#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1imu s THR 2 N 0.00 3.77 0.04 2.03 -4.23 -1.26 -4.94 115.64 111.05 1imu s THR 2 Ca 0.00 0.87 -0.30 0.00 -1.18 0.00 0.00 61.69 61.08 1imu s THR 2 Cb 0.00 -3.77 -0.05 0.00 1.34 0.00 0.00 72.50 70.02 1imu s THR 2 CO 0.00 -0.31 1.11 -1.48 -0.54 0.00 0.00 174.62 173.40 1imu s LEU 3 N 5.01 4.37 0.37 4.79 -0.00 -1.26 -4.70 118.68 127.26 1imu s LEU 3 Ca 0.69 1.88 -0.00 0.00 -0.00 0.00 0.00 54.13 56.70 1imu s LEU 3 Cb -0.24 -3.58 -0.03 0.00 -0.00 0.00 0.00 46.19 42.34 1imu s LEU 3 CO 0.28 -0.38 0.59 0.20 -0.00 0.00 0.00 176.35 177.04 1imu s ASN 4 N 1.00 6.26 0.05 1.48 0.01 0.77 -4.89 114.94 119.62 1imu s ASN 4 Ca 0.56 0.52 0.04 0.00 -0.71 0.00 0.00 52.86 53.26 1imu s ASN 4 Cb -0.26 -2.04 -0.02 0.00 0.41 0.00 0.00 41.25 39.34 1imu s ASN 4 CO 0.29 -0.36 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.77 1imu s ILE 5 N -2.40 0.87 -0.00 0.60 1.09 -1.26 -0.26 121.20 119.83 1imu s ILE 5 Ca 0.42 -1.09 -0.00 0.00 -1.10 0.00 0.00 60.65 58.87 1imu s ILE 5 Cb -0.10 -0.85 -0.00 0.00 -1.06 0.00 0.00 42.46 40.45 1imu s ILE 5 CO 0.38 -0.21 -0.01 0.41 -0.10 0.00 0.00 174.94 175.41 1imu n THR 6 N 1.59 0.05 -2.15 2.92 -1.04 0.26 -4.88 114.28 111.04 1imu n THR 6 Ca -0.20 0.34 -0.03 0.00 -2.04 0.00 0.00 64.05 62.11 1imu n THR 6 Cb 0.55 -1.38 -0.03 0.00 -1.82 0.00 0.00 70.33 67.65 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 -2.56 -1.33 -0.15 8.00 7.64 -1.25 -4.88 113.62 119.09 1imu n SER 7 Ca -0.00 0.80 -0.09 0.00 1.01 0.00 0.00 58.87 60.58 1imu n SER 7 Cb 0.01 -3.52 -0.00 0.00 -1.01 0.00 0.00 64.21 59.69 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 2.36 0.66 0.00 1.43 2.10 -1.72 -3.44 116.57 117.95 1imu h LYS 8 Ca -0.31 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1imu h LYS 8 Cb 0.71 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1imu h LYS 8 CO 0.01 0.64 0.00 0.00 -2.00 0.00 0.00 179.45 178.10 1imu n GLN 9 N -4.58 0.00 -1.35 0.07 10.64 -1.26 -5.00 117.38 115.90 1imu n GLN 9 Ca 0.00 0.00 -0.54 0.00 -1.83 0.00 0.00 57.00 54.63 1imu n GLN 9 Cb 0.18 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.46 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 -0.12 0.52 -0.24 2.61 0.00 -1.26 -4.90 117.12 113.73 1imu n MET 10 Ca 0.00 0.14 -0.25 0.00 0.00 0.00 0.00 57.70 57.59 1imu n MET 10 Cb 0.00 -1.98 0.24 0.00 0.00 0.00 0.00 33.22 31.48 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 8.86 -3.79 -4.88 3.17 9.92 -1.26 -4.81 116.55 123.76 1imu n ASP 11 Ca 0.49 -0.72 -0.35 0.00 -0.53 0.00 0.00 54.79 53.68 1imu n ASP 11 Cb 0.10 -0.86 -0.05 0.00 -0.64 0.00 0.00 41.12 39.67 1imu n ASP 11 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1imu s ILE 12 N -1.97 5.33 0.18 0.53 -1.09 -1.26 -5.04 121.20 117.89 1imu s ILE 12 Ca 0.55 0.23 -0.04 0.00 -2.23 0.00 0.00 60.65 59.16 1imu s ILE 12 Cb -0.10 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 1imu s ILE 12 CO 0.46 0.45 0.18 0.42 -1.23 0.00 0.00 174.94 175.22 1imu s THR 13 N -1.21 0.03 0.37 2.92 -4.23 -1.26 -4.97 115.64 107.30 1imu s THR 13 Ca 0.24 -1.82 0.24 0.00 -1.18 0.00 0.00 61.69 59.17 1imu s THR 13 Cb -0.13 -2.26 0.39 0.00 1.34 0.00 0.00 72.50 71.84 1imu s THR 13 CO 0.13 -0.16 1.45 -2.65 -0.54 0.00 0.00 174.62 172.86 1imu n PRO 14 N -0.23 -0.05 0.00 3.99 -0.02 -1.26 -0.75 135.00 136.69 1imu n PRO 14 Ca -0.02 1.22 0.00 0.00 -2.02 0.00 0.00 63.50 62.69 1imu n PRO 14 Cb 0.64 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1imu n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1imu n ALA 15 N -2.41 0.00 -0.09 3.55 0.00 -1.26 -0.95 120.51 119.34 1imu n ALA 