#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h54 n ASP 19 N 0.00 7.34 -0.94 1.96 2.03 -1.26 -4.46 116.55 121.22 3h54 n ASP 19 Ca 0.00 -3.13 0.08 0.00 0.52 0.00 0.00 54.79 52.26 3h54 n ASP 19 Cb 0.00 -1.32 0.23 0.00 -0.72 0.00 0.00 41.12 39.31 3h54 n ASP 19 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3h54 n ASN 20 N 1.47 3.52 0.00 1.67 0.23 -1.26 -4.95 115.26 115.94 3h54 n ASN 20 Ca 0.57 -2.22 0.00 0.00 -0.53 0.00 0.00 54.58 52.39 3h54 n ASN 20 Cb 0.39 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 3h54 n ASN 20 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h54 n GLY 21 N 0.63 0.81 3.83 4.83 0.00 -1.26 -4.96 105.19 109.07 3h54 n GLY 21 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3h54 n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h54 s LEU 22 N 0.00 3.99 -1.26 0.99 1.43 -1.26 -4.63 118.68 117.94 3h54 s LEU 22 Ca 0.00 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 3h54 s LEU 22 Cb 0.00 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.59 3h54 s LEU 22 CO 0.00 0.16 1.04 0.18 0.23 0.00 0.00 176.35 177.96 3h54 n LEU 23 N 0.33 -3.80 0.25 1.79 4.32 -1.26 -4.28 117.00 114.35 3h54 n LEU 23 Ca -0.07 -0.61 0.17 0.00 -0.02 0.00 0.00 56.01 55.48 3h54 n LEU 23 Cb 0.52 -3.08 0.73 0.00 -1.62 0.00 0.00 43.42 39.97 3h54 n LEU 23 CO 0.47 0.46 0.99 1.56 -1.22 0.00 0.00 177.39 179.65 3h54 h GLN 24 N -2.14 0.00 -6.05 3.23 1.08 -1.89 0.12 115.11 109.46 3h54 h GLN 24 Ca -0.58 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.07 3h54 h GLN 24 Cb 1.35 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 28.61 3h54 h GLN 24 CO 0.52 0.00 -0.78 0.95 -0.95 0.00 0.00 178.83 178.57 3h54 s THR 25 N -3.67 2.01 0.45 -0.54 -4.23 -1.26 -4.34 115.64 104.06 3h54 s THR 25 Ca 0.01 -2.06 -0.24 0.00 -1.18 0.00 0.00 61.69 58.21 3h54 s THR 25 Cb 0.10 -2.00 -0.09 0.00 1.34 0.00 0.00 72.50 71.85 3h54 s THR 25 CO 0.47 -0.33 1.18 -2.65 -0.54 0.00 0.00 174.62 172.74 3h54 n PRO 26 N 0.04 1.64 -2.14 3.99 -0.02 -1.26 -4.88 135.00 132.37 3h54 n PRO 26 Ca -0.11 0.59 -0.39 0.00 -2.02 0.00 0.00 63.50 61.57 3h54 n PRO 26 Cb 0.58 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 3h54 n PRO 26 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3h54 s PRO 27 N -2.27 3.94 -0.02 0.52 0.04 -1.26 -4.78 135.00 131.17 3h54 s PRO 27 Ca 0.64 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.77 3h54 s PRO 27 Cb -0.50 -2.68 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 3h54 s PRO 27 CO 0.56 -0.47 -0.22 -1.64 0.04 0.00 0.00 177.00 175.27 3h54 s MET 28 N -2.32 1.83 0.00 4.56 -1.94 -1.26 -1.10 119.30 119.06 3h54 s MET 28 Ca 0.58 -0.80 0.00 0.00 -1.71 0.00 0.00 55.69 53.76 3h54 s MET 28 Cb -0.35 -1.76 0.00 0.00 2.01 0.00 0.00 34.83 34.73 3h54 s MET 28 CO 0.44 0.48 0.00 0.41 -0.01 0.00 0.00 175.02 176.34 3h54 n GLY 29 N 2.54 -0.69 2.95 -0.03 0.00 -0.54 -1.61 105.19 107.81 3h54 n GLY 29 Ca -0.16 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.24 3h54 n GLY 29 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3h54 s TRP 30 N -4.00 0.70 -0.07 1.61 -0.00 0.24 -0.86 118.94 116.56 3h54 s TRP 30 Ca 0.00 -0.16 0.03 0.00 -0.00 0.00 0.00 56.10 55.97 3h54 s TRP 30 Cb 0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 33.47 32.94 3h54 s TRP 30 CO 0.00 -0.09 -0.17 -1.17 -0.00 0.00 0.00 176.95 175.52 3h54 s LEU 31 N 0.31 1.86 0.45 5.86 0.20 0.16 0.00 118.68 127.53 3h54 s LEU 31 Ca -0.04 -0.39 0.17 0.00 0.69 0.00 0.00 54.13 54.56 3h54 s LEU 31 Cb -0.08 -1.03 1.05 0.00 -0.43 0.00 0.00 46.19 45.70 3h54 s LEU 31 CO 0.00 0.11 1.98 0.00 -0.29 0.00 0.00 176.35 178.15 3h54 h ALA 32 N 6.63 1.55 0.63 5.97 0.00 -1.71 -3.36 119.26 128.97 3h54 h ALA 32 Ca -0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3h54 h ALA 32 Cb 1.19 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.96 3h54 h ALA 32 CO 0.47 0.25 -0.30 2.35 0.00 0.00 0.00 179.25 182.03 3h54 h TRP 33 N 0.00 -0.78 -0.46 0.00 2.91 -1.88 -1.73 115.95 114.00 3h54 h TRP 33 Ca -0.00 -0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.08 3h54 h TRP 33 Cb 0.39 0.26 -0.07 0.00 -0.51 0.00 0.00 29.16 29.23 3h54 h TRP 33 CO 0.00 -0.45 0.07 1.49 -1.03 0.00 0.00 178.44 178.51 3h54 h GLU 34 N -0.95 0.19 0.19 2.65 4.22 -1.87 0.49 114.58 119.50 3h54 h GLU 34 Ca -0.09 -0.01 -0.32 0.00 0.08 0.00 0.00 59.36 59.02 3h54 h GLU 34 Cb 0.68 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.91 3h54 h GLU 34 CO 0.14 0.12 -1.47 -0.09 -2.18 0.00 0.00 179.01 175.53 3h54 h ARG 35 N 0.19 0.41 0.00 1.92 9.65 -1.67 -3.40 114.38 121.48 3h54 h ARG 35 Ca 0.23 -0.70 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 3h54 h ARG 35 Cb 0.31 0.26 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 3h54 h ARG 35 CO -0.32 1.32 -0.72 1.19 2.80 0.00 0.00 179.97 184.24 3h54 n PHE 36 N -3.61 0.00 -1.27 2.20 3.72 -0.65 -5.05 117.46 112.80 3h54 n PHE 36 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 3h54 n PHE 36 Cb 1.07 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.55 3h54 n PHE 36 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3h54 n ARG 37 N -1.39 0.00 -1.63 -1.08 5.12 0.17 -2.63 116.66 115.22 3h54 n ARG 37 Ca 0.01 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.61 3h54 n ARG 37 Cb 0.18 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.53 3h54 n ARG 37 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h54 s ASN 39 N -2.39 6.19 -0.00 0.00 2.47 -1.08 -4.83 114.94 115.30 3h54 s ASN 39 Ca 0.59 0.68 0.05 0.00 0.42 0.00 0.00 52.86 54.61 3h54 s ASN 39 Cb 0.47 -2.54 0.15 0.00 -1.45 0.00 0.00 41.25 37.88 3h54 s ASN 39 CO -0.03 -1.58 1.12 2.30 -3.72 0.00 0.00 177.10 175.20 3h54 n ILE 40 N 7.06 1.02 -2.70 -5.21 -5.35 -1.26 0.17 119.36 113.08 3h54 n ILE 40 Ca 0.16 -1.02 -0.43 0.00 -0.27 0.00 0.00 62.75 61.19 3h54 n ILE 40 Cb 0.48 0.49 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 3h54 n ILE 40 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3h54 n ASN 41 N -0.03 5.13 0.23 7.28 2.85 -1.26 -4.76 115.26 124.69 3h54 n ASN 41 Ca 0.06 -3.01 0.11 0.00 -0.11 0.00 0.00 54.58 51.63 3h54 n ASN 41 Cb 0.34 -1.55 0.44 0.00 1.24 0.00 0.00 39.78 40.24 3h54 n ASN 41 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3h54 h ASP 43 N 0.00 0.07 0.81 0.00 3.32 -1.98 -2.46 116.42 116.18 3h54 h ASP 43 Ca -0.00 -0.28 -0.19 0.00 0.02 0.00 0.00 57.03 56.58 3h54 h ASP 43 Cb 0.78 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 3h54 h ASP 43 CO 0.02 0.33 -1.30 -0.33 -1.72 0.00 0.00 179.24 176.25 3h54 h GLU 44 N -0.19 0.00 -1.93 3.56 5.08 -1.97 -3.41 114.58 115.72 3h54 h GLU 44 Ca 0.01 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.88 3h54 h GLU 44 Cb 0.29 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.14 3h54 h GLU 44 CO 0.00 0.45 -1.08 -3.47 -1.00 0.00 0.00 179.01 173.91 3h54 n ASP 45 N -3.03 1.74 0.32 1.42 -0.08 0.20 -4.96 116.55 112.17 3h54 n ASP 45 Ca -0.08 -3.13 0.20 0.00 -1.51 0.00 0.00 54.79 50.26 3h54 n ASP 45 Cb 0.89 -0.59 1.09 0.00 2.34 0.00 0.00 41.12 44.84 3h54 n ASP 45 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3h54 h PRO 46 N 2.98 0.00 0.00 -0.67 0.13 -1.60 -1.93 132.00 130.91 3h54 h PRO 46 Ca 0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.19 3h54 h PRO 46 Cb 0.90 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 3h54 h PRO 46 CO 0.57 0.01 -0.37 0.87 -0.23 0.00 0.00 178.00 178.85 3h54 h LYS 47 N 0.00 0.00 0.00 0.86 6.56 -1.93 -3.38 116.57 118.68 3h54 h LYS 47 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3h54 h LYS 47 Cb 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 3h54 h LYS 47 CO 0.00 0.11 0.00 0.09 -2.06 0.00 0.00 179.45 177.59 3h54 n ASN 48 N -3.03 0.25 -4.77 0.86 3.02 -0.86 -4.86 115.26 105.86 3h54 n ASN 48 Ca 0.02 -0.58 -0.33 0.00 -0.03 0.00 0.00 54.58 53.65 3h54 n ASN 48 Cb 0.59 0.44 0.04 0.00 -0.61 0.00 0.00 39.78 40.24 3h54 n ASN 48 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h54 s ILE 50 N -2.24 3.44 0.16 0.00 -1.09 0.13 -4.65 121.20 116.94 3h54 s ILE 50 Ca 0.68 0.41 -0.17 0.00 -2.23 0.00 0.00 60.65 59.33 3h54 s ILE 50 Cb -0.21 -3.72 0.04 0.00 -1.58 0.00 0.00 42.46 36.98 3h54 s ILE 50 CO 0.39 -0.55 0.47 -0.94 -1.23 0.00 0.00 174.94 173.08 3h54 s SER 51 N 6.76 -0.28 0.22 3.58 1.04 -1.26 -4.88 113.70 118.88 3h54 s SER 51 Ca 0.76 -0.34 -0.10 0.00 0.48 0.00 0.00 55.95 56.75 3h54 s SER 51 Cb -0.19 0.53 0.32 0.00 0.10 0.00 0.00 66.02 66.78 3h54 s SER 51 CO 0.30 -0.94 1.64 -0.08 0.98 0.00 0.00 173.24 175.14 3h54 h GLU 52 N 2.26 0.07 -0.57 4.02 4.81 -1.09 -1.78 114.58 122.29 3h54 h GLU 52 Ca -0.32 -0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.01 3h54 h GLU 52 Cb 1.27 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.55 3h54 h GLU 52 CO 0.42 0.04 0.11 0.37 -0.73 0.00 0.00 179.01 179.22 3h54 h GLN 53 N 0.07 0.23 -0.68 1.92 4.15 -1.95 -1.21 115.11 117.64 3h54 h GLN 53 Ca 0.35 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.75 3h54 h GLN 53 Cb 0.57 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.18 3h54 h GLN 53 CO -0.62 0.15 0.42 1.25 -1.93 0.00 0.00 178.83 178.10 3h54 h LEU 54 N 0.24 0.81 -0.34 -2.39 5.85 -1.60 -1.32 115.31 116.57 3h54 h LEU 54 Ca 0.30 -0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.78 3h54 h LEU 54 Cb 0.44 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3h54 h LEU 54 CO -0.40 0.63 -0.53 -0.26 -0.34 0.00 0.00 178.44 177.54 3h54 h PHE 55 N 0.93 1.06 -0.67 1.25 0.04 -1.12 -1.86 116.94 116.57 3h54 h PHE 55 Ca 0.25 -0.37 -0.05 0.00 2.80 0.00 0.00 57.97 60.60 3h54 h PHE 55 Cb -0.04 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 37.88 3h54 h PHE 55 CO -0.02 1.19 0.24 0.52 -0.60 0.00 0.00 178.31 179.65 3h54 h MET 56 N 0.66 1.02 -0.41 1.51 2.86 -1.06 -0.49 114.93 119.01 3h54 h MET 56 Ca 0.02 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.36 3h54 h MET 56 Cb 1.13 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 3h54 h MET 56 CO 0.12 0.87 -0.11 0.93 1.06 0.00 0.00 176.91 179.78 3h54 h GLU 57 N 0.96 0.80 -0.71 1.72 5.08 -1.16 0.50 114.58 121.78 3h54 h GLU 57 Ca 0.22 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3h54 h GLU 57 Cb 0.25 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3h54 h GLU 57 CO -0.01 0.93 0.31 0.52 -1.00 0.00 0.00 179.01 179.76 3h54 h MET 58 N 0.62 1.03 -0.74 2.33 2.86 -1.27 -1.84 114.93 117.92 3h54 h MET 58 Ca 0.10 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3h54 h MET 58 Cb 0.64 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 3h54 h MET 58 CO 0.04 0.83 0.41 0.00 1.06 0.00 0.00 176.91 179.26 3h54 h ALA 59 N 1.15 0.95 -0.80 6.32 0.00 -0.74 -0.52 119.26 125.62 3h54 h ALA 59 Ca 0.24 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3h54 h ALA 59 Cb 0.16 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3h54 h ALA 59 CO -0.03 0.45 0.53 -0.44 0.00 0.00 0.00 179.25 179.77 3h54 h ASP 60 N 1.02 0.92 -0.35 0.00 3.32 -0.68 -0.97 116.42 119.69 3h54 h ASP 60 Ca 0.26 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 3h54 h ASP 60 Cb 0.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3h54 h ASP 60 CO -0.04 0.67 0.10 0.03 -1.72 0.00 0.00 179.24 178.27 3h54 h ARG 61 N 1.09 0.55 -0.71 3.56 2.47 -0.79 0.23 114.38 120.77 3h54 h ARG 61 Ca 0.29 -0.12 0.01 0.00 -1.26 0.00 0.00 59.98 58.90 3h54 h ARG 61 Cb -0.12 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.08 3h54 h ARG 61 CO -0.06 0.58 0.47 0.52 0.56 0.00 0.00 179.97 182.04 3h54 h MET 62 N 0.41 0.92 -0.58 0.04 2.86 -0.89 0.16 114.93 117.85 3h54 h MET 62 Ca 0.11 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 3h54 h MET 62 Cb 0.27 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3h54 h MET 62 CO -0.00 0.61 0.02 0.00 1.06 0.00 0.00 176.91 178.60 3h54 h ALA 63 N 1.27 0.78 0.00 6.32 0.00 -0.98 -1.22 119.26 125.43 3h54 h ALA 63 Ca 0.27 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3h54 h ALA 63 Cb -0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3h54 h ALA 63 CO -0.07 0.60 -1.58 1.04 0.00 0.00 0.00 179.25 179.24 3h54 n GLN 64 N -4.24 0.64 -0.39 0.00 6.02 0.05 -4.47 117.38 114.98 3h54 n GLN 64 Ca 0.02 -0.04 0.08 0.00 -0.01 0.00 0.00 57.00 57.05 3h54 n GLN 64 Cb 0.32 -1.66 0.25 0.00 1.02 0.00 0.00 30.24 30.17 3h54 n GLN 64 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3h54 n ASP 65 N -2.47 3.78 0.00 1.08 8.00 0.53 -4.95 116.55 122.52 3h54 n ASP 65 Ca -0.04 -2.49 0.00 0.00 0.71 0.00 0.00 54.79 52.98 3h54 n ASP 65 Cb 0.59 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 3h54 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h54 n GLY 66 N 0.31 1.69 0.26 0.44 0.00 -1.26 -4.96 105.19 101.68 3h54 n GLY 66 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 3h54 n GLY 66 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3h54 h TRP 67 N 0.00 -0.59 -0.23 1.61 4.06 -1.79 -0.02 115.95 119.00 3h54 h TRP 67 Ca 0.00 -0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.00 3h54 h TRP 67 Cb 0.00 0.22 -0.05 0.00 -1.00 0.00 0.00 29.16 28.33 3h54 h TRP 67 CO 0.00 -0.34 -0.08 -0.09 -3.56 0.00 0.00 178.44 174.37 3h54 h ARG 68 N -0.51 -0.04 -0.76 0.49 2.43 -1.23 -1.37 114.38 113.40 3h54 h ARG 68 Ca -0.02 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.27 3h54 h ARG 68 Cb 0.45 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 