#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 3.97 -0.47 3.17 -4.23 -1.26 -4.86 115.64 111.97 1imu s THR 2 Ca 0.00 1.27 -0.29 0.00 -1.18 0.00 0.00 61.69 61.49 1imu s THR 2 Cb 0.00 -3.82 0.03 0.00 1.34 0.00 0.00 72.50 70.05 1imu s THR 2 CO 0.00 -0.05 1.18 -0.22 -0.54 0.00 0.00 174.62 174.99 1imu s LEU 3 N 2.96 3.63 0.54 4.79 0.20 -1.26 -4.14 118.68 125.39 1imu s LEU 3 Ca 0.61 0.53 -0.06 0.00 0.69 0.00 0.00 54.13 55.90 1imu s LEU 3 Cb -0.27 -3.55 -0.02 0.00 -0.43 0.00 0.00 46.19 41.92 1imu s LEU 3 CO 0.22 -1.28 0.85 0.20 -0.29 0.00 0.00 176.35 176.06 1imu s ASN 4 N 2.68 5.97 0.05 3.68 -0.87 0.11 -4.85 114.94 121.71 1imu s ASN 4 Ca 0.50 0.87 -0.01 0.00 -1.57 0.00 0.00 52.86 52.66 1imu s ASN 4 Cb -0.08 -2.03 -0.04 0.00 -0.02 0.00 0.00 41.25 39.08 1imu s ASN 4 CO 0.32 -0.81 -0.03 -0.63 -2.57 0.00 0.00 177.10 173.37 1imu s ILE 5 N -2.88 0.23 -0.37 0.60 1.09 -1.26 -0.49 121.20 118.12 1imu s ILE 5 Ca 0.51 -1.67 0.04 0.00 -1.10 0.00 0.00 60.65 58.43 1imu s ILE 5 Cb -0.10 -1.33 0.19 0.00 -1.06 0.00 0.00 42.46 40.15 1imu s ILE 5 CO 0.46 -0.91 0.70 -0.89 -0.10 0.00 0.00 174.94 174.20 1imu s THR 6 N -3.50 -0.85 -0.18 2.92 2.01 -0.83 -4.88 115.64 110.32 1imu s THR 6 Ca 0.04 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.87 1imu s THR 6 Cb 0.05 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.30 1imu s THR 6 CO -0.08 0.00 0.43 -0.44 -0.69 0.00 0.00 174.62 173.83 1imu s SER 7 N 2.13 6.50 0.50 3.53 0.01 -1.26 -3.69 113.70 121.43 1imu s SER 7 Ca 0.15 0.60 0.15 0.00 1.31 0.00 0.00 55.95 58.16 1imu s SER 7 Cb -0.04 -2.25 1.21 0.00 0.21 0.00 0.00 66.02 65.15 1imu s SER 7 CO -0.13 -0.07 2.13 0.07 0.41 0.00 0.00 173.24 175.65 1imu h LYS 8 N 7.23 0.04 0.00 12.44 2.10 -1.95 -3.43 116.57 132.99 1imu h LYS 8 Ca -0.37 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1imu h LYS 8 Cb 1.16 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1imu h LYS 8 CO 0.73 0.04 0.00 0.00 -2.00 0.00 0.00 179.45 178.23 1imu n GLN 9 N -4.51 0.00 -1.41 0.07 10.64 -1.26 -5.01 117.38 115.89 1imu n GLN 9 Ca -0.03 0.00 -0.50 0.00 -1.83 0.00 0.00 57.00 54.64 1imu n GLN 9 Cb 0.11 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.39 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 0.66 -0.28 2.61 0.00 -1.26 -4.89 117.12 113.95 1imu n MET 10 Ca 0.00 0.15 -0.23 0.00 0.00 0.00 0.00 57.70 57.63 1imu n MET 10 Cb 0.00 -2.18 0.22 0.00 0.00 0.00 0.00 33.22 31.26 1imu n MET 10 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1imu n ASP 11 N 9.92 -3.60 -4.80 3.17 5.75 -1.26 -4.66 116.55 121.07 1imu n ASP 11 Ca 0.48 -0.65 -0.36 0.00 -0.01 0.00 0.00 54.79 54.25 1imu n ASP 11 Cb 0.16 -0.82 -0.07 0.00 -1.03 0.00 0.00 41.12 39.36 1imu n ASP 11 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1imu s ILE 12 N -1.96 5.44 0.25 2.12 -1.09 -1.26 -4.99 121.20 119.72 1imu s ILE 12 Ca 0.50 0.24 0.02 0.00 -2.23 0.00 0.00 60.65 59.17 1imu s ILE 12 Cb -0.09 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 1imu s ILE 12 CO 0.42 0.53 0.17 0.42 -1.23 0.00 0.00 174.94 175.24 1imu s THR 13 N -0.32 0.08 0.31 2.92 -4.23 -1.26 -4.95 115.64 108.18 1imu s THR 13 Ca 0.12 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.70 1imu s THR 13 Cb -0.12 -2.51 0.38 0.00 1.34 0.00 0.00 72.50 71.59 1imu s THR 13 CO 0.02 0.00 1.47 -2.65 -0.54 0.00 0.00 174.62 172.92 1imu n PRO 14 N -0.42 -0.07 0.00 3.99 -0.02 -1.26 -0.49 135.00 136.73 1imu n PRO 14 Ca 0.03 1.