#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 7.89 -0.40 1.96 2.03 -1.26 -4.45 116.55 122.32 3h54 n ASP 19 Ca 0.00 -2.73 0.06 0.00 0.52 0.00 0.00 54.79 52.64 3h54 n ASP 19 Cb 0.00 -1.53 0.13 0.00 -0.72 0.00 0.00 41.12 39.00 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 3.57 2.77 0.00 1.67 0.23 -1.26 -4.98 115.26 117.26 3h54 n ASN 20 Ca 0.71 -2.47 0.00 0.00 -0.53 0.00 0.00 54.58 52.30 3h54 n ASN 20 Cb 0.26 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 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 -0.42 1.91 3.80 4.83 0.00 -1.26 -4.92 105.19 109.13 3h54 n GLY 21 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 3.82 -1.32 0.99 1.43 -1.26 -4.66 118.68 117.67 3h54 s LEU 22 Ca 0.00 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 3h54 s LEU 22 Cb 0.00 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.79 3h54 s LEU 22 CO 0.00 0.09 0.76 0.18 0.23 0.00 0.00 176.35 177.61 3h54 n LEU 23 N -0.22 -3.13 0.22 1.79 4.77 -1.26 -4.27 117.00 114.90 3h54 n LEU 23 Ca -0.08 -0.79 0.15 0.00 -0.03 0.00 0.00 56.01 55.26 3h54 n LEU 23 Cb 0.54 -2.70 0.75 0.00 -2.33 0.00 0.00 43.42 39.68 3h54 n LEU 23 CO 0.44 0.42 0.95 1.56 -1.33 0.00 0.00 177.39 179.42 3h54 h GLN 24 N -1.91 0.00 -5.45 3.23 1.08 -1.90 0.17 115.11 110.33 3h54 h GLN 24 Ca -0.61 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.12 3h54 h GLN 24 Cb 1.36 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.65 3h54 h GLN 24 CO 0.57 0.00 -0.68 0.95 -0.95 0.00 0.00 178.83 178.72 3h54 s THR 25 N -3.67 1.56 0.47 -0.54 -4.23 -1.26 -4.31 115.64 103.65 3h54 s THR 25 Ca -0.01 -2.12 -0.24 0.00 -1.18 0.00 0.00 61.69 58.13 3h54 s THR 25 Cb 0.09 -2.38 -0.07 0.00 1.34 0.00 0.00 72.50 71.47 3h54 s THR 25 CO 0.33 -0.34 1.39 -2.84 -0.54 0.00 0.00 174.62 172.62 3h54 s PRO 26 N -3.74 3.59 0.33 3.99 0.02 -1.26 -4.84 135.00 133.10 3h54 s PRO 26 Ca 0.28 2.33 -0.29 0.00 0.02 0.00 0.00 61.00 63.34 3h54 s PRO 26 Cb 0.03 -2.57 -0.10 0.00 0.02 0.00 0.00 34.50 31.88 3h54 s PRO 26 CO 0.11 -0.86 1.37 -1.25 -0.33 0.00 0.00 177.00 176.04 3h54 s PRO 27 N -2.54 4.28 -0.05 5.54 0.04 -1.26 -4.75 135.00 136.27 3h54 s PRO 27 Ca 0.63 2.31 0.06 0.00 0.04 0.00 0.00 61.00 64.05 3h54 s PRO 27 Cb -0.42 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.06 3h54 s PRO 27 CO 0.53 -0.31 -0.24 -1.64 0.04 0.00 0.00 177.00 175.38 3h54 s MET 28 N -1.63 2.38 0.00 4.56 -1.94 -1.26 -0.71 119.30 120.70 3h54 s MET 28 Ca 0.52 -0.88 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 3h54 s MET 28 Cb -0.42 -2.07 0.00 0.00 2.01 0.00 0.00 34.83 34.36 3h54 s MET 28 CO 0.54 0.40 0.00 0.41 -0.01 0.00 0.00 175.02 176.36 3h54 n GLY 29 N 2.87 -0.68 2.94 -0.03 0.00 -0.26 -0.88 105.19 109.15 3h54 n GLY 29 Ca -0.17 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.12 -0.03 1.61 -0.00 0.20 -0.32 118.94 116.28 3h54 s TRP 30 Ca 0.00 0.35 0.04 0.00 -0.00 0.00 0.00 56.10 56.49 3h54 s TRP 30 Cb 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 33.47 33.43 3h54 s TRP 30 CO 0.00 -0.10 -0.16 -1.17 -0.00 0.00 0.00 176.95 175.51 3h54 s LEU 31 N 0.60 1.95 0.38 5.86 0.20 0.17 -0.15 118.68 127.68 3h54 s LEU 31 Ca -0.05 -0.32 0.17 0.00 0.69 0.00 0.00 54.13 54.62 3h54 s LEU 31 Cb -0.06 -0.90 0.74 0.00 -0.43 0.00 0.00 46.19 45.55 3h54 s LEU 31 CO -0.03 0.16 1.79 0.00 -0.29 0.00 0.00 176.35 177.99 3h54 h ALA 32 N 6.07 1.15 0.68 5.97 0.00 -1.72 -3.37 119.26 128.05 3h54 h ALA 32 Ca -0.34 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 3h54 h ALA 32 Cb 1.17 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.90 3h54 h ALA 32 CO 0.48 0.47 -0.33 2.35 0.00 0.00 0.00 179.25 182.22 3h54 h TRP 33 N 0.00 -0.85 -0.63 0.00 2.91 -1.87 -1.80 115.95 113.70 3h54 h TRP 33 Ca -0.00 -0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.06 3h54 h TRP 33 Cb 0.78 0.28 -0.06 0.00 -0.51 0.00 0.00 29.16 29.65 3h54 h TRP 33 CO 0.00 -0.51 0.32 1.49 -1.03 0.00 0.00 178.44 178.71 3h54 h GLU 34 N -1.00 0.57 0.10 2.65 4.22 -1.87 0.30 114.58 119.55 3h54 h GLU 34 Ca -0.09 -0.03 -0.30 0.00 0.08 0.00 0.00 59.36 59.01 3h54 h GLU 34 Cb 0.73 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3h54 h GLU 34 CO 0.15 0.38 -1.56 -0.09 -2.18 0.00 0.00 179.01 175.71 3h54 h ARG 35 N 0.59 0.21 0.00 1.92 9.65 -1.67 -3.40 114.38 121.67 3h54 h ARG 35 Ca 0.29 -0.36 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3h54 h ARG 35 Cb 0.24 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 3h54 h ARG 35 CO -0.21 1.05 -0.95 1.19 2.80 0.00 0.00 179.97 183.85 3h54 n PHE 36 N -3.41 0.00 -1.06 2.20 3.72 -0.68 -5.04 117.46 113.20 3h54 n PHE 36 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3h54 n PHE 36 Cb 1.04 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.47 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 -1.53 0.00 -1.77 -1.08 5.12 0.10 -2.71 116.66 114.79 3h54 n ARG 37 Ca -0.00 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.61 3h54 n ARG 37 Cb 0.18 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.52 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 -2.60 5.78 0.00 0.00 2.47 -1.10 -4.79 114.94 114.69 3h54 s ASN 39 Ca 0.57 0.05 0.14 0.00 0.42 0.00 0.00 52.86 54.04 3h54 s ASN 39 Cb 0.45 -2.54 -0.01 0.00 -1.45 0.00 0.00 41.25 37.70 3h54 s ASN 39 CO -0.05 -2.03 0.78 2.30 -3.72 0.00 0.00 177.10 174.38 3h54 n ILE 40 N 6.84 0.00 -2.28 -5.21 -5.35 -1.26 0.36 119.36 112.45 3h54 n ILE 40 Ca 0.12 -0.35 -0.38 0.00 -0.27 0.00 0.00 62.75 61.87 3h54 n ILE 40 Cb 0.50 1.16 -0.02 0.00 -1.74 0.00 0.00 39.64 39.55 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 -0.19 4.17 0.15 7.28 5.15 -1.26 -4.71 115.26 125.84 3h54 n ASN 41 Ca 0.06 -2.83 0.02 0.00 -0.60 0.00 0.00 54.58 51.22 3h54 n ASN 41 Cb 0.30 -1.71 0.16 0.00 -0.53 0.00 0.00 39.78 38.00 3h54 n ASN 41 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3h54 h ASP 43 N 0.00 0.40 0.77 0.00 5.19 -1.98 -1.96 116.42 118.84 3h54 h ASP 43 Ca -0.01 -0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.33 3h54 h ASP 43 Cb 1.19 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.59 3h54 h ASP 43 CO 0.07 0.29 -1.29 -0.62 -3.12 0.00 0.00 179.24 174.57 3h54 n GLU 44 N -4.85 0.62 -3.18 3.56 1.02 -1.24 -4.62 120.64 111.94 3h54 n GLU 44 Ca 0.00 0.13 -0.20 0.00 -0.02 0.00 0.00 57.16 57.07 3h54 n GLU 44 Cb 0.04 -1.78 -0.04 0.00 -0.02 0.00 0.00 31.44 29.63 3h54 n GLU 44 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3h54 n ASP 45 N -2.72 0.81 0.29 1.62 2.03 -0.71 -4.97 116.55 112.90 3h54 n ASP 45 Ca -0.05 -2.95 0.17 0.00 0.52 0.00 0.00 54.79 52.49 3h54 n ASP 45 Cb 0.67 -0.62 0.85 0.00 -0.72 0.00 0.00 41.12 41.30 3h54 n ASP 45 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3h54 h PRO 46 N 3.30 0.00 0.00 -0.67 0.13 -1.57 -2.04 132.00 131.15 3h54 h PRO 46 Ca 0.09 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.17 3h54 h PRO 46 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 3h54 h PRO 46 CO 0.50 0.05 -0.61 -0.22 -0.23 0.00 0.00 178.00 177.49 3h54 h LYS 47 N 0.00 0.00 -0.00 0.86 1.63 -1.93 -3.38 116.57 113.75 3h54 h LYS 47 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3h54 h LYS 47 Cb 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 3h54 h LYS 47 CO 0.01 0.17 -0.05 0.09 -3.45 0.00 0.00 179.45 176.21 3h54 n ASN 48 N -2.99 0.09 -4.75 4.20 3.02 -1.07 -4.85 115.26 108.91 3h54 n ASN 48 Ca 0.00 -0.54 -0.32 0.00 -0.03 0.00 0.00 54.58 53.69 3h54 n ASN 48 Cb 0.63 0.97 0.09 0.00 -0.61 0.00 0.00 39.78 40.86 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 -2.68 3.45 0.16 0.00 -1.09 0.16 -4.61 121.20 116.59 3h54 s ILE 50 Ca 0.64 0.31 -0.13 0.00 -2.23 0.00 0.00 60.65 59.24 3h54 s ILE 50 Cb -0.19 -4.03 0.01 0.00 -1.58 0.00 0.00 42.46 36.66 3h54 s ILE 50 CO 0.52 -0.95 0.37 -0.94 -1.23 0.00 0.00 174.94 172.71 3h54 s SER 51 N 7.13 -0.09 0.43 3.58 1.04 -1.26 -4.89 113.70 119.63 3h54 s SER 51 Ca 0.65 -0.63 0.10 0.00 0.48 0.00 0.00 55.95 56.55 3h54 s SER 51 Cb -0.13 0.48 0.96 0.00 0.10 0.00 0.00 66.02 67.43 3h54 s SER 51 CO 0.22 -0.92 2.05 1.05 0.98 0.00 0.00 173.24 176.61 3h54 h GLU 52 N 2.42 0.43 -0.40 4.02 4.11 -1.21 -1.94 114.58 122.01 3h54 h GLU 52 Ca -0.31 -0.03 0.03 0.00 0.07 0.00 0.00 59.36 59.12 3h54 h GLU 52 Cb 1.24 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 3h54 h GLU 52 CO 0.45 0.28 0.21 0.37 0.07 0.00 0.00 179.01 180.40 3h54 h GLN 53 N 0.44 0.42 -0.43 1.06 4.15 -1.94 0.66 115.11 119.47 3h54 h GLN 53 Ca 0.17 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.63 3h54 h GLN 53 Cb 0.14 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.68 3h54 h GLN 53 CO -0.04 0.28 0.13 1.25 -1.93 0.00 0.00 178.83 178.51 3h54 h LEU 54 N 0.43 0.10 -0.45 -2.39 5.85 -1.61 -0.93 115.31 116.31 3h54 h LEU 54 Ca 0.17 0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.78 3h54 h LEU 54 Cb 0.05 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 3h54 h LEU 54 CO -0.10 0.09 -0.57 -0.26 -0.34 0.00 0.00 178.44 177.26 3h54 h PHE 55 N 0.28 0.79 -0.33 1.25 0.04 -1.31 -2.08 116.94 115.58 3h54 h PHE 55 Ca 0.20 -0.28 -0.04 0.00 2.80 0.00 0.00 57.97 60.65 3h54 h PHE 55 Cb 0.22 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3h54 h PHE 55 CO -0.17 1.04 0.05 0.52 -0.60 0.00 0.00 178.31 179.15 3h54 h MET 56 N 0.47 0.55 -0.78 1.51 2.86 -0.57 -0.44 114.93 118.54 3h54 h MET 56 Ca 0.01 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 3h54 h MET 56 Cb 1.13 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.69 3h54 h MET 56 CO 0.11 0.64 0.43 0.93 1.06 0.00 0.00 176.91 180.08 3h54 h GLU 57 N 0.38 1.08 -0.47 1.72 5.08 -1.15 -0.49 114.58 120.73 3h54 h GLU 57 Ca 0.10 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3h54 h GLU 57 Cb 0.35 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3h54 h GLU 57 CO 0.01 0.80 0.05 0.52 -1.00 0.00 0.00 179.01 179.38 3h54 h MET 58 N 1.08 0.80 -0.49 2.33 2.86 -1.27 -1.50 114.93 118.74 3h54 h MET 58 Ca 0.27 -0.23 0.05 0.00 -2.06 0.00 0.00 59.70 57.73 3h54 h MET 58 Cb 0.03 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 3h54 h MET 58 CO -0.04 0.82 0.23 0.00 1.06 0.00 0.00 176.91 178.98 3h54 h ALA 59 N 0.94 0.61 -0.42 6.32 0.00 -0.83 0.01 119.26 125.90 3h54 h ALA 59 Ca 0.14 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3h54 h ALA 59 Cb 0.43 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3h54 h ALA 59 CO 0.01 -0.13 0.20 -0.44 0.00 0.00 0.00 179.25 178.89 3h54 h ASP 60 N 0.45 0.29 -0.71 0.00 3.32 -0.86 -0.99 116.42 117.92 3h54 h ASP 60 Ca 0.22 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.32 3h54 h ASP 60 Cb 0.16 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 3h54 h ASP 60 CO -0.17 0.21 0.45 0.03 -1.72 0.00 0.00 179.24 178.04 3h54 h ARG 61 N 0.41 0.87 -0.69 3.56 2.47 -0.81 -0.74 114.38 119.45 3h54 h ARG 61 Ca 0.18 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.79 3h54 h ARG 61 Cb 0.09 -0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.19 3h54 h ARG 61 CO -0.13 0.57 0.21 0.52 0.56 0.00 0.00 179.97 181.70 3h54 h MET 62 N 0.89 1.07 -0.31 0.04 2.86 -0.41 0.12 114.93 119.20 3h54 h MET 62 Ca 0.28 -0.23 -0.17 0.00 -2.06 0.00 0.00 59.70 57.52 3h54 h MET 62 Cb -0.02 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 3h54 h MET 62 CO -0.09 0.92 -0.49 0.00 1.06 0.00 0.00 176.91 178.31 3h54 h ALA 63 N 1.19 0.54 0.04 6.32 0.00 -0.94 -0.00 119.26 126.41 3h54 h ALA 63 Ca 0.22 -0.49 -0.32 0.00 0.00 0.00 0.00 54.91 54.32 3h54 h ALA 63 Cb 0.30 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3h54 h ALA 63 CO -0.01 0.68 -1.84 1.04 0.00 0.00 0.00 179.25 179.13 3h54 n GLN 64 N -4.02 0.67 -0.68 0.00 6.02 -0.31 -4.40 117.38 114.67 3h54 n GLN 64 Ca -0.03 0.27 0.08 0.00 -0.01 0.00 0.00 57.00 57.30 3h54 n GLN 64 Cb 0.60 -1.75 0.35 0.00 1.02 0.00 0.00 30.24 30.45 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 -3.17 4.82 0.00 1.08 9.92 0.40 -4.92 116.55 124.69 3h54 n ASP 65 Ca -0.23 -2.59 0.00 0.00 -0.53 0.00 0.00 54.79 51.44 3h54 n ASP 65 Cb 1.05 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 3h54 n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3h54 n GLY 66 N 0.87 1.42 0.21 0.44 0.00 -1.26 -4.95 105.19 101.92 3h54 n GLY 66 Ca 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.43 -0.73 1.61 4.06 -1.78 -1.53 115.95 117.16 3h54 h TRP 67 Ca 0.00 0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.92 3h54 h TRP 67 Cb 0.00 0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 28.33 3h54 h TRP 67 CO 0.00 -0.24 0.25 -0.09 -3.56 0.00 0.00 178.44 174.80 3h54 h ARG 68 N -0.24 1.11 0.00 0.49 2.43 -1.03 -1.28 114.38 115.85 3h54 h ARG 68 Ca 0.07 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 58.97 3h54 h ARG 68 Cb 0.34 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3h54 h ARG 68 CO -0.20 0.93 -0.25 -0.44 -1.51 0.00 0.00 179.97 178.50 