3h54 h ARG 68 CO -0.01 -0.02 0.50 -0.44 -1.51 0.00 0.00 179.97 178.48 3h54 h ASP 69 N -0.04 0.54 1.07 -3.80 3.32 -1.69 0.52 116.42 116.34 3h54 h ASP 69 Ca 0.12 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3h54 h ASP 69 Cb 0.21 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3h54 h ASP 69 CO -0.26 0.31 -0.02 0.23 -1.72 0.00 0.00 179.24 177.79 3h54 n MET 70 N -4.50 0.05 0.00 3.56 2.81 -0.07 -4.91 117.12 114.06 3h54 n MET 70 Ca 0.13 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 3h54 n MET 70 Cb 0.40 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 3h54 n MET 70 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h54 n GLY 71 N 1.46 1.17 3.56 3.03 0.00 0.18 -5.02 105.19 109.58 3h54 n GLY 71 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3h54 n GLY 71 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h54 s TYR 72 N -2.00 2.04 -0.01 1.61 2.02 -0.58 -4.53 117.35 115.89 3h54 s TYR 72 Ca 0.00 0.47 0.05 0.00 -0.37 0.00 0.00 57.07 57.22 3h54 s TYR 72 Cb 0.00 -4.33 -0.08 0.00 -0.40 0.00 0.00 41.96 37.15 3h54 s TYR 72 CO 0.00 -2.17 0.10 0.25 -1.57 0.00 0.00 175.55 172.16 3h54 n THR 73 N 6.90 0.06 -3.25 -0.71 -2.24 -0.63 -3.38 114.28 111.03 3h54 n THR 73 Ca 0.14 -0.14 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 3h54 n THR 73 Cb 0.50 0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 3h54 n THR 73 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3h54 s TYR 74 N -2.34 3.48 -0.33 4.78 2.02 -0.84 -0.01 117.35 124.10 3h54 s TYR 74 Ca -0.02 0.91 -0.02 0.00 -0.37 0.00 0.00 57.07 57.57 3h54 s TYR 74 Cb 0.03 -2.63 0.06 0.00 -0.40 0.00 0.00 41.96 39.02 3h54 s TYR 74 CO 0.23 0.07 0.06 -1.17 -1.57 0.00 0.00 175.55 173.16 3h54 s LEU 75 N 0.98 4.29 -0.21 -1.29 2.96 0.23 0.79 118.68 126.42 3h54 s LEU 75 Ca 0.27 -1.47 -0.04 0.00 -0.22 0.00 0.00 54.13 52.67 3h54 s LEU 75 Cb -0.16 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 3h54 s LEU 75 CO 0.11 -0.34 -0.03 0.20 -1.32 0.00 0.00 176.35 174.97 3h54 s ASN 76 N 1.39 4.50 0.29 3.68 0.01 0.10 -1.00 114.94 123.91 3h54 s ASN 76 Ca -0.01 -0.31 -0.29 0.00 -0.71 0.00 0.00 52.86 51.54 3h54 s ASN 76 Cb -0.20 -1.77 -0.10 0.00 0.41 0.00 0.00 41.25 39.59 3h54 s ASN 76 CO -0.02 0.03 1.11 -0.63 -1.51 0.00 0.00 177.10 176.08 3h54 s ILE 77 N 1.20 3.44 0.00 0.60 1.01 0.31 -2.11 121.20 125.64 3h54 s ILE 77 Ca 0.03 1.42 0.00 0.00 0.00 0.00 0.00 60.65 62.10 3h54 s ILE 77 Cb -0.14 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.43 3h54 s ILE 77 CO -0.00 0.32 0.00 -0.67 0.00 0.00 0.00 174.94 174.59 3h54 n ASP 78 N 1.06 0.28 -4.58 3.58 -0.08 -1.26 -3.47 116.55 112.08 3h54 n ASP 78 Ca -0.01 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 3h54 n ASP 78 Cb 0.45 0.00 0.21 0.00 2.34 0.00 0.00 41.12 44.12 3h54 n ASP 78 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3h54 s ASP 79 N 0.32 1.93 -0.48 1.67 -1.08 -1.26 -4.09 116.67 113.67 3h54 s ASP 79 Ca 0.00 1.87 0.00 0.00 -0.52 0.00 0.00 52.55 53.90 3h54 s ASP 79 Cb 0.00 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 3h54 s ASP 79 CO 0.00 -3.67 0.00 0.00 0.52 0.00 0.00 175.17 172.02 3h54 n TRP 81 N -3.16 0.63 -2.39 0.00 4.27 -1.26 -4.94 117.44 110.59 3h54 n TRP 81 Ca -0.05 0.20 -0.41 0.00 -3.89 0.00 0.00 57.50 53.36 3h54 n TRP 81 Cb 0.26 -0.93 -0.04 0.00 -1.36 0.00 0.00 31.31 29.24 3h54 n TRP 81 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 3h54 s ILE 82 N -3.05 3.36 -0.24 -1.67 1.01 -1.26 -0.79 121.20 118.56 3h54 s ILE 82 Ca -0.05 1.32 0.07 0.00 0.00 0.00 0.00 60.65 61.99 3h54 s ILE 82 Cb 0.09 -3.84 -0.20 0.00 0.01 0.00 0.00 42.46 38.53 3h54 s ILE 82 CO 0.83 0.29 -0.13 0.61 0.00 0.00 0.00 174.94 176.55 3h54 n GLY 83 N 1.32 -0.57 0.00 6.18 0.00 0.21 -4.23 105.19 108.10 3h54 n GLY 83 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3h54 n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h54 n GLY 84 N 2.09 -1.03 3.37 -0.02 0.00 -1.11 -4.87 105.19 103.62 3h54 n GLY 84 Ca -0.42 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 3h54 n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h54 s ARG 85 N -1.96 1.96 0.38 1.61 0.52 -1.26 -0.68 118.95 119.51 3h54 s ARG 85 Ca 0.00 -1.03 -0.05 0.00 -0.52 0.00 0.00 55.73 54.13 3h54 s ARG 85 Cb 0.00 -2.06 0.08 0.00 0.52 0.00 0.00 34.95 33.49 3h54 s ARG 85 CO 0.00 0.53 0.51 -0.40 0.02 0.00 0.00 175.30 175.97 3h54 n ASP 86 N 1.86 0.18 0.24 0.23 5.68 -0.01 -4.82 116.55 119.91 3h54 n ASP 86 Ca -0.17 -1.27 0.16 0.00 -0.50 0.00 0.00 54.79 53.02 3h54 n ASP 86 Cb 0.52 -0.38 0.87 0.00 -1.14 0.00 0.00 41.12 40.99 3h54 n ASP 86 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h54 h ALA 87 N -1.54 1.68 -0.17 2.12 0.00 -2.01 0.13 119.26 119.47 3h54 h ALA 87 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3h54 h ALA 87 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3h54 h ALA 87 CO 0.13 -0.19 0.00 0.43 0.00 0.00 0.00 179.25 179.62 3h54 n SER 88 N -3.79 2.09 0.00 0.00 7.64 -1.26 -4.91 113.62 113.39 3h54 n SER 88 Ca -0.00 -1.75 0.00 0.00 1.01 0.00 0.00 58.87 58.13 3h54 n SER 88 Cb 0.24 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 3h54 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h54 n GLY 89 N 1.23 0.54 3.71 0.23 0.00 0.46 -5.01 105.19 106.35 3h54 n GLY 89 Ca 0.17 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3h54 n GLY 89 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h54 s ARG 90 N -0.23 4.48 0.34 1.61 3.52 -1.26 -4.68 118.95 122.75 3h54 s ARG 90 Ca 0.00 1.54 -0.29 0.00 -0.13 0.00 0.00 55.73 56.85 3h54 s ARG 90 Cb 0.00 -3.45 -0.11 0.00 -1.56 0.00 0.00 34.95 29.83 3h54 s ARG 90 CO 0.00 -0.18 1.46 -1.17 -0.81 0.00 0.00 175.30 174.60 3h54 s LEU 91 N 1.28 4.35 0.01 -0.88 2.96 -1.26 -0.83 118.68 124.32 3h54 s LEU 91 Ca 0.54 2.91 0.03 0.00 -0.22 0.00 0.00 54.13 57.40 3h54 s LEU 91 Cb -0.23 -3.65 -0.01 0.00 0.50 0.00 0.00 46.19 42.79 3h54 s LEU 91 CO 0.26 -0.79 -0.11 -0.04 -1.32 0.00 0.00 176.35 174.36 3h54 s MET 92 N -1.59 0.81 0.84 1.98 -1.94 0.14 -4.89 119.30 114.65 3h54 s MET 92 Ca 0.54 -0.52 -0.12 0.00 -1.71 0.00 0.00 55.69 53.89 3h54 s MET 92 Cb -0.45 -0.77 0.09 0.00 2.01 0.00 0.00 34.83 35.72 3h54 s MET 92 CO 0.56 0.20 1.12 -1.25 -0.01 0.00 0.00 175.02 175.65 3h54 s PRO 93 N -0.65 1.75 -0.00 2.03 0.04 -1.26 0.64 135.00 137.55 3h54 s PRO 93 Ca 0.02 0.43 -0.30 0.00 0.04 0.00 0.00 61.00 61.19 3h54 s PRO 93 Cb -0.06 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 3h54 s PRO 93 CO 0.00 -1.80 2.01 0.34 0.04 0.00 0.00 177.00 177.59 3h54 s ASP 94 N -4.06 6.30 0.45 6.66 -1.08 0.03 -3.70 116.67 121.27 3h54 s ASP 94 Ca 0.62 2.56 0.17 0.00 -0.52 0.00 0.00 52.55 55.38 3h54 s ASP 94 Cb -0.14 -2.53 1.06 0.00 -1.46 0.00 0.00 42.92 39.85 3h54 s ASP 94 CO 0.53 -1.19 1.98 1.55 0.52 0.00 0.00 175.17 178.56 3h54 h PRO 95 N 11.29 0.00 0.18 4.34 0.13 -1.92 0.24 132.00 146.25 3h54 h PRO 95 Ca -0.48 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.35 3h54 h PRO 95 Cb 1.24 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.40 3h54 h PRO 95 CO 0.94 0.20 -1.28 0.87 -0.23 0.00 0.00 178.00 178.50 3h54 h LYS 96 N 0.00 0.56 0.00 0.86 1.57 -1.95 -3.03 116.57 114.57 3h54 h LYS 96 Ca -0.00 -0.83 -0.09 0.00 -1.87 0.00 0.00 60.65 57.86 3h54 h LYS 96 Cb 0.38 0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3h54 h LYS 96 CO 0.03 1.39 -1.01 0.00 -0.57 0.00 0.00 179.45 179.28 3h54 h ARG 97 N 0.14 0.00 -2.15 3.15 3.08 -1.85 -3.37 114.38 113.39 3h54 h ARG 97 Ca -0.21 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.27 3h54 h ARG 97 Cb 1.97 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 31.61 3h54 h ARG 97 CO 0.24 0.19 -0.79 1.19 -1.07 0.00 0.00 179.97 179.73 3h54 n PHE 98 N -2.88 2.43 0.23 3.04 3.72 0.82 -0.41 117.46 124.40 3h54 n PHE 98 Ca -0.03 -3.95 0.07 0.00 -0.05 0.00 0.00 57.45 53.49 3h54 n PHE 98 Cb 0.70 -0.48 0.60 0.00 -0.94 0.00 0.00 39.48 39.36 3h54 n PHE 98 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3h54 h PRO 99 N 3.72 0.06 -0.00 -1.08 0.13 -1.71 -1.54 132.00 131.57 3h54 h PRO 99 Ca 0.14 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3h54 h PRO 99 Cb 0.71 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3h54 h PRO 99 CO 0.71 0.06 -0.40 0.72 -0.23 0.00 0.00 178.00 178.86 3h54 n HIS 100 N -4.51 0.00 0.00 1.56 8.25 -1.26 -5.02 115.22 114.24 3h54 n HIS 100 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3h54 n HIS 100 Cb 0.10 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.02 3h54 n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h54 n GLY 101 N 1.43 -1.59 0.21 -1.41 0.00 -0.58 -4.28 105.19 98.97 3h54 n GLY 101 Ca 0.08 -1.52 -0.16 0.00 0.00 0.00 0.00 46.02 44.42 3h54 n GLY 101 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3h54 h ILE 102 N 0.00 1.30 -0.92 -0.61 1.08 -1.97 -3.16 117.51 113.22 3h54 h ILE 102 Ca 0.00 -1.86 0.12 0.00 -0.39 0.00 0.00 64.86 62.73 3h54 h ILE 102 Cb 0.00 1.95 -0.08 0.00 -3.07 0.00 0.00 36.82 35.61 3h54 h ILE 102 CO 0.00 0.59 0.55 -0.65 -0.69 0.00 0.00 178.15 177.95 3h54 h PRO 103 N 0.46 0.85 -0.90 2.37 0.11 -1.85 0.20 132.00 133.24 3h54 h PRO 103 Ca -0.03 -0.05 0.12 0.00 0.11 0.00 0.00 66.00 66.15 3h54 h PRO 103 Cb 1.27 -0.19 -0.08 0.00 0.11 0.00 0.00 31.00 32.10 3h54 h PRO 103 CO 0.14 0.56 0.52 0.35 -0.21 0.00 0.00 178.00 179.36 3h54 h PHE 104 N 0.87 0.94 -0.06 0.65 3.57 -1.73 0.29 116.94 121.48 3h54 h PHE 104 Ca 0.46 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.80 3h54 h PHE 104 Cb 0.47 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 38.94 3h54 h PHE 104 CO -0.03 0.34 -0.70 1.25 -2.23 0.00 0.00 178.31 176.94 3h54 h LEU 105 N 0.82 0.71 -0.65 0.59 5.85 -0.92 -0.90 115.31 120.81 3h54 h LEU 105 Ca 0.46 -0.70 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 3h54 h LEU 105 Cb 0.51 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3h54 h LEU 105 CO -0.29 1.30 0.34 0.00 -0.34 0.00 0.00 178.44 179.46 3h54 h ALA 106 N 0.42 0.83 -0.62 1.25 0.00 -0.38 -0.76 119.26 120.00 3h54 h ALA 106 Ca -0.07 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3h54 h ALA 106 Cb 1.36 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3h54 h ALA 106 CO 0.14 0.36 0.07 -0.44 0.00 0.00 0.00 179.25 179.38 3h54 h ASP 107 N 0.88 1.00 -0.09 0.00 3.32 -0.43 0.48 116.42 121.58 3h54 h ASP 107 Ca 0.23 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3h54 h ASP 107 Cb 0.06 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 3h54 h ASP 107 CO -0.03 1.01 0.03 0.22 -1.72 0.00 0.00 179.24 178.75 3h54 h TYR 108 N 0.97 0.14 -0.49 4.55 3.20 -0.89 -1.62 116.97 122.83 3h54 h TYR 108 Ca 0.19 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 3h54 h TYR 108 Cb 0.46 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 3h54 h TYR 108 CO 0.03 0.28 0.05 0.28 -1.64 0.00 0.00 178.16 177.17 3h54 h VAL 109 N -0.05 1.25 -0.36 1.81 2.07 -1.03 -2.13 116.25 117.82 3h54 h VAL 109 Ca 0.03 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 3h54 h VAL 109 Cb 0.21 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3h54 h VAL 109 CO -0.00 0.35 0.12 0.45 0.02 0.00 0.00 177.57 178.51 3h54 h HIS 110 N 0.70 0.51 0.00 1.57 3.86 -0.89 -1.40 115.15 119.49 3h54 h HIS 110 Ca 0.14 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3h54 h HIS 110 Cb 0.44 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.75 3h54 h HIS 110 CO 0.03 0.42 0.00 0.66 0.86 0.00 0.00 177.93 179.90 3h54 h SER 111 N 0.51 0.00 -0.62 2.45 4.64 -0.61 -1.54 113.55 118.39 3h54 h SER 111 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3h54 h SER 111 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3h54 h SER 111 CO -0.01 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.13 3h54 n LEU 112 N -2.43 3.78 -0.39 5.97 4.77 -0.67 -4.94 117.00 123.08 3h54 n LEU 112 Ca 0.02 -1.84 -0.04 0.00 -0.03 0.00 0.00 56.01 54.11 3h54 n LEU 112 Cb 0.24 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.91 3h54 n LEU 112 CO 0.21 0.91 -0.05 0.61 -1.33 0.00 0.00 177.39 177.74 3h54 n GLY 113 N 1.57 0.45 3.79 -0.72 0.00 -0.58 -4.82 105.19 104.87 3h54 n GLY 113 Ca 0.23 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 3h54 n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h54 s LEU 114 N -1.06 2.77 0.08 0.99 1.43 -0.62 -4.99 118.68 117.28 3h54 s LEU 114 Ca 0.00 -1.29 0.08 0.00 -1.03 0.00 0.00 54.13 51.89 3h54 s LEU 114 Cb 0.00 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 3h54 s LEU 114 CO 0.00 -0.78 -0.22 -0.54 0.23 0.00 0.00 176.35 175.04 3h54 s LYS 115 N -3.99 1.26 -0.18 1.70 1.02 0.99 -3.72 119.74 116.81 3h54 s LYS 115 Ca 0.29 -1.10 -0.06 0.00 0.02 0.00 0.00 55.97 55.12 3h54 s LYS 115 Cb 0.02 -1.50 -0.03 0.00 -0.52 0.00 0.00 37.83 35.80 3h54 s LYS 115 CO 0.17 0.36 0.03 -1.17 -0.92 0.00 0.00 175.35 173.82 3h54 s LEU 116 N -1.65 3.54 0.11 3.17 2.96 -1.26 -0.60 118.68 124.95 3h54 s LEU 116 Ca 0.08 -0.05 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 3h54 s LEU 116 Cb -0.10 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 3h54 s LEU 116 CO 0.03 0.13 0.05 -0.83 -1.32 0.00 0.00 176.35 174.42 3h54 s GLY 117 N 0.60 1.89 0.30 7.98 0.00 -0.17 0.24 107.32 118.16 3h54 s GLY 117 Ca 0.01 -1.13 0.04 0.00 0.00 0.00 0.00 44.72 43.64 3h54 s GLY 117 CO 0.02 -1.12 0.18 -1.50 0.00 0.00 0.00 173.10 170.68 