#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 0.03 -2.42 3.17 -1.04 -1.26 -5.00 114.28 107.77 1imu n THR 2 Ca 0.00 -0.29 -0.01 0.00 -2.04 0.00 0.00 64.05 61.71 1imu n THR 2 Cb 0.00 0.56 -0.01 0.00 -1.82 0.00 0.00 70.33 69.06 1imu n THR 2 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1imu n LEU 3 N 0.29 -6.10 -4.92 -4.42 0.00 -1.26 -4.81 117.00 95.78 1imu n LEU 3 Ca 0.18 2.60 -0.26 0.00 0.00 0.00 0.00 56.01 58.53 1imu n LEU 3 Cb 0.37 -3.14 0.02 0.00 0.00 0.00 0.00 43.42 40.68 1imu n LEU 3 CO 0.16 -3.16 0.46 0.20 0.00 0.00 0.00 177.39 175.05 1imu s ASN 4 N -0.57 5.77 0.07 1.96 0.01 0.23 -4.86 114.94 117.55 1imu s ASN 4 Ca -0.07 0.66 0.05 0.00 -0.71 0.00 0.00 52.86 52.79 1imu s ASN 4 Cb 0.00 -1.77 -0.03 0.00 0.41 0.00 0.00 41.25 39.86 1imu s ASN 4 CO 0.20 -0.89 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.12 1imu s ILE 5 N -2.85 1.13 -0.25 0.60 1.09 -1.26 -0.30 121.20 119.36 1imu s ILE 5 Ca 0.51 -1.28 -0.02 0.00 -1.10 0.00 0.00 60.65 58.76 1imu s ILE 5 Cb -0.10 -1.08 0.08 0.00 -1.06 0.00 0.00 42.46 40.30 1imu s ILE 5 CO 0.43 -0.19 0.08 -0.89 -0.10 0.00 0.00 174.94 174.27 1imu s THR 6 N -1.22 0.54 -0.24 2.92 2.01 0.27 -4.84 115.64 115.07 1imu s THR 6 Ca -0.01 -0.89 -0.04 0.00 0.31 0.00 0.00 61.69 61.06 1imu s THR 6 Cb -0.10 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.17 1imu s THR 6 CO 0.02 -0.47 -0.03 -0.94 -0.69 0.00 0.00 174.62 172.51 1imu s SER 7 N 1.82 4.42 0.15 3.53 1.04 -1.26 -1.44 113.70 121.96 1imu s SER 7 Ca 0.05 -0.60 0.25 0.00 0.48 0.00 0.00 55.95 56.13 1imu s SER 7 Cb -0.17 -1.74 0.93 0.00 0.10 0.00 0.00 66.02 65.15 1imu s SER 7 CO -0.19 -0.08 1.78 2.29 0.98 0.00 0.00 173.24 178.01 1imu n LYS 8 N 4.77 0.16 0.06 4.02 2.85 -1.25 -4.61 118.16 124.16 1imu n LYS 8 Ca -0.17 0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1imu n LYS 8 Cb 0.49 -1.71 0.00 0.00 -0.65 0.00 0.00 35.03 33.16 1imu n LYS 8 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1imu n GLN 9 N -1.99 0.00 -3.10 -1.58 0.00 -1.26 -5.04 117.38 104.41 1imu n GLN 9 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 57.00 56.61 1imu n GLN 9 Cb 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.53 1imu n GLN 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1imu s MET 10 N -2.00 3.13 1.08 2.61 0.23 -1.26 -5.05 119.30 118.04 1imu s MET 10 Ca 0.00 -0.90 -0.15 0.00 -1.03 0.00 0.00 55.69 53.61 1imu s MET 10 Cb 0.00 -4.13 0.21 0.00 -1.53 0.00 0.00 34.83 29.37 1imu s MET 10 CO 0.00 -1.35 0.42 -0.40 -2.03 0.00 0.00 175.02 171.67 1imu n ASP 11 N 6.43 -3.17 -4.87 -1.18 5.68 -1.26 -4.68 116.55 113.51 1imu n ASP 11 Ca -0.06 -0.46 -0.36 0.00 -0.50 0.00 0.00 54.79 53.41 1imu n ASP 11 Cb 0.45 -0.81 -0.06 0.00 -1.14 0.00 0.00 41.12 39.56 1imu n ASP 11 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1imu s ILE 12 N -2.08 5.25 0.35 2.12 -1.09 -1.26 -5.00 121.20 119.48 1imu s ILE 12 Ca 0.41 0.42 0.07 0.00 -2.23 0.00 0.00 60.65 59.33 1imu s ILE 12 Cb -0.07 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 1imu s ILE 12 CO 0.37 0.50 0.27 0.42 -1.23 0.00 0.00 174.94 175.27 1imu s THR 13 N -1.16 0.05 0.19 2.92 -4.23 -1.26 -4.94 115.64 107.21 1imu s THR 13 Ca 0.23 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.55 1imu s THR 13 Cb -0.14 -2.48 0.15 0.00 1.34 0.00 0.00 72.50 71.37 1imu s THR 13 CO 0.12 0.00 1.59 -0.65 -0.54 0.00 0.00 174.62 175.14 1imu h PRO 14 N 2.08 -0.13 0.00 3.99 0.11 -1.98 0.34 132.00 136.41 1imu h PRO 14 Ca -0.25 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1imu h PRO 14 Cb 1.23 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1imu h PRO 14 CO 0.37 -0.08 