3h54 h ASP 69 N 1.07 0.00 0.82 -3.80 3.32 -1.73 -2.11 116.42 113.99 3h54 h ASP 69 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3h54 h ASP 69 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3h54 h ASP 69 CO -0.01 0.25 -0.28 0.23 -1.72 0.00 0.00 179.24 177.70 3h54 n MET 70 N -3.56 0.06 0.00 3.56 2.81 -0.60 -4.94 117.12 114.44 3h54 n MET 70 Ca -0.01 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 3h54 n MET 70 Cb 0.39 -1.55 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 1.32 3.55 3.03 0.00 -0.79 -5.01 105.19 108.75 3h54 n GLY 71 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.88 2.03 -0.10 1.61 2.02 -0.52 -4.46 117.35 116.04 3h54 s TYR 72 Ca 0.00 0.24 0.10 0.00 -0.37 0.00 0.00 57.07 57.04 3h54 s TYR 72 Cb 0.00 -4.37 -0.14 0.00 -0.40 0.00 0.00 41.96 37.05 3h54 s TYR 72 CO 0.00 -2.12 0.05 0.25 -1.57 0.00 0.00 175.55 172.17 3h54 n THR 73 N 6.91 0.72 -2.91 -0.71 -2.24 -0.06 -3.52 114.28 112.47 3h54 n THR 73 Ca 0.17 -0.46 -0.40 0.00 -2.27 0.00 0.00 64.05 61.09 3h54 n THR 73 Cb 0.50 -0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.30 3.80 -0.30 4.78 2.02 -0.80 -0.14 117.35 124.41 3h54 s TYR 74 Ca -0.05 1.61 0.02 0.00 -0.37 0.00 0.00 57.07 58.27 3h54 s TYR 74 Cb 0.04 -2.87 0.09 0.00 -0.40 0.00 0.00 41.96 38.81 3h54 s TYR 74 CO 0.46 0.32 0.03 -1.17 -1.57 0.00 0.00 175.55 173.62 3h54 s LEU 75 N -0.32 3.33 -0.22 -1.29 1.98 0.41 -0.63 118.68 121.95 3h54 s LEU 75 Ca 0.40 -1.71 -0.05 0.00 -2.89 0.00 0.00 54.13 49.88 3h54 s LEU 75 Cb -0.22 -1.26 -0.02 0.00 0.66 0.00 0.00 46.19 45.35 3h54 s LEU 75 CO 0.26 -0.35 0.01 0.20 -1.89 0.00 0.00 176.35 174.57 3h54 s ASN 76 N 1.27 4.77 0.24 3.68 0.01 0.78 -1.04 114.94 124.64 3h54 s ASN 76 Ca 0.06 -0.25 -0.30 0.00 -0.71 0.00 0.00 52.86 51.66 3h54 s ASN 76 Cb -0.18 -1.83 -0.09 0.00 0.41 0.00 0.00 41.25 39.56 3h54 s ASN 76 CO -0.13 0.02 1.25 -0.63 -1.51 0.00 0.00 177.10 176.10 3h54 s ILE 77 N 1.27 3.20 0.00 0.60 1.01 -0.53 -2.16 121.20 124.59 3h54 s ILE 77 Ca 0.04 1.07 0.00 0.00 0.00 0.00 0.00 60.65 61.76 3h54 s ILE 77 Cb -0.15 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3h54 s ILE 77 CO 0.01 0.20 0.00 -0.67 0.00 0.00 0.00 174.94 174.48 3h54 n ASP 78 N 1.96 0.04 -4.64 3.58 -0.08 -1.26 -3.14 116.55 113.01 3h54 n ASP 78 Ca 0.03 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.01 3h54 n ASP 78 Cb 0.43 0.00 0.18 0.00 2.34 0.00 0.00 41.12 44.07 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 0.07 2.65 -0.28 1.67 -1.08 -1.26 -4.20 116.67 114.24 3h54 s ASP 79 Ca 0.00 1.92 0.00 0.00 -0.52 0.00 0.00 52.55 53.95 3h54 s ASP 79 Cb 0.00 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 3h54 s ASP 79 CO 0.00 -3.23 0.00 0.00 0.52 0.00 0.00 175.17 172.46 3h54 n TRP 81 N -3.54 0.25 -2.40 0.00 4.27 -1.26 -4.96 117.44 109.80 3h54 n TRP 81 Ca -0.03 0.08 -0.42 0.00 -3.89 0.00 0.00 57.50 53.24 3h54 n TRP 81 Cb 0.34 -0.77 -0.03 0.00 -1.36 0.00 0.00 31.31 29.49 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 -3.14 3.84 -0.15 -1.67 1.01 -1.26 -0.80 121.20 119.02 3h54 s ILE 82 Ca -0.07 1.40 -0.19 0.00 0.00 0.00 0.00 60.65 61.79 3h54 s ILE 82 Cb 0.11 -3.90 -0.16 0.00 0.01 0.00 0.00 42.46 38.52 3h54 s ILE 82 CO 0.86 0.16 0.36 1.23 0.00 0.00 0.00 174.94 177.54 3h54 h GLY 83 N 6.17 0.00 0.00 6.18 0.00 -0.25 -3.39 103.07 111.79 3h54 h GLY 83 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3h54 h GLY 83 CO 0.79 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.94 3h54 n GLY 84 N 1.60 -0.68 3.58 4.60 0.00 -1.13 -4.89 105.19 108.26 3h54 n GLY 84 Ca -0.13 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.36 2.74 0.03 1.61 0.52 -1.26 -0.77 118.95 121.46 3h54 s ARG 85 Ca 0.00 -0.56 -0.00 0.00 -0.52 0.00 0.00 55.73 54.65 3h54 s ARG 85 Cb 0.00 -2.58 0.01 0.00 0.52 0.00 0.00 34.95 32.90 3h54 s ARG 85 CO 0.00 0.66 0.03 -0.40 0.02 0.00 0.00 175.30 175.61 3h54 n ASP 86 N 2.24 -0.43 0.30 0.23 5.68 -0.38 -4.81 116.55 119.38 3h54 n ASP 86 Ca -0.18 -0.80 0.16 0.00 -0.50 0.00 0.00 54.79 53.47 3h54 n ASP 86 Cb 0.53 -0.03 0.94 0.00 -1.14 0.00 0.00 41.12 41.43 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 -2.00 1.37 -0.02 2.12 0.00 -2.01 -1.87 119.26 116.85 3h54 h ALA 87 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h54 h ALA 87 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3h54 h ALA 87 CO 0.01 0.02 -0.17 0.43 0.00 0.00 0.00 179.25 179.55 3h54 n SER 88 N -3.65 2.25 0.00 0.00 7.64 -1.26 -4.95 113.62 113.65 3h54 n SER 88 Ca -0.03 -1.65 0.00 0.00 1.01 0.00 0.00 58.87 58.20 3h54 n SER 88 Cb 0.11 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 1.34 0.74 3.69 0.23 0.00 -0.70 -5.04 105.19 105.45 3h54 n GLY 89 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.42 4.39 0.45 1.61 3.52 -1.26 -4.69 118.95 122.54 3h54 s ARG 90 Ca 0.00 1.55 -0.24 0.00 -0.13 0.00 0.00 55.73 56.91 3h54 s ARG 90 Cb 0.00 -3.54 -0.09 0.00 -1.56 0.00 0.00 34.95 29.76 3h54 s ARG 90 CO 0.00 -0.37 1.09 1.28 -0.81 0.00 0.00 175.30 176.49 3h54 n LEU 91 N 5.03 3.28 -3.96 -0.88 4.77 -1.26 -1.25 117.00 122.73 3h54 n LEU 91 Ca 0.10 1.03 -0.11 0.00 -0.03 0.00 0.00 56.01 56.99 3h54 n LEU 91 Cb 0.47 -1.41 -0.12 0.00 -2.33 0.00 0.00 43.42 40.03 3h54 n LEU 91 CO 0.54 -1.25 -0.37 0.00 -1.33 0.00 0.00 177.39 174.97 3h54 s MET 92 N -2.20 0.28 0.87 3.23 0.23 0.05 -4.84 119.30 116.93 3h54 s MET 92 Ca 0.64 -0.42 -0.12 0.00 -1.03 0.00 0.00 55.69 54.77 3h54 s MET 92 Cb -0.52 -0.07 0.12 0.00 -1.53 0.00 0.00 34.83 32.83 3h54 s MET 92 CO 0.56 0.00 1.11 -1.25 -2.03 0.00 0.00 175.02 173.41 3h54 s PRO 93 N -0.91 1.44 -0.02 3.16 0.04 -1.26 0.25 135.00 137.70 3h54 s PRO 93 Ca -0.08 0.56 -0.30 0.00 0.04 0.00 0.00 61.00 61.22 3h54 s PRO 93 Cb -0.06 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 3h54 s PRO 93 CO -0.00 -2.05 2.00 0.34 0.04 0.00 0.00 177.00 177.33 3h54 s ASP 94 N -3.79 6.27 0.24 6.66 -1.08 0.02 -3.55 116.67 121.44 3h54 s ASP 94 Ca 0.63 2.50 -0.07 0.00 -0.52 0.00 0.00 52.55 55.09 3h54 s ASP 94 Cb -0.16 -2.53 0.22 0.00 -1.46 0.00 0.00 42.92 39.00 3h54 s ASP 94 CO 0.55 -1.22 1.88 1.55 0.52 0.00 0.00 175.17 178.45 3h54 h PRO 95 N 11.38 1.26 -0.12 4.34 0.13 -1.92 0.37 132.00 147.44 3h54 h PRO 95 Ca -0.47 -0.11 -0.14 0.00 -0.87 0.00 0.00 66.00 64.40 3h54 h PRO 95 Cb 1.23 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 3h54 h PRO 95 CO 0.95 0.88 -0.53 0.87 -0.23 0.00 0.00 178.00 179.93 3h54 h LYS 96 N 1.27 0.34 0.00 0.86 1.57 -1.96 -2.88 116.57 115.78 3h54 h LYS 96 Ca 0.33 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3h54 h LYS 96 Cb -0.06 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3h54 h LYS 96 CO -0.06 0.79 -1.43 0.54 -0.57 0.00 0.00 179.45 178.71 3h54 n ARG 97 N -3.94 0.63 -3.19 3.15 1.74 -1.00 -4.44 116.66 109.61 3h54 n ARG 97 Ca -0.02 0.03 -0.24 0.00 -0.77 0.00 0.00 57.85 56.85 3h54 n ARG 97 Cb 0.57 -1.72 -0.06 0.00 -1.02 0.00 0.00 32.46 30.24 3h54 n ARG 97 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3h54 n PHE 98 N -2.58 1.83 0.03 -1.55 3.72 0.13 -0.60 117.46 118.43 3h54 n PHE 98 Ca -0.04 -3.88 0.04 0.00 -0.05 0.00 0.00 57.45 53.52 3h54 n PHE 98 Cb 0.62 -0.45 0.42 0.00 -0.94 0.00 0.00 39.48 39.13 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 3.56 0.48 0.00 -1.08 0.13 -1.72 -1.84 132.00 131.53 3h54 h PRO 99 Ca 0.12 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3h54 h PRO 99 Cb 0.76 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3h54 h PRO 99 CO 0.65 0.36 -0.27 0.72 -0.23 0.00 0.00 178.00 179.23 3h54 n HIS 100 N -4.45 0.02 0.00 1.56 8.25 -1.26 -5.04 115.22 114.30 3h54 n HIS 100 Ca 0.02 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3h54 n HIS 100 Cb 0.09 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 30.83 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 1.50 -0.53 0.20 -1.41 0.00 -0.69 -4.34 105.19 99.92 3h54 n GLY 101 Ca 0.06 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 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 1.27 -1.00 -0.61 1.08 -1.97 -3.03 117.51 113.26 3h54 h ILE 102 Ca 0.00 -1.11 0.17 0.00 -0.39 0.00 0.00 64.86 63.53 3h54 h ILE 102 Cb 0.00 1.29 -0.10 0.00 -3.07 0.00 0.00 36.82 34.94 3h54 h ILE 102 CO 0.00 0.36 0.61 -0.65 -0.69 0.00 0.00 178.15 177.79 3h54 h PRO 103 N 0.44 0.79 -0.26 2.37 0.11 -1.87 0.14 132.00 133.73 3h54 h PRO 103 Ca 0.09 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3h54 h PRO 103 Cb 0.56 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 3h54 h PRO 103 CO 0.03 0.52 0.17 0.35 -0.21 0.00 0.00 178.00 178.86 3h54 h PHE 104 N 0.82 0.32 -0.76 0.65 3.57 -1.74 -1.28 116.94 118.52 3h54 h PHE 104 Ca 0.56 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 62.05 3h54 h PHE 104 Cb 0.80 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 3h54 h PHE 104 CO -0.01 0.20 0.42 1.25 -2.23 0.00 0.00 178.31 177.94 3h54 h LEU 105 N 0.35 0.95 -0.52 0.59 5.85 -1.04 -0.88 115.31 120.61 3h54 h LEU 105 Ca 0.10 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3h54 h LEU 105 Cb -0.03 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 3h54 h LEU 105 CO -0.03 0.78 0.17 0.00 -0.34 0.00 0.00 178.44 179.02 3h54 h ALA 106 N 1.22 0.68 -0.22 1.25 0.00 -0.60 -0.19 119.26 121.40 3h54 h ALA 106 Ca 0.27 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3h54 h ALA 106 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3h54 h ALA 106 CO -0.04 0.34 0.07 -0.44 0.00 0.00 0.00 179.25 179.18 3h54 h ASP 107 N 0.71 0.08 0.04 0.00 3.32 -1.00 0.14 116.42 119.72 3h54 h ASP 107 Ca 0.17 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.26 3h54 h ASP 107 Cb 0.27 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3h54 h ASP 107 CO -0.01 0.08 -0.14 0.22 -1.72 0.00 0.00 179.24 177.67 3h54 h TYR 108 N 0.17 -0.36 -0.69 4.55 3.20 -0.86 -0.47 116.97 122.51 3h54 h TYR 108 Ca 0.09 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.00 3h54 h TYR 108 Cb 0.06 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 3h54 h TYR 108 CO -0.12 -0.21 0.43 0.28 -1.64 0.00 0.00 178.16 176.90 3h54 h VAL 109 N -0.25 1.09 -0.41 1.81 2.07 -0.85 -2.36 116.25 117.34 3h54 h VAL 109 Ca 0.04 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 3h54 h VAL 109 Cb 0.29 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3h54 h VAL 109 CO -0.11 0.15 0.04 0.45 0.02 0.00 0.00 177.57 178.13 3h54 h HIS 110 N 0.84 0.66 0.00 1.57 3.86 -0.35 -1.32 115.15 120.42 3h54 h HIS 110 Ca 0.28 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 3h54 h HIS 110 Cb 0.02 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 3h54 h HIS 110 CO -0.04 0.60 -0.24 0.66 0.86 0.00 0.00 177.93 179.77 3h54 h SER 111 N 0.61 0.00 -0.40 2.45 4.64 -0.56 -1.99 113.55 118.30 3h54 h SER 111 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3h54 h SER 111 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3h54 h SER 111 CO 0.01 0.24 0.00 0.18 -0.87 0.00 0.00 176.83 176.38 3h54 n LEU 112 N -3.55 2.39 -0.38 5.97 4.77 -1.07 -4.90 117.00 120.23 3h54 n LEU 112 Ca -0.01 -1.20 -0.05 0.00 -0.03 0.00 0.00 56.01 54.73 3h54 n LEU 112 Cb 0.39 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 3h54 n LEU 112 CO 0.33 0.53 -0.05 0.61 -1.33 0.00 0.00 177.39 177.49 3h54 n GLY 113 N 1.03 0.71 3.84 -0.72 0.00 -0.75 -4.79 105.19 104.52 3h54 n GLY 113 Ca 0.14 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.12 3.14 0.04 0.99 1.43 -0.52 -4.97 118.68 117.67 3h54 s LEU 114 Ca 0.00 -0.97 0.09 0.00 -1.03 0.00 0.00 54.13 52.22 3h54 s LEU 114 Cb 0.00 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 3h54 s LEU 114 CO 0.00 -0.72 -0.26 -0.54 0.23 0.00 0.00 176.35 175.06 3h54 s LYS 115 N -4.09 1.79 -0.23 1.70 1.02 0.80 -3.70 119.74 117.02 3h54 s LYS 115 Ca 0.43 -1.08 -0.09 0.00 0.02 0.00 0.00 55.97 55.25 3h54 s LYS 115 Cb -0.01 -1.94 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 3h54 s LYS 115 CO 0.25 0.50 0.12 -1.17 -0.92 0.00 0.00 175.35 174.13 3h54 s LEU 116 N -1.17 3.87 0.23 3.17 2.96 -1.26 -0.44 118.68 126.04 3h54 s LEU 116 Ca 0.11 0.02 0.04 0.00 -0.22 0.00 0.00 54.13 54.08 3h54 s LEU 116 Cb -0.10 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 3h54 s LEU 116 CO 0.02 0.06 0.37 -0.83 -1.32 0.00 0.00 176.35 174.65 3h54 s GLY 117 N 1.05 1.38 0.23 7.98 0.00 -0.21 0.06 107.32 117.81 3h54 s GLY 117 Ca 0.06 -1.12 -0.01 0.00 0.00 0.00 0.00 44.72 43.64 3h54 s GLY 117 CO 0.04 -1.12 0.21 -1.50 0.00 0.00 0.00 173.10 170.73 3h54 s ILE 118 N -1.96 0.00 -0.01 0.90 2.07 0.20 -1.46 121.20 120.94 3h54 s ILE 118 Ca 0.35 -1.90 0.05 0.00 -1.41 0.00 0.00 60.65 57.74 3h54 s ILE 118 Cb -0.10 -2.47 -0.01 0.00 0.13 0.00 0.00 42.46 40.01 3h54 s ILE 118 CO 0.30 0.00 -0.16 -0.47 -1.91 0.00 0.00 174.94 172.69 3h54 s TYR 119 N -3.98 1.46 0.21 3.50 5.04 -1.19 -0.63 117.35 121.77 3h54 s TYR 119 Ca 0.37 -0.28 -0.08 0.00 -2.44 0.00 0.00 