#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1imu n THR 2 N 0.00 0.56 -2.67 2.03 -2.24 -1.26 -4.80 114.28 105.91 1imu n THR 2 Ca 0.00 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 1imu n THR 2 Cb 0.00 -1.81 -0.02 0.00 -2.10 0.00 0.00 70.33 66.40 1imu n THR 2 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1imu s LEU 3 N 0.31 3.93 0.36 3.22 0.20 -1.26 -4.40 118.68 121.05 1imu s LEU 3 Ca 0.70 0.97 -0.05 0.00 0.69 0.00 0.00 54.13 56.44 1imu s LEU 3 Cb -0.56 -3.49 -0.05 0.00 -0.43 0.00 0.00 46.19 41.66 1imu s LEU 3 CO 0.42 -0.88 0.65 0.20 -0.29 0.00 0.00 176.35 176.45 1imu s ASN 4 N 1.70 6.39 0.11 3.68 0.01 0.98 -4.83 114.94 122.99 1imu s ASN 4 Ca 0.44 0.80 0.00 0.00 -0.71 0.00 0.00 52.86 53.39 1imu s ASN 4 Cb -0.12 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.31 1imu s ASN 4 CO 0.16 -0.34 -0.01 -0.63 -1.51 0.00 0.00 177.10 174.78 1imu s ILE 5 N -2.32 0.41 0.12 0.60 1.09 -1.26 -0.32 121.20 119.52 1imu s ILE 5 Ca 0.45 -1.91 0.00 0.00 -1.10 0.00 0.00 60.65 58.10 1imu s ILE 5 Cb -0.10 -1.85 0.00 0.00 -1.06 0.00 0.00 42.46 39.45 1imu s ILE 5 CO 0.34 -0.69 0.00 0.41 -0.10 0.00 0.00 174.94 174.90 1imu n THR 6 N -0.07 0.00 -2.11 2.92 -1.04 -1.06 -4.90 114.28 108.03 1imu n THR 6 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1imu n THR 6 Cb 0.62 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1imu n THR 6 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1imu n SER 7 N -2.91 -8.80 -0.24 8.00 7.64 -1.26 -4.82 113.62 111.23 1imu n SER 7 Ca 0.00 1.50 0.01 0.00 1.01 0.00 0.00 58.87 61.39 1imu n SER 7 Cb 0.00 -4.88 0.24 0.00 -1.01 0.00 0.00 64.21 58.56 1imu n SER 7 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1imu h LYS 8 N 4.03 1.01 0.00 1.43 2.10 -1.95 -3.44 116.57 119.76 1imu h LYS 8 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1imu h LYS 8 Cb 0.00 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 31.10 1imu h LYS 8 CO 0.00 0.67 0.00 0.00 -2.00 0.00 0.00 179.45 178.12 1imu n GLN 9 N -4.42 0.00 -1.17 0.07 10.64 -1.26 -5.00 117.38 116.23 1imu n GLN 9 Ca 0.09 0.00 -0.46 0.00 -1.83 0.00 0.00 57.00 54.80 1imu n GLN 9 Cb 0.05 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.32 1imu n GLN 9 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1imu n MET 10 N 0.00 0.00 -0.13 2.61 0.00 -1.26 -4.87 117.12 113.47 1imu n MET 10 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.59 1imu n MET 10 Cb 0.00 -1.31 0.11 0.00 0.00 0.00 0.00 33.22 32.02 1imu n MET 10 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1imu n ASP 11 N 7.50 -2.67 -4.78 3.17 9.92 -1.26 -4.80 116.55 123.63 1imu n ASP 11 Ca 0.51 -0.33 -0.31 0.00 -0.53 0.00 0.00 54.79 54.13 1imu n ASP 11 Cb -0.01 -0.40 -0.07 0.00 -0.64 0.00 0.00 41.12 40.00 1imu n ASP 11 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1imu s ILE 12 N -1.39 4.61 0.27 0.53 -0.00 -1.26 -5.05 121.20 118.91 1imu s ILE 12 Ca 0.25 -0.63 -0.06 0.00 -0.00 0.00 0.00 60.65 60.21 1imu s ILE 12 Cb -0.04 -3.18 -0.01 0.00 -0.00 0.00 0.00 42.46 39.22 1imu s ILE 12 CO 0.21 0.21 0.39 0.42 -0.00 0.00 0.00 174.94 176.17 1imu s THR 13 N -1.32 0.00 0.34 8.37 -4.23 -1.26 -4.97 115.64 112.57 1imu s THR 13 Ca 0.27 -1.62 0.14 0.00 -1.18 0.00 0.00 61.69 59.30 1imu s THR 13 Cb -0.12 -2.42 0.35 0.00 1.34 0.00 0.00 72.50 71.64 1imu s THR 13 CO 0.19 0.00 1.62 -0.65 -0.54 0.00 0.00 174.62 175.24 1imu h PRO 14 N 2.29 0.14 0.00 3.99 0.11 -2.00 0.25 132.00 136.78 1imu h PRO 14 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1imu h PRO 14 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1imu h PRO 14 CO 0.41 0.09 0.00 0.00 -0.21 0.00 0.00 178.00 178.29 1imu n ALA 15 N -2.43 0.00 -0.08 -0.75 0.00 -1.26 -0.30 120.51 115.68 1imu n ALA 15 Ca 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.67 1imu n ALA 15 Cb 1.04 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 20.49 1imu n ALA 15 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1imu h ILE 16 N 0.00 0.24 -0.96 0.00 -2.65 -1.94 0.39 117.51 112.58 1imu h ILE 16 Ca 0.00 0.00 0.11 0.00 1.03 0.00 0.00 64.86 66.00 1imu h ILE 16 Cb 0.00 0.24 -0.13 0.00 -2.05 0.00 0.00 36.82 34.88 1imu h ILE 16 CO 0.00 0.00 -0.52 -0.09 0.03 0.00 0.00 178.15 177.57 1imu h ARG 17 N -0.30 -0.02 -0.96 0.16 2.43 -0.60 2.19 114.38 117.28 1imu h ARG 17 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1imu h ARG 17 Cb 0.54 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.05 1imu h ARG 17 CO -0.48 -0.01 0.61 1.49 -1.51 0.00 0.00 179.97 180.06 1imu h GLU 18 N -0.02 1.27 0.16 0.20 4.81 0.40 0.18 114.58 121.59 1imu h GLU 18 Ca 0.21 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1imu h GLU 18 Cb 0.48 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1imu h GLU 18 CO -0.93 0.86 -0.08 1.25 -0.73 0.00 0.00 179.01 179.38 1imu h HIS 19 N 1.30 -0.20 -0.79 0.92 2.76 0.51 0.83 115.15 120.48 1imu h HIS 19 Ca 0.35 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.65 1imu h HIS 19 Cb -0.11 0.07 -0.14 0.00 1.55 0.00 0.00 27.41 28.77 1imu h HIS 19 CO 0.00 -0.12 -0.34 -0.07 -1.30 0.00 0.00 177.93 176.10 1imu h LEU 20 N -0.25 -1.21 0.54 0.26 3.38 0.32 1.19 115.31 119.52 1imu h LEU 20 Ca -0.02 0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1imu h LEU 20 Cb 0.17 0.64 0.01 0.00 0.09 0.00 0.00 40.66 41.56 1imu h LEU 20 CO 0.04 -0.29 -0.26 -0.33 0.09 0.00 0.00 178.44 177.68 1imu h GLU 21 N -0.07 -0.69 -0.96 1.13 5.08 -0.66 -0.69 114.58 117.72 1imu h GLU 21 Ca 0.31 0.05 0.23 0.00 -1.00 0.00 0.00 59.36 58.95 1imu h GLU 21 Cb 0.58 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.92 1imu h GLU 21 CO -0.84 -0.46 0.63 1.49 -1.00 0.00 0.00 179.01 178.84 1imu h GLU 22 N -0.72 0.35 -0.03 2.33 4.57 0.27 0.36 114.58 121.71 1imu h GLU 22 Ca -0.07 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1imu h GLU 22 Cb 0.55 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1imu h GLU 22 CO 0.12 0.23 0.01 -0.09 -1.18 0.00 0.00 179.01 178.10 1imu h ARG 23 N 0.36 0.04 0.10 1.92 1.12 0.22 0.36 114.38 118.50 1imu h ARG 23 Ca 0.51 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.38 1imu h ARG 23 Cb 1.35 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.30 1imu h ARG 23 CO -0.19 0.19 -0.09 1.25 -3.11 0.00 0.00 179.97 178.01 1imu h LEU 24 N -0.12 -0.25 -1.81 3.80 5.85 1.00 0.27 115.31 124.05 1imu h LEU 24 Ca 0.01 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.84 1imu h LEU 24 Cb 0.17 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1imu h LEU 24 CO -0.00 -0.15 0.30 0.00 -0.34 0.00 0.00 178.44 178.26 1imu h ALA 25 N 0.68 2.13 -0.11 1.25 0.00 -0.40 0.34 119.26 123.15 1imu h ALA 25 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1imu h ALA 25 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1imu h ALA 25 CO -0.02 -0.23 -0.77 -0.22 0.00 0.00 0.00 179.25 178.01 1imu h LYS 26 N 0.22 0.60 0.00 0.00 1.63 0.89 -2.99 116.57 116.92 1imu h LYS 26 Ca 0.20 -0.50 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 1imu h LYS 26 Cb 0.52 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1imu h LYS 26 CO -0.04 1.12 -0.00 1.28 -3.45 0.00 0.00 179.45 178.36 1imu n LEU 27 N -3.88 0.35 0.25 5.20 4.77 0.85 -3.49 117.00 121.05 1imu n LEU 27 Ca -0.06 0.53 0.09 0.00 -0.03 0.00 0.00 56.01 56.54 1imu n LEU 27 Cb 0.73 -0.42 0.65 0.00 -2.33 0.00 0.00 43.42 42.06 1imu n LEU 27 