15 Ca 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.72 1imu n ALA 15 Cb 1.31 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.74 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 0.23 -0.48 0.00 -2.65 -1.89 0.75 117.51 113.47 1imu h ILE 16 Ca 0.00 0.00 0.04 0.00 1.03 0.00 0.00 64.86 65.93 1imu h ILE 16 Cb 0.00 0.23 -0.06 0.00 -2.05 0.00 0.00 36.82 34.94 1imu h ILE 16 CO 0.00 0.00 -0.30 0.03 0.03 0.00 0.00 178.15 177.91 1imu h ARG 17 N -0.29 -0.02 -0.85 0.16 2.47 -1.05 1.75 114.38 116.54 1imu h ARG 17 Ca 0.15 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 58.97 1imu h ARG 17 Cb 0.55 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.80 1imu h ARG 17 CO -0.50 -0.02 0.50 1.49 0.56 0.00 0.00 179.97 182.00 1imu h GLU 18 N -0.02 0.80 0.00 0.04 4.81 -0.31 0.19 114.58 120.08 1imu h GLU 18 Ca 0.08 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1imu h GLU 18 Cb 0.22 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1imu h GLU 18 CO -0.46 0.53 0.00 1.58 -0.73 0.00 0.00 179.01 179.93 1imu n HIS 19 N -4.72 0.00 -0.32 0.92 -0.00 0.25 0.89 115.22 112.24 1imu n HIS 19 Ca 0.14 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.34 1imu n HIS 19 Cb 0.29 -0.49 0.08 0.00 -0.12 0.00 0.00 29.99 29.75 1imu n HIS 19 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1imu h LEU 20 N 0.00 -1.04 0.57 0.27 3.38 0.25 1.37 115.31 120.10 1imu h LEU 20 Ca 0.00 0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 1imu h LEU 20 Cb 0.00 0.61 0.01 0.00 0.09 0.00 0.00 40.66 41.37 1imu h LEU 20 CO 0.00 -0.30 -0.27 -0.33 0.09 0.00 0.00 178.44 177.63 1imu h GLU 21 N -0.02 -0.74 -0.95 1.13 5.08 -0.61 0.09 114.58 118.56 1imu h GLU 21 Ca 0.38 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.93 1imu h GLU 21 Cb 0.62 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 29.96 1imu h GLU 21 CO -0.91 -0.49 0.60 1.49 -1.00 0.00 0.00 179.01 178.71 1imu h GLU 22 N -0.77 0.79 0.49 2.33 4.22 0.27 0.35 114.58 122.25 1imu h GLU 22 Ca -0.08 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.29 1imu h GLU 22 Cb 0.59 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1imu h GLU 22 CO 0.13 0.52 -0.24 0.00 -2.18 0.00 0.00 179.01 177.24 1imu h ARG 23 N 0.81 -0.64 -0.52 1.92 2.47 0.23 0.31 114.38 118.95 1imu h ARG 23 Ca 0.49 0.04 0.02 0.00 -1.26 0.00 0.00 59.98 59.27 1imu h ARG 23 Cb 0.67 0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 29.11 1imu h ARG 23 CO -0.25 -0.43 0.32 1.25 0.56 0.00 0.00 179.97 181.42 1imu h LEU 24 N -0.67 0.53 -1.73 3.04 5.85 0.01 0.30 115.31 122.65 1imu h LEU 24 Ca -0.07 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.75 1imu h LEU 24 Cb 0.51 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1imu h LEU 24 CO 0.10 0.38 0.37 0.00 -0.34 0.00 0.00 178.44 178.95 1imu h ALA 25 N 1.22 2.09 -0.01 1.25 0.00 -0.05 0.32 119.26 124.08 1imu h ALA 25 Ca 0.20 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.85 1imu h ALA 25 Cb -0.01 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.74 1imu h ALA 25 CO -0.08 -0.22 -1.00 -0.22 0.00 0.00 0.00 179.25 177.74 1imu h LYS 26 N 0.31 0.63 0.00 0.00 1.63 0.16 -2.97 116.57 116.32 1imu h LYS 26 Ca 0.25 -0.66 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 1imu h LYS 26 Cb 0.57 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 1imu h LYS 26 CO -0.06 1.26 0.00 1.28 -3.45 0.00 0.00 179.45 178.48 1imu n LEU 27 N -3.83 0.00 0.10 5.20 4.77 0.87 -3.17 117.00 120.94 1imu n LEU 27 Ca -0.10 0.46 0.03 0.00 -0.03 0.00 0.00 56.01 56.37 1imu n LEU 27 Cb 0.86 -0.46 0.40 0.00 -2.33 0.00 0.00 43.42 41.89 1imu n LEU 27 CO 0.54 -0.14 0.95 1.23 -1.33 0.00 0.00 177.39 178.65 1imu h GLY 28 N 3.51 0.32 1.99 -0.72 0.00 -0.32 -1.61 103.07 106.24 1imu h GLY 28 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1imu h GLY 28 CO 0.00 0.17 0.00 0.58 0.00 0.00 0.00 176.54 177.29 1imu n LYS 29 N -4.33 0.01 -2.59 4.80 2.85 -1.19 -4.56 118.16 113.14 1imu n LYS 29 Ca -0.00 0.21 -0.41 0.00 -1.05 0.00 0.00 58.31 57.06 1imu n LYS 29 Cb 0.22 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.07 1imu n LYS 29 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1imu s TRP 30 N -2.99 2.36 0.00 5.58 0.52 -0.61 -4.85 118.94 118.96 1imu s TRP 30 Ca 0.08 -0.07 0.00 0.00 0.02 0.00 0.00 56.10 56.13 1imu s TRP 30 Cb 0.11 -4.57 0.00 0.00 -1.15 0.00 0.00 33.47 27.85 1imu s TRP 30 CO 0.30 -1.98 0.30 0.00 0.02 0.00 0.00 176.95 175.59 1imu n GLN 31 N 9.08 0.00 -3.71 4.98 0.00 -1.26 -4.65 117.38 121.82 1imu n GLN 31 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 57.00 56.94 1imu n GLN 31 Cb 0.49 -0.45 -0.02 0.00 0.00 0.00 0.00 30.24 30.25 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 0.95 0.00 -0.40 -0.39 2.01 -1.26 -4.98 115.64 111.58 1imu s THR 32 Ca 0.00 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.35 1imu s THR 32 Cb 0.00 -1.63 0.12 0.00 0.01 0.00 0.00 72.50 71.00 1imu s THR 32 CO 0.00 -0.02 0.16 0.00 -0.69 0.00 0.00 174.62 174.07 1imu s GLN 33 N -3.86 1.29 -0.77 4.92 0.00 -1.26 -5.00 119.66 114.98 1imu s GLN 33 Ca 0.08 -1.83 -0.23 0.00 -0.00 0.00 0.00 55.36 53.37 1imu s GLN 33 Cb -0.04 -2.61 -0.16 0.00 0.00 0.00 0.00 33.01 30.20 1imu s GLN 33 CO -0.01 -1.05 2.39 1.28 0.00 0.00 0.00 175.29 177.90 1imu n LEU 34 N 3.98 1.25 -4.57 2.60 7.99 -1.25 -4.42 117.00 122.58 1imu n LEU 34 Ca 0.04 -0.98 -0.22 0.00 -0.01 0.00 0.00 56.01 54.84 1imu n LEU 34 Cb 0.38 -1.40 -0.06 0.00 -0.11 0.00 0.00 43.42 42.23 1imu n LEU 34 CO 0.22 -2.05 1.31 -0.63 -1.51 0.00 0.00 177.39 174.74 1imu s ILE 35 N 11.28 3.31 -0.25 -0.08 1.01 0.33 -4.12 121.20 132.68 1imu s ILE 35 Ca 1.04 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 61.30 1imu s ILE 35 Cb -0.35 -3.86 0.02 0.00 0.01 0.00 0.00 42.46 38.28 1imu s ILE 35 CO 0.24 -0.62 0.10 -0.24 0.00 0.00 0.00 174.94 174.42 1imu n SER 36 N 15.90 -4.95 -4.77 3.58 2.88 -1.26 -3.16 113.62 121.85 1imu n SER 36 Ca 0.43 1.37 -0.37 0.00 -1.33 0.00 0.00 58.87 58.97 1imu n SER 36 Cb 0.46 -5.15 -0.07 0.00 -0.75 0.00 0.00 64.21 58.70 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 -1.21 4.09 0.44 -1.46 0.04 -1.26 -3.73 135.00 131.91 1imu s PRO 37 Ca -0.12 0.13 0.04 0.00 0.04 0.00 0.00 61.00 61.09 1imu s PRO 37 Cb 0.01 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1imu s PRO 37 CO 0.76 0.39 0.03 -1.58 0.04 0.00 0.00 177.00 176.63 1imu s HIS 38 N 0.00 2.09 -0.22 0.56 2.46 0.29 -0.17 115.29 120.30 1imu s HIS 38 Ca 0.18 -0.91 -0.04 0.00 0.47 0.00 0.00 55.06 54.76 1imu s HIS 38 Cb -0.14 -1.56 0.12 0.00 -0.13 0.00 0.00 32.58 30.87 1imu s HIS 38 CO 0.06 0.20 0.38 -0.06 -2.47 0.00 0.00 174.74 172.84 1imu s PHE 39 N -2.93 -0.78 -0.43 3.88 0.40 0.64 -2.91 117.98 115.84 1imu s PHE 39 Ca 0.22 1.00 -0.20 0.00 -0.60 0.00 0.00 56.93 57.36 1imu s PHE 39 Cb 0.06 0.08 0.02 0.00 0.51 0.00 0.00 43.02 43.69 1imu s PHE 39 CO 0.11 -0.63 0.58 0.08 0.70 0.00 0.00 175.22 176.06 1imu s VAL 40 N 2.55 4.91 -0.16 -0.44 1.01 0.35 -0.57 120.40 128.05 1imu s VAL 40 Ca 0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 1imu s VAL 40 Cb -0.14 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1imu s VAL 40 CO -0.14 -0.54 0.09 -0.76 0.00 0.00 0.00 175.10 173.75 1imu s LEU 41 N 2.61 4.04 0.08 3.92 1.43 -1.26 -0.11 118.68 