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.88 1imu n PRO 14 Cb 0.65 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 -2.95 0.00 -0.06 3.55 0.00 -1.26 -0.30 120.51 119.49 1imu n ALA 15 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.58 1imu n ALA 15 Cb 0.85 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 20.29 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 0.10 -0.59 0.00 -2.65 -1.91 0.83 117.51 113.30 1imu h ILE 16 Ca 0.00 0.00 0.05 0.00 1.03 0.00 0.00 64.86 65.94 1imu h ILE 16 Cb 0.00 0.10 -0.07 0.00 -2.05 0.00 0.00 36.82 34.80 1imu h ILE 16 CO 0.00 0.00 -0.35 0.54 0.03 0.00 0.00 178.15 178.37 1imu n ARG 17 N -5.42 -0.26 -0.33 0.16 5.12 0.35 0.23 116.66 116.51 1imu n ARG 17 Ca -0.03 1.22 0.00 0.00 -1.93 0.00 0.00 57.85 57.12 1imu n ARG 17 Cb 0.36 -1.81 0.14 0.00 -1.16 0.00 0.00 32.46 29.99 1imu n ARG 17 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1imu h GLU 18 N 0.00 1.06 0.00 5.56 4.22 0.11 0.31 114.58 125.83 1imu h GLU 18 Ca 0.09 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1imu h GLU 18 Cb 0.24 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1imu h GLU 18 CO -0.56 0.70 0.00 1.58 -2.18 0.00 0.00 179.01 178.56 1imu n HIS 19 N -4.55 0.00 -0.31 0.92 -0.00 0.28 0.13 115.22 111.69 1imu n HIS 19 Ca 0.13 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.31 1imu n HIS 19 Cb 0.14 -0.50 0.06 0.00 -0.12 0.00 0.00 29.99 29.57 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 -1.10 0.13 0.27 3.38 0.29 1.11 115.31 119.39 1imu h LEU 20 Ca 0.00 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1imu h LEU 20 Cb 0.00 0.62 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1imu h LEU 20 CO 0.00 -0.29 -0.11 -0.33 0.09 0.00 0.00 178.44 177.80 1imu h GLU 21 N -0.04 -0.24 -0.92 1.13 5.08 -0.40 -0.59 114.58 118.60 1imu h GLU 21 Ca 0.35 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.87 1imu h GLU 21 Cb 0.60 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.82 1imu h GLU 21 CO -0.88 -0.16 0.53 1.49 -1.00 0.00 0.00 179.01 179.00 1imu h GLU 22 N -0.25 0.75 -0.53 2.33 4.81 0.48 0.33 114.58 122.51 1imu h GLU 22 Ca -0.00 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1imu h GLU 22 Cb 0.23 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1imu h GLU 22 CO -0.02 0.50 0.33 0.00 -0.73 0.00 0.00 179.01 179.09 1imu h ARG 23 N 0.77 0.64 -0.07 1.92 2.47 0.19 0.81 114.38 121.11 1imu h ARG 23 Ca 0.49 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 59.17 1imu h ARG 23 Cb 0.64 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.81 1imu h ARG 23 CO -0.33 0.42 0.04 1.25 0.56 0.00 0.00 179.97 181.91 1imu h LEU 24 N 0.66 0.08 -1.33 3.04 5.85 0.76 0.26 115.31 124.64 1imu h LEU 24 Ca 0.21 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1imu h LEU 24 Cb -0.01 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1imu h LEU 24 CO -0.08 0.15 0.48 0.00 -0.34 0.00 0.00 178.44 178.65 1imu h ALA 25 N 0.94 1.60 -0.48 1.25 0.00 0.10 0.36 119.26 123.03 1imu h ALA 25 Ca 0.02 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1imu h ALA 25 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1imu h ALA 25 CO -0.00 0.32 -0.22 -0.22 0.00 0.00 0.00 179.25 179.12 1imu h LYS 26 N 0.86 1.00 0.00 0.00 1.63 0.13 -2.33 116.57 117.86 1imu h LYS 26 Ca 0.29 -0.43 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1imu h LYS 26 Cb 0.09 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1imu h LYS 26 CO -0.09 1.11 0.00 1.28 -3.45 0.00 0.00 179.45 178.30 1imu n LEU 27 N -4.11 0.00 0.08 5.20 4.77 0.87 -3.36 117.00 120.46 1imu n LEU 27 Ca 0.00 0.47 0.03 0.00 -0.03 0.00 0.00 56.01 56.48 1imu n LEU 27 Cb 0.46 -0.47 0.41 0.00 -2.33 0.00 0.00 43.42 41.50 1imu n LEU 27 CO 0.47 -0.04 0.99 1.23 -1.33 0.00 0.00 177.39 