#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 0.00-13.40 -2.24 2.03 -2.24 -1.26 -4.72 114.28 92.45 1imu n THR 2 Ca 0.00 3.35 -0.43 0.00 -2.27 0.00 0.00 64.05 64.70 1imu n THR 2 Cb 0.00 -5.57 -0.02 0.00 -2.10 0.00 0.00 70.33 62.63 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 -0.52 3.78 0.50 3.22 0.20 -1.26 -4.50 118.68 120.11 1imu s LEU 3 Ca 0.00 1.30 -0.05 0.00 0.69 0.00 0.00 54.13 56.07 1imu s LEU 3 Cb 0.00 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.19 1imu s LEU 3 CO 0.00 -1.29 0.81 0.20 -0.29 0.00 0.00 176.35 175.78 1imu s ASN 4 N 3.95 6.17 0.37 3.68 0.02 0.71 -4.80 114.94 125.04 1imu s ASN 4 Ca 0.66 0.91 0.04 0.00 -1.02 0.00 0.00 52.86 53.44 1imu s ASN 4 Cb -0.20 -2.17 -0.05 0.00 0.02 0.00 0.00 41.25 38.85 1imu s ASN 4 CO 0.29 -0.66 0.07 0.27 0.02 0.00 0.00 177.10 177.09 1imu s ILE 5 N -2.79 1.03 0.12 0.60 -0.00 -1.26 -0.43 121.20 118.47 1imu s ILE 5 Ca 0.49 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 59.14 1imu s ILE 5 Cb -0.10 -2.60 0.00 0.00 -0.00 0.00 0.00 42.46 39.75 1imu s ILE 5 CO 0.45 0.00 0.00 0.41 -0.00 0.00 0.00 174.94 175.80 1imu n THR 6 N -0.82 0.00 -2.88 8.37 -1.04 -1.22 -4.86 114.28 111.82 1imu n THR 6 Ca -0.05 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.94 1imu n THR 6 Cb 0.66 -0.40 -0.02 0.00 -1.82 0.00 0.00 70.33 68.76 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 -2.86 -4.67 0.24 8.00 3.41 -1.26 -4.81 113.62 111.67 1imu n SER 7 Ca 0.00 1.11 0.09 0.00 -0.26 0.00 0.00 58.87 59.81 1imu n SER 7 Cb 0.00 -3.21 0.64 0.00 -0.26 0.00 0.00 64.21 61.39 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 4.53 0.00 0.00 4.33 2.10 -1.94 -3.43 116.57 122.16 1imu h LYS 8 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 1imu h LYS 8 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1imu h LYS 8 CO 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.46 1imu n GLN 9 N -4.53 0.00 -1.44 0.07 10.64 -1.26 -5.03 117.38 115.84 1imu n GLN 9 Ca -0.02 0.00 -0.51 0.00 -1.83 0.00 0.00 57.00 54.64 1imu n GLN 9 Cb 0.13 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.44 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 -0.06 1.03 -0.38 2.61 0.00 -1.26 -4.91 117.12 114.16 1imu n MET 10 Ca 0.00 0.28 -0.25 0.00 0.00 0.00 0.00 57.70 57.73 1imu n MET 10 Cb 0.00 -2.43 0.23 0.00 0.00 0.00 0.00 33.22 31.03 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 9.78 -3.50 -4.85 3.17 9.92 -1.26 -4.77 116.55 125.04 1imu n ASP 11 Ca 0.42 -0.61 -0.34 0.00 -0.53 0.00 0.00 54.79 53.73 1imu n ASP 11 Cb 0.22 -0.93 -0.06 0.00 -0.64 0.00 0.00 41.12 39.71 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 -2.12 5.16 0.31 0.53 -0.00 -1.26 -5.05 121.20 118.77 1imu s ILE 12 Ca 0.54 -0.21 0.05 0.00 -0.00 0.00 0.00 60.65 61.03 1imu s ILE 12 Cb -0.11 -3.37 -0.03 0.00 -0.00 0.00 0.00 42.46 38.96 1imu s ILE 12 CO 0.48 0.38 0.28 0.42 -0.00 0.00 0.00 174.94 176.49 1imu s THR 13 N -1.23 0.00 0.28 8.37 -4.23 -1.26 -4.96 115.64 112.61 1imu s THR 13 Ca 0.24 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1imu s THR 13 Cb -0.12 -2.51 0.31 0.00 1.34 0.00 0.00 72.50 71.51 1imu s THR 13 CO 0.15 0.00 1.64 -0.65 -0.54 0.00 0.00 174.62 175.22 1imu h PRO 14 N 2.22 0.17 0.00 3.99 0.11 -1.99 0.25 132.00 136.75 1imu h PRO 14 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1imu h PRO 14 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1imu h PRO 14 CO 0.40 0.12 0.00 0.00 -0.21 0.00 0.00 178.00 178.30 1imu n ALA 15 N -2.77 0.00 0.02 -0.75 0.00 -1.26 0.13 120.51 115.89 1imu n ALA 15 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.51 