129.39 1imu s LEU 41 Ca 0.19 0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 53.39 1imu s LEU 41 Cb -0.15 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.09 1imu s LEU 41 CO 0.17 0.27 0.33 0.20 0.23 0.00 0.00 176.35 177.55 1imu s ASN 42 N -0.20 -0.13 0.32 2.29 0.01 0.61 -1.72 114.94 116.12 1imu s ASN 42 Ca 0.09 -0.29 0.05 0.00 -0.71 0.00 0.00 52.86 51.99 1imu s ASN 42 Cb -0.12 0.40 -0.06 0.00 0.41 0.00 0.00 41.25 41.88 1imu s ASN 42 CO 0.01 -0.72 0.02 -0.75 -1.51 0.00 0.00 177.10 174.15 1imu s LYS 43 N -3.19 1.64 0.09 -0.60 2.20 -1.26 -0.01 119.74 118.61 1imu s LYS 43 Ca -0.01 -1.89 -0.25 0.00 -0.36 0.00 0.00 55.97 53.46 1imu s LYS 43 Cb 0.01 -0.99 0.08 0.00 -1.51 0.00 0.00 37.83 35.42 1imu s LYS 43 CO -0.07 -0.12 0.68 0.14 -0.36 0.00 0.00 175.35 175.62 1imu s VAL 44 N -3.18 0.00 0.28 4.02 -7.23 0.30 -4.60 120.40 109.99 1imu s VAL 44 Ca 0.34 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.53 1imu s VAL 44 Cb 0.08 -1.00 0.27 0.00 0.56 0.00 0.00 36.38 36.28 1imu s VAL 44 CO 0.14 0.00 1.73 -0.65 -0.31 0.00 0.00 175.10 176.02 1imu h PRO 45 N 2.12 0.52 -0.01 4.82 0.11 -2.02 0.33 132.00 137.87 1imu h PRO 45 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1imu h PRO 45 Cb 1.27 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1imu h PRO 45 CO 0.36 0.35 0.00 0.27 -0.21 0.00 0.00 178.00 178.77 1imu n ASN 46 N -4.94 0.15 0.00 -2.05 6.94 -1.26 -4.99 115.26 109.12 1imu n ASN 46 Ca 0.20 -1.31 0.00 0.00 -0.02 0.00 0.00 54.58 53.45 1imu n ASN 46 Cb 0.55 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 1imu n ASN 46 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1imu n GLY 47 N 0.89 0.11 3.10 4.83 0.00 0.11 -4.24 105.19 110.00 1imu n GLY 47 Ca 0.17 -1.06 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 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 1.81 -0.23 1.61 0.08 0.48 0.11 117.98 117.84 1imu s PHE 48 Ca 0.00 -0.67 -0.05 0.00 0.12 0.00 0.00 56.93 56.33 1imu s PHE 48 Cb 0.00 -1.26 -0.02 0.00 -0.57 0.00 0.00 43.02 41.17 1imu s PHE 48 CO 0.00 -0.30 0.01 -1.54 -0.10 0.00 0.00 175.22 173.29 1imu s SER 49 N 0.46 4.71 0.12 1.36 1.04 0.99 -0.57 113.70 121.80 1imu s SER 49 Ca -0.14 -0.28 0.09 0.00 0.48 0.00 0.00 55.95 56.10 1imu s SER 49 Cb -0.16 -1.82 -0.04 0.00 0.10 0.00 0.00 66.02 64.10 1imu s SER 49 CO 0.05 -0.00 -0.20 -0.69 0.98 0.00 0.00 173.24 173.37 1imu s VAL 50 N 1.41 2.69 -0.16 5.02 1.01 0.16 -0.28 120.40 130.24 1imu s VAL 50 Ca 0.05 -1.55 -0.08 0.00 0.00 0.00 0.00 61.98 60.40 1imu s VAL 50 Cb -0.15 -2.22 0.06 0.00 0.00 0.00 0.00 36.38 34.08 1imu s VAL 50 CO 0.00 0.11 0.38 -0.70 0.00 0.00 0.00 175.10 174.89 1imu s GLU 51 N -2.08 0.33 0.05 2.72 2.12 0.85 0.41 118.70 123.10 1imu s GLU 51 Ca 0.17 0.80 0.04 0.00 0.36 0.00 0.00 54.97 56.34 1imu s GLU 51 Cb -0.10 0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.28 1imu s GLU 51 CO 0.09 -0.19 -0.06 0.00 -0.54 0.00 0.00 175.26 174.56 1imu s ALA 52 N 1.72 3.08 -0.25 6.30 0.00 0.84 0.13 121.76 133.57 1imu s ALA 52 Ca -0.07 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.77 1imu s ALA 52 Cb -0.10 -1.10 0.10 0.00 0.00 0.00 0.00 23.12 22.03 1imu s ALA 52 CO -0.12 0.64 0.20 -1.54 0.00 0.00 0.00 175.76 174.94 1imu s SER 53 N -1.82 2.28 0.36 0.00 1.04 -1.15 -0.03 113.70 114.39 1imu s SER 53 Ca 0.20 -0.78 0.08 0.00 0.48 0.00 0.00 55.95 55.93 1imu s SER 53 Cb -0.11 0.11 -0.07 0.00 0.10 0.00 0.00 66.02 66.05 1imu s SER 53 CO 0.12 -0.39 -0.04 -0.63 0.98 0.00 0.00 173.24 173.28 1imu s ILE 54 N 2.24 1.99 0.14 -1.02 1.01 0.30 -0.55 121.20 125.31 1imu s ILE 54 Ca 0.08 -2.10 0.11 0.00 0.00 0.00 0.00 