3h54 s ILE 118 N -1.47 0.24 -0.04 0.90 2.07 0.09 -0.53 121.20 122.46 3h54 s ILE 118 Ca 0.28 -2.00 0.02 0.00 -1.41 0.00 0.00 60.65 57.54 3h54 s ILE 118 Cb -0.11 -2.50 0.01 0.00 0.13 0.00 0.00 42.46 39.99 3h54 s ILE 118 CO 0.21 0.00 -0.08 -0.47 -1.91 0.00 0.00 174.94 172.68 3h54 s TYR 119 N -3.61 0.97 0.21 3.50 5.04 -1.23 -0.87 117.35 121.37 3h54 s TYR 119 Ca 0.36 -0.27 -0.00 0.00 -2.44 0.00 0.00 57.07 54.72 3h54 s TYR 119 Cb 0.04 -0.72 -0.04 0.00 0.35 0.00 0.00 41.96 41.59 3h54 s TYR 119 CO 0.19 -0.14 0.11 0.00 -1.34 0.00 0.00 175.55 174.37 3h54 s ALA 120 N 0.42 1.28 -0.10 3.97 0.00 -0.32 -4.92 121.76 122.08 3h54 s ALA 120 Ca -0.07 -1.72 0.01 0.00 0.00 0.00 0.00 51.96 50.18 3h54 s ALA 120 Cb -0.11 1.24 0.02 0.00 0.00 0.00 0.00 23.12 24.27 3h54 s ALA 120 CO 0.01 -0.54 -0.11 0.34 0.00 0.00 0.00 175.76 175.46 3h54 s ASP 121 N -3.19 2.19 -1.08 0.00 -1.08 -1.26 -0.61 116.67 111.64 3h54 s ASP 121 Ca 0.37 -0.35 -0.22 0.00 -0.52 0.00 0.00 52.55 51.83 3h54 s ASP 121 Cb 0.07 -0.93 -0.00 0.00 -1.46 0.00 0.00 42.92 40.60 3h54 s ASP 121 CO 0.11 -0.05 1.76 -0.32 0.52 0.00 0.00 175.17 177.20 3h54 s MET 122 N 1.28 3.12 0.00 4.34 -2.45 0.39 0.54 119.30 126.52 3h54 s MET 122 Ca -0.02 -1.06 0.00 0.00 -1.25 0.00 0.00 55.69 53.36 3h54 s MET 122 Cb -0.14 -5.28 0.00 0.00 1.25 0.00 0.00 34.83 30.66 3h54 s MET 122 CO -0.04 -2.95 0.00 0.41 1.05 0.00 0.00 175.02 173.48 3h54 n GLY 123 N 6.35 -2.09 0.31 2.11 0.00 -1.15 -4.48 105.19 106.25 3h54 n GLY 123 Ca 0.41 -1.20 -0.07 0.00 0.00 0.00 0.00 46.02 45.16 3h54 n GLY 123 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h54 h ASN 124 N 0.00 1.00 -5.29 1.61 2.35 -1.43 -2.94 115.58 110.88 3h54 h ASN 124 Ca 0.00 -0.23 -0.14 0.00 -0.55 0.00 0.00 56.30 55.38 3h54 h ASN 124 Cb 0.00 -0.26 -0.15 0.00 0.05 0.00 0.00 38.32 37.96 3h54 h ASN 124 CO 0.00 0.99 -0.66 -0.36 -1.65 0.00 0.00 177.43 175.75 3h54 s PHE 125 N -5.20 0.61 0.95 1.19 0.40 -1.26 -1.07 117.98 113.60 3h54 s PHE 125 Ca -0.11 -1.11 -0.12 0.00 -0.60 0.00 0.00 56.93 54.99 3h54 s PHE 125 Cb 0.15 -0.41 0.16 0.00 0.51 0.00 0.00 43.02 43.43 3h54 s PHE 125 CO 0.84 -0.42 1.10 0.95 0.70 0.00 0.00 175.22 178.39 3h54 s THR 126 N -3.96 2.24 0.56 0.64 -4.23 0.97 -4.48 115.64 107.39 3h54 s THR 126 Ca 0.12 0.08 0.25 0.00 -1.18 0.00 0.00 61.69 60.96 3h54 s THR 126 Cb 0.08 -2.64 0.34 0.00 1.34 0.00 0.00 72.50 71.62 3h54 s THR 126 CO -0.07 -0.10 2.14 0.00 -0.54 0.00 0.00 174.62 176.05 3h54 n MET 128 N -4.07 2.79 -0.63 0.00 2.81 -1.26 -4.94 117.12 111.82 3h54 n MET 128 Ca 0.00 -2.23 0.00 0.00 -1.81 0.00 0.00 57.70 53.66 3h54 n MET 128 Cb 0.24 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 3h54 n MET 128 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h54 n GLY 129 N 1.23 0.69 3.87 3.03 0.00 0.32 -5.03 105.19 109.29 3h54 n GLY 129 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3h54 n GLY 129 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h54 s TYR 130 N -2.04 3.50 0.12 1.61 2.02 -1.26 -4.70 117.35 116.60 3h54 s TYR 130 Ca 0.00 1.26 -0.35 0.00 -0.37 0.00 0.00 57.07 57.61 3h54 s TYR 130 Cb 0.00 -2.81 -0.15 0.00 -0.40 0.00 0.00 41.96 38.60 3h54 s TYR 130 CO 0.00 -0.86 1.44 -2.30 -1.57 0.00 0.00 175.55 172.26 3h54 n PRO 131 N -2.85 1.59 -2.69 -1.71 -0.02 -1.26 -0.02 135.00 128.04 3h54 n PRO 131 Ca 0.06 0.57 -0.26 0.00 -2.02 0.00 0.00 63.50 61.86 3h54 n PRO 131 Cb 0.55 -2.27 0.01 0.00 -0.02 0.00 0.00 33.50 31.76 3h54 n PRO 131 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3h54 s GLY 132 N 0.65 1.52 -1.00 -1.23 0.00 -0.23 -4.37 107.32 102.66 3h54 s GLY 132 Ca 0.82 -0.66 -0.12 0.00 0.00 0.00 0.00 44.72 44.75 3h54 s GLY 132 CO 0.43 -0.48 1.02 -1.59 0.00 0.00 0.00 173.10 172.49 3h54 s THR 133 N -2.74 5.62 0.99 0.90 2.01 0.19 -4.86 115.64 117.75 3h54 s THR 133 Ca 0.48 -2.79 -0.12 0.00 0.31 0.00 0.00 61.69 59.58 3h54 s THR 133 Cb -0.10 -4.61 0.18 0.00 0.01 0.00 0.00 72.50 67.98 3h54 s THR 133 CO 0.43 -1.21 1.09 0.42 -0.69 0.00 0.00 174.62 174.66 3h54 s THR 134 N 0.01 2.15 0.29 -0.82 -4.23 -1.20 -2.93 115.64 108.91 3h54 s THR 134 Ca 0.28 0.05 0.03 0.00 -1.18 0.00 0.00 61.69 60.86 3h54 s THR 134 Cb -0.09 -2.52 0.28 0.00 1.34 0.00 0.00 72.50 71.51 3h54 s THR 134 CO -0.08 -0.06 1.78 -0.07 -0.54 0.00 0.00 174.62 175.65 3h54 h LEU 135 N -1.88 0.74 0.00 4.79 3.38 -1.94 0.76 115.31 121.16 3h54 h LEU 135 Ca -0.54 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3h54 h LEU 135 Cb 1.32 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3h54 h LEU 135 CO 0.57 0.31 0.00 -0.90 0.09 0.00 0.00 178.44 178.50 3h54 n ASP 136 N -4.77 0.00 -0.05 -0.43 5.75 -1.26 -3.01 116.55 112.77 3h54 n ASP 136 Ca 0.20 -0.45 0.04 0.00 -0.01 0.00 0.00 54.79 54.57 3h54 n ASP 136 Cb 0.48 -0.13 -0.04 0.00 -1.03 0.00 0.00 41.12 40.40 3h54 n ASP 136 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3h54 n LYS 137 N -1.13 3.63 0.03 0.11 4.76 0.22 -4.75 118.16 121.03 3h54 n LYS 137 Ca 0.16 -0.14 -0.10 0.00 -2.87 0.00 0.00 58.31 55.35 3h54 n LYS 137 Cb 0.14 -0.95 -0.04 0.00 -1.84 0.00 0.00 35.03 32.34 3h54 n LYS 137 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3h54 h VAL 138 N 0.26 0.43 0.00 -0.18 2.07 -1.36 -0.01 116.25 117.46 3h54 h VAL 138 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3h54 h VAL 138 Cb 0.23 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3h54 h VAL 138 CO 0.00 0.00 -0.00 0.58 0.02 0.00 0.00 177.57 178.17 3h54 h VAL 139 N -0.34 1.13 -0.41 2.57 2.07 -1.85 -1.72 116.25 117.70 3h54 h VAL 139 Ca 0.08 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 67.30 3h54 h VAL 139 Cb 0.46 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 3h54 h VAL 139 CO -0.26 0.10 0.06 -0.61 0.02 0.00 0.00 177.57 176.88 3h54 h GLN 140 N -0.16 0.18 -0.59 1.57 4.15 -1.81 -0.74 115.11 117.71 3h54 h GLN 140 Ca -0.00 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 3h54 h GLN 140 Cb 0.16 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 3h54 h GLN 140 CO 0.00 0.12 0.02 -0.44 -1.93 0.00 0.00 178.83 176.60 3h54 h ASP 141 N 0.19 1.00 -0.32 -0.69 3.45 -0.93 0.48 116.42 119.59 3h54 h ASP 141 Ca 0.20 -0.30 0.05 0.00 0.43 0.00 0.00 57.03 57.41 3h54 h ASP 141 Cb 0.25 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 38.72 3h54 h ASP 141 CO -0.28 1.05 0.07 0.00 -1.57 0.00 0.00 179.24 178.51 3h54 h ALA 142 N 0.98 0.35 -0.72 3.45 0.00 -0.98 0.61 119.26 122.95 3h54 h ALA 142 Ca 0.17 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3h54 h ALA 142 Cb 0.52 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3h54 h ALA 142 CO 0.03 -0.33 0.28 1.96 0.00 0.00 0.00 179.25 181.18 3h54 h GLN 143 N 0.19 1.08 -0.25 0.00 4.20 -0.79 -1.36 115.11 118.17 3h54 h GLN 143 Ca 0.15 -0.20 0.02 0.00 0.06 0.00 0.00 58.65 58.68 3h54 h GLN 143 Cb 0.16 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 3h54 h GLN 143 CO -0.19 0.90 0.10 1.15 -0.67 0.00 0.00 178.83 180.11 3h54 h THR 144 N 1.03 0.95 -0.69 -0.54 2.02 -0.50 0.11 112.91 115.29 3h54 h THR 144 Ca 0.24 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 3h54 h THR 144 Cb 0.23 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 3h54 h THR 144 CO -0.02 0.04 0.36 -0.26 0.37 0.00 0.00 175.52 176.01 3h54 h PHE 145 N 0.22 0.97 -0.56 3.16 0.04 -0.57 0.12 116.94 120.32 3h54 h PHE 145 Ca 0.11 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.79 3h54 h PHE 145 Cb 0.07 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 37.89 3h54 h PHE 145 CO -0.12 0.70 0.12 0.00 -0.60 0.00 0.00 178.31 178.41 3h54 h ALA 146 N 1.18 0.74 -0.76 2.45 0.00 -1.10 -1.28 119.26 120.49 3h54 h ALA 146 Ca 0.24 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3h54 h ALA 146 Cb 0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3h54 h ALA 146 CO -0.04 0.46 0.36 0.93 0.00 0.00 0.00 179.25 180.96 3h54 h GLU 147 N 0.80 1.09 0.00 0.00 5.08 -0.54 -1.28 114.58 119.74 3h54 h GLU 147 Ca 0.17 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3h54 h GLU 147 Cb 0.37 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3h54 h GLU 147 CO 0.01 0.84 0.00 -1.49 -1.00 0.00 0.00 179.01 177.37 3h54 h TRP 148 N 1.08 0.00 -1.60 4.33 6.55 -0.43 -3.47 115.95 122.41 3h54 h TRP 148 Ca 0.26 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.95 3h54 h TRP 148 Cb 0.11 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 28.43 3h54 h TRP 148 CO 0.01 0.00 -0.21 1.63 -1.05 0.00 0.00 178.44 178.82 3h54 n LYS 149 N -2.42 -1.32 -1.85 0.49 5.02 -0.48 -4.41 118.16 113.19 3h54 n LYS 149 Ca 0.02 0.34 -0.38 0.00 -2.02 0.00 0.00 58.31 56.27 3h54 n LYS 149 Cb 0.23 -4.10 0.04 0.00 -0.02 0.00 0.00 35.03 31.18 3h54 n LYS 149 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3h54 s VAL 150 N -2.61 2.23 -0.31 -0.18 1.01 -0.58 -4.79 120.40 115.18 3h54 s VAL 150 Ca 0.07 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.30 3h54 s VAL 150 Cb -0.03 -3.08 -0.10 0.00 0.00 0.00 0.00 36.38 33.17 3h54 s VAL 150 CO 0.08 -0.01 0.32 0.47 0.00 0.00 0.00 175.10 175.96 3h54 n ASP 151 N -1.25 1.01 -3.65 3.32 8.00 0.14 -4.78 116.55 119.34 3h54 n ASP 151 Ca 0.12 -0.53 -0.15 0.00 0.71 0.00 0.00 54.79 54.94 3h54 n ASP 151 Cb 0.47 1.09 -0.08 0.00 -0.02 0.00 0.00 41.12 42.58 3h54 n ASP 151 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3h54 s MET 152 N -1.99 0.77 -0.07 -1.24 1.75 -1.04 -0.82 119.30 116.67 3h54 s MET 152 Ca 0.02 0.47 0.01 0.00 -1.25 0.00 0.00 55.69 54.94 3h54 s MET 152 Cb 0.06 0.37 0.02 0.00 2.84 0.00 0.00 34.83 38.11 3h54 s MET 152 CO 0.35 -0.16 -0.09 -1.17 -0.65 0.00 0.00 175.02 173.30 3h54 s LEU 153 N -0.39 1.46 -0.36 4.11 2.96 0.67 -0.73 118.68 126.40 3h54 s LEU 153 Ca -0.05 -0.24 -0.14 0.00 -0.22 0.00 0.00 54.13 53.47 3h54 s LEU 153 Cb -0.03 -0.70 -0.01 0.00 0.50 0.00 0.00 46.19 45.95 3h54 s LEU 153 CO 0.04 -0.02 0.30 -0.75 -1.32 0.00 0.00 176.35 174.60 3h54 s LYS 154 N 0.91 3.42 -0.45 1.98 2.20 -0.05 -0.01 119.74 127.74 3h54 s LYS 154 Ca -0.10 -0.63 -0.12 0.00 -0.36 0.00 0.00 55.97 54.76 3h54 s LYS 154 Cb -0.15 -3.84 0.08 0.00 -1.51 0.00 0.00 37.83 32.41 3h54 s LYS 154 CO 0.01 -0.54 0.34 -1.17 -0.36 0.00 0.00 175.35 173.63 3h54 s LEU 155 N 1.85 5.47 0.91 5.43 2.96 0.30 -1.17 118.68 134.42 3h54 s LEU 155 Ca 0.08 -1.48 -0.13 0.00 -0.22 0.00 0.00 54.13 52.38 3h54 s LEU 155 Cb -0.17 -2.09 0.14 0.00 0.50 0.00 0.00 46.19 44.57 3h54 s LEU 155 CO 0.11 -0.62 1.17 -0.62 -1.32 0.00 0.00 176.35 175.07 3h54 s ASP 156 N 2.47 3.52 -0.05 3.68 -1.08 0.22 -1.75 116.67 123.69 3h54 s ASP 156 Ca 0.04 0.80 0.07 0.00 -0.52 0.00 0.00 52.55 52.94 3h54 s ASP 156 Cb -0.24 -1.27 0.11 0.00 -1.46 0.00 0.00 42.92 40.06 3h54 s ASP 156 CO 0.04 -2.53 1.03 0.61 0.52 0.00 0.00 175.17 174.84 3h54 n GLY 157 N -2.60 2.00 3.72 2.66 0.00 -1.26 -0.46 105.19 109.24 3h54 n GLY 157 Ca 0.08 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 3h54 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h54 n PHE 159 N -3.59 -1.72 -4.18 0.00 3.01 -1.26 -4.18 117.46 105.53 3h54 n PHE 159 Ca 0.11 0.78 -0.11 0.00 1.01 0.00 0.00 57.45 59.24 3h54 n PHE 159 Cb 0.52 -3.28 -0.10 0.00 -0.01 0.00 0.00 39.48 36.61 3h54 n PHE 159 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3h54 s SER 160 N -3.73 0.89 0.42 4.37 1.04 -1.25 -1.39 113.70 114.05 3h54 s SER 160 Ca 0.44 -1.12 -0.01 0.00 0.48 0.00 0.00 55.95 55.74 3h54 s SER 160 Cb -0.24 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 3h54 s SER 160 CO 0.91 -0.59 0.66 0.42 0.98 0.00 0.00 173.24 175.63 3h54 s THR 161 N -3.77 4.65 0.24 2.02 -4.23 -1.26 -4.98 115.64 108.32 3h54 s THR 161 Ca 0.19 -0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.37 3h54 s THR 161 Cb 0.06 -3.73 0.22 0.00 1.34 0.00 0.00 72.50 70.39 3h54 s THR 161 CO -0.00 -0.56 1.84 -0.65 -0.54 0.00 0.00 174.62 174.70 3h54 h PRO 162 N 0.46 0.90 -0.16 3.99 0.11 -1.99 -2.27 132.00 133.05 3h54 h PRO 162 Ca -0.48 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 3h54 h PRO 162 Cb 1.23 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3h54 h PRO 162 CO 0.60 0.60 -0.23 1.05 -0.21 0.00 0.00 178.00 179.81 3h54 h GLU 163 N 0.93 0.29 -0.48 1.05 9.09 -1.99 -1.42 114.58 122.05 3h54 h GLU 163 Ca 0.39 -0.09 -0.06 0.00 0.05 0.00 0.00 59.36 59.64 3h54 h GLU 163 Cb 0.24 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.30 3h54 h GLU 163 CO -0.20 0.51 0.05 0.93 0.05 0.00 0.00 179.01 180.35 3h54 h GLU 164 N 0.26 0.81 -0.69 1.06 5.08 -1.86 -2.12 114.58 117.13 3h54 h GLU 164 Ca 0.04 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 3h54 h GLU 164 Cb 0.56 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 3h54 h GLU 164 CO 0.04 0.84 0.14 0.00 -1.00 0.00 0.00 179.01 179.02 3h54 h ARG 165 N 0.67 1.11 -0.04 2.33 3.08 -1.20 0.40 114.38 120.74 3h54 h ARG 165 Ca 0.14 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 3h54 h ARG 165 Cb 0.44 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3h54 h ARG 165 CO 0.02 1.00 -0.26 0.00 -1.07 0.00 0.00 179.97 179.65 3h54 h ALA 166 N 1.09 1.50 0.19 0.04 0.00 -1.11 -1.55 119.26 119.42 3h54 h ALA 166 Ca 0.21 -0.26 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 3h54 h ALA 166 Cb 0.40 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.15 3h54 h ALA 166 CO 0.01 0.37 -1.66 1.96 0.00 0.00 0.00 179.25 179.92 3h54 h GLN 167 N 0.06 0.40 -0.23 0.00 4.20 -1.22 -3.40 115.11 