1imu n ALA 15 Cb 0.65 0.06 -0.06 0.00 0.00 0.00 0.00 19.45 20.10 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 0.15 -0.97 0.00 -2.65 -1.96 0.42 117.51 112.50 1imu h ILE 16 Ca 0.00 0.00 0.13 0.00 1.03 0.00 0.00 64.86 66.02 1imu h ILE 16 Cb 0.00 0.15 -0.14 0.00 -2.05 0.00 0.00 36.82 34.78 1imu h ILE 16 CO 0.00 0.00 -0.45 -1.14 0.03 0.00 0.00 178.15 176.59 1imu n ARG 17 N -5.44 -0.30 -0.32 0.16 0.63 0.86 0.16 116.66 112.41 1imu n ARG 17 Ca -0.05 1.48 -0.05 0.00 -0.92 0.00 0.00 57.85 58.32 1imu n ARG 17 Cb 0.36 -2.19 0.08 0.00 0.45 0.00 0.00 32.46 31.16 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 1.21 0.15 -0.14 4.57 0.48 0.24 114.58 121.09 1imu h GLU 18 Ca 0.27 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1imu h GLU 18 Cb 0.51 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1imu h GLU 18 CO -0.94 0.91 -0.07 1.25 -1.18 0.00 0.00 179.01 178.97 1imu h HIS 19 N 1.21 -0.18 -0.57 0.92 2.76 0.58 0.75 115.15 120.61 1imu h HIS 19 Ca 0.30 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.57 1imu h HIS 19 Cb 0.07 0.06 -0.11 0.00 1.55 0.00 0.00 27.41 28.98 1imu h HIS 19 CO 0.01 -0.11 -0.30 -0.07 -1.30 0.00 0.00 177.93 176.15 1imu h LEU 20 N -0.21 -1.05 0.34 0.26 3.38 0.16 0.92 115.31 119.11 1imu h LEU 20 Ca -0.02 0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1imu h LEU 20 Cb 0.15 0.53 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1imu h LEU 20 CO 0.03 -0.29 -0.41 -0.33 0.09 0.00 0.00 178.44 177.53 1imu h GLU 21 N -0.15 -0.76 -0.93 1.13 5.08 -0.53 0.86 114.58 119.28 1imu h GLU 21 Ca 0.24 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.80 1imu h GLU 21 Cb 0.54 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 29.88 1imu h GLU 21 CO -0.66 -0.51 0.59 0.93 -1.00 0.00 0.00 179.01 178.37 1imu h GLU 22 N -0.79 0.72 -0.20 2.33 4.39 0.16 0.30 114.58 121.49 1imu h GLU 22 Ca -0.02 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1imu h GLU 22 Cb 0.72 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1imu h GLU 22 CO -0.11 0.47 0.10 0.00 -1.16 0.00 0.00 179.01 178.32 1imu h ARG 23 N 0.74 0.28 0.15 2.33 2.47 0.18 0.37 114.38 120.90 1imu h ARG 23 Ca 0.48 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 59.16 1imu h ARG 23 Cb 0.74 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 1imu h ARG 23 CO -0.24 0.29 -0.07 1.25 0.56 0.00 0.00 179.97 181.75 1imu h LEU 24 N 0.21 -0.16 -1.97 3.04 7.12 0.75 0.39 115.31 124.68 1imu h LEU 24 Ca 0.07 -0.14 0.15 0.00 0.13 0.00 0.00 57.88 58.09 1imu h LEU 24 Cb 0.09 0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.24 1imu h LEU 24 CO -0.01 0.05 0.38 0.00 -0.13 0.00 0.00 178.44 178.73 1imu h ALA 25 N 0.45 2.47 0.11 1.25 0.00 -0.35 0.26 119.26 123.45 1imu h ALA 25 Ca -0.02 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 1imu h ALA 25 Cb 0.30 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.14 1imu h ALA 25 CO 0.03 -0.63 -1.21 -0.22 0.00 0.00 0.00 179.25 177.23 1imu h LYS 26 N 0.03 0.50 0.00 0.00 1.63 0.46 -3.10 116.57 116.09 1imu h LYS 26 Ca 0.26 -0.69 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1imu h LYS 26 Cb 0.99 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 1imu h LYS 26 CO -0.01 1.30 0.00 1.28 -3.45 0.00 0.00 179.45 178.57 1imu n LEU 27 N -3.72 0.12 0.08 5.20 4.77 0.13 -3.00 117.00 120.59 1imu n LEU 27 Ca -0.11 0.52 0.03 0.00 -0.03 0.00 0.00 56.01 56.42 1imu n LEU 27 Cb 0.97 -0.50 0.41 0.00 -2.33 0.00 0.00 43.42 41.98 1imu n LEU 27 CO 0.56 -0.21 0.99 1.23 -1.33 0.00 0.00 177.39 178.63 1imu h GLY 28 N 3.27 0.37 1.92 -0.72 0.00 -0.66 -1.44 103.07 105.80 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 0.04 1.70 0.00 0.00 0.00 176.54 178.46 1imu h LYS 29 N 0.34 0.00 -6.53 4.80 3.64 -1.72 -3.40 116.57 113.70 1imu h LYS 29 Ca 0.08 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.89 1imu h LYS 29 Cb 0.20 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 1imu h LYS 29 CO 0.00 0.00 0.94 -1.58 -2.27 0.00 0.00 179.45 176.55 1imu s TRP 30 N -4.09 2.79 -0.00 1.91 0.52 -0.55 -4.85 118.94 114.67 1imu s TRP 30 Ca -0.05 0.84 -0.01 0.00 0.02 0.00 0.00 56.10 56.90 1imu s TRP 30 Cb 0.12 -4.15 -0.02 0.00 -1.15 0.00 0.00 33.47 28.27 1imu s TRP 30 CO 0.38 -1.37 0.55 0.00 0.02 0.00 0.00 176.95 176.52 1imu n GLN 31 N 7.57 0.00 -3.83 4.98 0.00 -1.26 -4.66 117.38 120.19 1imu n GLN 31 Ca 0.13 -0.04 -0.10 0.00 0.00 0.00 0.00 57.00 57.00 1imu n GLN 31 Cb 0.48 -1.06 -0.05 0.00 0.00 0.00 0.00 30.24 29.61 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 3.15 0.05 -0.46 -0.39 2.01 -1.26 -4.99 115.64 113.74 1imu s THR 32 Ca 0.03 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 61.03 1imu s THR 32 Cb 0.01 -1.65 0.13 0.00 0.01 0.00 0.00 72.50 70.99 1imu s THR 32 CO 0.01 -0.22 0.22 0.00 -0.69 0.00 0.00 174.62 173.95 1imu s GLN 33 N -3.91 1.58 -0.82 4.92 0.00 -1.26 -4.99 119.66 115.18 1imu s GLN 33 Ca 0.12 -2.21 -0.25 0.00 -0.00 0.00 0.00 55.36 53.02 1imu s GLN 33 Cb 0.01 -2.85 -0.19 0.00 0.00 0.00 0.00 33.01 29.98 1imu s GLN 33 CO -0.02 -1.10 2.47 1.28 0.00 0.00 0.00 175.29 177.91 1imu n LEU 34 N 3.50 0.77 -4.56 2.60 7.99 -1.25 -4.46 117.00 121.60 1imu n LEU 34 Ca 0.06 -0.42 -0.26 0.00 -0.01 0.00 0.00 56.01 55.38 1imu n LEU 34 Cb 0.35 -1.15 -0.05 0.00 -0.11 0.00 0.00 43.42 42.45 1imu n LEU 34 CO 0.28 -1.41 1.36 -0.63 -1.51 0.00 0.00 177.39 175.48 1imu s ILE 35 N 9.13 3.36 -0.22 -0.08 1.01 0.38 -4.11 121.20 130.68 1imu s ILE 35 Ca 1.18 -0.25 -0.00 0.00 0.00 0.00 0.00 60.65 61.57 1imu s ILE 35 Cb -0.69 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 37.96 1imu s ILE 35 CO 0.38 -0.78 0.01 -0.24 0.00 0.00 0.00 174.94 174.31 1imu n SER 36 N 14.66 -7.39 -4.76 3.58 2.88 -1.26 -3.30 113.62 118.03 1imu n SER 36 Ca 0.39 1.16 -0.39 0.00 -1.33 0.00 0.00 58.87 58.71 1imu n SER 36 Cb 0.47 -4.30 -0.06 0.00 -0.75 0.00 0.00 64.21 59.57 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 -1.41 4.31 0.29 -1.46 0.04 -1.26 -4.23 135.00 131.28 1imu s PRO 37 Ca -0.01 0.69 0.03 0.00 0.04 0.00 0.00 61.00 61.74 1imu s PRO 37 Cb 0.00 -3.36 -0.06 0.00 0.04 0.00 0.00 34.50 31.12 1imu s PRO 37 CO 0.57 0.33 0.08 -1.01 0.04 0.00 0.00 177.00 177.01 1imu s HIS 38 N -0.04 1.75 -0.29 0.56 3.76 0.41 -0.20 115.29 121.24 1imu s HIS 38 Ca 0.30 -1.07 0.02 0.00 -0.15 0.00 0.00 55.06 54.17 1imu s HIS 38 Cb -0.18 -1.09 0.16 0.00 1.11 0.00 0.00 32.58 32.58 1imu s HIS 38 CO 0.16 -0.16 0.41 -0.06 -0.85 0.00 0.00 174.74 174.24 1imu s PHE 39 N -3.53 -1.02 -0.92 1.40 0.40 0.42 -1.32 117.98 113.42 1imu s PHE 39 Ca 0.37 0.33 -0.19 0.00 -0.60 0.00 0.00 56.93 56.84 1imu s PHE 39 Cb 0.08 -0.15 0.12 0.00 0.51 0.00 0.00 43.02 43.59 1imu s PHE 39 CO 0.15 -0.99 1.13 0.08 0.70 0.00 0.00 175.22 176.29 1imu s VAL 40 N 2.55 4.67 0.05 -0.44 1.01 0.43 -3.42 120.40 125.24 1imu s VAL 40 Ca 0.10 -1.47 -0.12 0.00 0.00 0.00 0.00 61.98 60.48 1imu s VAL 40 Cb -0.12 -4.79 -0.06 0.00 0.00 0.00 0.00 36.38 31.41 1imu s VAL 40 CO -0.30 -1.52 0.42 -1.48 0.00 0.00 0.00 175.10 172.21 1imu s LEU 41 N 2.87 4.41 0.21 3.92 2.34 -1.26 -0.06 118.68 131.11 1imu s LEU 41 Ca 0.33 0.90 -0.12 0.00 0.06 0.00 0.00 54.13 55.30 1imu s LEU 41 Cb -0.05 -2.83 -0.00 0.00 -0.56 0.00 0.00 