60.65 58.73 1imu s ILE 54 Cb -0.15 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1imu s ILE 54 CO -0.26 -0.12 -0.25 -0.83 0.00 0.00 0.00 174.94 173.48 1imu s GLY 55 N -3.62 1.61 -0.10 6.18 0.00 -1.19 0.20 107.32 110.41 1imu s GLY 55 Ca 0.33 -1.47 -0.10 0.00 0.00 0.00 0.00 44.72 43.48 1imu s GLY 55 CO 0.16 -1.46 0.28 -0.51 0.00 0.00 0.00 173.10 171.58 1imu s THR 56 N -1.15 0.00 0.49 0.90 -4.23 -1.22 0.12 115.64 110.56 1imu s THR 56 Ca 0.15 -0.01 0.28 0.00 -1.18 0.00 0.00 61.69 60.93 1imu s THR 56 Cb -0.10 -0.40 0.28 0.00 1.34 0.00 0.00 72.50 73.62 1imu s THR 56 CO 0.07 -0.01 1.83 -0.65 -0.54 0.00 0.00 174.62 175.33 1imu h PRO 57 N 5.67 0.00 0.00 3.99 0.11 -1.99 0.41 132.00 140.19 1imu h PRO 57 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1imu h PRO 57 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1imu h PRO 57 CO 0.33 0.00 -1.48 1.28 -0.21 0.00 0.00 178.00 177.92 1imu n LEU 58 N -2.71 0.43 0.00 2.35 4.77 -1.26 -5.01 117.00 115.57 1imu n LEU 58 Ca -0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1imu n LEU 58 Cb 0.32 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1imu n LEU 58 CO 0.12 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1imu n GLY 59 N 1.24 3.61 3.67 -0.72 0.00 0.15 -5.01 105.19 108.13 1imu n GLY 59 Ca -0.02 -0.15 -0.46 0.00 0.00 0.00 0.00 46.02 45.39 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 3.16 -4.78 1.61 4.13 -1.25 -3.38 115.26 114.75 1imu n ASN 60 Ca 0.00 1.06 -0.39 0.00 1.68 0.00 0.00 54.58 56.93 1imu n ASN 60 Cb 0.00 -1.42 -0.06 0.00 -1.54 0.00 0.00 39.78 36.77 1imu n ASN 60 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1imu s LEU 61 N 1.55 4.49 0.01 3.41 1.43 0.54 -4.89 118.68 125.22 1imu s LEU 61 Ca 0.82 1.29 -0.15 0.00 -1.03 0.00 0.00 54.13 55.06 1imu s LEU 61 Cb -0.68 -2.99 0.02 0.00 0.03 0.00 0.00 46.19 42.58 1imu s LEU 61 CO 0.41 0.18 0.32 -0.76 0.23 0.00 0.00 176.35 176.73 1imu s LEU 62 N -0.71 0.83 0.16 1.79 1.43 -1.26 0.11 118.68 121.03 1imu s LEU 62 Ca 0.31 -0.00 -0.23 0.00 -1.03 0.00 0.00 54.13 53.18 1imu s LEU 62 Cb -0.20 1.32 0.07 0.00 0.03 0.00 0.00 46.19 47.41 1imu s LEU 62 CO 0.20 -0.51 0.66 0.00 0.23 0.00 0.00 176.35 176.93 1imu s ALA 63 N -1.76 -1.57 -0.29 4.21 0.00 0.95 -4.60 121.76 118.71 1imu s ALA 63 Ca -0.10 0.42 -0.20 0.00 0.00 0.00 0.00 51.96 52.08 1imu s ALA 63 Cb -0.04 0.82 0.13 0.00 0.00 0.00 0.00 23.12 24.04 1imu s ALA 63 CO 0.02 -0.81 0.97 -1.54 0.00 0.00 0.00 175.76 174.40 1imu s SER 64 N -2.75 -0.52 0.08 0.00 1.04 -1.26 -0.11 113.70 110.18 1imu s SER 64 Ca 0.03 0.90 -0.16 0.00 0.48 0.00 0.00 55.95 57.20 1imu s SER 64 Cb -0.02 1.09 0.03 0.00 0.10 0.00 0.00 66.02 67.22 1imu s SER 64 CO -0.09 -0.15 0.38 0.00 0.98 0.00 0.00 173.24 174.36 1imu s ALA 65 N 0.90 -0.89 -0.05 5.32 0.00 0.17 -4.93 121.76 122.27 1imu s ALA 65 Ca -0.04 0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.04 1imu s ALA 65 Cb -0.04 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1imu s ALA 65 CO -0.12 -0.52 -0.16 0.99 0.00 0.00 0.00 175.76 175.95 1imu s THR 66 N -3.06 1.38 -0.03 0.00 2.01 -1.26 0.36 115.64 115.04 1imu s THR 66 Ca -0.02 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.03 1imu s THR 66 Cb 0.01 -1.20 0.10 0.00 0.01 0.00 0.00 72.50 71.42 1imu s THR 66 CO -0.07 0.40 0.90 -0.44 -0.69 0.00 0.00 174.62 174.72 1imu s SER 67 N 0.26 -0.38 0.00 3.53 0.01 0.26 -4.92 113.70 112.47 1imu s SER 67 Ca -0.08 0.08 0.19 0.00 1.31 0.00 0.00 55.95 57.44 1imu s SER 67 Cb -0.13 0.38 1.13 0.00 0.21 0.00 0.00 66.02 67.61 1imu s SER 67 CO 0.03 -0.58 1.68 -0.67 0.41 0.00 0.00 173.24 174.11 1imu n ASP 68 N -0.08 