#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 0.37 -2.29 3.17 -1.04 -1.26 -4.99 114.28 108.24 1imu n THR 2 Ca 0.00 -0.60 -0.03 0.00 -2.04 0.00 0.00 64.05 61.38 1imu n THR 2 Cb 0.00 0.83 -0.03 0.00 -1.82 0.00 0.00 70.33 69.31 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 1.11 -5.42 -4.91 -4.42 0.00 -1.26 -4.74 117.00 97.35 1imu n LEU 3 Ca 0.18 1.98 -0.27 0.00 0.00 0.00 0.00 56.01 57.90 1imu n LEU 3 Cb 0.52 -2.83 0.03 0.00 0.00 0.00 0.00 43.42 41.14 1imu n LEU 3 CO 0.15 -3.00 0.56 0.20 0.00 0.00 0.00 177.39 175.29 1imu s ASN 4 N -0.52 5.62 0.29 1.96 -0.87 0.12 -4.85 114.94 116.70 1imu s ASN 4 Ca -0.17 0.78 0.05 0.00 -1.57 0.00 0.00 52.86 51.95 1imu s ASN 4 Cb 0.01 -1.77 -0.06 0.00 -0.02 0.00 0.00 41.25 39.41 1imu s ASN 4 CO 0.46 -1.07 -0.00 0.27 -2.57 0.00 0.00 177.10 174.19 1imu s ILE 5 N -3.02 1.39 0.08 0.60 -0.00 -1.26 -0.55 121.20 118.44 1imu s ILE 5 Ca 0.54 -2.06 0.00 0.00 -0.00 0.00 0.00 60.65 59.13 1imu s ILE 5 Cb -0.11 -2.59 0.00 0.00 -0.00 0.00 0.00 42.46 39.77 1imu s ILE 5 CO 0.46 -0.18 0.00 0.41 -0.00 0.00 0.00 174.94 175.63 1imu n THR 6 N -0.61 0.17 -3.07 8.37 -1.04 -1.08 -4.86 114.28 112.17 1imu n THR 6 Ca -0.04 0.06 -0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1imu n THR 6 Cb 0.65 -0.90 -0.00 0.00 -1.82 0.00 0.00 70.33 68.26 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 -2.98 -7.03 -0.20 8.00 7.64 -1.24 -4.86 113.62 112.95 1imu n SER 7 Ca 0.00 0.88 -0.07 0.00 1.01 0.00 0.00 58.87 60.69 1imu n SER 7 Cb 0.12 -1.82 0.03 0.00 -1.01 0.00 0.00 64.21 61.52 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 4.71 0.81 0.00 1.43 2.10 -1.94 -3.44 116.57 120.24 1imu h LYS 8 Ca -0.03 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 1imu h LYS 8 Cb 0.27 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1imu h LYS 8 CO 0.00 0.65 0.00 0.00 -2.00 0.00 0.00 179.45 178.11 1imu n GLN 9 N -4.56 0.00 -1.43 0.07 10.64 -1.26 -4.96 117.38 115.87 1imu n GLN 9 Ca 0.03 0.00 -0.49 0.00 -1.83 0.00 0.00 57.00 54.71 1imu n GLN 9 Cb 0.11 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.41 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 0.76 -0.42 2.61 0.00 -1.26 -4.90 117.12 113.91 1imu n MET 10 Ca 0.00 0.17 -0.29 0.00 0.00 0.00 0.00 57.70 57.59 1imu n MET 10 Cb 0.00 -2.30 0.26 0.00 0.00 0.00 0.00 33.22 31.18 1imu n MET 10 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1imu n ASP 11 N 10.30 -2.75 -4.85 3.17 5.68 -1.26 -4.78 116.55 122.06 1imu n ASP 11 Ca 0.46 -0.42 -0.35 0.00 -0.50 0.00 0.00 54.79 53.98 1imu n ASP 11 Cb 0.20 -1.10 -0.06 0.00 -1.14 0.00 0.00 41.12 39.02 1imu n ASP 11 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1imu s ILE 12 N -2.26 4.94 0.26 2.12 -0.00 -1.26 -5.04 121.20 119.96 1imu s ILE 12 Ca 0.65 0.70 -0.02 0.00 -0.00 0.00 0.00 60.65 61.98 1imu s ILE 12 Cb -0.19 -3.70 -0.02 0.00 -0.00 0.00 0.00 42.46 38.55 1imu s ILE 12 CO 0.61 0.26 0.29 0.42 -0.00 0.00 0.00 174.94 176.51 1imu s THR 13 N -1.44 0.00 0.27 8.37 -4.23 -1.26 -4.95 115.64 112.39 1imu s THR 13 Ca 0.36 -1.82 -0.09 0.00 -1.18 0.00 0.00 61.69 58.96 1imu s THR 13 Cb -0.15 -2.47 0.42 0.00 1.34 0.00 0.00 72.50 71.64 1imu s THR 13 CO 0.19 0.00 1.57 -0.65 -0.54 0.00 0.00 174.62 175.19 1imu h PRO 14 N 2.36 -0.00 0.00 3.99 0.11 -1.98 0.35 132.00 136.83 1imu h PRO 14 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1imu h PRO 14 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1imu h PRO 14 