0.00 0.00 -0.21 0.00 0.00 178.00 178.08 1imu n ALA 15 N -3.17 -0.13 -0.01 -0.75 0.00 -1.26 0.94 120.51 116.13 1imu n ALA 15 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.43 1imu n ALA 15 Cb 0.36 0.18 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 1imu n ALA 15 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1imu h ILE 16 N 0.00 0.00 -0.89 0.00 5.03 -1.94 1.05 117.51 120.76 1imu h ILE 16 Ca 0.00 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.82 1imu h ILE 16 Cb 0.00 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 33.68 1imu h ILE 16 CO 0.00 0.00 -0.56 -0.09 -0.68 0.00 0.00 178.15 176.82 1imu h ARG 17 N -0.25 -0.04 -0.95 2.37 2.43 -0.33 0.83 114.38 118.44 1imu h ARG 17 Ca 0.02 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1imu h ARG 17 Cb 0.30 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 1imu h ARG 17 CO -0.21 -0.03 0.63 1.49 -1.51 0.00 0.00 179.97 180.34 1imu h GLU 18 N -0.05 1.17 0.05 0.20 4.57 0.94 0.25 114.58 121.71 1imu h GLU 18 Ca 0.14 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1imu h GLU 18 Cb 0.42 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1imu h GLU 18 CO -0.87 0.77 -0.02 1.25 -1.18 0.00 0.00 179.01 178.96 1imu h HIS 19 N 1.20 -0.06 -0.68 0.92 2.76 0.58 0.68 115.15 120.55 1imu h HIS 19 Ca 0.38 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.68 1imu h HIS 19 Cb 0.01 0.02 -0.13 0.00 1.55 0.00 0.00 27.41 28.86 1imu h HIS 19 CO -0.00 -0.04 -0.19 -0.07 -1.30 0.00 0.00 177.93 176.34 1imu h LEU 20 N -0.07 -0.68 0.20 0.26 3.38 0.47 0.71 115.31 119.58 1imu h LEU 20 Ca -0.01 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1imu h LEU 20 Cb 0.05 0.44 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1imu h LEU 20 CO 0.01 -0.23 -0.22 -0.33 0.09 0.00 0.00 178.44 177.76 1imu h GLU 21 N -0.01 -0.44 -0.51 1.13 5.08 -0.49 0.24 114.58 119.57 1imu h GLU 21 Ca 0.32 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.79 1imu h GLU 21 Cb 0.51 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 1imu h GLU 21 CO -0.71 -0.29 0.17 1.49 -1.00 0.00 0.00 179.01 178.67 1imu h GLU 22 N -0.46 0.33 -0.90 2.33 4.57 0.21 0.30 114.58 120.97 1imu h GLU 22 Ca 0.00 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.23 1imu h GLU 22 Cb 0.43 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.88 1imu h GLU 22 CO -0.06 0.22 0.56 0.00 -1.18 0.00 0.00 179.01 178.55 1imu h ARG 23 N 0.34 0.99 -0.25 1.92 2.47 0.88 0.27 114.38 120.99 1imu h ARG 23 Ca 0.25 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.90 1imu h ARG 23 Cb 0.29 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 1imu h ARG 23 CO -0.27 0.65 0.10 1.25 0.56 0.00 0.00 179.97 182.27 1imu h LEU 24 N 1.02 0.35 -1.74 3.04 5.85 0.14 0.37 115.31 124.33 1imu h LEU 24 Ca 0.39 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.98 1imu h LEU 24 Cb 0.18 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1imu h LEU 24 CO -0.18 0.42 0.23 0.00 -0.34 0.00 0.00 178.44 178.57 1imu h ALA 25 N 0.94 1.90 -0.05 1.25 0.00 0.66 0.34 119.26 124.30 1imu h ALA 25 Ca 0.08 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.74 1imu h ALA 25 Cb 0.18 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1imu h ALA 25 CO -0.01 0.05 -0.90 -0.22 0.00 0.00 0.00 179.25 178.17 1imu h LYS 26 N 0.33 0.70 0.00 0.00 3.11 0.31 -3.01 116.57 118.02 1imu h LYS 26 Ca 0.14 -0.69 0.00 0.00 -2.81 0.00 0.00 60.65 57.30 1imu h LYS 26 Cb 0.15 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.56 1imu h LYS 26 CO -0.03 1.28 0.00 1.28 -2.81 0.00 0.00 179.45 179.17 1imu n LEU 27 N -3.93 0.00 0.18 5.20 4.77 0.12 -3.11 117.00 