0.00 -4.01 2.44 2.03 -1.26 0.18 116.55 115.85 1imu n ASP 68 Ca -0.09 -1.26 -0.32 0.00 0.52 0.00 0.00 54.79 53.64 1imu n ASP 68 Cb 0.61 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.87 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 -1.67 4.71 0.00 1.67 1.11 -1.26 -4.83 116.67 116.40 1imu s ASP 69 Ca 0.29 -2.46 0.00 0.00 0.18 0.00 0.00 52.55 50.56 1imu s ASP 69 Cb 0.13 -1.67 0.00 0.00 1.07 0.00 0.00 42.92 42.45 1imu s ASP 69 CO 0.22 -0.35 0.92 0.23 1.18 0.00 0.00 175.17 177.37 1imu n MET 70 N 3.88 0.00 0.30 8.23 2.81 -1.26 0.16 117.12 131.23 1imu n MET 70 Ca 0.04 0.92 0.17 0.00 -1.81 0.00 0.00 57.70 57.02 1imu n MET 70 Cb 0.39 -1.38 0.91 0.00 -0.71 0.00 0.00 33.22 32.42 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 -0.00 2.03 -1.99 -1.97 0.69 116.97 115.72 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 -0.85 0.04 -0.98 -0.22 -0.00 0.00 0.00 178.16 176.15 1imu h LYS 72 N 0.00 0.55 -0.35 4.88 1.63 -1.15 1.31 116.57 123.44 1imu h LYS 72 Ca -0.00 -0.59 -0.01 0.00 -0.85 0.00 0.00 60.65 59.20 1imu h LYS 72 Cb 0.21 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.99 1imu h LYS 72 CO 0.01 1.21 0.17 0.00 -3.45 0.00 0.00 179.45 177.38 1imu h ALA 73 N 0.59 0.45 -0.61 5.00 0.00 0.31 1.63 119.26 126.63 1imu h ALA 73 Ca -0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1imu h ALA 73 Cb 1.63 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1imu h ALA 73 CO 0.18 0.01 0.19 0.82 0.00 0.00 0.00 179.25 180.45 1imu h ILE 74 N 0.43 1.23 -0.94 0.00 5.03 -0.84 0.30 117.51 122.72 1imu h ILE 74 Ca 0.12 -0.79 0.05 0.00 -0.12 0.00 0.00 64.86 64.12 1imu h ILE 74 Cb 0.12 0.56 -0.06 0.00 -3.03 0.00 0.00 36.82 34.41 1imu h ILE 74 CO -0.02 0.30 0.61 -1.13 -0.68 0.00 0.00 178.15 177.24 1imu h ASN 75 N 0.89 0.99 0.24 1.72 -0.73 0.39 0.18 115.58 119.26 1imu h ASN 75 Ca 0.20 -0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.36 1imu h ASN 75 Cb 0.25 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.63 1imu h ASN 75 CO -0.01 0.66 -0.12 -0.08 -0.37 0.00 0.00 177.43 177.51 1imu h GLU 76 N 1.14 -0.31 -0.52 6.67 4.57 0.40 -2.75 114.58 123.78 1imu h GLU 76 Ca 0.39 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.69 1imu h GLU 76 Cb 0.09 0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 28.65 1imu h GLU 76 CO -0.13 0.04 -0.21 0.28 -1.18 0.00 0.00 179.01 177.81 1imu h VAL 77 N -0.92 0.35 -0.63 0.32 2.07 -0.20 0.77 116.25 118.01 1imu h VAL 77 Ca -0.03 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.62 1imu h VAL 77 Cb 0.50 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1imu h VAL 77 CO 0.05 0.00 0.43 -0.08 0.02 0.00 0.00 177.57 178.00 1imu h GLU 78 N -0.09 0.28 -0.26 1.57 4.22 -0.73 0.82 114.58 120.40 1imu h GLU 78 Ca 0.24 -0.02 -0.11 0.00 0.08 0.00 0.00 59.36 59.55 1imu h GLU 78 Cb 0.47 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1imu h GLU 78 CO -0.58 0.19 -0.27 1.49 -2.18 0.00 0.00 179.01 177.65 1imu h GLU 79 N 0.29 0.65 -0.15 1.92 4.22 0.74 0.34 114.58 122.58 1imu h GLU 79 Ca 0.30 -0.35 -0.04 0.00 0.08 0.00 0.00 59.36 59.35 1imu h GLU 79 Cb 0.79 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1imu h GLU 79 CO -0.07 0.95 -0.07 -0.22 -2.18 0.00 0.00 179.01 177.42 1imu h LYS 80 N 0.37 0.32 -0.55 1.92 1.63 0.16 0.43 116.57 120.85 1imu h LYS 80 Ca 0.04 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1imu h LYS 80 Cb 0.84 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.43 1imu h LYS 80 CO 0.07 0.63 0.35 -0.07 -3.45 0.00 0.00 179.45 176.98 1imu h LEU 81 N -0.01 0.65 0.41 5.20 -0.00 0.55 0.27 115.31 122.40 1imu h LEU 81 Ca 0.04 