114.92 3h54 h GLN 167 Ca 0.01 -0.68 -0.13 0.00 0.06 0.00 0.00 58.65 57.91 3h54 h GLN 167 Cb 0.50 0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 3h54 h GLN 167 CO 0.04 1.33 -0.37 0.78 -0.67 0.00 0.00 178.83 179.94 3h54 h GLY 168 N 0.50 0.71 0.72 3.46 0.00 0.17 -2.21 103.07 106.42 3h54 h GLY 168 Ca -0.33 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.19 3h54 h GLY 168 CO 0.18 0.72 0.00 -0.97 0.00 0.00 0.00 176.54 176.47 3h54 h TYR 169 N 0.35 0.07 -0.62 5.60 0.05 -1.52 -0.27 116.97 120.63 3h54 h TYR 169 Ca 0.02 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3h54 h TYR 169 Cb 0.96 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.65 3h54 h TYR 169 CO 0.08 0.35 0.39 -1.35 -1.05 0.00 0.00 178.16 176.58 3h54 h PRO 170 N -0.22 0.83 -0.58 4.88 0.11 -1.77 -2.15 132.00 133.10 3h54 h PRO 170 Ca 0.01 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3h54 h PRO 170 Cb 0.32 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.22 3h54 h PRO 170 CO 0.00 0.57 0.30 -0.22 -0.21 0.00 0.00 178.00 178.44 3h54 h LYS 171 N 0.85 0.82 -0.31 1.05 3.64 -1.20 -2.07 116.57 119.35 3h54 h LYS 171 Ca 0.23 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 3h54 h LYS 171 Cb -0.06 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 3h54 h LYS 171 CO -0.05 0.65 -0.09 1.98 -2.27 0.00 0.00 179.45 179.67 3h54 h MET 172 N 0.79 0.62 -0.54 1.90 4.05 -0.78 -0.13 114.93 120.83 3h54 h MET 172 Ca 0.20 -0.25 0.07 0.00 -0.28 0.00 0.00 59.70 59.44 3h54 h MET 172 Cb 0.08 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 30.79 3h54 h MET 172 CO -0.03 0.81 0.22 0.00 0.23 0.00 0.00 176.91 178.15 3h54 h ALA 173 N 0.79 0.69 -0.46 0.39 0.00 -1.31 0.16 119.26 119.51 3h54 h ALA 173 Ca 0.08 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3h54 h ALA 173 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3h54 h ALA 173 CO 0.03 -0.16 0.14 0.00 0.00 0.00 0.00 179.25 179.27 3h54 h ALA 174 N 1.34 0.61 -0.34 0.00 0.00 -1.22 -2.03 119.26 117.62 3h54 h ALA 174 Ca 0.26 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3h54 h ALA 174 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3h54 h ALA 174 CO -0.23 0.26 -0.28 0.00 0.00 0.00 0.00 179.25 179.00 3h54 h ALA 175 N 1.00 0.88 -0.41 0.00 0.00 -0.46 -0.95 119.26 119.32 3h54 h ALA 175 Ca 0.15 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3h54 h ALA 175 Cb 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3h54 h ALA 175 CO -0.00 0.63 0.12 -0.07 0.00 0.00 0.00 179.25 179.93 3h54 h LEU 176 N 0.60 0.61 -0.37 0.00 3.38 -0.66 -3.04 115.31 115.82 3h54 h LEU 176 Ca 0.08 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.87 3h54 h LEU 176 Cb 0.78 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 3h54 h LEU 176 CO 0.06 0.66 0.15 -1.13 0.09 0.00 0.00 178.44 178.27 3h54 h ASN 177 N 0.53 0.19 -0.03 -0.43 -0.73 -1.03 -2.43 115.58 111.65 3h54 h ASN 177 Ca 0.13 0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.34 3h54 h ASN 177 Cb 0.27 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.86 3h54 h ASN 177 CO -0.00 0.15 0.05 0.00 -0.37 0.00 0.00 177.43 177.25 3h54 h ALA 178 N 1.22 1.37 0.00 1.57 0.00 -1.10 -1.43 119.26 120.88 3h54 h ALA 178 Ca 0.16 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3h54 h ALA 178 Cb 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3h54 h ALA 178 CO -0.14 -0.06 -0.14 1.79 0.00 0.00 0.00 179.25 180.69 3h54 h THR 179 N 0.00 0.43 0.00 0.00 1.35 -1.33 -3.46 112.91 109.90 3h54 h THR 179 Ca 0.01 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 3h54 h THR 179 Cb 0.11 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 3h54 h THR 179 CO -0.00 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 3h54 n GLY 180 N -0.16 2.38 3.70 5.82 0.00 -0.54 -5.01 105.19 111.38 3h54 n GLY 180 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3h54 n GLY 180 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h54 s ARG 181 N -0.12 4.33 -0.15 1.61 3.52 -1.26 -5.02 118.95 121.86 3h54 s ARG 181 Ca 0.00 0.64 -0.29 0.00 -0.13 0.00 0.00 55.73 55.95 3h54 s ARG 181 Cb 0.00 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.85 3h54 s ARG 181 CO 0.00 -0.00 1.84 -2.14 -0.81 0.00 0.00 175.30 174.19 3h54 s PRO 182 N 1.10 3.75 -0.19 5.12 0.02 -1.26 -4.76 135.00 138.78 3h54 s PRO 182 Ca 0.30 2.01 -0.00 0.00 0.02 0.00 0.00 61.00 63.33 3h54 s PRO 182 Cb -0.16 -4.14 0.05 0.00 0.02 0.00 0.00 34.50 30.27 3h54 s PRO 182 CO 0.13 -1.37 -0.04 0.42 -0.33 0.00 0.00 177.00 175.81 3h54 s ILE 183 N 5.66 1.15 0.28 2.83 1.01 -1.26 -4.77 121.20 126.10 3h54 s ILE 183 Ca 0.82 -0.80 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 3h54 s ILE 183 Cb -0.32 -1.40 -0.12 0.00 0.01 0.00 0.00 42.46 40.63 3h54 s ILE 183 CO 0.34 0.01 1.61 0.00 0.00 0.00 0.00 174.94 176.89 3h54 n ALA 184 N 4.84 2.56 -3.90 9.38 0.00 -0.00 -4.80 120.51 128.58 3h54 n ALA 184 Ca -0.11 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.37 3h54 n ALA 184 Cb 0.46 -2.47 -0.15 0.00 0.00 0.00 0.00 19.45 17.30 3h54 n ALA 184 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3h54 s PHE 185 N 0.12 3.23 -0.31 0.00 5.36 -1.26 -0.24 117.98 124.89 3h54 s PHE 185 Ca 0.65 -2.09 -0.11 0.00 -0.96 0.00 0.00 56.93 54.42 3h54 s PHE 185 Cb -0.50 -2.00 -0.03 0.00 -0.34 0.00 0.00 43.02 40.15 3h54 s PHE 185 CO 0.47 -0.84 0.20 0.45 -1.46 0.00 0.00 175.22 174.03 3h54 s SER 186 N 1.18 5.92 -0.23 6.13 0.15 0.98 -1.10 113.70 126.73 3h54 s SER 186 Ca -0.07 -0.25 -0.04 0.00 0.70 0.00 0.00 55.95 56.29 3h54 s SER 186 Cb -0.19 -2.10 -0.01 0.00 -1.71 0.00 0.00 66.02 62.01 3h54 s SER 186 CO -0.04 -0.14 -0.02 0.00 1.20 0.00 0.00 173.24 174.24 3h54 n SER 188 N 4.81 0.61 -0.36 0.00 7.64 -0.72 -1.34 113.62 124.27 3h54 n SER 188 Ca -0.18 -0.76 -0.08 0.00 1.01 0.00 0.00 58.87 58.86 3h54 n SER 188 Cb 0.51 -0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.61 3h54 n SER 188 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 3h54 n TRP 189 N -0.79 -0.30 0.04 1.43 -0.00 -1.26 -1.29 117.44 115.27 3h54 n TRP 189 Ca 0.16 1.09 0.07 0.00 -0.00 0.00 0.00 57.50 58.81 3h54 n TRP 189 Cb 0.28 -0.62 0.50 0.00 -0.00 0.00 0.00 31.31 31.46 3h54 n TRP 189 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 3h54 h PRO 190 N 0.00 0.37 0.00 5.87 0.13 -1.80 -1.86 132.00 134.71 3h54 h PRO 190 Ca 0.17 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3h54 h PRO 190 Cb 0.39 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.44 3h54 h PRO 190 CO -0.83 0.24 -0.01 0.00 -0.23 0.00 0.00 178.00 177.18 3h54 h ALA 191 N 1.79 1.55 -0.00 -0.56 0.00 -0.55 0.04 119.26 121.53 3h54 h ALA 191 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3h54 h ALA 191 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3h54 h ALA 191 CO -0.03 0.01 -0.33 0.66 0.00 0.00 0.00 179.25 179.55 3h54 n TYR 192 N -3.89 0.00 -0.55 0.00 4.01 -0.70 -4.01 117.16 112.01 3h54 n TYR 192 Ca -0.03 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.77 3h54 n TYR 192 Cb 0.09 -0.26 0.14 0.00 -0.31 0.00 0.00 39.34 39.00 3h54 n TYR 192 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3h54 n GLU 193 N -1.29 2.56 -0.52 -0.72 -0.58 -0.14 -4.96 120.64 114.98 3h54 n GLU 193 Ca 0.08 -2.25 0.00 0.00 -0.42 0.00 0.00 57.16 54.57 3h54 n GLU 193 Cb 0.33 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 3h54 n GLU 193 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h54 n GLY 194 N -0.45 1.29 3.00 0.62 0.00 -1.07 -4.38 105.19 104.20 3h54 n GLY 194 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3h54 n GLY 194 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h54 n GLY 195 N -2.00 0.48 3.24 -0.02 0.00 -0.36 -4.97 105.19 101.56 3h54 n GLY 195 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3h54 n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h54 s LEU 196 N 0.00 2.44 0.70 0.99 1.43 -1.26 -4.91 118.68 118.07 3h54 s LEU 196 Ca 0.00 -0.87 -0.16 0.00 -1.03 0.00 0.00 54.13 52.07 3h54 s LEU 196 Cb 0.00 -0.46 0.02 0.00 0.03 0.00 0.00 46.19 45.79 3h54 s LEU 196 CO 0.00 -0.22 1.24 -2.84 0.23 0.00 0.00 176.35 174.77 3h54 s PRO 197 N -3.01 2.25 0.14 1.29 0.02 -1.24 -1.25 135.00 133.21 3h54 s PRO 197 Ca 0.11 1.88 0.27 0.00 0.02 0.00 0.00 61.00 63.28 3h54 s PRO 197 Cb -0.02 -1.83 0.94 0.00 0.02 0.00 0.00 34.50 33.61 3h54 s PRO 197 CO 0.02 -1.78 1.82 -0.35 -0.33 0.00 0.00 177.00 176.38 3h54 n PRO 198 N -2.44 0.18 0.05 5.54 -0.04 -1.26 -4.81 135.00 132.22 3h54 n PRO 198 Ca 0.14 0.15 -0.09 0.00 -0.04 0.00 0.00 63.50 63.66 3h54 n PRO 198 Cb 0.49 -1.71 0.03 0.00 -0.04 0.00 0.00 33.50 32.28 3h54 n PRO 198 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h54 h ARG 199 N 0.00 0.39 -5.15 0.54 3.08 -1.82 -3.41 114.38 108.00 3h54 h ARG 199 Ca 0.00 -0.31 -0.62 0.00 0.07 0.00 0.00 59.98 59.12 3h54 h ARG 199 Cb 0.65 0.06 -0.14 0.00 0.08 0.00 0.00 29.97 30.63 3h54 h ARG 199 CO 0.00 0.95 -0.42 0.08 -1.07 0.00 0.00 179.97 179.51 3h54 s VAL 200 N -3.62 5.31 -0.45 2.04 1.01 -0.38 -5.02 120.40 119.30 3h54 s VAL 200 Ca -0.05 0.32 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 3h54 s VAL 200 Cb 0.11 -3.57 0.09 0.00 0.00 0.00 0.00 36.38 33.01 3h54 s VAL 200 CO 0.84 0.31 0.32 -1.10 0.00 0.00 0.00 175.10 175.46 3h54 s GLN 201 N 1.22 2.69 0.36 2.72 -0.21 -1.26 -3.62 119.66 121.56 3h54 s GLN 201 Ca 0.11 -1.50 0.18 0.00 0.02 0.00 0.00 55.36 54.17 3h54 s GLN 201 Cb -0.14 -3.91 0.57 0.00 1.00 0.00 0.00 33.01 30.53 3h54 s GLN 201 CO 0.06 -1.03 1.68 1.88 -2.12 0.00 0.00 175.29 175.76 3h54 h TYR 202 N 8.52 0.00 -0.46 0.91 0.05 -1.98 -1.90 116.97 122.11 3h54 h TYR 202 Ca -0.24 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.44 3h54 h TYR 202 Cb 1.09 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.81 3h54 h TYR 202 CO 0.63 0.40 -0.10 0.66 -1.05 0.00 0.00 178.16 178.70 3h54 h SER 203 N 0.00 0.89 0.32 3.88 4.64 -1.97 -1.30 113.55 120.01 3h54 h SER 203 Ca -0.00 -0.35 -0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3h54 h SER 203 Cb 0.99 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 3h54 h SER 203 CO 0.05 1.04 -0.31 0.25 -0.87 0.00 0.00 176.83 176.99 3h54 h LEU 204 N 0.73 -0.82 -0.58 5.97 5.85 -1.92 -2.72 115.31 121.81 3h54 h LEU 204 Ca 0.12 0.07 0.10 0.00 0.84 0.00 0.00 57.88 59.01 3h54 h LEU 204 Cb 0.64 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.87 3h54 h LEU 204 CO 0.04 -0.44 0.15 -0.07 -0.34 0.00 0.00 178.44 177.79 3h54 h LEU 205 N -0.65 0.07 -1.94 2.25 3.38 -1.27 -0.52 115.31 116.63 3h54 h LEU 205 Ca -0.02 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3h54 h LEU 205 Cb 0.59 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 3h54 h LEU 205 CO -0.05 0.05 0.06 0.00 0.09 0.00 0.00 178.44 178.59 3h54 h ALA 206 N 1.44 1.98 -0.00 1.53 0.00 -1.19 0.29 119.26 123.32 3h54 h ALA 206 Ca 0.30 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.03 3h54 h ALA 206 Cb 0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3h54 h ALA 206 CO -0.36 0.01 -0.81 -0.44 0.00 0.00 0.00 179.25 177.65 3h54 h ASP 207 N 0.08 0.09 0.00 0.00 3.32 -0.78 0.85 116.42 119.98 3h54 h ASP 207 Ca 0.04 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3h54 h ASP 207 Cb 0.04 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3h54 h ASP 207 CO -0.01 0.86 -1.06 2.30 -1.72 0.00 0.00 179.24 179.61 3h54 n ILE 208 N -3.63 0.00 -4.26 0.35 -5.35 -0.74 -4.25 119.36 101.47 3h54 n ILE 208 Ca -0.02 -0.24 -0.20 0.00 -0.27 0.00 0.00 62.75 62.02 3h54 n ILE 208 Cb 0.77 0.65 -0.12 0.00 -1.74 0.00 0.00 39.64 39.20 3h54 n ILE 208 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h54 h ASN 210 N 4.43 0.00 -4.75 0.00 -0.26 -1.24 0.33 115.58 114.09 3h54 h ASN 210 Ca -0.41 0.00 0.06 0.00 -0.56 0.00 0.00 56.30 55.39 3h54 h ASN 210 Cb 1.18 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 38.30 3h54 h ASN 210 CO 0.41 0.61 0.39 -1.48 -1.06 0.00 0.00 177.43 176.30 3h54 s LEU 211 N -6.33 -0.44 -0.10 1.61 2.34 -1.03 -0.46 118.68 114.28 3h54 s LEU 211 Ca 0.02 0.04 -0.08 0.00 0.06 0.00 0.00 54.13 54.17 3h54 s LEU 211 Cb 0.08 2.23 0.03 0.00 -0.56 0.00 0.00 46.19 47.97 3h54 s LEU 211 CO 0.77 -0.73 0.25 -1.66 -1.06 0.00 0.00 176.35 173.93 3h54 s TRP 212 N -3.19 -0.28 -0.44 3.48 -2.14 -0.94 -0.48 118.94 114.95 3h54 s TRP 212 Ca 0.03 0.69 -0.28 0.00 2.66 0.00 0.00 56.10 59.20 3h54 s TRP 212 Cb -0.01 0.08 0.03 0.00 -3.10 0.00 0.00 33.47 30.47 3h54 s TRP 212 CO -0.09 -0.15 1.05 1.03 -2.66 0.00 0.00 176.95 176.12 3h54 s ARG 213 N 0.37 3.74 0.14 3.25 1.81 -0.45 -1.45 118.95 126.37 3h54 s ARG 213 Ca -0.02 0.53 0.06 0.00 -1.72 0.00 0.00 55.73 54.58 3h54 s ARG 213 Cb -0.04 -3.87 -0.14 0.00 -0.45 0.00 0.00 34.95 30.45 3h54 s ARG 213 CO -0.02 -1.22 1.31 -0.91 -0.68 0.00 0.00 175.30 173.78 3h54 h ASN 214 N 8.94 0.07 -1.53 0.23 4.21 -1.88 -2.25 115.58 123.36 3h54 h ASN 214 Ca -0.23 -0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.21 3h54 h ASN 214 Cb 1.07 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.25 3h54 h ASN 214 CO 1.07 1.00 0.00 0.00 -1.29 0.00 0.00 177.43 178.21 3h54 n TYR 215 N -3.45 -0.07 -1.71 1.19 9.36 -1.26 -3.71 117.16 117.51 3h54 n TYR 215 Ca -0.01 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.82 3h54 n TYR 215 Cb 0.90 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 39.66 3h54 n TYR 215 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3h54 n ASP 216 N -2.26 2.18 -4.65 2.98 8.00 -1.26 -4.86 116.55 116.68 3h54 n ASP 216 Ca 0.00 0.93 -0.48 0.00 0.71 0.00 0.00 54.79 55.95 3h54 n ASP 216 Cb 0.00 -1.53 -0.05 0.00 -0.02 0.00 0.00 41.12 39.52 3h54 n ASP 216 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3h54 n ASP 217 N -0.98 2.70 -4.77 -2.24 8.00 -1.26 -4.89 116.55 113.11 3h54 n ASP 217 Ca 0.12 1.08 -0.40 0.00 0.71 0.00 0.00 54.79 56.30 3h54 n ASP 217 Cb 0.45 -1.