120.24 1imu n LEU 27 Ca -0.10 0.47 0.03 0.00 -0.03 0.00 0.00 56.01 56.39 1imu n LEU 27 Cb 0.81 -0.47 0.42 0.00 -2.33 0.00 0.00 43.42 41.85 1imu n LEU 27 CO 0.54 -0.12 0.83 1.23 -1.33 0.00 0.00 177.39 178.55 1imu h GLY 28 N 3.78 0.06 1.88 -0.72 0.00 -0.24 -1.73 103.07 106.11 1imu h GLY 28 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1imu h GLY 28 CO 0.00 0.04 0.00 0.58 0.00 0.00 0.00 176.54 177.16 1imu n LYS 29 N -4.23 0.10 -2.58 4.80 2.85 -1.18 -4.63 118.16 113.29 1imu n LYS 29 Ca -0.02 0.08 -0.41 0.00 -1.05 0.00 0.00 58.31 56.91 1imu n LYS 29 Cb 0.31 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.16 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 -2.88 2.40 -0.39 5.58 0.52 -0.65 -4.88 118.94 118.64 1imu s TRP 30 Ca 0.15 0.04 -0.03 0.00 0.02 0.00 0.00 56.10 56.27 1imu s TRP 30 Cb 0.16 -4.57 -0.13 0.00 -1.15 0.00 0.00 33.47 27.78 1imu s TRP 30 CO 0.42 -1.91 1.38 0.00 0.02 0.00 0.00 176.95 176.86 1imu n GLN 31 N 9.00 0.00 -3.87 4.98 -0.00 -1.26 -4.69 117.38 121.54 1imu n GLN 31 Ca 0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 57.00 56.97 1imu n GLN 31 Cb 0.49 -0.94 -0.02 0.00 -0.00 0.00 0.00 30.24 29.77 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 0.00 0.00 -0.39 -0.39 2.01 -1.26 -4.92 115.64 110.68 1imu s THR 32 Ca 0.51 -1.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.44 1imu s THR 32 Cb -0.33 -2.10 0.10 0.00 0.01 0.00 0.00 72.50 70.19 1imu s THR 32 CO 0.22 0.00 0.17 -1.10 -0.69 0.00 0.00 174.62 173.22 1imu s GLN 33 N -3.78 1.99 -1.02 4.92 1.11 -1.26 -4.99 119.66 116.63 1imu s GLN 33 Ca 0.13 -1.77 -0.10 0.00 0.01 0.00 0.00 55.36 53.62 1imu s GLN 33 Cb -0.05 -3.51 -0.07 0.00 -1.01 0.00 0.00 33.01 28.36 1imu s GLN 33 CO 0.08 -1.02 2.19 1.28 0.01 0.00 0.00 175.29 177.83 1imu n LEU 34 N 4.57 5.40 -4.59 2.90 7.99 -1.25 -3.53 117.00 128.48 1imu n LEU 34 Ca -0.03 -3.18 -0.43 0.00 -0.01 0.00 0.00 56.01 52.37 1imu n LEU 34 Cb 0.42 -1.20 -0.03 0.00 -0.11 0.00 0.00 43.42 42.49 1imu n LEU 34 CO 0.31 0.63 1.86 -0.38 -1.51 0.00 0.00 177.39 178.30 1imu n ILE 35 N 4.59 0.33 -3.03 -0.08 5.41 0.49 -3.83 119.36 123.24 1imu n ILE 35 Ca 0.51 -0.47 -0.00 0.00 1.00 0.00 0.00 62.75 63.79 1imu n ILE 35 Cb 0.22 -2.55 -0.00 0.00 -0.71 0.00 0.00 39.64 36.60 1imu n ILE 35 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1imu n SER 36 N 11.77 -6.96 -4.65 4.38 2.88 -1.26 -0.47 113.62 119.31 1imu n SER 36 Ca 0.30 0.76 -0.39 0.00 -1.33 0.00 0.00 58.87 58.22 1imu n SER 36 Cb 0.44 -2.82 -0.08 0.00 -0.75 0.00 0.00 64.21 61.01 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 -1.16 4.11 0.42 -1.46 0.04 -1.25 -3.28 135.00 132.43 1imu s PRO 37 Ca -0.01 0.14 0.05 0.00 0.04 0.00 0.00 61.00 61.23 1imu s PRO 37 Cb 0.00 -3.58 -0.06 0.00 0.04 0.00 0.00 34.50 30.89 1imu s PRO 37 CO 0.26 -0.14 0.02 -1.01 0.04 0.00 0.00 177.00 176.17 1imu s HIS 38 N 1.62 2.31 -0.26 0.56 3.76 0.22 0.78 115.29 124.28 1imu s HIS 38 Ca 0.17 -0.77 -0.01 0.00 -0.15 0.00 0.00 55.06 54.30 1imu s HIS 38 Cb -0.15 -1.68 0.14 0.00 1.11 0.00 0.00 32.58 32.00 1imu s HIS 38 CO 0.08 0.34 0.37 -0.06 -0.85 0.00 0.00 174.74 174.63 1imu s PHE 39 N -2.82 -0.83 -1.00 1.40 0.40 0.59 -2.22 117.98 113.51 1imu s PHE 39 Ca 0.29 0.57 -0.18 0.00 -0.60 0.00 0.00 56.93 57.01 1imu s PHE 39 Cb 0.08 -0.09 0.13 0.00 0.51 0.00 0.00 43.02 43.65 1imu s PHE 39 CO 0.15 -0.81 1.22 0.08 0.70 0.00 0.00 175.22 176.56 1imu s VAL 40 N 2.52 4.71 0.00 -0.44 1.01 0.49 0.96 120.40 129.66 1imu s VAL 40 Ca 0.11 -1.73 -0.19 0.00 0.00 0.00 0.00 61.98 60.17 1imu s VAL 40 Cb -0.14 -4.83 -0.06 0.00 0.00 0.00 0.00 36.38 31.35 1imu s VAL 40 CO -0.21 -1.57 0.56 -0.22 0.00 0.00 0.00 175.10 173.65 1imu s LEU 41 N 2.68 4.43 0.11 3.92 2.96 -0.52 -0.12 118.68 132.14 1imu s LEU 41 Ca 0.36 1.13 -0.13 0.00 -0.22 0.00 0.00 54.13 55.27 1imu s LEU 41 Cb -0.04 -2.86 0.02 0.00 0.50 0.00 0.00 46.19 43.81 1imu s LEU 41 CO -0.07 0.16 0.30 0.20 -1.32 0.00 0.00 176.35 175.62 1imu s ASN 42 N -0.41 -0.07 0.31 3.68 0.01 0.15 -3.82 114.94 114.79 1imu s ASN 42 Ca 0.29 -0.48 0.06 0.00 -0.71 0.00 0.00 52.86 52.02 1imu s ASN 42 Cb -0.18 0.41 -0.06 0.00 0.41 0.00 0.00 41.25 41.83 1imu s ASN 42 CO 0.16 -0.80 -0.02 -0.75 -1.51 0.00 0.00 177.10 174.19 1imu s LYS 43 N -3.83 1.64 0.10 -0.60 2.20 -1.26 -0.09 119.74 117.91 1imu s LYS 43 Ca 0.04 -1.87 -0.25 0.00 -0.36 0.00 0.00 55.97 53.53 1imu s LYS 43 Cb 0.03 -1.15 0.07 0.00 -1.51 0.00 0.00 37.83 35.27 1imu s LYS 43 CO -0.11 -0.04 0.62 0.14 -0.36 0.00 0.00 175.35 175.60 1imu s VAL 44 N -3.05 0.00 0.27 4.02 -7.23 0.23 -4.64 120.40 110.00 1imu s VAL 44 Ca 0.32 0.00 -0.00 0.00 -1.81 0.00 0.00 61.98 60.49 1imu s VAL 44 Cb 0.06 -1.00 0.26 0.00 0.56 0.00 0.00 36.38 36.26 1imu s VAL 44 CO 0.14 0.00 1.71 -0.65 -0.31 0.00 0.00 175.10 175.99 1imu h PRO 45 N 2.26 0.41 -0.03 4.82 0.11 -2.02 0.31 132.00 137.87 1imu h PRO 45 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1imu h PRO 45 Cb 1.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1imu h PRO 45 CO 0.38 0.27 0.00 0.27 -0.21 0.00 0.00 178.00 178.71 1imu n ASN 46 N -5.03 0.21 0.00 -2.05 6.94 -1.26 -4.98 115.26 109.08 1imu n ASN 46 Ca 0.18 -1.68 0.00 0.00 -0.02 0.00 0.00 54.58 53.06 1imu n ASN 46 Cb 0.54 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 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 0.72 0.21 3.04 4.83 0.00 0.11 -4.38 105.19 109.71 1imu n GLY 47 Ca 0.09 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 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 1.50 -0.22 1.61 0.40 0.52 0.74 117.98 118.54 1imu s PHE 48 Ca 0.00 -0.54 -0.04 0.00 -0.60 0.00 0.00 56.93 55.75 1imu s PHE 48 Cb 0.00 -1.09 -0.01 0.00 0.51 0.00 0.00 43.02 42.43 1imu s PHE 48 CO 0.00 -0.27 -0.04 -1.54 0.70 0.00 0.00 175.22 174.08 1imu s SER 49 N 0.59 4.39 0.15 1.36 1.04 0.87 -0.48 113.70 121.63 1imu s SER 49 Ca -0.14 -0.36 0.11 0.00 0.48 0.00 0.00 55.95 56.04 1imu s SER 49 Cb -0.15 -1.75 -0.04 0.00 0.10 0.00 0.00 66.02 64.17 1imu s SER 49 CO 0.04 -0.00 -0.26 -0.69 0.98 0.00 0.00 173.24 173.31 1imu s VAL 50 N 1.39 2.27 -0.15 5.02 1.01 0.11 0.33 120.40 130.39 1imu s VAL 50 Ca 0.05 -1.86 -0.10 0.00 0.00 0.00 0.00 61.98 60.06 1imu s VAL 50 Cb -0.14 -2.03 0.05 0.00 0.00 0.00 0.00 36.38 34.25 1imu s VAL 50 CO -0.02 -0.00 0.38 -0.70 0.00 0.00 0.00 175.10 174.76 1imu s GLU 51 N -2.31 0.38 0.23 2.72 2.12 0.83 0.31 118.70 122.99 1imu s GLU 51 Ca 0.16 0.68 0.10 0.00 0.36 0.00 0.00 54.97 56.28 1imu s GLU 51 Cb -0.09 0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.28 1imu s GLU 51 CO 0.07 -0.13 -0.12 0.00 -0.54 0.00 0.00 175.26 174.55 1imu s ALA 52 N 1.05 2.89 -0.25 6.30 0.00 0.11 0.18 121.76 132.03 1imu s ALA 52 Ca -0.07 -1.64 -0.04 0.00 0.00 0.00 0.00 51.96 50.21 1imu s ALA 52 Cb -0.07 -0.57 0.14 0.00 0.00 0.00 0.00 23.12 22.62 1imu s ALA 52 CO -0.09 0.36 0.47 -1.12 0.00 0.00 0.00 175.76 175.39 1imu s SER 53 N -3.18 -0.43 -0.12 0.00 0.01 -0.94 -0.18 113.70 108.86 1imu s SER 53 Ca 0.27 0.69 -0.02 0.00 1.31 0.00 0.00 55.95 58.20 1imu s SER 53 Cb -0.07 1.56 0.04 0.00 0.21 0.00 0.00 66.02 67.76 1imu s SER 53 CO 0.15 -0.27 0.02 -0.63 0.41 0.00 0.00 173.24 172.93 1imu s ILE 54 N 2.68 0.35 0.74 1.44 1.01 0.19 0.73 121.20 128.34 1imu s ILE 54 Ca 0.10 -0.10 -0.15 0.00 0.00 0.00 0.00 60.65 60.50 1imu s