2.07 -0.94 -2.09 116.25 119.61 3h65 h VAL 28 Ca 0.04 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 3h65 h VAL 28 Cb 0.83 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3h65 h VAL 28 CO 0.07 0.46 0.29 0.00 0.02 0.00 0.00 177.57 178.41 3h65 h ALA 29 N 0.86 0.64 -0.50 1.67 0.00 -1.00 -1.37 119.26 119.56 3h65 h ALA 29 Ca 0.11 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3h65 h ALA 29 Cb 0.75 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3h65 h ALA 29 CO 0.06 0.14 -0.12 -0.22 0.00 0.00 0.00 179.25 179.12 3h65 h LYS 30 N 0.67 0.96 -0.43 0.00 3.64 -1.31 -1.10 116.57 119.00 3h65 h LYS 30 Ca 0.18 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 3h65 h LYS 30 Cb 0.02 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3h65 h LYS 30 CO -0.03 1.03 0.21 1.49 -2.27 0.00 0.00 179.45 179.88 3h65 h GLU 31 N 0.81 0.62 -0.02 1.90 4.57 -0.90 -3.06 114.58 118.50 3h65 h GLU 31 Ca 0.13 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3h65 h GLU 31 Cb 0.68 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 3h65 h GLU 31 CO 0.05 0.53 -0.06 1.33 -1.18 0.00 0.00 179.01 179.68 3h65 n VAL 32 N -4.67 0.00 -2.07 0.32 0.24 -0.56 -4.97 118.33 106.62 3h65 n VAL 32 Ca 0.01 -0.36 -0.06 0.00 -2.04 0.00 0.00 64.34 61.88 3h65 n VAL 32 Cb 0.11 1.04 -0.00 0.00 -1.47 0.00 0.00 33.84 33.51 3h65 n VAL 32 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h65 n GLY 33 N 1.29 0.15 2.81 7.63 0.00 -0.79 -5.03 105.19 111.25 3h65 n GLY 33 Ca 0.15 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 3h65 n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h65 s LYS 34 N -4.21 1.45 0.49 1.61 1.02 -0.48 -5.00 119.74 114.61 3h65 s LYS 34 Ca 0.00 -2.09 0.24 0.00 0.02 0.00 0.00 55.97 54.14 3h65 s LYS 34 Cb 0.00 -2.66 1.31 0.00 -0.52 0.00 0.00 37.83 35.96 3h65 s LYS 34 CO 0.00 -1.11 1.91 -1.35 -0.92 0.00 0.00 175.35 173.88 3h65 h PRO 35 N 6.86 0.15 -0.50 -1.68 0.11 -1.96 -1.95 132.00 133.03 3h65 h PRO 35 Ca -0.05 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.12 3h65 h PRO 35 Cb 0.93 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 3h65 h PRO 35 CO 0.54 0.10 0.34 0.93 -0.21 0.00 0.00 178.00 179.70 3h65 h GLU 36 N 0.15 0.38 -0.30 1.05 3.07 -1.93 -1.60 114.58 115.41 3h65 h GLU 36 Ca 0.38 -0.02 0.09 0.00 -0.50 0.00 0.00 59.36 59.30 3h65 h GLU 36 Cb 1.28 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.09 3h65 h GLU 36 CO -0.06 0.25 0.23 0.82 -1.40 0.00 0.00 179.01 178.85 3h65 h ILE 37 N 0.39 0.77 0.00 3.13 2.04 -1.68 -2.63 117.51 119.54 3h65 h ILE 37 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 3h65 h ILE 37 Cb 0.36 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3h65 h ILE 37 CO -0.06 0.00 0.07 0.00 0.00 0.00 0.00 178.15 178.16 3h65 h ALA 38 N 1.82 1.06 -0.09 1.87 0.00 -1.37 -1.97 119.26 120.58 3h65 h ALA 38 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3h65 h ALA 38 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3h65 h ALA 38 CO -0.00 -0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.46 3h65 n LEU 39 N -2.98 2.57 -4.78 0.00 4.77 -0.99 -4.35 117.00 111.24 3h65 n LEU 39 Ca -0.03 -1.13 -0.33 0.00 -0.03 0.00 0.00 56.01 54.49 3h65 n LEU 39 Cb 0.13 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 3h65 n LEU 39 CO 0.18 0.49 0.74 0.42 -1.33 0.00 0.00 177.39 177.88 3h65 s THR 40 N -1.38 3.33 0.20 -5.08 -4.23 -0.74 -4.29 115.64 103.46 3h65 s THR 40 Ca 0.22 0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 61.34 3h65 s THR 40 Cb 0.15 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 3h65 s THR 40 CO 0.22 -0.39 0.13 -1.38 -0.54 0.00 0.00 174.62 172.66 3h65 s HIS 41 N -2.38 1.17 0.00 3.99 -3.43 -1.26 -4.74 115.29 108.65 3h65 s HIS 41 Ca 0.66 -1.36 0.00 0.00 -0.80 0.00 0.00 55.06 53.56 3h65 s HIS 41 Cb -0.20 -0.58 0.00 0.00 -1.43 0.00 0.00 32.58 30.37 3h65 s HIS 41 CO 0.41 -0.62 0.00 0.43 -2.00 0.00 0.00 174.74 172.96 3h65 n SER 42 N -0.28 0.00 0.01 7.38 7.64 -1.26 -1.32 113.62 125.79 3h65 n SER 42 Ca 0.02 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.01 3h65 n SER 42 Cb 0.66 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 64.35 3h65 n SER 42 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3h65 n SER 43 N 3.60 0.07 0.00 6.43 3.41 -1.26 -2.50 113.62 123.38 3h65 n SER 43 Ca 0.00 0.51 -0.15 0.00 -0.26 0.00 0.00 58.87 58.97 3h65 n SER 43 Cb 0.00 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.39 3h65 n SER 43 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3h65 h ILE 44 N 0.00 1.31 0.05 -1.33 1.08 -1.41 -1.64 117.51 115.57 3h65 h ILE 44 Ca 0.00 -2.02 -0.00 0.00 -0.39 0.00 0.00 64.86 62.45 3h65 h ILE 44 Cb 0.42 2.01 0.00 0.00 -3.07 0.00 0.00 36.82 36.18 3h65 h ILE 44 CO 0.00 0.63 -0.02 0.74 -0.69 0.00 0.00 178.15 178.81 3h65 h THR 45 N 0.46 0.98 -0.71 -0.27 2.02 -1.26 0.14 112.91 114.27 3h65 h THR 45 Ca -0.04 -0.08 0.13 0.00 0.77 0.00 0.00 66.41 67.19 3h65 h THR 45 Cb 1.36 1.03 -0.13 0.00 -1.74 0.00 0.00 68.15 68.67 3h65 h THR 45 CO 0.15 0.02 -0.26 1.88 0.37 0.00 0.00 175.52 177.68 3h65 h TYR 46 N -0.10 -0.66 -0.26 3.16 -1.99 -1.50 -0.80 116.97 114.82 3h65 h TYR 46 Ca -0.01 0.07 -0.05 0.00 2.00 0.00 0.00 58.73 60.75 3h65 h TYR 46 Cb 0.09 0.40 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 3h65 h TYR 46 CO -0.06 -0.35 -0.03 0.78 -0.00 0.00 0.00 178.16 178.49 3h65 h GLY 47 N -0.06 0.51 1.05 3.88 0.00 -0.93 -1.65 103.07 105.87 3h65 h GLY 47 Ca 0.31 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3h65 h GLY 47 CO -0.76 0.36 0.54 0.00 0.00 0.00 0.00 176.54 176.68 3h65 h ALA 48 N 0.79 1.22 -0.36 3.60 0.00 -0.49 -1.12 119.26 122.90 3h65 h ALA 48 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3h65 h ALA 48 Cb 0.47 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3h65 h ALA 48 CO 0.02 0.66 0.20 0.93 0.00 0.00 0.00 179.25 181.06 3h65 h GLU 49 N 1.27 0.50 -0.47 0.00 5.08 -1.05 -2.27 114.58 117.64 3h65 h GLU 49 Ca 0.33 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 3h65 h GLU 49 Cb -0.03 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3h65 h GLU 49 CO -0.06 0.40 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.13 3h65 h LEU 50 N 0.46 0.96 -0.30 1.33 3.38 -0.95 0.32 115.31 120.50 3h65 h LEU 50 Ca 0.13 -0.38 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 3h65 h LEU 50 Cb 0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3h65 h LEU 50 CO -0.02 1.12 -0.25 0.25 0.09 0.00 0.00 178.44 179.62 3h65 h LEU 51 N 0.79 0.75 0.00 1.67 5.85 -1.24 -3.11 115.31 120.01 3h65 h LEU 51 Ca 0.11 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3h65 h LEU 51 Cb 0.72 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3h65 h LEU 51 CO 0.06 1.05 -1.51 1.41 -0.34 0.00 0.00 178.44 179.10 3h65 n HIS 52 N -4.28 0.28 -0.01 1.25 8.25 -0.86 -4.43 115.22 115.42 3h65 n HIS 52 Ca -0.03 0.08 0.08 0.00 -0.26 0.00 0.00 57.72 57.58 3h65 n HIS 52 Cb 0.45 -0.56 -0.12 0.00 1.12 0.00 0.00 29.99 30.89 3h65 n HIS 52 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h65 n LEU 53 N -2.24 0.00 -4.35 2.41 4.77 0.10 -4.95 117.00 112.73 3h65 n LEU 53 Ca -0.01 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.62 3h65 n LEU 53 Cb 0.52 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 3h65 n LEU 53 CO 0.43 0.00 -0.38 -0.69 -1.33 0.00 0.00 177.39 175.43 3h65 s VAL 54 N -3.05 3.49 0.12 4.08 1.01 -1.17 -4.86 120.40 120.02 3h65 s VAL 54 Ca -0.06 -0.46 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 3h65 s VAL 54 Cb 0.10 -2.57 -0.06 0.00 0.00 0.00 0.00 36.38 33.84 3h65 s VAL 54 CO 0.63 0.44 1.71 1.55 0.00 0.00 0.00 175.10 179.42 3h65 h PRO 55 N 7.79 -0.03 -0.00 2.72 0.13 -1.90 -3.14 132.00 137.57 3h65 h PRO 55 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3h65 h PRO 55 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3h65 h PRO 55 CO 0.60 -0.02 -0.04 -3.47 -0.23 0.00 0.00 178.00 174.84 3h65 n ASP 56 N -5.18 0.12 -4.61 1.44 2.03 -1.26 -4.70 116.55 104.39 3h65 n ASP 56 Ca -0.04 -0.19 -0.43 0.00 0.52 0.00 0.00 54.79 54.65 3h65 n ASP 56 Cb 0.11 -0.24 -0.02 0.00 -0.72 0.00 0.00 41.12 40.25 3h65 n ASP 56 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3h65 s VAL 57 N -2.60 3.93 -0.19 5.18 1.01 -1.19 -1.70 120.40 124.84 3h65 s VAL 57 Ca 0.27 0.98 0.16 0.00 0.00 0.00 0.00 61.98 63.39 3h65 s VAL 57 Cb 0.20 -4.12 -0.24 0.00 0.00 0.00 0.00 36.38 32.22 3h65 s VAL 57 CO 0.48 -0.62 0.11 0.29 0.00 0.00 0.00 175.10 175.35 3h65 n LYS 58 N 7.85 0.68 -3.74 2.72 4.76 0.13 -4.83 118.16 125.73 3h65 n LYS 58 Ca 0.17 0.04 -0.12 0.00 -2.87 0.00 0.00 58.31 55.52 3h65 n LYS 58 Cb 0.47 -1.55 -0.13 0.00 -1.84 0.00 0.00 35.03 31.98 3h65 n LYS 58 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3h65 s GLU 59 N -2.50 0.22 -0.21 1.97 2.12 -1.21 -5.06 118.70 114.02 3h65 s GLU 59 Ca -0.12 0.50 0.01 0.00 0.36 0.00 0.00 54.97 55.73 3h65 s GLU 59 Cb 0.06 -0.08 0.05 0.00 0.26 0.00 0.00 34.13 34.42 3h65 s GLU 59 CO 0.81 -0.14 -0.10 0.08 -0.54 0.00 0.00 175.26 175.36 3h65 s VAL 60 N 1.09 1.72 -0.15 3.70 1.01 -1.26 -1.38 120.40 125.13 3h65 s VAL 60 Ca -0.08 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 60.75 3h65 s VAL 60 Cb -0.09 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 3h65 s VAL 60 CO -0.07 0.14 -0.01 -0.51 0.00 0.00 0.00 175.10 174.64 3h65 s ILE 61 N 1.35 4.13 -0.22 2.22 2.07 -0.78 -0.40 121.20 129.57 3h65 s ILE 61 Ca -0.02 -0.28 -0.07 0.00 -1.41 0.00 0.00 60.65 58.87 3h65 s ILE 61 Cb -0.17 -2.81 -0.03 0.00 0.13 0.00 0.00 42.46 39.58 3h65 s ILE 61 CO -0.08 0.50 0.07 -0.69 -1.91 0.00 0.00 174.94 172.83 3h65 s VAL 62 N 0.18 4.48 -0.09 4.00 1.01 0.32 -0.56 120.40 129.74 3h65 s VAL 62 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 3h65 s VAL 62 Cb -0.13 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3h65 s VAL 62 CO 0.02 0.38 -0.03 -0.55 0.00 0.00 0.00 175.10 174.92 3h65 s SER 63 N 1.16 4.96 -0.27 3.32 0.15 0.68 -1.59 113.70 122.11 3h65 s SER 63 Ca 0.04 0.04 -0.24 0.00 0.70 0.00 0.00 55.95 56.50 3h65 s SER 63 Cb -0.14 -1.42 0.08 0.00 -1.71 0.00 0.00 66.02 62.83 3h65 s SER 63 CO 0.03 0.34 0.74 -0.62 1.20 0.00 0.00 173.24 174.93 3h65 s ASP 64 N -0.65 -0.75 0.36 5.45 -1.08 -0.64 -0.15 116.67 119.21 3h65 s ASP 64 Ca 0.10 1.41 0.26 0.00 -0.52 0.00 0.00 52.55 53.80 3h65 s ASP 64 Cb -0.12 1.41 1.27 0.00 -1.46 0.00 0.00 42.92 44.02 3h65 s ASP 64 CO 0.02 -0.24 1.79 -0.65 0.52 0.00 0.00 175.17 176.61 3h65 h PRO 65 N 5.20 0.00 -0.24 4.34 0.11 -1.86 -2.83 132.00 136.72 3h65 h PRO 65 Ca -0.29 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.88 3h65 h PRO 65 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3h65 h PRO 65 CO 0.07 0.00 0.17 0.00 -0.21 0.00 0.00 178.00 178.03 3h65 n PHE 67 N -4.48 0.39 -0.64 0.00 3.72 -1.07 -1.57 117.46 113.81 3h65 n PHE 67 Ca 0.02 0.15 0.07 0.00 -0.05 0.00 0.00 57.45 57.65 3h65 n PHE 67 Cb 0.27 -0.75 0.19 0.00 -0.94 0.00 0.00 39.48 38.25 3h65 n PHE 67 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h65 n ALA 68 N -1.63 2.54 -2.41 4.37 0.00 -0.65 -4.88 120.51 117.85 