CO 0.44 -0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.23 1imu n ALA 15 N -3.55 -0.16 0.01 -0.75 0.00 -1.26 0.76 120.51 115.57 1imu n ALA 15 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.51 1imu n ALA 15 Cb 0.47 0.15 -0.05 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.96 0.00 5.03 -1.87 0.89 117.51 120.61 1imu h ILE 16 Ca 0.00 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.83 1imu h ILE 16 Cb 0.00 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 33.67 1imu h ILE 16 CO 0.00 0.00 -0.56 -1.14 -0.68 0.00 0.00 178.15 175.77 1imu n ARG 17 N -3.97 -0.42 -0.29 2.37 0.63 0.12 0.10 116.66 115.21 1imu n ARG 17 Ca -0.03 1.45 -0.00 0.00 -0.92 0.00 0.00 57.85 58.34 1imu n ARG 17 Cb 0.19 -2.13 0.19 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 1.13 0.09 -0.14 4.81 0.71 0.29 114.58 121.47 1imu h GLU 18 Ca 0.16 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1imu h GLU 18 Cb 0.40 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1imu h GLU 18 CO -0.90 0.75 -0.04 1.25 -0.73 0.00 0.00 179.01 179.34 1imu h HIS 19 N 1.17 -0.11 -0.67 0.92 2.76 0.76 0.83 115.15 120.80 1imu h HIS 19 Ca 0.32 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.62 1imu h HIS 19 Cb -0.13 0.04 -0.13 0.00 1.55 0.00 0.00 27.41 28.74 1imu h HIS 19 CO -0.00 -0.07 -0.19 -0.07 -1.30 0.00 0.00 177.93 176.30 1imu h LEU 20 N -0.13 -0.68 0.08 0.26 3.38 0.75 0.56 115.31 119.54 1imu h LEU 20 Ca -0.01 0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1imu h LEU 20 Cb 0.09 0.44 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1imu h LEU 20 CO 0.02 -0.23 -0.20 -0.33 0.09 0.00 0.00 178.44 177.79 1imu h GLU 21 N -0.02 -0.35 -0.63 1.13 5.08 -0.40 0.24 114.58 119.63 1imu h GLU 21 Ca 0.32 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.79 1imu h GLU 21 Cb 0.50 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.77 1imu h GLU 21 CO -0.70 -0.24 0.28 0.93 -1.00 0.00 0.00 179.01 178.28 1imu h GLU 22 N -0.37 0.47 -0.54 2.33 5.08 0.26 0.35 114.58 122.17 1imu h GLU 22 Ca 0.03 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1imu h GLU 22 Cb 0.40 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1imu h GLU 22 CO -0.13 0.31 0.32 0.00 -1.00 0.00 0.00 179.01 178.52 1imu h ARG 23 N 0.49 0.61 -0.40 2.33 2.47 0.74 0.31 114.38 120.92 1imu h ARG 23 Ca 0.31 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.99 1imu h ARG 23 Cb 0.35 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 1imu h ARG 23 CO -0.28 0.40 0.25 1.25 0.56 0.00 0.00 179.97 182.15 1imu h LEU 24 N 0.63 0.49 -1.53 3.04 5.85 0.10 0.33 115.31 124.22 1imu h LEU 24 Ca 0.22 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1imu h LEU 24 Cb 0.04 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1imu h LEU 24 CO -0.11 0.40 0.34 0.00 -0.34 0.00 0.00 178.44 178.73 1imu h ALA 25 N 1.11 1.69 -0.26 1.25 0.00 0.43 0.32 119.26 123.80 1imu h ALA 25 Ca 0.15 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 1imu h ALA 25 Cb -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1imu h ALA 25 CO -0.03 0.28 -0.56 -0.22 0.00 0.00 0.00 179.25 178.72 1imu h LYS 26 N 0.64 0.80 0.00 0.00 1.63 0.73 -2.65 116.57 117.72 1imu h LYS 26 Ca 0.19 -0.51 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 1imu h LYS 26 Cb -0.01 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1imu h LYS 26 CO -0.05 1.14 0.00 1.28 -3.45 0.00 0.00 179.45 178.38 1imu n LEU 27 N -3.99 0.00 