#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 0.00-12.16 -2.99 2.03 -2.24 -1.26 -4.87 114.28 92.78 1imu n THR 2 Ca 0.00 3.08 -0.40 0.00 -2.27 0.00 0.00 64.05 64.46 1imu n THR 2 Cb 0.00 -5.12 -0.04 0.00 -2.10 0.00 0.00 70.33 63.07 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 -0.53 4.33 0.15 3.22 0.20 -1.26 -4.62 118.68 120.16 1imu s LEU 3 Ca 0.00 1.27 0.03 0.00 0.69 0.00 0.00 54.13 56.13 1imu s LEU 3 Cb 0.00 -3.17 -0.04 0.00 -0.43 0.00 0.00 46.19 42.56 1imu s LEU 3 CO 0.00 -0.14 0.22 0.20 -0.29 0.00 0.00 176.35 176.34 1imu s ASN 4 N 0.81 6.01 0.21 3.68 0.01 0.96 -4.86 114.94 121.76 1imu s ASN 4 Ca 0.40 0.06 0.04 0.00 -0.71 0.00 0.00 52.86 52.65 1imu s ASN 4 Cb -0.18 -1.72 -0.05 0.00 0.41 0.00 0.00 41.25 39.71 1imu s ASN 4 CO 0.20 0.07 -0.05 -0.63 -1.51 0.00 0.00 177.10 175.18 1imu s ILE 5 N -1.73 1.18 0.15 0.60 1.09 -1.26 -0.52 121.20 120.71 1imu s ILE 5 Ca 0.33 -2.06 0.00 0.00 -1.10 0.00 0.00 60.65 57.82 1imu s ILE 5 Cb -0.11 -2.18 0.00 0.00 -1.06 0.00 0.00 42.46 39.11 1imu s ILE 5 CO 0.26 -0.47 0.00 0.41 -0.10 0.00 0.00 174.94 175.04 1imu n THR 6 N -0.36 0.01 -2.47 2.92 -1.04 -1.04 -4.86 114.28 107.43 1imu n THR 6 Ca -0.07 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.92 1imu n THR 6 Cb 0.63 -0.26 -0.02 0.00 -1.82 0.00 0.00 70.33 68.85 1imu n THR 6 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1imu n SER 7 N -2.99 -5.04 -0.21 8.00 3.41 -1.25 -4.80 113.62 110.73 1imu n SER 7 Ca 0.00 1.52 0.01 0.00 -0.26 0.00 0.00 58.87 60.13 1imu n SER 7 Cb 0.00 -4.51 0.25 0.00 -0.26 0.00 0.00 64.21 59.69 1imu n SER 7 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1imu h LYS 8 N 4.29 0.98 0.00 4.33 2.10 -1.94 -3.43 116.57 122.91 1imu h LYS 8 Ca -0.21 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1imu h LYS 8 Cb 0.47 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1imu h LYS 8 CO 0.00 0.65 0.00 0.00 -2.00 0.00 0.00 179.45 178.10 1imu n GLN 9 N -4.42 0.00 -1.35 0.07 10.64 -1.26 -4.96 117.38 116.09 1imu n GLN 9 Ca 0.08 0.00 -0.55 0.00 -1.83 0.00 0.00 57.00 54.70 1imu n GLN 9 Cb 0.03 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.31 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 0.46 -0.15 2.61 0.00 -1.26 -4.89 117.12 113.89 1imu n MET 10 Ca 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 57.70 57.66 1imu n MET 10 Cb 0.00 -1.93 0.15 0.00 0.00 0.00 0.00 33.22 31.44 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 8.80 -3.07 -4.91 3.17 8.00 -1.26 -4.76 116.55 122.52 1imu n ASP 11 Ca 0.50 -0.45 -0.31 0.00 0.71 0.00 0.00 54.79 55.24 1imu n ASP 11 Cb 0.09 -0.54 -0.04 0.00 -0.02 0.00 0.00 41.12 40.61 1imu n ASP 11 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1imu s ILE 12 N -1.57 5.24 0.29 0.53 -0.00 -1.26 -5.03 121.20 119.40 1imu s ILE 12 Ca 0.35 -0.15 -0.06 0.00 -0.00 0.00 0.00 60.65 60.79 1imu s ILE 12 Cb -0.06 -3.64 -0.01 0.00 -0.00 0.00 0.00 42.46 38.76 1imu s ILE 12 CO 0.29 0.05 0.42 0.42 -0.00 0.00 0.00 174.94 176.12 1imu s THR 13 N -1.63 0.00 0.19 8.37 -4.23 -1.26 -4.99 115.64 112.09 1imu s THR 13 Ca 0.39 -1.59 -0.25 0.00 -1.18 0.00 0.00 61.69 59.06 1imu s THR 13 Cb -0.12 -2.47 0.07 0.00 1.34 0.00 0.00 72.50 71.31 1imu s THR 13 CO 0.26 0.00 1.55 -0.65 -0.54 0.00 0.00 174.62 175.24 1imu h PRO 14 N 2.23 -0.05 0.00 3.99 0.11 -1.99 0.50 132.00 136.79 1imu h PRO 14 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1imu h PRO 14 Cb 1.24 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1imu h PRO 14 CO 0.40 -0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.15 1imu n ALA 15 N -3.31 0.00 -0.25 -0.75 0.00 -1.26 0.52 120.51 115.45 1imu n ALA 15 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 1imu n ALA 15 Cb 0.33 0.11 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 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 0.00 -0.93 0.00 -2.65 -1.96 1.05 117.51 113.02 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 0.00 -0.13 0.00 -2.05 0.00 0.00 36.82 34.64 1imu h ILE 16 CO 0.00 0.00 -0.46 -1.14 0.03 0.00 0.00 178.15 176.58 1imu n ARG 17 N -4.99 -0.32 -0.29 0.16 0.63 0.16 0.18 116.66 112.19 1imu n ARG 17 Ca -0.00 1.42 -0.06 0.00 -0.92 0.00 0.00 57.85 58.29 1imu n ARG 17 Cb 0.26 -2.10 0.06 0.00 0.45 0.00 0.00 32.46 31.13 1imu n ARG 17 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1imu h GLU 18 N 0.00 1.20 0.19 -0.14 4.57 0.20 0.12 114.58 120.71 1imu h GLU 18 Ca 0.23 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1imu h GLU 18 Cb 0.47 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1imu h GLU 18 CO -0.90 0.97 -0.09 1.25 -1.18 0.00 0.00 179.01 179.06 1imu h HIS 19 N 1.17 -0.23 -0.63 0.92 2.76 0.87 0.80 115.15 120.80 1imu h HIS 19 Ca 0.26 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.54 1imu h HIS 19 Cb 0.23 0.08 -0.12 0.00 1.55 0.00 0.00 27.41 29.15 1imu h HIS 19 CO 0.02 -0.14 -0.30 -0.07 -1.30 0.00 0.00 177.93 176.13 1imu h LEU 20 N -0.27 -1.07 0.06 0.26 3.38 0.19 0.96 115.31 118.83 1imu h LEU 20 Ca -0.03 0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1imu h LEU 20 Cb 0.19 0.55 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1imu h LEU 20 CO 0.04 -0.29 -0.17 -0.33 0.09 0.00 0.00 178.44 177.78 1imu h GLU 21 N -0.12 -0.30 -0.89 1.13 5.08 -0.76 0.64 114.58 119.34 1imu h GLU 21 Ca 0.26 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.76 1imu h GLU 21 Cb 0.55 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.78 1imu h GLU 21 CO -0.70 -0.20 0.52 1.49 -1.00 0.00 0.00 179.01 179.12 1imu h GLU 22 N -0.32 0.79 -0.51 2.33 4.81 0.26 0.31 114.58 122.25 1imu h GLU 22 Ca 0.04 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1imu h GLU 22 Cb 0.35 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1imu h GLU 22 CO -0.12 0.52 0.34 0.00 -0.73 0.00 0.00 179.01 179.02 1imu h ARG 23 N 0.81 0.67 0.26 1.92 2.47 0.18 0.36 114.38 121.06 1imu h ARG 23 Ca 0.45 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 59.12 1imu h ARG 23 Cb 0.50 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1imu h ARG 23 CO -0.29 0.44 -0.13 1.25 0.56 0.00 0.00 179.97 181.81 1imu h LEU 24 N 0.69 -0.30 -1.73 3.04 5.85 0.97 0.32 115.31 124.14 1imu h LEU 24 Ca 0.19 -0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.94 1imu h LEU 24 Cb -0.07 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1imu h LEU 24 CO -0.05 -0.08 0.41 0.00 -0.34 0.00 0.00 178.44 178.39 1imu h ALA 25 N 0.19 2.18 -0.03 1.25 0.00 -0.23 0.32 119.26 122.94 1imu h ALA 25 Ca -0.04 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 1imu h ALA 25 Cb 0.38 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1imu h ALA 25 CO 0.06 -0.33 -0.93 -0.22 0.00 0.00 0.00 179.25 177.83 1imu h LYS 26 N 0.28 0.57 0.00 0.00 3.11 0.21 -3.03 116.57 117.71 1imu h LYS 26 Ca 0.29 -0.57 0.00 0.00 -2.81 0.00 0.00 60.65 57.55 1imu h LYS 26 Cb 0.74 0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.12 1imu h LYS 26 CO -0.07 1.19 0.00 1.28 -2.81 0.00 0.00 179.45 179.05 1imu n LEU 27 N -3.82 0.26 -0.16 5.20 4.77 0.11 -3.36 117.00 120.00 1imu n LEU 27 Ca -0.08 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1imu n LEU 27 Cb 0.82 -0.47 0.26 0.00 -2.33 0.00 0.00 43.42 41.70 1imu n LEU 27 CO 0.53 -0.16 1.16 