46.19 42.75 1imu s LEU 41 CO -0.08 0.24 0.41 0.20 -1.06 0.00 0.00 176.35 176.05 1imu s ASN 42 N -1.45 -0.06 0.28 1.48 0.01 0.42 -3.68 114.94 111.94 1imu s ASN 42 Ca 0.29 -0.88 0.03 0.00 -0.71 0.00 0.00 52.86 51.60 1imu s ASN 42 Cb -0.15 0.53 -0.06 0.00 0.41 0.00 0.00 41.25 41.98 1imu s ASN 42 CO 0.16 -1.04 0.04 -0.75 -1.51 0.00 0.00 177.10 174.00 1imu s LYS 43 N -3.99 1.49 0.09 -0.60 2.20 -1.26 -0.15 119.74 117.51 1imu s LYS 43 Ca 0.20 -1.79 -0.25 0.00 -0.36 0.00 0.00 55.97 53.76 1imu s LYS 43 Cb 0.01 -0.68 0.08 0.00 -1.51 0.00 0.00 37.83 35.74 1imu s LYS 43 CO 0.05 -0.16 0.71 0.14 -0.36 0.00 0.00 175.35 175.73 1imu s VAL 44 N -3.41 0.00 0.31 4.02 -7.23 0.31 -4.65 120.40 109.75 1imu s VAL 44 Ca 0.33 0.00 0.06 0.00 -1.81 0.00 0.00 61.98 60.56 1imu s VAL 44 Cb 0.07 -1.00 0.30 0.00 0.56 0.00 0.00 36.38 36.32 1imu s VAL 44 CO 0.12 0.00 1.81 1.55 -0.31 0.00 0.00 175.10 178.27 1imu h PRO 45 N 2.04 0.78 -0.00 4.82 0.13 -2.02 0.28 132.00 138.02 1imu h PRO 45 Ca -0.29 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1imu h PRO 45 Cb 1.28 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1imu h PRO 45 CO 0.35 0.52 -0.00 -1.71 -0.23 0.00 0.00 178.00 176.93 1imu n ASN 46 N -4.68 0.13 0.00 1.44 5.15 -1.26 -4.99 115.26 111.05 1imu n ASN 46 Ca 0.21 -1.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.17 1imu n ASN 46 Cb 0.51 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 1imu n ASN 46 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1imu n GLY 47 N 1.02 0.09 3.11 8.20 0.00 0.97 -4.40 105.19 114.19 1imu n GLY 47 Ca 0.23 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 44.92 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 1.74 -0.18 1.61 0.40 0.52 0.11 117.98 118.19 1imu s PHE 48 Ca 0.00 -0.57 -0.01 0.00 -0.60 0.00 0.00 56.93 55.74 1imu s PHE 48 Cb 0.00 -1.20 -0.00 0.00 0.51 0.00 0.00 43.02 42.33 1imu s PHE 48 CO 0.00 -0.23 -0.11 -1.54 0.70 0.00 0.00 175.22 174.04 1imu s SER 49 N 0.25 3.93 0.11 1.36 1.04 0.78 -0.37 113.70 120.80 1imu s SER 49 Ca -0.09 -0.43 0.09 0.00 0.48 0.00 0.00 55.95 56.00 1imu s SER 49 Cb -0.13 -1.63 -0.04 0.00 0.10 0.00 0.00 66.02 64.32 1imu s SER 49 CO 0.03 0.05 -0.21 -0.69 0.98 0.00 0.00 173.24 173.40 1imu s VAL 50 N 1.02 1.79 -0.17 5.02 1.01 0.96 0.16 120.40 130.19 1imu s VAL 50 Ca -0.01 -1.60 -0.06 0.00 0.00 0.00 0.00 61.98 60.31 1imu s VAL 50 Cb -0.15 -1.64 0.08 0.00 0.00 0.00 0.00 36.38 34.68 1imu s VAL 50 CO -0.02 -0.06 0.37 -0.70 0.00 0.00 0.00 175.10 174.69 1imu s GLU 51 N -2.00 0.27 -0.10 2.72 2.12 0.92 0.26 118.70 122.89 1imu s GLU 51 Ca 0.08 0.91 -0.08 0.00 0.36 0.00 0.00 54.97 56.24 1imu s GLU 51 Cb -0.10 0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.43 1imu s GLU 51 CO 0.05 -0.25 0.18 0.00 -0.54 0.00 0.00 175.26 174.70 1imu s ALA 52 N 2.40 3.85 -0.33 6.30 0.00 0.95 0.16 121.76 135.09 1imu s ALA 52 Ca -0.02 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 1imu s ALA 52 Cb -0.12 -2.03 0.11 0.00 0.00 0.00 0.00 23.12 21.08 1imu s ALA 52 CO -0.11 0.60 0.13 -1.54 0.00 0.00 0.00 175.76 174.84 1imu s SER 53 N -1.05 3.88 0.49 0.00 1.04 -0.43 -0.25 113.70 117.38 1imu s SER 53 Ca 0.16 -1.82 0.02 0.00 0.48 0.00 0.00 55.95 54.79 1imu s SER 53 Cb -0.13 -0.84 -0.01 0.00 0.10 0.00 0.00 66.02 65.14 1imu s SER 53 CO 0.06 -0.39 0.04 -0.63 0.98 0.00 0.00 173.24 173.30 1imu s ILE 54 N 1.40 0.92 0.03 -1.02 1.01 0.67 0.15 121.20 124.36 1imu s ILE 54 Ca 0.12 -2.00 -0.10 0.00 0.00 0.00 0.00 60.65 58.66 1imu s ILE 54 Cb -0.19 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.15 1imu s ILE 54 CO -0.20 0.00 0.21 -0.83 0.00 0.00 0.00 174.94 174.12 1imu s GLY 55 N -3.82 0.00 -0.01 6.18 0.00 -1.21 0.10 107.32 108.57 1imu s GLY 55 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.64 1imu s GLY 55 CO 0.05 -0.34 0.00 -0.51 0.00 0.00 0.00 173.10 172.30 1imu s THR 56 N -2.25 0.03 0.66 0.90 -4.23 -1.07 0.14 115.64 109.82 1imu s THR 56 Ca -0.07 0.03 0.23 0.00 -1.18 0.00 0.00 61.69 60.69 1imu s THR 56 Cb -0.02 -0.06 0.23 0.00 1.34 0.00 0.00 72.50 73.99 1imu s THR 56 CO -0.02 0.03 1.69 -0.65 -0.54 0.00 0.00 174.62 175.14 1imu h PRO 57 N 6.40 0.00 0.00 3.99 0.11 -1.99 0.97 132.00 141.48 1imu h PRO 57 Ca -0.29 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.69 1imu h PRO 57 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1imu h PRO 57 CO 0.50 0.00 -1.38 1.28 -0.21 0.00 0.00 178.00 178.20 1imu n LEU 58 N -2.82 0.79 0.00 2.35 4.77 -1.26 -4.98 117.00 115.85 1imu n LEU 58 Ca -0.01 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1imu n LEU 58 Cb 0.55 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1imu n LEU 58 CO 0.11 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1imu n GLY 59 N 1.35 2.48 3.10 -0.72 0.00 0.33 -4.72 105.19 107.02 1imu n GLY 59 Ca -0.08 0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1imu n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1imu n ASN 60 N 0.00 -2.68 -3.62 1.61 5.15 -1.24 -2.60 115.26 111.88 1imu n ASN 60 Ca 0.00 -0.18 -0.24 0.00 -0.60 0.00 0.00 54.58 53.56 1imu n ASN 60 Cb 0.00 -0.77 -0.17 0.00 -0.53 0.00 0.00 39.78 38.31 1imu n ASN 60 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1imu s LEU 61 N 1.74 0.28 0.13 1.20 1.43 0.28 -4.58 118.68 119.16 1imu s LEU 61 Ca 0.42 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 53.15 1imu s LEU 61 Cb -0.04 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.93 1imu s LEU 61 CO 0.52 -0.32 -0.14 -0.76 0.23 0.00 0.00 176.35 175.88 1imu s LEU 62 N 2.15 2.41 0.07 1.79 1.43 -1.26 0.24 118.68 125.51 1imu s LEU 62 Ca 0.03 -0.82 -0.26 0.00 -1.03 0.00 0.00 54.13 52.05 1imu s LEU 62 Cb -0.15 -0.56 0.08 0.00 0.03 0.00 0.00 46.19 45.59 1imu s LEU 62 CO -0.08 -0.15 0.69 0.00 0.23 0.00 0.00 176.35 177.05 1imu s ALA 63 N -2.18 -1.70 -0.17 4.21 0.00 0.66 -4.62 121.76 117.96 1imu s ALA 63 Ca 0.10 0.83 -0.28 0.00 0.00 0.00 0.00 51.96 52.60 1imu s ALA 63 Cb -0.05 0.52 0.09 0.00 0.00 0.00 0.00 23.12 23.69 1imu s ALA 63 CO 0.03 -0.64 0.82 -1.54 0.00 0.00 0.00 175.76 174.43 1imu s SER 64 N -2.28 -0.58 0.03 0.00 1.04 -1.26 -0.04 113.70 110.62 1imu s SER 64 Ca -0.01 0.85 -0.27 0.00 0.48 0.00 0.00 55.95 56.99 1imu s SER 64 Cb -0.01 0.76 0.08 0.00 0.10 0.00 0.00 66.02 66.96 1imu s SER 64 CO -0.07 -0.38 0.74 0.00 0.98 0.00 0.00 173.24 174.51 1imu s ALA 65 N -0.55 -1.73 -0.04 5.32 0.00 0.14 -4.83 121.76 120.06 1imu s ALA 65 Ca -0.04 0.95 0.03 0.00 0.00 0.00 0.00 51.96 52.90 1imu s ALA 65 Cb -0.02 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.48 1imu s ALA 65 CO 0.03 -0.60 -0.11 0.99 0.00 0.00 0.00 175.76 176.07 1imu s THR 66 N -2.67 0.98 0.02 0.00 2.01 -1.26 -0.03 115.64 114.69 1imu s THR 66 Ca -0.01 -0.44 -0.28 0.00 0.31 0.00 0.00 61.69 61.27 1imu s THR 66 Cb -0.01 -0.88 0.10 0.00 0.01 0.00 0.00 72.50 71.72 1imu s THR 66 CO -0.05 0.31 0.92 -0.44 -0.69 0.00 0.00 174.62 174.67 1imu s SER 67 N 0.37 -0.31 0.00 3.53 0.01 0.50 -4.92 113.70 112.87 1imu s SER 67 Ca -0.07 -0.08 0.16 0.00 1.31 0.00 0.00 55.95 57.27 1imu s SER 67 Cb -0.12 0.39 0.98 0.00 0.21 0.00 0.00 66.02 67.49 1imu s SER 67 CO 0.02 -0.66 1.63 -0.90 0.41 0.00 0.00 173.24 173.74 1imu n ASP 68 N -0.29 0.00 -4.00 2.44 5.75 -1.26 