CO 0.51 -0.08 1.08 1.23 -1.33 0.00 0.00 177.39 178.80 1imu h GLY 28 N 4.79 0.00 2.00 -0.72 0.00 -0.27 -0.25 103.07 108.63 1imu h GLY 28 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1imu h GLY 28 CO 0.00 0.00 -0.14 1.70 0.00 0.00 0.00 176.54 178.10 1imu h LYS 29 N 0.00 0.00 -6.02 4.80 3.64 -1.72 -3.41 116.57 113.87 1imu h LYS 29 Ca 0.01 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.90 1imu h LYS 29 Cb 0.06 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 1imu h LYS 29 CO -0.00 0.14 1.26 -1.58 -2.27 0.00 0.00 179.45 177.00 1imu s TRP 30 N -4.12 1.78 0.00 1.91 0.52 -0.11 -4.80 118.94 114.14 1imu s TRP 30 Ca -0.02 0.61 0.00 0.00 0.02 0.00 0.00 56.10 56.71 1imu s TRP 30 Cb 0.13 -4.18 0.00 0.00 -1.15 0.00 0.00 33.47 28.27 1imu s TRP 30 CO 0.59 -2.22 0.47 0.00 0.02 0.00 0.00 176.95 175.81 1imu n GLN 31 N 9.19 0.00 -3.90 4.98 0.00 -1.26 -4.66 117.38 121.73 1imu n GLN 31 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 57.00 57.10 1imu n GLN 31 Cb 0.51 -0.69 -0.05 0.00 0.00 0.00 0.00 30.24 30.01 1imu n GLN 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1imu s THR 32 N 1.31 0.02 -0.41 -0.39 2.01 -1.26 -5.02 115.64 111.91 1imu s THR 32 Ca 0.00 -1.19 0.03 0.00 0.31 0.00 0.00 61.69 60.84 1imu s THR 32 Cb 0.00 -1.91 0.11 0.00 0.01 0.00 0.00 72.50 70.71 1imu s THR 32 CO 0.00 -0.11 0.15 0.00 -0.69 0.00 0.00 174.62 173.97 1imu s GLN 33 N -3.96 1.51 -0.92 4.92 0.00 -1.26 -5.01 119.66 114.93 1imu s GLN 33 Ca 0.17 -2.02 -0.26 0.00 -0.00 0.00 0.00 55.36 53.24 1imu s GLN 33 Cb -0.00 -2.96 -0.19 0.00 0.00 0.00 0.00 33.01 29.86 1imu s GLN 33 CO 0.03 -1.03 2.24 1.28 0.00 0.00 0.00 175.29 177.81 1imu n LEU 34 N 3.87 1.44 -4.55 2.60 4.32 -1.26 -4.44 117.00 118.97 1imu n LEU 34 Ca 0.04 -1.96 -0.37 0.00 -0.02 0.00 0.00 56.01 53.71 1imu n LEU 34 Cb 0.38 -1.66 -0.03 0.00 -1.62 0.00 0.00 43.42 40.49 1imu n LEU 34 CO 0.25 -3.12 1.98 -0.63 -1.22 0.00 0.00 177.39 174.65 1imu s ILE 35 N 15.61 3.03 -0.14 -0.08 1.01 0.29 -3.84 121.20 137.09 1imu s ILE 35 Ca 0.87 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 61.53 1imu s ILE 35 Cb -0.10 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.28 1imu s ILE 35 CO 0.14 -0.08 0.02 -0.24 0.00 0.00 0.00 174.94 174.78 1imu n SER 36 N 15.33 -6.83 -4.72 3.58 2.88 -1.26 -1.50 113.62 121.10 1imu n SER 36 Ca 0.35 0.95 -0.37 0.00 -1.33 0.00 0.00 58.87 58.46 1imu n SER 36 Cb 0.54 -3.42 -0.06 0.00 -0.75 0.00 0.00 64.21 60.52 1imu n SER 36 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1imu s PRO 37 N -1.17 4.31 0.38 -1.46 0.04 -1.25 -3.23 135.00 132.62 1imu s PRO 37 Ca -0.02 0.35 0.05 0.00 0.04 0.00 0.00 61.00 61.41 1imu s PRO 37 Cb 0.00 -3.44 -0.06 0.00 0.04 0.00 0.00 34.50 31.04 1imu s PRO 37 CO 0.39 0.17 0.04 -1.01 0.04 0.00 0.00 177.00 176.63 1imu s HIS 38 N 0.61 2.12 -0.26 0.56 3.76 0.14 -0.01 115.29 122.21 1imu s HIS 38 Ca 0.23 -0.89 -0.01 0.00 -0.15 0.00 0.00 55.06 54.24 1imu s HIS 38 Cb -0.14 -1.46 0.14 0.00 1.11 0.00 0.00 32.58 32.23 1imu s HIS 38 CO 0.08 0.14 0.40 -0.06 -0.85 0.00 0.00 174.74 174.46 1imu s PHE 39 N -3.06 -0.91 -0.48 1.40 0.40 0.57 -2.78 117.98 113.12 1imu s PHE 39 Ca 0.32 0.72 -0.16 0.00 -0.60 0.00 0.00 56.93 57.21 1imu s PHE 39 Cb 0.08 -0.01 0.07 0.00 0.51 0.00 0.00 43.02 43.67 1imu s PHE 39 CO 0.15 -0.81 0.43 0.08 0.70 0.00 0.00 175.22 175.78 1imu s VAL 40 N 2.56 5.18 0.03 -0.44 1.01 0.13 -2.57 120.40 126.29 1imu s VAL 40 Ca 0.12 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1imu s VAL 40 Cb -0.15 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1imu s VAL 40 CO -0.20 -0.61 -0.06 -1.48 0.00 0.00 0.00 175.10 172.75 1imu s LEU 41 N 1.81 3.22 0.19 3.92 