3h65 n ALA 68 Ca 0.03 -1.85 -0.24 0.00 0.00 0.00 0.00 53.44 51.38 3h65 n ALA 68 Cb 0.20 -0.51 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 3h65 n ALA 68 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3h65 s GLU 69 N -2.07 2.28 -0.14 0.00 0.41 -0.61 -5.06 118.70 113.52 3h65 s GLU 69 Ca 0.31 -1.83 -0.00 0.00 -0.41 0.00 0.00 54.97 53.03 3h65 s GLU 69 Cb 0.23 -2.04 0.03 0.00 -1.78 0.00 0.00 34.13 30.56 3h65 s GLU 69 CO 0.09 -0.19 -0.09 -2.00 -0.49 0.00 0.00 175.26 172.59 3h65 s GLU 70 N -3.98 1.70 0.39 1.61 2.56 -1.25 -2.77 118.70 116.96 3h65 s GLU 70 Ca 0.40 -0.41 0.28 0.00 0.00 0.00 0.00 54.97 55.24 3h65 s GLU 70 Cb 0.02 -1.84 1.22 0.00 2.00 0.00 0.00 34.13 35.52 3h65 s GLU 70 CO 0.23 -0.31 1.85 -1.00 -0.56 0.00 0.00 175.26 175.46 3h65 h PRO 71 N 8.13 0.00 0.00 4.30 0.13 -1.94 -3.45 132.00 139.17 3h65 h PRO 71 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3h65 h PRO 71 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3h65 h PRO 71 CO 0.44 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.62 3h65 n GLY 72 N -0.12 1.05 3.65 1.56 0.00 0.66 -4.65 105.19 107.34 3h65 n GLY 72 Ca 0.01 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 3h65 n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h65 s LEU 73 N 0.00 4.18 -0.28 0.99 0.20 -1.22 -1.43 118.68 121.12 3h65 s LEU 73 Ca 0.00 2.04 -0.05 0.00 0.69 0.00 0.00 54.13 56.81 3h65 s LEU 73 Cb 0.00 -3.53 0.01 0.00 -0.43 0.00 0.00 46.19 42.24 3h65 s LEU 73 CO 0.00 -1.03 0.04 -0.69 -0.29 0.00 0.00 176.35 174.37 3h65 s VAL 74 N 4.44 3.65 -0.32 1.68 1.01 0.10 -4.94 120.40 126.02 3h65 s VAL 74 Ca 0.73 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 3h65 s VAL 74 Cb -0.31 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 3h65 s VAL 74 CO 0.29 0.12 0.21 -0.69 0.00 0.00 0.00 175.10 175.03 3h65 s VAL 75 N 1.45 5.11 -0.52 2.92 1.01 -1.26 -0.58 120.40 128.54 3h65 s VAL 75 Ca 0.02 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 61.57 3h65 s VAL 75 Cb -0.17 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.67 3h65 s VAL 75 CO 0.00 0.06 0.90 -0.63 0.00 0.00 0.00 175.10 175.44 3h65 s ILE 76 N 1.70 4.47 -0.78 2.22 1.01 0.40 -4.94 121.20 125.28 3h65 s ILE 76 Ca 0.06 0.36 0.17 0.00 0.00 0.00 0.00 60.65 61.24 3h65 s ILE 76 Cb -0.17 -4.47 0.68 0.00 0.01 0.00 0.00 42.46 38.50 3h65 s ILE 76 CO 0.09 -0.98 1.59 -0.90 0.00 0.00 0.00 174.94 174.74 3h65 n ASP 77 N 7.23 4.67 -0.11 3.58 5.68 -1.26 -4.40 116.55 131.93 3h65 n ASP 77 Ca 0.02 -2.60 0.15 0.00 -0.50 0.00 0.00 54.79 51.86 3h65 n ASP 77 Cb 0.48 -0.56 0.76 0.00 -1.14 0.00 0.00 41.12 40.65 3h65 n ASP 77 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3h65 n GLU 78 N 0.70 0.95 -3.89 0.11 0.28 -1.26 -4.77 120.64 112.76 3h65 n GLU 78 Ca 0.24 -0.23 -0.35 0.00 -0.16 0.00 0.00 57.16 56.66 3h65 n GLU 78 Cb 0.92 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 32.19 3h65 n GLU 78 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3h65 s PHE 79 N -2.21 3.22 -0.16 -1.84 0.40 -1.26 -5.06 117.98 111.07 3h65 s PHE 79 Ca 0.38 -0.01 -0.29 0.00 -0.60 0.00 0.00 56.93 56.41 3h65 s PHE 79 Cb 0.21 -2.15 -0.02 0.00 0.51 0.00 0.00 43.02 41.56 3h65 s PHE 79 CO 0.41 0.02 1.42 0.34 0.70 0.00 0.00 175.22 178.10 3h65 s ASP 80 N 0.80 6.76 0.44 1.36 3.68 -1.26 -4.92 116.67 123.52 3h65 s ASP 80 Ca 0.04 1.76 0.15 0.00 2.13 0.00 0.00 52.55 56.64 3h65 s ASP 80 Cb -0.13 -2.54 1.06 0.00 -1.45 0.00 0.00 42.92 39.86 3h65 s ASP 80 CO 0.02 -0.92 1.95 1.55 0.13 0.00 0.00 175.17 177.90 3h65 h PRO 81 N 9.06 0.38 -0.25 4.34 0.13 -1.97 -2.00 132.00 141.69 3h65 h PRO 81 Ca -0.31 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 64.65 3h65 h PRO 81 Cb 1.13 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 3h65 h PRO 81 CO 0.98 0.25 -0.46 0.87 -0.23 0.00 0.00 178.00 179.41 3h65 h LYS 82 N 0.39 0.65 -0.14 0.86 1.57 -1.91 -1.24 116.57 116.75 3h65 h LYS 82 Ca 0.33 -0.36 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 3h65 h LYS 82 Cb 0.73 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 3h65 h LYS 82 CO -0.09 0.97 -0.46 0.93 -0.57 0.00 0.00 179.45 180.23 3h65 h GLU 83 N 0.52 0.35 -0.27 3.15 5.08 -1.86 -0.08 114.58 121.47 3h65 h GLU 83 Ca 0.03 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 3h65 h GLU 83 Cb 1.00 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 3h65 h GLU 83 CO 0.09 0.74 -0.00 0.28 -1.00 0.00 0.00 179.01 179.12 3h65 h VAL 84 N 0.28 1.26 -0.40 3.13 2.07 -1.25 -2.20 116.25 119.14 3h65 h VAL 84 Ca 0.02 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 3h65 h VAL 84 Cb 0.92 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 3h65 h VAL 84 CO 0.08 0.29 0.25 0.24 0.02 0.00 0.00 177.57 178.45 3h65 h MET 85 N 0.25 0.54 -0.84 1.57 2.86 -1.08 -1.33 114.93 116.90 3h65 h MET 85 Ca 0.08 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3h65 h MET 85 Cb 0.43 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 3h65 h MET 85 CO 0.01 0.40 0.42 1.05 1.06 0.00 0.00 176.91 179.85 3h65 h GLU 86 N 0.53 1.20 -0.53 1.72 4.11 -0.98 -0.17 114.58 120.46 3h65 h GLU 86 Ca 0.14 -0.17 -0.05 0.00 0.07 0.00 0.00 59.36 59.35 3h65 h GLU 86 Cb -0.01 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 3h65 h GLU 86 CO -0.03 0.91 0.12 0.00 0.07 0.00 0.00 179.01 180.08 3h65 h ALA 87 N 1.22 0.70 0.04 1.06 0.00 -1.12 -2.67 119.26 118.50 3h65 h ALA 87 Ca 0.29 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h65 h ALA 87 Cb 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3h65 h ALA 87 CO -0.04 0.41 -0.02 0.45 0.00 0.00 0.00 179.25 180.05 3h65 h HIS 88 N 0.75 -0.06 0.00 0.00 3.86 -1.00 -0.19 115.15 118.52 3h65 h HIS 88 Ca 0.17 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3h65 h HIS 88 Cb 0.36 0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.84 3h65 h HIS 88 CO 0.02 0.54 0.00 1.28 0.86 0.00 0.00 177.93 180.63 3h65 n LEU 89 N -4.81 0.00 -0.75 2.43 4.77 -0.10 -1.29 117.00 117.25 3h65 n LEU 89 Ca -0.09 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.51 3h65 n LEU 89 Cb 0.31 -0.49 0.31 0.00 -2.33 0.00 0.00 43.42 41.22 3h65 n LEU 89 CO 0.31 -0.13 0.75 -1.54 -1.33 0.00 0.00 177.39 175.46 3h65 n SER 90 N -1.49 2.31 -0.01 -1.43 3.41 -1.01 -4.97 113.62 110.43 3h65 n SER 90 Ca 0.05 -1.77 -0.00 0.00 -0.26 0.00 0.00 58.87 56.89 3h65 n SER 90 Cb 0.25 -0.04 -0.00 0.00 -0.26 0.00 0.00 64.21 64.16 3h65 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h65 n GLY 91 N 1.27 0.41 2.69 5.00 0.00 -0.41 -4.99 105.19 109.16 3h65 n GLY 91 Ca 0.17 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 3h65 n GLY 91 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3h65 n ASN 92 N 1.76 3.92 -0.22 1.61 5.15 -0.11 -4.89 115.26 122.47 3h65 n ASN 92 Ca -0.00 -3.55 0.18 0.00 -0.60 0.00 0.00 54.58 50.60 3h65 n ASN 92 Cb 0.01 -0.53 0.50 0.00 -0.53 0.00 0.00 39.78 39.22 3h65 n ASN 92 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3h65 h PRO 93 N 2.86 0.42 0.00 1.20 0.13 -1.72 -1.95 132.00 132.94 3h65 h PRO 93 Ca 0.16 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3h65 h PRO 93 Cb 0.73 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.76 3h65 h PRO 93 CO 0.77 0.28 0.00 0.39 -0.23 0.00 0.00 178.00 179.21 3h65 n GLU 94 N -4.51 0.76 0.03 0.86 -0.58 -1.26 -1.85 120.64 114.09 3h65 n GLU 94 Ca 0.18 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 57.05 3h65 n GLU 94 Cb 0.64 -1.36 0.44 0.00 -0.57 0.00 0.00 31.44 30.59 3h65 n GLU 94 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3h65 n SER 95 N -0.86 0.38 0.00 1.62 3.41 -0.73 -4.36 113.62 113.07 3h65 n SER 95 Ca 0.13 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 3h65 n SER 95 Cb 0.06 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 3h65 n SER 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h65 n ILE 96 N -1.76 0.00 -0.19 -1.33 3.06 -0.93 -4.88 119.36 113.32 3h65 n ILE 96 Ca 0.06 0.00 -0.09 0.00 -2.50 0.00 0.00 62.75 60.22 3h65 n ILE 96 Cb 0.37 0.10 0.02 0.00 0.54 0.00 0.00 39.64 40.67 3h65 n ILE 96 CO 0.00 0.00 0.00 0.24 -2.50 0.00 0.00 176.55 174.29 3h65 h MET 97 N 0.00 0.91 -0.99 9.51 2.86 -1.57 -2.63 114.93 123.02 3h65 h MET 97 Ca 0.00 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.41 3h65 h MET 97 Cb 0.13 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.63 3h65 h MET 97 CO 0.00 0.88 0.66 -1.35 1.06 0.00 0.00 176.91 178.16 3h65 h PRO 98 N 0.80 1.28 -0.47 -0.22 0.11 -1.85 0.36 132.00 132.01 3h65 h PRO 98 Ca 0.17 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 3h65 h PRO 98 Cb 0.41 -0.29 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 3h65 h PRO 98 CO 0.01 0.85 0.12 -0.22 -0.21 0.00 0.00 178.00 178.55 3h65 h LYS 99 N 1.32 0.75 -0.14 1.05 3.64 -1.88 -0.09 116.57 121.22 3h65 h LYS 99 Ca 0.37 -0.18 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 3h65 h LYS 99 Cb -0.11 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.57 3h65 h LYS 99 CO -0.09 0.73 -0.13 0.82 -2.27 0.00 0.00 179.45 178.50 3h65 h ILE 100 N 0.63 0.63 -0.30 2.00 2.04 -1.09 -1.59 117.51 119.83 3h65 h ILE 100 Ca 0.15 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.06 3h65 h ILE 100 Cb 0.31 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3h65 h ILE 100 CO 0.00 0.00 0.02 0.03 0.00 0.00 0.00 178.15 178.20 3h65 h ARG 101 N -0.16 0.11 -0.14 2.37 3.08 -0.67 0.06 114.38 119.03 3h65 h ARG 101 Ca 0.09 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 3h65 h ARG 101 Cb 0.30 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3h65 h ARG 101 CO -0.24 0.07 -0.41 0.93 -1.07 0.00 0.00 179.97 179.25 3h65 h GLU 102 N 0.11 0.31 0.02 0.04 4.39 -0.85 -0.31 114.58 118.29 3h65 h GLU 102 Ca 0.14 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 3h65 h GLU 102 Cb 0.18 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3h65 h GLU 102 CO -0.22 0.68 -0.01 0.28 -1.16 0.00 0.00 179.01 178.58 3h65 h VAL 103 N 0.26 1.29 -0.50 3.13 2.07 -1.02 -1.48 116.25 120.00 3h65 h VAL 103 Ca 0.02 -0.95 0.08 0.00 0.82 0.00 0.00 66.70 66.68 3h65 h VAL 103 Cb 0.84 1.92 -0.07 0.00 -1.52 0.00 0.00 31.29 32.47 3h65 h VAL 103 CO 0.07 0.24 0.13 0.58 0.02 0.00 0.00 177.57 178.61 3h65 h VAL 104 N -0.43 0.76 -0.78 2.57 2.07 -0.90 -1.89 116.25 117.65 3h65 h VAL 104 Ca -0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3h65 h VAL 104 Cb 0.42 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3h65 h VAL 104 CO 0.00 0.05 0.49 0.11 0.02 0.00 0.00 177.57 178.25 3h65 h LYS 105 N 0.27 1.05 -0.27 1.57 1.57 -1.02 0.16 116.57 119.90 3h65 h LYS 105 Ca 0.25 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3h65 h LYS 105 Cb 0.31 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3h65 h LYS 105 CO -0.30 0.72 0.12 0.00 -0.57 0.00 0.00 179.45 179.42 3h65 h ALA 106 N 1.27 0.35 -0.28 3.86 0.00 -1.07 -2.62 119.26 120.76 3h65 h ALA 106 Ca 0.28 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3h65 h ALA 106 Cb -0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3h65 h ALA 106 CO -0.06 -0.07 0.10 -0.22 0.00 0.00 0.00 179.25 179.01 3h65 