0.20 116.55 119.38 1imu n ASP 68 Ca -0.08 -1.47 -0.31 0.00 -0.01 0.00 0.00 54.79 52.92 1imu n ASP 68 Cb 0.61 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.56 1imu n ASP 68 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1imu s ASP 69 N -1.52 4.70 0.00 -1.12 1.01 -1.26 -4.84 116.67 113.64 1imu s ASP 69 Ca 0.25 -2.23 0.00 0.00 0.71 0.00 0.00 52.55 51.28 1imu s ASP 69 Cb 0.11 -1.61 0.00 0.00 1.01 0.00 0.00 42.92 42.44 1imu s ASP 69 CO 0.19 -0.37 0.95 0.23 0.21 0.00 0.00 175.17 176.38 1imu n MET 70 N 4.15 0.00 0.28 8.23 2.81 -1.26 0.15 117.12 131.48 1imu n MET 70 Ca 0.04 0.95 0.15 0.00 -1.81 0.00 0.00 57.70 57.03 1imu n MET 70 Cb 0.41 -1.43 0.82 0.00 -0.71 0.00 0.00 33.22 32.32 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 -0.07 2.03 -1.99 -1.97 0.17 116.97 115.13 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 -0.87 0.07 -0.91 -0.22 -0.00 0.00 0.00 178.16 176.23 1imu h LYS 72 N 0.00 0.70 -0.31 4.88 3.64 -1.36 1.53 116.57 125.66 1imu h LYS 72 Ca -0.00 -0.66 -0.01 0.00 -1.27 0.00 0.00 60.65 58.71 1imu h LYS 72 Cb 0.26 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1imu h LYS 72 CO 0.01 1.26 0.16 0.00 -2.27 0.00 0.00 179.45 178.61 1imu h ALA 73 N 0.53 0.39 -0.61 5.00 0.00 0.25 1.60 119.26 126.40 1imu h ALA 73 Ca -0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1imu h ALA 73 Cb 1.54 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1imu h ALA 73 CO 0.18 -0.06 0.22 0.82 0.00 0.00 0.00 179.25 180.41 1imu h ILE 74 N 0.37 1.22 -0.82 0.00 5.03 -0.92 0.26 117.51 122.65 1imu h ILE 74 Ca 0.11 -0.73 0.05 0.00 -0.12 0.00 0.00 64.86 64.16 1imu h ILE 74 Cb 0.09 0.52 -0.05 0.00 -3.03 0.00 0.00 36.82 34.35 1imu h ILE 74 CO -0.02 0.29 0.54 -1.13 -0.68 0.00 0.00 178.15 177.15 1imu h ASN 75 N 0.89 0.84 0.26 1.72 -0.73 0.45 0.19 115.58 119.19 1imu h ASN 75 Ca 0.21 -0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.36 1imu h ASN 75 Cb 0.21 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.62 1imu h ASN 75 CO -0.01 0.56 -0.12 -0.08 -0.37 0.00 0.00 177.43 177.40 1imu h GLU 76 N 0.96 -0.33 -0.47 6.67 4.81 0.42 -2.65 114.58 123.98 1imu h GLU 76 Ca 0.34 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.68 1imu h GLU 76 Cb 0.12 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 29.48 1imu h GLU 76 CO -0.11 -0.04 -0.25 0.28 -0.73 0.00 0.00 179.01 178.16 1imu h VAL 77 N -1.00 0.31 -0.54 0.32 2.07 -0.33 0.65 116.25 117.73 1imu h VAL 77 Ca -0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.59 1imu h VAL 77 Cb 0.44 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1imu h VAL 77 CO 0.06 0.00 0.37 -0.08 0.02 0.00 0.00 177.57 177.94 1imu h GLU 78 N -0.15 0.25 -0.34 1.57 4.22 -0.74 0.64 114.58 120.04 1imu h GLU 78 Ca 0.22 -0.02 -0.13 0.00 0.08 0.00 0.00 59.36 59.51 1imu h GLU 78 Cb 0.49 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1imu h GLU 78 CO -0.56 0.17 -0.31 0.93 -2.18 0.00 0.00 179.01 177.05 1imu h GLU 79 N 0.26 0.81 -0.19 1.92 3.07 0.54 0.37 114.58 121.36 1imu h GLU 79 Ca 0.25 -0.42 -0.07 0.00 -0.50 0.00 0.00 59.36 58.62 1imu h GLU 79 Cb 0.65 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1imu h GLU 79 CO -0.05 1.05 -0.17 -0.22 -1.40 0.00 0.00 179.01 178.22 1imu h LYS 80 N 0.60 0.45 -0.44 2.33 3.64 0.16 0.39 116.57 123.69 1imu h LYS 80 Ca 0.06 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.19 1imu h LYS 80 Cb 0.89 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 1imu h LYS 80 CO 0.08 0.80 0.21 1.25 -2.27 0.00 0.00 179.45 179.51 1imu h LEU 81 N 0.12 0.58 0.19 5.20 7.12 0.20 0.25 115.31 128.98 1imu h LEU 