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1imu h LEU 81 Cb 0.53 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 1imu h LEU 81 CO 0.02 0.50 -0.20 -0.08 -0.00 0.00 0.00 178.44 178.68 1imu h GLU 82 N 0.74 -0.54 -0.70 1.13 4.22 -0.25 0.16 114.58 119.34 1imu h GLU 82 Ca 0.20 0.04 0.15 0.00 0.08 0.00 0.00 59.36 59.83 1imu h GLU 82 Cb -0.05 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 29.21 1imu h GLU 82 CO -0.04 -0.23 0.04 -0.09 -2.18 0.00 0.00 179.01 176.51 1imu h ARG 83 N -0.91 0.14 -0.40 1.92 2.43 -0.04 0.53 114.38 118.04 1imu h ARG 83 Ca -0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1imu h ARG 83 Cb 0.56 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1imu h ARG 83 CO 0.09 0.09 0.26 1.96 -1.51 0.00 0.00 179.97 180.87 1imu h GLN 84 N 0.14 0.53 -0.42 0.20 4.20 -0.39 0.11 115.11 119.49 1imu h GLN 84 Ca 0.38 -0.04 0.09 0.00 0.06 0.00 0.00 58.65 59.14 1imu h GLN 84 Cb 0.65 -0.12 -0.09 0.00 0.30 0.00 0.00 27.48 28.23 1imu h GLN 84 CO -0.59 0.36 -0.16 -0.07 -0.67 0.00 0.00 178.83 177.71 1imu h LEU 85 N 0.54 -0.55 -1.17 1.46 3.38 0.29 0.49 115.31 119.75 1imu h LEU 85 Ca 0.15 0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.32 1imu h LEU 85 Cb -0.05 0.32 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1imu h LEU 85 CO -0.03 -0.19 0.58 -1.13 0.09 0.00 0.00 178.44 177.75 1imu h ASN 86 N -0.07 0.89 -0.09 -0.43 -1.24 0.30 0.18 115.58 115.13 1imu h ASN 86 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.22 1imu h ASN 86 Cb 0.38 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.24 1imu h ASN 86 CO -0.47 0.58 0.06 0.50 -1.29 0.00 0.00 177.43 176.81 1imu h LYS 87 N 1.01 0.11 0.30 6.67 3.64 0.24 0.93 116.57 129.47 1imu h LYS 87 Ca 0.37 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1imu h LYS 87 Cb 0.17 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1imu h LYS 87 CO -0.13 0.07 -0.26 -0.07 -2.27 0.00 0.00 179.45 176.79 1imu h LEU 88 N 0.11 -0.68 -2.23 5.20 3.38 0.90 0.89 115.31 122.89 1imu h LEU 88 Ca 0.03 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1imu h LEU 88 Cb -0.01 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1imu h LEU 88 CO -0.01 -0.38 0.04 1.56 0.09 0.00 0.00 178.44 179.74 1imu h GLN 89 N -0.57 0.00 0.16 1.13 7.50 -0.46 -1.66 115.11 121.21 1imu h GLN 89 Ca -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.13 1imu h GLN 89 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.04 1imu h GLN 89 CO -0.03 0.00 -0.08 0.45 -1.50 0.00 0.00 178.83 177.67 1imu h HIS 90 N 0.00 -0.20 -1.00 2.96 3.86 0.24 -3.34 115.15 117.67 1imu h HIS 90 Ca 0.02 -0.00 0.22 0.00 -1.16 0.00 0.00 60.37 59.45 1imu h HIS 90 Cb 0.11 0.07 -0.11 0.00 1.06 0.00 0.00 27.41 28.53 1imu h HIS 90 CO 0.00 -0.12 0.61 1.57 0.86 0.00 0.00 177.93 180.85 1imu h LYS 91 N -1.00 0.63 -5.86 2.45 2.10 0.92 -3.33 116.57 112.47 1imu h LYS 91 Ca -0.02 -0.04 -0.40 0.00 -2.00 0.00 0.00 60.65 58.19 1imu h LYS 91 Cb 0.16 -0.14 -0.06 0.00 -0.90 0.00 0.00 32.23 31.29 1imu h LYS 91 CO 0.04 0.41 0.99 -1.12 -2.00 0.00 0.00 179.45 177.77 1imu s SER 92 N -5.34 5.54 -0.41 7.07 0.01 -0.64 -4.77 113.70 115.16 1imu s SER 92 Ca -0.11 -0.79 0.05 0.00 1.31 0.00 0.00 55.95 56.41 1imu s SER 92 Cb 0.26 -2.56 0.61 0.00 0.21 0.00 0.00 66.02 64.54 1imu s SER 92 CO 0.80 -2.36 1.79 -0.62 0.41 0.00 0.00 173.24 173.26 1imu n GLU 93 N 8.91 2.16 -0.94 12.44 1.02 -1.25 -4.37 120.64 138.61 1imu n GLU 93 Ca 0.36 -3.08 0.04 0.00 -0.02 0.00 0.00 57.16 54.45 1imu n GLU 93 Cb 0.48 -2.09 0.15 0.00 -0.02 0.00 0.00 31.44 29.97 1imu n GLU 93 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1imu n SER 