h LYS 107 N 0.30 0.22 -0.11 0.00 1.63 -0.92 -2.96 116.57 114.73 3h65 h LYS 107 Ca 0.09 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.91 3h65 h LYS 107 Cb 0.15 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 3h65 h LYS 107 CO -0.01 0.15 0.08 0.00 -3.45 0.00 0.00 179.45 176.22 3h65 h ALA 108 N 1.17 2.10 -0.41 5.00 0.00 -0.48 -1.83 119.26 124.81 3h65 h ALA 108 Ca 0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3h65 h ALA 108 Cb 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3h65 h ALA 108 CO -0.12 -0.14 0.22 0.87 0.00 0.00 0.00 179.25 180.08 3h65 h LYS 109 N 0.00 0.56 -0.37 0.00 1.57 -1.29 -2.69 116.57 114.35 3h65 h LYS 109 Ca 0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3h65 h LYS 109 Cb 0.22 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3h65 h LYS 109 CO -0.00 0.42 0.00 -0.85 -0.57 0.00 0.00 179.45 178.45 3h65 n GLU 110 N -4.42 2.28 -4.85 3.15 0.28 -0.69 -4.94 120.64 111.45 3h65 n GLU 110 Ca 0.03 -1.94 -0.30 0.00 -0.16 0.00 0.00 57.16 54.79 3h65 n GLU 110 Cb 0.10 -1.47 -0.14 0.00 1.43 0.00 0.00 31.44 31.36 3h65 n GLU 110 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3h65 s LEU 111 N -1.42 2.25 0.82 -1.84 1.43 -1.02 -5.14 118.68 113.77 3h65 s LEU 111 Ca 0.37 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 3h65 s LEU 111 Cb 0.21 -1.32 0.08 0.00 0.03 0.00 0.00 46.19 45.19 3h65 s LEU 111 CO 0.29 0.26 1.09 -2.16 0.23 0.00 0.00 176.35 176.06 3h65 s PRO 112 N -1.30 1.89 0.69 1.29 0.04 -1.26 -4.93 135.00 131.42 3h65 s PRO 112 Ca 0.12 0.71 -0.11 0.00 0.04 0.00 0.00 61.00 61.77 3h65 s PRO 112 Cb -0.10 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3h65 s PRO 112 CO 0.03 -1.77 1.07 0.15 0.04 0.00 0.00 177.00 176.51 3h65 s LYS 113 N -5.09 3.00 0.46 4.56 1.02 -1.26 -3.65 119.74 118.78 3h65 s LYS 113 Ca 0.61 0.70 -0.24 0.00 0.02 0.00 0.00 55.97 57.06 3h65 s LYS 113 Cb -0.15 -2.02 -0.09 0.00 -0.52 0.00 0.00 37.83 35.05 3h65 s LYS 113 CO 0.55 -0.99 1.17 -2.30 -0.92 0.00 0.00 175.35 172.86 3h65 n PRO 114 N -3.02 1.61 0.00 -1.68 -0.02 -0.95 -1.57 135.00 129.37 3h65 n PRO 114 Ca 0.07 0.58 0.15 0.00 -2.02 0.00 0.00 63.50 62.28 3h65 n PRO 114 Cb 0.55 -2.29 0.69 0.00 -0.02 0.00 0.00 33.50 32.43 3h65 n PRO 114 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3h65 n PRO 115 N -0.19 1.22 -0.19 0.52 -0.04 -1.26 -4.90 135.00 130.16 3h65 n PRO 115 Ca 0.09 -0.47 -0.04 0.00 -0.04 0.00 0.00 63.50 63.04 3h65 n PRO 115 Cb 0.41 -1.49 0.14 0.00 -0.04 0.00 0.00 33.50 32.52 3h65 n PRO 115 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3h65 h LYS 116 N 1.14 0.97 -3.55 0.54 1.57 -1.59 -3.25 116.57 112.39 3h65 h LYS 116 Ca 0.00 -0.19 -0.25 0.00 -1.87 0.00 0.00 60.65 58.33 3h65 h LYS 116 Cb 0.29 -0.15 -0.31 0.00 0.08 0.00 0.00 32.23 32.15 3h65 h LYS 116 CO 0.00 0.84 -0.69 0.00 -0.57 0.00 0.00 179.45 179.03 3h65 s ALA 117 N -5.32 -0.04 -0.14 3.86 0.00 -1.19 -0.25 121.76 118.67 3h65 s ALA 117 Ca -0.11 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.10 3h65 s ALA 117 Cb 0.15 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.12 3h65 s ALA 117 CO 0.82 -0.07 -0.13 0.00 0.00 0.00 0.00 175.76 176.37 3h65 s ILE 119 N 1.49 4.90 0.16 0.00 1.01 -1.26 -0.72 121.20 126.77 3h65 s ILE 119 Ca 0.04 1.54 0.05 0.00 0.00 0.00 0.00 60.65 62.29 3h65 s ILE 119 Cb -0.13 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 3h65 s ILE 119 CO -0.10 0.02 -0.11 -1.00 0.00 0.00 0.00 174.94 173.76 3h65 s HIS 120 N 2.23 1.35 -0.74 3.97 3.76 0.26 -1.41 115.29 124.71 3h65 s HIS 120 Ca 0.36 -0.72 0.20 0.00 -0.15 0.00 0.00 55.06 54.74 3h65 s HIS 120 Cb -0.16 -0.67 -0.24 0.00 1.11 0.00 0.00 32.58 32.62 3h65 s HIS 120 CO 0.11 0.14 0.76 1.28 -0.85 0.00 0.00 174.74 176.17 3h65 n LEU 121 N -0.23 0.74 -3.75 0.89 4.77 -1.26 -0.45 117.00 117.70 3h65 n LEU 121 Ca -0.10 -0.39 -0.13 0.00 -0.03 0.00 0.00 56.01 55.36 3h65 n LEU 121 Cb 0.61 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 3h65 n LEU 121 CO 0.33 0.18 0.04 0.54 -1.33 0.00 0.00 177.39 177.15 3h65 s VAL 122 N -2.98 0.02 0.30 4.08 0.11 -1.26 -4.57 120.40 116.10 3h65 s VAL 122 Ca 0.04 -0.13 -0.29 0.00 -2.93 0.00 0.00 61.98 58.67 3h65 s VAL 122 Cb 0.15 -0.55 -0.10 0.00 -1.53 0.00 0.00 36.38 34.34 3h65 s VAL 122 CO 0.82 -0.07 1.38 -2.28 -3.33 0.00 0.00 175.10 171.62 3h65 s HIS 123 N -0.26 2.98 0.53 1.54 2.46 -1.26 -4.94 115.29 116.34 3h65 s HIS 123 Ca -0.04 1.23 0.29 0.00 0.47 0.00 0.00 55.06 57.01 3h65 s HIS 123 Cb -0.03 -3.77 1.43 0.00 -0.13 0.00 0.00 32.58 30.07 3h65 s HIS 123 CO 0.02 -2.31 1.93 -1.35 -2.47 0.00 0.00 174.74 170.56 3h65 h PRO 124 N 4.00 0.02 0.00 2.88 0.11 -1.99 -2.14 132.00 134.88 3h65 h PRO 124 Ca -0.48 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 3h65 h PRO 124 Cb 1.22 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3h65 h PRO 124 CO 0.70 0.02 -0.32 0.93 -0.21 0.00 0.00 178.00 179.12 3h65 h GLU 125 N 0.02 0.00 0.00 1.05 5.08 -1.93 -2.23 114.58 116.57 3h65 h GLU 125 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3h65 h GLU 125 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 3h65 h GLU 125 CO -0.01 0.32 0.00 -0.25 -1.00 0.00 0.00 179.01 178.07 3h65 n ASP 126 N -3.81 0.00 -0.94 1.42 8.00 -0.81 -1.96 116.55 118.46 3h65 n ASP 126 Ca -0.01 -0.15 0.08 0.00 0.71 0.00 0.00 54.79 55.42 3h65 n ASP 126 Cb 0.40 -0.27 0.26 0.00 -0.02 0.00 0.00 41.12 41.50 3h65 n ASP 126 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3h65 n VAL 127 N -1.27 2.26 -0.70 2.53 0.24 -1.00 -4.90 118.33 115.49 3h65 n VAL 127 Ca 0.14 -1.82 0.00 0.00 -2.04 0.00 0.00 64.34 60.62 3h65 n VAL 127 Cb 0.22 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 3h65 n VAL 127 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h65 n GLY 128 N -0.40 0.74 3.81 7.63 0.00 -0.83 -4.84 105.19 111.31 3h65 n GLY 128 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 3h65 n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h65 s LEU 129 N 0.00 4.18 0.50 0.99 1.43 -0.87 -4.83 118.68 120.06 3h65 s LEU 129 Ca 0.00 1.59 -0.18 0.00 -1.03 0.00 0.00 54.13 54.52 3h65 s LEU 129 Cb 0.00 -4.08 -0.09 0.00 0.03 0.00 0.00 46.19 42.06 3h65 s LEU 129 CO 0.00 -0.15 0.98 -0.54 0.23 0.00 0.00 176.35 176.86 3h65 s LYS 130 N -2.53 4.01 0.12 1.70 1.02 0.47 -3.95 119.74 120.58 3h65 s LYS 130 Ca 0.53 1.00 0.07 0.00 0.02 0.00 0.00 55.97 57.58 3h65 s LYS 130 Cb -0.14 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 3h65 s LYS 130 CO 0.19 -0.22 -0.16 0.14 -0.92 0.00 0.00 175.35 174.38 3h65 s VAL 131 N -2.52 1.48 0.22 3.17 -7.23 -1.26 -0.52 120.40 113.74 3h65 s VAL 131 Ca 0.60 -1.67 -0.21 0.00 -1.81 0.00 0.00 61.98 58.88 3h65 s VAL 131 Cb -0.10 -1.54 0.04 0.00 0.56 0.00 0.00 36.38 35.34 3h65 s VAL 131 CO 0.27 -0.30 0.63 0.28 -0.31 0.00 0.00 175.10 175.67 3h65 s THR 132 N -1.82 0.00 -2.03 5.32 -1.32 -0.62 -4.91 115.64 110.27 3h65 s THR 132 Ca 0.08 -0.57 0.19 0.00 -1.21 0.00 0.00 61.69 60.19 3h65 s THR 132 Cb -0.07 -1.53 0.06 0.00 -1.51 0.00 0.00 72.50 69.46 3h65 s THR 132 CO 0.04 -0.02 1.02 -1.54 -2.21 0.00 0.00 174.62 171.91 3h65 n SER 133 N -0.41 2.16 -4.27 8.08 3.41 -1.26 -1.62 113.62 119.71 3h65 n SER 133 Ca -0.10 -1.58 -0.43 0.00 -0.26 0.00 0.00 58.87 56.50 3h65 n SER 133 Cb 0.62 0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 64.77 3h65 n SER 133 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h65 s ASP 134 N -1.93 5.89 0.42 4.04 -1.08 -1.26 -4.49 116.67 118.26 3h65 s ASP 134 Ca 0.19 -1.73 0.11 0.00 -0.52 0.00 0.00 52.55 50.60 3h65 s ASP 134 Cb 0.16 -2.09 0.96 0.00 -1.46 0.00 0.00 42.92 40.49 3h65 s ASP 134 CO 0.38 -0.71 2.01 0.44 0.52 0.00 0.00 175.17 177.81 3h65 h ASP 135 N 8.61 0.41 -0.19 -0.34 3.32 -1.94 -2.35 116.42 123.94 3h65 h ASP 135 Ca -0.25 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.60 3h65 h ASP 135 Cb 1.09 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3h65 h ASP 135 CO 0.90 0.27 -0.65 0.03 -1.72 0.00 0.00 179.24 178.07 3h65 h ARG 136 N 0.46 0.81 -0.72 3.56 3.08 -1.89 -1.89 114.38 117.79 3h65 h ARG 136 Ca 0.23 -0.57 0.06 0.00 0.07 0.00 0.00 59.98 59.76 3h65 h ARG 136 Cb 0.31 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.40 3h65 h ARG 136 CO -0.06 1.20 0.42 1.49 -1.07 0.00 0.00 179.97 181.94 3h65 h GLU 137 N 0.59 0.74 -0.11 0.04 4.81 -1.91 -2.80 114.58 115.95 3h65 h GLU 137 Ca -0.01 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3h65 h GLU 137 Cb 1.26 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 3h65 h GLU 137 CO 0.14 0.49 0.04 0.00 -0.73 0.00 0.00 179.01 178.94 3h65 h ALA 138 N 1.36 0.15 0.00 2.92 0.00 -1.14 -3.21 119.26 119.34 3h65 h ALA 138 Ca 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3h65 h ALA 138 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3h65 h ALA 138 CO -0.18 -0.24 0.00 1.33 0.00 0.00 0.00 179.25 180.16 3h65 n VAL 139 N -4.88 0.66 -1.86 0.00 0.24 -0.73 -4.53 118.33 107.23 3h65 n VAL 139 Ca -0.06 -0.13 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 3h65 n VAL 139 Cb 0.14 -0.76 -0.03 0.00 -1.47 0.00 0.00 33.84 31.72 3h65 n VAL 139 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3h65 s GLU 140 N -3.17 4.17 -0.26 7.34 -6.30 -1.06 -2.37 118.70 117.06 3h65 s GLU 140 Ca 0.09 2.39 0.00 0.00 -2.50 0.00 0.00 54.97 54.95 3h65 s GLU 140 Cb 0.11 -3.90 0.00 0.00 0.00 0.00 0.00 34.13 30.34 3h65 s GLU 140 CO 0.53 -0.85 0.00 0.41 0.02 0.00 0.00 175.26 175.37 3h65 n GLY 141 N 4.23 0.41 3.72 -1.50 0.00 -1.26 -4.97 105.19 105.82 3h65 n GLY 141 Ca 0.18 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3h65 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h65 s ALA 142 N -1.58 3.24 0.02 4.61 0.00 -1.00 -4.55 121.76 122.49 3h65 s ALA 142 Ca 0.00 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 3h65 s ALA 142 Cb 0.00 -3.22 -0.28 0.00 0.00 0.00 0.00 23.12 19.62 3h65 s ALA 142 CO 0.00 -0.11 0.91 -0.44 0.00 0.00 0.00 175.76 176.12 3h65 h ASP 143 N 6.29 0.39 -3.87 0.00 5.19 -0.66 -3.41 116.42 120.36 3h65 h ASP 143 Ca -0.42 -0.52 -0.55 0.00 -0.62 0.00 0.00 57.03 54.92 3h65 h ASP 143 Cb 1.21 -0.13 -0.31 0.00 0.18 0.00 0.00 39.33 40.28 3h65 h ASP 143 CO 0.74 1.42 -0.83 -0.63 -3.12 0.00 0.00 179.24 176.82 3h65 s ILE 144 N -2.62 1.37 -0.30 0.35 1.01 -1.20 -2.20 121.20 117.60 3h65 s ILE 144 Ca -0.08 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 59.89 3h65 s ILE 144 Cb 0.07 -1.18 0.06 0.00 0.01 0.00 0.00 42.46 41.42 3h65 s ILE 144 CO 0.86 0.40 -0.02 -0.69 0.00 0.00 0.00 174.94 175.48 3h65 s VAL 145 N 0.07 2.61 -0.33 2.92 1.01 1.00 -1.59 120.40 126.09 3h65 s VAL 145 Ca -0.04 -1.64 -0.16 0.00 0.00 0.00 0.00 61.98 60.15 3h65 s VAL 145 Cb -0.11 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3h65 s VAL 145 CO 0.02 -0.17 0.40 -0.63 0.00 0.00 0.00 175.10 174.72 3h65 s ILE 146 N 1.15 5.13 -0.01 2.22 1.01 0.76 -0.62 121.20 130.84 3h65 s ILE 146 Ca -0.04 0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 3h65 s ILE 146 Cb -0.20 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 3h65 s ILE 146 CO -0.04 -0.07 0.14 0.42 0.00 0.00 0.00 174.94 