81 Ca 0.03 -0.14 -0.01 0.00 0.13 0.00 0.00 57.88 57.90 1imu h LEU 81 Cb 0.71 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.69 1imu h LEU 81 CO 0.04 0.56 -0.09 -0.08 -0.13 0.00 0.00 178.44 178.74 1imu h GLU 82 N 0.57 -0.25 -0.54 1.25 4.81 -0.24 0.13 114.58 120.31 1imu h GLU 82 Ca 0.15 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.51 1imu h GLU 82 Cb 0.13 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.47 1imu h GLU 82 CO -0.02 0.10 -0.07 0.00 -0.73 0.00 0.00 179.01 178.30 1imu h ARG 83 N -0.65 0.05 -0.53 1.92 3.08 -0.16 0.38 114.38 118.48 1imu h ARG 83 Ca -0.03 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1imu h ARG 83 Cb 0.47 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1imu h ARG 83 CO 0.04 0.03 0.33 1.96 -1.07 0.00 0.00 179.97 181.27 1imu h GLN 84 N 0.05 0.64 -0.12 0.04 4.20 -0.44 0.11 115.11 119.60 1imu h GLN 84 Ca 0.27 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.99 1imu h GLN 84 Cb 0.42 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.00 1imu h GLN 84 CO -0.51 0.42 -0.38 -0.07 -0.67 0.00 0.00 178.83 177.62 1imu h LEU 85 N 0.66 -1.18 -1.28 1.46 3.38 0.23 0.41 115.31 119.00 1imu h LEU 85 Ca 0.21 0.16 0.15 0.00 0.09 0.00 0.00 57.88 58.49 1imu h LEU 85 Cb -0.01 0.48 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 1imu h LEU 85 CO -0.08 -0.40 0.58 -1.13 0.09 0.00 0.00 178.44 177.49 1imu h ASN 86 N -0.46 0.66 -0.56 -0.43 -0.73 0.14 0.35 115.58 114.54 1imu h ASN 86 Ca 0.08 0.04 -0.00 0.00 1.87 0.00 0.00 56.30 58.29 1imu h ASN 86 Cb 0.60 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 39.08 1imu h ASN 86 CO -0.37 0.33 0.34 0.50 -0.37 0.00 0.00 177.43 177.86 1imu h LYS 87 N 0.69 0.75 0.72 6.67 3.64 0.22 0.68 116.57 129.93 1imu h LYS 87 Ca 0.45 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.74 1imu h LYS 87 Cb 0.74 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1imu h LYS 87 CO -0.21 0.53 -0.34 -0.07 -2.27 0.00 0.00 179.45 177.08 1imu h LEU 88 N 0.75 -0.82 -2.35 5.20 3.38 0.34 1.08 115.31 122.89 1imu h LEU 88 Ca 0.20 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1imu h LEU 88 Cb -0.03 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1imu h LEU 88 CO -0.04 -0.55 0.10 1.56 0.09 0.00 0.00 178.44 179.60 1imu h GLN 89 N -1.01 0.00 0.03 1.13 7.50 -0.69 -0.35 115.11 121.71 1imu h GLN 89 Ca -0.10 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.05 1imu h GLN 89 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.28 1imu h GLN 89 CO 0.16 0.00 -0.01 0.45 -1.50 0.00 0.00 178.83 177.93 1imu h HIS 90 N 0.00 -0.04 -0.44 2.96 3.86 0.11 -3.32 115.15 118.28 1imu h HIS 90 Ca 0.04 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.38 1imu h HIS 90 Cb 0.24 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 1imu h HIS 90 CO 0.00 0.05 0.36 0.87 0.86 0.00 0.00 177.93 180.06 1imu h LYS 91 N -1.01 0.00 0.00 2.45 1.57 0.15 -3.45 116.57 116.28 1imu h LYS 91 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1imu h LYS 91 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1imu h LYS 91 CO 0.01 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.32 1imu n SER 92 N -4.15 0.00 -0.10 0.86 7.64 -0.17 -3.63 113.62 114.07 1imu n SER 92 Ca 0.08 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.75 1imu n SER 92 Cb 0.55 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.00 -4.82 1.43 4.81 -1.87 -3.48 114.58 110.65 1imu h GLU 93 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1imu h GLU 93 Cb 0.00 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.26 1imu h GLU 93 CO 0.00 0.97 -1.47 