57.07 54.64 3h54 s TYR 119 Cb 0.05 -0.94 -0.02 0.00 0.35 0.00 0.00 41.96 41.40 3h54 s TYR 119 CO 0.14 -0.03 0.31 0.00 -1.34 0.00 0.00 175.55 174.63 3h54 s ALA 120 N -0.36 0.28 -0.10 3.97 0.00 -0.30 -4.93 121.76 120.34 3h54 s ALA 120 Ca 0.06 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.88 3h54 s ALA 120 Cb -0.06 1.11 0.02 0.00 0.00 0.00 0.00 23.12 24.18 3h54 s ALA 120 CO -0.01 -0.71 -0.13 0.34 0.00 0.00 0.00 175.76 175.25 3h54 s ASP 121 N -3.05 2.21 -1.14 0.00 -1.08 -1.26 -0.11 116.67 112.23 3h54 s ASP 121 Ca 0.26 -0.37 -0.21 0.00 -0.52 0.00 0.00 52.55 51.71 3h54 s ASP 121 Cb 0.03 -0.98 0.06 0.00 -1.46 0.00 0.00 42.92 40.57 3h54 s ASP 121 CO 0.07 0.00 1.57 -0.32 0.52 0.00 0.00 175.17 177.02 3h54 s MET 122 N 0.99 3.76 0.00 4.34 -2.45 0.22 0.20 119.30 126.36 3h54 s MET 122 Ca -0.07 -1.51 0.00 0.00 -1.25 0.00 0.00 55.69 52.86 3h54 s MET 122 Cb -0.15 -5.43 0.00 0.00 1.25 0.00 0.00 34.83 30.50 3h54 s MET 122 CO -0.01 -2.23 0.00 0.41 1.05 0.00 0.00 175.02 174.24 3h54 n GLY 123 N 6.23 -1.67 0.31 2.11 0.00 -1.00 -4.51 105.19 106.66 3h54 n GLY 123 Ca 0.40 -1.19 -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 0.99 -5.19 1.61 2.35 -0.93 -3.08 115.58 111.34 3h54 h ASN 124 Ca 0.00 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.40 3h54 h ASN 124 Cb 0.00 -0.26 -0.14 0.00 0.05 0.00 0.00 38.32 37.96 3h54 h ASN 124 CO 0.00 1.01 -0.49 -0.36 -1.65 0.00 0.00 177.43 175.94 3h54 s PHE 125 N -5.11 0.30 0.90 1.19 0.40 -1.26 -1.88 117.98 112.53 3h54 s PHE 125 Ca -0.11 -0.77 -0.11 0.00 -0.60 0.00 0.00 56.93 55.33 3h54 s PHE 125 Cb 0.14 -0.19 0.13 0.00 0.51 0.00 0.00 43.02 43.62 3h54 s PHE 125 CO 0.84 -0.48 1.09 0.95 0.70 0.00 0.00 175.22 178.33 3h54 s THR 126 N -3.86 2.63 0.58 0.64 -4.23 0.79 -4.37 115.64 107.82 3h54 s THR 126 Ca 0.06 0.20 0.28 0.00 -1.18 0.00 0.00 61.69 61.04 3h54 s THR 126 Cb 0.06 -2.65 0.35 0.00 1.34 0.00 0.00 72.50 71.61 3h54 s THR 126 CO -0.10 -0.27 2.13 0.00 -0.54 0.00 0.00 174.62 175.84 3h54 n MET 128 N -3.92 2.39 -0.55 0.00 2.81 -1.26 -4.94 117.12 111.65 3h54 n MET 128 Ca 0.01 -2.16 0.00 0.00 -1.81 0.00 0.00 57.70 53.74 3h54 n MET 128 Cb 0.27 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 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 1.46 0.72 3.85 3.03 0.00 0.11 -5.04 105.19 109.31 3h54 n GLY 129 Ca 0.20 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 3.34 -0.05 1.61 2.02 -1.25 -4.70 117.35 116.32 3h54 s TYR 130 Ca 0.00 1.30 -0.36 0.00 -0.37 0.00 0.00 57.07 57.63 3h54 s TYR 130 Cb 0.00 -2.85 -0.14 0.00 -0.40 0.00 0.00 41.96 38.57 3h54 s TYR 130 CO 0.00 -1.03 1.65 -2.30 -1.57 0.00 0.00 175.55 172.30 3h54 n PRO 131 N -2.97 1.63 -2.45 -1.71 -0.02 -1.26 -0.15 135.00 128.07 3h54 n PRO 131 Ca 0.07 0.60 -0.28 0.00 -2.02 0.00 0.00 63.50 61.86 3h54 n PRO 131 Cb 0.54 -2.33 0.01 0.00 -0.02 0.00 0.00 33.50 31.70 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 2.44 1.54 -0.85 -1.23 0.00 -0.79 -4.44 107.32 104.00 3h54 s GLY 132 Ca 0.90 -0.45 -0.17 0.00 0.00 0.00 0.00 44.72 44.99 3h54 s GLY 132 CO 0.52 -0.25 0.95 -1.59 0.00 0.00 0.00 173.10 172.72 3h54 s THR 133 N -2.87 5.05 0.89 0.90 2.01 0.13 -4.84 115.64 116.91 3h54 s THR 133 Ca 0.50 -1.81 -0.12 0.00 0.31 0.00 0.00 61.69 60.57 3h54 s THR 133 Cb -0.10 -4.63 0.12 0.00 0.01 0.00 0.00 72.50 67.89 3h54 s THR 133 CO 0.47 -1.29 1.12 0.42 -0.69 0.00 0.00 174.62 174.65 3h54 s THR 134 N 1.80 2.31 0.32 -0.82 -4.23 -1.21 -2.36 115.64 111.44 3h54 s THR 134 Ca 0.25 0.10 0.07 0.00 -1.18 0.00 0.00 61.69 60.93 3h54 s THR 134 Cb -0.09 -2.82 0.31 0.00 1.34 0.00 0.00 72.50 71.24 3h54 s THR 134 CO -0.07 -0.13 1.79 -0.07 -0.54 0.00 0.00 174.62 175.60 3h54 h LEU 135 N -1.42 0.76 -0.05 4.79 3.38 -1.94 0.11 115.31 120.94 3h54 h LEU 135 Ca -0.50 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3h54 h LEU 135 Cb 1.31 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3h54 h LEU 135 CO 0.61 0.29 -0.00 -0.90 0.09 0.00 0.00 178.44 178.52 3h54 n ASP 136 N -4.71 0.08 -0.00 -0.43 5.75 -1.26 -3.23 116.55 112.75 3h54 n ASP 136 Ca 0.22 -0.79 0.04 0.00 -0.01 0.00 0.00 54.79 54.25 3h54 n ASP 136 Cb 0.56 -0.07 -0.05 0.00 -1.03 0.00 0.00 41.12 40.52 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 -1.02 3.64 -0.03 0.11 4.76 0.30 -4.77 118.16 121.15 3h54 n LYS 137 Ca 0.21 -0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.53 3h54 n LYS 137 Cb 0.16 -0.96 -0.05 0.00 -1.84 0.00 0.00 35.03 32.33 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 0.00 0.16 -0.00 -0.18 2.07 -1.36 0.48 116.25 117.42 3h54 h VAL 138 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3h54 h VAL 138 Cb 0.24 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3h54 h VAL 138 CO 0.00 0.00 -0.03 0.58 0.02 0.00 0.00 177.57 178.14 3h54 h VAL 139 N -0.44 0.93 -0.41 2.57 2.07 -1.86 -0.86 116.25 118.25 3h54 h VAL 139 Ca 0.09 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.65 3h54 h VAL 139 Cb 0.61 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3h54 h VAL 139 CO -0.44 0.00 0.19 -0.61 0.02 0.00 0.00 177.57 176.74 3h54 h GLN 140 N -0.05 0.38 -0.62 1.57 4.15 -1.78 -0.54 115.11 118.23 3h54 h GLN 140 Ca 0.01 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.33 3h54 h GLN 140 Cb 0.07 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 3h54 h GLN 140 CO -0.03 0.25 0.07 -0.44 -1.93 0.00 0.00 178.83 176.75 3h54 h ASP 141 N 0.39 1.01 -0.47 -0.69 3.45 -0.79 -0.44 116.42 118.89 3h54 h ASP 141 Ca 0.18 -0.28 0.05 0.00 0.43 0.00 0.00 57.03 57.41 3h54 h ASP 141 Cb 0.10 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 38.56 3h54 h ASP 141 CO -0.14 1.03 0.21 0.00 -1.57 0.00 0.00 179.24 178.78 3h54 h ALA 142 N 1.01 0.59 -0.41 3.45 0.00 -0.69 -0.35 119.26 122.86 3h54 h ALA 142 Ca 0.18 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3h54 h ALA 142 Cb 0.48 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3h54 h ALA 142 CO 0.02 -0.15 -0.17 1.96 0.00 0.00 0.00 179.25 180.91 3h54 h GLN 143 N 0.42 0.78 -0.15 0.00 4.20 -0.86 -1.86 115.11 117.64 3h54 h GLN 143 Ca 0.21 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 3h54 h GLN 143 Cb 0.15 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3h54 h GLN 143 CO -0.17 0.89 0.09 1.15 -0.67 0.00 0.00 178.83 180.12 3h54 h THR 144 N 0.69 1.08 -0.74 -0.54 2.02 -0.66 0.65 112.91 115.41 3h54 h THR 144 Ca 0.11 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 3h54 h THR 144 Cb 0.66 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 3h54 h THR 144 CO 0.05 0.08 0.35 -0.26 0.37 0.00 0.00 175.52 176.11 3h54 h PHE 145 N 0.16 1.08 -0.26 3.16 0.04 -0.92 -0.59 116.94 119.62 3h54 h PHE 145 Ca 0.06 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3h54 h PHE 145 Cb 0.05 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 3h54 h PHE 145 CO -0.05 0.80 0.12 0.00 -0.60 0.00 0.00 178.31 178.58 3h54 h ALA 146 N 1.18 0.34 -0.99 2.45 0.00 -1.20 -0.62 119.26 120.42 3h54 h ALA 146 Ca 0.25 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3h54 h ALA 146 Cb 0.13 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3h54 h ALA 146 CO -0.03 -0.09 0.65 0.93 0.00 0.00 0.00 179.25 180.70 3h54 h GLU 147 N 0.28 1.23 0.00 0.00 5.08 -0.60 -0.62 114.58 119.96 3h54 h GLU 147 Ca 0.09 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3h54 h GLU 147 Cb 0.13 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.11 3h54 h GLU 147 CO -0.01 0.81 0.00 0.91 -1.00 0.00 0.00 179.01 179.72 3h54 n TRP 148 N -4.44 0.75 -2.95 4.33 8.01 -0.25 -4.89 117.44 117.99 3h54 n TRP 148 Ca 0.13 0.30 -0.11 0.00 -1.31 0.00 0.00 57.50 56.51 3h54 n TRP 148 Cb 0.08 -0.99 0.03 0.00 -2.01 0.00 0.00 31.31 28.42 3h54 n TRP 148 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3h54 n LYS 149 N -2.19 -3.50 -2.25 -0.99 5.02 -0.24 -4.47 118.16 109.54 3h54 n LYS 149 Ca 0.02 0.39 -0.36 0.00 -2.02 0.00 0.00 58.31 56.34 3h54 n LYS 149 Cb 0.20 -4.12 -0.00 0.00 -0.02 0.00 0.00 35.03 31.10 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 -3.10 3.12 -0.18 -0.18 1.01 -0.30 -4.80 120.40 115.98 3h54 s VAL 150 Ca 0.25 0.75 0.09 0.00 0.00 0.00 0.00 61.98 63.08 3h54 s VAL 150 Cb -0.11 -3.34 -0.12 0.00 0.00 0.00 0.00 36.38 32.81 3h54 s VAL 150 CO 0.31 -0.10 0.27 0.47 0.00 0.00 0.00 175.10 176.06 3h54 n ASP 151 N -0.98 1.87 -3.76 3.32 8.00 0.11 -4.77 116.55 120.33 3h54 n ASP 151 Ca 0.10 -0.30 -0.13 0.00 0.71 0.00 0.00 54.79 55.17 3h54 n ASP 151 Cb 0.50 1.24 -0.10 0.00 -0.02 0.00 0.00 41.12 42.73 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 -2.28 0.43 -0.08 -1.24 1.75 -1.03 -0.70 119.30 116.15 3h54 s MET 152 Ca -0.00 0.40 0.03 0.00 -1.25 0.00 0.00 55.69 54.87 3h54 s MET 152 Cb 0.06 0.21 0.00 0.00 2.84 0.00 0.00 34.83 37.94 3h54 s MET 152 CO 0.37 -0.06 -0.19 -1.17 -0.65 0.00 0.00 175.02 173.31 3h54 s LEU 153 N 0.01 1.91 -0.27 4.11 2.96 0.73 -0.63 118.68 127.50 3h54 s LEU 153 Ca -0.02 -0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 53.34 3h54 s LEU 153 Cb -0.03 -1.17 -0.05 0.00 0.50 0.00 0.00 46.19 45.45 3h54 s LEU 153 CO 0.01 0.12 0.16 -0.75 -1.32 0.00 0.00 176.35 174.57 3h54 s LYS 154 N 0.42 3.90 -0.37 1.98 2.20 0.20 -0.32 119.74 127.75 3h54 s LYS 154 Ca -0.16 -0.35 -0.07 0.00 -0.36 0.00 0.00 55.97 55.03 3h54 s LYS 154 Cb -0.17 -3.58 0.06 0.00 -1.51 0.00 0.00 37.83 32.63 3h54 s LYS 154 CO 0.06 -0.17 0.16 -1.17 -0.36 0.00 0.00 175.35 173.88 3h54 s LEU 155 N 1.69 4.69 0.77 5.43 2.96 0.33 -1.14 118.68 133.40 3h54 s LEU 155 Ca 0.07 -1.37 -0.10 0.00 -0.22 0.00 0.00 54.13 52.51 3h54 s LEU 155 Cb -0.16 -1.90 0.07 0.00 0.50 0.00 0.00 46.19 44.71 3h54 s LEU 155 CO 0.09 -0.42 1.12 -0.62 -1.32 0.00 0.00 176.35 175.20 3h54 s ASP 156 N 1.68 4.68 -0.09 3.68 -1.08 0.84 -1.93 116.67 124.45 3h54 s ASP 156 Ca 0.01 0.71 0.16 0.00 -0.52 0.00 0.00 52.55 52.90 3h54 s ASP 156 Cb -0.21 -1.27 0.34 0.00 -1.46 0.00 0.00 42.92 40.31 3h54 s ASP 156 CO 0.02 -1.76 1.16 0.61 0.52 0.00 0.00 175.17 175.71 3h54 n GLY 157 N -3.17 3.00 3.78 2.66 0.00 -1.26 0.70 105.19 110.91 3h54 n GLY 157 Ca 0.08 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.43 -1.93 -4.09 0.00 3.01 -1.26 -4.15 117.46 106.61 3h54 n PHE 159 Ca 0.10 0.83 -0.08 0.00 1.01 0.00 0.00 57.45 59.31 3h54 n PHE 159 Cb 0.52 -4.06 -0.10 0.00 -0.01 0.00 0.00 39.48 35.83 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 -4.07 0.37 0.37 4.37 1.04 -1.26 -0.44 113.70 114.08 3h54 s SER 160 Ca 0.19 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.60 3h54 s SER 160 Cb -0.10 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 3h54 s SER 160 CO 0.84 -0.67 0.56 0.42 0.98 0.00 0.00 173.24 175.36 3h54 s THR 161 N -3.97 4.55 0.28 2.02 -4.23 -1.26 -4.98 115.64 108.05 3h54 s THR 161 Ca 0.14 -0.63 -0.00 0.00 -1.18 0.00 0.00 61.69 60.02 3h54 s THR 161 Cb 0.07 -3.65 0.28 0.00 1.34 0.00 0.00 72.50 70.55 3h54 s THR 161 CO -0.05 -0.38 1.87 -0.65 -0.54 0.00 0.00 174.62 174.86 3h54 h PRO 162 N 0.70 1.04 -0.44 3.99 0.11 -1.99 -2.06 132.00 133.35 3h54 h PRO 162 Ca -0.48 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3h54 h PRO 162 Cb 1.24 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3h54 h PRO 162 CO 0.58 0.69 0.29 0.93 -0.21 0.00 0.00 178.00 180.28 3h54 h GLU 163 N 1.07 0.58 -0.91 1.05 5.08 -1.99 -0.85 114.58 118.62 3h54 h GLU 163 Ca 0.46 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.80 3h54 h GLU 163 Cb 0.32 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 3h54 h GLU 163 CO -0.21 0.38 0.59 0.93 -1.00 0.00 0.00 179.01 179.71 3h54 h GLU 164 N 0.59 1.15 -0.41 2.33 5.08 -1.82 -1.44 114.58 120.07 3h54 h GLU 164 Ca 0.16 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 3h54 h GLU 164 Cb -0.07 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.92 3h54 h GLU 164 CO -0.03 0.76 -0.31 0.00 -1.00 0.00 0.00 179.01 178.42 3h54 h ARG 165 N 1.18 0.93 -0.44 2.33 3.08 -1.16 0.42 114.38 120.72 3h54 h ARG 165 Ca 0.35 -0.46 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3h54 h ARG 165 Cb -0.07 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3h54 h ARG 165 CO -0.10 1.11 0.19 0.00 -1.07 0.00 0.00 179.97 180.11 3h54 h ALA 166 N 0.80 1.52 0.17 0.04 0.00 -0.80 -1.88 119.26 119.10 3h54 h ALA 166 Ca 0.08 -0.11 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 3h54 h ALA 166 Cb 0.90 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.52 3h54 h ALA 166 CO 0.08 0.38 -1.41 1.96 0.00 0.00 0.00 179.25 180.27 3h54 h GLN 167 N 0.62 0.36 -0.17 0.00 4.20 -1.20 -3.41 115.11 115.50 3h54 h GLN 167 Ca 0.15 -0.62 -0.16 0.00 0.06 0.00 0.00 58.65 58.08 3h54 h GLN 167 Cb 0.10 0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3h54 h GLN 167 CO -0.02 1.30 -0.53 0.78 -0.67 0.00 0.00 178.83 179.68 3h54 h GLY 168 N 0.16 0.73 0.85 3.46 0.00 0.10 -2.45 103.07 105.92 3h54 h GLY 168 Ca -0.27 -0.95 -0.02 0.00 0.00 0.00 0.00 47.33 