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.18 3h54 n ASP 217 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3h54 s ILE 218 N 1.21 3.01 0.34 0.53 2.07 -1.26 -5.06 121.20 122.05 3h54 s ILE 218 Ca 0.83 0.98 0.09 0.00 -1.41 0.00 0.00 60.65 61.14 3h54 s ILE 218 Cb -0.77 -3.61 -0.06 0.00 0.13 0.00 0.00 42.46 38.15 3h54 s ILE 218 CO 0.43 0.20 -0.06 -1.10 -1.91 0.00 0.00 174.94 172.50 3h54 s GLN 219 N -1.82 1.90 -1.31 3.50 -1.52 -1.26 -4.99 119.66 114.15 3h54 s GLN 219 Ca 0.50 -1.88 -0.15 0.00 -1.95 0.00 0.00 55.36 51.88 3h54 s GLN 219 Cb -0.36 -1.77 -0.02 0.00 -0.22 0.00 0.00 33.01 30.64 3h54 s GLN 219 CO 0.46 0.14 2.26 -3.47 -0.25 0.00 0.00 175.29 174.43 3h54 n ASP 220 N -0.84 4.29 -3.58 5.90 -0.08 -1.26 -4.70 116.55 116.28 3h54 n ASP 220 Ca -0.05 -2.74 -0.16 0.00 -1.51 0.00 0.00 54.79 50.34 3h54 n ASP 220 Cb 0.63 -1.50 -0.06 0.00 2.34 0.00 0.00 41.12 42.53 3h54 n ASP 220 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3h54 s SER 221 N 3.46 -0.49 0.19 1.67 1.04 -1.26 -3.85 113.70 114.45 3h54 s SER 221 Ca 0.52 0.40 -0.08 0.00 0.48 0.00 0.00 55.95 57.26 3h54 s SER 221 Cb 0.14 0.48 0.09 0.00 0.10 0.00 0.00 66.02 66.83 3h54 s SER 221 CO -0.04 -0.62 1.63 -0.25 0.98 0.00 0.00 173.24 174.94 3h54 h TRP 222 N 3.08 1.11 -0.79 5.02 -0.00 -1.87 -2.64 115.95 119.86 3h54 h TRP 222 Ca -0.29 -0.22 0.17 0.00 -0.00 0.00 0.00 58.89 58.55 3h54 h TRP 222 Cb 1.17 -0.28 -0.11 0.00 -0.00 0.00 0.00 29.16 29.94 3h54 h TRP 222 CO 0.40 1.02 0.28 2.35 -0.00 0.00 0.00 178.44 182.49 3h54 h TRP 223 N 0.90 0.46 -0.26 2.65 7.01 -1.95 -0.27 115.95 124.49 3h54 h TRP 223 Ca 0.15 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.17 3h54 h TRP 223 Cb 0.64 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 3h54 h TRP 223 CO 0.04 -0.02 0.11 1.03 -2.79 0.00 0.00 178.44 176.80 3h54 h SER 224 N 0.37 0.36 -0.45 2.65 0.87 -1.77 -0.98 113.55 114.61 3h54 h SER 224 Ca 0.45 -0.16 0.02 0.00 -1.23 0.00 0.00 61.79 60.87 3h54 h SER 224 Cb 0.77 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 3h54 h SER 224 CO -0.48 0.43 0.26 0.58 -0.53 0.00 0.00 176.83 177.09 3h54 h VAL 225 N 0.28 1.04 -0.79 2.23 2.07 -1.13 -2.08 116.25 117.87 3h54 h VAL 225 Ca 0.09 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 3h54 h VAL 225 Cb 0.18 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3h54 h VAL 225 CO -0.01 0.10 0.37 -0.07 0.02 0.00 0.00 177.57 177.98 3h54 h LEU 226 N 0.52 1.04 -0.73 2.57 3.38 -0.88 -0.36 115.31 120.86 3h54 h LEU 226 Ca 0.18 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3h54 h LEU 226 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3h54 h LEU 226 CO -0.08 0.89 -0.13 0.77 0.09 0.00 0.00 178.44 179.97 3h54 h SER 227 N 1.11 0.83 0.08 -0.43 4.64 -0.91 0.23 113.55 119.10 3h54 h SER 227 Ca 0.27 -0.26 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h54 h SER 227 Cb 0.13 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3h54 h SER 227 CO -0.03 0.97 -0.04 0.40 -0.87 0.00 0.00 176.83 177.26 3h54 h ILE 228 N 0.75 1.14 -0.41 0.95 2.04 -1.18 -1.70 117.51 119.10 3h54 h ILE 228 Ca 0.12 -0.80 0.09 0.00 1.00 0.00 0.00 64.86 65.27 3h54 h ILE 228 Cb 0.64 1.66 -0.09 0.00 -0.74 0.00 0.00 36.82 38.28 3h54 h ILE 228 CO 0.04 0.20 -0.18 -0.07 0.00 0.00 0.00 178.15 178.14 3h54 h LEU 229 N -0.47 -0.61 -0.54 1.44 3.38 -0.97 -0.88 115.31 116.66 3h54 h LEU 229 Ca -0.01 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.19 3h54 h LEU 229 Cb 0.40 0.34 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 3h54 h LEU 229 CO 0.02 -0.21 0.21 -1.13 0.09 0.00 0.00 178.44 177.41 3h54 h ASN 230 N -0.09 0.22 -0.16 -0.43 -1.24 -0.49 0.84 115.58 114.22 3h54 h ASN 230 Ca 0.20 0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.27 3h54 h ASN 230 Cb 0.41 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 3h54 h ASN 230 CO -0.48 0.15 0.06 -0.25 -1.29 0.00 0.00 177.43 175.62 3h54 h TRP 231 N 0.39 0.25 -0.70 0.67 7.01 -0.84 -0.01 115.95 122.73 3h54 h TRP 231 Ca 0.26 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.24 3h54 h TRP 231 Cb 0.29 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 3h54 h TRP 231 CO -0.16 0.34 0.44 0.74 -2.79 0.00 0.00 178.44 177.01 3h54 h PHE 232 N 0.10 0.89 -0.11 2.65 0.04 -0.73 -2.38 116.94 117.39 3h54 h PHE 232 Ca 0.05 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.71 3h54 h PHE 232 Cb 0.20 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.05 3h54 h PHE 232 CO -0.01 0.58 -0.44 0.28 -0.60 0.00 0.00 178.31 178.12 3h54 h VAL 233 N 0.95 1.37 -0.27 -0.55 2.07 -0.64 -1.67 116.25 117.51 3h54 h VAL 233 Ca 0.25 -1.76 0.07 0.00 0.82 0.00 0.00 66.70 66.09 3h54 h VAL 233 Cb -0.08 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3h54 h VAL 233 CO -0.05 0.53 0.19 -0.33 0.02 0.00 0.00 177.57 177.93 3h54 h GLU 234 N 0.09 0.04 -0.12 1.57 5.08 -0.83 -2.89 114.58 117.53 3h54 h GLU 234 Ca -0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3h54 h GLU 234 Cb 1.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 3h54 h GLU 234 CO 0.09 0.03 -0.03 0.72 -1.00 0.00 0.00 179.01 178.82 3h54 n HIS 235 N -4.47 0.43 0.17 4.33 8.25 -0.91 -4.76 115.22 118.26 3h54 n HIS 235 Ca 0.03 -1.02 0.04 0.00 -0.26 0.00 0.00 57.72 56.52 3h54 n HIS 235 Cb 0.32 -0.24 0.46 0.00 1.12 0.00 0.00 29.99 31.65 3h54 n HIS 235 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 3h54 h GLN 236 N 0.81 0.13 -0.65 -0.41 3.07 -1.07 -0.82 115.11 116.16 3h54 h GLN 236 Ca 0.01 -0.02 0.10 0.00 0.09 0.00 0.00 58.65 58.83 3h54 h GLN 236 Cb 1.21 -0.02 -0.04 0.00 0.08 0.00 0.00 27.48 28.71 3h54 h GLN 236 CO 0.11 0.26 0.43 -0.44 0.09 0.00 0.00 178.83 179.28 3h54 h ASP 237 N 0.12 0.43 0.07 0.06 3.32 -1.86 0.16 116.42 118.73 3h54 h ASP 237 Ca 0.03 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 3h54 h ASP 237 Cb 0.30 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3h54 h ASP 237 CO 0.02 0.26 -0.78 0.40 -1.72 0.00 0.00 179.24 177.41 3h54 h ILE 238 N 0.48 1.38 0.16 0.35 1.08 -1.65 -3.42 117.51 115.89 3h54 h ILE 238 Ca 0.30 -2.38 -0.32 0.00 -0.39 0.00 0.00 64.86 62.07 3h54 h ILE 238 Cb 0.54 2.98 0.01 0.00 -3.07 0.00 0.00 36.82 37.27 3h54 h ILE 238 CO -0.09 0.61 -1.52 -0.07 -0.69 0.00 0.00 178.15 176.40 3h54 h LEU 239 N -0.66 0.54 -0.37 1.44 3.38 -0.88 -3.37 115.31 115.40 3h54 h LEU 239 Ca -0.17 -0.68 0.02 0.00 0.09 0.00 0.00 57.88 57.14 3h54 h LEU 239 Cb 1.41 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 3h54 h LEU 239 CO 0.02 1.56 0.20 -0.61 0.09 0.00 0.00 178.44 179.69 3h54 h GLN 240 N 0.09 0.39 0.00 1.13 -0.00 -0.92 -3.01 115.11 112.79 3h54 h GLN 240 Ca -0.25 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.35 3h54 h GLN 240 Cb 2.06 -0.09 -0.00 0.00 0.00 0.00 0.00 27.48 29.45 3h54 h GLN 240 CO 0.20 0.26 -0.14 -1.35 0.00 0.00 0.00 178.83 177.79 3h54 h PRO 241 N 0.40 0.00 0.00 -2.39 0.11 -1.77 -3.16 132.00 125.19 3h54 h PRO 241 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3h54 h PRO 241 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3h54 h PRO 241 CO -0.10 0.14 -0.03 -0.39 -0.21 0.00 0.00 178.00 177.42 3h54 h VAL 242 N 0.00 0.00 -3.76 3.15 -1.51 -1.70 -3.45 116.25 108.99 3h54 h VAL 242 Ca -0.00 -0.97 -0.50 0.00 -1.23 0.00 0.00 66.70 64.00 3h54 h VAL 242 Cb 0.56 1.96 -0.01 0.00 -2.13 0.00 0.00 31.29 31.67 3h54 h VAL 242 CO 0.02 0.00 0.39 0.00 -1.23 0.00 0.00 177.57 176.75 3h54 s ALA 243 N -3.21 3.36 -0.04 5.19 0.00 -1.20 -4.83 121.76 121.04 3h54 s ALA 243 Ca 0.07 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.44 3h54 s ALA 243 Cb 0.05 -3.25 0.10 0.00 0.00 0.00 0.00 23.12 20.03 3h54 s ALA 243 CO 0.67 0.09 1.31 0.20 0.00 0.00 0.00 175.76 178.03 3h54 s GLY 244 N -1.05 -0.20 -0.24 0.00 0.00 -0.33 -4.55 107.32 100.96 3h54 s GLY 244 Ca 0.42 0.19 -0.39 0.00 0.00 0.00 0.00 44.72 44.94 3h54 s GLY 244 CO 0.35 4.94 1.78 -1.05 0.00 0.00 0.00 173.10 179.12 3h54 n PRO 245 N -0.85 1.40 -0.14 2.90 -0.02 -1.26 -0.91 135.00 136.12 3h54 n PRO 245 Ca 0.02 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3h54 n PRO 245 Cb 0.59 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3h54 n PRO 245 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h54 n GLY 246 N 4.26 0.68 3.11 -1.23 0.00 0.43 -4.87 105.19 107.57 3h54 n GLY 246 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3h54 n GLY 246 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3h54 s HIS 247 N -2.39 -1.62 0.03 1.61 -3.43 -0.09 -1.92 115.29 107.48 3h54 s HIS 247 Ca 0.00 0.67 0.05 0.00 -0.80 0.00 0.00 55.06 54.98 3h54 s HIS 247 Cb 0.00 0.21 -0.03 0.00 -1.43 0.00 0.00 32.58 31.32 3h54 s HIS 247 CO 0.00 -1.09 -0.11 -1.58 -2.00 0.00 0.00 174.74 169.96 3h54 s TRP 248 N 2.47 2.76 0.44 0.38 0.52 0.40 -1.19 118.94 124.73 3h54 s TRP 248 Ca 0.12 -0.13 -0.24 0.00 0.02 0.00 0.00 56.10 55.87 3h54 s TRP 248 Cb -0.09 -1.54 -0.08 0.00 -1.15 0.00 0.00 33.47 30.62 3h54 s TRP 248 CO -0.21 0.34 1.22 -0.80 0.02 0.00 0.00 176.95 177.52 3h54 s ASN 249 N -1.52 6.17 -0.31 2.95 0.01 -1.26 -2.22 114.94 118.75 3h54 s ASN 249 Ca 0.17 2.46 -0.01 0.00 -0.71 0.00 0.00 52.86 54.76 3h54 s ASN 249 Cb -0.11 -2.62 0.10 0.00 0.41 0.00 0.00 41.25 39.03 3h54 s ASN 249 CO 0.08 -0.93 0.10 -0.62 -1.51 0.00 0.00 177.10 174.21 3h54 s ASP 250 N -1.11 3.98 0.00 -1.22 2.15 -0.53 -4.36 116.67 115.59 3h54 s ASP 250 Ca 0.61 -1.60 0.09 0.00 0.43 0.00 0.00 52.55 52.09 3h54 s ASP 250 Cb -0.33 -0.82 0.55 0.00 -0.30 0.00 0.00 42.92 42.02 3h54 s ASP 250 CO 0.41 -0.42 1.36 -0.81 -0.17 0.00 0.00 175.17 175.54 3h54 n PRO 251 N 4.88 1.02 0.00 4.34 -0.05 -1.26 -3.53 135.00 140.40 3h54 n PRO 251 Ca -0.02 -0.03 0.00 0.00 -0.05 0.00 0.00 63.50 63.40 3h54 n PRO 251 Cb 0.42 -1.15 0.00 0.00 -0.05 0.00 0.00 33.50 32.72 3h54 n PRO 251 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 3h54 n ASP 252 N -0.62 0.00 -4.76 3.54 -0.08 -1.26 -4.77 116.55 108.61 3h54 n ASP 252 Ca 0.07 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 53.02 3h54 n ASP 252 Cb 0.04 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.56 3h54 n ASP 252 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3h54 s MET 253 N -0.74 2.54 0.24 -0.67 -1.94 -1.26 -4.86 119.30 112.61 3h54 s MET 253 Ca 0.00 1.46 -0.30 0.00 -1.71 0.00 0.00 55.69 55.14 3h54 s MET 253 Cb 0.00 -1.91 -0.09 0.00 2.01 0.00 0.00 34.83 34.84 3h54 s MET 253 CO 0.00 -1.47 1.09 -0.51 -0.01 0.00 0.00 175.02 174.12 3h54 s LEU 254 N -5.09 4.54 0.00 -0.03 1.43 -0.40 -4.95 118.68 114.18 3h54 s LEU 254 Ca 0.68 2.18 0.25 0.00 -1.03 0.00 0.00 54.13 56.21 3h54 s LEU 254 Cb -0.22 -3.62 0.53 0.00 0.03 0.00 0.00 46.19 42.91 3h54 s LEU 254 CO 0.44 -0.14 1.44 0.18 0.23 0.00 0.00 176.35 178.50 3h54 n LEU 255 N 1.63 1.97 -4.70 1.79 4.77 -1.26 -3.48 117.00 117.73 3h54 n LEU 255 Ca 0.00 -0.66 -0.43 0.00 -0.03 0.00 0.00 56.01 54.90 3h54 n LEU 255 Cb 0.45 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 3h54 n LEU 255 CO 0.54 0.34 1.44 -0.38 -1.33 0.00 0.00 177.39 178.00 3h54 n ILE 256 N 0.34 0.27 0.00 -0.08 5.41 -1.26 -2.02 119.36 122.02 3h54 n ILE 256 Ca 0.14 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.85 3h54 n ILE 256 Cb 0.45 -2.06 0.00 0.00 -0.71 0.00 0.00 39.64 37.32 3h54 n ILE 256 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3h54 n GLY 257 N 4.14 0.52 0.00 7.39 0.00 -1.26 -4.75 105.19 111.22 3h54 n GLY 257 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3h54 n GLY 257 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h54 n ASN 258 N 0.00 0.00 -0.04 1.61 3.02 -0.86 -4.72 115.26 114.28 3h54 n ASN 258 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.51 3h54 n ASN 258 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 3h54 n ASN 258 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3h54 n PHE 259 N 0.00 0.00 0.11 3.10 3.72 -1.26 -4.74 117.46 118.39 3h54 n PHE 259 Ca 0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 3h54 n PHE 259 Cb 0.00 -0.36 0.02 0.00 -0.94 0.00 0.00 39.48 38.19 3h54 n PHE 259 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3h54 h GLY 260 N 1.45 0.00 -5.81 1.37 0.00 -1.91 -3.46 103.07 94.71 3h54 h GLY 260 Ca -0.20 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.49 3h54 h GLY 260 CO 0.01 0.00 -0.54 1.08 0.00 0.00 0.00 176.54 177.09 3h54 s LEU 261 N -5.55 3.99 1.02 3.11 1.43 -1.26 -4.20 118.68 117.21 3h54 s LEU 261 Ca 0.00 0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 53.19 3h54 s LEU 261 Cb 0.09 -1.98 0.20 0.00 0.03 0.00 0.00 46.19 44.52 3h54 s LEU 261 CO 0.77 0.29 1.14 -0.94 0.23 0.00 0.00 176.35 177.85 3h54 s SER 262 N -0.33 2.56 0.12 2.29 1.04 -1.26 -4.77 113.70 113.35 3h54 s SER 262 Ca 0.09 0.84 -0.22 0.00 0.48 0.00 0.00 55.95 57.15 3h54 s SER 262 Cb -0.12 -1.28 -0.06 0.00 0.10 0.00 0.00 66.02 64.66 3h54 s SER 262 CO 0.01 -3.13 1.70 0.25 0.98 0.00 0.00 173.24 