1.23 -1.33 0.00 0.00 177.39 178.82 1imu h GLY 28 N 4.02 0.94 1.59 -0.72 0.00 -0.37 -1.46 103.07 107.07 1imu h GLY 28 Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 47.33 46.98 1imu h GLY 28 CO 0.00 0.38 0.16 1.70 0.00 0.00 0.00 176.54 178.78 1imu h LYS 29 N 0.89 0.00 -6.07 4.80 3.64 -1.72 -3.40 116.57 114.72 1imu h LYS 29 Ca 0.23 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 59.09 1imu h LYS 29 Cb -0.01 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1imu h LYS 29 CO -0.04 0.00 1.33 -1.58 -2.27 0.00 0.00 179.45 176.89 1imu s TRP 30 N -4.75 1.72 0.00 1.91 0.52 -0.55 -4.76 118.94 113.03 1imu s TRP 30 Ca -0.05 0.76 0.00 0.00 0.02 0.00 0.00 56.10 56.83 1imu s TRP 30 Cb 0.16 -4.10 0.00 0.00 -1.15 0.00 0.00 33.47 28.38 1imu s TRP 30 CO 0.59 -2.44 0.30 0.00 0.02 0.00 0.00 176.95 175.42 1imu n GLN 31 N 8.96 0.00 -3.79 4.98 0.00 -1.26 -4.64 117.38 121.63 1imu n GLN 31 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 57.00 57.11 1imu n GLN 31 Cb 0.51 -0.55 -0.04 0.00 0.00 0.00 0.00 30.24 30.15 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 1.50 0.04 -0.38 -0.39 2.01 -1.26 -4.99 115.64 112.17 1imu s THR 32 Ca 0.00 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.10 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 -0.16 0.17 0.00 -0.69 0.00 0.00 174.62 173.93 1imu s GLN 33 N -3.89 1.05 -0.84 4.92 0.00 -1.26 -4.97 119.66 114.67 1imu s GLN 33 Ca 0.11 -1.60 -0.21 0.00 -0.00 0.00 0.00 55.36 53.66 1imu s GLN 33 Cb 0.00 -2.23 -0.20 0.00 0.00 0.00 0.00 33.01 30.58 1imu s GLN 33 CO -0.02 -1.08 2.36 1.28 0.00 0.00 0.00 175.29 177.83 1imu n LEU 34 N 4.14 0.71 -0.07 2.60 7.99 -1.25 -4.40 117.00 126.71 1imu n LEU 34 Ca 0.04 -0.91 0.10 0.00 -0.01 0.00 0.00 56.01 55.23 1imu n LEU 34 Cb 0.38 -1.23 0.48 0.00 -0.11 0.00 0.00 43.42 42.94 1imu n LEU 34 CO 0.19 -1.95 1.18 0.40 -1.51 0.00 0.00 177.39 175.70 1imu h ILE 35 N 7.51 0.94 -0.78 -0.08 2.04 0.49 -3.38 117.51 124.25 1imu h ILE 35 Ca -0.02 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1imu h ILE 35 Cb 1.11 0.44 -0.18 0.00 -0.74 0.00 0.00 36.82 37.45 1imu h ILE 35 CO 1.26 0.08 -0.36 -0.55 0.00 0.00 0.00 178.15 178.58 1imu s SER 36 N -6.33 -1.19 -0.35 1.72 0.15 -1.25 -4.85 113.70 101.60 1imu s SER 36 Ca -0.08 -0.70 -0.21 0.00 0.70 0.00 0.00 55.95 55.66 1imu s SER 36 Cb 0.19 1.53 0.00 0.00 -1.71 0.00 0.00 66.02 66.04 1imu s SER 36 CO 0.75 -0.12 0.69 -2.16 1.20 0.00 0.00 173.24 173.59 1imu s PRO 37 N 1.77 3.74 0.39 5.44 0.04 -1.26 -1.99 135.00 143.14 1imu s PRO 37 Ca 0.17 0.19 0.05 0.00 0.04 0.00 0.00 61.00 61.45 1imu s PRO 37 Cb -0.01 -3.79 -0.06 0.00 0.04 0.00 0.00 34.50 30.67 1imu s PRO 37 CO -0.09 -0.75 0.03 -1.01 0.04 0.00 0.00 177.00 175.23 1imu s HIS 38 N 2.82 2.21 -0.31 0.56 3.76 0.30 -0.03 115.29 124.60 1imu s HIS 38 Ca 0.27 -0.84 0.02 0.00 -0.15 0.00 0.00 55.06 54.36 1imu s HIS 38 Cb -0.14 -1.55 0.16 0.00 1.11 0.00 0.00 32.58 32.16 1imu s HIS 38 CO 0.15 0.22 0.40 -0.06 -0.85 0.00 0.00 174.74 174.60 1imu s PHE 39 N -2.96 -0.82 -0.94 1.40 0.40 0.32 -1.97 117.98 113.41 1imu s PHE 39 Ca 0.31 -0.00 -0.18 0.00 -0.60 0.00 0.00 56.93 56.46 1imu s PHE 39 Cb 0.08 -0.23 0.13 0.00 0.51 0.00 0.00 43.02 43.52 1imu s PHE 39 CO 0.15 -0.99 1.13 0.08 0.70 0.00 0.00 175.22 176.30 1imu s VAL 40 N 2.24 4.76 -0.05 -0.44 1.01 0.42 -2.51 120.40 125.83 1imu s VAL 40 Ca 0.11 -1.64 -0.06 0.00 0.00 0.00 0.00 61.98 60.39 1imu s VAL 40 Cb -0.13 -4.78 -0.04 0.00 0.00 0.00 0.00 36.38 31.43 1imu s VAL 40 CO -0.24 -1.50 0.20 -1.48 0.00 0.00 0.00 175.10 172.08 1imu s LEU 41 N 2.59 4.39 0.21 3.92 2.34 -1.26 0.09 118.68 130.96 