178.70 1imu h GLY 28 N 4.55 0.36 1.91 -0.72 0.00 0.24 -1.09 103.07 108.32 1imu h GLY 28 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1imu h GLY 28 CO 0.00 0.18 0.00 0.58 0.00 0.00 0.00 176.54 177.30 1imu n LYS 29 N -4.36 0.08 -2.56 4.80 2.85 -1.21 -4.61 118.16 113.14 1imu n LYS 29 Ca 0.00 0.06 -0.41 0.00 -1.05 0.00 0.00 58.31 56.91 1imu n LYS 29 Cb 0.19 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.04 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 -2.91 2.41 0.00 5.58 0.52 -0.41 -4.84 118.94 119.28 1imu s TRP 30 Ca 0.15 -0.42 0.00 0.00 0.02 0.00 0.00 56.10 55.85 1imu s TRP 30 Cb 0.17 -4.65 0.00 0.00 -1.15 0.00 0.00 33.47 27.84 1imu s TRP 30 CO 0.45 -2.00 0.25 0.00 0.02 0.00 0.00 176.95 175.67 1imu n GLN 31 N 9.10 0.00 -3.67 4.98 0.00 -1.26 -4.66 117.38 121.88 1imu n GLN 31 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 57.00 57.10 1imu n GLN 31 Cb 0.50 -0.28 -0.02 0.00 0.00 0.00 0.00 30.24 30.44 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 0.16 0.00 -0.41 -0.39 2.01 -1.26 -4.99 115.64 110.76 1imu s THR 32 Ca 0.00 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.57 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 0.00 0.17 0.00 -0.69 0.00 0.00 174.62 174.10 1imu s GLN 33 N -3.36 1.36 -0.69 4.92 0.00 -1.26 -5.00 119.66 115.63 1imu s GLN 33 Ca 0.09 -1.91 -0.25 0.00 -0.00 0.00 0.00 55.36 53.29 1imu s GLN 33 Cb -0.02 -2.68 -0.13 0.00 0.00 0.00 0.00 33.01 30.18 1imu s GLN 33 CO -0.02 -1.06 2.43 1.28 0.00 0.00 0.00 175.29 177.92 1imu n LEU 34 N 3.89 1.61 -4.55 2.60 7.99 -1.25 -4.42 117.00 122.87 1imu n LEU 34 Ca 0.04 -0.80 -0.35 0.00 -0.01 0.00 0.00 56.01 54.89 1imu n LEU 34 Cb 0.37 -1.46 -0.04 0.00 -0.11 0.00 0.00 43.42 42.18 1imu n LEU 34 CO 0.23 -1.87 1.46 -0.63 -1.51 0.00 0.00 177.39 175.07 1imu s ILE 35 N 11.89 3.46 -0.22 -0.08 1.01 0.38 -4.27 121.20 133.37 1imu s ILE 35 Ca 1.03 -0.06 -0.05 0.00 0.00 0.00 0.00 60.65 61.58 1imu s ILE 35 Cb -0.33 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.02 1imu s ILE 35 CO 0.24 -1.09 0.09 -0.24 0.00 0.00 0.00 174.94 173.95 1imu n SER 36 N 12.60 -5.10 -4.85 3.58 2.88 -1.26 -2.52 113.62 118.95 1imu n SER 36 Ca 0.27 1.29 -0.38 0.00 -1.33 0.00 0.00 58.87 58.72 1imu n SER 36 Cb 0.50 -4.74 -0.06 0.00 -0.75 0.00 0.00 64.21 59.16 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 -1.12 3.74 0.25 -1.46 0.04 -1.26 -3.57 135.00 131.62 1imu s PRO 37 Ca -0.11 0.18 0.01 0.00 0.04 0.00 0.00 61.00 61.13 1imu s PRO 37 Cb 0.01 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.28 1imu s PRO 37 CO 0.67 0.71 0.10 -1.01 0.04 0.00 0.00 177.00 177.51 1imu s HIS 38 N -1.00 1.50 -0.30 0.56 3.76 0.11 0.07 115.29 120.00 1imu s HIS 38 Ca 0.20 -1.21 0.02 0.00 -0.15 0.00 0.00 55.06 53.92 1imu s HIS 38 Cb -0.15 -0.86 0.16 0.00 1.11 0.00 0.00 32.58 32.84 1imu s HIS 38 CO 0.09 -0.38 0.40 -0.06 -0.85 0.00 0.00 174.74 173.95 1imu s PHE 39 N -3.79 -0.96 -0.60 1.40 0.40 0.36 -2.28 117.98 112.51 1imu s PHE 39 Ca 0.38 0.23 -0.22 0.00 -0.60 0.00 0.00 56.93 56.73 1imu s PHE 39 Cb 0.08 -0.18 0.07 0.00 0.51 0.00 0.00 43.02 43.49 1imu s PHE 39 CO 0.14 -0.99 0.86 0.08 0.70 0.00 0.00 175.22 176.01 1imu s VAL 40 N 2.47 4.50 0.00 -0.44 1.01 0.37 -1.97 120.40 126.35 1imu s VAL 40 Ca 0.10 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1imu s VAL 40 Cb -0.12 -4.56 -0.03 0.00 0.00 0.00 0.00 36.38 31.66 1imu s VAL 40 CO -0.29 -1.22 -0.04 -1.48 0.00 0.00 0.00 175.10 172.07 1imu s LEU 41 N 3.59 3.31 0.22 3.92 2.34 -1.24 0.11 118.68 130.93 1imu s LEU 41 Ca 0.21 -0.09 -0.13 0.00 0.06 0.00 0.00 54.13 54.18 1imu s LEU 41 Cb -0.17 -1.90 -0.00 0.00 -0.56 0.00 0.00 46.19 43.55 1imu s LEU 41 CO 0.12 0.28 0.45 0.20 -1.06 0.00 0.00 176.35 176.33 1imu s ASN 42 N -1.50 -0.09 0.30 1.48 0.01 0.37 -3.22 114.94 112.30 1imu s ASN 42 Ca 0.18 -0.84 0.05 0.00 -0.71 0.00 0.00 52.86 51.53 1imu s ASN 42 Cb -0.11 0.55 -0.06 0.00 0.41 0.00 0.00 41.25 42.04 1imu s ASN 42 CO 0.09 -1.07 0.02 -0.75 -1.51 0.00 0.00 177.10 173.87 1imu s LYS 43 N -3.98 1.59 0.08 -0.60 2.20 -1.26 -0.17 119.74 117.60 1imu s LYS 43 Ca 0.19 -1.85 -0.26 0.00 -0.36 0.00 0.00 55.97 53.69 1imu s LYS 43 Cb 0.00 -0.94 0.08 0.00 -1.51 0.00 0.00 37.83 35.47 1imu s LYS 43 CO 0.05 -0.11 0.70 0.14 -0.36 0.00 0.00 175.35 175.78 1imu s VAL 44 N -3.22 0.00 0.27 4.02 -7.23 0.39 -4.62 120.40 110.02 1imu s VAL 44 Ca 0.33 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.51 1imu s VAL 44 Cb 0.07 -1.00 0.26 0.00 0.56 0.00 0.00 36.38 36.27 1imu s VAL 44 CO 0.14 0.00 1.72 -0.65 -0.31 0.00 0.00 175.10 175.99 1imu h PRO 45 N 2.13 0.45 -0.02 4.82 0.11 -2.02 0.29 132.00 137.75 1imu h PRO 45 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1imu h PRO 45 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1imu h PRO 45 CO 0.36 0.30 0.00 0.09 -0.21 0.00 0.00 178.00 178.53 1imu n ASN 46 N -5.00 0.20 0.00 -2.05 5.03 -1.26 -4.98 115.26 107.20 1imu n ASN 46 Ca 0.19 -1.58 0.00 0.00 0.87 0.00 0.00 54.58 54.06 1imu n ASN 46 Cb 0.54 -0.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 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 0.77 0.45 3.19 7.41 0.00 0.10 -4.25 105.19 112.86 1imu n GLY 47 Ca 0.11 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.64 2.65 -0.26 1.61 0.40 0.55 0.15 117.98 119.44 1imu s PHE 48 Ca 0.00 -1.24 -0.10 0.00 -0.60 0.00 0.00 56.93 54.99 1imu s PHE 48 Cb 0.00 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 1imu s PHE 48 CO 0.00 -0.55 0.14 -1.54 0.70 0.00 0.00 175.22 173.97 1imu s SER 49 N 0.69 5.71 0.07 1.36 1.04 0.76 -0.81 113.70 122.53 1imu s SER 49 Ca -0.10 -0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.34 1imu s SER 49 Cb -0.16 -2.04 -0.03 0.00 0.10 0.00 0.00 66.02 63.89 1imu s SER 49 CO 0.01 -0.02 -0.17 0.54 0.98 0.00 0.00 173.24 174.58 1imu s VAL 50 N 1.57 1.36 -0.16 5.02 0.11 0.11 0.14 120.40 128.55 1imu s VAL 50 Ca 0.07 -1.29 -0.08 0.00 -2.93 0.00 0.00 61.98 57.75 1imu s VAL 50 Cb -0.15 -1.25 0.06 0.00 -1.53 0.00 0.00 36.38 33.51 1imu s VAL 50 CO 0.07 -0.06 0.38 -0.70 -3.33 0.00 0.00 175.10 171.46 1imu s GLU 51 N -1.57 0.34 0.15 1.54 2.12 0.30 0.74 118.70 122.33 1imu s GLU 51 Ca 0.03 0.78 0.06 0.00 0.36 0.00 0.00 54.97 56.21 1imu s GLU 51 Cb -0.09 0.01 -0.04 0.00 0.26 0.00 0.00 34.13 34.27 1imu s GLU 51 CO 0.03 -0.18 0.01 0.00 -0.54 0.00 0.00 175.26 174.58 1imu s ALA 52 N 1.62 3.26 -0.26 6.30 0.00 0.11 0.14 121.76 132.92 1imu s ALA 52 Ca -0.08 -1.29 -0.01 0.00 0.00 0.00 0.00 51.96 50.58 1imu s ALA 52 Cb -0.09 -1.08 0.13 0.00 0.00 0.00 0.00 23.12 22.08 1imu s ALA 52 CO -0.12 0.54 0.34 -1.12 0.00 0.00 0.00 175.76 175.40 1imu s SER 53 N -2.79 0.79 0.50 0.00 0.01 -0.97 0.01 113.70 111.26 1imu s SER 53 Ca 0.27 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.35 1imu s SER 53 Cb -0.10 0.85 -0.02 0.00 0.21 0.00 0.00 66.02 66.96 1imu s SER 53 CO 0.19 -0.34 0.00 -0.63 0.41 0.00 0.00 173.24 172.88 1imu s ILE 54 N 2.47 1.27 0.09 1.44 1.01 0.28 0.07 121.20 127.82 1imu s ILE 54 Ca 0.10 -2.00 0.05 0.00 0.00 0.00 0.00 60.65 58.81 1imu s ILE 54 Cb -0.14 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 1imu s ILE 54 CO -0.22 0.00 -0.14 -0.83 0.00 0.00 0.00 174.94 173.75 1imu s GLY 55 N -3.86 0.96 -0.10 6.18 0.00 -1.05 