#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 1.03 0.09 3.17 -4.23 -1.26 -4.99 115.64 109.45 1imu s THR 2 Ca 0.00 -0.76 -0.31 0.00 -1.18 0.00 0.00 61.69 59.44 1imu s THR 2 Cb 0.00 -1.34 -0.10 0.00 1.34 0.00 0.00 72.50 72.41 1imu s THR 2 CO 0.00 -0.04 1.84 -0.22 -0.54 0.00 0.00 174.62 175.66 1imu s LEU 3 N 1.64 4.40 0.06 4.79 1.98 -1.26 -3.85 118.68 126.45 1imu s LEU 3 Ca -0.02 2.70 -0.02 0.00 -2.89 0.00 0.00 54.13 53.91 1imu s LEU 3 Cb -0.17 -3.56 -0.04 0.00 0.66 0.00 0.00 46.19 43.09 1imu s LEU 3 CO -0.07 -1.00 -0.00 0.21 -1.89 0.00 0.00 176.35 173.59 1imu s ASN 4 N 3.10 0.44 0.41 3.68 2.47 0.30 -5.02 114.94 120.32 1imu s ASN 4 Ca 0.82 -1.01 0.04 0.00 0.42 0.00 0.00 52.86 53.13 1imu s ASN 4 Cb -0.44 0.22 -0.04 0.00 -1.45 0.00 0.00 41.25 39.54 1imu s ASN 4 CO 0.37 -0.63 0.05 0.27 -3.72 0.00 0.00 177.10 173.44 1imu s ILE 5 N -3.93 1.20 -0.23 -5.21 -0.00 -1.26 -0.60 121.20 111.16 1imu s ILE 5 Ca 0.09 -2.00 0.09 0.00 -0.00 0.00 0.00 60.65 58.83 1imu s ILE 5 Cb 0.08 -2.55 0.28 0.00 -0.00 0.00 0.00 42.46 40.26 1imu s ILE 5 CO -0.08 0.00 1.28 0.41 -0.00 0.00 0.00 174.94 176.55 1imu n THR 6 N -0.96 0.00 -1.48 8.37 -1.04 -0.82 -4.76 114.28 113.60 1imu n THR 6 Ca -0.08 -0.67 -0.52 0.00 -2.04 0.00 0.00 64.05 60.73 1imu n THR 6 Cb 0.66 0.82 -0.07 0.00 -1.82 0.00 0.00 70.33 69.92 1imu n THR 6 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1imu n SER 7 N -1.05 2.12 -0.27 8.00 7.64 -1.26 -4.58 113.62 124.23 1imu n SER 7 Ca -0.17 0.56 -0.03 0.00 1.01 0.00 0.00 58.87 60.24 1imu n SER 7 Cb 0.78 -1.22 0.13 0.00 -1.01 0.00 0.00 64.21 62.90 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 11.18 1.12 0.00 1.43 2.10 -1.93 -3.44 116.57 127.04 1imu h LYS 8 Ca -0.30 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1imu h LYS 8 Cb 1.33 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1imu h LYS 8 CO 1.01 0.85 0.00 0.00 -2.00 0.00 0.00 179.45 179.31 1imu n GLN 9 N -4.33 0.00 -1.57 0.07 10.64 -1.26 -5.00 117.38 115.92 1imu n GLN 9 Ca 0.08 0.00 -0.50 0.00 -1.83 0.00 0.00 57.00 54.75 1imu n GLN 9 Cb 0.12 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.45 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 -0.03 1.57 -0.20 2.61 0.00 -1.26 -4.93 117.12 114.88 1imu n MET 10 Ca 0.00 0.51 -0.23 0.00 0.00 0.00 0.00 57.70 57.97 1imu n MET 10 Cb 0.00 -2.58 0.22 0.00 0.00 0.00 0.00 33.22 30.86 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 8.54 -3.66 -4.86 3.17 9.92 -1.26 -4.73 116.55 123.66 1imu n ASP 11 Ca 0.32 -0.67 -0.30 0.00 -0.53 0.00 0.00 54.79 53.61 1imu n ASP 11 Cb 0.27 -0.78 -0.05 0.00 -0.64 0.00 0.00 41.12 39.92 1imu n ASP 11 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1imu s ILE 12 N -1.87 5.00 0.24 0.53 -0.00 -1.26 -5.02 121.20 118.83 1imu s ILE 12 Ca 0.51 -0.60 -0.03 0.00 -0.00 0.00 0.00 60.65 60.53 1imu s ILE 12 Cb -0.09 -3.45 -0.03 0.00 -0.00 0.00 0.00 42.46 38.89 1imu s ILE 12 CO 0.43 0.10 0.25 0.42 -0.00 0.00 0.00 174.94 176.14 1imu s THR 13 N -1.50 0.00 0.32 8.37 -4.23 -1.26 -4.96 115.64 112.38 1imu s THR 13 Ca 0.33 -1.84 0.08 0.00 -1.18 0.00 0.00 61.69 59.08 1imu s THR 13 Cb -0.12 -2.45 0.36 0.00 1.34 0.00 0.00 72.50 71.63 1imu s THR 13 CO 0.25 0.00 1.61 -0.65 -0.54 0.00 0.00 174.62 175.29 1imu h PRO 14 N 2.44 0.10 0.00 3.99 0.11 -2.00 0.22 132.00 136.86 1imu h PRO 14 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1imu h PRO 14 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1imu h PRO 14 CO 0.46 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.31 1imu n ALA 15 N -2.69 0.00 -0.04 -0.75 0.00 -1.26 0.10 120.51 