173.06 3h54 h LEU 263 N -1.90 -0.24 -0.76 2.42 5.85 -1.99 0.44 115.31 119.14 3h54 h LEU 263 Ca -0.49 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.34 3h54 h LEU 263 Cb 1.31 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.41 3h54 h LEU 263 CO 0.51 -0.10 0.45 -0.33 -0.34 0.00 0.00 178.44 178.62 3h54 h GLU 264 N -0.08 0.79 -0.22 1.25 4.39 -1.92 -1.19 114.58 117.61 3h54 h GLU 264 Ca 0.07 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 3h54 h GLU 264 Cb 0.18 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3h54 h GLU 264 CO -0.16 0.52 -0.38 1.96 -1.16 0.00 0.00 179.01 179.80 3h54 h GLN 265 N 0.82 0.49 -0.44 2.33 4.20 -1.47 -1.13 115.11 119.90 3h54 h GLN 265 Ca 0.33 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 3h54 h GLN 265 Cb 0.18 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3h54 h GLN 265 CO -0.18 0.79 -0.01 0.77 -0.67 0.00 0.00 178.83 179.54 3h54 h SER 266 N 0.41 0.78 -0.11 1.46 0.02 -0.29 0.04 113.55 115.86 3h54 h SER 266 Ca 0.04 -0.31 -0.08 0.00 -0.84 0.00 0.00 61.79 60.60 3h54 h SER 266 Cb 0.85 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 3h54 h SER 266 CO 0.07 0.90 -0.18 0.03 -1.14 0.00 0.00 176.83 176.51 3h54 h ARG 267 N 0.63 0.49 -0.09 3.45 3.08 -1.13 -2.70 114.38 118.12 3h54 h ARG 267 Ca 0.12 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3h54 h ARG 267 Cb 0.51 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 3h54 h ARG 267 CO 0.02 0.65 -0.00 0.00 -1.07 0.00 0.00 179.97 179.57 3h54 h ALA 268 N 1.37 0.13 -0.61 0.04 0.00 -0.84 -1.72 119.26 117.62 3h54 h ALA 268 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3h54 h ALA 268 Cb 0.57 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3h54 h ALA 268 CO 0.04 -0.18 0.39 0.37 0.00 0.00 0.00 179.25 179.87 3h54 h GLN 269 N -0.12 0.81 -0.05 0.00 4.15 -0.95 0.95 115.11 119.90 3h54 h GLN 269 Ca 0.03 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.41 3h54 h GLN 269 Cb 0.36 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3h54 h GLN 269 CO 0.01 0.56 -0.07 1.98 -1.93 0.00 0.00 178.83 179.37 3h54 h MET 270 N 0.83 -0.09 -0.75 1.69 4.05 -1.44 0.47 114.93 119.67 3h54 h MET 270 Ca 0.22 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.60 3h54 h MET 270 Cb -0.07 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.72 3h54 h MET 270 CO -0.05 -0.06 0.30 0.00 0.23 0.00 0.00 176.91 177.33 3h54 h ALA 271 N 0.94 0.98 -0.09 0.39 0.00 -0.93 -2.01 119.26 118.53 3h54 h ALA 271 Ca 0.04 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 3h54 h ALA 271 Cb 0.16 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.66 3h54 h ALA 271 CO -0.11 0.61 -0.59 -0.07 0.00 0.00 0.00 179.25 179.09 3h54 h LEU 272 N 1.09 0.68 -1.34 0.00 3.38 -0.51 -1.59 115.31 117.01 3h54 h LEU 272 Ca 0.25 -0.66 0.06 0.00 0.09 0.00 0.00 57.88 57.62 3h54 h LEU 272 Cb 0.22 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3h54 h LEU 272 CO -0.02 1.23 0.49 -0.50 0.09 0.00 0.00 178.44 179.73 3h54 h TRP 273 N 0.17 0.81 -0.06 1.13 -0.00 -0.92 -1.50 115.95 115.59 3h54 h TRP 273 Ca -0.05 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.85 3h54 h TRP 273 Cb 1.24 -0.27 -0.00 0.00 -0.00 0.00 0.00 29.16 30.13 3h54 h TRP 273 CO 0.11 0.43 -0.00 1.15 -0.00 0.00 0.00 178.44 180.13 3h54 h THR 274 N 0.81 1.27 0.00 1.49 2.02 -1.15 -0.38 112.91 116.96 3h54 h THR 274 Ca 0.32 -0.82 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 3h54 h THR 274 Cb 0.22 1.70 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3h54 h THR 274 CO -0.10 0.23 -0.10 -0.37 0.37 0.00 0.00 175.52 175.54 3h54 h VAL 275 N -0.20 0.51 -0.03 3.16 -1.51 -1.08 -1.84 116.25 115.26 3h54 h VAL 275 Ca 0.02 -0.45 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 3h54 h VAL 275 Cb 0.36 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 3h54 h VAL 275 CO 0.00 0.09 0.00 0.18 -1.23 0.00 0.00 177.57 176.62 3h54 n LEU 276 N -3.61 0.79 -3.94 4.19 4.77 -0.58 0.20 117.00 118.82 3h54 n LEU 276 Ca -0.02 -0.28 -0.30 0.00 -0.03 0.00 0.00 56.01 55.38 3h54 n LEU 276 Cb 0.22 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 3h54 n LEU 276 CO 0.29 0.14 0.06 0.00 -1.33 0.00 0.00 177.39 176.55 3h54 n ALA 277 N -0.35 -1.39 -1.85 -1.18 0.00 -0.69 -4.57 120.51 110.49 3h54 n ALA 277 Ca 0.20 0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.43 3h54 n ALA 277 Cb 0.22 -3.97 -0.01 0.00 0.00 0.00 0.00 19.45 15.69 3h54 n ALA 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h54 s ALA 278 N -3.37 3.07 0.49 0.00 0.00 -0.18 -4.74 121.76 117.03 3h54 s ALA 278 Ca 0.58 0.06 -0.23 0.00 0.00 0.00 0.00 51.96 52.37 3h54 s ALA 278 Cb -0.29 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 3h54 s ALA 278 CO 0.84 -0.46 1.15 -2.30 0.00 0.00 0.00 175.76 174.99 3h54 n PRO 279 N -2.13 1.50 -3.27 0.00 -0.02 -1.26 -4.82 135.00 125.00 3h54 n PRO 279 Ca 0.06 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.68 3h54 n PRO 279 Cb 0.54 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.72 3h54 n PRO 279 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3h54 n LEU 280 N -0.16 5.50 -4.25 2.45 4.77 -0.26 -4.88 117.00 120.17 3h54 n LEU 280 Ca 0.10 -5.17 -0.43 0.00 -0.03 0.00 0.00 56.01 50.48 3h54 n LEU 280 Cb 0.42 -1.25 -0.07 0.00 -2.33 0.00 0.00 43.42 40.19 3h54 n LEU 280 CO 0.55 1.59 0.06 -0.76 -1.33 0.00 0.00 177.39 177.50 3h54 s LEU 281 N -2.03 5.93 0.82 2.23 1.43 -1.26 -1.47 118.68 124.32 3h54 s LEU 281 Ca 0.31 -1.89 -0.13 0.00 -1.03 0.00 0.00 54.13 51.40 3h54 s LEU 281 Cb -0.01 -2.10 0.09 0.00 0.03 0.00 0.00 46.19 44.20 3h54 s LEU 281 CO -0.01 -0.76 1.20 -0.04 0.23 0.00 0.00 176.35 176.97 3h54 s MET 282 N 1.43 1.56 -0.43 1.70 -1.94 -0.04 -1.27 119.30 120.30 3h54 s MET 282 Ca 0.05 1.73 0.06 0.00 -1.71 0.00 0.00 55.69 55.82 3h54 s MET 282 Cb -0.27 -1.77 0.17 0.00 2.01 0.00 0.00 34.83 34.97 3h54 s MET 282 CO 0.01 -2.27 0.54 0.45 -0.01 0.00 0.00 175.02 173.74 3h54 s SER 283 N -2.22 -0.28 0.24 3.03 0.15 -1.23 0.39 113.70 113.79 3h54 s SER 283 Ca 0.72 -1.69 -0.19 0.00 0.70 0.00 0.00 55.95 55.50 3h54 s SER 283 Cb -0.28 1.17 0.03 0.00 -1.71 0.00 0.00 66.02 65.22 3h54 s SER 283 CO 0.51 -0.16 0.61 0.28 1.20 0.00 0.00 173.24 175.69 3h54 s THR 284 N 1.12 0.01 -0.68 6.45 -1.32 -1.26 -3.89 115.64 116.07 3h54 s THR 284 Ca 0.23 -0.86 -0.25 0.00 -1.21 0.00 0.00 61.69 59.60 3h54 s THR 284 Cb -0.05 -1.78 0.05 0.00 -1.51 0.00 0.00 72.50 69.21 3h54 s THR 284 CO -0.07 -0.03 1.13 -0.62 -2.21 0.00 0.00 174.62 172.81 3h54 s ASP 285 N -2.90 6.20 0.22 8.08 -1.08 -1.26 -4.84 116.67 121.09 3h54 s ASP 285 Ca 0.11 -0.62 0.21 0.00 -0.52 0.00 0.00 52.55 51.74 3h54 s ASP 285 Cb -0.03 -2.50 0.93 0.00 -1.46 0.00 0.00 42.92 39.86 3h54 s ASP 285 CO 0.02 -1.62 1.65 0.18 0.52 0.00 0.00 175.17 175.92 3h54 n LEU 286 N 8.53 0.54 0.12 -1.34 4.77 -1.26 -1.60 117.00 126.77 3h54 n LEU 286 Ca 0.01 0.65 -0.02 0.00 -0.03 0.00 0.00 56.01 56.62 3h54 n LEU 286 Cb 0.47 -0.60 0.12 0.00 -2.33 0.00 0.00 43.42 41.08 3h54 n LEU 286 CO 0.68 -0.58 0.43 0.03 -1.33 0.00 0.00 177.39 176.63 3h54 h ARG 287 N 0.00 0.00 0.00 3.23 3.08 -1.93 -3.35 114.38 115.41 3h54 h ARG 287 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h54 h ARG 287 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3h54 h ARG 287 CO 0.00 0.68 0.00 0.25 -1.07 0.00 0.00 179.97 179.83 3h54 n THR 288 N -3.69 0.30 -1.64 2.04 -2.24 -0.92 -5.06 114.28 103.06 3h54 n THR 288 Ca -0.01 -0.57 -0.47 0.00 -2.27 0.00 0.00 64.05 60.74 3h54 n THR 288 Cb 0.68 0.95 -0.04 0.00 -2.10 0.00 0.00 70.33 69.82 3h54 n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h54 n ILE 289 N -0.15 0.57 -1.58 2.28 3.06 -0.63 -4.95 119.36 117.97 3h54 n ILE 289 Ca 0.00 -0.14 -0.32 0.00 -2.50 0.00 0.00 62.75 59.79 3h54 n ILE 289 Cb 0.13 -1.30 0.06 0.00 0.54 0.00 0.00 39.64 39.07 3h54 n ILE 289 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 3h54 s SER 290 N 0.43 4.97 0.25 9.51 1.04 -1.26 -4.87 113.70 123.77 3h54 s SER 290 Ca 0.74 1.88 -0.03 0.00 0.48 0.00 0.00 55.95 59.02 3h54 s SER 290 Cb -0.73 -2.53 0.45 0.00 0.10 0.00 0.00 66.02 63.31 3h54 s SER 290 CO 0.47 -1.72 1.79 0.00 0.98 0.00 0.00 173.24 174.75 3h54 h ALA 291 N -0.45 1.21 -0.57 5.32 0.00 -1.99 -1.34 119.26 121.44 3h54 h ALA 291 Ca -0.45 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 3h54 h ALA 291 Cb 1.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3h54 h ALA 291 CO 0.54 -0.00 0.10 0.37 0.00 0.00 0.00 179.25 180.25 3h54 h GLN 292 N 0.70 0.94 -0.17 0.00 4.15 -1.99 0.15 115.11 118.89 3h54 h GLN 292 Ca 0.42 -0.25 -0.17 0.00 0.77 0.00 0.00 58.65 59.42 3h54 h GLN 292 Cb 0.50 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.07 3h54 h GLN 292 CO -0.30 0.90 -0.60 -0.91 -1.93 0.00 0.00 178.83 175.98 3h54 h ASN 293 N 0.84 0.63 -0.71 -0.69 2.35 -1.90 -2.96 115.58 113.14 3h54 h ASN 293 Ca 0.17 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 3h54 h ASN 293 Cb 0.41 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 3h54 h ASN 293 CO 0.01 1.09 0.41 -0.03 -1.65 0.00 0.00 177.43 177.25 3h54 h MET 294 N 0.42 0.97 -0.64 0.81 4.05 -0.85 -2.41 114.93 117.27 3h54 h MET 294 Ca -0.00 -0.10 0.05 0.00 -0.28 0.00 0.00 59.70 59.36 3h54 h MET 294 Cb 1.16 -0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 31.73 3h54 h MET 294 CO 0.11 0.71 0.43 -0.44 0.23 0.00 0.00 176.91 177.95 3h54 h ASP 295 N 0.97 0.61 0.34 1.39 5.19 -0.64 0.22 116.42 124.49 3h54 h ASP 295 Ca 0.25 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.64 3h54 h ASP 295 Cb 0.00 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.38 3h54 h ASP 295 CO -0.04 0.41 -0.16 0.40 -3.12 0.00 0.00 179.24 176.72 3h54 h ILE 296 N 0.70 0.66 0.00 0.35 2.04 -1.32 -2.98 117.51 116.97 3h54 h ILE 296 Ca 0.27 -0.50 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 3h54 h ILE 296 Cb 0.18 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3h54 h ILE 296 CO -0.08 0.09 -0.37 -0.07 0.00 0.00 0.00 178.15 177.72 3h54 h LEU 297 N -0.74 0.00 -3.32 1.44 3.38 -1.02 -2.98 115.31 112.07 3h54 h LEU 297 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3h54 h LEU 297 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3h54 h LEU 297 CO 0.08 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.98 3h54 n GLN 298 N -3.97 4.09 -1.83 1.13 6.02 0.74 -4.93 117.38 118.63 3h54 n GLN 298 Ca -0.02 -2.97 -0.43 0.00 -0.01 0.00 0.00 57.00 53.57 3h54 n GLN 298 Cb 0.42 -2.02 -0.03 0.00 1.02 0.00 0.00 30.24 29.64 3h54 n GLN 298 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3h54 s ASN 299 N -1.00 5.87 0.21 1.08 3.84 -1.12 -4.89 114.94 118.92 3h54 s ASN 299 Ca 0.51 1.75 -0.10 0.00 0.21 0.00 0.00 52.86 55.23 3h54 s ASN 299 Cb 0.36 -2.52 0.15 0.00 -0.55 0.00 0.00 41.25 38.69 3h54 s ASN 299 CO 0.19 -1.65 1.86 -0.65 -2.79 0.00 0.00 177.10 174.06 3h54 h PRO 300 N 13.08 1.01 -0.27 0.43 0.11 -1.92 -1.68 132.00 142.76 3h54 h PRO 300 Ca -0.38 -0.08 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 3h54 h PRO 300 Cb 1.20 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3h54 h PRO 300 CO 0.99 0.70 -0.43 1.25 -0.21 0.00 0.00 178.00 180.30 3h54 h LEU 301 N 1.03 0.73 -0.45 2.35 5.85 -1.91 -1.03 115.31 121.88 3h54 h LEU 301 Ca 0.27 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3h54 h LEU 301 Cb -0.06 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 3h54 h LEU 301 CO -0.05 1.06 0.28 -0.03 -0.34 0.00 0.00 178.44 179.36 3h54 h MET 302 N 0.55 0.61 -0.26 1.25 4.05 -1.81 -0.79 114.93 118.54 3h54 h MET 302 Ca 0.04 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.37 3h54 h MET 302 Cb 0.97 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.63 3h54 h MET 302 CO 0.09 0.43 -0.01 0.82 0.23 0.00 0.00 176.91 178.47 3h54 h ILE 303 N 0.61 1.26 -0.66 1.77 2.04 -1.23 -0.95 117.51 120.34 3h54 h ILE 303 Ca 0.16 -0.93 0.11 0.00 1.00 0.00 0.00 64.86 65.20 3h54 h ILE 303 Cb -0.03 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 37.33 3h54 h ILE 303 CO -0.03 0.29 0.24 0.50 0.00 0.00 0.00 178.15 179.16 3h54 h LYS 304 N 0.23 0.40 -0.11 2.37 3.64 -0.97 0.27 116.57 122.40 3h54 h LYS 304 Ca 0.07 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3h54 h LYS 304 Cb 0.43 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3h54 h LYS 304 CO 0.01 0.26 0.04 0.82 -2.27 0.00 0.00 179.45 178.32 3h54 h ILE 305 N 0.41 1.17 -1.00 2.00 2.04 -0.94 -2.34 117.51 118.85 3h54 h ILE 305 Ca 0.34 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.74 3h54 h ILE 305 Cb 0.46 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 3h54 h ILE 305 CO -0.35 0.15 0.66 -1.13 0.00 0.00 0.00 178.15 177.48 3h54 h ASN 306 N 0.00 1.09 -0.28 1.72 -0.73 -0.40 -2.31 115.58 114.68 3h54 h ASN 306 Ca 0.04 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.20 3h54 h ASN 306 Cb 0.20 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.54 3h54 h ASN 306 CO -0.00 0.74 0.00 0.00 -0.37 0.00 0.00 177.43 177.80 3h54 n GLN 307 N -4.44 2.63 -1.68 6.67 1.13 0.87 -4.54 117.38 118.01 3h54 n GLN 307 Ca 0.14 -1.42 -0.46 0.00 -1.94 0.00 0.00 57.00 53.32 3h54 n GLN 307 Cb 0.10 -1.75 -0.04 0.00 0.11 0.00 0.00 30.24 28.66 3h54 n GLN 307 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3h54 n ASP 308 N 0.33 3.42 0.20 1.08 2.03 -0.87 -4.85 116.55 117.89 3h54 n ASP 308 Ca 0.13 1.03 0.18 0.00 