175.39 3h65 s THR 147 N 2.11 5.13 -0.40 2.92 -4.23 -0.73 -0.49 115.64 119.95 3h65 s THR 147 Ca 0.14 -0.25 0.08 0.00 -1.18 0.00 0.00 61.69 60.48 3h65 s THR 147 Cb -0.16 -3.37 0.25 0.00 1.34 0.00 0.00 72.50 70.57 3h65 s THR 147 CO 0.12 0.35 0.59 1.87 -0.54 0.00 0.00 174.62 177.01 3h65 n TRP 148 N 1.11 -0.78 -4.17 3.99 -0.00 0.16 -3.52 117.44 114.22 3h65 n TRP 148 Ca -0.12 -3.31 -0.24 0.00 -0.00 0.00 0.00 57.50 53.82 3h65 n TRP 148 Cb 0.53 -0.07 -0.06 0.00 -0.00 0.00 0.00 31.31 31.71 3h65 n TRP 148 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3h65 s LEU 149 N -1.20 3.53 0.57 5.87 1.43 -1.26 -4.31 118.68 123.31 3h65 s LEU 149 Ca 0.35 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.89 3h65 s LEU 149 Cb 0.19 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3h65 s LEU 149 CO -0.13 0.03 1.30 -2.16 0.23 0.00 0.00 176.35 175.63 3h65 s PRO 150 N -3.37 3.03 0.64 1.29 0.04 -1.26 -4.72 135.00 130.65 3h65 s PRO 150 Ca 0.30 2.09 -0.13 0.00 0.04 0.00 0.00 61.00 63.31 3h65 s PRO 150 Cb -0.08 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 3h65 s PRO 150 CO 0.22 -1.23 1.05 -1.59 0.04 0.00 0.00 177.00 175.48 3h65 s LYS 151 N -3.07 3.19 0.00 4.56 0.00 -1.26 -4.64 119.74 118.52 3h65 s LYS 151 Ca 0.74 1.03 0.00 0.00 0.00 0.00 0.00 55.97 57.74 3h65 s LYS 151 Cb -0.37 -2.02 0.00 0.00 0.00 0.00 0.00 37.83 35.44 3h65 s LYS 151 CO 0.42 -0.90 0.00 0.41 0.00 0.00 0.00 175.35 175.28 3h65 n GLY 152 N -1.66 0.68 1.42 0.59 0.00 -1.26 -4.77 105.19 100.19 3h65 n GLY 152 Ca 0.08 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.95 3h65 n GLY 152 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3h65 n ASN 153 N 0.12 4.06 0.16 1.61 0.23 -1.26 -4.50 115.26 115.66 3h65 n ASN 153 Ca 0.00 -3.25 0.04 0.00 -0.53 0.00 0.00 54.58 50.84 3h65 n ASN 153 Cb 0.00 -0.65 0.13 0.00 -2.08 0.00 0.00 39.78 37.18 3h65 n ASN 153 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3h65 h LYS 154 N 2.06 0.00 -0.33 -3.83 1.79 -1.86 -3.40 116.57 111.00 3h65 h LYS 154 Ca 0.15 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.55 3h65 h LYS 154 Cb 1.87 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.51 3h65 h LYS 154 CO 0.47 0.47 -0.08 1.96 -1.08 0.00 0.00 179.45 181.19 3h65 h GLN 155 N 0.00 0.63 -0.66 3.15 4.20 -1.82 -2.14 115.11 118.46 3h65 h GLN 155 Ca -0.00 -0.24 0.13 0.00 0.06 0.00 0.00 58.65 58.60 3h65 h GLN 155 Cb 1.23 -0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.88 3h65 h GLN 155 CO 0.06 0.80 0.15 -1.35 -0.67 0.00 0.00 178.83 177.83 3h65 h PRO 156 N 0.41 0.27 0.00 1.46 0.11 -1.94 -0.08 132.00 132.22 3h65 h PRO 156 Ca 0.08 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.08 3h65 h PRO 156 Cb 0.57 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 3h65 h PRO 156 CO 0.03 0.18 -0.47 -0.44 -0.21 0.00 0.00 178.00 177.09 3h65 h ASP 157 N 0.27 0.00 -0.00 -2.05 3.32 -1.78 -0.86 116.42 115.32 3h65 h ASP 157 Ca 0.35 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.40 3h65 h ASP 157 Cb 0.55 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 3h65 h ASP 157 CO -0.44 0.47 -0.00 0.40 -1.72 0.00 0.00 179.24 177.95 3h65 h ILE 158 N 0.00 1.35 -0.45 0.35 2.04 -0.70 -3.33 117.51 116.76 3h65 h ILE 158 Ca -0.00 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 64.78 3h65 h ILE 158 Cb 0.84 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 3h65 h ILE 158 CO 0.06 0.27 0.16 0.40 0.00 0.00 0.00 178.15 179.04 3h65 h ILE 159 N -0.43 1.22 -0.33 -0.67 2.04 -0.99 -2.87 117.51 115.47 3h65 h ILE 159 Ca 0.00 -0.70 0.09 0.00 1.00 0.00 0.00 64.86 65.25 3h65 h ILE 159 Cb 0.44 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3h65 h ILE 159 CO 0.00 0.25 0.34 0.07 0.00 0.00 0.00 178.15 178.82 3h65 h LYS 160 N 0.59 0.00 0.00 2.37 2.10 -1.27 -0.90 116.57 119.46 3h65 h LYS 160 Ca 0.15 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.78 3h65 h LYS 160 Cb 0.24 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.57 3h65 h LYS 160 CO -0.01 0.00 -0.09 0.87 -2.00 0.00 0.00 179.45 178.22 3h65 h LYS 161 N 0.00 0.00 0.00 0.07 1.57 -1.62 -3.34 116.57 113.25 3h65 h LYS 161 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3h65 h LYS 161 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3h65 h LYS 161 CO -0.00 0.09 0.00 1.97 -0.57 0.00 0.00 179.45 180.94 3h65 n PHE 162 N -3.18 0.00 0.20 -1.35 1.16 -0.67 -4.86 117.46 108.76 3h65 n PHE 162 Ca 0.01 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.63 3h65 n PHE 162 Cb 0.42 0.00 0.43 0.00 -1.61 0.00 0.00 39.48 38.72 3h65 n PHE 162 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3h65 h ALA 163 N 0.00 1.54 0.00 1.98 0.00 -1.33 -1.86 119.26 119.58 3h65 h ALA 163 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3h65 h ALA 163 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3h65 h ALA 163 CO 0.00 0.35 0.00 0.38 0.00 0.00 0.00 179.25 179.98 3h65 h ASP 164 N 0.00 0.00 0.36 0.00 -0.00 -1.86 -3.19 116.42 111.73 3h65 h ASP 164 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3h65 h ASP 164 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.82 3h65 h ASP 164 CO 0.04 0.00 -1.00 0.00 -0.00 0.00 0.00 179.24 178.28 3h65 n ALA 165 N -1.85 3.59 -2.10 4.15 0.00 -0.70 -4.93 120.51 118.67 3h65 n ALA 165 Ca 0.01 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 3h65 n ALA 165 Cb 0.23 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 3h65 n ALA 165 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3h65 s ILE 166 N -3.16 3.41 0.50 0.00 1.01 -1.21 -4.25 121.20 117.49 3h65 s ILE 166 Ca 0.05 1.11 -0.22 0.00 0.00 0.00 0.00 60.65 61.59 3h65 s ILE 166 Cb 0.15 -3.71 -0.08 0.00 0.01 0.00 0.00 42.46 38.83 3h65 s ILE 166 CO 0.80 0.14 1.06 -2.65 0.00 0.00 0.00 174.94 174.30 3h65 n PRO 167 N 3.03 1.32 -1.66 2.79 -0.02 -1.26 -4.87 135.00 134.33 3h65 n PRO 167 Ca 0.07 0.48 -0.49 0.00 -2.02 0.00 0.00 63.50 61.55 3h65 n PRO 167 Cb 0.43 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 3h65 n PRO 167 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3h65 n GLU 168 N -0.36 1.88 -1.00 -0.52 2.13 -1.26 -2.42 120.64 119.08 3h65 n GLU 168 Ca 0.10 0.68 -0.00 0.00 0.66 0.00 0.00 57.16 58.60 3h65 n GLU 168 Cb 0.43 -2.43 -0.00 0.00 0.27 0.00 0.00 31.44 29.70 3h65 n GLU 168 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h65 n GLY 169 N 3.50 0.37 3.76 8.31 0.00 -1.25 -5.02 105.19 114.86 3h65 n GLY 169 Ca 0.19 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3h65 n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h65 s ALA 170 N -1.73 2.31 -0.05 4.61 0.00 -1.02 -4.33 121.76 121.56 3h65 s ALA 170 Ca 0.00 0.43 -0.28 0.00 0.00 0.00 0.00 51.96 52.10 3h65 s ALA 170 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3h65 s ALA 170 CO 0.00 -1.60 0.92 0.42 0.00 0.00 0.00 175.76 175.51 3h65 s ILE 171 N -2.61 4.88 -0.10 0.00 1.01 -0.94 -1.39 121.20 122.06 3h65 s ILE 171 Ca 0.64 1.91 0.01 0.00 0.00 0.00 0.00 60.65 63.22 3h65 s ILE 171 Cb -0.19 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.04 3h65 s ILE 171 CO 0.49 0.13 -0.10 -0.69 0.00 0.00 0.00 174.94 174.77 3h65 s VAL 172 N 1.28 1.15 0.16 2.92 1.01 -0.39 -0.00 120.40 126.54 3h65 s VAL 172 Ca 0.48 -0.41 0.11 0.00 0.00 0.00 0.00 61.98 62.16 3h65 s VAL 172 Cb -0.19 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3h65 s VAL 172 CO 0.23 0.38 -0.24 0.42 0.00 0.00 0.00 175.10 175.88 3h65 s THR 173 N 1.28 2.38 0.40 3.92 -4.23 0.21 -1.44 115.64 118.16 3h65 s THR 173 Ca -0.02 -1.88 0.07 0.00 -1.18 0.00 0.00 61.69 58.68 3h65 s THR 173 Cb -0.14 -2.11 -0.07 0.00 1.34 0.00 0.00 72.50 71.52 3h65 s THR 173 CO -0.04 -0.03 0.03 -1.38 -0.54 0.00 0.00 174.62 172.67 3h65 s HIS 174 N -1.41 2.53 0.00 3.99 -3.43 -0.94 -1.77 115.29 114.25 3h65 s HIS 174 Ca 0.18 -0.62 0.00 0.00 -0.80 0.00 0.00 55.06 53.82 3h65 s HIS 174 Cb -0.09 -1.76 0.00 0.00 -1.43 0.00 0.00 32.58 29.31 3h65 s HIS 174 CO 0.09 0.41 0.00 0.00 -2.00 0.00 0.00 174.74 173.24 3h65 n ALA 175 N -1.00 0.00 0.33 -1.38 0.00 -1.23 -0.30 120.51 116.93 3h65 n ALA 175 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.52 3h65 n ALA 175 Cb 0.66 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.66 3h65 n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h65 h ALA 176 N 0.45 1.00 0.00 0.00 0.00 -1.93 -3.28 119.26 115.50 3h65 h ALA 176 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h65 h ALA 176 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h65 h ALA 176 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 3h65 n THR 177 N -2.35 0.02 -3.75 0.00 -2.24 -1.26 -4.75 114.28 99.95 3h65 n THR 177 Ca 0.01 0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 3h65 n THR 177 Cb 0.19 -0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 67.79 3h65 n THR 177 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3h65 s ILE 178 N -2.54 -0.01 0.70 2.28 2.07 -1.24 -4.42 121.20 118.05 3h65 s ILE 178 Ca 0.29 0.03 -0.12 0.00 -1.41 0.00 0.00 60.65 59.44 3h65 s ILE 178 Cb 0.20 -0.48 0.02 0.00 0.13 0.00 0.00 42.46 42.33 3h65 s ILE 178 CO 0.45 0.01 1.08 -2.84 -1.91 0.00 0.00 174.94 171.72 3h65 s PRO 179 N 0.43 2.72 0.30 3.50 0.02 -1.26 -4.79 135.00 135.92 3h65 s PRO 179 Ca -0.02 1.14 0.01 0.00 0.02 0.00 0.00 61.00 62.15 3h65 s PRO 179 Cb -0.04 -1.96 0.47 0.00 0.02 0.00 0.00 34.50 33.00 3h65 s PRO 179 CO -0.02 -1.28 1.84 1.15 -0.33 0.00 0.00 177.00 178.36 3h65 h THR 180 N -0.58 1.21 -0.55 0.99 2.02 -1.94 -1.86 112.91 112.20 3h65 h THR 180 Ca -0.45 -0.81 -0.11 0.00 0.77 0.00 0.00 66.41 65.81 3h65 h THR 180 Cb 1.22 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 3h65 h THR 180 CO 0.54 0.29 -0.10 0.71 0.37 0.00 0.00 175.52 177.34 3h65 h THR 181 N 0.69 1.27 -0.03 3.16 1.35 -1.93 -1.13 112.91 116.28 3h65 h THR 181 Ca 0.15 -1.26 -0.00 0.00 -0.55 0.00 0.00 66.41 64.75 3h65 h THR 181 Cb 0.31 0.95 -0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3h65 h THR 181 CO 0.00 0.45 0.00 0.11 -0.25 0.00 0.00 175.52 175.83 3h65 h LYS 182 N 0.92 0.06 -0.46 4.72 1.57 -1.92 -2.47 116.57 118.98 3h65 h LYS 182 Ca 0.14 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 3h65 h LYS 182 Cb 0.67 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.92 3h65 h LYS 182 CO 0.05 0.31 0.18 0.35 -0.57 0.00 0.00 179.45 179.77 3h65 h PHE 183 N -0.20 0.33 -0.31 -1.35 3.57 -1.23 -1.90 116.94 115.84 3h65 h PHE 183 Ca 0.01 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 3h65 h PHE 183 Cb 0.28 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3h65 h PHE 183 CO 0.02 0.13 -0.10 0.00 -2.23 0.00 0.00 178.31 176.13 3h65 h ALA 184 N 1.29 1.25 -0.17 2.41 0.00 -1.22 -2.80 119.26 120.02 3h65 h ALA 184 Ca 0.22 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3h65 h ALA 184 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3h65 h ALA 184 CO -0.20 0.49 -0.29 -0.22 0.00 0.00 0.00 179.25 179.03 3h65 h LYS 185 N 0.49 0.32 -0.44 0.00 1.63 -0.88 -1.65 116.57 116.05 3h65 h LYS 185 Ca 0.09 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 3h65 h LYS 185 Cb 0.47 