46.08 3h54 h GLY 168 CO 0.16 0.85 0.04 -0.97 0.00 0.00 0.00 176.54 176.62 3h54 h TYR 169 N 0.35 0.38 -0.11 5.60 0.05 -1.57 -0.20 116.97 121.47 3h54 h TYR 169 Ca -0.02 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.66 3h54 h TYR 169 Cb 1.16 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.78 3h54 h TYR 169 CO 0.09 0.48 -0.19 -1.35 -1.05 0.00 0.00 178.16 176.14 3h54 h PRO 170 N 0.17 0.18 -0.58 4.88 0.11 -1.79 -1.95 132.00 133.01 3h54 h PRO 170 Ca 0.07 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 3h54 h PRO 170 Cb 0.30 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 3h54 h PRO 170 CO 0.00 0.37 0.34 -0.22 -0.21 0.00 0.00 178.00 178.28 3h54 h LYS 171 N 0.17 0.80 -0.34 1.05 3.64 -1.02 -0.77 116.57 120.10 3h54 h LYS 171 Ca 0.03 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 3h54 h LYS 171 Cb 0.44 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3h54 h LYS 171 CO 0.03 0.59 -0.33 1.98 -2.27 0.00 0.00 179.45 179.45 3h54 h MET 172 N 0.79 0.82 -0.23 1.90 4.05 -0.84 -0.06 114.93 121.36 3h54 h MET 172 Ca 0.21 -0.43 0.04 0.00 -0.28 0.00 0.00 59.70 59.24 3h54 h MET 172 Cb 0.01 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.78 3h54 h MET 172 CO -0.04 1.06 -0.01 0.00 0.23 0.00 0.00 176.91 178.15 3h54 h ALA 173 N 0.74 0.19 -0.19 0.39 0.00 -1.20 0.30 119.26 119.50 3h54 h ALA 173 Ca 0.05 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3h54 h ALA 173 Cb 0.91 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3h54 h ALA 173 CO 0.08 -0.44 0.06 0.00 0.00 0.00 0.00 179.25 178.96 3h54 h ALA 174 N 1.20 0.21 -0.71 0.00 0.00 -1.07 -1.36 119.26 117.53 3h54 h ALA 174 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3h54 h ALA 174 Cb 0.14 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3h54 h ALA 174 CO -0.19 -0.36 0.45 0.00 0.00 0.00 0.00 179.25 179.14 3h54 h ALA 175 N 1.12 0.90 -0.66 0.00 0.00 -0.55 0.80 119.26 120.86 3h54 h ALA 175 Ca 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3h54 h ALA 175 Cb 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3h54 h ALA 175 CO -0.08 0.35 0.31 -0.07 0.00 0.00 0.00 179.25 179.76 3h54 h LEU 176 N 0.96 0.87 -0.50 0.00 3.38 -0.28 -2.52 115.31 117.22 3h54 h LEU 176 Ca 0.26 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3h54 h LEU 176 Cb -0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3h54 h LEU 176 CO -0.05 0.76 0.27 -1.13 0.09 0.00 0.00 178.44 178.38 3h54 h ASN 177 N 0.92 0.62 0.62 -0.43 -0.73 -0.62 -2.91 115.58 113.05 3h54 h ASN 177 Ca 0.23 -0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.30 3h54 h ASN 177 Cb 0.13 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.56 3h54 h ASN 177 CO -0.03 0.54 -0.01 0.00 -0.37 0.00 0.00 177.43 177.56 3h54 h ALA 178 N 1.11 1.02 0.00 1.57 0.00 -0.54 -1.84 119.26 120.58 3h54 h ALA 178 Ca 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3h54 h ALA 178 Cb 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3h54 h ALA 178 CO -0.03 0.01 -0.22 1.79 0.00 0.00 0.00 179.25 180.80 3h54 h THR 179 N 0.00 0.59 0.00 0.00 1.35 -1.25 -3.47 112.91 110.14 3h54 h THR 179 Ca -0.00 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 3h54 h THR 179 Cb 0.32 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3h54 h THR 179 CO 0.00 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 3h54 n GLY 180 N 0.01 3.07 3.71 5.82 0.00 -0.69 -5.02 105.19 112.08 3h54 n GLY 180 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.34 4.48 -0.23 1.61 3.52 -1.26 -5.01 118.95 121.73 3h54 s ARG 181 Ca 0.00 1.16 -0.29 0.00 -0.13 0.00 0.00 55.73 56.48 3h54 s ARG 181 Cb 0.00 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 3h54 s ARG 181 CO 0.00 -0.04 1.76 -2.14 -0.81 0.00 0.00 175.30 174.07 3h54 s PRO 182 N 1.05 3.64 -0.16 5.12 0.02 -1.26 -4.80 135.00 138.61 3h54 s PRO 182 Ca 0.45 1.72 0.00 0.00 0.02 0.00 0.00 61.00 63.19 3h54 s PRO 182 Cb -0.19 -4.12 0.03 0.00 0.02 0.00 0.00 34.50 30.23 3h54 s PRO 182 CO 0.22 -1.50 -0.13 0.42 -0.33 0.00 0.00 177.00 175.69 3h54 s ILE 183 N 5.90 1.53 0.26 2.83 1.01 -1.26 -4.80 121.20 126.67 3h54 s ILE 183 Ca 0.78 -0.68 -0.31 0.00 0.00 0.00 0.00 60.65 60.44 3h54 s ILE 183 Cb -0.27 -1.49 -0.12 0.00 0.01 0.00 0.00 42.46 40.60 3h54 s ILE 183 CO 0.32 0.38 1.65 0.00 0.00 0.00 0.00 174.94 177.29 3h54 s ALA 184 N 1.49 3.82 -0.28 9.38 0.00 0.12 -4.80 121.76 131.49 3h54 s ALA 184 Ca 0.04 1.58 -0.01 0.00 0.00 0.00 0.00 51.96 53.57 3h54 s ALA 184 Cb -0.14 -3.67 0.05 0.00 0.00 0.00 0.00 23.12 19.36 3h54 s ALA 184 CO -0.10 -0.97 -0.03 0.12 0.00 0.00 0.00 175.76 174.78 3h54 s PHE 185 N 0.45 3.22 -0.31 0.00 5.36 -1.26 -0.19 117.98 125.24 3h54 s PHE 185 Ca 0.68 -1.89 -0.09 0.00 -0.96 0.00 0.00 56.93 54.67 3h54 s PHE 185 Cb -0.49 -2.07 -0.00 0.00 -0.34 0.00 0.00 43.02 40.13 3h54 s PHE 185 CO 0.42 -0.80 0.15 0.45 -1.46 0.00 0.00 175.22 173.98 3h54 s SER 186 N 1.24 5.51 -0.21 6.13 0.15 0.56 -0.48 113.70 126.61 3h54 s SER 186 Ca -0.05 -0.60 -0.05 0.00 0.70 0.00 0.00 55.95 55.96 3h54 s SER 186 Cb -0.19 -1.99 -0.02 0.00 -1.71 0.00 0.00 66.02 62.11 3h54 s SER 186 CO -0.02 -0.21 -0.01 0.00 1.20 0.00 0.00 173.24 174.19 3h54 n SER 188 N 4.41 1.06 -0.39 0.00 7.64 -0.81 -1.36 113.62 124.17 3h54 n SER 188 Ca -0.17 -1.13 -0.08 0.00 1.01 0.00 0.00 58.87 58.50 3h54 n SER 188 Cb 0.52 0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.69 3h54 n SER 188 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3h54 h TRP 189 N 1.52 -1.60 -0.25 1.43 7.01 -1.81 -1.49 115.95 120.75 3h54 h TRP 189 Ca 0.00 0.12 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 3h54 h TRP 189 Cb 0.43 0.83 -0.01 0.00 -2.10 0.00 0.00 29.16 28.31 3h54 h TRP 189 CO 0.00 -0.39 0.13 -1.00 -2.79 0.00 0.00 178.44 174.39 3h54 h PRO 190 N -0.03 0.34 -0.17 2.65 0.13 -1.80 -1.62 132.00 131.51 3h54 h PRO 190 Ca 0.22 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 65.36 3h54 h PRO 190 Cb 0.49 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 3h54 h PRO 190 CO -0.93 0.26 0.12 0.00 -0.23 0.00 0.00 178.00 177.22 3h54 h ALA 191 N 1.80 2.08 -0.18 -0.56 0.00 -0.50 -0.23 119.26 121.67 3h54 h ALA 191 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3h54 h ALA 191 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3h54 h ALA 191 CO -0.01 -0.12 0.00 0.66 0.00 0.00 0.00 179.25 179.78 3h54 n TYR 192 N -4.50 0.24 -1.03 0.00 4.01 -0.61 -3.96 117.16 111.31 3h54 n TYR 192 Ca 0.01 -0.12 0.02 0.00 -0.16 0.00 0.00 57.90 57.65 3h54 n TYR 192 Cb 0.21 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.27 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 0.12 1.05 -0.63 -0.72 -0.58 -0.31 -4.98 120.64 114.59 3h54 n GLU 193 Ca 0.12 -1.39 0.00 0.00 -0.42 0.00 0.00 57.16 55.48 3h54 n GLU 193 Cb 0.24 -0.87 0.00 0.00 -0.57 0.00 0.00 31.44 30.24 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 -0.48 1.57 2.70 0.62 0.00 -1.15 -4.32 105.19 104.13 3h54 n GLY 194 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.36 3.17 -0.02 0.00 -0.25 -4.98 105.19 101.47 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 2.35 0.73 0.99 1.43 -1.26 -4.93 118.68 117.99 3h54 s LEU 196 Ca 0.00 -0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 52.23 3h54 s LEU 196 Cb 0.00 -0.39 0.04 0.00 0.03 0.00 0.00 46.19 45.87 3h54 s LEU 196 CO 0.00 -0.18 1.17 -2.16 0.23 0.00 0.00 176.35 175.41 3h54 s PRO 197 N -2.35 2.24 0.36 1.29 0.04 -1.24 -1.06 135.00 134.28 3h54 s PRO 197 Ca 0.02 1.62 0.24 0.00 0.04 0.00 0.00 61.00 62.91 3h54 s PRO 197 Cb -0.06 -1.86 0.39 0.00 0.04 0.00 0.00 34.50 33.01 3h54 s PRO 197 CO 0.01 -1.73 1.57 -1.00 0.04 0.00 0.00 177.00 175.89 3h54 h PRO 198 N -0.36 0.00 -0.92 0.56 0.13 -2.01 -3.44 132.00 125.95 3h54 h PRO 198 Ca -0.47 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.78 3h54 h PRO 198 Cb 1.28 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 3h54 h PRO 198 CO 0.50 0.00 0.59 0.00 -0.23 0.00 0.00 178.00 178.86 3h54 h ARG 199 N 0.00 0.82 -5.24 0.86 3.08 -1.85 -3.37 114.38 108.68 3h54 h ARG 199 Ca 0.00 -0.05 -0.61 0.00 0.07 0.00 0.00 59.98 59.39 3h54 h ARG 199 Cb 0.94 -0.19 -0.13 0.00 0.08 0.00 0.00 29.97 30.68 3h54 h ARG 199 CO 0.00 0.55 -0.44 0.08 -1.07 0.00 0.00 179.97 179.09 3h54 s VAL 200 N -5.81 5.35 -0.68 2.04 1.01 -0.22 -5.01 120.40 117.08 3h54 s VAL 200 Ca -0.11 0.30 -0.10 0.00 0.00 0.00 0.00 61.98 62.07 3h54 s VAL 200 Cb 0.22 -3.54 0.18 0.00 0.00 0.00 0.00 36.38 33.23 3h54 s VAL 200 CO 0.80 0.37 0.57 -1.58 0.00 0.00 0.00 175.10 175.26 3h54 s GLN 201 N 0.81 3.06 0.47 2.72 0.74 -1.26 -3.62 119.66 122.58 3h54 s GLN 201 Ca 0.10 -2.27 0.22 0.00 0.05 0.00 0.00 55.36 53.47 3h54 s GLN 201 Cb -0.13 -4.14 1.19 0.00 1.10 0.00 0.00 33.01 31.03 3h54 s GLN 201 CO 0.03 -1.25 1.98 1.88 -0.55 0.00 0.00 175.29 177.39 3h54 h TYR 202 N 7.84 0.00 -0.53 1.67 0.05 -1.96 -1.82 116.97 122.21 3h54 h TYR 202 Ca -0.03 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.70 3h54 h TYR 202 Cb 1.03 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.75 3h54 h TYR 202 CO 0.84 0.19 0.14 0.66 -1.05 0.00 0.00 178.16 178.95 3h54 h SER 203 N 0.00 0.80 -0.25 3.88 4.64 -1.98 -0.66 113.55 119.99 3h54 h SER 203 Ca -0.00 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.04 3h54 h SER 203 Cb 0.45 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3h54 h SER 203 CO 0.02 0.81 -0.05 0.25 -0.87 0.00 0.00 176.83 177.00 3h54 h LEU 204 N 0.75 0.47 -0.70 5.97 5.85 -1.84 -2.89 115.31 122.92 3h54 h LEU 204 Ca 0.17 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.58 3h54 h LEU 204 Cb 0.32 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 3h54 h LEU 204 CO -0.00 0.72 0.42 -0.07 -0.34 0.00 0.00 178.44 179.17 3h54 h LEU 205 N 0.22 0.66 -1.31 2.25 3.38 -1.22 -0.68 115.31 118.60 3h54 h LEU 205 Ca 0.06 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.12 3h54 h LEU 205 Cb 0.51 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 3h54 h LEU 205 CO 0.02 0.44 0.51 0.00 0.09 0.00 0.00 178.44 179.50 3h54 h ALA 206 N 1.33 1.67 0.00 1.53 0.00 -1.12 0.11 119.26 122.78 3h54 h ALA 206 Ca 0.30 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 3h54 h ALA 206 Cb 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3h54 h ALA 206 CO -0.15 0.20 -0.60 -0.44 0.00 0.00 0.00 179.25 178.26 3h54 h ASP 207 N 0.82 0.00 0.00 0.00 5.19 -0.95 0.63 116.42 122.11 3h54 h ASP 207 Ca 0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 3h54 h ASP 207 Cb 0.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.79 3h54 h ASP 207 CO -0.12 0.60 -1.08 2.30 -3.12 0.00 0.00 179.24 177.82 3h54 n ILE 208 N -3.56 0.00 -4.22 0.35 -5.35 -0.53 -4.43 119.36 101.63 3h54 n ILE 208 Ca -0.00 -0.25 -0.20 0.00 -0.27 0.00 0.00 62.75 62.02 3h54 n ILE 208 Cb 0.66 0.59 -0.12 0.00 -1.74 0.00 0.00 39.64 39.03 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 4.23 0.00 -4.83 0.00 -0.26 -0.92 -0.63 115.58 113.18 3h54 h ASN 210 Ca -0.43 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.36 3h54 h ASN 210 Cb 1.19 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 38.31 3h54 h ASN 210 CO 0.40 0.75 0.35 -1.48 -1.06 0.00 0.00 177.43 176.39 3h54 s LEU 211 N -6.56 -0.47 -0.09 1.61 2.34 -1.03 -1.09 118.68 113.39 3h54 s LEU 211 Ca 0.02 -0.00 -0.07 0.00 0.06 0.00 0.00 54.13 54.14 3h54 s LEU 211 Cb 0.09 2.33 0.03 0.00 -0.56 0.00 0.00 46.19 48.07 3h54 s LEU 211 CO 0.78 -0.80 0.23 -1.66 -1.06 0.00 0.00 176.35 173.84 3h54 s TRP 212 N -3.45 -0.27 -0.49 3.48 -2.14 -0.77 -0.72 118.94 114.59 3h54 s TRP 212 Ca 0.03 0.65 -0.28 0.00 2.66 0.00 0.00 56.10 59.16 3h54 s TRP 212 Cb -0.01 0.07 0.01 0.00 -3.10 0.00 0.00 33.47 30.44 3h54 s TRP 212 CO -0.11 -0.15 1.43 1.03 -2.66 0.00 0.00 176.95 176.49 3h54 s ARG 213 N 0.47 3.41 0.17 3.25 1.81 -0.46 -0.73 118.95 126.88 3h54 s ARG 213 Ca -0.03 0.71 0.09 0.00 -1.72 0.00 0.00 55.73 54.77 3h54 s ARG 213 Cb -0.04 -4.09 -0.04 0.00 -0.45 0.00 0.00 34.95 30.34 3h54 s ARG 213 CO -0.02 -1.78 1.38 -0.91 -0.68 0.00 0.00 175.30 173.28 3h54 h ASN 214 N 11.04 0.00 -2.26 0.23 4.21 -1.87 -2.05 115.58 124.88 3h54 h ASN 214 Ca -0.27 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.19 3h54 h ASN 214 Cb 1.10 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.29 3h54 h ASN 214 CO 1.13 0.86 -0.04 0.00 -1.29 0.00 0.00 177.43 178.09 3h54 n TYR 215 N -3.46 -0.08 -1.55 1.19 9.36 -1.26 -3.51 117.16 117.84 3h54 n TYR 215 Ca -0.00 -0.26 -0.37 0.00 3.32 0.00 0.00 57.90 60.59 3h54 n TYR 215 Cb 0.84 0.03 0.07 0.00 -0.63 0.00 0.00 39.34 39.65 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 -2.86 1.11 -4.73 2.98 8.00 -1.26 -4.85 116.55 114.94 3h54 n ASP 216 Ca 0.01 0.76 -0.42 0.00 0.71 0.00 0.00 54.79 55.84 3h54 n ASP 216 Cb 0.06 -1.46 -0.03 0.00 -0.02 0.00 0.00 41.12 39.67 3h54 n ASP 216 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3h54 s ASP 217 N -1.46 