0.52 0.00 0.00 54.79 56.64 3h54 n ASP 308 Cb 0.62 -1.43 0.83 0.00 -0.72 0.00 0.00 41.12 40.41 3h54 n ASP 308 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3h54 h PRO 309 N 7.59 0.00 0.00 -0.67 0.11 -1.91 -1.01 132.00 136.12 3h54 h PRO 309 Ca -0.46 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 3h54 h PRO 309 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3h54 h PRO 309 CO 0.92 0.00 -0.49 -0.07 -0.21 0.00 0.00 178.00 178.15 3h54 h LEU 310 N 0.00 0.00 -0.68 2.35 3.38 -1.91 -3.47 115.31 114.98 3h54 h LEU 310 Ca 0.10 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.62 3h54 h LEU 310 Cb 0.64 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.40 3h54 h LEU 310 CO -0.00 0.49 -0.71 0.61 0.09 0.00 0.00 178.44 178.92 3h54 n GLY 311 N 0.38 -0.51 3.59 0.83 0.00 -0.38 -4.54 105.19 104.56 3h54 n GLY 311 Ca -0.00 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3h54 n GLY 311 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h54 s ILE 312 N -3.27 4.87 0.30 -0.61 1.01 -1.26 -3.84 121.20 118.40 3h54 s ILE 312 Ca 0.61 0.86 -0.29 0.00 0.00 0.00 0.00 60.65 61.82 3h54 s ILE 312 Cb -0.30 -4.07 -0.11 0.00 0.01 0.00 0.00 42.46 37.99 3h54 s ILE 312 CO 0.75 -0.24 1.49 -1.58 0.00 0.00 0.00 174.94 175.36 3h54 s GLN 313 N 2.76 4.19 1.01 2.79 0.74 -1.26 -4.55 119.66 125.34 3h54 s GLN 313 Ca 0.27 2.46 -0.17 0.00 0.05 0.00 0.00 55.36 57.97 3h54 s GLN 313 Cb -0.14 -3.04 0.22 0.00 1.10 0.00 0.00 33.01 31.14 3h54 s GLN 313 CO 0.13 -0.50 1.27 0.20 -0.55 0.00 0.00 175.29 175.84 3h54 s GLY 314 N 0.21 1.72 0.02 2.59 0.00 0.13 -4.80 107.32 107.20 3h54 s GLY 314 Ca 0.58 -1.11 -0.03 0.00 0.00 0.00 0.00 44.72 44.16 3h54 s GLY 314 CO 0.50 -0.33 0.04 -1.60 0.00 0.00 0.00 173.10 171.71 3h54 s ARG 315 N -5.76 0.45 -0.26 2.90 3.52 -0.31 -4.78 118.95 114.71 3h54 s ARG 315 Ca 0.73 -0.66 -0.29 0.00 -0.13 0.00 0.00 55.73 55.38 3h54 s ARG 315 Cb -0.06 0.17 0.01 0.00 -1.56 0.00 0.00 34.95 33.52 3h54 s ARG 315 CO 0.54 -0.10 1.04 0.50 -0.81 0.00 0.00 175.30 176.47 3h54 s ARG 316 N -1.99 4.19 -0.01 5.12 3.52 -1.26 -0.70 118.95 127.82 3h54 s ARG 316 Ca -0.11 1.24 0.21 0.00 -0.13 0.00 0.00 55.73 56.95 3h54 s ARG 316 Cb -0.05 -3.67 -0.27 0.00 -1.56 0.00 0.00 34.95 29.40 3h54 s ARG 316 CO -0.02 -0.71 0.73 0.44 -0.81 0.00 0.00 175.30 174.93 3h54 n ILE 317 N 5.49 0.00 -3.68 4.11 -5.35 0.54 -4.96 119.36 115.51 3h54 n ILE 317 Ca 0.12 -0.19 -0.13 0.00 -0.27 0.00 0.00 62.75 62.27 3h54 n ILE 317 Cb 0.46 0.63 -0.09 0.00 -1.74 0.00 0.00 39.64 38.91 3h54 n ILE 317 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3h54 s HIS 318 N -3.16 -0.63 -0.21 4.28 3.76 -1.05 -4.99 115.29 113.28 3h54 s HIS 318 Ca 0.02 1.53 -0.04 0.00 -0.15 0.00 0.00 55.06 56.41 3h54 s HIS 318 Cb 0.15 0.22 0.08 0.00 1.11 0.00 0.00 32.58 34.14 3h54 s HIS 318 CO 0.87 -0.30 0.14 0.21 -0.85 0.00 0.00 174.74 174.80 3h54 s LYS 319 N 0.35 0.13 0.39 1.40 2.20 -1.26 -0.78 119.74 122.17 3h54 s LYS 319 Ca -0.00 -0.13 -0.04 0.00 -0.36 0.00 0.00 55.97 55.44 3h54 s LYS 319 Cb -0.04 -1.48 -0.04 0.00 -1.51 0.00 0.00 37.83 34.75 3h54 s LYS 319 CO 0.00 -0.77 0.66 -1.21 -0.36 0.00 0.00 175.35 173.67 3h54 s GLU 320 N 2.18 3.56 0.44 4.03 0.41 -0.54 -4.98 118.70 123.81 3h54 s GLU 320 Ca 0.05 0.01 0.31 0.00 -0.41 0.00 0.00 54.97 54.93 3h54 s GLU 320 Cb -0.16 -2.53 1.40 0.00 -1.78 0.00 0.00 34.13 31.07 3h54 s GLU 320 CO -0.18 0.01 1.91 1.57 -0.49 0.00 0.00 175.26 178.09 3h54 h LYS 321 N 0.80 0.00 0.00 1.61 2.10 -2.02 -0.19 116.57 118.87 3h54 h LYS 321 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3h54 h LYS 321 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3h54 h LYS 321 CO 0.63 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.95 3h54 n SER 322 N -2.68 0.00 -0.55 7.07 3.41 -1.26 -4.87 113.62 114.74 3h54 n SER 322 Ca 0.00 -0.20 -0.07 0.00 -0.26 0.00 0.00 58.87 58.34 3h54 n SER 322 Cb 0.20 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 3h54 n SER 322 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h54 n LEU 323 N -1.17 -0.38 -4.70 1.04 4.77 -0.08 -4.73 117.00 111.76 3h54 n LEU 323 Ca 0.10 0.18 -0.41 0.00 -0.03 0.00 0.00 56.01 55.84 3h54 n LEU 323 Cb 0.10 -1.59 -0.04 0.00 -2.33 0.00 0.00 43.42 39.57 3h54 n LEU 323 CO 0.11 -0.51 0.59 -0.63 -1.33 0.00 0.00 177.39 175.62 3h54 s ILE 324 N -2.12 4.91 0.02 -0.08 -1.09 -1.26 -1.50 121.20 120.09 3h54 s ILE 324 Ca 0.00 1.75 0.02 0.00 -2.23 0.00 0.00 60.65 60.20 3h54 s ILE 324 Cb 0.00 -4.18 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 3h54 s ILE 324 CO 0.00 0.13 -0.00 -1.61 -1.23 0.00 0.00 174.94 172.22 3h54 s GLU 325 N 1.41 2.71 -0.14 2.79 2.02 0.13 -1.46 118.70 126.15 3h54 s GLU 325 Ca 0.43 -0.68 0.02 0.00 0.02 0.00 0.00 54.97 54.77 3h54 s GLU 325 Cb -0.18 -2.62 0.01 0.00 0.10 0.00 0.00 34.13 31.43 3h54 s GLU 325 CO 0.19 0.60 -0.21 0.08 0.02 0.00 0.00 175.26 175.95 3h54 s VAL 326 N -1.14 1.95 0.02 2.63 1.01 0.04 0.50 120.40 125.41 3h54 s VAL 326 Ca 0.21 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.31 3h54 s VAL 326 Cb -0.12 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3h54 s VAL 326 CO 0.12 0.53 -0.04 -0.31 0.00 0.00 0.00 175.10 175.40 3h54 s TYR 327 N 0.87 2.95 -0.04 5.22 1.51 0.21 -0.34 117.35 127.73 3h54 s TYR 327 Ca -0.07 -0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 3h54 s TYR 327 Cb -0.15 -1.60 0.02 0.00 -0.11 0.00 0.00 41.96 40.11 3h54 s TYR 327 CO -0.02 0.42 -0.04 1.41 -1.11 0.00 0.00 175.55 176.21 3h54 s MET 328 N -1.64 0.77 -0.13 -0.62 1.75 0.12 -0.45 119.30 119.10 3h54 s MET 328 Ca 0.19 -0.09 0.02 0.00 -1.25 0.00 0.00 55.69 54.56 3h54 s MET 328 Cb -0.11 -0.79 0.01 0.00 2.84 0.00 0.00 34.83 36.78 3h54 s MET 328 CO 0.10 -0.08 -0.20 0.50 -0.65 0.00 0.00 175.02 174.69 3h54 s ARG 329 N 0.87 2.81 0.25 4.11 3.52 0.42 -1.17 118.95 129.77 3h54 s ARG 329 Ca -0.11 -0.78 -0.30 0.00 -0.13 0.00 0.00 55.73 54.41 3h54 s ARG 329 Cb -0.14 -2.29 -0.09 0.00 -1.56 0.00 0.00 34.95 30.87 3h54 s ARG 329 CO 0.00 -0.02 1.18 -2.14 -0.81 0.00 0.00 175.30 173.50 3h54 s PRO 330 N 0.85 4.53 0.33 5.12 0.02 -1.26 -0.45 135.00 144.14 3h54 s PRO 330 Ca -0.07 1.91 0.04 0.00 0.02 0.00 0.00 61.00 62.89 3h54 s PRO 330 Cb -0.15 -3.19 -0.06 0.00 0.02 0.00 0.00 34.50 31.12 3h54 s PRO 330 CO -0.02 0.02 0.06 -0.51 -0.33 0.00 0.00 177.00 176.23 3h54 s LEU 331 N -1.01 2.18 0.84 -5.54 1.43 -0.16 -4.55 118.68 111.87 3h54 s LEU 331 Ca 0.49 -1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.08 3h54 s LEU 331 Cb -0.34 -0.38 0.10 0.00 0.03 0.00 0.00 46.19 45.61 3h54 s LEU 331 CO 0.41 -0.63 1.09 -0.94 0.23 0.00 0.00 176.35 176.52 3h54 s SER 332 N -3.50 3.90 -1.51 2.29 1.04 -1.26 -3.47 113.70 111.19 3h54 s SER 332 Ca 0.36 1.63 -0.03 0.00 0.48 0.00 0.00 55.95 58.38 3h54 s SER 332 Cb 0.08 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.89 3h54 s SER 332 CO 0.15 -2.39 0.44 0.59 0.98 0.00 0.00 173.24 173.02 3h54 n ASN 333 N -3.73 -5.79 -1.62 7.02 4.13 -1.26 -2.45 115.26 111.55 3h54 n ASN 333 Ca 0.08 -0.21 -0.19 0.00 1.68 0.00 0.00 54.58 55.94 3h54 n ASN 333 Cb 0.54 -4.66 -0.08 0.00 -1.54 0.00 0.00 39.78 34.04 3h54 n ASN 333 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3h54 n LYS 334 N -3.60 -1.45 -2.57 3.52 4.01 -1.25 -4.81 118.16 112.02 3h54 n LYS 334 Ca -0.14 1.10 -0.25 0.00 -0.51 0.00 0.00 58.31 58.52 3h54 n LYS 334 Cb 0.63 -5.48 0.03 0.00 -0.51 0.00 0.00 35.03 29.70 3h54 n LYS 334 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3h54 s ALA 335 N -2.64 3.50 0.04 7.82 0.00 -1.03 -4.39 121.76 125.06 3h54 s ALA 335 Ca 0.00 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 50.97 3h54 s ALA 335 Cb 0.00 -2.39 -0.01 0.00 0.00 0.00 0.00 23.12 20.72 3h54 s ALA 335 CO 0.00 -0.75 0.12 -1.12 0.00 0.00 0.00 175.76 174.00 3h54 s SER 336 N -4.33 0.15 -0.13 0.00 0.01 0.94 -0.99 113.70 109.35 3h54 s SER 336 Ca 0.54 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 57.28 3h54 s SER 336 Cb -0.10 0.24 -0.02 0.00 0.21 0.00 0.00 66.02 66.34 3h54 s SER 336 CO 0.42 -0.52 -0.09 0.00 0.41 0.00 0.00 173.24 173.46 3h54 s ALA 337 N -2.61 2.80 -0.09 1.44 0.00 0.40 -0.42 121.76 123.28 3h54 s ALA 337 Ca -0.05 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.07 3h54 s ALA 337 Cb -0.01 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 3h54 s ALA 337 CO -0.04 0.29 -0.19 -0.51 0.00 0.00 0.00 175.76 175.30 3h54 s LEU 338 N 0.18 2.40 -0.24 0.00 1.43 -0.27 -0.44 118.68 121.74 3h54 s LEU 338 Ca -0.05 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 3h54 s LEU 338 Cb -0.14 -1.49 0.05 0.00 0.03 0.00 0.00 46.19 44.63 3h54 s LEU 338 CO 0.04 0.21 -0.12 -0.69 0.23 0.00 0.00 176.35 176.02 3h54 s VAL 339 N 0.06 2.28 -0.35 -1.59 1.01 0.40 -0.59 120.40 121.62 3h54 s VAL 339 Ca -0.08 -1.38 -0.21 0.00 0.00 0.00 0.00 61.98 60.31 3h54 s VAL 339 Cb -0.15 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.01 3h54 s VAL 339 CO 0.05 0.13 0.68 -0.36 0.00 0.00 0.00 175.10 175.60 3h54 s PHE 340 N 1.18 3.15 -0.17 5.22 0.08 0.28 -0.62 117.98 127.12 3h54 s PHE 340 Ca -0.04 0.45 0.01 0.00 0.12 0.00 0.00 56.93 57.46 3h54 s PHE 340 Cb -0.18 -3.18 0.01 0.00 -0.57 0.00 0.00 43.02 39.10 3h54 s PHE 340 CO -0.07 -0.63 -0.18 0.12 -0.10 0.00 0.00 175.22 174.37 3h54 s PHE 341 N 2.80 2.77 -0.34 0.36 5.99 0.18 -0.93 117.98 128.80 3h54 s PHE 341 Ca 0.26 -1.33 -0.17 0.00 0.00 0.00 0.00 56.93 55.70 3h54 s PHE 341 Cb -0.14 -1.90 -0.01 0.00 0.00 0.00 0.00 43.02 40.97 3h54 s PHE 341 CO 0.15 -0.64 0.45 0.45 -0.00 0.00 0.00 175.22 175.62 3h54 s SER 342 N 1.05 6.26 -0.00 6.13 0.15 -0.19 0.17 113.70 127.26 3h54 s SER 342 Ca -0.01 -0.07 0.12 0.00 0.70 0.00 0.00 55.95 56.69 3h54 s SER 342 Cb -0.14 -2.24 0.36 0.00 -1.71 0.00 0.00 66.02 62.29 3h54 s SER 342 CO -0.05 -0.40 1.30 0.00 1.20 0.00 0.00 173.24 175.28 3h54 s ARG 344 N -1.46 3.35 -0.15 0.00 0.52 -1.26 -4.83 118.95 115.12 3h54 s ARG 344 Ca 0.27 1.48 0.16 0.00 -0.52 0.00 0.00 55.73 57.12 3h54 s ARG 344 Cb 0.14 -2.02 0.43 0.00 0.52 0.00 0.00 34.95 34.02 3h54 s ARG 344 CO 0.18 -0.82 1.20 0.25 0.02 0.00 0.00 175.30 176.13 3h54 n THR 345 N -1.49 1.53 0.00 0.02 -2.24 -1.26 -2.71 114.28 108.13 3h54 n THR 345 Ca 0.11 -2.62 0.00 0.00 -2.27 0.00 0.00 64.05 59.27 3h54 n THR 345 Cb 0.52 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 3h54 n THR 345 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3h54 n ASP 346 N -0.59 0.00 -3.44 3.42 5.75 -1.26 -5.09 116.55 115.34 3h54 n ASP 346 Ca 0.16 0.00 -0.08 0.00 -0.01 0.00 0.00 54.79 54.86 3h54 n ASP 346 Cb 0.85 -0.27 -0.01 0.00 -1.03 0.00 0.00 41.12 40.66 3h54 n ASP 346 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h54 s MET 347 N -0.86 1.97 0.46 0.11 0.23 -1.26 -4.96 119.30 114.99 3h54 s MET 347 Ca 0.00 -1.25 -0.23 0.00 -1.03 0.00 0.00 55.69 53.18 3h54 s MET 347 Cb 0.00 0.60 -0.10 0.00 -1.53 0.00 0.00 34.83 33.80 3h54 s MET 347 CO 0.00 -0.90 0.94 -2.30 -2.03 0.00 0.00 175.02 170.73 3h54 n PRO 348 N -0.49 1.17 -5.02 3.16 -0.02 -1.26 -4.22 135.00 128.33 3h54 n PRO 348 Ca -0.05 0.43 -0.29 0.00 -2.02 0.00 0.00 63.50 61.57 3h54 n PRO 348 Cb 0.60 -2.01 -0.16 0.00 -0.02 0.00 0.00 33.50 31.91 3h54 n PRO 348 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3h54 s TYR 349 N -1.36 2.08 -0.83 6.00 5.04 0.41 -4.94 117.35 123.75 3h54 s TYR 349 Ca 0.66 -0.69 -0.20 0.00 -2.44 0.00 0.00 57.07 54.39 3h54 s TYR 349 Cb -0.53 -1.40 0.11 0.00 0.35 0.00 0.00 41.96 40.49 3h54 s TYR 349 CO 0.55 -0.25 1.07 1.03 -1.34 0.00 0.00 175.55 176.61 3h54 s ARG 350 N 0.13 3.42 -0.26 4.97 0.52 -1.26 -0.98 118.95 125.48 3h54 s ARG 350 Ca -0.09 -1.42 -0.28 0.00 -0.52 0.00 0.00 55.73 53.42 3h54 s ARG 350 Cb -0.14 -4.69 0.01 0.00 0.52 0.00 0.00 34.95 30.65 3h54 s ARG 350 CO 0.04 -1.80 1.00 -0.47 0.02 0.00 0.00 175.30 174.10 3h54 s TYR 351 N 3.21 3.28 -0.23 -0.53 5.04 0.08 -4.91 117.35 123.30 3h54 s TYR 351 Ca 0.29 1.31 -0.10 0.00 -2.44 0.00 0.00 57.07 56.13 3h54 s TYR 351 Cb -0.09 -3.33 -0.05 0.00 0.35 0.00 0.00 41.96 38.84 3h54 s TYR 351 CO -0.03 -0.54 0.13 -1.01 -1.34 0.00 0.00 175.55 172.77 3h54 s HIS 352 N 3.23 3.29 0.12 4.97 3.76 -1.26 -1.24 115.29 128.17 3h54 s HIS 352 Ca 0.42 0.15 -0.03 0.00 -0.15 0.00 0.00 55.06 55.45 3h54 s HIS 352 Cb -0.14 -2.23 0.01 0.00 1.11 0.00 0.00 32.58 31.33 3h54 s HIS 352 CO 0.09 0.06 0.22 0.45 -0.85 0.00 0.00 174.74 174.71 3h54 n SER 353 N 4.15 -0.62 -3.63 1.40 2.88 -0.56 -5.01 113.62 112.23 3h54 n SER 353 Ca -0.15 -1.57 -0.14 0.00 -1.33 0.00 0.00 58.87 55.67 3h54 n SER 353 Cb 0.52 1.08 -0.06 0.00 -0.75 0.00 0.00 64.21 65.00 3h54 n SER 353 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3h54 s SER 354 N -1.70 -0.37 0.40 -3.46 1.04 -1.26 -0.47 113.70 107.88 3h54 s SER 354 Ca 0.07 0.14 0.07 0.00 0.48 0.00 0.00 55.95 56.71 3h54 s SER 354 Cb -0.01 0.45 0.82 0.00 0.10 0.00 0.00 66.02 67.38 3h54 s SER 354 CO 0.05 -0.66 2.03 -0.07 0.98 0.00 0.00 173.24 175.57 3h54 h LEU 355 N 3.01 0.46 -1.32 2.42 3.38 -1.74 -1.13 115.31 120.40 3h54 h LEU 355 Ca -0.31 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.66 3h54 h LEU 355 Cb 1.20 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 3h54 h LEU 355 CO 0.42 0.38 0.48 1.23 0.09 0.00 0.00 178.44 181.03 3h54 h GLY 356 N 0.60 1.00 2.00 0.83 0.00 -1.32 -0.62 103.07 105.57 3h54 h GLY 356 Ca 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3h54 