ILE 54 Cb -0.14 -0.67 0.05 0.00 0.01 0.00 0.00 42.46 41.70 1imu s ILE 54 CO -0.17 0.06 1.22 -0.83 0.00 0.00 0.00 174.94 175.22 1imu s GLY 55 N 1.96 2.36 -0.19 6.18 0.00 0.38 0.12 107.32 118.13 1imu s GLY 55 Ca 0.03 0.92 -0.21 0.00 0.00 0.00 0.00 44.72 45.46 1imu s GLY 55 CO -0.06 1.33 0.57 -0.51 0.00 0.00 0.00 173.10 174.43 1imu s THR 56 N -1.95 0.00 -0.27 0.90 -4.23 -1.23 -0.38 115.64 108.48 1imu s THR 56 Ca 0.75 -0.02 0.17 0.00 -1.18 0.00 0.00 61.69 61.40 1imu s THR 56 Cb -0.30 -0.81 0.17 0.00 1.34 0.00 0.00 72.50 72.90 1imu s THR 56 CO 0.46 -0.01 1.48 -2.65 -0.54 0.00 0.00 174.62 173.36 1imu n PRO 57 N 2.55 0.11 0.00 3.99 -0.02 -1.26 0.32 135.00 140.69 1imu n PRO 57 Ca -0.14 0.60 0.11 0.00 -2.02 0.00 0.00 63.50 62.04 1imu n PRO 57 Cb 0.56 -1.92 -0.10 0.00 -0.02 0.00 0.00 33.50 32.02 1imu n PRO 57 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1imu n LEU 58 N -2.09 0.57 0.00 2.45 4.32 -1.26 -5.02 117.00 115.96 1imu n LEU 58 Ca -0.01 -0.22 0.00 0.00 -0.02 0.00 0.00 56.01 55.76 1imu n LEU 58 Cb 0.09 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 1imu n LEU 58 CO 0.07 0.12 0.00 0.61 -1.22 0.00 0.00 177.39 176.97 1imu n GLY 59 N 1.39 4.05 3.57 -0.72 0.00 0.15 -4.89 105.19 108.75 1imu n GLY 59 Ca 0.01 -0.50 -0.50 0.00 0.00 0.00 0.00 46.02 45.02 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 2.68 -4.75 1.61 4.13 -1.25 -3.63 115.26 114.05 1imu n ASN 60 Ca 0.00 0.67 -0.41 0.00 1.68 0.00 0.00 54.58 56.52 1imu n ASN 60 Cb 0.00 -1.30 -0.04 0.00 -1.54 0.00 0.00 39.78 36.89 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 5.83 4.54 -0.01 3.41 1.43 0.33 -4.87 118.68 129.33 1imu s LEU 61 Ca 1.02 2.17 -0.15 0.00 -1.03 0.00 0.00 54.13 56.14 1imu s LEU 61 Cb -0.79 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 41.83 1imu s LEU 61 CO 0.51 -0.15 0.32 -0.76 0.23 0.00 0.00 176.35 176.51 1imu s LEU 62 N -0.98 0.82 0.17 1.79 1.43 -1.26 0.54 118.68 121.19 1imu s LEU 62 Ca 0.46 0.07 -0.21 0.00 -1.03 0.00 0.00 54.13 53.42 1imu s LEU 62 Cb -0.30 1.31 0.06 0.00 0.03 0.00 0.00 46.19 47.28 1imu s LEU 62 CO 0.38 -0.47 0.58 0.00 0.23 0.00 0.00 176.35 177.07 1imu s ALA 63 N -1.45 -1.40 -0.29 4.21 0.00 0.74 -4.64 121.76 118.94 1imu s ALA 63 Ca -0.13 0.25 -0.21 0.00 0.00 0.00 0.00 51.96 51.88 1imu s ALA 63 Cb -0.05 0.86 0.13 0.00 0.00 0.00 0.00 23.12 24.06 1imu s ALA 63 CO 0.04 -0.79 1.01 -1.54 0.00 0.00 0.00 175.76 174.48 1imu s SER 64 N -2.79 -0.47 0.09 0.00 1.04 -1.26 0.04 113.70 110.35 1imu s SER 64 Ca 0.03 0.84 -0.18 0.00 0.48 0.00 0.00 55.95 57.13 1imu s SER 64 Cb -0.01 1.00 0.04 0.00 0.10 0.00 0.00 66.02 67.15 1imu s SER 64 CO -0.09 -0.14 0.42 0.00 0.98 0.00 0.00 173.24 174.41 1imu s ALA 65 N 0.72 -1.02 -0.05 5.32 0.00 0.15 -4.93 121.76 121.95 1imu s ALA 65 Ca -0.02 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.11 1imu s ALA 65 Cb -0.04 0.56 0.01 0.00 0.00 0.00 0.00 23.12 23.64 1imu s ALA 65 CO -0.11 -0.58 -0.13 0.99 0.00 0.00 0.00 175.76 175.94 1imu s THR 66 N -3.25 1.17 0.02 0.00 2.01 -1.26 0.09 115.64 114.41 1imu s THR 66 Ca -0.01 -0.53 -0.28 0.00 0.31 0.00 0.00 61.69 61.18 1imu s THR 66 Cb 0.01 -1.04 0.10 0.00 0.01 0.00 0.00 72.50 71.57 1imu s THR 66 CO -0.08 0.35 0.88 -0.44 -0.69 0.00 0.00 174.62 174.65 1imu s SER 67 N 0.40 -0.35 0.00 3.53 0.01 0.37 -4.92 113.70 112.74 1imu s SER 67 Ca -0.10 -0.04 0.18 0.00 1.31 0.00 0.00 55.95 57.30 1imu s SER 67 Cb -0.13 0.40 1.04 0.00 0.21 0.00 0.00 66.02 67.54 1imu s SER 67 CO 0.03 -0.66 1.67 -0.67 0.41 0.00 0.00 173.24 174.02 1imu n ASP 68 N -0.27 0.01 -4.02 2.44 -0.08 -1.26 0.20 116.55 113.57 1imu n ASP 68 Ca -0.09 -1.45 -0.32 0.00 -1.51 