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 3h65 h LYS 185 CO 0.03 0.59 0.19 0.82 -3.45 0.00 0.00 179.45 177.62 3h65 h ILE 186 N 0.28 1.20 -0.12 2.00 2.04 -1.11 -1.88 117.51 119.92 3h65 h ILE 186 Ca 0.04 -0.60 -0.13 0.00 1.00 0.00 0.00 64.86 65.18 3h65 h ILE 186 Cb 0.66 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3h65 h ILE 186 CO 0.05 0.22 -0.48 -0.26 0.00 0.00 0.00 178.15 177.68 3h65 h PHE 187 N 0.57 0.39 -0.42 1.37 0.04 -1.47 -2.49 116.94 114.92 3h65 h PHE 187 Ca 0.15 -0.12 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3h65 h PHE 187 Cb 0.17 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 3h65 h PHE 187 CO -0.00 0.74 0.25 -0.22 -0.60 0.00 0.00 178.31 178.47 3h65 h LYS 188 N 0.26 0.58 0.00 1.51 3.64 -1.17 0.12 116.57 121.51 3h65 h LYS 188 Ca 0.01 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3h65 h LYS 188 Cb 0.94 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 3h65 h LYS 188 CO 0.08 0.45 -0.21 -0.44 -2.27 0.00 0.00 179.45 177.06 3h65 h ASP 189 N 0.55 0.00 -0.18 4.20 3.32 -1.29 -2.03 116.42 121.00 3h65 h ASP 189 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3h65 h ASP 189 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3h65 h ASP 189 CO -0.03 0.21 0.00 0.18 -1.72 0.00 0.00 179.24 177.88 3h65 n LEU 190 N -3.55 1.55 -0.35 1.55 4.77 -0.91 -4.91 117.00 115.14 3h65 n LEU 190 Ca -0.01 -0.67 -0.04 0.00 -0.03 0.00 0.00 56.01 55.27 3h65 n LEU 190 Cb 0.35 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3h65 n LEU 190 CO 0.33 0.33 -0.04 0.61 -1.33 0.00 0.00 177.39 177.29 3h65 n GLY 191 N 1.09 0.54 2.52 -0.72 0.00 -0.76 -4.96 105.19 102.90 3h65 n GLY 191 Ca 0.15 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 3h65 n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h65 n ARG 192 N -2.42 3.12 0.23 1.61 5.12 0.39 -4.74 116.66 119.96 3h65 n ARG 192 Ca -0.04 -3.94 0.16 0.00 -1.93 0.00 0.00 57.85 52.10 3h65 n ARG 192 Cb 0.25 -2.27 0.70 0.00 -1.16 0.00 0.00 32.46 29.99 3h65 n ARG 192 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3h65 h GLU 193 N 2.56 0.00 0.00 5.56 5.08 -1.84 -2.57 114.58 123.38 3h65 h GLU 193 Ca 0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.81 3h65 h GLU 193 Cb 0.71 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 3h65 h GLU 193 CO 1.14 0.00 -0.00 0.38 -1.00 0.00 0.00 179.01 179.53 3h65 h ASP 194 N 0.00 0.00 -3.80 1.42 2.03 -1.94 -3.45 116.42 110.67 3h65 h ASP 194 Ca 0.00 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.79 3h65 h ASP 194 Cb 0.33 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.85 3h65 h ASP 194 CO 0.00 0.00 0.48 -0.76 -1.03 0.00 0.00 179.24 177.93 3h65 s LEU 195 N -6.18 4.55 -0.74 0.15 1.43 -0.97 -3.85 118.68 113.07 3h65 s LEU 195 Ca -0.02 2.28 -0.24 0.00 -1.03 0.00 0.00 54.13 55.13 3h65 s LEU 195 Cb 0.11 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.77 3h65 s LEU 195 CO 0.48 -0.16 1.11 0.20 0.23 0.00 0.00 176.35 178.21 3h65 s ASN 196 N -0.84 6.24 -0.17 2.29 0.01 -0.49 -4.86 114.94 117.13 3h65 s ASN 196 Ca 0.45 -0.97 -0.18 0.00 -0.71 0.00 0.00 52.86 51.45 3h65 s ASN 196 Cb -0.32 -2.47 -0.04 0.00 0.41 0.00 0.00 41.25 38.83 3h65 s ASN 196 CO 0.41 -1.53 0.49 -0.63 -1.51 0.00 0.00 177.10 174.34 3h65 s ILE 197 N 4.51 5.14 0.00 0.60 -1.09 -0.61 -1.26 121.20 128.49 3h65 s ILE 197 Ca 0.29 0.93 0.00 0.00 -2.23 0.00 0.00 60.65 59.64 3h65 s ILE 197 Cb -0.12 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 3h65 s ILE 197 CO 0.08 0.23 0.00 1.07 -1.23 0.00 0.00 174.94 175.10 3h65 n THR 198 N 4.23 0.00 -4.39 2.92 5.66 -0.52 -3.10 114.28 119.07 3h65 n THR 198 Ca -0.06 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.70 3h65 n THR 198 Cb 0.51 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.18 3h65 n THR 198 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3h65 s SER 199 N 0.45 3.13 -0.42 1.09 1.04 -1.26 -2.21 113.70 115.51 3h65 s SER 199 Ca 0.00 -0.90 0.07 0.00 0.48 0.00 0.00 55.95 55.60 3h65 s SER 199 Cb 0.00 -0.22 0.23 0.00 0.10 0.00 0.00 66.02 66.13 3h65 s SER 199 CO 0.00 0.03 0.50 0.00 0.98 0.00 0.00 173.24 174.75 3h65 n TYR 200 N 0.08 -0.11 -3.72 5.02 9.36 0.59 -4.13 117.16 124.26 3h65 n TYR 200 Ca -0.11 -3.57 -0.36 0.00 3.32 0.00 0.00 57.90 57.19 3h65 n TYR 200 Cb 0.57 -0.24 -0.09 0.00 -0.63 0.00 0.00 39.34 38.96 3h65 n TYR 200 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 3h65 s HIS 201 N -1.01 3.35 -0.69 2.98 5.65 -1.02 -4.44 115.29 120.11 3h65 s HIS 201 Ca 0.35 0.25 0.26 0.00 0.25 0.00 0.00 55.06 56.17 3h65 s HIS 201 Cb 0.13 -2.20 0.73 0.00 -1.18 0.00 0.00 32.58 30.06 3h65 s HIS 201 CO -0.12 0.17 1.73 -1.00 -0.65 0.00 0.00 174.74 174.87 3h65 h PRO 202 N 7.06 0.00 -5.48 2.88 0.13 -1.89 -0.09 132.00 134.60 3h65 h PRO 202 Ca -0.39 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.38 3h65 h PRO 202 Cb 1.16 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.19 3h65 h PRO 202 CO 0.71 0.00 -0.53 0.41 -0.23 0.00 0.00 178.00 178.36 3h65 n GLY 203 N 1.29 -0.48 0.00 1.56 0.00 -1.26 -4.58 105.19 101.72 3h65 n GLY 203 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3h65 n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h65 s VAL 205 N -2.00 5.01 0.54 0.00 -7.23 -1.26 -4.97 120.40 110.49 3h65 s VAL 205 Ca 0.00 1.33 0.33 0.00 -1.81 0.00 0.00 61.98 61.83 3h65 s VAL 205 Cb 0.00 -4.00 0.36 0.00 0.56 0.00 0.00 36.38 33.30 3h65 s VAL 205 CO 0.00 0.15 2.22 1.55 -0.31 0.00 0.00 175.10 178.71 3h65 h PRO 206 N 7.20 0.00 0.00 4.82 0.13 -1.84 -0.02 132.00 142.28 3h65 h PRO 206 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3h65 h PRO 206 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3h65 h PRO 206 CO 0.78 0.03 0.00 1.05 -0.23 0.00 0.00 178.00 179.63 3h65 h GLU 207 N 0.00 0.00 0.00 0.86 9.09 -1.85 -3.29 114.58 119.39 3h65 h GLU 207 Ca -0.00 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.21 3h65 h GLU 207 Cb 0.12 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.19 3h65 h GLU 207 CO 0.00 0.00 -1.12 1.98 0.05 0.00 0.00 179.01 179.93 3h65 h MET 208 N 0.00 0.00 -5.71 1.06 4.05 -0.97 -1.13 114.93 112.22 3h65 h MET 208 Ca 0.00 0.00 -0.54 0.00 -0.28 0.00 0.00 59.70 58.88 3h65 h MET 208 Cb 0.40 0.00 -0.28 0.00 -0.80 0.00 0.00 31.60 30.92 3h65 h MET 208 CO 0.00 0.99 -0.83 0.15 0.23 0.00 0.00 176.91 177.45 3h65 s LYS 209 N -2.35 1.34 -0.54 0.39 1.02 -1.19 -2.41 119.74 116.01 3h65 s LYS 209 Ca -0.28 -0.72 -0.21 0.00 0.02 0.00 0.00 55.97 54.79 3h65 s LYS 209 Cb 0.05 -1.34 0.06 0.00 -0.52 0.00 0.00 37.83 36.08 3h65 s LYS 209 CO 0.60 0.36 0.75 0.20 -0.92 0.00 0.00 175.35 176.33 3h65 s GLY 210 N -0.69 1.64 -0.26 -3.33 0.00 -1.26 -4.64 107.32 98.78 3h65 s GLY 210 Ca 0.06 -1.66 -0.28 0.00 0.00 0.00 0.00 44.72 42.84 3h65 s GLY 210 CO 0.00 1.69 1.26 -0.86 0.00 0.00 0.00 173.10 175.19 3h65 s GLN 211 N 3.11 0.22 0.02 2.90 -2.07 -1.03 -4.14 119.66 118.66 3h65 s GLN 211 Ca 0.19 0.10 -0.15 0.00 -1.82 0.00 0.00 55.36 53.69 3h65 s GLN 211 Cb -0.18 0.10 0.02 0.00 -1.09 0.00 0.00 33.01 31.87 3h65 s GLN 211 CO 0.13 -0.06 0.33 0.54 -1.32 0.00 0.00 175.29 174.91 3h65 s VAL 212 N -0.73 0.07 -0.17 3.63 0.11 -0.78 -4.63 120.40 117.90 3h65 s VAL 212 Ca 0.06 -0.55 -0.00 0.00 -2.93 0.00 0.00 61.98 58.55 3h65 s VAL 212 Cb -0.02 -0.81 0.04 0.00 -1.53 0.00 0.00 36.38 34.06 3h65 s VAL 212 CO -0.07 -0.30 -0.08 -0.31 -3.33 0.00 0.00 175.10 171.01 3h65 s TYR 213 N -2.00 1.93 -0.24 1.54 1.51 -0.05 -0.96 117.35 119.08 3h65 s TYR 213 Ca -0.09 -1.22 -0.03 0.00 -1.01 0.00 0.00 57.07 54.73 3h65 s TYR 213 Cb -0.03 -1.42 0.01 0.00 -0.11 0.00 0.00 41.96 40.41 3h65 s TYR 213 CO 0.00 -0.65 -0.04 0.42 -1.11 0.00 0.00 175.55 174.17 3h65 s ILE 214 N 1.56 3.19 0.25 2.71 1.01 0.19 -2.43 121.20 127.69 3h65 s ILE 214 Ca 0.01 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 3h65 s ILE 214 Cb -0.15 -2.53 -0.09 0.00 0.01 0.00 0.00 42.46 39.70 3h65 s ILE 214 CO -0.08 0.32 1.08 0.00 0.00 0.00 0.00 174.94 176.25 3h65 s ALA 215 N 1.42 3.39 0.05 9.38 0.00 -1.26 -2.22 121.76 132.52 3h65 s ALA 215 Ca 0.04 0.84 0.04 0.00 0.00 0.00 0.00 51.96 52.87 3h65 s ALA 215 Cb -0.15 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 3h65 s ALA 215 CO -0.04 -0.11 -0.02 -1.21 0.00 0.00 0.00 175.76 174.38 3h65 s GLU 216 N -1.19 2.60 0.00 0.00 2.02 0.30 -4.47 118.70 117.96 3h65 s GLU 216 Ca 0.45 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.68 3h65 s GLU 216 Cb -0.31 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.36 3h65 s GLU 216 CO 0.38 0.58 0.00 0.41 0.02 0.00 0.00 175.26 176.65 3h65 n GLY 217 N 1.00 1.93 0.02 -1.39 0.00 -1.26 -1.74 105.19 103.75 3h65 n GLY 217 Ca -0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.91 3h65 n GLY 217 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h65 n TYR 218 N 0.00 0.01 -4.02 1.61 4.01 -1.26 -5.03 117.16 112.48 3h65 n TYR 218 Ca 0.00 -0.57 -0.08 0.00 -0.16 0.00 0.00 57.90 57.10 3h65 n TYR 218 Cb 0.00 -0.06 -0.09 0.00 -0.31 0.00 0.00 39.34 38.87 3h65 n TYR 218 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h65 s ALA 219 N -1.25 0.28 0.62 -0.72 0.00 -1.18 -1.57 121.76 117.94 3h65 s ALA 219 Ca 0.04 -1.01 -0.18 0.00 0.00 0.00 0.00 51.96 50.82 3h65 s ALA 219 Cb 0.04 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 3h65 s ALA 219 CO 0.01 -0.39 1.20 -1.54 0.00 0.00 0.00 175.76 175.03 3h65 s SER 220 N -2.81 5.05 0.25 0.00 1.04 -1.26 -4.82 113.70 111.15 3h65 s SER 220 Ca 0.05 2.35 -0.03 0.00 0.48 0.00 0.00 55.95 58.80 3h65 s SER 220 Cb 0.06 -2.59 0.51 0.00 0.10 0.00 0.00 66.02 64.10 3h65 s SER 220 CO -0.10 -1.68 1.73 -0.33 0.98 0.00 0.00 173.24 173.84 3h65 h GLU 221 N 0.66 0.46 -0.13 4.02 5.08 -2.01 -0.82 114.58 121.83 3h65 h GLU 221 Ca -0.50 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 57.72 3h65 h GLU 221 Cb 1.29 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3h65 h GLU 221 CO 0.54 0.30 -0.44 1.05 -1.00 0.00 0.00 179.01 179.46 3h65 h GLU 222 N 0.47 0.32 -0.25 2.33 4.11 -1.99 -0.98 114.58 118.59 3h65 h GLU 222 Ca 0.44 -0.16 -0.01 0.00 0.07 0.00 0.00 59.36 59.70 3h65 h GLU 222 Cb 0.