6.38 0.36 -2.24 1.11 -1.26 -4.91 116.67 114.65 3h54 s ASP 217 Ca 0.78 2.88 -0.28 0.00 0.18 0.00 0.00 52.55 56.11 3h54 s ASP 217 Cb -0.37 -2.61 -0.10 0.00 1.07 0.00 0.00 42.92 40.90 3h54 s ASP 217 CO 0.46 -0.96 1.38 -0.51 1.18 0.00 0.00 175.17 176.72 3h54 s ILE 218 N 0.92 2.44 0.26 0.77 2.07 -1.26 -5.05 121.20 121.35 3h54 s ILE 218 Ca 0.72 0.44 0.11 0.00 -1.41 0.00 0.00 60.65 60.51 3h54 s ILE 218 Cb -0.49 -3.27 -0.05 0.00 0.13 0.00 0.00 42.46 38.77 3h54 s ILE 218 CO 0.35 0.10 -0.19 -1.10 -1.91 0.00 0.00 174.94 172.20 3h54 s GLN 219 N -1.97 1.59 -1.15 3.50 -1.52 -1.26 -5.00 119.66 113.85 3h54 s GLN 219 Ca 0.51 -1.72 -0.19 0.00 -1.95 0.00 0.00 55.36 52.01 3h54 s GLN 219 Cb -0.42 -1.62 -0.04 0.00 -0.22 0.00 0.00 33.01 30.71 3h54 s GLN 219 CO 0.56 0.30 2.00 -3.47 -0.25 0.00 0.00 175.29 174.43 3h54 n ASP 220 N -0.55 3.47 -3.51 5.90 2.03 -1.26 -4.65 116.55 117.99 3h54 n ASP 220 Ca -0.06 -2.78 -0.16 0.00 0.52 0.00 0.00 54.79 52.32 3h54 n ASP 220 Cb 0.60 -1.50 -0.05 0.00 -0.72 0.00 0.00 41.12 39.45 3h54 n ASP 220 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3h54 s SER 221 N 4.49 -0.60 0.25 1.67 1.04 -1.26 -4.07 113.70 115.21 3h54 s SER 221 Ca 0.55 0.52 -0.02 0.00 0.48 0.00 0.00 55.95 57.48 3h54 s SER 221 Cb 0.10 0.52 0.30 0.00 0.10 0.00 0.00 66.02 67.04 3h54 s SER 221 CO 0.04 -0.65 1.71 -0.25 0.98 0.00 0.00 173.24 175.07 3h54 h TRP 222 N 2.72 0.80 -0.78 5.02 -0.00 -1.87 -2.67 115.95 119.17 3h54 h TRP 222 Ca -0.27 -0.14 0.11 0.00 -0.00 0.00 0.00 58.89 58.58 3h54 h TRP 222 Cb 1.18 -0.21 -0.08 0.00 -0.00 0.00 0.00 29.16 30.06 3h54 h TRP 222 CO 0.34 0.81 0.41 2.35 -0.00 0.00 0.00 178.44 182.34 3h54 h TRP 223 N 0.66 0.73 -0.24 2.65 7.01 -1.96 0.05 115.95 124.85 3h54 h TRP 223 Ca 0.11 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 3h54 h TRP 223 Cb 0.58 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.42 3h54 h TRP 223 CO 0.03 0.25 0.03 1.03 -2.79 0.00 0.00 178.44 176.99 3h54 h SER 224 N 0.66 0.38 -0.30 2.65 0.87 -1.76 -0.82 113.55 115.22 3h54 h SER 224 Ca 0.39 -0.27 0.06 0.00 -1.23 0.00 0.00 61.79 60.75 3h54 h SER 224 Cb 0.44 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.23 3h54 h SER 224 CO -0.29 0.55 -0.09 0.58 -0.53 0.00 0.00 176.83 177.05 3h54 h VAL 225 N 0.20 0.65 -0.90 2.23 2.07 -1.11 -2.09 116.25 117.31 3h54 h VAL 225 Ca 0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3h54 h VAL 225 Cb 0.34 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3h54 h VAL 225 CO 0.01 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 178.07 3h54 h LEU 226 N -0.03 1.08 -0.91 2.57 3.38 -0.80 -1.04 115.31 119.56 3h54 h LEU 226 Ca 0.15 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3h54 h LEU 226 Cb 0.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3h54 h LEU 226 CO -0.33 0.83 -0.19 0.77 0.09 0.00 0.00 178.44 179.61 3h54 h SER 227 N 1.23 0.58 0.10 -0.43 4.64 -0.87 0.73 113.55 119.55 3h54 h SER 227 Ca 0.32 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 3h54 h SER 227 Cb -0.05 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 3h54 h SER 227 CO -0.06 0.78 -0.05 0.40 -0.87 0.00 0.00 176.83 177.03 3h54 h ILE 228 N 0.52 1.10 -0.38 0.95 2.04 -1.04 -2.58 117.51 118.12 3h54 h ILE 228 Ca 0.08 -0.86 0.08 0.00 1.00 0.00 0.00 64.86 65.16 3h54 h ILE 228 Cb 0.62 1.64 -0.08 0.00 -0.74 0.00 0.00 36.82 38.25 3h54 h ILE 228 CO 0.04 0.21 -0.20 -0.07 0.00 0.00 0.00 178.15 178.13 3h54 h LEU 229 N -0.55 -0.68 -0.42 1.44 3.38 -1.05 -0.92 115.31 116.51 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 0.44 0.36 -0.08 0.00 0.09 0.00 0.00 40.66 41.48 3h54 h LEU 229 CO 0.02 -0.23 -0.06 -1.13 0.09 0.00 0.00 178.44 177.14 3h54 h ASN 230 N -0.14 -0.29 -0.42 -0.43 -1.24 -0.88 0.33 115.58 112.52 3h54 h ASN 230 Ca 0.19 0.11 -0.03 0.00 0.71 0.00 0.00 56.30 57.28 3h54 h ASN 230 Cb 0.43 0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.68 3h54 h ASN 230 CO -0.47 -0.10 0.13 -0.25 -1.29 0.00 0.00 177.43 175.45 3h54 h TRP 231 N 0.05 0.67 -0.12 0.67 7.01 -1.01 0.19 115.95 123.41 3h54 h TRP 231 Ca 0.21 -0.07 -0.04 0.00 2.11 0.00 0.00 58.89 61.09 3h54 h TRP 231 Cb 0.31 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 3h54 h TRP 231 CO -0.33 0.62 -0.13 0.74 -2.79 0.00 0.00 178.44 176.55 3h54 h PHE 232 N 0.53 0.19 0.25 2.65 0.04 -0.71 -2.45 116.94 117.45 3h54 h PHE 232 Ca 0.13 -0.02 -0.34 0.00 2.80 0.00 0.00 57.97 60.55 3h54 h PHE 232 Cb 0.27 -0.05 0.04 0.00 2.20 0.00 0.00 35.95 38.40 3h54 h PHE 232 CO 0.01 0.32 -1.50 0.28 -0.60 0.00 0.00 178.31 176.82 3h54 h VAL 233 N 0.18 1.26 -0.55 -0.55 2.07 -0.45 -1.73 116.25 116.48 3h54 h VAL 233 Ca 0.04 -2.68 0.07 0.00 0.82 0.00 0.00 66.70 64.94 3h54 h VAL 233 Cb 0.35 3.03 -0.03 0.00 -1.52 0.00 0.00 31.29 33.12 3h54 h VAL 233 CO 0.02 0.81 0.37 -0.33 0.02 0.00 0.00 177.57 178.46 3h54 h GLU 234 N 0.14 0.44 -0.12 1.57 5.08 -0.55 -2.94 114.58 118.20 3h54 h GLU 234 Ca -0.27 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 3h54 h GLU 234 Cb 2.17 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 31.31 3h54 h GLU 234 CO 0.27 0.29 -0.05 0.72 -1.00 0.00 0.00 179.01 179.24 3h54 n HIS 235 N -4.47 0.43 0.19 4.33 8.25 -0.93 -4.75 115.22 118.27 3h54 n HIS 235 Ca 0.08 -1.07 0.04 0.00 -0.26 0.00 0.00 57.72 56.52 3h54 n HIS 235 Cb 0.28 -0.25 0.46 0.00 1.12 0.00 0.00 29.99 31.60 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 0.80 0.06 -0.74 -0.41 3.07 -1.12 -0.74 115.11 116.04 3h54 h GLN 236 Ca 0.02 -0.01 0.11 0.00 0.09 0.00 0.00 58.65 58.86 3h54 h GLN 236 Cb 1.22 -0.01 -0.05 0.00 0.08 0.00 0.00 27.48 28.72 3h54 h GLN 236 CO 0.12 0.25 0.49 -0.44 0.09 0.00 0.00 178.83 179.33 3h54 h ASP 237 N 0.06 0.53 0.15 0.06 3.32 -1.85 0.86 116.42 119.56 3h54 h ASP 237 Ca 0.01 0.02 -0.29 0.00 0.02 0.00 0.00 57.03 56.79 3h54 h ASP 237 Cb 0.36 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.82 3h54 h ASP 237 CO 0.02 0.31 -1.45 0.40 -1.72 0.00 0.00 179.24 176.80 3h54 h ILE 238 N 0.59 1.07 0.12 0.35 2.04 -1.73 -3.42 117.51 116.53 3h54 h ILE 238 Ca 0.35 -2.47 -0.32 0.00 1.00 0.00 0.00 64.86 63.43 3h54 h ILE 238 Cb 0.57 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.44 3h54 h ILE 238 CO -0.12 0.76 -1.61 -0.07 0.00 0.00 0.00 178.15 177.11 3h54 h LEU 239 N -0.16 0.40 -0.47 1.44 3.38 -0.74 -3.37 115.31 115.79 3h54 h LEU 239 Ca -0.30 -0.59 0.05 0.00 0.09 0.00 0.00 57.88 57.13 3h54 h LEU 239 Cb 1.88 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 42.45 3h54 h LEU 239 CO 0.12 1.50 0.20 -0.61 0.09 0.00 0.00 178.44 179.74 3h54 h GLN 240 N 0.07 0.39 0.00 1.13 -0.00 -1.09 -3.07 115.11 112.54 3h54 h GLN 240 Ca -0.27 -0.02 -0.07 0.00 -0.00 0.00 0.00 58.65 58.29 3h54 h GLN 240 Cb 2.03 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 29.41 3h54 h GLN 240 CO 0.15 0.26 -0.32 -1.35 0.00 0.00 0.00 178.83 177.57 3h54 h PRO 241 N 0.40 0.00 0.00 -2.39 0.11 -1.77 -3.20 132.00 125.15 3h54 h PRO 241 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3h54 h PRO 241 Cb 0.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.29 3h54 h PRO 241 CO -0.19 0.32 0.00 1.33 -0.21 0.00 0.00 178.00 179.25 3h54 n VAL 242 N -3.58 0.27 -3.13 3.15 0.24 -1.16 -4.80 118.33 109.31 3h54 n VAL 242 Ca -0.01 -0.08 -0.35 0.00 -2.04 0.00 0.00 64.34 61.86 3h54 n VAL 242 Cb 0.45 -0.57 -0.06 0.00 -1.47 0.00 0.00 33.84 32.19 3h54 n VAL 242 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h54 s ALA 243 N -3.04 3.41 0.00 2.33 0.00 -1.21 -4.79 121.76 118.46 3h54 s ALA 243 Ca 0.12 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.20 3h54 s ALA 243 Cb 0.16 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.50 3h54 s ALA 243 CO 0.54 0.34 0.00 0.41 0.00 0.00 0.00 175.76 177.05 3h54 n GLY 244 N 0.56 -1.74 3.70 0.00 0.00 -0.02 -4.62 105.19 103.08 3h54 n GLY 244 Ca -0.02 -1.12 -0.58 0.00 0.00 0.00 0.00 46.02 44.30 3h54 n GLY 244 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h54 n PRO 245 N -0.35 1.02 -0.14 1.61 -0.02 -1.26 -0.64 135.00 135.23 3h54 n PRO 245 Ca 0.00 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3h54 n PRO 245 Cb 0.00 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 3.99 1.29 3.03 -1.23 0.00 0.59 -4.86 105.19 107.99 3h54 n GLY 246 Ca 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.63 -1.39 0.05 1.61 -3.43 0.18 -0.96 115.29 108.71 3h54 s HIS 247 Ca 0.00 0.79 0.07 0.00 -0.80 0.00 0.00 55.06 55.12 3h54 s HIS 247 Cb 0.00 0.11 -0.03 0.00 -1.43 0.00 0.00 32.58 31.23 3h54 s HIS 247 CO 0.00 -1.00 -0.19 -1.58 -2.00 0.00 0.00 174.74 169.97 3h54 s TRP 248 N 2.69 2.53 0.27 0.38 0.52 -0.25 -0.84 118.94 124.25 3h54 s TRP 248 Ca 0.11 -0.27 -0.29 0.00 0.02 0.00 0.00 56.10 55.66 3h54 s TRP 248 Cb -0.12 -1.45 -0.10 0.00 -1.15 0.00 0.00 33.47 30.66 3h54 s TRP 248 CO -0.27 0.25 1.22 -0.80 0.02 0.00 0.00 176.95 177.37 3h54 s ASN 249 N -1.46 7.01 -0.33 2.95 0.01 -1.26 -1.84 114.94 120.02 3h54 s ASN 249 Ca 0.14 2.44 0.03 0.00 -0.71 0.00 0.00 52.86 54.76 3h54 s ASN 249 Cb -0.10 -2.63 0.09 0.00 0.41 0.00 0.00 41.25 39.02 3h54 s ASN 249 CO 0.05 -0.37 0.04 -0.62 -1.51 0.00 0.00 177.10 174.69 3h54 s ASP 250 N -0.42 4.78 0.00 -1.22 -1.08 0.09 -4.39 116.67 114.43 3h54 s ASP 250 Ca 0.49 -2.00 0.11 0.00 -0.52 0.00 0.00 52.55 50.63 3h54 s ASP 250 Cb -0.36 -1.64 0.50 0.00 -1.46 0.00 0.00 42.92 39.96 3h54 s ASP 250 CO 0.44 -0.36 1.34 -0.81 0.52 0.00 0.00 175.17 176.30 3h54 n PRO 251 N 4.33 1.28 0.00 4.34 -0.04 -1.26 -3.40 135.00 140.24 3h54 n PRO 251 Ca 0.00 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.04 3h54 n PRO 251 Cb 0.42 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 3h54 n PRO 251 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3h54 n ASP 252 N -0.25 0.00 -4.72 3.54 -0.08 -1.26 -4.75 116.55 109.03 3h54 n ASP 252 Ca 0.09 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 53.03 3h54 n ASP 252 Cb 0.13 0.00 0.10 0.00 2.34 0.00 0.00 41.12 43.69 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 -1.03 1.98 0.28 -0.67 -1.94 -1.26 -4.86 119.30 111.80 3h54 s MET 253 Ca 0.00 1.72 -0.29 0.00 -1.71 0.00 0.00 55.69 55.41 3h54 s MET 253 Cb 0.00 -1.82 -0.09 0.00 2.01 0.00 0.00 34.83 34.93 3h54 s MET 253 CO 0.00 -1.94 1.06 -0.51 -0.01 0.00 0.00 175.02 173.61 3h54 s LEU 254 N -5.37 4.56 0.00 -0.03 1.43 -0.09 -4.96 118.68 114.21 3h54 s LEU 254 Ca 0.73 2.18 0.23 0.00 -1.03 0.00 0.00 54.13 56.24 3h54 s LEU 254 Cb -0.28 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.32 3h54 s LEU 254 CO 0.47 -0.09 1.11 0.18 0.23 0.00 0.00 176.35 178.26 3h54 n LEU 255 N 1.20 1.87 -4.69 1.79 4.77 -1.26 -3.41 117.00 117.27 3h54 n LEU 255 Ca -0.01 -0.70 -0.44 0.00 -0.03 0.00 0.00 56.01 54.83 3h54 n LEU 255 Cb 0.46 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 3h54 n LEU 255 CO 0.53 0.35 1.33 -0.38 -1.33 0.00 0.00 177.39 177.89 3h54 n ILE 256 N -0.20 0.13 0.00 -0.08 5.41 -1.26 -1.61 119.36 121.76 3h54 n ILE 256 Ca 0.09 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.82 3h54 n ILE 256 Cb 0.45 -1.82 0.00 0.00 -0.71 0.00 0.00 39.64 37.56 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 3.84 0.74 0.00 7.39 0.00 -1.26 -4.76 105.19 111.14 3h54 n GLY 257 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.63 -4.77 115.26 114.45 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 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 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 0.05 3.10 3.72 -1.26 -4.76 117.46 118.31 3h54 n PHE 259 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 3h54 n PHE 259 Cb 0.00 -0.42 -0.08 0.00 -0.94 0.00 0.00 39.48 38.04 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 1.72 0.00 -5.80 1.37 0.00 -1.91 -3.46 103.07 94.98 3h54 h GLY 260 Ca -0.22 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.48 3h54 h GLY 260 CO 0.01 0.00 -0.41 1.08 0.00 0.00 0.00 176.54 177.22 3h54 s LEU 261 N -6.23 4.31 1.13 3.11 1.43 -1.26 -4.33 118.68 116.84 3h54 s LEU 261 Ca -0.01 0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 53.39 3h54 s LEU 261 Cb 0.09 -2.21 0.25 0.00 0.03 0.00 0.00 46.19 44.35 3h54 s LEU 261 CO 0.80 0.26 1.13 -0.94 0.23 0.00 0.00 176.35 177.83 3h54 s SER 262 N -0.28 1.54 0.11 2.29 1.04 -1.26 -4.74 113.70 112.40 3h54 s SER 262 Ca 0.14 0.71 -0.23 0.00 0.48 0.00 0.00 55.95 57.05 3h54 s SER 262 Cb -0.13 -1.03 -0.09 0.00 0.10 0.00 0.00 66.02 64.88 3h54 s SER 262 CO 0.03 -3.75 1.70 0.25 0.98 0.00 0.00 173.24 172.45 3h54 h LEU 263 N -2.33 -0.26 -0.87 2.42 5.85 -1.99 0.23 115.31 118.37 3h54 h LEU 263 Ca -0.47 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.34 3h54 h LEU 263 Cb 1.30 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.39 3h54 h LEU 263 CO 0.40 -0.13 0.55 -0.33 -0.34 0.00 0.00 178.44 178.59 3h54 h GLU 264 N -0.15 1.00 -0.14 1.25 4.39 -1.91 -1.17 114.58 117.85 3h54 h GLU 264 Ca 0.04 