115.87 1imu n ALA 15 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.61 1imu n ALA 15 Cb 0.90 0.04 -0.05 0.00 0.00 0.00 0.00 19.45 20.35 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 0.17 -0.96 0.00 -2.65 -1.95 0.42 117.51 112.55 1imu h ILE 16 Ca 0.00 0.00 0.12 0.00 1.03 0.00 0.00 64.86 66.01 1imu h ILE 16 Cb 0.00 0.17 -0.13 0.00 -2.05 0.00 0.00 36.82 34.81 1imu h ILE 16 CO 0.00 0.00 -0.50 -0.09 0.03 0.00 0.00 178.15 177.59 1imu h ARG 17 N -0.42 -0.02 -0.86 0.16 2.43 -0.64 1.31 114.38 116.34 1imu h ARG 17 Ca 0.10 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1imu h ARG 17 Cb 0.59 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 1imu h ARG 17 CO -0.44 -0.02 0.51 1.49 -1.51 0.00 0.00 179.97 180.00 1imu h GLU 18 N -0.03 1.17 0.53 0.20 4.81 0.55 0.19 114.58 122.01 1imu h GLU 18 Ca 0.24 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1imu h GLU 18 Cb 0.50 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 29.64 1imu h GLU 18 CO -0.94 0.83 -0.26 1.25 -0.73 0.00 0.00 179.01 179.17 1imu h HIS 19 N 1.19 -0.66 -0.65 0.92 2.76 0.53 0.89 115.15 120.13 1imu h HIS 19 Ca 0.31 -0.02 0.14 0.00 -2.20 0.00 0.00 60.37 58.60 1imu h HIS 19 Cb -0.03 0.22 -0.11 0.00 1.55 0.00 0.00 27.41 29.03 1imu h HIS 19 CO 0.01 -0.41 -0.03 -0.07 -1.30 0.00 0.00 177.93 176.12 1imu h LEU 20 N -0.72 -0.35 0.13 0.26 3.38 0.13 0.82 115.31 118.97 1imu h LEU 20 Ca -0.07 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1imu h LEU 20 Cb 0.55 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1imu h LEU 20 CO 0.12 -0.15 -0.06 -0.33 0.09 0.00 0.00 178.44 178.11 1imu h GLU 21 N 0.09 -0.17 -0.22 1.13 5.08 -0.53 0.18 114.58 120.15 1imu h GLU 21 Ca 0.34 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.74 1imu h GLU 21 Cb 0.55 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1imu h GLU 21 CO -0.58 -0.00 0.02 0.93 -1.00 0.00 0.00 179.01 178.37 1imu h GLU 22 N -0.31 0.09 -0.46 2.33 4.39 0.20 0.42 114.58 121.23 1imu h GLU 22 Ca -0.02 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.71 1imu h GLU 22 Cb 0.25 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 1imu h GLU 22 CO 0.03 0.06 0.25 0.00 -1.16 0.00 0.00 179.01 178.19 1imu h ARG 23 N 0.09 0.48 0.05 2.33 2.47 0.73 0.26 114.38 120.80 1imu h ARG 23 Ca 0.10 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1imu h ARG 23 Cb 0.11 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1imu h ARG 23 CO -0.15 0.32 -0.02 1.25 0.56 0.00 0.00 179.97 181.92 1imu h LEU 24 N 0.50 -0.06 -1.59 3.04 5.85 -0.08 0.37 115.31 123.34 1imu h LEU 24 Ca 0.20 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.93 1imu h LEU 24 Cb 0.08 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1imu h LEU 24 CO -0.12 0.05 0.43 0.00 -0.34 0.00 0.00 178.44 178.47 1imu h ALA 25 N 0.79 2.00 -0.03 1.25 0.00 0.21 0.30 119.26 123.77 1imu h ALA 25 Ca -0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1imu h ALA 25 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1imu h ALA 25 CO 0.01 -0.14 -0.80 -0.22 0.00 0.00 0.00 179.25 178.10 1imu h LYS 26 N 0.45 0.30 0.00 0.00 1.63 0.22 -2.90 116.57 116.28 1imu h LYS 26 Ca 0.30 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1imu h LYS 26 Cb 0.57 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1imu h LYS 26 CO -0.09 0.95 0.00 1.28 -3.45 0.00 0.00 179.45 178.14 1imu n LEU 27 N -3.76 0.00 -0.05 5.20 4.77 0.12 -3.37 117.00 119.92 1imu n LEU 27 Ca -0.04 0.49 -0.04 0.00 -0.03 0.00 0.00 56.01 56.39 1imu n LEU 27 Cb 0.75 -0.49 0.19 0.00 -2.33 0.00 0.00 43.42 41.54 1imu n LEU 27 CO 0.48 -0.03 0.82 