0.00 0.00 54.79 51.42 1imu n ASP 68 Cb 0.62 -0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.94 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 -1.55 4.74 0.00 1.67 1.11 -1.26 -4.83 116.67 116.55 1imu s ASP 69 Ca 0.26 -2.40 0.00 0.00 0.18 0.00 0.00 52.55 50.60 1imu s ASP 69 Cb 0.12 -1.67 0.00 0.00 1.07 0.00 0.00 42.92 42.44 1imu s ASP 69 CO 0.20 -0.36 0.93 0.23 1.18 0.00 0.00 175.17 177.35 1imu n MET 70 N 3.96 0.00 0.30 8.23 2.81 -1.26 0.15 117.12 131.31 1imu n MET 70 Ca 0.04 0.93 0.18 0.00 -1.81 0.00 0.00 57.70 57.03 1imu n MET 70 Cb 0.39 -1.40 0.90 0.00 -0.71 0.00 0.00 33.22 32.40 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 0.36 116.97 115.43 1imu h TYR 71 Ca 0.00 0.00 -0.27 0.00 2.00 0.00 0.00 58.73 60.46 1imu h TYR 71 Cb 0.00 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.75 1imu h TYR 71 CO -0.86 0.04 -1.09 -0.22 -0.00 0.00 0.00 178.16 176.03 1imu h LYS 72 N 0.00 0.66 -0.40 4.88 3.64 -1.27 1.37 116.57 125.45 1imu h LYS 72 Ca -0.00 -0.76 -0.01 0.00 -1.27 0.00 0.00 60.65 58.61 1imu h LYS 72 Cb 0.25 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1imu h LYS 72 CO 0.01 1.33 0.22 0.00 -2.27 0.00 0.00 179.45 178.73 1imu h ALA 73 N 0.40 0.51 -0.66 5.00 0.00 0.24 1.74 119.26 126.50 1imu h ALA 73 Ca -0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1imu h ALA 73 Cb 1.75 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 1imu h ALA 73 CO 0.21 0.05 0.21 0.82 0.00 0.00 0.00 179.25 180.54 1imu h ILE 74 N 0.52 1.24 -0.95 0.00 2.04 -0.92 0.27 117.51 119.71 1imu h ILE 74 Ca 0.14 -0.83 0.07 0.00 1.00 0.00 0.00 64.86 65.23 1imu h ILE 74 Cb 0.07 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 36.59 1imu h ILE 74 CO -0.02 0.32 0.62 -1.13 0.00 0.00 0.00 178.15 177.94 1imu h ASN 75 N 0.97 0.97 0.22 1.72 -0.73 0.42 0.17 115.58 119.32 1imu h ASN 75 Ca 0.22 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.38 1imu h ASN 75 Cb 0.27 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.66 1imu h ASN 75 CO -0.01 0.62 -0.10 -0.08 -0.37 0.00 0.00 177.43 177.48 1imu h GLU 76 N 1.09 -0.28 -0.45 6.67 4.22 0.41 -2.64 114.58 123.61 1imu h GLU 76 Ca 0.41 0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.96 1imu h GLU 76 Cb 0.19 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.41 1imu h GLU 76 CO -0.16 0.10 -0.25 0.28 -2.18 0.00 0.00 179.01 176.80 1imu h VAL 77 N -0.87 0.32 -0.54 0.32 2.07 -0.16 0.63 116.25 118.02 1imu h VAL 77 Ca -0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.60 1imu h VAL 77 Cb 0.51 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1imu h VAL 77 CO 0.05 0.00 0.37 -0.08 0.02 0.00 0.00 177.57 177.93 1imu h GLU 78 N -0.16 0.24 -0.27 1.57 4.57 -0.75 0.79 114.58 120.57 1imu h GLU 78 Ca 0.21 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.26 1imu h GLU 78 Cb 0.49 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1imu h GLU 78 CO -0.54 0.16 -0.25 0.93 -1.18 0.00 0.00 179.01 178.12 1imu h GLU 79 N 0.25 0.65 -0.31 1.92 5.08 0.49 0.36 114.58 123.02 1imu h GLU 79 Ca 0.25 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1imu h GLU 79 Cb 0.67 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1imu h GLU 79 CO -0.05 0.94 -0.23 0.87 -1.00 0.00 0.00 179.01 179.54 1imu h LYS 80 N 0.39 0.70 -0.43 2.33 1.57 0.14 0.34 116.57 121.61 1imu h LYS 80 Ca 0.05 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.45 1imu h LYS 80 Cb 0.81 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1imu h LYS 80 CO 0.06 0.95 0.15 1.25 -0.57 0.00 0.00 179.45 181.29 1imu h LEU 81 N 0.46 0.61 0.36 2.94 7.12 0.54 0.28 115.31 127.62 1imu h LEU 81 Ca 0.06 -0.19 -0.02 0.00 0.13 0.00 0.00 57.88 57.86 1imu h LEU 81 Cb 0.78 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.76 1imu h LEU 81 CO 0.06 0.64 -0.17 -0.08 -0.13 0.00 0.00 178.44 178.76 1imu h GLU 82 N 0.55 -0.46 -0.61 1.25 4.81 -0.23 0.26 114.58 120.15 1imu h GLU 82 Ca 0.14 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.53 1imu h GLU 82 Cb 0.24 0.10 -0.10 0.00 0.63 0.00 0.00 28.75 29.62 1imu h GLU 82 CO -0.01 -0.14 0.01 -0.09 -0.73 0.00 0.00 179.01 178.05 1imu h ARG 83 N -0.87 0.12 -0.55 1.92 9.65 -0.32 0.41 114.38 124.74 1imu h ARG 83 Ca -0.05 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1imu h ARG 83 Cb 0.53 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.06 1imu h ARG 83 CO 0.08 0.08 0.36 1.96 2.80 0.00 0.00 179.97 185.25 1imu h GLN 84 N 0.13 0.71 -0.59 0.20 4.20 -0.40 0.82 115.11 120.17 1imu h GLN 84 Ca 0.32 -0.04 0.12 0.00 0.06 0.00 0.00 58.65 59.10 1imu h GLN 84 Cb 0.51 -0.16 -0.09 0.00 0.30 0.00 0.00 27.48 28.03 1imu h GLN 84 CO -0.51 0.47 0.05 -0.07 -0.67 0.00 0.00 178.83 178.10 1imu h LEU 85 N 0.73 -0.16 -1.07 1.46 3.38 0.32 0.68 115.31 120.66 1imu h LEU 85 Ca 0.21 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1imu h LEU 85 Cb -0.07 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1imu h LEU 85 CO -0.05 -0.06 0.56 -1.13 0.09 0.00 0.00 178.44 177.84 1imu h ASN 86 N 0.17 1.05 -0.18 -0.43 -1.24 0.50 0.18 115.58 115.63 1imu h ASN 86 Ca 0.31 -0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.27 1imu h ASN 86 Cb 0.48 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 1imu h ASN 86 CO -0.46 0.78 0.10 0.50 -1.29 0.00 0.00 177.43 177.07 1imu h LYS 87 N 1.22 0.25 0.37 6.67 3.64 0.23 0.48 116.57 129.43 1imu h LYS 87 Ca 0.32 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1imu h LYS 87 Cb -0.09 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1imu h LYS 87 CO -0.06 0.23 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.01 1imu h LEU 88 N 0.20 -0.69 -2.02 5.20 3.38 0.84 1.22 115.31 123.44 1imu h LEU 88 Ca 0.06 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.20 1imu h LEU 88 Cb 0.05 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1imu h LEU 88 CO -0.01 -0.41 0.31 1.56 0.09 0.00 0.00 178.44 179.98 1imu h GLN 89 N -0.63 0.00 0.12 1.13 4.20 -0.49 0.58 115.11 120.02 1imu h GLN 89 Ca -0.03 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.39 1imu h GLN 89 Cb 0.54 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.34 1imu h GLN 89 CO 0.01 0.00 -1.23 0.45 -0.67 0.00 0.00 178.83 177.38 1imu h HIS 90 N 0.00 0.82 -3.18 2.96 3.86 0.16 -3.47 115.15 116.30 1imu h HIS 90 Ca 0.19 -0.54 -0.54 0.00 -1.16 0.00 0.00 60.37 58.33 1imu h HIS 90 Cb 0.81 -0.06 0.21 0.00 1.06 0.00 0.00 27.41 29.43 1imu h HIS 90 CO 0.00 1.39 -0.71 1.17 0.86 0.00 0.00 177.93 180.64 1imu n LYS 91 N -3.71 -0.14 -0.97 2.45 3.00 0.40 -4.75 118.16 114.44 1imu n LYS 91 Ca -0.12 -0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.31 1imu n LYS 91 Cb 0.99 -1.73 -0.06 0.00 0.00 0.00 0.00 35.03 34.23 1imu n LYS 91 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1imu n SER 92 N -0.46 -5.50 -0.05 3.14 7.64 -1.26 -4.81 113.62 112.31 1imu n SER 92 Ca 0.06 0.88 -0.22 0.00 1.01 0.00 0.00 58.87 60.60 1imu n SER 92 Cb 0.53 -3.28 -0.13 0.00 -1.01 0.00 0.00 64.21 60.33 1imu n SER 92 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1imu n GLU 93 N -3.64 0.66 -2.02 1.43 1.02 -1.26 -4.77 120.64 112.06 1imu n GLU 93 Ca -0.05 0.43 -0.39 0.00 -0.02 0.00 0.00 57.16 57.13 1imu n GLU 93 Cb 0.46 -1.73 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 1imu n GLU 93 