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 3h54 h GLU 264 Cb 0.20 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3h54 h GLU 264 CO -0.10 0.66 -0.45 1.96 -1.16 0.00 0.00 179.01 179.92 3h54 h GLN 265 N 1.02 0.34 -0.30 2.33 4.20 -1.50 -0.42 115.11 120.78 3h54 h GLN 265 Ca 0.36 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 3h54 h GLN 265 Cb 0.10 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3h54 h GLN 265 CO -0.15 0.72 -0.01 0.77 -0.67 0.00 0.00 178.83 179.50 3h54 h SER 266 N 0.27 0.53 0.17 1.46 0.02 -0.23 -1.24 113.55 114.53 3h54 h SER 266 Ca 0.02 -0.31 -0.08 0.00 -0.84 0.00 0.00 61.79 60.57 3h54 h SER 266 Cb 0.90 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 3h54 h SER 266 CO 0.07 0.71 -0.30 0.03 -1.14 0.00 0.00 176.83 176.21 3h54 h ARG 267 N 0.33 0.21 -0.10 3.45 3.08 -1.09 -2.75 114.38 117.52 3h54 h ARG 267 Ca 0.08 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3h54 h ARG 267 Cb 0.45 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 3h54 h ARG 267 CO 0.02 0.50 -0.02 0.00 -1.07 0.00 0.00 179.97 179.40 3h54 h ALA 268 N 1.51 0.13 -0.55 0.04 0.00 -0.78 -2.33 119.26 117.28 3h54 h ALA 268 Ca 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3h54 h ALA 268 Cb 0.63 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3h54 h ALA 268 CO 0.05 -0.15 0.34 0.37 0.00 0.00 0.00 179.25 179.86 3h54 h GLN 269 N -0.13 0.75 -0.41 0.00 4.15 -1.17 0.20 115.11 118.49 3h54 h GLN 269 Ca 0.03 -0.06 0.04 0.00 0.77 0.00 0.00 58.65 59.42 3h54 h GLN 269 Cb 0.41 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.90 3h54 h GLN 269 CO 0.01 0.53 0.18 1.98 -1.93 0.00 0.00 178.83 179.60 3h54 h MET 270 N 0.75 0.35 -0.43 1.69 4.05 -1.48 0.93 114.93 120.79 3h54 h MET 270 Ca 0.20 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.53 3h54 h MET 270 Cb -0.03 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.68 3h54 h MET 270 CO -0.04 0.23 -0.00 0.00 0.23 0.00 0.00 176.91 177.33 3h54 h ALA 271 N 1.24 0.58 -0.05 0.39 0.00 -1.08 -2.00 119.26 118.35 3h54 h ALA 271 Ca 0.18 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 3h54 h ALA 271 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3h54 h ALA 271 CO -0.16 0.37 -0.84 -0.07 0.00 0.00 0.00 179.25 178.56 3h54 h LEU 272 N 0.60 0.56 -1.04 0.00 3.38 -0.70 -1.48 115.31 116.62 3h54 h LEU 272 Ca 0.12 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 3h54 h LEU 272 Cb 0.49 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3h54 h LEU 272 CO 0.02 1.18 -0.37 -0.50 0.09 0.00 0.00 178.44 178.86 3h54 h TRP 273 N 0.28 0.24 -0.08 1.13 -0.00 -0.84 -2.35 115.95 114.33 3h54 h TRP 273 Ca -0.06 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.89 58.76 3h54 h TRP 273 Cb 1.45 -0.06 -0.00 0.00 -0.00 0.00 0.00 29.16 30.55 3h54 h TRP 273 CO 0.06 0.55 -0.02 1.15 -0.00 0.00 0.00 178.44 180.18 3h54 h THR 274 N 0.18 1.29 0.00 1.49 2.02 -1.08 -1.12 112.91 115.68 3h54 h THR 274 Ca 0.02 -0.92 -0.02 0.00 0.77 0.00 0.00 66.41 66.26 3h54 h THR 274 Cb 0.73 1.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.89 3h54 h THR 274 CO 0.06 0.26 -0.11 -0.37 0.37 0.00 0.00 175.52 175.73 3h54 h VAL 275 N -0.18 0.38 -0.13 3.16 -1.51 -1.22 -2.35 116.25 114.40 3h54 h VAL 275 Ca 0.02 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 3h54 h VAL 275 Cb 0.41 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 3h54 h VAL 275 CO 0.01 0.10 0.00 0.18 -1.23 0.00 0.00 177.57 176.63 3h54 n LEU 276 N -3.40 0.99 -4.02 4.19 4.77 -0.89 0.29 117.00 118.92 3h54 n LEU 276 Ca -0.01 -0.44 -0.29 0.00 -0.03 0.00 0.00 56.01 55.23 3h54 n LEU 276 Cb 0.28 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 3h54 n LEU 276 CO 0.29 0.22 -0.11 0.00 -1.33 0.00 0.00 177.39 176.46 3h54 n ALA 277 N -0.07 -1.67 -2.15 -1.18 0.00 -0.88 -4.63 120.51 109.93 3h54 n ALA 277 Ca 0.12 -0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 3h54 n ALA 277 Cb 0.20 -2.59 -0.03 0.00 0.00 0.00 0.00 19.45 17.03 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 -3.63 3.31 0.46 0.00 0.00 -0.44 -4.72 121.76 116.74 3h54 s ALA 278 Ca 0.33 -0.19 -0.23 0.00 0.00 0.00 0.00 51.96 51.87 3h54 s ALA 278 Cb -0.18 -2.75 -0.09 0.00 0.00 0.00 0.00 23.12 20.10 3h54 s ALA 278 CO 0.89 -0.10 1.11 -2.30 0.00 0.00 0.00 175.76 175.35 3h54 n PRO 279 N -1.50 1.48 -3.39 0.00 -0.02 -1.26 -4.83 135.00 125.47 3h54 n PRO 279 Ca 0.03 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 3h54 n PRO 279 Cb 0.54 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 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 0.10 5.14 -4.20 2.45 4.77 0.11 -4.89 117.00 120.48 3h54 n LEU 280 Ca 0.09 -5.12 -0.40 0.00 -0.03 0.00 0.00 56.01 50.56 3h54 n LEU 280 Cb 0.41 -1.28 -0.09 0.00 -2.33 0.00 0.00 43.42 40.13 3h54 n LEU 280 CO 0.56 1.51 -0.08 -0.76 -1.33 0.00 0.00 177.39 177.30 3h54 s LEU 281 N -1.63 5.46 0.68 2.23 1.43 -1.26 -1.11 118.68 124.48 3h54 s LEU 281 Ca 0.30 -1.84 -0.15 0.00 -1.03 0.00 0.00 54.13 51.42 3h54 s LEU 281 Cb -0.05 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.21 3h54 s LEU 281 CO -0.06 -0.62 1.14 -0.04 0.23 0.00 0.00 176.35 177.00 3h54 s MET 282 N 1.33 2.59 -0.41 1.70 -1.94 0.56 -0.91 119.30 122.22 3h54 s MET 282 Ca 0.05 1.52 0.05 0.00 -1.71 0.00 0.00 55.69 55.61 3h54 s MET 282 Cb -0.25 -1.91 0.17 0.00 2.01 0.00 0.00 34.83 34.85 3h54 s MET 282 CO -0.01 -1.44 0.49 0.45 -0.01 0.00 0.00 175.02 174.50 3h54 s SER 283 N -2.36 0.19 0.09 3.03 0.15 -1.22 0.45 113.70 114.02 3h54 s SER 283 Ca 0.70 -1.66 -0.25 0.00 0.70 0.00 0.00 55.95 55.43 3h54 s SER 283 Cb -0.23 0.95 0.08 0.00 -1.71 0.00 0.00 66.02 65.11 3h54 s SER 283 CO 0.42 -0.19 0.70 0.28 1.20 0.00 0.00 173.24 175.65 3h54 s THR 284 N 1.22 0.00 -0.66 6.45 -1.32 -1.26 -3.91 115.64 116.15 3h54 s THR 284 Ca 0.21 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.42 3h54 s THR 284 Cb -0.08 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.92 3h54 s THR 284 CO -0.06 0.00 1.52 -0.62 -2.21 0.00 0.00 174.62 173.25 3h54 s ASP 285 N -2.57 5.82 0.11 8.08 -1.08 -1.26 -4.84 116.67 120.94 3h54 s ASP 285 Ca 0.02 -0.03 0.18 0.00 -0.52 0.00 0.00 52.55 52.19 3h54 s ASP 285 Cb -0.01 -2.55 0.76 0.00 -1.46 0.00 0.00 42.92 39.67 3h54 s ASP 285 CO -0.10 -2.02 1.56 0.18 0.52 0.00 0.00 175.17 175.30 3h54 n LEU 286 N 10.68 0.28 0.10 -1.34 4.77 -1.26 -1.99 117.00 128.24 3h54 n LEU 286 Ca 0.11 0.57 -0.04 0.00 -0.03 0.00 0.00 56.01 56.63 3h54 n LEU 286 Cb 0.50 -0.54 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3h54 n LEU 286 CO 0.71 -0.39 0.33 0.03 -1.33 0.00 0.00 177.39 176.74 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 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3h54 h ARG 287 CO 0.00 0.79 0.00 0.25 -1.07 0.00 0.00 179.97 179.94 3h54 n THR 288 N -3.56 0.31 -1.68 2.04 -2.24 -1.07 -5.06 114.28 103.02 3h54 n THR 288 Ca -0.00 -0.63 -0.45 0.00 -2.27 0.00 0.00 64.05 60.70 3h54 n THR 288 Cb 0.77 0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 69.85 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 0.75 -1.99 2.28 3.06 -0.84 -4.96 119.36 117.51 3h54 n ILE 289 Ca 0.00 -0.19 -0.33 0.00 -2.50 0.00 0.00 62.75 59.73 3h54 n ILE 289 Cb 0.09 -1.54 0.02 0.00 0.54 0.00 0.00 39.64 38.76 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 0.45 5.51 0.36 9.51 1.04 -1.26 -4.86 113.70 124.45 3h54 s SER 290 Ca 0.70 1.97 0.08 0.00 0.48 0.00 0.00 55.95 59.18 3h54 s SER 290 Cb -0.64 -2.55 0.80 0.00 0.10 0.00 0.00 66.02 63.73 3h54 s SER 290 CO 0.47 -1.36 1.91 0.00 0.98 0.00 0.00 173.24 175.24 3h54 h ALA 291 N 0.46 1.80 -0.36 5.32 0.00 -1.98 0.28 119.26 124.78 3h54 h ALA 291 Ca -0.48 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 3h54 h ALA 291 Cb 1.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3h54 h ALA 291 CO 0.56 0.01 0.07 0.37 0.00 0.00 0.00 179.25 180.26 3h54 h GLN 292 N 0.70 0.59 -0.11 0.00 4.15 -1.99 0.15 115.11 118.61 3h54 h GLN 292 Ca 0.39 -0.15 -0.15 0.00 0.77 0.00 0.00 58.65 59.52 3h54 h GLN 292 Cb 0.56 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 3h54 h GLN 292 CO -0.16 0.65 -0.57 -0.91 -1.93 0.00 0.00 178.83 175.91 3h54 h ASN 293 N 0.44 0.39 -0.67 -0.69 2.35 -1.83 -2.77 115.58 112.80 3h54 h ASN 293 Ca 0.11 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 3h54 h ASN 293 Cb 0.33 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 3h54 h ASN 293 CO 0.00 0.87 0.27 -0.03 -1.65 0.00 0.00 177.43 176.90 3h54 h MET 294 N 0.26 0.99 -0.73 0.81 4.05 -0.68 -2.38 114.93 117.25 3h54 h MET 294 Ca 0.00 -0.18 0.02 0.00 -0.28 0.00 0.00 59.70 59.26 3h54 h MET 294 Cb 1.08 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.68 3h54 h MET 294 CO 0.09 0.82 0.49 -0.44 0.23 0.00 0.00 176.91 178.11 3h54 h ASP 295 N 0.94 0.81 0.77 1.39 3.32 -0.56 1.00 116.42 124.09 3h54 h ASP 295 Ca 0.22 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 3h54 h ASP 295 Cb 0.20 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.56 3h54 h ASP 295 CO -0.02 0.57 -0.37 0.40 -1.72 0.00 0.00 179.24 178.11 3h54 h ILE 296 N 0.95 0.00 0.00 0.35 2.04 -1.25 -2.83 117.51 116.77 3h54 h ILE 296 Ca 0.28 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 3h54 h ILE 296 Cb -0.04 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.04 3h54 h ILE 296 CO -0.07 0.00 -0.14 -0.07 0.00 0.00 0.00 178.15 177.87 3h54 h LEU 297 N -1.22 0.00 -3.27 1.44 3.38 -1.16 -2.58 115.31 111.90 3h54 h LEU 297 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3h54 h LEU 297 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3h54 h LEU 297 CO 0.17 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.84 3h54 n GLN 298 N -4.19 3.91 -1.72 1.13 6.02 0.32 -4.92 117.38 117.92 3h54 n GLN 298 Ca -0.02 -2.91 -0.43 0.00 -0.01 0.00 0.00 57.00 53.62 3h54 n GLN 298 Cb 0.22 -1.96 -0.03 0.00 1.02 0.00 0.00 30.24 29.49 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 -1.04 5.83 0.26 1.08 3.84 -0.98 -4.88 114.94 119.05 3h54 s ASN 299 Ca 0.49 1.97 -0.02 0.00 0.21 0.00 0.00 52.86 55.51 3h54 s ASN 299 Cb 0.34 -2.52 0.34 0.00 -0.55 0.00 0.00 41.25 38.86 3h54 s ASN 299 CO 0.19 -1.65 1.76 -0.65 -2.79 0.00 0.00 177.10 173.97 3h54 h PRO 300 N 13.32 0.80 -0.21 0.43 0.11 -1.92 -1.43 132.00 143.11 3h54 h PRO 300 Ca -0.41 -0.21 -0.17 0.00 0.11 0.00 0.00 66.00 65.32 3h54 h PRO 300 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3h54 h PRO 300 CO 0.97 0.79 -0.54 1.25 -0.21 0.00 0.00 178.00 180.27 3h54 h LEU 301 N 0.75 0.83 -0.34 2.35 5.85 -1.91 -1.79 115.31 121.05 3h54 h LEU 301 Ca 0.15 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.35 3h54 h LEU 301 Cb 0.44 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3h54 h LEU 301 CO 0.02 1.25 0.04 -0.03 -0.34 0.00 0.00 178.44 179.38 3h54 h MET 302 N 0.45 0.14 -0.48 1.25 4.05 -1.79 -0.74 114.93 117.81 3h54 h MET 302 Ca -0.01 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 3h54 h MET 302 Cb 1.15 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.90 3h54 h MET 302 CO 0.12 0.10 0.22 0.82 0.23 0.00 0.00 176.91 178.39 3h54 h ILE 303 N 0.15 1.19 -0.70 1.77 2.04 -1.27 0.13 117.51 120.82 3h54 h ILE 303 Ca 0.16 -0.57 0.08 0.00 1.00 0.00 0.00 64.86 65.54 3h54 h ILE 303 Cb 0.20 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 3h54 h ILE 303 CO -0.24 0.22 0.37 0.50 0.00 0.00 0.00 178.15 179.00 3h54 h LYS 304 N 0.64 0.63 -0.14 2.37 3.64 -0.92 0.33 116.57 123.12 3h54 h LYS 304 Ca 0.17 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3h54 h LYS 304 Cb 0.14 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3h54 h LYS 304 CO -0.02 0.42 0.01 0.82 -2.27 0.00 0.00 179.45 178.41 3h54 h ILE 305 N 0.65 1.23 -0.64 2.00 2.04 -0.79 -2.21 117.51 119.79 3h54 h ILE 305 Ca 0.33 -0.75 0.05 0.00 1.00 0.00 0.00 64.86 65.49 3h54 h ILE 305 Cb 0.29 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 3h54 h ILE 305 CO -0.23 0.22 0.36 -1.13 0.00 0.00 0.00 178.15 177.37 3h54 h ASN 306 N -0.00 0.55 -0.23 1.72 -0.73 -0.49 -2.51 115.58 113.89 3h54 h ASN 306 Ca 0.04 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.24 3h54 h ASN 306 Cb 0.33 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.83 3h54 h ASN 306 CO 0.00 0.36 0.00 0.00 -0.37 0.00 0.00 177.43 177.42 3h54 n GLN 307 N -4.78 2.06 -1.64 6.67 1.13 0.11 -4.59 117.38 116.34 3h54 n GLN 307 Ca 0.08 -1.04 -0.48 0.00 -1.94 0.00 0.00 57.00 53.61 3h54 n GLN 307 Cb 0.15 -1.53 -0.05 0.00 0.11 0.00 0.00 30.24 28.92 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 0.24 2.45 0.14 1.08 2.03 -0.84 -4.85 116.55 116.79 3h54 n ASP 308 Ca 0.09 1.10 0.15 0.00 0.52 0.00 0.00 54.79 56.66 3h54 n ASP 308 Cb 0.43 -1.33 0.71 0.00 -0.72 0.00 0.00 41.12 40.21 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 5.19 0.00 0.00 -0.67 0.11 -1.91 -2.13 132.00 132.58 3h54 h PRO 309 Ca -0.46 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 