1.23 -1.33 0.00 0.00 177.39 178.56 1imu h GLY 28 N 4.71 0.69 1.76 -0.72 0.00 -0.34 -2.09 103.07 107.08 1imu h GLY 28 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1imu h GLY 28 CO 0.00 0.46 0.00 0.58 0.00 0.00 0.00 176.54 177.58 1imu n LYS 29 N -4.18 0.17 -0.96 4.80 -0.00 -1.22 -4.29 118.16 112.48 1imu n LYS 29 Ca 0.01 0.12 -0.29 0.00 -0.00 0.00 0.00 58.31 58.15 1imu n LYS 29 Cb 0.34 -1.50 -0.02 0.00 -0.00 0.00 0.00 35.03 33.85 1imu n LYS 29 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1imu n TRP 30 N -1.38 1.77 -2.72 5.58 7.02 -0.79 -4.68 117.44 122.23 1imu n TRP 30 Ca 0.08 -2.34 -0.00 0.00 -1.02 0.00 0.00 57.50 54.22 1imu n TRP 30 Cb 0.20 -1.95 -0.00 0.00 -2.42 0.00 0.00 31.31 27.14 1imu n TRP 30 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1imu n GLN 31 N 4.17 -1.01 -4.00 -0.99 0.00 -1.26 -4.80 117.38 109.49 1imu n GLN 31 Ca 0.56 -0.08 -0.09 0.00 0.00 0.00 0.00 57.00 57.38 1imu n GLN 31 Cb 0.18 0.11 -0.08 0.00 0.00 0.00 0.00 30.24 30.45 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 -3.34 0.08 -0.44 -0.39 2.01 -1.26 -5.03 115.64 107.27 1imu s THR 32 Ca 0.00 -1.51 0.02 0.00 0.31 0.00 0.00 61.69 60.51 1imu s THR 32 Cb -0.00 -1.86 0.13 0.00 0.01 0.00 0.00 72.50 70.78 1imu s THR 32 CO 0.01 -0.36 0.22 0.00 -0.69 0.00 0.00 174.62 173.80 1imu s GLN 33 N -3.98 1.38 -0.76 4.92 0.00 -1.26 -4.86 119.66 115.09 1imu s GLN 33 Ca 0.18 -2.04 -0.24 0.00 -0.00 0.00 0.00 55.36 53.26 1imu s GLN 33 Cb 0.04 -2.53 -0.16 0.00 0.00 0.00 0.00 33.01 30.36 1imu s GLN 33 CO -0.00 -1.13 2.41 1.28 0.00 0.00 0.00 175.29 177.84 1imu n LEU 34 N 3.59 1.22 -0.08 2.60 4.77 -1.26 -4.41 117.00 123.43 1imu n LEU 34 Ca 0.07 -0.87 0.19 0.00 -0.03 0.00 0.00 56.01 55.37 1imu n LEU 34 Cb 0.35 -1.37 0.63 0.00 -2.33 0.00 0.00 43.42 40.70 1imu n LEU 34 CO 0.25 -1.92 1.20 0.40 -1.33 0.00 0.00 177.39 175.99 1imu h ILE 35 N 7.62 0.73 -0.26 -0.08 2.04 -0.21 -3.16 117.51 124.18 1imu h ILE 35 Ca -0.07 -0.05 0.17 0.00 1.00 0.00 0.00 64.86 65.91 1imu h ILE 35 Cb 1.13 0.57 -0.18 0.00 -0.74 0.00 0.00 36.82 37.60 1imu h ILE 35 CO 1.20 0.03 -0.07 -0.55 0.00 0.00 0.00 178.15 178.75 1imu s SER 36 N -6.05 -0.42 -0.45 1.72 0.15 -1.25 -4.68 113.70 102.73 1imu s SER 36 Ca -0.06 -0.07 -0.23 0.00 0.70 0.00 0.00 55.95 56.29 1imu s SER 36 Cb 0.20 0.91 0.03 0.00 -1.71 0.00 0.00 66.02 65.45 1imu s SER 36 CO 0.75 -0.06 0.79 -2.16 1.20 0.00 0.00 173.24 173.76 1imu s PRO 37 N 2.48 3.42 0.41 5.44 0.04 -1.25 -1.59 135.00 143.96 1imu s PRO 37 Ca 0.21 -0.08 0.07 0.00 0.04 0.00 0.00 61.00 61.25 1imu s PRO 37 Cb 0.00 -3.93 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 1imu s PRO 37 CO -0.19 -1.11 0.23 -1.01 0.04 0.00 0.00 177.00 174.96 1imu s HIS 38 N 3.30 2.63 -0.26 0.56 3.76 0.34 -0.54 115.29 125.07 1imu s HIS 38 Ca 0.30 -0.57 -0.01 0.00 -0.15 0.00 0.00 55.06 54.64 1imu s HIS 38 Cb -0.12 -2.01 0.15 0.00 1.11 0.00 0.00 32.58 31.71 1imu s HIS 38 CO 0.23 0.11 0.42 -0.06 -0.85 0.00 0.00 174.74 174.58 1imu s PHE 39 N -2.57 -0.99 -0.93 1.40 0.40 0.23 -2.08 117.98 113.44 1imu s PHE 39 Ca 0.43 0.77 -0.19 0.00 -0.60 0.00 0.00 56.93 57.34 1imu s PHE 39 Cb 0.02 0.03 0.13 0.00 0.51 0.00 0.00 43.02 43.71 1imu s PHE 39 CO 0.24 -0.83 1.14 0.08 0.70 0.00 0.00 175.22 176.55 1imu s VAL 40 N 2.58 4.69 -0.01 -0.44 1.01 0.49 -1.94 120.40 126.79 1imu s VAL 40 Ca 0.13 -1.54 -0.20 0.00 0.00 0.00 0.00 61.98 60.37 1imu s VAL 40 Cb -0.14 -4.79 -0.05 0.00 0.00 0.00 0.00 36.38 31.39 1imu s VAL 40 CO -0.21 -1.53 0.56 -0.22 0.00 0.00 0.00 175.10 173.70 1imu s LEU 41 N 2.79 4.42 0.14 3.92 2.96 -1.26 -0.04 118.68 131.61 1imu s LEU 