1imu s LEU 41 Ca 0.33 0.50 -0.12 0.00 0.06 0.00 0.00 54.13 54.90 1imu s LEU 41 Cb -0.05 -2.40 -0.00 0.00 -0.56 0.00 0.00 46.19 43.17 1imu s LEU 41 CO -0.09 0.32 0.41 0.20 -1.06 0.00 0.00 176.35 176.13 1imu s ASN 42 N -1.44 -0.06 0.36 1.48 0.01 0.49 -3.77 114.94 112.00 1imu s ASN 42 Ca 0.22 -0.87 0.07 0.00 -0.71 0.00 0.00 52.86 51.57 1imu s ASN 42 Cb -0.13 0.53 -0.07 0.00 0.41 0.00 0.00 41.25 41.99 1imu s ASN 42 CO 0.12 -1.04 -0.02 -0.75 -1.51 0.00 0.00 177.10 173.90 1imu s LYS 43 N -3.99 1.80 -0.01 -0.60 2.20 -1.26 0.01 119.74 117.89 1imu s LYS 43 Ca 0.20 -1.98 -0.29 0.00 -0.36 0.00 0.00 55.97 53.55 1imu s LYS 43 Cb 0.01 -1.43 0.10 0.00 -1.51 0.00 0.00 37.83 35.00 1imu s LYS 43 CO 0.05 -0.01 0.88 0.14 -0.36 0.00 0.00 175.35 176.04 1imu s VAL 44 N -2.85 0.00 0.28 4.02 -7.23 0.47 -4.59 120.40 110.50 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 0.07 -1.00 0.27 0.00 0.56 0.00 0.00 36.38 36.28 1imu s VAL 44 CO 0.16 0.00 1.76 -0.65 -0.31 0.00 0.00 175.10 176.06 1imu h PRO 45 N 2.06 0.63 -0.00 4.82 0.11 -2.02 0.27 132.00 137.88 1imu h PRO 45 Ca -0.22 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1imu h PRO 45 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1imu h PRO 45 CO 0.31 0.42 0.00 0.27 -0.21 0.00 0.00 178.00 178.79 1imu n ASN 46 N -4.85 0.05 0.00 -2.05 6.94 -1.26 -4.98 115.26 109.10 1imu n ASN 46 Ca 0.20 -1.25 0.00 0.00 -0.02 0.00 0.00 54.58 53.51 1imu n ASN 46 Cb 0.50 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 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 0.84 3.43 4.83 0.00 0.95 -4.33 105.19 111.80 1imu n GLY 47 Ca 0.18 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.86 3.06 -0.26 1.61 0.40 0.44 0.18 117.98 120.54 1imu s PHE 48 Ca 0.00 -0.49 -0.13 0.00 -0.60 0.00 0.00 56.93 55.71 1imu s PHE 48 Cb 0.00 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.31 1imu s PHE 48 CO 0.00 -0.34 0.27 -1.54 0.70 0.00 0.00 175.22 174.31 1imu s SER 49 N 1.39 6.16 0.05 1.36 1.04 0.10 -0.91 113.70 122.89 1imu s SER 49 Ca 0.05 0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.70 1imu s SER 49 Cb -0.15 -2.16 -0.02 0.00 0.10 0.00 0.00 66.02 63.79 1imu s SER 49 CO 0.02 -0.08 -0.14 0.54 0.98 0.00 0.00 173.24 174.56 1imu s VAL 50 N 1.71 1.11 -0.15 5.02 0.11 0.12 0.18 120.40 128.50 1imu s VAL 50 Ca 0.11 -1.11 -0.10 0.00 -2.93 0.00 0.00 61.98 57.95 1imu s VAL 50 Cb -0.15 -1.03 0.05 0.00 -1.53 0.00 0.00 36.38 33.72 1imu s VAL 50 CO 0.09 -0.08 0.37 -0.70 -3.33 0.00 0.00 175.10 171.46 1imu s GLU 51 N -1.35 0.38 0.24 1.54 2.12 0.11 0.65 118.70 122.40 1imu s GLU 51 Ca 0.00 0.64 0.11 0.00 0.36 0.00 0.00 54.97 56.08 1imu s GLU 51 Cb -0.09 0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.32 1imu s GLU 51 CO 0.02 -0.12 -0.13 0.00 -0.54 0.00 0.00 175.26 174.49 1imu s ALA 52 N 0.89 2.87 -0.25 6.30 0.00 0.10 0.16 121.76 131.83 1imu s ALA 52 Ca -0.06 -1.69 -0.02 0.00 0.00 0.00 0.00 51.96 50.19 1imu s ALA 52 Cb -0.06 -0.51 0.13 0.00 0.00 0.00 0.00 23.12 22.67 1imu s ALA 52 CO -0.07 0.34 0.35 -1.54 0.00 0.00 0.00 175.76 174.85 1imu s SER 53 N -3.26 0.52 -0.01 0.00 1.04 -0.83 0.13 113.70 111.29 1imu s SER 53 Ca 0.28 0.03 0.07 0.00 0.48 0.00 0.00 55.95 56.80 1imu s SER 53 Cb -0.07 0.97 -0.02 0.00 0.10 0.00 0.00 66.02 67.00 1imu s SER 53 CO 0.15 -0.32 -0.21 -0.63 0.98 0.00 0.00 173.24 173.22 1imu s ILE 54 N 2.50 1.65 0.04 -1.02 1.01 0.13 0.11 121.20 125.62 1imu s ILE 54 Ca 0.11 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 1imu s ILE 54 Cb -0.15 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 1imu s ILE 54 CO -0.18 0.42 0.32 -0.83 0.00 0.00 0.00 