2.34 -1.26 0.94 118.68 129.84 1imu s LEU 41 Ca 0.06 -0.18 -0.12 0.00 0.06 0.00 0.00 54.13 53.95 1imu s LEU 41 Cb -0.23 -1.90 0.00 0.00 -0.56 0.00 0.00 46.19 43.50 1imu s LEU 41 CO 0.08 0.25 0.39 0.20 -1.06 0.00 0.00 176.35 176.20 1imu s ASN 42 N -1.71 -0.07 0.30 1.48 0.01 0.39 -3.41 114.94 111.94 1imu s ASN 42 Ca 0.19 -0.77 0.06 0.00 -0.71 0.00 0.00 52.86 51.63 1imu s ASN 42 Cb -0.11 0.50 -0.06 0.00 0.41 0.00 0.00 41.25 41.99 1imu s ASN 42 CO 0.11 -0.98 -0.02 -0.75 -1.51 0.00 0.00 177.10 173.94 1imu s LYS 43 N -3.95 1.60 0.11 -0.60 2.20 -1.25 -0.05 119.74 117.79 1imu s LYS 43 Ca 0.16 -1.84 -0.25 0.00 -0.36 0.00 0.00 55.97 53.68 1imu s LYS 43 Cb 0.01 -1.12 0.08 0.00 -1.51 0.00 0.00 37.83 35.30 1imu s LYS 43 CO 0.01 -0.03 0.67 0.14 -0.36 0.00 0.00 175.35 175.79 1imu s VAL 44 N -3.06 0.00 0.29 4.02 -7.23 0.36 -4.60 120.40 110.18 1imu s VAL 44 Ca 0.32 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.52 1imu s VAL 44 Cb 0.05 -1.00 0.28 0.00 0.56 0.00 0.00 36.38 36.27 1imu s VAL 44 CO 0.13 0.00 1.75 -0.65 -0.31 0.00 0.00 175.10 176.02 1imu h PRO 45 N 2.05 0.61 -0.01 4.82 0.11 -2.02 0.30 132.00 137.87 1imu h PRO 45 Ca -0.31 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1imu h PRO 45 Cb 1.29 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1imu h PRO 45 CO 0.36 0.40 0.00 0.09 -0.21 0.00 0.00 178.00 178.65 1imu n ASN 46 N -4.87 0.11 0.00 -2.05 5.03 -1.26 -4.99 115.26 107.24 1imu n ASN 46 Ca 0.21 -1.18 0.00 0.00 0.87 0.00 0.00 54.58 54.48 1imu n ASN 46 Cb 0.56 -0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.32 1imu n ASN 46 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1imu n GLY 47 N 0.94 0.20 3.09 7.41 0.00 0.11 -4.23 105.19 112.70 1imu n GLY 47 Ca 0.20 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 1imu n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1imu s PHE 48 N -4.00 2.44 -0.27 1.61 0.40 0.58 0.14 117.98 118.88 1imu s PHE 48 Ca 0.00 -1.33 -0.11 0.00 -0.60 0.00 0.00 56.93 54.89 1imu s PHE 48 Cb 0.00 -1.72 -0.05 0.00 0.51 0.00 0.00 43.02 41.76 1imu s PHE 48 CO 0.00 -0.67 0.17 -1.54 0.70 0.00 0.00 175.22 173.89 1imu s SER 49 N 1.18 5.93 0.12 1.36 1.04 0.92 -0.83 113.70 123.42 1imu s SER 49 Ca 0.00 -0.02 0.07 0.00 0.48 0.00 0.00 55.95 56.48 1imu s SER 49 Cb -0.14 -2.10 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 1imu s SER 49 CO -0.08 -0.04 -0.16 0.54 0.98 0.00 0.00 173.24 174.48 1imu s VAL 50 N 1.69 1.47 -0.15 5.02 0.11 0.11 0.15 120.40 128.80 1imu s VAL 50 Ca 0.07 -1.64 -0.10 0.00 -2.93 0.00 0.00 61.98 57.37 1imu s VAL 50 Cb -0.16 -1.51 0.05 0.00 -1.53 0.00 0.00 36.38 33.23 1imu s VAL 50 CO 0.10 -0.28 0.38 -0.70 -3.33 0.00 0.00 175.10 171.26 1imu s GLU 51 N -2.36 0.39 0.18 1.54 2.12 0.27 0.70 118.70 121.54 1imu s GLU 51 Ca 0.08 0.66 0.09 0.00 0.36 0.00 0.00 54.97 56.15 1imu s GLU 51 Cb -0.07 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.33 1imu s GLU 51 CO 0.04 -0.12 -0.09 0.00 -0.54 0.00 0.00 175.26 174.55 1imu s ALA 52 N 0.93 2.96 -0.22 6.30 0.00 0.11 0.17 121.76 132.01 1imu s ALA 52 Ca -0.06 -1.46 -0.06 0.00 0.00 0.00 0.00 51.96 50.37 1imu s ALA 52 Cb -0.06 -0.75 0.10 0.00 0.00 0.00 0.00 23.12 22.41 1imu s ALA 52 CO -0.07 0.47 0.44 -1.12 0.00 0.00 0.00 175.76 175.48 1imu s SER 53 N -2.82 -0.31 -0.11 0.00 0.01 -1.12 -0.27 113.70 109.08 1imu s SER 53 Ca 0.25 0.94 -0.04 0.00 1.31 0.00 0.00 55.95 58.41 1imu s SER 53 Cb -0.09 1.43 0.05 0.00 0.21 0.00 0.00 66.02 67.62 1imu s SER 53 CO 0.15 -0.24 0.08 -0.63 0.41 0.00 0.00 173.24 173.01 1imu s ILE 54 N 2.64 -0.10 0.66 1.44 1.01 0.13 0.26 121.20 127.23 1imu s ILE 54 Ca 0.01 0.13 -0.18 0.00 0.00 0.00 0.00 60.65 60.61 1imu s ILE 54 Cb -0.13 -0.