h GLY 356 CO -0.02 0.32 0.00 1.46 0.00 0.00 0.00 176.54 178.30 3h54 h GLN 357 N 0.91 0.00 -0.67 4.80 4.20 -1.44 -2.71 115.11 120.19 3h54 h GLN 357 Ca 0.28 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.77 3h54 h GLN 357 Cb 0.01 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.66 3h54 h GLN 357 CO -0.07 0.00 0.24 1.28 -0.67 0.00 0.00 178.83 179.60 3h54 n LEU 358 N -2.62 5.72 -3.73 1.46 4.77 -0.31 -4.95 117.00 117.33 3h54 n LEU 358 Ca 0.03 -3.30 -0.26 0.00 -0.03 0.00 0.00 56.01 52.45 3h54 n LEU 358 Cb 0.35 -0.72 0.05 0.00 -2.33 0.00 0.00 43.42 40.77 3h54 n LEU 358 CO 0.27 0.87 0.14 0.59 -1.33 0.00 0.00 177.39 177.92 3h54 n ASN 359 N -0.39 -4.70 -4.91 -1.43 3.02 -1.02 -5.01 115.26 100.82 3h54 n ASN 359 Ca 0.40 -0.68 -0.28 0.00 -0.03 0.00 0.00 54.58 53.99 3h54 n ASN 359 Cb 1.33 -4.46 -0.01 0.00 -0.61 0.00 0.00 39.78 36.03 3h54 n ASN 359 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3h54 s PHE 360 N -3.36 3.53 0.25 3.10 0.08 -0.75 -5.03 117.98 115.81 3h54 s PHE 360 Ca 0.49 0.78 -0.30 0.00 0.12 0.00 0.00 56.93 58.02 3h54 s PHE 360 Cb -0.23 -2.25 -0.09 0.00 -0.57 0.00 0.00 43.02 39.87 3h54 s PHE 360 CO 0.78 -0.15 1.15 0.99 -0.10 0.00 0.00 175.22 177.89 3h54 s THR 361 N -2.55 3.44 0.82 0.64 2.01 -1.26 -4.71 115.64 114.04 3h54 s THR 361 Ca 0.47 1.37 -0.11 0.00 0.31 0.00 0.00 61.69 63.73 3h54 s THR 361 Cb -0.10 -3.87 0.09 0.00 0.01 0.00 0.00 72.50 68.62 3h54 s THR 361 CO 0.40 0.29 1.09 -0.83 -0.69 0.00 0.00 174.62 174.88 3h54 s GLY 362 N -0.51 1.66 0.00 4.40 0.00 -1.26 -3.95 107.32 107.67 3h54 s GLY 362 Ca 0.48 0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.39 3h54 s GLY 362 CO 0.41 0.59 0.00 -1.14 0.00 0.00 0.00 173.10 172.96 3h54 n SER 363 N -3.69 0.00 -4.76 1.64 3.41 -1.26 -4.96 113.62 104.00 3h54 n SER 363 Ca 0.09 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.30 3h54 n SER 363 Cb 0.54 -1.16 -0.06 0.00 -0.26 0.00 0.00 64.21 63.27 3h54 n SER 363 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3h54 s VAL 364 N -1.43 4.29 -0.12 -3.33 1.01 -1.25 -5.07 120.40 114.50 3h54 s VAL 364 Ca 0.00 1.87 -0.07 0.00 0.00 0.00 0.00 61.98 63.78 3h54 s VAL 364 Cb 0.00 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 3h54 s VAL 364 CO 0.00 0.49 0.13 -0.63 0.00 0.00 0.00 175.10 175.09 3h54 s ILE 365 N -1.00 5.40 0.27 2.22 1.01 -1.26 -4.32 121.20 123.52 3h54 s ILE 365 Ca 0.39 0.17 0.11 0.00 0.00 0.00 0.00 60.65 61.32 3h54 s ILE 365 Cb -0.24 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 3h54 s ILE 365 CO 0.28 0.60 -0.18 -0.31 0.00 0.00 0.00 174.94 175.33 3h54 s TYR 366 N -0.88 2.22 0.01 3.97 2.02 0.64 -1.04 117.35 124.29 3h54 s TYR 366 Ca 0.14 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.49 3h54 s TYR 366 Cb -0.12 -0.99 -0.01 0.00 -0.40 0.00 0.00 41.96 40.44 3h54 s TYR 366 CO 0.03 0.66 -0.09 -2.00 -1.57 0.00 0.00 175.55 172.58 3h54 s GLU 367 N -3.54 0.64 -0.04 -0.62 2.12 0.53 -1.23 118.70 116.57 3h54 s GLU 367 Ca 0.29 -0.43 0.04 0.00 0.36 0.00 0.00 54.97 55.22 3h54 s GLU 367 Cb -0.04 -0.59 0.00 0.00 0.26 0.00 0.00 34.13 33.76 3h54 s GLU 367 CO 0.14 0.15 -0.14 0.00 -0.54 0.00 0.00 175.26 174.87 3h54 s ALA 368 N -0.50 1.30 -0.20 6.30 0.00 0.71 -0.99 121.76 128.38 3h54 s ALA 368 Ca 0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 51.96 51.35 3h54 s ALA 368 Cb -0.05 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 3h54 s ALA 368 CO 0.00 0.22 0.02 -1.14 0.00 0.00 0.00 175.76 174.86 3h54 s GLN 369 N 0.14 3.69 -0.07 0.00 0.74 0.27 -0.03 119.66 124.39 3h54 s GLN 369 Ca -0.04 -0.48 -0.30 0.00 0.05 0.00 0.00 55.36 54.59 3h54 s GLN 369 Cb -0.11 -3.12 -0.06 0.00 1.10 0.00 0.00 33.01 30.83 3h54 s GLN 369 CO 0.02 0.06 1.75 0.34 -0.55 0.00 0.00 175.29 176.90 3h54 s ASP 370 N 0.90 6.50 0.40 6.67 -1.08 0.45 -0.63 116.67 129.88 3h54 s ASP 370 Ca 0.02 2.20 0.09 0.00 -0.52 0.00 0.00 52.55 54.34 3h54 s ASP 370 Cb -0.14 -2.53 0.83 0.00 -1.46 0.00 0.00 42.92 39.61 3h54 s ASP 370 CO 0.02 -1.07 1.97 0.58 0.52 0.00 0.00 175.17 177.19 3h54 h VAL 371 N 5.78 1.14 0.09 1.11 2.07 -1.19 0.97 116.25 126.22 3h54 h VAL 371 Ca -0.41 -0.55 -0.36 0.00 0.82 0.00 0.00 66.70 66.20 3h54 h VAL 371 Cb 1.19 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3h54 h VAL 371 CO 0.96 0.19 -2.02 -1.22 0.02 0.00 0.00 177.57 175.49 3h54 n TYR 372 N -4.35 1.06 0.06 1.57 4.01 -1.26 -4.44 117.16 113.81 3h54 n TYR 372 Ca 0.00 0.24 0.09 0.00 -0.16 0.00 0.00 57.90 58.08 3h54 n TYR 372 Cb 0.19 -1.15 -0.06 0.00 -0.31 0.00 0.00 39.34 38.02 3h54 n TYR 372 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3h54 n SER 373 N -3.39 0.60 0.00 7.72 3.41 -1.23 -4.96 113.62 115.78 3h54 n SER 373 Ca -0.32 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 3h54 n SER 373 Cb 1.04 0.83 0.00 0.00 -0.26 0.00 0.00 64.21 65.83 3h54 n SER 373 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h54 n GLY 374 N 1.25 2.50 3.74 5.00 0.00 0.33 -5.01 105.19 113.00 3h54 n GLY 374 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 3h54 n GLY 374 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h54 n ASP 375 N 0.00 2.97 -4.35 1.61 8.00 -1.26 -4.60 116.55 118.93 3h54 n ASP 375 Ca 0.00 1.10 -0.35 0.00 0.71 0.00 0.00 54.79 56.25 3h54 n ASP 375 Cb 0.00 -1.56 -0.14 0.00 -0.02 0.00 0.00 41.12 39.40 3h54 n ASP 375 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h54 s ILE 376 N -1.21 3.61 -0.27 0.53 1.01 -1.26 -0.41 121.20 123.21 3h54 s ILE 376 Ca 0.62 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.76 3h54 s ILE 376 Cb -0.47 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 3h54 s ILE 376 CO 0.57 0.40 0.15 -0.63 0.00 0.00 0.00 174.94 175.44 3h54 s ILE 377 N 1.48 5.06 0.28 2.92 1.09 0.95 -4.97 121.20 128.01 3h54 s ILE 377 Ca 0.06 0.08 0.11 0.00 -1.10 0.00 0.00 60.65 59.80 3h54 s ILE 377 Cb -0.14 -3.39 -0.05 0.00 -1.06 0.00 0.00 42.46 37.81 3h54 s ILE 377 CO -0.01 0.29 -0.17 -0.55 -0.10 0.00 0.00 174.94 174.39 3h54 s SER 378 N 1.63 3.49 -0.60 3.58 0.15 -1.26 -0.21 113.70 120.48 3h54 s SER 378 Ca 0.07 -1.06 -0.04 0.00 0.70 0.00 0.00 55.95 55.62 3h54 s SER 378 Cb -0.15 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 3h54 s SER 378 CO 0.08 -0.03 0.52 0.61 1.20 0.00 0.00 173.24 175.62 3h54 n GLY 379 N -0.63 0.26 3.48 9.45 0.00 -1.08 -5.00 105.19 111.68 3h54 n GLY 379 Ca -0.05 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 3h54 n GLY 379 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h54 s LEU 380 N -3.84 4.79 0.60 0.99 1.43 -0.37 -4.88 118.68 117.41 3h54 s LEU 380 Ca 0.23 -0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 3h54 s LEU 380 Cb -0.10 -2.51 0.04 0.00 0.03 0.00 0.00 46.19 43.64 3h54 s LEU 380 CO 0.33 -0.74 0.86 -0.13 0.23 0.00 0.00 176.35 176.89 3h54 s ARG 381 N 2.51 2.44 0.31 1.70 0.52 -1.26 -0.26 118.95 124.90 3h54 s ARG 381 Ca 0.16 -0.58 0.04 0.00 -0.52 0.00 0.00 55.73 54.83 3h54 s ARG 381 Cb -0.17 -2.38 0.65 0.00 0.52 0.00 0.00 34.95 33.58 3h54 s ARG 381 CO 0.15 -0.89 1.84 -0.44 0.02 0.00 0.00 175.30 175.98 3h54 h ASP 382 N -0.16 0.83 1.44 0.23 3.32 -1.88 -2.28 116.42 117.93 3h54 h ASP 382 Ca -0.43 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3h54 h ASP 382 Cb 1.30 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3h54 h ASP 382 CO 0.55 0.43 -0.10 -0.33 -1.72 0.00 0.00 179.24 178.07 3h54 h GLU 383 N 0.88 0.00 -6.26 3.56 3.07 -1.96 -0.28 114.58 113.59 3h54 h GLU 383 Ca 0.49 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.80 3h54 h GLU 383 Cb 0.59 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 3h54 h GLU 383 CO -0.25 0.00 1.15 0.99 -1.40 0.00 0.00 179.01 179.49 3h54 s THR 384 N -3.13 3.47 0.13 1.13 2.01 -0.86 -4.96 115.64 113.44 3h54 s THR 384 Ca 0.09 0.56 -0.30 0.00 0.31 0.00 0.00 61.69 62.35 3h54 s THR 384 Cb 0.12 -3.40 -0.07 0.00 0.01 0.00 0.00 72.50 69.16 3h54 s THR 384 CO 0.62 -0.09 1.16 0.20 -0.69 0.00 0.00 174.62 175.82 3h54 s ASN 385 N 4.04 7.15 0.14 3.53 0.01 -1.26 -4.30 114.94 124.26 3h54 s ASN 385 Ca 0.77 2.09 0.05 0.00 -0.71 0.00 0.00 52.86 55.06 3h54 s ASN 385 Cb -0.33 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.69 3h54 s ASN 385 CO 0.32 -0.35 -0.12 0.72 -1.51 0.00 0.00 177.10 176.16 3h54 s PHE 386 N 0.32 1.33 -0.11 2.20 -0.12 0.38 -5.00 117.98 116.97 3h54 s PHE 386 Ca 0.54 -0.67 0.03 0.00 -0.05 0.00 0.00 56.93 56.78 3h54 s PHE 386 Cb -0.30 -0.68 0.01 0.00 -0.63 0.00 0.00 43.02 41.42 3h54 s PHE 386 CO 0.33 0.12 -0.20 0.99 -0.05 0.00 0.00 175.22 176.41 3h54 s THR 387 N -2.85 1.85 -0.08 -4.49 2.01 -1.26 -1.49 115.64 109.33 3h54 s THR 387 Ca 0.14 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.29 3h54 s THR 387 Cb -0.01 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 3h54 s THR 387 CO 0.02 0.51 -0.15 0.68 -0.69 0.00 0.00 174.62 174.99 3h54 s VAL 388 N 0.70 2.93 -0.37 3.82 -7.23 -0.37 -4.96 120.40 114.91 3h54 s VAL 388 Ca -0.11 -0.75 -0.16 0.00 -1.81 0.00 0.00 61.98 59.16 3h54 s VAL 388 Cb -0.16 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.61 3h54 s VAL 388 CO 0.02 0.56 0.37 -0.63 -0.31 0.00 0.00 175.10 175.11 3h54 s ILE 389 N -0.25 5.17 -0.16 -0.62 1.01 -1.26 -0.74 121.20 124.35 3h54 s ILE 389 Ca 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.45 3h54 s ILE 389 Cb -0.13 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 3h54 s ILE 389 CO 0.03 -0.21 -0.09 -0.63 0.00 0.00 0.00 174.94 174.04 3h54 s ILE 390 N 1.98 3.28 0.49 2.92 1.01 -0.16 -4.84 121.20 125.89 3h54 s ILE 390 Ca 0.10 -0.56 -0.17 0.00 0.00 0.00 0.00 60.65 60.02 3h54 s ILE 390 Cb -0.17 -2.42 -0.08 0.00 0.01 0.00 0.00 42.46 39.80 3h54 s ILE 390 CO 0.12 0.49 0.97 0.20 0.00 0.00 0.00 174.94 176.72 3h54 s ASN 391 N 0.67 6.66 0.35 3.58 0.01 -1.26 -0.45 114.94 124.51 3h54 s ASN 391 Ca -0.05 1.56 -0.28 0.00 -0.71 0.00 0.00 52.86 53.38 3h54 s ASN 391 Cb -0.15 -2.50 -0.11 0.00 0.41 0.00 0.00 41.25 38.89 3h54 s ASN 391 CO 0.02 -0.54 1.47 -2.65 -1.51 0.00 0.00 177.10 173.89 3h54 n PRO 392 N -1.42 2.58 -2.37 -0.60 -0.02 -1.26 -1.20 135.00 130.71 3h54 n PRO 392 Ca 0.06 0.91 -0.15 0.00 -2.02 0.00 0.00 63.50 62.30 3h54 n PRO 392 Cb 0.54 -2.62 -0.01 0.00 -0.02 0.00 0.00 33.50 31.39 3h54 n PRO 392 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3h54 n SER 393 N 0.84 -4.43 -3.19 2.55 3.41 -0.72 -4.85 113.62 107.23 3h54 n SER 393 Ca 0.03 0.15 -0.18 0.00 -0.26 0.00 0.00 58.87 58.61 3h54 n SER 393 Cb 0.38 -3.76 -0.05 0.00 -0.26 0.00 0.00 64.21 60.52 3h54 n SER 393 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h54 n GLY 394 N -0.83 3.45 3.16 5.00 0.00 -0.34 -3.25 105.19 112.38 3h54 n GLY 394 Ca -0.17 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.70 3h54 n GLY 394 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h54 s VAL 395 N -2.69 0.49 -0.07 1.61 -7.23 -1.26 -1.02 120.40 110.22 3h54 s VAL 395 Ca 0.16 -1.91 0.05 0.00 -1.81 0.00 0.00 61.98 58.48 3h54 s VAL 395 Cb 0.01 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 3h54 s VAL 395 CO 0.11 -0.77 -0.24 -0.69 -0.31 0.00 0.00 175.10 173.21 3h54 s VAL 396 N -3.76 2.02 -0.09 1.32 1.01 -0.11 -4.76 120.40 116.03 3h54 s VAL 396 Ca 0.15 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.12 3h54 s VAL 396 Cb 0.06 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.73 3h54 s VAL 396 CO -0.03 0.56 -0.20 -0.32 0.00 0.00 0.00 175.10 175.11 3h54 s MET 397 N -0.02 2.58 -0.08 2.72 1.75 -1.26 -0.55 119.30 124.43 3h54 s MET 397 Ca -0.08 -0.71 0.02 0.00 -1.25 0.00 0.00 55.69 53.67 3h54 s MET 397 Cb -0.15 -2.01 -0.02 0.00 2.84 0.00 0.00 34.83 35.49 3h54 s MET 397 CO 0.05 0.10 -0.13 -1.58 -0.65 0.00 0.00 175.02 172.81 3h54 s TRP 398 N 0.52 2.76 -0.38 4.11 0.52 0.24 -0.62 118.94 126.10 3h54 s TRP 398 Ca -0.16 -0.35 -0.13 0.00 0.02 0.00 0.00 56.10 55.49 3h54 s TRP 398 Cb -0.17 -1.73 0.02 0.00 -1.15 0.00 0.00 33.47 30.44 3h54 s TRP 398 CO 0.06 0.03 0.24 -0.47 0.02 0.00 0.00 176.95 176.83 3h54 s TYR 399 N -0.28 3.23 -0.06 -1.98 5.04 0.20 -1.11 117.35 122.39 3h54 s TYR 399 Ca 0.02 -0.69 0.03 0.00 -2.44 0.00 0.00 57.07 53.99 3h54 s TYR 399 Cb -0.13 -2.50 -0.03 0.00 0.35 0.00 0.00 41.96 39.66 3h54 s TYR 399 CO 0.03 -0.57 -0.13 -1.17 -1.34 0.00 0.00 175.55 172.37 3h54 s LEU 400 N 1.63 2.81 -0.03 6.97 2.96 0.44 -0.57 118.68 132.89 3h54 s LEU 400 Ca 0.04 -0.17 -0.18 0.00 -0.22 0.00 0.00 54.13 53.60 3h54 s LEU 400 Cb -0.19 -1.58 0.03 0.00 0.50 0.00 0.00 46.19 44.96 3h54 s LEU 400 CO 0.08 0.34 0.39 -0.72 -1.32 0.00 0.00 176.35 175.13 3h54 s TYR 401 N -0.71 -0.30 0.49 5.38 -0.85 -0.16 -0.04 117.35 121.16 3h54 s TYR 401 Ca 0.11 0.51 -0.22 0.00 -0.52 0.00 0.00 57.07 56.95 3h54 s TYR 401 Cb -0.11 0.16 -0.07 0.00 0.38 0.00 0.00 41.96 42.33 3h54 s TYR 401 CO 0.01 -0.42 1.18 -2.14 -1.52 0.00 0.00 175.55 172.66 3h54 s PRO 402 N -1.16 3.59 0.05 -3.49 0.02 -1.26 -0.35 135.00 132.40 3h54 s PRO 402 Ca -0.12 1.79 0.07 0.00 0.02 0.00 0.00 61.00 62.77 3h54 s PRO 402 Cb -0.04 -2.30 -0.03 0.00 0.02 0.00 0.00 34.50 32.15 3h54 s PRO 402 CO 0.05 -0.70 -0.19 0.96 -0.33 0.00 0.00 177.00 176.79 3h54 s ILE 403 N -1.56 1.57 -2.81 2.83 -4.36 -0.21 -4.80 121.20 111.86 3h54 s ILE 403 Ca 0.67 -1.21 0.26 0.00 -0.26 0.00 0.00 60.65 60.10 3h54 s ILE 403 Cb -0.29 -1.38 0.33 0.00 1.25 0.00 0.00 42.46 42.36 3h54 s ILE 403 CO 0.35 0.13 1.44 0.29 0.24 0.00 0.00 174.94 177.38