0.17 107.32 109.63 1imu s GLY 55 Ca 0.09 -1.14 -0.10 0.00 0.00 0.00 0.00 44.72 43.58 1imu s GLY 55 CO 0.05 -1.18 0.28 -0.51 0.00 0.00 0.00 173.10 171.74 1imu s THR 56 N -1.69 0.00 0.20 0.90 -4.23 -1.16 0.14 115.64 109.80 1imu s THR 56 Ca 0.03 -0.02 0.19 0.00 -1.18 0.00 0.00 61.69 60.71 1imu s THR 56 Cb -0.07 -0.40 0.19 0.00 1.34 0.00 0.00 72.50 73.55 1imu s THR 56 CO 0.02 -0.01 1.52 -0.65 -0.54 0.00 0.00 174.62 174.97 1imu h PRO 57 N 5.63 0.00 0.00 3.99 0.11 -1.99 0.34 132.00 140.09 1imu h PRO 57 Ca -0.26 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.68 1imu h PRO 57 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1imu h PRO 57 CO 0.33 0.00 -1.87 1.28 -0.21 0.00 0.00 178.00 177.53 1imu n LEU 58 N -2.33 0.33 0.00 2.35 4.77 -1.26 -5.02 117.00 115.84 1imu n LEU 58 Ca -0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1imu n LEU 58 Cb 0.32 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1imu n LEU 58 CO 0.08 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1imu n GLY 59 N 1.45 2.90 3.74 -0.72 0.00 0.12 -4.99 105.19 107.70 1imu n GLY 59 Ca -0.15 -0.06 -0.42 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 3.54 -4.82 1.61 4.13 -1.26 -3.00 115.26 115.46 1imu n ASN 60 Ca 0.00 1.19 -0.37 0.00 1.68 0.00 0.00 54.58 57.09 1imu n ASN 60 Cb 0.00 -1.57 -0.06 0.00 -1.54 0.00 0.00 39.78 36.60 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 -1.22 4.36 -0.06 3.41 1.43 0.45 -4.88 118.68 122.17 1imu s LEU 61 Ca 0.58 0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 54.07 1imu s LEU 61 Cb -0.51 -2.25 0.03 0.00 0.03 0.00 0.00 46.19 43.50 1imu s LEU 61 CO 0.58 0.30 0.38 -0.76 0.23 0.00 0.00 176.35 177.09 1imu s LEU 62 N -0.58 0.54 0.16 1.79 1.43 -1.26 1.00 118.68 121.76 1imu s LEU 62 Ca 0.16 0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 53.47 1imu s LEU 62 Cb -0.13 1.46 0.04 0.00 0.03 0.00 0.00 46.19 47.59 1imu s LEU 62 CO 0.05 -0.37 0.49 0.00 0.23 0.00 0.00 176.35 176.76 1imu s ALA 63 N -0.83 -1.10 -0.28 4.21 0.00 0.10 -4.64 121.76 119.22 1imu s ALA 63 Ca -0.09 0.02 -0.18 0.00 0.00 0.00 0.00 51.96 51.71 1imu s ALA 63 Cb -0.04 0.80 0.11 0.00 0.00 0.00 0.00 23.12 23.99 1imu s ALA 63 CO 0.04 -0.73 0.87 -1.54 0.00 0.00 0.00 175.76 174.39 1imu s SER 64 N -2.82 -0.67 -0.06 0.00 1.04 -1.26 0.04 113.70 109.98 1imu s SER 64 Ca 0.05 1.12 -0.11 0.00 0.48 0.00 0.00 55.95 57.48 1imu s SER 64 Cb 0.00 1.24 0.02 0.00 0.10 0.00 0.00 66.02 67.38 1imu s SER 64 CO -0.09 -0.18 0.27 0.00 0.98 0.00 0.00 173.24 174.22 1imu s ALA 65 N 1.18 -0.67 -0.14 5.32 0.00 0.23 -4.92 121.76 122.76 1imu s ALA 65 Ca -0.07 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.39 1imu s ALA 65 Cb -0.04 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1imu s ALA 65 CO -0.14 -0.19 -0.17 0.99 0.00 0.00 0.00 175.76 176.25 1imu s THR 66 N -0.62 1.73 0.11 0.00 2.01 -1.26 0.07 115.64 117.68 1imu s THR 66 Ca -0.07 -0.75 -0.25 0.00 0.31 0.00 0.00 61.69 60.93 1imu s THR 66 Cb -0.04 -1.57 0.08 0.00 0.01 0.00 0.00 72.50 70.97 1imu s THR 66 CO 0.02 0.49 0.69 -0.44 -0.69 0.00 0.00 174.62 174.68 1imu s SER 67 N 1.17 -0.51 0.00 3.53 0.01 0.01 -4.89 113.70 113.03 1imu s SER 67 Ca -0.01 0.00 0.24 0.00 1.31 0.00 0.00 55.95 57.49 1imu s SER 67 Cb -0.14 0.53 1.40 0.00 0.21 0.00 0.00 66.02 68.03 1imu s SER 67 CO -0.07 -0.86 1.80 -0.67 0.41 0.00 0.00 173.24 173.85 1imu n ASP 68 N -0.33 0.00 -4.06 2.44 -0.08 -1.26 0.21 116.55 113.47 1imu n ASP 68 Ca -0.14 -0.88 -0.34 0.00 -1.51 0.00 0.00 54.79 51.91 1imu n ASP 68 Cb 0.64 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.99 1imu n ASP 68 