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.98 1imu s ILE 54 CO -0.14 -0.05 1.28 -0.83 0.00 0.00 0.00 174.94 175.20 1imu s GLY 55 N 2.16 2.79 -0.12 6.18 0.00 -0.56 0.17 107.32 117.94 1imu s GLY 55 Ca 0.04 1.17 -0.14 0.00 0.00 0.00 0.00 44.72 45.78 1imu s GLY 55 CO -0.06 1.59 0.38 -0.51 0.00 0.00 0.00 173.10 174.50 1imu s THR 56 N -1.47 0.01 0.06 0.90 -4.23 -1.24 0.11 115.64 109.78 1imu s THR 56 Ca 0.81 -0.09 0.21 0.00 -1.18 0.00 0.00 61.69 61.45 1imu s THR 56 Cb -0.36 -0.57 0.21 0.00 1.34 0.00 0.00 72.50 73.12 1imu s THR 56 CO 0.40 -0.05 1.61 -0.65 -0.54 0.00 0.00 174.62 175.39 1imu h PRO 57 N 5.15 0.00 -0.01 3.99 0.11 -1.97 0.34 132.00 139.61 1imu h PRO 57 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1imu h PRO 57 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1imu h PRO 57 CO 0.29 0.00 -0.46 1.28 -0.21 0.00 0.00 178.00 178.90 1imu n LEU 58 N -2.32 1.79 0.00 2.35 4.32 -1.26 -5.02 117.00 116.85 1imu n LEU 58 Ca -0.01 -0.74 0.00 0.00 -0.02 0.00 0.00 56.01 55.24 1imu n LEU 58 Cb 0.19 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 1imu n LEU 58 CO 0.09 0.34 0.00 0.61 -1.22 0.00 0.00 177.39 177.22 1imu n GLY 59 N 1.33 4.12 3.69 -0.72 0.00 0.12 -4.85 105.19 108.87 1imu n GLY 59 Ca 0.08 -0.62 -0.53 0.00 0.00 0.00 0.00 46.02 44.95 1imu n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1imu n ASN 60 N 0.00 2.85 -4.76 1.61 3.02 -1.25 -3.66 115.26 113.06 1imu n ASN 60 Ca 0.00 0.99 -0.40 0.00 -0.03 0.00 0.00 54.58 55.14 1imu n ASN 60 Cb 0.00 -1.25 -0.04 0.00 -0.61 0.00 0.00 39.78 37.88 1imu n ASN 60 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1imu s LEU 61 N 4.02 4.53 -0.02 3.41 1.43 0.45 -4.86 118.68 127.64 1imu s LEU 61 Ca 0.97 2.33 -0.20 0.00 -1.03 0.00 0.00 54.13 56.20 1imu s LEU 61 Cb -0.90 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 41.72 1imu s LEU 61 CO 0.59 -0.21 0.43 -0.76 0.23 0.00 0.00 176.35 176.63 1imu s LEU 62 N -1.52 0.38 0.11 1.79 1.43 -1.26 0.17 118.68 119.79 1imu s LEU 62 Ca 0.45 0.26 -0.26 0.00 -1.03 0.00 0.00 54.13 53.55 1imu s LEU 62 Cb -0.33 1.67 0.07 0.00 0.03 0.00 0.00 46.19 47.64 1imu s LEU 62 CO 0.43 -0.51 0.86 0.00 0.23 0.00 0.00 176.35 177.35 1imu s ALA 63 N -1.39 -1.66 -0.28 4.21 0.00 0.63 -4.60 121.76 118.67 1imu s ALA 63 Ca -0.12 0.44 -0.24 0.00 0.00 0.00 0.00 51.96 52.04 1imu s ALA 63 Cb -0.03 0.62 0.10 0.00 0.00 0.00 0.00 23.12 23.80 1imu s ALA 63 CO 0.05 -0.88 0.88 -1.54 0.00 0.00 0.00 175.76 174.27 1imu s SER 64 N -2.75 -0.61 -0.11 0.00 1.04 -1.26 0.08 113.70 110.09 1imu s SER 64 Ca 0.08 1.15 -0.11 0.00 0.48 0.00 0.00 55.95 57.55 1imu s SER 64 Cb -0.02 1.18 0.03 0.00 0.10 0.00 0.00 66.02 67.31 1imu s SER 64 CO -0.03 -0.20 0.32 0.00 0.98 0.00 0.00 173.24 174.31 1imu s ALA 65 N 0.43 -0.79 -0.18 5.32 0.00 0.22 -4.89 121.76 121.87 1imu s ALA 65 Ca 0.00 0.87 0.01 0.00 0.00 0.00 0.00 51.96 52.84 1imu s ALA 65 Cb -0.05 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.60 1imu s ALA 65 CO -0.04 -0.16 -0.20 0.99 0.00 0.00 0.00 175.76 176.35 1imu s THR 66 N 0.08 2.07 0.11 0.00 2.01 -1.25 0.08 115.64 118.74 1imu s THR 66 Ca -0.01 -0.96 -0.25 0.00 0.31 0.00 0.00 61.69 60.78 1imu s THR 66 Cb -0.02 -1.88 0.07 0.00 0.01 0.00 0.00 72.50 70.68 1imu s THR 66 CO 0.01 0.52 0.63 -0.44 -0.69 0.00 0.00 174.62 174.64 1imu s SER 67 N 1.29 -0.59 0.00 3.53 0.01 -0.01 -4.88 113.70 113.05 1imu s SER 67 Ca 0.05 0.17 0.23 0.00 1.31 0.00 0.00 55.95 57.70 1imu s SER 67 Cb -0.13 0.58 1.35 0.00 0.21 0.00 0.00 66.02 68.03 1imu s SER 67 CO -0.13 -0.88 1.74 -0.67 0.41 0.00 0.00 173.24 173.71 1imu n ASP 68 N -0.07 0.00 -4.07 2.44 2.03 -1.26 0.22 116.55 115.83 1imu n ASP 68 Ca -0.17 -0.79 -0.34 0.00 0.52 0.00 0.00 54.79 54.01 1imu n ASP 68 Cb 0.63 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.91 1imu n ASP 68 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1imu s ASP 69 N -1.96 5.01 0.00 1.67 1.11 -1.26 -4.80 116.67 116.44 1imu s ASP 69 Ca 0.34 -2.47 0.00 0.00 0.18 0.00 0.00 52.55 50.60 1imu s ASP 69 Cb 0.16 -1.77 0.00 0.00 1.07 0.00 0.00 42.92 42.37 1imu s ASP 69 CO 0.26 -0.41 0.93 0.23 1.18 0.00 0.00 175.17 177.36 1imu n MET 70 N 3.94 0.00 0.29 8.23 2.81 -1.26 0.15 117.12 131.28 1imu n MET 70 Ca 0.03 0.93 0.16 0.00 -1.81 0.00 0.00 57.70 57.01 1imu n MET 70 Cb 0.39 -1.40 0.89 0.00 -0.71 0.00 0.00 33.22 32.39 1imu n MET 70 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 1imu h TYR 71 N 0.00 0.00 -0.03 2.03 -1.99 -1.97 0.55 116.97 115.56 1imu h TYR 71 Ca 0.00 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.49 1imu h TYR 71 Cb 0.00 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.74 1imu h TYR 71 CO -0.86 0.05 -0.95 -0.22 -0.00 0.00 0.00 178.16 176.17 1imu h LYS 72 N 0.00 0.62 -0.30 4.88 3.64 -1.20 1.53 116.57 125.74 1imu h LYS 72 Ca -0.00 -0.63 -0.01 0.00 -1.27 0.00 0.00 60.65 58.75 1imu h LYS 72 Cb 0.18 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1imu h LYS 72 CO 0.01 1.23 0.17 0.00 -2.27 0.00 0.00 179.45 178.59 1imu h ALA 73 N 0.55 0.39 -0.49 5.00 0.00 0.28 1.60 119.26 126.59 1imu h ALA 73 Ca -0.10 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1imu h ALA 73 Cb 1.59 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1imu h ALA 73 CO 0.18 -0.09 0.05 0.82 0.00 0.00 0.00 179.25 180.21 1imu h ILE 74 N 0.37 1.23 -0.98 0.00 5.03 -0.88 0.30 117.51 122.59 1imu h ILE 74 Ca 0.11 -0.91 0.06 0.00 -0.12 0.00 0.00 64.86 64.00 1imu h ILE 74 Cb 0.05 0.80 -0.06 0.00 -3.03 0.00 0.00 36.82 34.58 1imu h ILE 74 CO -0.02 0.33 0.64 -1.13 -0.68 0.00 0.00 178.15 177.29 1imu h ASN 75 N 0.74 1.02 0.18 1.72 -0.73 0.44 0.13 115.58 119.08 1imu h ASN 75 Ca 0.15 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.32 1imu h ASN 75 Cb 0.38 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.75 1imu h ASN 75 CO 0.01 0.66 -0.09 -0.08 -0.37 0.00 0.00 177.43 177.57 1imu h GLU 76 N 1.16 -0.23 -0.49 6.67 4.81 0.38 -3.00 114.58 123.87 1imu h GLU 76 Ca 0.42 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.76 1imu h GLU 76 Cb 0.14 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.47 1imu h GLU 76 CO -0.16 0.18 -0.26 0.28 -0.73 0.00 0.00 179.01 178.32 1imu h VAL 77 N -0.84 0.29 -0.90 0.32 2.07 -0.10 0.51 116.25 117.60 1imu h VAL 77 Ca -0.02 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.68 1imu h VAL 77 Cb 0.52 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 1imu h VAL 77 CO 0.04 0.00 0.59 -0.08 0.02 0.00 0.00 177.57 178.14 1imu h GLU 78 N -0.15 0.51 -0.18 1.57 4.22 -0.83 1.06 114.58 120.76 1imu h GLU 78 Ca 0.22 -0.03 -0.07 0.00 0.08 0.00 0.00 59.36 59.56 1imu h GLU 78 Cb 0.50 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1imu h GLU 78 CO -0.58 0.34 -0.17 1.49 -2.18 0.00 0.00 179.01 177.90 1imu h GLU 79 N 0.52 0.44 0.50 1.92 4.57 0.00 0.24 114.58 122.77 1imu h GLU 79 Ca 0.47 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.40 1imu h GLU 79 Cb 1.00 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1imu h GLU 79 CO -0.20 0.79 -0.24 -0.22 -1.18 0.00 0.00 179.01 177.96 1imu h LYS 80 N 0.10 -0.65 -0.65 1.92 3.64 0.18 0.51 116.57 121.63 1imu h LYS 80 Ca 0.03 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.57 1imu h LYS 80 Cb 0.70 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 32.59 1imu h LYS 80 CO 0.04 -0.36 0.22 1.25 -2.27 0.00 0.00 179.45 178.34 1imu