174.94 174.67 1imu s GLY 55 N -0.61 2.27 -0.01 6.18 0.00 -0.84 0.19 107.32 114.51 1imu s GLY 55 Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.28 1imu s GLY 55 CO -0.00 -0.35 0.01 -0.51 0.00 0.00 0.00 173.10 172.25 1imu s THR 56 N -1.37 0.03 0.66 0.90 -4.23 -1.23 0.11 115.64 110.51 1imu s THR 56 Ca 0.31 0.06 0.28 0.00 -1.18 0.00 0.00 61.69 61.15 1imu s THR 56 Cb -0.13 -0.08 0.29 0.00 1.34 0.00 0.00 72.50 73.92 1imu s THR 56 CO 0.18 0.05 1.86 -0.65 -0.54 0.00 0.00 174.62 175.51 1imu h PRO 57 N 6.57 0.00 0.00 3.99 0.11 -2.00 1.01 132.00 141.69 1imu h PRO 57 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 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 0.50 0.00 -0.71 -0.07 -0.21 0.00 0.00 178.00 177.51 1imu h LEU 58 N 0.00 0.00 0.00 2.35 4.07 -1.96 -3.48 115.31 116.29 1imu h LEU 58 Ca 0.03 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.75 1imu h LEU 58 Cb 0.82 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1imu h LEU 58 CO -0.00 0.12 0.00 0.61 -1.08 0.00 0.00 178.44 178.09 1imu n GLY 59 N 1.34 3.93 3.17 0.83 0.00 0.35 -5.00 105.19 109.81 1imu n GLY 59 Ca 0.03 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.97 -3.84 1.61 4.13 -1.24 -3.49 115.26 109.46 1imu n ASN 60 Ca 0.00 0.01 -0.12 0.00 1.68 0.00 0.00 54.58 56.15 1imu n ASN 60 Cb 0.00 -0.81 -0.13 0.00 -1.54 0.00 0.00 39.78 37.30 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 2.93 1.57 0.04 3.41 1.02 0.51 -4.75 118.68 123.41 1imu s LEU 61 Ca 0.48 0.20 -0.06 0.00 0.02 0.00 0.00 54.13 54.76 1imu s LEU 61 Cb -0.06 0.40 -0.01 0.00 0.02 0.00 0.00 46.19 46.55 1imu s LEU 61 CO 0.68 -0.06 0.12 -0.76 0.02 0.00 0.00 176.35 176.36 1imu s LEU 62 N -0.02 1.69 0.09 1.79 2.01 -1.26 0.17 118.68 123.15 1imu s LEU 62 Ca -0.01 -0.48 -0.17 0.00 0.01 0.00 0.00 54.13 53.48 1imu s LEU 62 Cb -0.01 0.69 0.04 0.00 0.01 0.00 0.00 46.19 46.91 1imu s LEU 62 CO 0.00 -0.51 0.41 0.00 1.01 0.00 0.00 176.35 177.26 1imu s ALA 63 N -2.54 -0.99 -0.28 4.21 0.00 0.12 -4.68 121.76 117.59 1imu s ALA 63 Ca -0.05 0.14 -0.21 0.00 0.00 0.00 0.00 51.96 51.84 1imu s ALA 63 Cb -0.01 0.54 0.10 0.00 0.00 0.00 0.00 23.12 23.74 1imu s ALA 63 CO -0.04 -0.56 0.84 -1.54 0.00 0.00 0.00 175.76 174.46 1imu s SER 64 N -2.43 -0.68 -0.10 0.00 1.04 -1.26 0.02 113.70 110.28 1imu s SER 64 Ca -0.01 1.20 -0.16 0.00 0.48 0.00 0.00 55.95 57.46 1imu s SER 64 Cb 0.01 1.25 0.04 0.00 0.10 0.00 0.00 66.02 67.41 1imu s SER 64 CO -0.08 -0.20 0.41 0.00 0.98 0.00 0.00 173.24 174.36 1imu s ALA 65 N 0.88 -1.03 -0.18 5.32 0.00 0.21 -4.89 121.76 122.08 1imu s ALA 65 Ca -0.04 0.93 0.01 0.00 0.00 0.00 0.00 51.96 52.86 1imu s ALA 65 Cb -0.05 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.72 1imu s ALA 65 CO -0.10 -0.23 -0.12 0.99 0.00 0.00 0.00 175.76 176.30 1imu s THR 66 N -0.39 1.62 0.04 0.00 2.01 -1.25 0.11 115.64 117.78 1imu s THR 66 Ca -0.05 -0.86 -0.21 0.00 0.31 0.00 0.00 61.69 60.87 1imu s THR 66 Cb -0.03 -1.63 0.05 0.00 0.01 0.00 0.00 72.50 70.90 1imu s THR 66 CO 0.03 0.29 0.49 -0.44 -0.69 0.00 0.00 174.62 174.30 1imu s SER 67 N 1.43 -0.40 0.00 3.53 0.01 -0.09 -4.85 113.70 113.32 1imu s SER 67 Ca 0.01 0.16 0.16 0.00 1.31 0.00 0.00 55.95 57.59 1imu s SER 67 Cb -0.15 0.47 0.85 0.00 0.21 0.00 0.00 66.02 67.40 1imu s SER 67 CO -0.09 -0.69 1.43 -0.67 0.41 0.00 0.00 173.24 173.63 1imu n ASP 68 N 0.50 0.00 -4.13 2.44 2.03 -1.26 0.17 116.55 116.30 1imu n ASP 68 Ca -0.19 -0.10 -0.38 0.00 0.52 0.00 0.00 54.79 54.65 1imu n ASP 68 Cb 0.60 -0.20 -0.10 0.00 -0.72 0.00 0.00 41.12 40.70 1imu n ASP 68 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1imu s ASP 