41 Ca 0.33 1.12 -0.13 0.00 -0.22 0.00 0.00 54.13 55.24 1imu s LEU 41 Cb -0.05 -2.86 0.01 0.00 0.50 0.00 0.00 46.19 43.79 1imu s LEU 41 CO -0.10 0.13 0.35 0.20 -1.32 0.00 0.00 176.35 175.62 1imu s ASN 42 N -0.30 -0.09 0.27 3.68 0.01 0.14 -3.46 114.94 115.20 1imu s ASN 42 Ca 0.30 -0.58 0.03 0.00 -0.71 0.00 0.00 52.86 51.90 1imu s ASN 42 Cb -0.18 0.46 -0.06 0.00 0.41 0.00 0.00 41.25 41.88 1imu s ASN 42 CO 0.16 -0.88 0.03 -0.75 -1.51 0.00 0.00 177.10 174.15 1imu s LYS 43 N -3.88 1.48 0.09 -0.60 2.20 -1.25 -0.37 119.74 117.41 1imu s LYS 43 Ca 0.09 -1.79 -0.25 0.00 -0.36 0.00 0.00 55.97 53.66 1imu s LYS 43 Cb 0.02 -0.69 0.08 0.00 -1.51 0.00 0.00 37.83 35.73 1imu s LYS 43 CO -0.06 -0.15 0.67 0.14 -0.36 0.00 0.00 175.35 175.58 1imu s VAL 44 N -3.40 0.00 0.29 4.02 -7.23 0.33 -4.65 120.40 109.75 1imu s VAL 44 Ca 0.33 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.53 1imu s VAL 44 Cb 0.07 -1.00 0.28 0.00 0.56 0.00 0.00 36.38 36.29 1imu s VAL 44 CO 0.12 0.00 1.78 1.55 -0.31 0.00 0.00 175.10 178.24 1imu h PRO 45 N 2.17 0.72 -0.02 4.82 0.13 -2.02 0.28 132.00 138.08 1imu h PRO 45 Ca -0.31 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1imu h PRO 45 Cb 1.27 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1imu h PRO 45 CO 0.37 0.48 0.00 0.09 -0.23 0.00 0.00 178.00 178.71 1imu n ASN 46 N -4.79 0.21 0.00 1.44 3.02 -1.26 -4.98 115.26 108.90 1imu n ASN 46 Ca 0.21 -1.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 1imu n ASN 46 Cb 0.50 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1imu n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1imu n GLY 47 N 0.81 0.33 3.15 7.41 0.00 0.98 -4.51 105.19 113.35 1imu n GLY 47 Ca 0.13 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.81 2.09 -0.19 1.61 0.08 0.48 0.12 117.98 118.36 1imu s PHE 48 Ca 0.00 -0.79 -0.02 0.00 0.12 0.00 0.00 56.93 56.23 1imu s PHE 48 Cb 0.00 -1.43 -0.01 0.00 -0.57 0.00 0.00 43.02 41.02 1imu s PHE 48 CO 0.00 -0.33 -0.08 -1.54 -0.10 0.00 0.00 175.22 173.17 1imu s SER 49 N 0.38 4.08 0.16 1.36 1.04 0.50 -0.47 113.70 120.74 1imu s SER 49 Ca -0.15 -0.41 0.10 0.00 0.48 0.00 0.00 55.95 55.97 1imu s SER 49 Cb -0.16 -1.68 -0.04 0.00 0.10 0.00 0.00 66.02 64.24 1imu s SER 49 CO 0.06 0.03 -0.22 -0.69 0.98 0.00 0.00 173.24 173.40 1imu s VAL 50 N 1.18 2.06 -0.15 5.02 1.01 0.95 0.27 120.40 130.74 1imu s VAL 50 Ca 0.02 -1.86 -0.12 0.00 0.00 0.00 0.00 61.98 60.02 1imu s VAL 50 Cb -0.14 -1.91 0.04 0.00 0.00 0.00 0.00 36.38 34.37 1imu s VAL 50 CO -0.03 -0.13 0.39 -0.70 0.00 0.00 0.00 175.10 174.63 1imu s GLU 51 N -2.46 0.42 0.21 2.72 2.12 0.94 0.19 118.70 122.84 1imu s GLU 51 Ca 0.15 0.62 0.11 0.00 0.36 0.00 0.00 54.97 56.22 1imu s GLU 51 Cb -0.08 0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.39 1imu s GLU 51 CO 0.07 -0.09 -0.23 0.00 -0.54 0.00 0.00 175.26 174.47 1imu s ALA 52 N 0.65 2.56 -0.27 6.30 0.00 0.10 0.18 121.76 131.29 1imu s ALA 52 Ca -0.04 -1.69 -0.00 0.00 0.00 0.00 0.00 51.96 50.23 1imu s ALA 52 Cb -0.05 -0.31 0.15 0.00 0.00 0.00 0.00 23.12 22.92 1imu s ALA 52 CO -0.04 0.39 0.42 -1.12 0.00 0.00 0.00 175.76 175.40 1imu s SER 53 N -2.86 0.08 -0.19 0.00 0.01 -0.88 -0.07 113.70 109.78 1imu s SER 53 Ca 0.23 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.53 1imu s SER 53 Cb -0.07 1.24 0.05 0.00 0.21 0.00 0.00 66.02 67.45 1imu s SER 53 CO 0.11 -0.32 -0.07 -0.63 0.41 0.00 0.00 173.24 172.74 1imu s ILE 54 N 2.58 1.36 0.41 1.44 1.01 0.23 0.13 121.20 128.36 1imu s ILE 54 Ca 0.12 -0.87 -0.26 0.00 0.00 0.00 0.00 60.65 59.63 1imu s ILE 54 Cb -0.14 -1.53 -0.09 0.00 0.01 0.00 0.00 42.46 