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1imu s ASP 69 N -1.93 4.97 0.00 1.67 1.01 -1.26 -4.80 116.67 116.33 1imu s ASP 69 Ca 0.35 -2.72 0.00 0.00 0.71 0.00 0.00 52.55 50.90 1imu s ASP 69 Cb 0.16 -1.78 0.00 0.00 1.01 0.00 0.00 42.92 42.31 1imu s ASP 69 CO 0.27 -0.36 0.85 0.80 0.21 0.00 0.00 175.17 176.94 1imu n MET 70 N 3.62 0.00 0.29 8.23 0.00 -1.26 0.15 117.12 128.14 1imu n MET 70 Ca 0.05 0.85 0.19 0.00 -0.00 0.00 0.00 57.70 58.80 1imu n MET 70 Cb 0.37 -1.31 1.00 0.00 0.00 0.00 0.00 33.22 33.28 1imu n MET 70 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 175.97 177.85 1imu h TYR 71 N 0.00 0.00 0.19 1.12 -1.99 -1.97 0.13 116.97 114.46 1imu h TYR 71 Ca 0.00 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.42 1imu h TYR 71 Cb 0.00 0.00 0.03 0.00 2.00 0.00 0.00 36.73 38.76 1imu h TYR 71 CO -0.72 0.00 -1.37 -0.22 -0.00 0.00 0.00 178.16 175.85 1imu h LYS 72 N 0.00 0.48 -0.41 4.88 1.63 -0.96 1.02 116.57 123.21 1imu h LYS 72 Ca 0.00 -0.78 -0.01 0.00 -0.85 0.00 0.00 60.65 59.01 1imu h LYS 72 Cb 0.09 0.28 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 1imu h LYS 72 CO 0.00 1.37 0.23 0.00 -3.45 0.00 0.00 179.45 177.60 1imu h ALA 73 N 0.31 0.53 -0.48 5.00 0.00 0.37 1.47 119.26 126.45 1imu h ALA 73 Ca -0.21 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1imu h ALA 73 Cb 2.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 1imu h ALA 73 CO 0.25 0.05 -0.01 0.82 0.00 0.00 0.00 179.25 180.35 1imu h ILE 74 N 0.54 1.25 -0.90 0.00 5.03 -0.85 0.27 117.51 122.84 1imu h ILE 74 Ca 0.15 -1.03 0.07 0.00 -0.12 0.00 0.00 64.86 63.92 1imu h ILE 74 Cb 0.05 0.89 -0.06 0.00 -3.03 0.00 0.00 36.82 34.67 1imu h ILE 74 CO -0.02 0.36 0.59 -1.13 -0.68 0.00 0.00 178.15 177.27 1imu h ASN 75 N 0.75 0.89 0.18 1.72 -0.73 0.34 0.16 115.58 118.88 1imu h ASN 75 Ca 0.14 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 1imu h ASN 75 Cb 0.47 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.89 1imu h ASN 75 CO 0.02 0.56 -0.09 -0.08 -0.37 0.00 0.00 177.43 177.47 1imu h GLU 76 N 1.00 -0.24 -0.54 6.67 4.22 0.34 -2.95 114.58 123.08 1imu h GLU 76 Ca 0.40 0.02 0.11 0.00 0.08 0.00 0.00 59.36 59.96 1imu h GLU 76 Cb 0.24 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.44 1imu h GLU 76 CO -0.15 0.16 -0.25 0.28 -2.18 0.00 0.00 179.01 176.87 1imu h VAL 77 N -0.90 0.28 -0.73 0.32 2.07 -0.15 0.79 116.25 117.93 1imu h VAL 77 Ca -0.03 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.65 1imu h VAL 77 Cb 0.50 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1imu h VAL 77 CO 0.04 0.00 0.50 -0.08 0.02 0.00 0.00 177.57 178.05 1imu h GLU 78 N -0.12 0.32 -0.17 1.57 4.22 -0.79 0.81 114.58 120.42 1imu h GLU 78 Ca 0.24 -0.02 -0.09 0.00 0.08 0.00 0.00 59.36 59.57 1imu h GLU 78 Cb 0.50 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1imu h GLU 78 CO -0.62 0.21 -0.25 1.49 -2.18 0.00 0.00 179.01 177.67 1imu h GLU 79 N 0.33 0.48 -0.13 1.92 4.22 0.63 0.32 114.58 122.35 1imu h GLU 79 Ca 0.36 -0.28 -0.02 0.00 0.08 0.00 0.00 59.36 59.50 1imu h GLU 79 Cb 0.93 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 1imu h GLU 79 CO -0.10 0.87 -0.00 -0.22 -2.18 0.00 0.00 179.01 177.38 1imu h LYS 80 N 0.12 0.22 -0.51 1.92 3.64 0.15 0.52 116.57 122.63 1imu h LYS 80 Ca 0.02 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1imu h LYS 80 Cb 0.82 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 1imu h LYS 80 CO 0.06 0.47 0.30 1.25 -2.27 0.00 0.00 179.45 179.25 1imu h LEU 81 N -0.05 0.62 0.36 5.20 7.12 0.51 0.23 115.31 129.30 1imu h LEU 81 Ca 0.04 -0.06 -0.02 0.00 0.13 0.00 0.00 57.88 57.96 1imu h LEU 81 Cb 