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3h65 h GLU 222 CO -0.41 0.70 0.11 0.00 0.07 0.00 0.00 179.01 179.47 3h65 h ALA 223 N 1.28 0.33 -0.32 1.06 0.00 -1.74 -0.89 119.26 118.97 3h65 h ALA 223 Ca 0.02 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3h65 h ALA 223 Cb 0.89 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3h65 h ALA 223 CO 0.07 -0.09 0.07 0.28 0.00 0.00 0.00 179.25 179.58 3h65 h VAL 224 N 0.26 0.85 -0.48 0.00 2.07 -0.95 -2.07 116.25 115.92 3h65 h VAL 224 Ca 0.08 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.44 3h65 h VAL 224 Cb 0.16 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3h65 h VAL 224 CO -0.01 0.03 -0.10 0.78 0.02 0.00 0.00 177.57 178.30 3h65 h ASN 225 N 0.18 0.86 -0.84 0.57 4.21 -1.14 -0.54 115.58 118.88 3h65 h ASN 225 Ca 0.15 -0.26 0.07 0.00 1.21 0.00 0.00 56.30 57.47 3h65 h ASN 225 Cb 0.16 -0.23 -0.06 0.00 -1.12 0.00 0.00 38.32 37.07 3h65 h ASN 225 CO -0.20 0.98 0.55 0.50 -1.29 0.00 0.00 177.43 177.98 3h65 h LYS 226 N 0.79 0.88 0.09 0.81 3.64 -1.01 -1.33 116.57 120.44 3h65 h LYS 226 Ca 0.13 -0.05 -0.27 0.00 -1.27 0.00 0.00 60.65 59.19 3h65 h LYS 226 Cb 0.61 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3h65 h LYS 226 CO 0.04 0.59 -1.15 1.25 -2.27 0.00 0.00 179.45 177.91 3h65 h LEU 227 N 0.91 0.59 -0.43 5.20 5.85 -0.74 -2.66 115.31 124.04 3h65 h LEU 227 Ca 0.37 -0.55 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 3h65 h LEU 227 Cb 0.26 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3h65 h LEU 227 CO -0.14 1.39 0.16 0.22 -0.34 0.00 0.00 178.44 179.73 3h65 h TYR 228 N 0.18 0.67 -0.35 1.25 3.20 -0.87 0.23 116.97 121.29 3h65 h TYR 228 Ca -0.13 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.66 3h65 h TYR 228 Cb 1.82 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.88 3h65 h TYR 228 CO 0.08 0.59 0.14 0.93 -1.64 0.00 0.00 178.16 178.26 3h65 h GLU 229 N 0.56 0.52 -0.70 1.82 4.39 -1.29 0.47 114.58 120.33 3h65 h GLU 229 Ca 0.14 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.77 3h65 h GLU 229 Cb 0.22 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 3h65 h GLU 229 CO -0.01 0.50 0.46 0.82 -1.16 0.00 0.00 179.01 179.62 3h65 h ILE 230 N 0.41 1.15 -0.15 3.13 2.04 -1.32 -2.88 117.51 119.89 3h65 h ILE 230 Ca 0.12 -0.32 -0.17 0.00 1.00 0.00 0.00 64.86 65.49 3h65 h ILE 230 Cb 0.17 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3h65 h ILE 230 CO -0.01 0.17 -0.61 1.23 0.00 0.00 0.00 178.15 178.93 3h65 h GLY 231 N 0.92 0.58 0.88 5.37 0.00 -0.29 -0.03 103.07 110.50 3h65 h GLY 231 Ca 0.27 -0.71 0.03 0.00 0.00 0.00 0.00 47.33 46.92 3h65 h GLY 231 CO -0.07 0.64 0.48 0.50 0.00 0.00 0.00 176.54 178.08 3h65 h LYS 232 N 0.39 0.92 -0.01 4.80 1.57 -0.84 0.20 116.57 123.60 3h65 h LYS 232 Ca -0.01 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3h65 h LYS 232 Cb 1.16 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3h65 h LYS 232 CO 0.11 0.61 -0.02 0.82 -0.57 0.00 0.00 179.45 180.40 3h65 h ILE 233 N 0.94 1.45 -0.02 1.86 2.04 -1.27 -1.37 117.51 121.13 3h65 h ILE 233 Ca 0.30 -1.34 -0.25 0.00 1.00 0.00 0.00 64.86 64.57 3h65 h ILE 233 Cb 0.01 2.34 0.02 0.00 -0.74 0.00 0.00 36.82 38.45 3h65 h ILE 233 CO -0.11 0.35 -0.95 0.00 0.00 0.00 0.00 178.15 177.44 3h65 h ALA 234 N 0.44 0.15 0.00 1.87 0.00 -0.93 -3.34 119.26 117.44 3h65 h ALA 234 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3h65 h ALA 234 Cb 0.58 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3h65 h ALA 234 CO 0.00 0.64 -1.65 0.54 0.00 0.00 0.00 179.25 178.78 3h65 n ARG 235 N -3.92 0.47 0.00 0.00 5.12 0.69 -4.82 116.66 114.20 3h65 n ARG 235 Ca -0.10 -0.13 0.00 0.00 -1.93 0.00 0.00 57.85 55.69 3h65 n ARG 235 Cb 0.84 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 30.60 3h65 n ARG 235 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3h65 n GLY 236 N 1.32 2.70 3.64 -0.13 0.00 -0.52 -2.47 105.19 109.73 3h65 n GLY 236 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 3h65 n GLY 236 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h65 s LYS 237 N -0.63 0.58 0.00 1.61 2.20 -1.24 -4.92 119.74 117.35 3h65 s LYS 237 Ca 0.00 1.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.63 3h65 s LYS 237 Cb 0.00 0.13 -0.00 0.00 -1.51 0.00 0.00 37.83 36.45 3h65 s LYS 237 CO 0.00 -0.13 -0.01 0.00 -0.36 0.00 0.00 175.35 174.86 3h65 s ALA 238 N 1.57 0.04 -0.09 3.13 0.00 -1.26 -1.86 121.76 123.29 3h65 s ALA 238 Ca -0.10 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.79 3h65 s ALA 238 Cb -0.05 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.10 3h65 s ALA 238 CO -0.18 -0.01 -0.13 -0.06 0.00 0.00 0.00 175.76 175.38 3h65 s PHE 239 N -0.19 1.65 -0.14 0.00 0.40 -0.14 -4.95 117.98 114.60 3h65 s PHE 239 Ca -0.02 -0.70 -0.08 0.00 -0.60 0.00 0.00 56.93 55.53 3h65 s PHE 239 Cb -0.01 -1.22 -0.04 0.00 0.51 0.00 0.00 43.02 42.25 3h65 s PHE 239 CO -0.00 -0.38 0.14 0.15 0.70 0.00 0.00 175.22 175.83 3h65 s LYS 240 N 0.92 3.68 0.16 0.44 1.02 -1.26 -0.64 119.74 124.07 3h65 s LYS 240 Ca -0.09 -0.15 -0.16 0.00 0.02 0.00 0.00 55.97 55.59 3h65 s LYS 240 Cb -0.15 -3.26 0.03 0.00 -0.52 0.00 0.00 37.83 33.92 3h65 s LYS 240 CO 0.00 0.63 0.45 0.00 -0.92 0.00 0.00 175.35 175.51 3h65 s MET 241 N -0.59 1.23 0.33 1.68 0.23 -0.94 -4.97 119.30 116.27 3h65 s MET 241 Ca 0.13 -0.84 -0.27 0.00 -1.03 0.00 0.00 55.69 53.68 3h65 s MET 241 Cb -0.12 0.49 -0.13 0.00 -1.53 0.00 0.00 34.83 33.54 3h65 s MET 241 CO 0.02 -0.50 1.02 -2.30 -2.03 0.00 0.00 175.02 171.23 3h65 n PRO 242 N -0.28 1.41 -0.34 3.16 -0.02 -1.26 -0.54 135.00 137.13 3h65 n PRO 242 Ca -0.12 0.50 0.11 0.00 -2.02 0.00 0.00 63.50 61.97 3h65 n PRO 242 Cb 0.63 -1.93 0.31 0.00 -0.02 0.00 0.00 33.50 32.50 3h65 n PRO 242 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h65 h ALA 243 N 1.91 1.67 0.00 3.55 0.00 -1.67 0.31 119.26 125.05 3h65 h ALA 243 Ca -0.41 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3h65 h ALA 243 Cb 1.34 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3h65 h ALA 243 CO 0.60 0.01 0.00 0.27 0.00 0.00 0.00 179.25 180.13 3h65 n ASN 244 N -4.68 0.00 0.03 0.00 6.94 -1.26 -2.10 115.26 114.19 3h65 n ASN 244 Ca 0.21 0.50 0.11 0.00 -0.02 0.00 0.00 54.58 55.38 3h65 n ASN 244 Cb 0.50 -0.50 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 3h65 n ASN 244 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3h65 n LEU 245 N -1.50 0.42 0.11 -4.53 4.77 0.10 -4.48 117.00 111.89 3h65 n LEU 245 Ca 0.02 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 3h65 n LEU 245 Cb 0.08 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 3h65 n LEU 245 CO 0.06 -0.01 0.65 0.40 -1.33 0.00 0.00 177.39 177.16 3h65 h ILE 246 N 0.00 0.32 0.57 -0.08 1.08 -1.47 -1.32 117.51 116.60 3h65 h ILE 246 Ca 0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 3h65 h ILE 246 Cb 0.90 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 3h65 h ILE 246 CO 0.00 0.00 -0.44 1.23 -0.69 0.00 0.00 178.15 178.25 3h65 h GLY 247 N -0.54 -1.12 -0.31 5.37 0.00 -1.80 -0.24 103.07 104.43 3h65 h GLY 247 Ca 0.03 0.50 0.29 0.00 0.00 0.00 0.00 47.33 48.15 3h65 h GLY 247 CO -0.19 -0.37 0.69 -2.55 0.00 0.00 0.00 176.54 174.12 3h65 h PRO 248 N -0.98 0.34 0.19 4.80 0.11 -1.76 -0.16 132.00 134.53 3h65 h PRO 248 Ca -0.07 -0.02 -0.32 0.00 0.11 0.00 0.00 66.00 65.70 3h65 h PRO 248 Cb 0.82 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 31.88 3h65 h PRO 248 CO 0.01 0.22 -1.51 0.28 -0.21 0.00 0.00 178.00 176.80 3h65 h VAL 249 N 0.35 1.22 0.04 3.15 2.07 -1.03 -3.08 116.25 118.97 3h65 h VAL 249 Ca 0.64 -2.75 -0.37 0.00 0.82 0.00 0.00 66.70 65.04 3h65 h VAL 249 Cb 1.68 2.91 -0.05 0.00 -1.52 0.00 0.00 31.29 34.30 3h65 h VAL 249 CO -0.33 0.84 -2.25 0.00 0.02 0.00 0.00 177.57 175.85 3h65 n ASP 251 N -3.23 -1.36 0.30 0.00 8.00 -0.10 -4.82 116.55 115.34 3h65 n ASP 251 Ca -0.37 -1.11 0.19 0.00 0.71 0.00 0.00 54.79 54.21 3h65 n ASP 251 Cb 1.04 -0.79 0.87 0.00 -0.02 0.00 0.00 41.12 42.22 3h65 n ASP 251 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h65 h MET 252 N 0.00 0.00 0.00 -1.24 -0.00 -1.93 0.06 114.93 111.82 3h65 h MET 252 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.37 3h65 h MET 252 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.57 3h65 h MET 252 CO 0.22 0.01 0.00 0.00 -0.00 0.00 0.00 176.91 177.13 3h65 h SER 254 N 0.00 0.10 -0.75 0.00 4.64 -0.88 0.27 113.55 116.94 3h65 h SER 254 Ca 0.00 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 3h65 h SER 254 Cb 0.10 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 3h65 h SER 254 CO 0.00 0.01 0.22 0.00 -0.87 0.00 0.00 176.83 176.19 3h65 h ALA 255 N 1.45 0.99 -0.04 5.18 0.00 -1.80 -1.12 119.26 123.90 3h65 h ALA 255 Ca 0.59 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 3h65 h ALA 255 Cb 2.17 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3h65 h ALA 255 CO -0.08 0.67 -0.20 0.28 0.00 0.00 0.00 179.25 179.92 3h65 h VAL 256 N 1.11 1.46 -0.60 0.00 2.07 -0.80 -2.78 116.25 116.72 3h65 h VAL 256 Ca 0.24 -1.67 0.09 0.00 0.82 0.00 0.00 66.70 66.18 3h65 h VAL 256 Cb 0.32 2.43 -0.07 0.00 -1.52 0.00 0.00 31.29 32.45 3h65 h VAL 256 CO -0.01 0.46 0.22 0.74 0.02 0.00 0.00 177.57 179.01 3h65 h THR 257 N -0.34 0.77 -0.46 2.57 2.02 -1.05 -0.82 112.91 115.60 3h65 h THR 257 Ca -0.01 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 3h65 h THR 257 Cb 0.86 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3h65 h THR 257 CO 0.04 0.07 0.02 0.00 0.37 0.00 0.00 175.52 176.02 3h65 h ALA 258 N 1.41 0.62 -0.11 6.16 0.00 -1.27 -0.46 119.26 125.61 3h65 h ALA 258 Ca 0.30 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3h65 h ALA 258 Cb 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3h65 h ALA 258 CO -0.30 0.40 -0.32 1.15 0.00 0.00 0.00 179.25 180.17 3h65 h THR 259 N 0.65 1.38 -0.26 0.00 2.02 -1.18 -0.04 112.91 115.49 3h65 h THR 259 Ca 0.13 -1.64 -0.01 0.00 0.77 0.00 0.00 66.41 65.66 3h65 h THR 259 Cb 0.47 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 3h65 h THR 259 CO 0.02 0.48 0.10 0.58 0.37 0.00 0.00 175.52 177.08 3h65 h VAL 260 N -0.00 1.17 -0.17 3.16 2.07 -1.21 -1.17 116.25 120.10 3h65 h VAL 260 Ca -0.01 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3h65 h VAL 260 Cb 0.94 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3h65 h VAL 260 CO 0.07 0.17 0.08 0.22 0.02 0.00 0.00 177.57 178.13 3h65 h TYR 261 N 0.26 0.25 -0.15 1.57 3.20 -1.09 -0.72 116.97 120.30 3h65 h TYR 261 Ca 0.09 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.96 3h65 h TYR 261 Cb 0.17 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3h65 h TYR 261 CO -0.01 0.29 0.02 0.00 -1.64 0.00 0.00 178.16 176.82 3h65 h ALA 262 N 0.93 0.14 -0.66 1.82 0.00 -0.95 -1.21 119.26 119.34 3h65 h ALA 262 Ca 0.06 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.13 3h65 h ALA 262 Cb 0.14 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.85 3h65 h ALA 262 CO -0.01 -0.43 -0.21 0.78 0.00 0.00 0.00 179.25 179.38 3h65 h GLY 263 N 0.08 0.33 0.96 0.00 0.00 -1.06 -1.51 103.07 101.86 3h65 h GLY 263 Ca 0.07 0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 3h65 h GLY 263 CO -0.10 -0.25 0.19 1.41 0.00 0.00 0.00 176.54 177.80 3h65 h LEU 264 N -0.05 0.56 -0.40 3.11 3.38 -0.73 -0.77 115.31 120.41 3h65 h LEU 264 Ca 0.30 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 3h65 h LEU 264 Cb 0.52 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3h65 h LEU 264 CO -0.70 0.54 -0.02 -0.07 0.09 0.00 0.00 178.44 178.28 3h65 h LEU 265 N 0.54 0.71 -0.64 1.67 3.38 -1.06 0.43 115.31 120.34 3h65 h LEU 265 Ca 0.14 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 3h65 h LEU 265 Cb 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3h65 h LEU 265 CO -0.02 0.86 -0.26 0.00 0.09 0.00 0.00 178.44 179.11 3h65 h ALA 266 N 0.87 0.82 -0.12 1.53 0.00 -1.22 -1.93 119.26 119.22 3h65 h ALA 266 Ca 0.11 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3h65 h ALA 266 Cb 0.51 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3h65 h ALA 266 CO 0.02 