3h54 h PRO 309 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3h54 h PRO 309 CO 0.83 0.00 -0.47 -0.07 -0.21 0.00 0.00 178.00 178.08 3h54 h LEU 310 N 0.00 0.00 1.10 2.35 3.38 -1.92 -3.47 115.31 116.76 3h54 h LEU 310 Ca 0.13 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.73 3h54 h LEU 310 Cb 0.54 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.33 3h54 h LEU 310 CO -0.00 0.47 -0.54 0.61 0.09 0.00 0.00 178.44 179.07 3h54 n GLY 311 N -0.09 -0.40 3.55 0.83 0.00 -0.80 -4.56 105.19 103.72 3h54 n GLY 311 Ca -0.01 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.10 4.84 0.31 -0.61 1.01 -1.26 -3.82 121.20 118.57 3h54 s ILE 312 Ca 0.24 0.45 -0.29 0.00 0.00 0.00 0.00 60.65 61.04 3h54 s ILE 312 Cb -0.10 -4.15 -0.11 0.00 0.01 0.00 0.00 42.46 38.11 3h54 s ILE 312 CO 0.29 -0.45 1.55 -1.58 0.00 0.00 0.00 174.94 174.76 3h54 s GLN 313 N 2.82 4.13 0.54 2.79 0.74 -1.26 -4.53 119.66 124.89 3h54 s GLN 313 Ca 0.25 2.55 -0.09 0.00 0.05 0.00 0.00 55.36 58.12 3h54 s GLN 313 Cb -0.14 -3.02 0.13 0.00 1.10 0.00 0.00 33.01 31.08 3h54 s GLN 313 CO 0.17 -0.59 0.70 0.41 -0.55 0.00 0.00 175.29 175.43 3h54 n GLY 314 N 1.73 -1.50 3.23 2.59 0.00 0.15 -4.81 105.19 106.58 3h54 n GLY 314 Ca 0.06 -1.66 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 3h54 n GLY 314 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h54 s ARG 315 N -4.53 0.80 -0.16 1.61 0.52 -0.56 -4.80 118.95 111.84 3h54 s ARG 315 Ca 0.40 -0.58 -0.29 0.00 -0.52 0.00 0.00 55.73 54.73 3h54 s ARG 315 Cb -0.01 0.34 -0.01 0.00 0.52 0.00 0.00 34.95 35.79 3h54 s ARG 315 CO 0.28 -0.25 1.16 0.50 0.02 0.00 0.00 175.30 177.01 3h54 s ARG 316 N -2.73 4.28 -0.01 3.54 3.52 -1.26 -0.53 118.95 125.76 3h54 s ARG 316 Ca -0.04 1.55 0.16 0.00 -0.13 0.00 0.00 55.73 57.27 3h54 s ARG 316 Cb -0.00 -3.67 -0.20 0.00 -1.56 0.00 0.00 34.95 29.52 3h54 s ARG 316 CO -0.05 -0.60 0.54 0.44 -0.81 0.00 0.00 175.30 174.83 3h54 n ILE 317 N 5.14 0.00 -3.71 4.11 -5.35 0.93 -4.95 119.36 115.52 3h54 n ILE 317 Ca 0.12 -0.22 -0.12 0.00 -0.27 0.00 0.00 62.75 62.26 3h54 n ILE 317 Cb 0.46 0.68 -0.10 0.00 -1.74 0.00 0.00 39.64 38.94 3h54 n ILE 317 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 3h54 s HIS 318 N -2.69 -0.54 -0.05 4.28 2.46 -1.02 -4.99 115.29 112.74 3h54 s HIS 318 Ca 0.02 1.24 0.01 0.00 0.47 0.00 0.00 55.06 56.79 3h54 s HIS 318 Cb 0.11 0.21 0.02 0.00 -0.13 0.00 0.00 32.58 32.80 3h54 s HIS 318 CO 0.64 -0.28 -0.05 0.21 -2.47 0.00 0.00 174.74 172.80 3h54 s LYS 319 N 0.70 0.88 0.26 2.88 2.20 -1.26 -0.94 119.74 124.46 3h54 s LYS 319 Ca -0.04 -0.11 0.10 0.00 -0.36 0.00 0.00 55.97 55.56 3h54 s LYS 319 Cb -0.05 -0.90 -0.04 0.00 -1.51 0.00 0.00 37.83 35.32 3h54 s LYS 319 CO -0.05 -0.10 -0.05 -1.21 -0.36 0.00 0.00 175.35 173.59 3h54 s GLU 320 N 1.00 2.17 0.39 4.03 2.02 -0.84 -5.02 118.70 122.45 3h54 s GLU 320 Ca -0.10 -1.45 0.28 0.00 0.02 0.00 0.00 54.97 53.73 3h54 s GLU 320 Cb -0.14 -2.10 1.22 0.00 0.10 0.00 0.00 34.13 33.20 3h54 s GLU 320 CO -0.00 0.37 1.84 1.57 0.02 0.00 0.00 175.26 179.06 3h54 h LYS 321 N 2.09 0.00 0.00 1.61 2.10 -2.02 -1.12 116.57 119.23 3h54 h LYS 321 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 3h54 h LYS 321 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3h54 h LYS 321 CO 0.59 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.91 3h54 n SER 322 N -2.59 0.00 -0.96 7.07 3.41 -1.26 -4.86 113.62 114.43 3h54 n SER 322 Ca 0.01 -0.37 -0.12 0.00 -0.26 0.00 0.00 58.87 58.12 3h54 n SER 322 Cb 0.23 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.08 -0.87 -4.68 1.04 4.77 -0.42 -4.71 117.00 111.05 3h54 n LEU 323 Ca 0.12 0.31 -0.40 0.00 -0.03 0.00 0.00 56.01 56.00 3h54 n LEU 323 Cb 0.08 -1.99 -0.05 0.00 -2.33 0.00 0.00 43.42 39.13 3h54 n LEU 323 CO 0.11 -0.69 0.41 -0.63 -1.33 0.00 0.00 177.39 175.26 3h54 s ILE 324 N -2.43 5.01 -0.00 -0.08 -1.09 -1.26 -1.06 121.20 120.30 3h54 s ILE 324 Ca 0.00 1.33 0.02 0.00 -2.23 0.00 0.00 60.65 59.76 3h54 s ILE 324 Cb 0.00 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 3h54 s ILE 324 CO 0.00 0.15 -0.01 -1.61 -1.23 0.00 0.00 174.94 172.24 3h54 s GLU 325 N 1.56 2.76 -0.15 2.79 2.02 0.76 -1.98 118.70 126.46 3h54 s GLU 325 Ca 0.33 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.70 3h54 s GLU 325 Cb -0.16 -2.65 -0.00 0.00 0.10 0.00 0.00 34.13 31.41 3h54 s GLU 325 CO 0.13 0.62 -0.16 0.08 0.02 0.00 0.00 175.26 175.95 3h54 s VAL 326 N -1.07 2.65 0.04 2.63 1.01 -0.11 -0.14 120.40 125.41 3h54 s VAL 326 Ca 0.19 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.42 3h54 s VAL 326 Cb -0.11 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3h54 s VAL 326 CO 0.10 0.52 0.01 -0.31 0.00 0.00 0.00 175.10 175.42 3h54 s TYR 327 N 0.76 3.05 -0.03 5.22 1.51 0.03 -0.05 117.35 127.84 3h54 s TYR 327 Ca -0.06 0.04 0.00 0.00 -1.01 0.00 0.00 57.07 56.04 3h54 s TYR 327 Cb -0.15 -1.61 0.03 0.00 -0.11 0.00 0.00 41.96 40.11 3h54 s TYR 327 CO 0.01 0.47 -0.00 1.41 -1.11 0.00 0.00 175.55 176.33 3h54 s MET 328 N -1.95 0.35 -0.17 -0.62 1.75 0.31 -1.26 119.30 117.71 3h54 s MET 328 Ca 0.23 0.06 0.01 0.00 -1.25 0.00 0.00 55.69 54.74 3h54 s MET 328 Cb -0.12 -0.51 0.01 0.00 2.84 0.00 0.00 34.83 37.06 3h54 s MET 328 CO 0.15 -0.13 -0.20 0.50 -0.65 0.00 0.00 175.02 174.69 3h54 s ARG 329 N 1.00 3.03 0.29 4.11 3.52 -0.17 -1.49 118.95 129.23 3h54 s ARG 329 Ca -0.10 -0.82 -0.29 0.00 -0.13 0.00 0.00 55.73 54.38 3h54 s ARG 329 Cb -0.14 -2.55 -0.10 0.00 -1.56 0.00 0.00 34.95 30.61 3h54 s ARG 329 CO -0.02 -0.13 1.33 -2.14 -0.81 0.00 0.00 175.30 173.53 3h54 s PRO 330 N 1.11 4.36 0.34 5.12 0.02 -1.26 -0.84 135.00 143.84 3h54 s PRO 330 Ca 0.00 2.19 0.03 0.00 0.02 0.00 0.00 61.00 63.24 3h54 s PRO 330 Cb -0.14 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.22 3h54 s PRO 330 CO -0.08 -0.23 0.08 -0.51 -0.33 0.00 0.00 177.00 175.93 3h54 s LEU 331 N -1.16 2.07 0.78 -5.54 1.43 -0.01 -4.58 118.68 111.68 3h54 s LEU 331 Ca 0.52 -1.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.07 3h54 s LEU 331 Cb -0.39 -0.27 0.06 0.00 0.03 0.00 0.00 46.19 45.61 3h54 s LEU 331 CO 0.48 -0.70 1.09 -0.94 0.23 0.00 0.00 176.35 176.51 3h54 s SER 332 N -3.50 4.42 -1.38 2.29 1.04 -1.26 -3.58 113.70 111.74 3h54 s SER 332 Ca 0.33 1.80 -0.07 0.00 0.48 0.00 0.00 55.95 58.50 3h54 s SER 332 Cb 0.07 -2.50 0.01 0.00 0.10 0.00 0.00 66.02 63.70 3h54 s SER 332 CO 0.15 -2.08 0.90 0.59 0.98 0.00 0.00 173.24 173.77 3h54 n ASN 333 N -3.55 -6.09 -1.22 7.02 3.02 -1.26 -2.55 115.26 110.63 3h54 n ASN 333 Ca 0.09 -0.41 -0.16 0.00 -0.03 0.00 0.00 54.58 54.07 3h54 n ASN 333 Cb 0.53 -4.80 -0.07 0.00 -0.61 0.00 0.00 39.78 34.84 3h54 n ASN 333 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3h54 n LYS 334 N -4.41 -1.57 -2.58 3.52 4.76 -1.25 -4.83 118.16 111.80 3h54 n LYS 334 Ca -0.04 1.06 -0.27 0.00 -2.87 0.00 0.00 58.31 56.19 3h54 n LYS 334 Cb 0.58 -5.46 0.01 0.00 -1.84 0.00 0.00 35.03 28.32 3h54 n LYS 334 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h54 s ALA 335 N -2.35 3.39 0.04 7.82 0.00 -1.06 -4.53 121.76 125.07 3h54 s ALA 335 Ca 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.39 3h54 s ALA 335 Cb 0.00 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 3h54 s ALA 335 CO 0.00 -0.47 -0.04 -1.12 0.00 0.00 0.00 175.76 174.13 3h54 s SER 336 N -4.16 0.51 -0.16 0.00 0.01 0.68 -0.83 113.70 109.75 3h54 s SER 336 Ca 0.49 -0.79 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 3h54 s SER 336 Cb -0.10 0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.25 3h54 s SER 336 CO 0.45 -0.45 -0.08 0.00 0.41 0.00 0.00 173.24 173.57 3h54 s ALA 337 N -2.81 2.76 -0.13 1.44 0.00 -0.02 -0.16 121.76 122.84 3h54 s ALA 337 Ca -0.02 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 3h54 s ALA 337 Cb -0.00 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 3h54 s ALA 337 CO -0.05 0.05 -0.13 -0.51 0.00 0.00 0.00 175.76 175.12 3h54 s LEU 338 N 0.66 2.75 -0.23 0.00 1.43 0.15 -1.00 118.68 122.44 3h54 s LEU 338 Ca -0.05 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3h54 s LEU 338 Cb -0.15 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.49 3h54 s LEU 338 CO 0.02 0.17 -0.13 -0.69 0.23 0.00 0.00 176.35 175.96 3h54 s VAL 339 N 0.30 2.34 -0.34 -1.59 1.01 -0.39 0.19 120.40 121.92 3h54 s VAL 339 Ca -0.10 -1.22 -0.17 0.00 0.00 0.00 0.00 61.98 60.49 3h54 s VAL 339 Cb -0.16 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 3h54 s VAL 339 CO 0.05 0.23 0.48 -0.36 0.00 0.00 0.00 175.10 175.50 3h54 s PHE 340 N 1.23 3.19 -0.16 5.22 0.08 0.98 -0.79 117.98 127.73 3h54 s PHE 340 Ca -0.02 0.15 0.01 0.00 0.12 0.00 0.00 56.93 57.20 3h54 s PHE 340 Cb -0.17 -2.86 0.01 0.00 -0.57 0.00 0.00 43.02 39.44 3h54 s PHE 340 CO -0.08 -0.50 -0.19 0.12 -0.10 0.00 0.00 175.22 174.47 3h54 s PHE 341 N 2.30 2.73 -0.35 0.36 5.99 0.80 -0.75 117.98 129.06 3h54 s PHE 341 Ca 0.17 -1.35 -0.15 0.00 0.00 0.00 0.00 56.93 55.60 3h54 s PHE 341 Cb -0.16 -1.87 -0.01 0.00 0.00 0.00 0.00 43.02 40.98 3h54 s PHE 341 CO 0.13 -0.64 0.35 0.45 -0.00 0.00 0.00 175.22 175.52 3h54 s SER 342 N 0.97 6.17 0.00 6.13 0.15 -0.26 -0.17 113.70 126.69 3h54 s SER 342 Ca -0.03 -0.32 0.17 0.00 0.70 0.00 0.00 55.95 56.47 3h54 s SER 342 Cb -0.15 -2.19 0.64 0.00 -1.71 0.00 0.00 66.02 62.61 3h54 s SER 342 CO -0.05 -0.36 1.47 0.00 1.20 0.00 0.00 173.24 175.50 3h54 s ARG 344 N -1.75 2.90 -0.17 0.00 0.52 -1.26 -4.81 118.95 114.37 3h54 s ARG 344 Ca 0.28 1.51 0.16 0.00 -0.52 0.00 0.00 55.73 57.17 3h54 s ARG 344 Cb 0.15 -1.95 0.44 0.00 0.52 0.00 0.00 34.95 34.11 3h54 s ARG 344 CO 0.22 -1.20 1.19 0.25 0.02 0.00 0.00 175.30 175.78 3h54 n THR 345 N -2.09 1.53 -0.00 0.02 -2.24 -1.26 -2.69 114.28 107.55 3h54 n THR 345 Ca 0.11 -2.77 -0.01 0.00 -2.27 0.00 0.00 64.05 59.12 3h54 n THR 345 Cb 0.51 0.14 -0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 -0.52 0.32 -3.59 3.42 5.75 -1.26 -5.08 116.55 115.59 3h54 n ASP 346 Ca 0.19 0.05 -0.06 0.00 -0.01 0.00 0.00 54.79 54.95 3h54 n ASP 346 Cb 0.89 -0.26 -0.01 0.00 -1.03 0.00 0.00 41.12 40.71 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 -1.30 1.73 0.48 0.11 0.23 -1.26 -4.96 119.30 114.33 3h54 s MET 347 Ca -0.02 -1.01 -0.22 0.00 -1.03 0.00 0.00 55.69 53.40 3h54 s MET 347 Cb 0.00 0.55 -0.09 0.00 -1.53 0.00 0.00 34.83 33.77 3h54 s MET 347 CO 0.04 -0.80 0.99 -2.30 -2.03 0.00 0.00 175.02 170.92 3h54 n PRO 348 N -0.50 1.22 -4.57 3.16 -0.02 -1.26 -4.18 135.00 128.85 3h54 n PRO 348 Ca -0.05 0.45 -0.26 0.00 -2.02 0.00 0.00 63.50 61.61 3h54 n PRO 348 Cb 0.60 -2.09 -0.17 0.00 -0.02 0.00 0.00 33.50 31.82 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 1.66 -0.66 6.00 5.04 0.52 -4.93 117.35 123.61 3h54 s TYR 349 Ca 0.67 -0.67 -0.26 0.00 -2.44 0.00 0.00 57.07 54.36 3h54 s TYR 349 Cb -0.51 -1.21 0.04 0.00 0.35 0.00 0.00 41.96 40.63 3h54 s TYR 349 CO 0.54 -0.34 1.18 1.03 -1.34 0.00 0.00 175.55 176.61 3h54 s ARG 350 N 0.77 3.28 -0.38 4.97 0.52 -1.26 -0.97 118.95 125.89 3h54 s ARG 350 Ca -0.12 -0.19 -0.21 0.00 -0.52 0.00 0.00 55.73 54.69 3h54 s ARG 350 Cb -0.16 -4.13 0.01 0.00 0.52 0.00 0.00 34.95 31.19 3h54 s ARG 350 CO 0.02 -1.90 0.67 -0.47 0.02 0.00 0.00 175.30 173.64 3h54 s TYR 351 N 5.10 3.12 -0.21 -0.53 5.04 0.75 -4.91 117.35 125.70 3h54 s TYR 351 Ca 0.35 0.31 -0.14 0.00 -2.44 0.00 0.00 57.07 55.15 3h54 s TYR 351 Cb -0.10 -3.25 -0.04 0.00 0.35 0.00 0.00 41.96 38.92 3h54 s TYR 351 CO 0.18 -0.71 0.32 -1.01 -1.34 0.00 0.00 175.55 172.99 3h54 s HIS 352 N 2.83 3.36 0.03 4.97 3.76 -1.26 -1.21 115.29 127.78 3h54 s HIS 352 Ca 0.26 0.50 -0.00 0.00 -0.15 0.00 0.00 55.06 55.66 3h54 s HIS 352 Cb -0.14 -2.44 0.00 0.00 1.11 0.00 0.00 32.58 31.11 3h54 s HIS 352 CO 0.16 0.03 0.05 0.45 -0.85 0.00 0.00 174.74 174.58 3h54 n SER 353 N 4.36 -0.14 -3.53 1.40 2.88 -0.51 -5.00 113.62 113.08 3h54 n SER 353 Ca -0.10 -1.15 -0.12 0.00 -1.33 0.00 0.00 58.87 56.17 3h54 n SER 353 Cb 0.51 0.24 -0.04 0.00 -0.75 0.00 0.00 64.21 64.18 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 -1.17 -0.43 0.38 -3.46 1.04 -1.26 -1.11 113.70 107.68 3h54 s SER 354 Ca 0.02 -0.04 0.11 0.00 0.48 0.00 0.00 55.95 56.52 3h54 s SER 354 Cb -0.00 0.53 0.75 0.00 0.10 0.00 0.00 66.02 67.40 3h54 s SER 354 CO 0.01 -0.86 1.87 -0.07 0.98 0.00 0.00 173.24 175.18 3h54 h LEU 355 N 2.34 0.13 -0.97 2.42 3.38 -1.74 -2.46 115.31 118.42 3h54 h LEU 355 Ca -0.33 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 3h54 h LEU 355 Cb 1.26 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 3h54 h LEU 355 CO 0.42 0.39 0.50 1.23 0.09 0.00 0.00 178.44 181.07 3h54 h GLY 356 N 0.88 1.31 2.00 0.83 0.00 -0.57 -1.42 103.07 106.11 3h54 h GLY 356 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.77 3h54 h GLY 356 CO 0.04 0.55 0.00 -1.06 0.00 0.00 0.00 176.54 176.07 3h54 n GLN 357 N -4.34 0.09 -0.88 4.80 6.02 -0.94 -2.47 117.38 119.65 3h54 n GLN 357 