0.37 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.34 1imu h LEU 81 CO 0.01 0.50 -0.17 -0.08 -0.13 0.00 0.00 178.44 178.56 1imu h GLU 82 N 0.68 -0.47 -0.79 1.25 4.22 -0.26 0.17 114.58 119.39 1imu h GLU 82 Ca 0.18 0.03 0.18 0.00 0.08 0.00 0.00 59.36 59.83 1imu h GLU 82 Cb 0.00 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.24 1imu h GLU 82 CO -0.03 -0.17 0.24 -0.09 -2.18 0.00 0.00 179.01 176.78 1imu h ARG 83 N -0.77 0.30 -0.76 1.92 2.43 0.16 0.78 114.38 118.44 1imu h ARG 83 Ca -0.05 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1imu h ARG 83 Cb 0.51 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1imu h ARG 83 CO 0.08 0.20 0.32 1.96 -1.51 0.00 0.00 179.97 181.02 1imu h GLN 84 N 0.31 1.12 -0.08 0.20 4.20 -0.37 0.17 115.11 120.66 1imu h GLN 84 Ca 0.46 -0.19 0.03 0.00 0.06 0.00 0.00 58.65 59.01 1imu h GLN 84 Cb 0.81 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 1imu h GLN 84 CO -0.52 0.91 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.34 1imu h LEU 85 N 1.09 -0.41 -1.12 1.46 3.38 0.34 0.33 115.31 120.38 1imu h LEU 85 Ca 0.26 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.33 1imu h LEU 85 Cb 0.19 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1imu h LEU 85 CO -0.02 -0.18 0.60 -1.13 0.09 0.00 0.00 178.44 177.79 1imu h ASN 86 N -0.19 0.98 0.25 -0.43 -0.73 -0.06 0.29 115.58 115.70 1imu h ASN 86 Ca 0.07 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.22 1imu h ASN 86 Cb 0.29 -0.23 -0.00 0.00 0.27 0.00 0.00 38.32 38.65 1imu h ASN 86 CO -0.19 0.68 -0.13 0.50 -0.37 0.00 0.00 177.43 177.92 1imu h LYS 87 N 1.14 -0.35 -0.39 6.67 3.64 0.84 1.13 116.57 129.26 1imu h LYS 87 Ca 0.36 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.83 1imu h LYS 87 Cb 0.01 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 1imu h LYS 87 CO -0.11 -0.23 0.02 -0.07 -2.27 0.00 0.00 179.45 176.79 1imu h LEU 88 N -0.36 -0.12 -1.58 5.20 4.07 0.24 0.88 115.31 123.64 1imu h LEU 88 Ca -0.03 0.08 -0.05 0.00 0.08 0.00 0.00 57.88 57.97 1imu h LEU 88 Cb 0.29 0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 1imu h LEU 88 CO 0.04 -0.03 -0.22 1.56 -1.08 0.00 0.00 178.44 178.71 1imu h GLN 89 N 0.12 0.00 0.15 1.13 4.20 -0.56 -2.81 115.11 117.34 1imu h GLN 89 Ca 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1imu h GLN 89 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1imu h GLN 89 CO -0.30 0.22 -0.07 0.45 -0.67 0.00 0.00 178.83 178.46 1imu h HIS 90 N 0.00 -0.19 0.00 2.96 3.86 0.43 -3.38 115.15 118.83 1imu h HIS 90 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1imu h HIS 90 Cb 0.42 0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1imu h HIS 90 CO 0.00 0.26 0.00 1.63 0.86 0.00 0.00 177.93 180.68 1imu n LYS 91 N -4.91 0.00 -1.32 2.45 4.76 0.27 -4.96 118.16 114.45 1imu n LYS 91 Ca -0.08 0.31 0.18 0.00 -2.87 0.00 0.00 58.31 55.85 1imu n LYS 91 Cb 0.27 -1.10 -0.05 0.00 -1.84 0.00 0.00 35.03 32.31 1imu n LYS 91 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1imu n SER 92 N -1.06 -7.83 0.02 4.39 2.88 -1.07 -5.03 113.62 105.92 1imu n SER 92 Ca 0.00 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1imu n SER 92 Cb 0.00 -4.08 0.00 0.00 -0.75 0.00 0.00 64.21 59.38 1imu n SER 92 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1imu n GLU 93 N -3.93 0.00 -3.64 -1.46 2.13 -1.26 -5.14 120.64 107.34 1imu n GLU 93 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 1imu n GLU 93 Cb 0.65 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.30 1imu n GLU 93 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1imu s SER 94 N -1.39 -0.32 