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1imu s SER 94 N -6.95 5.32 -0.30 1.62 0.01 -1.26 -4.81 113.70 107.33 1imu s SER 94 Ca -0.26 0.50 0.08 0.00 1.31 0.00 0.00 55.95 57.58 1imu s SER 94 Cb 0.06 -2.53 0.46 0.00 0.21 0.00 0.00 66.02 64.22 1imu s SER 94 CO 0.67 -2.31 1.30 -1.14 0.41 0.00 0.00 173.24 172.18 1imu n ARG 95 N 9.07 2.80 -4.45 12.44 0.63 -1.26 -5.03 116.66 130.86 1imu n ARG 95 Ca 0.21 -3.76 -0.22 0.00 -0.92 0.00 0.00 57.85 53.17 1imu n ARG 95 Cb 0.51 -2.05 -0.11 0.00 0.45 0.00 0.00 32.46 31.27 1imu n ARG 95 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1imu s ARG 96 N -3.48 1.62 0.02 -0.14 0.52 -1.26 -5.03 118.95 111.21 1imu s ARG 96 Ca 0.48 -1.87 0.00 0.00 -0.52 0.00 0.00 55.73 53.82 1imu s ARG 96 Cb 0.41 -1.00 0.00 0.00 0.52 0.00 0.00 34.95 34.88 1imu s ARG 96 CO 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 175.30 175.22 1imu n ALA 97 N -0.66 -2.04 -3.30 2.13 0.00 -1.26 -5.05 120.51 110.33 1imu n ALA 97 Ca -0.04 0.48 -0.09 0.00 0.00 0.00 0.00 53.44 53.80 1imu n ALA 97 Cb 0.65 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 1imu n ALA 97 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1imu s ASP 98 N -0.59 0.36 -0.01 0.00 -4.77 -1.26 -5.06 116.67 105.34 1imu s ASP 98 Ca 0.00 -0.36 -0.02 0.00 -3.30 0.00 0.00 52.55 48.87 1imu s ASP 98 Cb 0.00 1.12 0.01 0.00 -1.09 0.00 0.00 42.92 42.95 1imu s ASP 98 CO 0.00 -0.35 0.03 -0.62 0.70 0.00 0.00 175.17 174.93 1imu n GLU 99 N 5.35 -5.16 -2.54 2.11 1.02 -1.26 -5.00 120.64 115.17 1imu n GLU 99 Ca 0.01 3.75 -0.26 0.00 -0.02 0.00 0.00 57.16 60.64 1imu n GLU 99 Cb 0.49 -4.80 0.02 0.00 -0.02 0.00 0.00 31.44 27.13 1imu n GLU 99 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1imu s ARG 100 N -0.63 3.06 -0.49 3.49 1.70 -1.26 -5.00 118.95 119.82 1imu s ARG 100 Ca -0.04 -0.05 -0.28 0.00 -0.47 0.00 0.00 55.73 54.89 1imu s ARG 100 Cb 0.00 -2.34 0.00 0.00 -0.57 0.00 0.00 34.95 32.04 1imu s ARG 100 CO 0.11 -0.53 1.55 -0.51 -1.08 0.00 0.00 175.30 174.84 1imu s LEU 101 N -4.87 3.45 0.15 -1.89 2.01 -1.26 -4.95 118.68 111.32 1imu s LEU 101 Ca 0.52 0.62 -0.14 0.00 0.01 0.00 0.00 54.13 55.13 1imu s LEU 101 Cb -0.10 -3.19 0.02 0.00 0.01 0.00 0.00 46.19 42.93 1imu s LEU 101 CO 0.44 -1.74 0.39 -0.75 1.01 0.00 0.00 176.35 175.70 1imu s LYS 102 N 5.62 1.14 0.28 1.70 2.47 -1.26 -5.18 119.74 124.50 1imu s LYS 102 Ca 0.62 -0.85 0.02 0.00 -1.56 0.00 0.00 55.97 54.20 1imu s LYS 102 Cb -0.14 0.45 0.05 0.00 -1.46 0.00 0.00 37.83 36.73 1imu s LYS 102 CO 0.28 -0.44 0.38 -0.25 0.16 0.00 0.00 175.35 175.47 1imu n ASP 103 N -0.23 0.77 -4.08 1.43 8.00 -1.26 -5.15 116.55 116.04 1imu n ASP 103 Ca -0.13 -1.59 -0.12 0.00 0.71 0.00 0.00 54.79 53.67 1imu n ASP 103 Cb 0.63 -0.22 -0.08 0.00 -0.02 0.00 0.00 41.12 41.43 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 -2.63 0.17 0.51 -2.24 1.04 -1.26 -5.17 113.70 104.13 1imu s SER 104 Ca 0.27 -1.28 -0.07 0.00 0.48 0.00 0.00 55.95 55.35 1imu s SER 104 Cb -0.02 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1imu s SER 104 CO 0.18 -0.95 0.86 -0.36 0.98 0.00 0.00 173.24 173.94 1imu s PHE 105 N -4.05 3.57 -0.17 5.02 0.08 -1.26 -5.08 117.98 116.09 1imu s PHE 105 Ca 0.34 0.97 -0.05 0.00 0.12 0.00 0.00 56.93 58.32 1imu s PHE 105 Cb 0.04 -2.44 0.06 0.00 -0.57 0.00 0.00 43.02 40.12 1imu s PHE 105 CO 0.12 -0.38 0.08 -1.21 -0.10 0.00 0.00 175.22 173.73 1imu s GLU 106 N -4.79 0.13 0.00 0.44 0.41 -1.26 -5.36 118.70 108.27 1imu s GLU 106 Ca 0.50 -0.11 0.00 0.00 -0.41 0.00 0.00 54.97 54.95 1imu s GLU 106 Cb -0.10 -1.84 0.00 0.00 -1.78 0.00 0.00 34.13 30.41 1imu s GLU 106 CO 0.46 -0.66 0.30 -1.71 -0.49 0.00 0.00 175.26 173.16