0.45 -0.73 0.00 0.00 179.01 178.23 1imu n SER 94 N -4.45 -0.98 -3.74 1.04 2.88 -1.24 -4.91 113.62 102.22 1imu n SER 94 Ca -0.30 1.29 -0.13 0.00 -1.33 0.00 0.00 58.87 58.40 1imu n SER 94 Cb 0.66 -4.99 -0.14 0.00 -0.75 0.00 0.00 64.21 59.00 1imu n SER 94 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1imu s ARG 95 N -0.70 0.16 -0.08 -1.46 6.06 -1.26 -4.98 118.95 116.70 1imu s ARG 95 Ca -0.26 0.45 0.03 0.00 -2.50 0.00 0.00 55.73 53.46 1imu s ARG 95 Cb 0.02 -0.13 0.10 0.00 0.06 0.00 0.00 34.95 35.00 1imu s ARG 95 CO 0.69 -0.16 1.13 -2.13 -2.50 0.00 0.00 175.30 172.33 1imu n ARG 96 N 4.14 0.32 -3.00 5.12 0.63 -1.26 -5.11 116.66 117.50 1imu n ARG 96 Ca -0.25 -1.05 -0.42 0.00 -0.92 0.00 0.00 57.85 55.21 1imu n ARG 96 Cb 0.53 0.48 -0.05 0.00 0.45 0.00 0.00 32.46 33.86 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 0.03 3.51 0.25 5.13 0.00 -1.26 -4.92 121.76 124.50 1imu s ALA 97 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1imu s ALA 97 Cb 0.11 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1imu s ALA 97 CO -0.03 -1.21 0.00 -0.25 0.00 0.00 0.00 175.76 174.27 1imu n ASP 98 N 6.13 -7.80 -1.32 0.00 8.00 -1.26 -4.82 116.55 115.49 1imu n ASP 98 Ca 0.02 1.16 -0.03 0.00 0.71 0.00 0.00 54.79 56.65 1imu n ASP 98 Cb 0.48 -3.25 -0.02 0.00 -0.02 0.00 0.00 41.12 38.31 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 -3.64 0.12 -4.73 -1.24 1.02 -1.26 -5.12 120.64 105.80 1imu n GLU 99 Ca 0.01 -1.43 -0.31 0.00 -0.02 0.00 0.00 57.16 55.40 1imu n GLU 99 Cb 0.49 0.26 -0.13 0.00 -0.02 0.00 0.00 31.44 32.04 1imu n GLU 99 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1imu s ARG 100 N -0.11 2.18 -0.15 3.49 6.06 -1.26 -5.05 118.95 124.11 1imu s ARG 100 Ca 0.13 -0.91 -0.27 0.00 -2.50 0.00 0.00 55.73 52.18 1imu s ARG 100 Cb 0.17 -2.23 -0.24 0.00 0.06 0.00 0.00 34.95 32.71 1imu s ARG 100 CO -0.07 0.56 0.65 1.25 -2.50 0.00 0.00 175.30 175.19 1imu h LEU 101 N 4.73 0.00 0.00 -0.88 5.85 -2.01 -3.50 115.31 119.50 1imu h LEU 101 Ca -0.47 -0.88 -0.08 0.00 0.84 0.00 0.00 57.88 57.29 1imu h LEU 101 Cb 1.15 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1imu h LEU 101 CO 0.48 1.06 0.01 0.29 -0.34 0.00 0.00 178.44 179.95 1imu n LYS 102 N -4.59 0.39 -2.26 1.25 4.76 -1.26 -5.11 118.16 111.34 1imu n LYS 102 Ca -0.13 -1.13 0.00 0.00 -2.87 0.00 0.00 58.31 54.18 1imu n LYS 102 Cb 0.50 1.20 0.00 0.00 -1.84 0.00 0.00 35.03 34.89 1imu n LYS 102 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1imu n ASP 103 N -1.64 -9.28 -4.68 4.39 8.00 -1.26 -5.06 116.55 107.02 1imu n ASP 103 Ca -0.01 1.73 -0.30 0.00 0.71 0.00 0.00 54.79 56.91 1imu n ASP 103 Cb 0.26 -5.08 -0.09 0.00 -0.02 0.00 0.00 41.12 36.19 1imu n ASP 103 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1imu s SER 104 N -0.57 3.98 0.55 -2.24 0.15 -1.26 -5.08 113.70 109.23 1imu s SER 104 Ca 0.00 -1.51 0.03 0.00 0.70 0.00 0.00 55.95 55.16 1imu s SER 104 Cb 0.00 0.07 0.03 0.00 -1.71 0.00 0.00 66.02 64.41 1imu s SER 104 CO 0.00 -0.66 0.24 -0.36 1.20 0.00 0.00 173.24 173.66 1imu s PHE 105 N -2.80 1.58 -0.16 3.44 0.08 -1.26 -5.09 117.98 113.77 1imu s PHE 105 Ca 0.20 -0.94 -0.12 0.00 0.12 0.00 0.00 56.93 56.19 1imu s PHE 105 Cb 0.06 -1.75 -0.05 0.00 -0.57 0.00 0.00 43.02 40.70 1imu s PHE 105 CO 0.10 -0.23 -0.18 0.39 -0.10 0.00 0.00 175.22 175.21 1imu n GLU 106 N -1.60 0.48 0.00 0.44 4.71 -1.26 -5.34 120.64 118.07 1imu n GLU 106 Ca -0.11 0.47 0.04 0.00 -0.01 0.00 0.00 57.16 57.55 1imu n GLU 106 Cb 0.66 -1.65 0.25 0.00 -1.01 0.00 0.00 31.44 29.69 1imu n GLU 106 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51