h LEU 81 N -0.86 0.18 0.07 5.20 7.12 0.98 0.24 115.31 128.24 1imu h LEU 81 Ca -0.07 0.09 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 1imu h LEU 81 Cb 0.59 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.81 1imu h LEU 81 CO 0.11 0.10 -0.03 -0.08 -0.13 0.00 0.00 178.44 178.41 1imu h GLU 82 N 0.38 -0.09 -0.52 1.25 4.22 -0.38 0.11 114.58 119.56 1imu h GLU 82 Ca 0.34 0.01 0.10 0.00 0.08 0.00 0.00 59.36 59.89 1imu h GLU 82 Cb 0.47 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.63 1imu h GLU 82 CO -0.36 0.10 -0.16 -0.09 -2.18 0.00 0.00 179.01 176.32 1imu h ARG 83 N -0.26 -0.04 -0.36 1.92 2.43 0.11 0.40 114.38 118.58 1imu h ARG 83 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1imu h ARG 83 Cb 0.22 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1imu h ARG 83 CO 0.01 -0.02 0.24 1.96 -1.51 0.00 0.00 179.97 180.65 1imu h GLN 84 N -0.04 0.48 -0.61 0.20 4.20 -0.39 0.78 115.11 119.73 1imu h GLN 84 Ca 0.25 -0.03 0.12 0.00 0.06 0.00 0.00 58.65 59.05 1imu h GLN 84 Cb 0.42 -0.11 -0.11 0.00 0.30 0.00 0.00 27.48 27.98 1imu h GLN 84 CO -0.55 0.32 -0.11 -0.07 -0.67 0.00 0.00 178.83 177.75 1imu h LEU 85 N 0.49 -0.48 -0.97 1.46 3.38 0.20 1.01 115.31 120.40 1imu h LEU 85 Ca 0.13 0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.31 1imu h LEU 85 Cb -0.05 0.35 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1imu h LEU 85 CO -0.03 -0.18 0.63 -1.13 0.09 0.00 0.00 178.44 177.82 1imu h ASN 86 N 0.03 1.05 -0.14 -0.43 -0.73 0.55 0.16 115.58 116.07 1imu h ASN 86 Ca 0.30 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.45 1imu h ASN 86 Cb 0.47 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 1imu h ASN 86 CO -0.60 0.72 0.05 0.50 -0.37 0.00 0.00 177.43 177.73 1imu h LYS 87 N 1.22 0.22 0.42 6.67 3.64 0.27 0.50 116.57 129.50 1imu h LYS 87 Ca 0.39 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1imu h LYS 87 Cb 0.00 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1imu h LYS 87 CO -0.12 0.34 -0.33 -0.07 -2.27 0.00 0.00 179.45 177.00 1imu h LEU 88 N 0.06 -0.85 -2.00 5.20 3.38 0.14 1.60 115.31 122.83 1imu h LEU 88 Ca 0.05 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1imu h LEU 88 Cb 0.21 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1imu h LEU 88 CO -0.00 -0.48 -0.05 1.56 0.09 0.00 0.00 178.44 179.55 1imu h GLN 89 N -0.74 0.00 0.00 1.13 4.20 -0.68 -3.22 115.11 115.80 1imu h GLN 89 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1imu h GLN 89 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1imu h GLN 89 CO -0.00 0.05 -0.01 0.45 -0.67 0.00 0.00 178.83 178.65 1imu h HIS 90 N 0.00 0.00 -0.69 2.96 3.86 0.91 -3.47 115.15 118.71 1imu h HIS 90 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1imu h HIS 90 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1imu h HIS 90 CO 0.00 0.00 0.00 1.17 0.86 0.00 0.00 177.93 179.96 1imu n LYS 91 N -3.34 -0.85 -3.62 2.45 3.00 0.54 -5.05 118.16 111.28 1imu n LYS 91 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 1imu n LYS 91 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 1imu n LYS 91 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1imu s SER 92 N -1.84 -0.22 -0.52 3.14 0.01 -1.26 -4.91 113.70 108.10 1imu s SER 92 Ca 0.00 0.92 -0.02 0.00 1.31 0.00 0.00 55.95 58.17 1imu s SER 92 Cb 0.00 1.34 0.32 0.00 0.21 0.00 0.00 66.02 67.89 1imu s SER 92 CO 0.00 -0.24 2.08 1.21 0.41 0.00 0.00 173.24 176.70 1imu n GLU 93 N 5.39 2.31 0.01 12.44 2.13 -1.26 -4.35 120.64 137.30 1imu n GLU 93 Ca -0.08 -2.53 -0.09 0.00 0.66 0.00 0.00 57.16 55.12 1imu n GLU 93 Cb 0.49 -2.00 -0.13 0.00 0.27 0.00 0.00 31.44 30.07 1imu n GLU 93 