69 N -2.41 5.39 0.00 1.67 -1.08 -1.26 -4.76 116.67 114.22 1imu s ASP 69 Ca 0.18 -2.43 0.00 0.00 -0.52 0.00 0.00 52.55 49.78 1imu s ASP 69 Cb 0.11 -1.89 0.00 0.00 -1.46 0.00 0.00 42.92 39.68 1imu s ASP 69 CO 0.23 -0.49 0.92 0.23 0.52 0.00 0.00 175.17 176.58 1imu n MET 70 N 4.10 0.00 0.26 4.34 2.81 -1.26 0.12 117.12 127.50 1imu n MET 70 Ca 0.02 0.92 0.11 0.00 -1.81 0.00 0.00 57.70 56.95 1imu n MET 70 Cb 0.40 -1.39 0.72 0.00 -0.71 0.00 0.00 33.22 32.24 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 -0.10 2.03 -1.99 -1.96 0.73 116.97 115.68 1imu h TYR 71 Ca 0.00 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.52 1imu h TYR 71 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1imu h TYR 71 CO -0.86 0.09 -0.79 -0.22 -0.00 0.00 0.00 178.16 176.38 1imu h LYS 72 N 0.00 0.58 -0.29 4.88 1.63 -1.51 1.60 116.57 123.47 1imu h LYS 72 Ca -0.00 -0.50 -0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1imu h LYS 72 Cb 0.20 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1imu h LYS 72 CO 0.01 1.12 0.18 0.00 -3.45 0.00 0.00 179.45 177.31 1imu h ALA 73 N 0.73 0.37 -0.49 5.00 0.00 0.25 1.57 119.26 126.69 1imu h ALA 73 Ca -0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1imu h ALA 73 Cb 1.40 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1imu h ALA 73 CO 0.15 -0.14 0.04 0.82 0.00 0.00 0.00 179.25 180.13 1imu h ILE 74 N 0.37 1.23 -0.93 0.00 5.03 -0.77 0.26 117.51 122.71 1imu h ILE 74 Ca 0.10 -0.92 0.06 0.00 -0.12 0.00 0.00 64.86 63.98 1imu h ILE 74 Cb 0.00 0.81 -0.06 0.00 -3.03 0.00 0.00 36.82 34.55 1imu h ILE 74 CO -0.02 0.33 0.61 -1.13 -0.68 0.00 0.00 178.15 177.26 1imu h ASN 75 N 0.74 0.96 0.22 1.72 -0.73 0.46 0.16 115.58 119.11 1imu h ASN 75 Ca 0.15 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 1imu h ASN 75 Cb 0.39 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.77 1imu h ASN 75 CO 0.01 0.63 -0.10 -0.08 -0.37 0.00 0.00 177.43 177.52 1imu h GLU 76 N 1.10 -0.28 -0.50 6.67 4.57 0.37 -2.81 114.58 123.70 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 0.14 0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 28.69 1imu h GLU 76 CO -0.14 0.10 -0.28 0.28 -1.18 0.00 0.00 179.01 177.79 1imu h VAL 77 N -0.88 0.26 -0.76 0.32 2.07 -0.18 0.62 116.25 117.70 1imu h VAL 77 Ca -0.03 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.64 1imu h VAL 77 Cb 0.51 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1imu h VAL 77 CO 0.05 0.00 0.50 -0.08 0.02 0.00 0.00 177.57 178.06 1imu h GLU 78 N -0.16 0.42 -0.25 1.57 4.57 -0.77 0.75 114.58 120.71 1imu h GLU 78 Ca 0.22 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.27 1imu h GLU 78 Cb 0.52 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1imu h GLU 78 CO -0.60 0.28 -0.23 1.49 -1.18 0.00 0.00 179.01 178.77 1imu h GLU 79 N 0.44 0.60 -0.08 1.92 4.81 0.37 0.32 114.58 122.96 1imu h GLU 79 Ca 0.37 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1imu h GLU 79 Cb 0.82 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 1imu h GLU 79 CO -0.12 0.91 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.84 1imu h LYS 80 N 0.32 0.15 -0.54 1.92 3.64 0.15 0.45 116.57 122.65 1imu h LYS 80 Ca 0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1imu h LYS 80 Cb 0.79 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 1imu h LYS 80 CO 0.06 0.44 0.35 1.25 -2.27 0.00 0.00 179.45 179.28 1imu h LEU 81 N -0.16 0.63 -0.06 5.20 7.12 0.40 0.21 115.31 128.65 1imu h LEU 81 Ca 0.02 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 1imu h LEU 81 Cb 0.38 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.35 