40.71 1imu s ILE 54 CO -0.22 0.09 1.36 -0.83 0.00 0.00 0.00 174.94 175.33 1imu s GLY 55 N 1.51 2.93 -0.03 6.18 0.00 -0.62 0.15 107.32 117.44 1imu s GLY 55 Ca -0.01 1.34 -0.03 0.00 0.00 0.00 0.00 44.72 46.02 1imu s GLY 55 CO -0.08 1.95 0.08 -0.51 0.00 0.00 0.00 173.10 174.54 1imu s THR 56 N -1.22 -0.01 -0.03 0.90 -4.23 -1.22 0.57 115.64 110.41 1imu s THR 56 Ca 0.57 0.03 0.16 0.00 -1.18 0.00 0.00 61.69 61.26 1imu s THR 56 Cb -0.41 -0.13 0.16 0.00 1.34 0.00 0.00 72.50 73.46 1imu s THR 56 CO 0.53 0.01 1.42 -2.65 -0.54 0.00 0.00 174.62 173.39 1imu n PRO 57 N 3.21 0.11 -0.02 3.99 -0.02 -1.26 0.24 135.00 141.24 1imu n PRO 57 Ca -0.14 0.59 0.04 0.00 -2.02 0.00 0.00 63.50 61.97 1imu n PRO 57 Cb 0.58 -2.07 -0.14 0.00 -0.02 0.00 0.00 33.50 31.85 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 -2.13 0.16 0.00 2.45 7.99 -1.26 -5.02 117.00 119.19 1imu n LEU 58 Ca -0.01 0.07 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 1imu n LEU 58 Cb 0.24 0.15 0.00 0.00 -0.11 0.00 0.00 43.42 43.70 1imu n LEU 58 CO 0.07 0.15 0.00 0.61 -1.51 0.00 0.00 177.39 176.71 1imu n GLY 59 N 1.41 3.13 3.55 -0.72 0.00 0.14 -4.95 105.19 107.75 1imu n GLY 59 Ca -0.13 0.01 -0.47 0.00 0.00 0.00 0.00 46.02 45.44 1imu n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1imu n ASN 60 N 0.00 2.85 -4.76 1.61 4.13 -1.25 -3.40 115.26 114.43 1imu n ASN 60 Ca 0.00 0.42 -0.40 0.00 1.68 0.00 0.00 54.58 56.27 1imu n ASN 60 Cb 0.00 -1.41 -0.03 0.00 -1.54 0.00 0.00 39.78 36.80 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 7.20 4.50 0.01 3.41 1.43 0.40 -4.85 118.68 130.79 1imu s LEU 61 Ca 1.03 2.45 -0.14 0.00 -1.03 0.00 0.00 54.13 56.43 1imu s LEU 61 Cb -0.60 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.00 1imu s LEU 61 CO 0.44 -0.31 0.31 -0.76 0.23 0.00 0.00 176.35 176.26 1imu s LEU 62 N -1.59 0.86 0.16 1.79 1.43 -1.26 0.76 118.68 120.83 1imu s LEU 62 Ca 0.46 -0.01 -0.24 0.00 -1.03 0.00 0.00 54.13 53.32 1imu s LEU 62 Cb -0.35 1.30 0.06 0.00 0.03 0.00 0.00 46.19 47.23 1imu s LEU 62 CO 0.46 -0.50 0.73 0.00 0.23 0.00 0.00 176.35 177.26 1imu s ALA 63 N -1.74 -1.55 -0.29 4.21 0.00 0.90 -4.60 121.76 118.69 1imu s ALA 63 Ca -0.11 0.33 -0.23 0.00 0.00 0.00 0.00 51.96 51.95 1imu s ALA 63 Cb -0.04 0.76 0.14 0.00 0.00 0.00 0.00 23.12 23.99 1imu s ALA 63 CO 0.02 -0.86 1.10 -1.54 0.00 0.00 0.00 175.76 174.48 1imu s SER 64 N -2.77 -0.38 0.07 0.00 1.04 -1.26 0.01 113.70 110.42 1imu s SER 64 Ca 0.06 0.70 -0.21 0.00 0.48 0.00 0.00 55.95 56.98 1imu s SER 64 Cb -0.02 0.80 0.05 0.00 0.10 0.00 0.00 66.02 66.94 1imu s SER 64 CO -0.05 -0.12 0.49 0.00 0.98 0.00 0.00 173.24 174.54 1imu s ALA 65 N 0.41 -1.24 -0.06 5.32 0.00 0.13 -4.90 121.76 121.41 1imu s ALA 65 Ca 0.02 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.42 1imu s ALA 65 Cb -0.05 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.58 1imu s ALA 65 CO -0.10 -0.56 -0.12 0.99 0.00 0.00 0.00 175.76 175.98 1imu s THR 66 N -2.86 1.09 0.09 0.00 2.01 -1.26 -0.04 115.64 114.68 1imu s THR 66 Ca -0.03 -0.45 -0.26 0.00 0.31 0.00 0.00 61.69 61.26 1imu s THR 66 Cb -0.00 -1.01 0.08 0.00 0.01 0.00 0.00 72.50 71.58 1imu s THR 66 CO -0.05 0.35 0.85 -0.44 -0.69 0.00 0.00 174.62 174.64 1imu s SER 67 N 0.69 -0.33 0.00 3.53 0.01 0.38 -4.92 113.70 113.06 1imu s SER 67 Ca -0.14 -0.17 0.18 0.00 1.31 0.00 0.00 55.95 57.13 1imu s SER 67 Cb -0.16 0.48 0.99 0.00 0.21 0.00 0.00 66.02 67.55 1imu s SER 67 CO 0.03 -0.82 1.65 -0.67 0.41 0.00 0.00 173.24 173.85 1imu n ASP 68 N -0.35 0.28 -4.03 2.44 2.03 -1.26 0.18 116.55 115.84 1imu n ASP 68 Ca -0.09 -1.50 -0.32 0.00 0.52 0.00 