Ca 0.10 0.27 -0.07 0.00 -0.01 0.00 0.00 57.00 57.28 3h54 n GLN 357 Cb 0.09 -1.65 0.22 0.00 1.02 0.00 0.00 30.24 29.91 3h54 n GLN 357 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3h54 n LEU 358 N -1.82 4.97 -1.78 1.08 4.77 -0.63 -4.95 117.00 118.64 3h54 n LEU 358 Ca 0.04 -3.56 -0.19 0.00 -0.03 0.00 0.00 56.01 52.27 3h54 n LEU 358 Cb 0.24 -0.69 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 3h54 n LEU 358 CO 0.19 1.07 -0.21 -3.20 -1.33 0.00 0.00 177.39 173.91 3h54 n ASN 359 N -0.92 -5.32 -4.72 -1.43 2.85 -1.03 -4.99 115.26 99.70 3h54 n ASN 359 Ca 0.39 0.22 -0.41 0.00 -0.11 0.00 0.00 54.58 54.67 3h54 n ASN 359 Cb 1.21 -4.42 -0.04 0.00 1.24 0.00 0.00 39.78 37.77 3h54 n ASN 359 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3h54 s PHE 360 N -2.81 3.65 0.18 1.20 0.08 -0.65 -5.03 117.98 114.59 3h54 s PHE 360 Ca 0.00 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.56 3h54 s PHE 360 Cb 0.00 -2.96 0.00 0.00 -0.57 0.00 0.00 43.02 39.50 3h54 s PHE 360 CO 0.00 0.07 0.04 0.25 -0.10 0.00 0.00 175.22 175.48 3h54 n THR 361 N 3.66 0.00 -0.67 0.64 -2.24 -1.26 -4.27 114.28 110.13 3h54 n THR 361 Ca 0.02 -0.80 0.03 0.00 -2.27 0.00 0.00 64.05 61.03 3h54 n THR 361 Cb 0.51 0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.76 3h54 n THR 361 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h54 n GLY 362 N 2.86 -2.17 1.98 3.38 0.00 -1.26 -4.43 105.19 105.54 3h54 n GLY 362 Ca -0.05 -1.46 -0.24 0.00 0.00 0.00 0.00 46.02 44.27 3h54 n GLY 362 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h54 n SER 363 N -1.42 5.30 -4.74 1.61 3.41 -1.26 -4.82 113.62 111.70 3h54 n SER 363 Ca 0.00 -3.76 -0.41 0.00 -0.26 0.00 0.00 58.87 54.44 3h54 n SER 363 Cb 0.11 -0.71 -0.04 0.00 -0.26 0.00 0.00 64.21 63.31 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 -4.23 3.75 -0.27 -3.33 1.01 -1.26 -5.03 120.40 111.04 3h54 s VAL 364 Ca 0.56 1.47 -0.15 0.00 0.00 0.00 0.00 61.98 63.86 3h54 s VAL 364 Cb 0.46 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 3h54 s VAL 364 CO 0.02 0.23 0.40 -0.63 0.00 0.00 0.00 175.10 175.12 3h54 s ILE 365 N -0.06 5.15 0.30 2.22 1.01 -1.26 -4.46 121.20 124.11 3h54 s ILE 365 Ca 0.52 0.63 0.06 0.00 0.00 0.00 0.00 60.65 61.86 3h54 s ILE 365 Cb -0.31 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 3h54 s ILE 365 CO 0.35 0.15 0.39 -0.31 0.00 0.00 0.00 174.94 175.52 3h54 s TYR 366 N 2.09 3.17 0.02 3.97 2.02 0.90 -0.88 117.35 128.64 3h54 s TYR 366 Ca 0.16 -0.17 0.02 0.00 -0.37 0.00 0.00 57.07 56.71 3h54 s TYR 366 Cb -0.16 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.59 3h54 s TYR 366 CO 0.10 0.18 -0.08 -2.00 -1.57 0.00 0.00 175.55 172.18 3h54 s GLU 367 N -4.07 0.56 0.01 -0.62 2.12 0.21 -1.82 118.70 115.10 3h54 s GLU 367 Ca 0.40 -0.49 0.08 0.00 0.36 0.00 0.00 54.97 55.32 3h54 s GLU 367 Cb -0.09 -0.47 -0.02 0.00 0.26 0.00 0.00 34.13 33.82 3h54 s GLU 367 CO 0.29 0.11 -0.24 0.00 -0.54 0.00 0.00 175.26 174.88 3h54 s ALA 368 N -0.70 2.03 -0.19 6.30 0.00 0.16 -0.73 121.76 128.63 3h54 s ALA 368 Ca -0.02 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 3h54 s ALA 368 Cb -0.06 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 3h54 s ALA 368 CO 0.00 0.48 -0.04 -1.14 0.00 0.00 0.00 175.76 175.07 3h54 s GLN 369 N -0.88 3.53 -0.13 0.00 0.74 0.46 -0.27 119.66 123.11 3h54 s GLN 369 Ca 0.10 -0.57 -0.29 0.00 0.05 0.00 0.00 55.36 54.64 3h54 s GLN 369 Cb -0.09 -2.97 -0.04 0.00 1.10 0.00 0.00 33.01 31.00 3h54 s GLN 369 CO 0.00 0.01 1.69 0.34 -0.55 0.00 0.00 175.29 176.79 3h54 s ASP 370 N 0.95 6.45 0.43 6.67 -1.08 0.29 -0.28 116.67 130.09 3h54 s ASP 370 Ca 0.00 1.97 0.13 0.00 -0.52 0.00 0.00 52.55 54.12 3h54 s ASP 370 Cb -0.15 -2.53 0.93 0.00 -1.46 0.00 0.00 42.92 39.71 3h54 s ASP 370 CO 0.01 -1.15 1.97 0.58 0.52 0.00 0.00 175.17 177.10 3h54 h VAL 371 N 5.93 1.14 0.04 1.11 2.07 -1.06 0.11 116.25 125.61 3h54 h VAL 371 Ca -0.37 -0.65 -0.34 0.00 0.82 0.00 0.00 66.70 66.15 3h54 h VAL 371 Cb 1.17 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 3h54 h VAL 371 CO 0.97 0.19 -2.00 -1.22 0.02 0.00 0.00 177.57 175.54 3h54 n TYR 372 N -4.32 0.83 0.17 1.57 4.01 -1.26 -4.47 117.16 113.69 3h54 n TYR 372 Ca -0.02 0.23 0.11 0.00 -0.16 0.00 0.00 57.90 58.07 3h54 n TYR 372 Cb 0.24 -1.13 -0.11 0.00 -0.31 0.00 0.00 39.34 38.04 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 -3.18 0.33 0.00 7.72 3.41 -1.20 -4.98 113.62 115.72 3h54 n SER 373 Ca -0.28 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 3h54 n SER 373 Cb 1.06 1.45 0.00 0.00 -0.26 0.00 0.00 64.21 66.46 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 1.28 2.09 3.76 5.00 0.00 0.39 -5.01 105.19 112.70 3h54 n GLY 374 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3h54 n GLY 374 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h54 s ASP 375 N -3.54 5.64 -0.15 1.61 1.01 -1.25 -4.64 116.67 115.36 3h54 s ASP 375 Ca 0.00 2.68 -0.02 0.00 0.71 0.00 0.00 52.55 55.92 3h54 s ASP 375 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 3h54 s ASP 375 CO 0.00 -1.31 -0.08 -0.63 0.21 0.00 0.00 175.17 173.36 3h54 s ILE 376 N -1.33 3.47 -0.26 0.77 1.01 -1.26 -0.55 121.20 123.05 3h54 s ILE 376 Ca 0.67 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 3h54 s ILE 376 Cb -0.38 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.61 3h54 s ILE 376 CO 0.46 0.50 -0.02 -0.63 0.00 0.00 0.00 174.94 175.26 3h54 s ILE 377 N 0.42 3.27 0.27 2.92 1.09 0.63 -4.98 121.20 124.82 3h54 s ILE 377 Ca -0.07 -0.85 0.10 0.00 -1.10 0.00 0.00 60.65 58.73 3h54 s ILE 377 Cb -0.15 -2.64 -0.04 0.00 -1.06 0.00 0.00 42.46 38.56 3h54 s ILE 377 CO 0.04 0.20 -0.00 -0.94 -0.10 0.00 0.00 174.94 174.13 3h54 s SER 378 N 1.40 4.54 -0.06 3.58 1.04 -1.26 -0.67 113.70 122.26 3h54 s SER 378 Ca 0.02 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.79 3h54 s SER 378 Cb -0.16 -0.84 0.00 0.00 0.10 0.00 0.00 66.02 65.12 3h54 s SER 378 CO -0.02 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.80 3h54 n GLY 379 N -0.90 0.35 3.54 7.32 0.00 -1.20 -5.00 105.19 109.30 3h54 n GLY 379 Ca -0.06 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.21 3.85 0.32 0.99 1.43 -0.75 -4.92 118.68 119.40 3h54 s LEU 380 Ca 0.00 -0.20 0.06 0.00 -1.03 0.00 0.00 54.13 52.96 3h54 s LEU 380 Cb 0.00 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 3h54 s LEU 380 CO 0.00 -1.33 0.46 -0.13 0.23 0.00 0.00 176.35 175.58 3h54 s ARG 381 N 4.34 3.18 0.46 1.70 0.52 -1.26 -0.07 118.95 127.83 3h54 s ARG 381 Ca 0.35 -0.93 0.23 0.00 -0.52 0.00 0.00 55.73 54.86 3h54 s ARG 381 Cb -0.11 -2.82 1.24 0.00 0.52 0.00 0.00 34.95 33.78 3h54 s ARG 381 CO 0.21 0.12 1.87 -0.44 0.02 0.00 0.00 175.30 177.08 3h54 h ASP 382 N 0.92 0.25 0.47 0.23 3.45 -1.88 -0.98 116.42 118.87 3h54 h ASP 382 Ca -0.47 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.02 3h54 h ASP 382 Cb 1.25 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 3h54 h ASP 382 CO 0.55 0.09 -0.55 -0.62 -1.57 0.00 0.00 179.24 177.14 3h54 n GLU 383 N -4.43 0.01 -2.09 3.56 4.71 -1.26 0.05 120.64 121.19 3h54 n GLU 383 Ca 0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.92 3h54 n GLU 383 Cb 0.80 -1.51 -0.03 0.00 -1.01 0.00 0.00 31.44 29.69 3h54 n GLU 383 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3h54 s THR 384 N -3.01 3.71 0.19 2.62 2.01 -0.37 -4.97 115.64 115.82 3h54 s THR 384 Ca 0.11 0.85 -0.30 0.00 0.31 0.00 0.00 61.69 62.65 3h54 s THR 384 Cb 0.17 -3.59 -0.08 0.00 0.01 0.00 0.00 72.50 69.01 3h54 s THR 384 CO 0.71 -0.12 1.20 0.20 -0.69 0.00 0.00 174.62 175.93 3h54 s ASN 385 N 3.37 7.07 0.08 3.53 0.01 -1.26 -4.34 114.94 123.40 3h54 s ASN 385 Ca 0.70 2.25 0.02 0.00 -0.71 0.00 0.00 52.86 55.11 3h54 s ASN 385 Cb -0.30 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.72 3h54 s ASN 385 CO 0.27 -0.38 -0.06 0.72 -1.51 0.00 0.00 177.10 176.14 3h54 s PHE 386 N -0.05 0.81 -0.06 2.20 -0.12 -0.27 -5.01 117.98 115.49 3h54 s PHE 386 Ca 0.53 -0.86 0.06 0.00 -0.05 0.00 0.00 56.93 56.61 3h54 s PHE 386 Cb -0.33 -0.48 -0.01 0.00 -0.63 0.00 0.00 43.02 41.57 3h54 s PHE 386 CO 0.37 -0.16 -0.24 0.99 -0.05 0.00 0.00 175.22 176.13 3h54 s THR 387 N -3.28 1.97 -0.05 -4.49 2.01 -1.26 -1.43 115.64 109.12 3h54 s THR 387 Ca 0.08 -1.01 0.06 0.00 0.31 0.00 0.00 61.69 61.12 3h54 s THR 387 Cb 0.03 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.86 3h54 s THR 387 CO -0.04 0.55 -0.24 0.68 -0.69 0.00 0.00 174.62 174.88 3h54 s VAL 388 N -0.08 1.94 -0.33 3.82 -7.23 -0.35 -4.95 120.40 113.22 3h54 s VAL 388 Ca -0.05 -1.01 -0.17 0.00 -1.81 0.00 0.00 61.98 58.94 3h54 s VAL 388 Cb -0.14 -1.63 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 3h54 s VAL 388 CO 0.04 0.54 0.46 -0.63 -0.31 0.00 0.00 175.10 175.21 3h54 s ILE 389 N -0.22 5.07 -0.14 -0.62 1.01 -1.26 -0.18 121.20 124.87 3h54 s ILE 389 Ca -0.01 0.35 -0.00 0.00 0.00 0.00 0.00 60.65 60.99 3h54 s ILE 389 Cb -0.13 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 3h54 s ILE 389 CO 0.03 -0.12 -0.13 -0.63 0.00 0.00 0.00 174.94 174.09 3h54 s ILE 390 N 2.27 3.01 0.40 2.92 1.01 -0.14 -4.83 121.20 125.84 3h54 s ILE 390 Ca 0.17 -0.67 -0.17 0.00 0.00 0.00 0.00 60.65 59.98 3h54 s ILE 390 Cb -0.16 -2.27 -0.09 0.00 0.01 0.00 0.00 42.46 39.95 3h54 s ILE 390 CO 0.12 0.52 0.86 0.20 0.00 0.00 0.00 174.94 176.64 3h54 s ASN 391 N 0.45 6.78 0.21 3.58 0.01 -1.26 -0.36 114.94 124.35 3h54 s ASN 391 Ca -0.10 1.45 -0.32 0.00 -0.71 0.00 0.00 52.86 53.19 3h54 s ASN 391 Cb -0.16 -2.45 -0.14 0.00 0.41 0.00 0.00 41.25 38.91 3h54 s ASN 391 CO 0.05 -0.35 1.28 -2.65 -1.51 0.00 0.00 177.10 173.92 3h54 n PRO 392 N -0.78 1.62 -2.49 -0.60 -0.02 -1.26 -0.91 135.00 130.55 3h54 n PRO 392 Ca 0.05 0.57 -0.18 0.00 -2.02 0.00 0.00 63.50 61.93 3h54 n PRO 392 Cb 0.54 -2.15 -0.01 0.00 -0.02 0.00 0.00 33.50 31.86 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 2.04 -5.03 -3.87 2.55 3.41 -0.61 -4.84 113.62 107.26 3h54 n SER 393 Ca 0.13 0.04 -0.25 0.00 -0.26 0.00 0.00 58.87 58.53 3h54 n SER 393 Cb 0.28 -4.21 -0.07 0.00 -0.26 0.00 0.00 64.21 59.95 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 -0.97 3.17 3.16 5.00 0.00 -0.09 -3.38 105.19 112.08 3h54 n GLY 394 Ca -0.19 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.61 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 -3.16 0.80 -0.11 1.61 -7.23 -1.26 -1.10 120.40 109.95 3h54 s VAL 395 Ca 0.24 -1.69 0.02 0.00 -1.81 0.00 0.00 61.98 58.74 3h54 s VAL 395 Cb 0.01 -1.39 -0.01 0.00 0.56 0.00 0.00 36.38 35.55 3h54 s VAL 395 CO 0.17 -0.66 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.42 3h54 s VAL 396 N -2.77 2.54 -0.08 1.32 1.01 0.07 -4.79 120.40 117.69 3h54 s VAL 396 Ca 0.06 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.23 3h54 s VAL 396 Cb -0.01 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 3h54 s VAL 396 CO -0.02 0.55 -0.22 -0.32 0.00 0.00 0.00 175.10 175.09 3h54 s MET 397 N 0.27 2.59 -0.07 2.72 1.75 -1.26 -0.02 119.30 125.27 3h54 s MET 397 Ca -0.13 -0.79 0.03 0.00 -1.25 0.00 0.00 55.69 53.55 3h54 s MET 397 Cb -0.16 -2.05 -0.02 0.00 2.84 0.00 0.00 34.83 35.44 3h54 s MET 397 CO 0.07 0.22 -0.17 -1.58 -0.65 0.00 0.00 175.02 172.91 3h54 s TRP 398 N 0.23 2.66 -0.40 4.11 0.52 0.13 -0.40 118.94 125.78 3h54 s TRP 398 Ca -0.13 -0.43 -0.16 0.00 0.02 0.00 0.00 56.10 55.41 3h54 s TRP 398 Cb -0.16 -1.68 0.01 0.00 -1.15 0.00 0.00 33.47 30.50 3h54 s TRP 398 CO 0.06 -0.02 0.35 -0.47 0.02 0.00 0.00 176.95 176.88 3h54 s TYR 399 N -0.30 3.21 -0.09 -1.98 5.04 0.61 -0.67 117.35 123.18 3h54 s TYR 399 Ca 0.02 -0.41 -0.00 0.00 -2.44 0.00 0.00 57.07 54.24 3h54 s TYR 399 Cb -0.13 -2.69 -0.03 0.00 0.35 0.00 0.00 41.96 39.47 3h54 s TYR 399 CO 0.03 -0.58 -0.07 -1.17 -1.34 0.00 0.00 175.55 172.41 3h54 s LEU 400 N 1.87 3.12 0.01 6.97 2.96 0.77 -0.40 118.68 133.98 3h54 s LEU 400 Ca 0.08 -0.08 -0.17 0.00 -0.22 0.00 0.00 54.13 53.74 3h54 s LEU 400 Cb -0.18 -1.69 0.03 0.00 0.50 0.00 0.00 46.19 44.85 3h54 s LEU 400 CO 0.11 0.30 0.37 -0.72 -1.32 0.00 0.00 176.35 175.10 3h54 s TYR 401 N -0.46 -0.23 0.48 5.38 -0.85 0.09 -0.23 117.35 121.53 3h54 s TYR 401 Ca 0.07 0.28 -0.22 0.00 -0.52 0.00 0.00 57.07 56.69 3h54 s TYR 401 Cb -0.12 0.15 -0.07 0.00 0.38 0.00 0.00 41.96 42.30 3h54 s TYR 401 CO 0.02 -0.47 1.12 -2.14 -1.52 0.00 0.00 175.55 172.56 3h54 s PRO 402 N -1.80 3.68 0.02 -3.49 0.02 -1.26 0.68 135.00 132.84 3h54 s PRO 402 Ca -0.10 1.64 0.05 0.00 0.02 0.00 0.00 61.00 62.61 3h54 s PRO 402 Cb -0.03 -2.25 -0.02 0.00 0.02 0.00 0.00 34.50 32.22 3h54 s PRO 402 CO 0.02 -0.58 -0.15 0.96 -0.33 0.00 0.00 177.00 176.91 3h54 s ILE 403 N -1.69 1.22 0.00 2.83 -4.36 -0.06 -4.79 121.20 114.34 3h54 s ILE 403 Ca 0.66 -0.85 0.00 0.00 -0.26 0.00 0.00 60.65 60.20 3h54 s ILE 403 Cb -0.25 -1.05 0.00 0.00 1.25 0.00 0.00 42.46 42.41 3h54 s ILE 403 CO 0.29 0.19 0.00 2.29 0.24 0.00 0.00 174.94 177.95