0.04 4.31 1.04 -1.26 -5.08 113.70 111.04 1imu s SER 94 Ca 0.00 0.58 -0.27 0.00 0.48 0.00 0.00 55.95 56.74 1imu s SER 94 Cb 0.00 0.73 -0.15 0.00 0.10 0.00 0.00 66.02 66.70 1imu s SER 94 CO 0.00 -0.10 1.38 0.03 0.98 0.00 0.00 173.24 175.54 1imu h ARG 95 N 4.32 -0.95 -3.44 4.02 3.08 -2.04 -3.49 114.38 115.88 1imu h ARG 95 Ca -0.28 0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1imu h ARG 95 Cb 1.18 0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.45 1imu h ARG 95 CO 0.15 -0.63 -0.88 -2.13 -1.07 0.00 0.00 179.97 175.41 1imu n ARG 96 N -4.69 -3.90 0.00 0.04 3.00 -1.26 -4.99 116.66 104.86 1imu n ARG 96 Ca -0.12 3.00 0.00 0.00 -0.00 0.00 0.00 57.85 60.73 1imu n ARG 96 Cb 0.39 -3.66 0.00 0.00 0.00 0.00 0.00 32.46 29.19 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 -2.14 1.91 0.04 5.13 0.00 -1.26 -4.90 120.51 119.28 1imu n ALA 97 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1imu n ALA 97 Cb 0.34 0.30 -0.01 0.00 0.00 0.00 0.00 19.45 20.08 1imu n ALA 97 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1imu h ASP 98 N 0.00 -0.11 0.00 0.00 2.03 -2.04 -3.50 116.42 112.80 1imu h ASP 98 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1imu h ASP 98 Cb 0.73 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.26 1imu h ASP 98 CO 0.00 0.02 0.00 1.21 -1.03 0.00 0.00 179.24 179.44 1imu n GLU 99 N -2.87 -0.28 -0.82 4.15 2.13 -1.26 -5.03 120.64 116.66 1imu n GLU 99 Ca -0.02 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.77 1imu n GLU 99 Cb 0.05 0.00 0.19 0.00 0.27 0.00 0.00 31.44 31.96 1imu n GLU 99 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1imu n ARG 100 N -0.13 1.84 -2.08 5.31 1.85 -1.26 -5.04 116.66 117.15 1imu n ARG 100 Ca 0.00 -3.25 0.00 0.00 -1.00 0.00 0.00 57.85 53.60 1imu n ARG 100 Cb 0.00 -1.80 0.00 0.00 -1.05 0.00 0.00 32.46 29.61 1imu n ARG 100 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1imu n LEU 101 N -1.11 -6.01 -3.66 2.89 -0.00 -1.26 -5.07 117.00 102.77 1imu n LEU 101 Ca 0.32 2.91 -0.08 0.00 -0.00 0.00 0.00 56.01 59.15 1imu n LEU 101 Cb 0.97 -3.04 -0.09 0.00 -0.00 0.00 0.00 43.42 41.26 1imu n LEU 101 CO 0.16 -2.06 0.20 -0.54 -0.00 0.00 0.00 177.39 175.15 1imu s LYS 102 N -0.77 0.54 -0.20 1.96 1.02 -1.26 -5.04 119.74 115.99 1imu s LYS 102 Ca 0.00 1.05 0.12 0.00 0.02 0.00 0.00 55.97 57.16 1imu s LYS 102 Cb 0.00 0.14 0.43 0.00 -0.52 0.00 0.00 37.83 37.88 1imu s LYS 102 CO 0.00 -0.17 1.21 -0.25 -0.92 0.00 0.00 175.35 175.23 1imu n ASP 103 N 4.47 1.95 -1.45 2.83 8.00 -1.26 -5.10 116.55 125.99 1imu n ASP 103 Ca -0.20 -3.73 0.05 0.00 0.71 0.00 0.00 54.79 51.62 1imu n ASP 103 Cb 0.56 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 1imu n ASP 103 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1imu n SER 104 N -0.95 -7.85 -3.64 -2.24 2.88 -1.26 -5.05 113.62 95.51 1imu n SER 104 Ca 0.20 1.66 -0.08 0.00 -1.33 0.00 0.00 58.87 59.32 1imu n SER 104 Cb 0.75 -4.76 -0.07 0.00 -0.75 0.00 0.00 64.21 59.39 1imu n SER 104 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1imu s PHE 105 N -5.01 -0.77 0.07 0.66 -0.71 -1.26 -5.04 117.98 105.91 1imu s PHE 105 Ca 0.00 1.67 0.05 0.00 -1.04 0.00 0.00 56.93 57.61 1imu s PHE 105 Cb 0.00 0.42 -0.23 0.00 -1.21 0.00 0.00 43.02 42.00 1imu s PHE 105 CO 0.00 -0.38 1.09 0.93 -1.34 0.00 0.00 175.22 175.53 1imu h GLU 106 N 5.66 0.08 0.00 1.99 3.07 -2.09 -3.57 114.58 119.72 1imu h GLU 106 Ca -0.29 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 1imu h GLU 106 Cb 1.19 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1imu h GLU 106 CO 0.13 0.96 0.00 -1.71 -1.40 0.00 0.00 179.01 176.99