0.00 54.79 53.40 1imu n ASP 68 Cb 0.62 -0.02 -0.14 0.00 -0.72 0.00 0.00 41.12 40.86 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 -1.55 4.80 0.00 1.67 1.11 -1.26 -4.85 116.67 116.59 1imu s ASP 69 Ca 0.27 -2.40 0.00 0.00 0.18 0.00 0.00 52.55 50.60 1imu s ASP 69 Cb 0.13 -1.69 0.00 0.00 1.07 0.00 0.00 42.92 42.43 1imu s ASP 69 CO 0.21 -0.38 0.93 0.23 1.18 0.00 0.00 175.17 177.35 1imu n MET 70 N 3.98 0.00 0.28 8.23 2.81 -1.26 0.15 117.12 131.31 1imu n MET 70 Ca 0.03 0.93 0.16 0.00 -1.81 0.00 0.00 57.70 57.01 1imu n MET 70 Cb 0.39 -1.41 0.84 0.00 -0.71 0.00 0.00 33.22 32.33 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 -0.04 2.03 -1.99 -1.97 -0.12 116.97 114.88 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 0.06 -0.92 -0.22 -0.00 0.00 0.00 178.16 176.23 1imu h LYS 72 N 0.00 0.59 -0.19 4.88 3.64 -1.34 1.42 116.57 125.57 1imu h LYS 72 Ca -0.00 -0.59 -0.01 0.00 -1.27 0.00 0.00 60.65 58.79 1imu h LYS 72 Cb 0.29 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1imu h LYS 72 CO 0.01 1.20 0.09 0.00 -2.27 0.00 0.00 179.45 178.48 1imu h ALA 73 N 0.61 0.24 -0.56 5.00 0.00 0.25 1.66 119.26 126.46 1imu h ALA 73 Ca -0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1imu h ALA 73 Cb 1.56 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1imu h ALA 73 CO 0.17 -0.19 0.19 0.82 0.00 0.00 0.00 179.25 180.24 1imu h ILE 74 N 0.17 1.21 -0.93 0.00 2.04 -1.00 0.24 117.51 119.25 1imu h ILE 74 Ca 0.06 -0.70 0.05 0.00 1.00 0.00 0.00 64.86 65.27 1imu h ILE 74 Cb 0.13 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 1imu h ILE 74 CO -0.01 0.27 0.60 -1.13 0.00 0.00 0.00 178.15 177.88 1imu h ASN 75 N 0.81 0.97 0.24 1.72 -0.73 0.39 0.23 115.58 119.20 1imu h ASN 75 Ca 0.19 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.35 1imu h ASN 75 Cb 0.21 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.60 1imu h ASN 75 CO -0.01 0.64 -0.11 -0.08 -0.37 0.00 0.00 177.43 177.50 1imu h GLU 76 N 1.12 -0.31 -0.45 6.67 4.22 0.41 -2.38 114.58 123.87 1imu h GLU 76 Ca 0.39 0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.94 1imu h GLU 76 Cb 0.09 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.31 1imu h GLU 76 CO -0.15 0.07 -0.21 0.28 -2.18 0.00 0.00 179.01 176.82 1imu h VAL 77 N -0.82 0.38 -0.42 0.32 2.07 -0.28 0.66 116.25 118.16 1imu h VAL 77 Ca -0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.58 1imu h VAL 77 Cb 0.51 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1imu h VAL 77 CO 0.05 0.00 0.29 -0.08 0.02 0.00 0.00 177.57 177.86 1imu h GLU 78 N -0.12 0.16 -0.23 1.57 4.22 -0.61 0.73 114.58 120.30 1imu h GLU 78 Ca 0.21 -0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.55 1imu h GLU 78 Cb 0.45 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1imu h GLU 78 CO -0.52 0.10 -0.23 1.49 -2.18 0.00 0.00 179.01 177.67 1imu h GLU 79 N 0.16 0.56 -0.44 1.92 4.57 0.72 0.39 114.58 122.47 1imu h GLU 79 Ca 0.20 -0.30 -0.14 0.00 -1.18 0.00 0.00 59.36 57.94 1imu h GLU 79 Cb 0.57 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1imu h GLU 79 CO -0.03 0.89 -0.28 0.87 -1.18 0.00 0.00 179.01 179.28 1imu h LYS 80 N 0.26 0.96 -0.30 1.92 1.57 0.12 0.33 116.57 121.42 1imu h LYS 80 Ca 0.04 -0.45 -0.05 0.00 -1.87 0.00 0.00 60.65 58.32 1imu h LYS 80 Cb 0.78 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1imu h LYS 80 CO 0.06 1.11 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.98 1imu h LEU 81 N 0.80 0.52 0.07 2.94 -0.00 0.44 0.27 115.31 120.35 1imu h LEU 81 Ca 0.09 -0.31 -0.00 0.00 -0.00 0.00 0.00 57.88 57.66 1imu h LEU 81 Cb 0.86 