0.64 -0.12 -0.92 0.00 0.00 0.00 179.25 178.87 3h65 h TYR 267 N 0.68 0.35 -0.27 0.00 3.20 -1.12 -0.77 116.97 119.03 3h65 h TYR 267 Ca 0.09 -0.11 0.06 0.00 3.14 0.00 0.00 58.73 61.91 3h65 h TYR 267 Cb 0.79 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.91 3h65 h TYR 267 CO 0.04 0.71 -0.32 -0.09 -1.64 0.00 0.00 178.16 176.86 3h65 h ARG 268 N -0.11 -0.31 -0.40 1.82 2.43 -0.85 -0.07 114.38 116.89 3h65 h ARG 268 Ca 0.02 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 3h65 h ARG 268 Cb 0.65 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 3h65 h ARG 268 CO 0.03 -0.20 -0.03 -0.44 -1.51 0.00 0.00 179.97 177.81 3h65 h ASP 269 N -0.32 0.62 0.14 -3.80 5.19 -1.34 -1.52 116.42 115.39 3h65 h ASP 269 Ca 0.13 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 3h65 h ASP 269 Cb 0.54 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.88 3h65 h ASP 269 CO -0.45 0.72 -0.07 0.00 -3.12 0.00 0.00 179.24 176.32 3h65 h ALA 270 N 1.36 -0.19 -0.04 3.45 0.00 -0.67 -2.61 119.26 120.56 3h65 h ALA 270 Ca 0.12 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 3h65 h ALA 270 Cb 0.43 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3h65 h ALA 270 CO 0.02 -0.45 -0.78 -0.39 0.00 0.00 0.00 179.25 177.65 3h65 h VAL 271 N -0.50 1.42 0.01 0.00 -1.51 -0.99 -1.29 116.25 113.38 3h65 h VAL 271 Ca -0.02 -2.30 -0.14 0.00 -1.23 0.00 0.00 66.70 63.01 3h65 h VAL 271 Cb 0.40 2.25 0.01 0.00 -2.13 0.00 0.00 31.29 31.81 3h65 h VAL 271 CO 0.03 0.68 -0.53 0.71 -1.23 0.00 0.00 177.57 177.23 3h65 h THR 272 N 0.20 1.46 0.04 7.19 1.35 -1.38 -1.56 112.91 120.21 3h65 h THR 272 Ca -0.04 -2.08 -0.28 0.00 -0.55 0.00 0.00 66.41 63.46 3h65 h THR 272 Cb 1.37 2.68 -0.03 0.00 -1.73 0.00 0.00 68.15 70.44 3h65 h THR 272 CO 0.13 0.60 -1.54 0.11 -0.25 0.00 0.00 175.52 174.57 3h65 h LYS 273 N -0.22 0.08 0.00 4.72 1.57 -1.55 -3.16 116.57 118.00 3h65 h LYS 273 Ca -0.07 -0.13 -0.37 0.00 -1.87 0.00 0.00 60.65 58.21 3h65 h LYS 273 Cb 1.27 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 33.56 3h65 h LYS 273 CO 0.10 0.80 -2.35 -0.89 -0.57 0.00 0.00 179.45 176.54 3h65 n ILE 274 N -3.24 1.35 0.85 1.86 5.41 -0.51 -4.49 119.36 120.60 3h65 n ILE 274 Ca -0.14 -0.45 0.13 0.00 1.00 0.00 0.00 62.75 63.28 3h65 n ILE 274 Cb 1.03 -1.51 0.43 0.00 -0.71 0.00 0.00 39.64 38.88 3h65 n ILE 274 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3h65 n LEU 275 N -3.51 0.39 0.00 1.39 4.77 -1.09 -4.94 117.00 114.01 3h65 n LEU 275 Ca -0.44 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3h65 n LEU 275 Cb 0.91 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3h65 n LEU 275 CO 0.16 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 3h65 n GLY 276 N 1.43 0.58 3.78 -0.72 0.00 -0.96 -4.99 105.19 104.31 3h65 n GLY 276 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3h65 n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h65 s ALA 277 N -2.71 3.53 0.56 4.61 0.00 -0.63 -4.95 121.76 122.18 3h65 s ALA 277 Ca 0.00 1.49 -0.17 0.00 0.00 0.00 0.00 51.96 53.29 3h65 s ALA 277 Cb 0.00 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 3h65 s ALA 277 CO 0.00 -0.97 1.04 -1.25 0.00 0.00 0.00 175.76 174.58 3h65 s PRO 278 N -2.06 3.51 0.20 0.00 0.04 -1.26 -3.96 135.00 131.48 3h65 s PRO 278 Ca 0.52 1.18 -0.13 0.00 0.04 0.00 0.00 61.00 62.61 3h65 s PRO 278 Cb -0.45 -2.06 0.24 0.00 0.04 0.00 0.00 34.50 32.27 3h65 s PRO 278 CO 0.60 -0.65 1.65 0.00 0.04 0.00 0.00 177.00 178.64 3h65 h ALA 279 N 0.70 0.48 -0.75 8.56 0.00 -1.96 -0.89 119.26 125.39 3h65 h ALA 279 Ca -0.47 0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.72 3h65 h ALA 279 Cb 1.21 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 3h65 h ALA 279 CO 0.58 -0.42 0.43 -0.44 0.00 0.00 0.00 179.25 179.40 3h65 h ASP 280 N 0.05 0.62 -0.04 0.00 5.19 -1.99 0.23 116.42 120.48 3h65 h ASP 280 Ca 0.29 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.73 3h65 h ASP 280 Cb 0.46 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.89 3h65 h ASP 280 CO -0.56 0.38 -0.00 0.15 -3.12 0.00 0.00 179.24 176.09 3h65 h PHE 281 N 0.75 0.09 -0.98 4.55 3.57 -1.61 -2.12 116.94 121.19 3h65 h PHE 281 Ca 0.35 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.99 3h65 h PHE 281 Cb 0.27 -0.02 -0.10 0.00 2.79 0.00 0.00 35.95 38.89 3h65 h PHE 281 CO -0.07 0.38 0.59 0.00 -2.23 0.00 0.00 178.31 176.98 3h65 h ALA 282 N 0.70 1.56 -0.33 2.41 0.00 -0.83 -2.41 119.26 120.36 3h65 h ALA 282 Ca 0.01 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3h65 h ALA 282 Cb 0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3h65 h ALA 282 CO 0.00 0.04 -0.01 0.37 0.00 0.00 0.00 179.25 179.65 3h65 h GLN 283 N 0.83 0.59 -0.59 0.00 4.15 -0.78 -1.75 115.11 117.56 3h65 h GLN 283 Ca 0.53 -0.19 -0.06 0.00 0.77 0.00 0.00 58.65 59.70 3h65 h GLN 283 Cb 0.72 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 3h65 h GLN 283 CO -0.34 0.73 0.14 0.00 -1.93 0.00 0.00 178.83 177.43 3h65 h MET 284 N 0.39 0.95 0.08 1.69 -0.00 -1.01 0.33 114.93 117.35 3h65 h MET 284 Ca 0.09 -0.23 -0.00 0.00 -0.00 0.00 0.00 59.70 59.56 3h65 h MET 284 Cb 0.47 -0.12 0.00 0.00 -0.00 0.00 0.00 31.60 31.95 3h65 h MET 284 CO 0.02 0.87 -0.04 0.52 -0.00 0.00 0.00 176.91 178.29 3h65 h MET 285 N 0.85 -0.10 -0.74 -0.10 2.86 -1.46 -2.07 114.93 114.17 3h65 h MET 285 Ca 0.18 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 3h65 h MET 285 Cb 0.36 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 3h65 h MET 285 CO 0.00 0.14 0.36 0.00 1.06 0.00 0.00 176.91 178.47 3h65 h ALA 286 N 0.57 1.23 0.16 6.32 0.00 -0.95 -2.08 119.26 124.50 3h65 h ALA 286 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3h65 h ALA 286 Cb 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3h65 h ALA 286 CO 0.02 0.59 -0.13 0.22 0.00 0.00 0.00 179.25 179.95 3h65 h ASP 287 N 1.05 -0.32 -0.38 0.00 1.82 -0.32 -0.69 116.42 117.57 3h65 h ASP 287 Ca 0.26 0.03 0.06 0.00 -0.39 0.00 0.00 57.03 56.98 3h65 h ASP 287 Cb 0.10 0.11 -0.05 0.00 0.68 0.00 0.00 39.33 40.17 3h65 h ASP 287 CO -0.03 -0.20 0.08 -0.08 -1.61 0.00 0.00 179.24 177.40 3h65 h GLU 288 N -0.29 0.21 -0.15 0.28 4.57 -1.06 -0.42 114.58 117.72 3h65 h GLU 288 Ca -0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3h65 h GLU 288 Cb 0.27 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3h65 h GLU 288 CO -0.01 0.14 0.09 0.00 -1.18 0.00 0.00 179.01 178.05 3h65 h ALA 289 N 1.28 0.18 -0.38 2.92 0.00 -1.16 -1.22 119.26 120.88 3h65 h ALA 289 Ca 0.18 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3h65 h ALA 289 Cb 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3h65 h ALA 289 CO -0.23 -0.33 0.17 -0.07 0.00 0.00 0.00 179.25 178.79 3h65 h LEU 290 N 0.19 0.24 -0.11 0.00 3.38 -0.91 -1.30 115.31 116.80 3h65 h LEU 290 Ca 0.05 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3h65 h LEU 290 Cb -0.02 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3h65 h LEU 290 CO -0.01 0.18 -0.16 0.74 0.09 0.00 0.00 178.44 179.28 3h65 h THR 291 N 0.36 0.59 -0.15 0.22 2.02 -0.98 -1.07 112.91 113.90 3h65 h THR 291 Ca 0.17 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.23 3h65 h THR 291 Cb 0.10 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3h65 h THR 291 CO -0.13 0.00 -0.42 1.56 0.37 0.00 0.00 175.52 176.90 3h65 h GLN 292 N -0.20 0.35 -0.28 6.66 1.08 -0.95 0.81 115.11 122.58 3h65 h GLN 292 Ca 0.09 -0.17 -0.14 0.00 -1.45 0.00 0.00 58.65 56.97 3h65 h GLN 292 Cb 0.33 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3h65 h GLN 292 CO -0.23 0.71 -0.38 0.82 -0.95 0.00 0.00 178.83 178.81 3h65 h ILE 293 N 0.29 1.30 -0.07 2.54 1.08 -1.11 -0.60 117.51 120.94 3h65 h ILE 293 Ca 0.02 -1.57 0.03 0.00 -0.39 0.00 0.00 64.86 62.96 3h65 h ILE 293 Cb 0.86 1.64 -0.04 0.00 -3.07 0.00 0.00 36.82 36.22 3h65 h ILE 293 CO 0.07 0.50 -0.15 -0.74 -0.69 0.00 0.00 178.15 177.14 3h65 h HIS 294 N 0.49 -0.38 -0.74 1.37 2.76 -1.01 -1.58 115.15 116.06 3h65 h HIS 294 Ca 0.03 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.31 3h65 h HIS 294 Cb 0.97 0.18 -0.07 0.00 1.55 0.00 0.00 27.41 30.04 3h65 h HIS 294 CO 0.08 -0.22 0.40 -0.91 -1.30 0.00 0.00 177.93 175.97 3h65 h ASN 295 N -0.21 0.55 -0.34 3.26 2.35 -0.71 -0.38 115.58 120.09 3h65 h ASN 295 Ca 0.07 0.05 0.05 0.00 -0.55 0.00 0.00 56.30 55.92 3h65 h ASN 295 Cb 0.32 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 3h65 h ASN 295 CO -0.20 0.32 0.07 0.25 -1.65 0.00 0.00 177.43 176.23 3h65 h LEU 296 N 0.68 0.03 -0.35 1.61 5.85 -0.80 0.32 115.31 122.66 3h65 h LEU 296 Ca 0.36 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 59.08 3h65 h LEU 296 Cb 0.33 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3h65 h LEU 296 CO -0.25 0.05 0.03 -0.03 -0.34 0.00 0.00 178.44 177.90 3h65 h MET 297 N 0.20 0.59 -0.42 1.25 4.05 -0.54 0.32 114.93 120.38 3h65 h MET 297 Ca 0.16 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3h65 h MET 297 Cb 0.17 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 3h65 h MET 297 CO -0.20 0.69 0.26 0.87 0.23 0.00 0.00 176.91 178.76 3h65 h LYS 298 N 0.41 0.56 -0.19 0.39 1.57 -0.93 0.83 116.57 119.22 3h65 h LYS 298 Ca 0.10 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 3h65 h LYS 298 Cb 0.40 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3h65 h LYS 298 CO 0.01 0.41 -0.35 0.93 -0.57 0.00 0.00 179.45 179.88 3h65 h GLU 299 N 0.56 0.57 0.00 3.15 4.39 -0.25 -3.34 114.58 119.66 3h65 h GLU 299 Ca 0.15 -0.36 -0.05 0.00 0.34 0.00 0.00 59.36 59.44 3h65 h GLU 299 Cb -0.02 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3h65 h GLU 299 CO -0.03 0.97 -1.28 1.63 -1.16 0.00 0.00 179.01 179.14 3h65 n LYS 300 N -4.30 0.62 0.00 2.33 4.76 0.09 -5.08 118.16 116.58 3h65 n LYS 300 Ca -0.06 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 3h65 n LYS 300 Cb 0.50 -1.77 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 3h65 n LYS 300 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h65 n GLY 301 N 1.26 -1.99 0.31 0.72 0.00 0.28 -4.27 105.19 101.51 3h65 n GLY 301 Ca -0.04 -1.29 0.14 0.00 0.00 0.00 0.00 46.02 44.82 3h65 n GLY 301 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3h65 h ILE 302 N 0.00 0.80 0.00 -0.61 2.10 -1.91 -1.98 117.51 115.92 3h65 h ILE 302 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3h65 h ILE 302 Cb 0.00 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 36.62 3h65 h ILE 302 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3h65 h ALA 303 N 1.88 1.00 -0.02 0.18 0.00 -1.93 -3.32 119.26 117.05 3h65 h ALA 303 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3h65 h ALA 303 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3h65 h ALA 303 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 3h65 n ASN 304 N -2.72 2.20 -0.26 0.00 3.02 -0.76 -4.76 115.26 111.98 3h65 n ASN 304 Ca 0.04 -2.39 0.04 0.00 -0.03 0.00 0.00 54.58 52.24 3h65 n ASN 304 Cb 0.42 -0.16 0.18 0.00 -0.61 0.00 0.00 39.78 39.60 3h65 n ASN 304 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 3h65 h MET 305 N 0.12 0.54 0.00 3.52 2.86 -1.63 -2.21 114.93 118.14 3h65 