1imu h LEU 81 CO 0.01 0.46 0.01 -0.08 -0.13 0.00 0.00 178.44 178.71 1imu h GLU 82 N 0.73 0.10 -0.46 1.25 4.81 -0.27 0.13 114.58 120.87 1imu h GLU 82 Ca 0.20 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.49 1imu h GLU 82 Cb -0.07 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.21 1imu h GLU 82 CO -0.04 0.33 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.43 1imu h ARG 83 N -0.15 0.06 -0.80 1.92 2.43 0.21 0.41 114.38 118.46 1imu h ARG 83 Ca 0.02 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1imu h ARG 83 Cb 0.28 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 1imu h ARG 83 CO 0.00 0.04 0.48 1.96 -1.51 0.00 0.00 179.97 180.94 1imu h GLN 84 N 0.06 1.09 -0.23 0.20 4.20 -0.42 0.17 115.11 120.18 1imu h GLN 84 Ca 0.23 -0.10 0.05 0.00 0.06 0.00 0.00 58.65 58.89 1imu h GLN 84 Cb 0.34 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 1imu h GLN 84 CO -0.42 0.77 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.32 1imu h LEU 85 N 1.10 -0.36 -1.53 1.46 3.38 0.19 0.29 115.31 119.84 1imu h LEU 85 Ca 0.29 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.38 1imu h LEU 85 Cb -0.04 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1imu h LEU 85 CO -0.05 -0.14 0.35 -1.13 0.09 0.00 0.00 178.44 177.56 1imu h ASN 86 N -0.08 0.52 0.07 -0.43 -1.24 0.44 0.85 115.58 115.71 1imu h ASN 86 Ca 0.12 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 1imu h ASN 86 Cb 0.26 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.19 1imu h ASN 86 CO -0.28 0.36 -0.04 0.50 -1.29 0.00 0.00 177.43 176.68 1imu h LYS 87 N 0.61 -0.11 0.91 6.67 3.64 0.24 0.89 116.57 129.42 1imu h LYS 87 Ca 0.21 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1imu h LYS 87 Cb 0.10 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1imu h LYS 87 CO -0.06 -0.07 -0.49 -0.07 -2.27 0.00 0.00 179.45 176.49 1imu h LEU 88 N -0.11 -1.19 -2.03 5.20 3.38 0.43 0.94 115.31 121.93 1imu h LEU 88 Ca -0.00 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1imu h LEU 88 Cb 0.10 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1imu h LEU 88 CO 0.00 -0.79 0.38 1.56 0.09 0.00 0.00 178.44 179.68 1imu h GLN 89 N -1.29 0.00 0.03 1.13 7.50 -0.78 -2.50 115.11 119.19 1imu h GLN 89 Ca -0.12 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.02 1imu h GLN 89 Cb 1.01 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.54 1imu h GLN 89 CO 0.17 0.00 -0.01 0.45 -1.50 0.00 0.00 178.83 177.94 1imu h HIS 90 N 0.00 -0.03 -5.05 2.96 3.86 0.19 -3.50 115.15 113.56 1imu h HIS 90 Ca 0.16 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1imu h HIS 90 Cb 0.92 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.37 1imu h HIS 90 CO 0.00 -0.02 -0.58 0.36 0.86 0.00 0.00 177.93 178.55 1imu n LYS 91 N -4.16 -2.54 -0.91 2.45 2.85 0.32 -5.05 118.16 111.11 1imu n LYS 91 Ca -0.00 1.96 0.00 0.00 -1.05 0.00 0.00 58.31 59.22 1imu n LYS 91 Cb 0.01 -2.53 0.00 0.00 -0.65 0.00 0.00 35.03 31.86 1imu n LYS 91 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1imu n SER 92 N 2.08 1.63 0.10 -5.58 7.64 -1.26 -5.09 113.62 113.14 1imu n SER 92 Ca -0.10 -0.50 -0.04 0.00 1.01 0.00 0.00 58.87 59.23 1imu n SER 92 Cb 0.16 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.34 1imu n SER 92 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1imu h GLU 93 N 0.00 -0.26 -7.31 1.43 4.22 -2.03 -3.45 114.58 107.18 1imu h GLU 93 Ca 0.00 0.02 -0.43 0.00 0.08 0.00 0.00 59.36 59.02 1imu h GLU 93 Cb 0.00 0.06 0.18 0.00 0.50 0.00 0.00 28.75 29.49 1imu h GLU 93 CO 0.00 -0.17 0.12 0.45 -2.18 0.00 0.00 179.01 177.23 1imu s SER 94 N -3.23 1.61 -0.30 1.04 0.15 -1.26 -5.08 113.70 106.64 1imu s SER 94 Ca -0.04 1.07 -0.15 0.00 0.70 0.00 0.00 55.95 57.53 1imu s SER 94 Cb 0.00 -1.64 0.16 0.00 -1.71 0.00 0.00 66.02 62.83 1imu s SER 94 CO 0.12 -3.75 0.94 -0.60 1.20 0.00 0.00 173.24 171.15 1imu s ARG 95 N -4.99 0.34 -0.20 5.44 3.00 -1.26 -5.07 118.95 116.21 1imu s ARG 95 Ca 0.68 0.81 -0.30 0.00 -1.00 0.00 0.00 55.73 55.91 1imu s ARG 95 Cb -0.17 0.44 0.15 0.00 0.00 0.00 0.00 34.95 35.37 1imu s ARG 95 CO 0.59 -0.11 1.14 1.03 0.00 0.00 0.00 175.30 177.94 1imu s ARG 96 N 2.35 0.39 -0.29 5.12 0.52 -1.26 -5.17 118.95 120.61 1imu s ARG 96 Ca -0.04 0.04 -0.13 0.00 -0.52 0.00 0.00 55.73 55.08 1imu s ARG 96 Cb -0.06 0.18 0.12 0.00 0.52 0.00 0.00 34.95 35.71 1imu s ARG 96 CO -0.17 -0.13 0.75 0.00 0.02 0.00 0.00 175.30 175.76 1imu s ALA 97 N -1.36 -2.11 0.17 2.13 0.00 -1.26 -5.17 121.76 114.15 1imu s ALA 97 Ca 0.04 2.32 0.07 0.00 0.00 0.00 0.00 51.96 54.38 1imu s ALA 97 Cb -0.01 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 1imu s ALA 97 CO -0.03 -0.70 -0.15 0.34 0.00 0.00 0.00 175.76 175.22 1imu s ASP 98 N 2.27 2.39 0.01 0.00 -1.08 -1.26 -5.16 116.67 113.84 1imu s ASP 98 Ca -0.07 -0.93 0.01 0.00 -0.52 0.00 0.00 52.55 51.04 1imu s ASP 98 Cb -0.08 -0.11 -0.01 0.00 -1.46 0.00 0.00 42.92 41.26 1imu s ASP 98 CO -0.19 -0.14 -0.03 -1.61 0.52 0.00 0.00 175.17 173.72 1imu s GLU 99 N -3.20 0.26 0.91 4.34 8.01 -1.26 -5.16 118.70 122.61 1imu s GLU 99 Ca 0.17 -0.30 -0.14 0.00 0.01 0.00 0.00 54.97 54.71 1imu s GLU 99 Cb -0.03 -0.14 0.15 0.00 -4.31 0.00 0.00 34.13 29.81 1imu s GLU 99 CO 0.05 0.03 1.24 -0.98 0.01 0.00 0.00 175.26 175.61 1imu s ARG 100 N -0.59 1.10 0.37 1.61 1.70 -1.26 -5.10 118.95 116.78 1imu s ARG 100 Ca -0.04 -0.13 0.01 0.00 -0.47 0.00 0.00 55.73 55.09 1imu s ARG 100 Cb -0.04 -1.87 0.01 0.00 -0.57 0.00 0.00 34.95 32.47 1imu s ARG 100 CO -0.00 -2.15 0.06 1.28 -1.08 0.00 0.00 175.30 173.41 1imu n LEU 101 N -3.65 0.00 -4.90 -1.89 4.77 -1.26 -5.14 117.00 104.94 1imu n LEU 101 Ca 0.12 -2.26 -0.31 0.00 -0.03 0.00 0.00 56.01 53.53 1imu n LEU 101 Cb 0.60 0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.85 1imu n LEU 101 CO 0.51 -0.36 0.12 -0.75 -1.33 0.00 0.00 177.39 175.58 1imu s LYS 102 N -3.39 3.66 -0.40 3.23 2.20 -1.26 -4.68 119.74 119.11 1imu s LYS 102 Ca 0.04 0.01 -0.13 0.00 -0.36 0.00 0.00 55.97 55.54 1imu s LYS 102 Cb -0.00 -2.74 0.02 0.00 -1.51 0.00 0.00 37.83 33.59 1imu s LYS 102 CO 0.03 0.36 0.49 -0.25 -0.36 0.00 0.00 175.35 175.62 1imu n ASP 103 N -0.28 -7.79 -4.80 1.43 8.00 -1.26 -5.06 116.55 106.80 1imu n ASP 103 Ca -0.02 0.66 -0.32 0.00 0.71 0.00 0.00 54.79 55.82 1imu n ASP 103 Cb 0.53 -5.26 -0.06 0.00 -0.02 0.00 0.00 41.12 36.31 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 -2.41 4.24 0.02 -2.24 1.04 -1.26 -5.06 113.70 108.03 1imu s SER 104 Ca 0.20 -1.59 0.06 0.00 0.48 0.00 0.00 55.95 55.11 1imu s SER 104 Cb -0.06 0.54 -0.24 0.00 0.10 0.00 0.00 66.02 66.37 1imu s SER 104 CO 0.75 -0.92 0.91 -0.26 0.98 0.00 0.00 173.24 174.70 1imu h PHE 105 N 1.22 0.12 -2.97 5.02 0.04 -1.99 -3.45 116.94 114.93 1imu h PHE 105 Ca -0.43 -0.09 -0.67 0.00 2.80 0.00 0.00 57.97 59.58 1imu h PHE 105 Cb 1.32 -0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.35 1imu h PHE 105 CO 1.45 1.11 -0.55 -2.00 -0.60 0.00 0.00 178.31 177.73 1imu s GLU 106 N -2.64 3.25 0.00 1.51 2.12 -1.26 -5.34 118.70 116.34 1imu s GLU 106 Ca -0.04 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.03 1imu s GLU 106 Cb 0.08 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.46 1imu s GLU 106 CO 0.83 0.73 0.00 0.09 -0.54 0.00 0.00 175.26 176.37