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 1imu h LEU 81 CO 0.08 0.71 -0.03 -0.08 -0.00 0.00 0.00 178.44 179.11 1imu h GLU 82 N 0.33 -0.09 -0.47 1.13 4.81 -0.15 0.23 114.58 120.36 1imu h GLU 82 Ca 0.08 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 1imu h GLU 82 Cb 0.44 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.77 1imu h GLU 82 CO 0.02 0.28 0.09 -0.09 -0.73 0.00 0.00 179.01 178.58 1imu h ARG 83 N -0.48 0.21 -0.67 1.92 2.43 -0.35 0.29 114.38 117.73 1imu h ARG 83 Ca -0.01 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1imu h ARG 83 Cb 0.42 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1imu h ARG 83 CO 0.02 0.14 0.35 1.96 -1.51 0.00 0.00 179.97 180.93 1imu h GLN 84 N 0.22 0.94 0.05 0.20 4.20 -0.38 0.13 115.11 120.47 1imu h GLN 84 Ca 0.24 -0.11 0.02 0.00 0.06 0.00 0.00 58.65 58.85 1imu h GLN 84 Cb 0.31 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1imu h GLN 84 CO -0.32 0.70 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.34 1imu h LEU 85 N 0.94 -0.39 -1.62 1.46 3.38 0.24 0.29 115.31 119.62 1imu h LEU 85 Ca 0.24 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.32 1imu h LEU 85 Cb 0.05 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1imu h LEU 85 CO -0.04 -0.20 0.36 -1.13 0.09 0.00 0.00 178.44 177.53 1imu h ASN 86 N -0.26 0.41 0.22 -0.43 -0.73 0.16 -0.68 115.58 114.27 1imu h ASN 86 Ca 0.03 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.19 1imu h ASN 86 Cb 0.29 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.80 1imu h ASN 86 CO -0.10 0.27 -0.11 0.50 -0.37 0.00 0.00 177.43 177.62 1imu h LYS 87 N 0.47 -0.28 -0.15 6.67 1.63 0.14 0.70 116.57 125.74 1imu h LYS 87 Ca 0.24 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.10 1imu h LYS 87 Cb 0.33 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.97 1imu h LYS 87 CO -0.06 -0.12 -0.25 -0.07 -3.45 0.00 0.00 179.45 175.50 1imu h LEU 88 N -0.39 -0.77 -1.77 5.20 4.07 0.73 0.92 115.31 123.29 1imu h LEU 88 Ca -0.03 0.13 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 1imu h LEU 88 Cb 0.30 0.34 -0.00 0.00 1.08 0.00 0.00 40.66 42.38 1imu h LEU 88 CO 0.05 -0.29 -0.15 1.56 -1.08 0.00 0.00 178.44 178.53 1imu h GLN 89 N -0.30 0.00 0.21 1.13 4.20 -1.02 -3.17 115.11 116.15 1imu h GLN 89 Ca 0.11 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1imu h GLN 89 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1imu h GLN 89 CO -0.32 0.15 -0.10 0.45 -0.67 0.00 0.00 178.83 178.33 1imu h HIS 90 N 0.00 -0.27 -6.77 2.96 3.86 0.30 -3.47 115.15 111.76 1imu h HIS 90 Ca -0.00 -0.01 -0.55 0.00 -1.16 0.00 0.00 60.37 58.65 1imu h HIS 90 Cb 0.28 0.09 -0.15 0.00 1.06 0.00 0.00 27.41 28.69 1imu h HIS 90 CO 0.00 -0.17 -0.90 0.36 0.86 0.00 0.00 177.93 178.08 1imu n LYS 91 N -3.75 -2.41 -1.46 2.45 0.00 0.29 -4.95 118.16 108.34 1imu n LYS 91 Ca -0.04 0.29 0.00 0.00 -0.00 0.00 0.00 58.31 58.56 1imu n LYS 91 Cb 0.11 -4.39 0.00 0.00 -0.00 0.00 0.00 35.03 30.75 1imu n LYS 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1imu n SER 92 N -2.85 1.81 -2.23 -5.58 2.88 -1.26 -5.03 113.62 101.35 1imu n SER 92 Ca -0.20 -0.73 -0.30 0.00 -1.33 0.00 0.00 58.87 56.31 1imu n SER 92 Cb 0.63 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.16 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 0.00 2.44 -2.07 -1.46 2.13 -1.26 -4.81 120.64 115.61 1imu n GLU 93 Ca 0.00 -2.80 -0.20 0.00 0.66 0.00 0.00 57.16 54.82 1imu n GLU 93 Cb 0.00 -2.10 -0.04 0.00 0.27 0.00 0.00 31.44 29.57 1imu n GLU 93 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1imu n SER 94 N -0.53 -5.64 0.00 4.31 7.64 -1.26 -4.70 113.62 113.44 1imu n SER 94 Ca 0.53 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.62 1imu n SER 94 Cb 0.62 -4.81 0.00 0.00 -1.01 0.00 0.00 64.21 59.01 1imu n SER 94 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1imu n ARG 95 N -2.74 0.00 -1.28 1.43 5.12 -1.26 -5.16 116.66 112.77 1imu n ARG 95 Ca -0.23 0.00 0.17 0.00 -1.93 0.00 0.00 57.85 55.86 1imu n ARG 95 Cb 0.68 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.93 1imu n ARG 95 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1imu n ARG 96 N -2.49 -2.59 -3.61 5.56 0.63 -1.26 -4.92 116.66 107.98 1imu n ARG 96 Ca 0.00 1.75 -0.10 0.00 -0.92 0.00 0.00 57.85 58.58 1imu n ARG 96 Cb 0.00 -3.15 -0.10 0.00 0.45 0.00 0.00 32.46 29.65 1imu n ARG 96 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1imu s ALA 97 N -2.28 -0.95 -0.38 5.13 0.00 -1.26 -5.02 121.76 116.99 1imu s ALA 97 Ca 0.00 1.22 0.06 0.00 0.00 0.00 0.00 51.96 53.24 1imu s ALA 97 Cb 0.00 -1.29 0.66 0.00 0.00 0.00 0.00 23.12 22.49 1imu s ALA 97 CO 0.00 -0.81 1.80 -0.25 0.00 0.00 0.00 175.76 176.50 1imu n ASP 98 N 5.37 4.15 -1.94 0.00 8.00 -1.26 -4.87 116.55 126.00 1imu n ASP 98 Ca -0.07 -3.32 -0.17 0.00 0.71 0.00 0.00 54.79 51.94 1imu n ASP 98 Cb 0.50 -0.78 -0.00 0.00 -0.02 0.00 0.00 41.12 40.81 1imu n ASP 98 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1imu n GLU 99 N -0.60 -1.57 -3.65 -1.24 1.02 -1.26 -4.96 120.64 108.38 1imu n GLU 99 Ca 0.48 0.79 -0.01 0.00 -0.02 0.00 0.00 57.16 58.40 1imu n GLU 99 Cb 1.47 -5.22 -0.07 0.00 -0.02 0.00 0.00 31.44 27.60 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 -4.89 0.06 0.00 3.49 1.70 -1.26 -5.11 118.95 112.94 1imu s ARG 100 Ca 0.02 0.08 0.00 0.00 -0.47 0.00 0.00 55.73 55.36 1imu s ARG 100 Cb -0.01 0.02 0.00 0.00 -0.57 0.00 0.00 34.95 34.39 1imu s ARG 100 CO 0.03 -0.01 0.00 -0.11 -1.08 0.00 0.00 175.30 174.13 1imu n LEU 101 N 2.10 0.00 0.00 -1.89 7.94 -1.26 -5.04 117.00 118.86 1imu n LEU 101 Ca -0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 1imu n LEU 101 Cb 0.57 0.27 0.00 0.00 0.53 0.00 0.00 43.42 44.79 1imu n LEU 101 CO 0.03 -0.44 0.00 0.29 -1.11 0.00 0.00 177.39 176.16 1imu n LYS 102 N -2.31 0.00 -2.67 1.96 5.02 -1.26 -5.12 118.16 113.79 1imu n LYS 102 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1imu n LYS 102 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1imu n LYS 102 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1imu n ASP 103 N -2.52 -7.17 -0.05 4.39 9.92 -1.26 -5.00 116.55 114.87 1imu n ASP 103 Ca 0.00 1.39 -0.05 0.00 -0.53 0.00 0.00 54.79 55.60 1imu n ASP 103 Cb 0.00 -5.21 -0.08 0.00 -0.64 0.00 0.00 41.12 35.20 1imu n ASP 103 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1imu n SER 104 N 0.77 2.63 -1.57 -2.24 3.41 -1.26 -5.00 113.62 110.36 1imu n SER 104 Ca -0.04 -0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.38 1imu n SER 104 Cb 0.06 0.71 -0.07 0.00 -0.26 0.00 0.00 64.21 64.65 1imu n SER 104 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1imu n PHE 105 N -2.37 -0.14 -0.62 7.33 3.01 -1.26 -4.86 117.46 118.54 1imu n PHE 105 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 1imu n PHE 105 Cb 0.81 -3.30 0.00 0.00 -0.01 0.00 0.00 39.48 36.99 1imu n PHE 105 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1imu n GLU 106 N -2.51 -2.71 0.00 -1.08 2.13 -1.26 -5.35 120.64 109.86 1imu n GLU 106 Ca -0.20 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.66 1imu n GLU 106 Cb 0.63 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.38 1imu n GLU 106 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01