h MET 305 Ca 0.00 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3h65 h MET 305 Cb 0.70 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 3h65 h MET 305 CO 0.01 0.36 -0.01 0.93 1.06 0.00 0.00 176.91 179.26 3h65 h GLU 306 N 0.56 0.00 -0.49 1.72 3.07 -1.86 -0.63 114.58 116.94 3h65 h GLU 306 Ca 0.40 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.22 3h65 h GLU 306 Cb 0.53 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 3h65 h GLU 306 CO -0.34 0.01 0.13 0.93 -1.40 0.00 0.00 179.01 178.34 3h65 h GLU 307 N 0.00 0.74 0.08 2.33 5.08 -1.77 -3.07 114.58 117.97 3h65 h GLU 307 Ca -0.00 -0.14 -0.35 0.00 -1.00 0.00 0.00 59.36 57.88 3h65 h GLU 307 Cb 0.03 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3h65 h GLU 307 CO 0.00 0.66 -1.95 0.00 -1.00 0.00 0.00 179.01 176.72 3h65 n ALA 308 N -2.46 1.11 -3.70 3.43 0.00 -0.31 -4.82 120.51 113.76 3h65 n ALA 308 Ca 0.03 -0.69 -0.30 0.00 0.00 0.00 0.00 53.44 52.49 3h65 n ALA 308 Cb 0.20 -0.68 -0.15 0.00 0.00 0.00 0.00 19.45 18.82 3h65 n ALA 308 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3h65 s LEU 309 N -6.69 1.89 -0.10 0.00 2.96 -0.80 -5.10 118.68 110.85 3h65 s LEU 309 Ca -0.18 -1.53 -0.33 0.00 -0.22 0.00 0.00 54.13 51.88 3h65 s LEU 309 Cb 0.07 -0.76 -0.10 0.00 0.50 0.00 0.00 46.19 45.89 3h65 s LEU 309 CO 0.78 -0.41 1.97 -0.67 -1.32 0.00 0.00 176.35 176.70 3h65 n ASP 310 N 4.93 3.49 -0.03 3.68 -0.08 -1.16 -4.17 116.55 123.21 3h65 n ASP 310 Ca -0.03 0.82 0.24 0.00 -1.51 0.00 0.00 54.79 54.31 3h65 n ASP 310 Cb 0.42 -1.42 0.72 0.00 2.34 0.00 0.00 41.12 43.18 3h65 n ASP 310 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3h65 h PRO 311 N 10.50 0.00 0.00 -0.67 0.11 -1.85 0.26 132.00 140.35 3h65 h PRO 311 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3h65 h PRO 311 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3h65 h PRO 311 CO 0.95 0.00 -0.12 0.00 -0.21 0.00 0.00 178.00 178.63 3h65 h ALA 312 N 1.48 1.52 -1.01 -0.75 0.00 -1.87 -2.83 119.26 115.80 3h65 h ALA 312 Ca 0.30 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.34 3h65 h ALA 312 Cb 1.41 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.08 3h65 h ALA 312 CO -0.00 0.15 0.63 0.00 0.00 0.00 0.00 179.25 180.03 3h65 h ALA 313 N 1.88 2.02 0.00 0.00 0.00 -1.31 -1.46 119.26 120.39 3h65 h ALA 313 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3h65 h ALA 313 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3h65 h ALA 313 CO 0.02 -0.42 -0.07 1.28 0.00 0.00 0.00 179.25 180.05 3h65 n LEU 314 N -4.69 0.52 -0.27 0.00 4.77 -1.07 -3.94 117.00 112.32 3h65 n LEU 314 Ca 0.24 0.50 -0.03 0.00 -0.03 0.00 0.00 56.01 56.69 3h65 n LEU 314 Cb 0.76 -0.37 0.15 0.00 -2.33 0.00 0.00 43.42 41.63 3h65 n LEU 314 CO 0.23 -0.10 1.16 -0.07 -1.33 0.00 0.00 177.39 177.28 3h65 h LEU 315 N 0.00 1.00 -2.51 2.23 3.38 -1.40 -1.88 115.31 116.14 3h65 h LEU 315 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3h65 h LEU 315 Cb 0.65 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3h65 h LEU 315 CO 0.00 0.81 0.00 0.61 0.09 0.00 0.00 178.44 179.95 3h65 n GLY 316 N -1.15 2.10 0.59 0.83 0.00 -1.25 -3.41 105.19 102.88 3h65 n GLY 316 Ca 0.08 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 3h65 n GLY 316 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h65 n THR 317 N 1.56 0.67 0.54 2.61 -2.24 -1.09 -4.73 114.28 111.61 3h65 n THR 317 Ca 0.22 -0.18 0.13 0.00 -2.27 0.00 0.00 64.05 61.95 3h65 n THR 317 Cb 0.61 -1.62 0.43 0.00 -2.10 0.00 0.00 70.33 67.65 3h65 n THR 317 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h65 n ALA 318 N -3.51 2.09 -0.13 6.98 0.00 -0.73 -2.61 120.51 122.61 3h65 n ALA 318 Ca -0.24 0.01 0.17 0.00 0.00 0.00 0.00 53.44 53.39 3h65 n ALA 318 Cb 0.67 -1.45 0.56 0.00 0.00 0.00 0.00 19.45 19.23 3h65 n ALA 318 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3h65 h ASP 319 N 0.00 0.28 -0.02 0.00 2.03 -1.71 -1.38 116.42 115.63 3h65 h ASP 319 Ca 0.00 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 3h65 h ASP 319 Cb 0.63 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 3h65 h ASP 319 CO 0.00 0.15 0.00 -1.54 -1.03 0.00 0.00 179.24 176.82 3h65 n SER 320 N -4.45 0.43 -1.05 4.15 3.41 -1.07 -2.70 113.62 112.33 3h65 n SER 320 Ca 0.14 -1.29 0.11 0.00 -0.26 0.00 0.00 58.87 57.56 3h65 n SER 320 Cb 0.57 -0.01 0.20 0.00 -0.26 0.00 0.00 64.21 64.71 3h65 n SER 320 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3h65 n MET 321 N -0.60 2.40 -2.42 4.33 2.81 -0.52 -4.87 117.12 118.25 3h65 n MET 321 Ca 0.19 -2.21 -0.43 0.00 -1.81 0.00 0.00 57.70 53.45 3h65 n MET 321 Cb 0.16 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 3h65 n MET 321 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h65 s PHE 323 N 3.18 0.21 0.00 0.00 -0.12 -1.26 -4.62 117.98 115.36 3h65 s PHE 323 Ca 0.49 -0.56 0.00 0.00 -0.05 0.00 0.00 56.93 56.81 3h65 s PHE 323 Cb 0.06 0.14 0.00 0.00 -0.63 0.00 0.00 43.02 42.59 3h65 s PHE 323 CO 0.02 -0.84 0.00 0.41 -0.05 0.00 0.00 175.22 174.76 3h65 n GLY 324 N -0.29 1.62 0.35 1.99 0.00 -1.26 -1.36 105.19 106.24 3h65 n GLY 324 Ca -0.07 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.85 3h65 n GLY 324 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h65 h PRO 325 N 0.00 0.00 0.00 1.61 0.11 -1.91 -0.11 132.00 131.71 3h65 h PRO 325 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3h65 h PRO 325 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3h65 h PRO 325 CO 0.00 0.00 -0.76 1.28 -0.21 0.00 0.00 178.00 178.31 3h65 n LEU 326 N -2.87 0.62 0.00 2.35 4.77 -0.47 -4.22 117.00 117.19 3h65 n LEU 326 Ca 0.00 0.02 0.04 0.00 -0.03 0.00 0.00 56.01 56.04 3h65 n LEU 326 Cb 0.60 -0.16 0.18 0.00 -2.33 0.00 0.00 43.42 41.71 3h65 n LEU 326 CO 0.11 0.06 0.59 0.00 -1.33 0.00 0.00 177.39 176.82 3h65 n ALA 327 N -1.70 1.45 -0.10 -1.18 0.00 -0.05 -1.53 120.51 117.39 3h65 n ALA 327 Ca 0.04 -0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 3h65 n ALA 327 Cb 0.40 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 3h65 n ALA 327 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h65 n GLU 328 N -1.39 0.53 -0.05 0.00 -0.58 -1.26 -4.62 120.64 113.27 3h65 n GLU 328 Ca 0.03 0.22 -0.12 0.00 -0.42 0.00 0.00 57.16 56.87 3h65 n GLU 328 Cb 0.08 -1.41 -0.06 0.00 -0.57 0.00 0.00 31.44 29.47 3h65 n GLU 328 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 3h65 h ILE 329 N -0.96 1.25 -0.02 -3.67 2.10 -1.78 -3.20 117.51 111.23 3h65 h ILE 329 Ca -0.21 -0.81 0.03 0.00 1.08 0.00 0.00 64.86 64.95 3h65 h ILE 329 Cb 1.15 1.48 -0.04 0.00 -1.09 0.00 0.00 36.82 38.33 3h65 h ILE 329 CO -0.13 0.24 -0.19 -0.07 -1.08 0.00 0.00 178.15 176.93 3h65 h LEU 330 N 0.02 -0.55 -0.76 2.19 3.38 -1.58 -0.21 115.31 117.80 3h65 h LEU 330 Ca 0.04 0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.23 3h65 h LEU 330 Cb 0.36 0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 3h65 h LEU 330 CO 0.01 -0.25 0.34 -0.65 0.09 0.00 0.00 178.44 177.98 3h65 h PRO 331 N -0.29 0.50 -0.57 1.13 0.11 -1.76 0.31 132.00 131.43 3h65 h PRO 331 Ca 0.06 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.15 3h65 h PRO 331 Cb 0.38 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.35 3h65 h PRO 331 CO -0.19 0.33 0.38 1.15 -0.21 0.00 0.00 178.00 179.46 3h65 h THR 332 N 0.51 1.15 -0.61 -1.15 2.02 -1.42 -1.75 112.91 111.66 3h65 h THR 332 Ca 0.41 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 3h65 h THR 332 Cb 0.57 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3h65 h THR 332 CO -0.36 0.14 0.32 0.00 0.37 0.00 0.00 175.52 175.99 3h65 h ALA 333 N 1.21 1.40 0.00 6.16 0.00 0.05 -2.46 119.26 125.62 3h65 h ALA 333 Ca 0.21 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 3h65 h ALA 333 Cb -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3h65 h ALA 333 CO -0.04 0.48 -0.70 -0.07 0.00 0.00 0.00 179.25 178.92 3h65 h LEU 334 N 0.86 0.00 0.05 0.00 3.38 -0.63 -1.24 115.31 117.73 3h65 h LEU 334 Ca 0.22 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.20 3h65 h LEU 334 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3h65 h LEU 334 CO -0.03 0.70 -0.10 0.11 0.09 0.00 0.00 178.44 179.20 3h65 h LYS 335 N 0.00 -0.20 -0.57 1.13 1.57 -1.06 0.31 116.57 117.75 3h65 h LYS 335 Ca -0.01 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3h65 h LYS 335 Cb 1.24 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.53 3h65 h LYS 335 CO 0.09 -0.13 0.19 0.28 -0.57 0.00 0.00 179.45 179.31 3h65 h VAL 336 N -0.20 0.77 -0.61 0.50 2.07 -1.24 -2.02 116.25 115.51 3h65 h VAL 336 Ca 0.02 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 3h65 h VAL 336 Cb 0.23 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3h65 h VAL 336 CO -0.07 0.07 0.10 -0.07 0.02 0.00 0.00 177.57 177.62 3h65 h LEU 337 N 0.37 0.98 -1.38 2.57 3.38 -1.04 -2.54 115.31 117.64 3h65 h LEU 337 Ca 0.28 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3h65 h LEU 337 Cb 0.34 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3h65 h LEU 337 CO -0.30 0.99 0.43 -0.08 0.09 0.00 0.00 178.44 179.57 3h65 h GLU 338 N 0.93 0.82 0.00 1.13 4.22 -0.35 -1.15 114.58 120.18 3h65 h GLU 338 Ca 0.19 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.55 3h65 h GLU 338 Cb 0.43 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3h65 h GLU 338 CO 0.01 0.54 -0.13 0.87 -2.18 0.00 0.00 179.01 178.12 3h65 h LYS 339 N 0.84 0.00 -0.58 1.92 1.57 -0.96 -2.97 116.57 116.40 3h65 h LYS 339 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3h65 h LYS 339 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3h65 h LYS 339 CO -0.06 0.13 0.00 0.72 -0.57 0.00 0.00 179.45 179.67 3h65 n HIS 340 N -3.73 0.87 -1.69 -1.35 8.25 -0.46 -5.01 115.22 112.11 3h65 n HIS 340 Ca -0.02 -0.53 -0.40 0.00 -0.26 0.00 0.00 57.72 56.51 3h65 n HIS 340 Cb 0.24 -0.05 0.02 0.00 1.12 0.00 0.00 29.99 31.32 3h65 n HIS 340 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3h65 n LYS 341 N 1.13 1.72 -2.12 -0.41 2.85 -1.05 -4.52 118.16 115.76 3h65 n LYS 341 Ca 0.20 0.62 -0.41 0.00 -1.05 0.00 0.00 58.31 57.67 3h65 n LYS 341 Cb 0.60 -2.35 -0.02 0.00 -0.65 0.00 0.00 35.03 32.61 3h65 n LYS 341 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3h65 s VAL 342 N -1.25 2.81 -0.11 0.58 1.01 -1.26 -4.98 120.40 117.19 3h65 s VAL 342 Ca 0.64 0.76 0.03 0.00 0.00 0.00 0.00 61.98 63.41 3h65 s VAL 342 Cb -0.49 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 3h65 s VAL 342 CO 0.55 0.16 -0.20 -0.69 0.00 0.00 0.00 175.10 174.93 3h65 s VAL 343 N -0.73 2.46 0.47 2.92 1.01 -1.26 -5.04 120.40 120.22 3h65 s VAL 343 Ca 0.52 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.66 3h65 s VAL 343 Cb -0.39 -1.98 0.04 0.00 0.00 0.00 0.00 36.38 34.05 3h65 s VAL 343 CO 0.48 0.55 0.36 -0.62 0.00 0.00 0.00 175.10 175.87 3h65 n GLU 344 N 3.46 0.80 0.00 2.72 -0.58 -1.26 -5.28 120.64 120.50 3h65 n GLU 344 Ca -0.19 -2.90 0.00 0.00 -0.42 0.00 0.00 57.16 53.66 3h65 n GLU 344 Cb 0.53 0.29 0.00 0.00 -0.57 0.00 0.00 31.44 31.69 3h65 n GLU 344 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80