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1imu h SER 94 N 1.90 0.03 -5.27 4.31 0.02 -2.00 -3.48 113.55 109.06 1imu h SER 94 Ca 0.46 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 61.25 1imu h SER 94 Cb 0.80 -0.01 -0.13 0.00 0.14 0.00 0.00 62.40 63.20 1imu h SER 94 CO 1.20 1.04 -0.40 -0.13 -1.14 0.00 0.00 176.83 177.41 1imu s ARG 95 N -2.63 1.04 0.21 3.45 0.52 -1.26 -5.09 118.95 115.19 1imu s ARG 95 Ca -0.04 -1.18 0.00 0.00 -0.52 0.00 0.00 55.73 54.00 1imu s ARG 95 Cb 0.08 0.34 0.00 0.00 0.52 0.00 0.00 34.95 35.90 1imu s ARG 95 CO 0.82 -0.36 0.00 0.54 0.02 0.00 0.00 175.30 176.33 1imu n ARG 96 N -0.15 -4.98 -2.71 3.54 3.00 -1.26 -5.03 116.66 109.06 1imu n ARG 96 Ca -0.09 3.58 -0.08 0.00 -0.01 0.00 0.00 57.85 61.26 1imu n ARG 96 Cb 0.63 -3.81 0.11 0.00 0.00 0.00 0.00 32.46 29.38 1imu n ARG 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1imu n ALA 97 N 1.51 0.75 -0.01 7.54 0.00 -1.26 -4.96 120.51 124.08 1imu n ALA 97 Ca 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 53.44 52.04 1imu n ALA 97 Cb 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 1imu n ALA 97 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1imu n ASP 98 N -0.33 4.32 -4.68 0.00 2.03 -1.26 -5.02 116.55 111.60 1imu n ASP 98 Ca -0.00 -0.00 -0.50 0.00 0.52 0.00 0.00 54.79 54.80 1imu n ASP 98 Cb 0.81 0.30 -0.05 0.00 -0.72 0.00 0.00 41.12 41.46 1imu n ASP 98 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1imu n GLU 99 N -2.26 1.94 -2.81 -0.67 0.28 -1.26 -4.90 120.64 110.96 1imu n GLU 99 Ca -0.03 0.71 -0.02 0.00 -0.16 0.00 0.00 57.16 57.67 1imu n GLU 99 Cb 0.54 -2.51 0.01 0.00 1.43 0.00 0.00 31.44 30.91 1imu n GLU 99 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1imu n ARG 100 N 6.06 0.39 -2.68 3.44 0.63 -1.26 -5.10 116.66 118.15 1imu n ARG 100 Ca 0.23 -0.87 -0.00 0.00 -0.92 0.00 0.00 57.85 56.28 1imu n ARG 100 Cb 0.26 1.18 -0.00 0.00 0.45 0.00 0.00 32.46 34.34 1imu n ARG 100 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1imu n LEU 101 N 0.00 -7.79 -0.05 6.15 7.94 -1.26 -5.02 117.00 116.96 1imu n LEU 101 Ca -0.01 1.44 -0.10 0.00 -1.11 0.00 0.00 56.01 56.23 1imu n LEU 101 Cb 0.33 -3.29 -0.04 0.00 0.53 0.00 0.00 43.42 40.96 1imu n LEU 101 CO 0.12 -3.18 -0.84 1.17 -1.11 0.00 0.00 177.39 173.55 1imu n LYS 102 N 0.73 0.21 -2.33 1.96 3.00 -1.26 -5.12 118.16 115.36 1imu n LYS 102 Ca -0.02 0.09 -0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1imu n LYS 102 Cb 0.03 -0.90 -0.00 0.00 0.00 0.00 0.00 35.03 34.16 1imu n LYS 102 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1imu n ASP 103 N -3.36 -9.20 -4.78 3.14 8.00 -1.26 -4.95 116.55 104.15 1imu n ASP 103 Ca -0.19 1.82 -0.39 0.00 0.71 0.00 0.00 54.79 56.73 1imu n ASP 103 Cb 0.64 -5.14 -0.06 0.00 -0.02 0.00 0.00 41.12 36.55 1imu n ASP 103 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1imu s SER 104 N -0.59 7.23 -0.41 -2.24 1.04 -1.26 -5.00 113.70 112.47 1imu s SER 104 Ca -0.01 1.46 -0.01 0.00 0.48 0.00 0.00 55.95 57.87 1imu s SER 104 Cb 0.00 -2.44 0.20 0.00 0.10 0.00 0.00 66.02 63.88 1imu s SER 104 CO 0.02 0.17 0.94 0.12 0.98 0.00 0.00 173.24 175.47 1imu s PHE 105 N -0.78 -0.86 -1.70 5.02 2.19 -1.26 -4.94 117.98 115.65 1imu s PHE 105 Ca 0.34 -0.26 -0.01 0.00 0.33 0.00 0.00 56.93 57.34 1imu s PHE 105 Cb -0.21 0.17 0.00 0.00 -1.31 0.00 0.00 43.02 41.67 1imu s PHE 105 CO 0.23 -0.67 0.10 0.39 1.83 0.00 0.00 175.22 177.09 1imu n GLU 106 N 2.86 -2.12 0.00 10.12 1.02 -1.26 -5.33 120.64 125.93 1imu n GLU 106 Ca 0.14 0.97 0.00 0.00 -0.02 0.00 0.00 57.16 58.24 1imu n GLU 106 Cb 0.61 -5.62 0.00 0.00 -0.02 0.00 0.00 31.44 26.41 1imu n GLU 106 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40