94 N -1.13 1.75 -4.86 1.62 7.64 -1.26 -5.07 113.62 112.30 1imu n SER 94 Ca 0.53 -3.43 -0.31 0.00 1.01 0.00 0.00 58.87 56.67 1imu n SER 94 Cb 1.46 -0.47 0.03 0.00 -1.01 0.00 0.00 64.21 64.22 1imu n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1imu s ARG 95 N -2.54 3.29 0.00 1.43 1.70 -1.26 -4.91 118.95 116.66 1imu s ARG 95 Ca 0.38 0.75 0.00 0.00 -0.47 0.00 0.00 55.73 56.39 1imu s ARG 95 Cb 0.38 -2.05 0.00 0.00 -0.57 0.00 0.00 34.95 32.71 1imu s ARG 95 CO -0.09 -0.79 0.00 2.89 -1.08 0.00 0.00 175.30 176.23 1imu n ARG 96 N -2.90 0.00 -3.47 3.89 1.85 -1.26 -5.09 116.66 109.68 1imu n ARG 96 Ca 0.06 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.71 1imu n ARG 96 Cb 0.54 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.83 1imu n ARG 96 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1imu s ALA 97 N -1.74 -0.10 -0.12 2.89 0.00 -1.26 -4.98 121.76 116.44 1imu s ALA 97 Ca 0.00 -0.38 0.07 0.00 0.00 0.00 0.00 51.96 51.66 1imu s ALA 97 Cb 0.00 -1.55 -0.13 0.00 0.00 0.00 0.00 23.12 21.44 1imu s ALA 97 CO 0.00 -1.55 -0.02 -3.47 0.00 0.00 0.00 175.76 170.72 1imu n ASP 98 N 5.30 2.42 -1.47 0.00 -0.08 -1.26 -5.13 116.55 116.33 1imu n ASP 98 Ca -0.04 -0.03 0.11 0.00 -1.51 0.00 0.00 54.79 53.32 1imu n ASP 98 Cb 0.46 0.44 -0.06 0.00 2.34 0.00 0.00 41.12 44.30 1imu n ASP 98 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1imu n GLU 99 N -2.59 -3.58 -3.77 -0.67 0.00 -1.26 -5.03 120.64 103.74 1imu n GLU 99 Ca -0.21 2.87 -0.13 0.00 0.00 0.00 0.00 57.16 59.69 1imu n GLU 99 Cb 0.84 -3.88 -0.09 0.00 0.00 0.00 0.00 31.44 28.31 1imu n GLU 99 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 1imu s ARG 100 N -4.71 0.60 0.72 5.31 1.70 -1.26 -5.14 118.95 116.16 1imu s ARG 100 Ca 0.00 -0.12 -0.16 0.00 -0.47 0.00 0.00 55.73 54.98 1imu s ARG 100 Cb 0.00 0.27 0.03 0.00 -0.57 0.00 0.00 34.95 34.68 1imu s ARG 100 CO 0.00 -0.15 1.26 -0.11 -1.08 0.00 0.00 175.30 175.22 1imu n LEU 101 N 1.55 5.41 -2.66 -1.89 7.94 -1.26 -4.97 117.00 121.12 1imu n LEU 101 Ca -0.20 0.73 -0.04 0.00 -1.11 0.00 0.00 56.01 55.38 1imu n LEU 101 Cb 0.56 -1.54 0.12 0.00 0.53 0.00 0.00 43.42 43.09 1imu n LEU 101 CO 0.21 -1.28 0.57 0.29 -1.11 0.00 0.00 177.39 176.08 1imu n LYS 102 N -2.50 1.24 0.08 1.96 4.76 -1.26 -4.96 118.16 117.48 1imu n LYS 102 Ca 0.15 -1.45 -0.10 0.00 -2.87 0.00 0.00 58.31 54.04 1imu n LYS 102 Cb 0.49 0.20 -0.07 0.00 -1.84 0.00 0.00 35.03 33.82 1imu n LYS 102 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1imu h ASP 103 N 1.43 0.23 -3.53 4.39 1.82 -2.09 -3.45 116.42 115.22 1imu h ASP 103 Ca -0.37 -0.22 -0.67 0.00 -0.39 0.00 0.00 57.03 55.38 1imu h ASP 103 Cb 1.29 -0.07 -0.16 0.00 0.68 0.00 0.00 39.33 41.07 1imu h ASP 103 CO -0.13 1.09 -0.69 -0.44 -1.61 0.00 0.00 179.24 177.46 1imu s SER 104 N -6.93 4.77 -0.49 2.28 0.01 -1.26 -5.05 113.70 107.03 1imu s SER 104 Ca -0.02 -0.11 0.05 0.00 1.31 0.00 0.00 55.95 57.18 1imu s SER 104 Cb 0.09 -1.15 0.39 0.00 0.21 0.00 0.00 66.02 65.56 1imu s SER 104 CO 0.84 0.28 1.05 2.22 0.41 0.00 0.00 173.24 178.04 1imu n PHE 105 N 1.49 3.63 0.19 2.43 1.16 -1.26 -4.90 117.46 120.20 1imu n PHE 105 Ca -0.15 -3.45 -0.09 0.00 -1.87 0.00 0.00 57.45 51.89 1imu n PHE 105 Cb 0.53 -0.24 -0.04 0.00 -1.61 0.00 0.00 39.48 38.12 1imu n PHE 105 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 1imu h GLU 106 N 2.73 -0.51 0.00 3.97 4.81 -2.01 -3.56 114.58 120.02 1imu h GLU 106 Ca 0.23 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1imu h GLU 106 Cb 0.77 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1imu h GLU 106 CO 0.83 -0.34 0.00 -1.71 -0.73 0.00 0.00 179.01 177.06