0.11 5.20 4.77 0.10 -3.28 117.00 119.92 1imu n LEU 27 Ca -0.04 0.47 0.03 0.00 -0.03 0.00 0.00 56.01 56.44 1imu n LEU 27 Cb 0.63 -0.47 0.40 0.00 -2.33 0.00 0.00 43.42 41.65 1imu n LEU 27 CO 0.50 -0.07 0.93 1.23 -1.33 0.00 0.00 177.39 178.64 1imu h GLY 28 N 4.21 0.29 1.84 -0.72 0.00 -0.04 -1.53 103.07 107.12 1imu h GLY 28 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1imu h GLY 28 CO 0.00 0.15 0.00 0.58 0.00 0.00 0.00 176.54 177.27 1imu n LYS 29 N -4.31 0.16 -2.56 4.80 2.85 -1.20 -4.63 118.16 113.27 1imu n LYS 29 Ca -0.00 0.01 -0.41 0.00 -1.05 0.00 0.00 58.31 56.86 1imu n LYS 29 Cb 0.23 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.08 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 -2.84 2.46 0.00 5.58 0.52 -0.58 -4.84 118.94 119.25 1imu s TRP 30 Ca 0.19 -0.63 0.00 0.00 0.02 0.00 0.00 56.10 55.68 1imu s TRP 30 Cb 0.19 -4.68 0.00 0.00 -1.15 0.00 0.00 33.47 27.83 1imu s TRP 30 CO 0.49 -1.98 0.19 0.00 0.02 0.00 0.00 176.95 175.67 1imu n GLN 31 N 9.02 0.00 -3.85 4.98 0.00 -1.26 -4.67 117.38 121.59 1imu n GLN 31 Ca 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 57.00 57.18 1imu n GLN 31 Cb 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 30.24 30.53 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 0.07 0.00 -0.31 -0.39 2.01 -1.26 -4.99 115.64 110.77 1imu s THR 32 Ca 0.00 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 60.99 1imu s THR 32 Cb 0.00 -2.15 0.07 0.00 0.01 0.00 0.00 72.50 70.42 1imu s THR 32 CO 0.00 0.00 0.00 -1.10 -0.69 0.00 0.00 174.62 172.83 1imu s GLN 33 N -3.64 2.20 -1.20 4.92 1.11 -1.26 -5.00 119.66 116.78 1imu s GLN 33 Ca 0.12 -1.44 -0.11 0.00 0.01 0.00 0.00 55.36 53.94 1imu s GLN 33 Cb -0.06 -3.16 -0.07 0.00 -1.01 0.00 0.00 33.01 28.72 1imu s GLN 33 CO 0.08 -0.71 2.36 1.28 0.01 0.00 0.00 175.29 178.31 1imu n LEU 34 N 4.52 6.29 -4.57 2.90 7.99 -1.26 -3.75 117.00 129.11 1imu n LEU 34 Ca -0.10 -3.54 -0.44 0.00 -0.01 0.00 0.00 56.01 51.93 1imu n LEU 34 Cb 0.43 -1.33 -0.04 0.00 -0.11 0.00 0.00 43.42 42.37 1imu n LEU 34 CO 0.25 0.99 1.86 -0.38 -1.51 0.00 0.00 177.39 178.61 1imu n ILE 35 N 4.44 0.29 -3.14 -0.08 5.41 0.37 -3.78 119.36 122.87 1imu n ILE 35 Ca 0.57 -0.46 -0.04 0.00 1.00 0.00 0.00 62.75 63.82 1imu n ILE 35 Cb 0.24 -2.45 0.00 0.00 -0.71 0.00 0.00 39.64 36.72 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 11.78 -6.73 -4.69 4.38 2.88 -1.26 -0.42 113.62 119.55 1imu n SER 36 Ca 0.32 0.52 -0.37 0.00 -1.33 0.00 0.00 58.87 58.01 1imu n SER 36 Cb 0.42 -2.28 -0.08 0.00 -0.75 0.00 0.00 64.21 61.53 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 -1.28 4.19 0.38 -1.46 0.04 -1.25 -3.67 135.00 131.95 1imu s PRO 37 Ca 0.04 0.08 0.05 0.00 0.04 0.00 0.00 61.00 61.22 1imu s PRO 37 Cb -0.01 -3.50 -0.07 0.00 0.04 0.00 0.00 34.50 30.97 1imu s PRO 37 CO 0.23 0.08 0.04 -1.01 0.04 0.00 0.00 177.00 176.38 1imu s HIS 38 N 0.96 2.20 -0.28 0.56 3.76 0.19 0.15 115.29 122.84 1imu s HIS 38 Ca 0.16 -0.84 0.01 0.00 -0.15 0.00 0.00 55.06 54.24 1imu s HIS 38 Cb -0.14 -1.52 0.15 0.00 1.11 0.00 0.00 32.58 32.18 1imu s HIS 38 CO 0.06 0.21 0.39 -0.06 -0.85 0.00 0.00 174.74 174.49 1imu s PHE 39 N -3.01 -0.93 -0.88 1.40 0.40 0.29 -1.69 117.98 113.56 1imu s PHE 39 Ca 0.34 0.41 -0.20 0.00 -0.60 0.00 0.00 56.93 56.87 1imu s PHE 39 Cb 0.09 -0.14 0.11 0.00 0.51 0.00 0.00 43.02 43.59 1imu s PHE 39 CO 0.16 -0.92 1.13 0.08 0.70 0.00 0.00 175.22 176.37 1imu s VAL 40 N 2.53 4.57 -0.01 -0.44 1.01 0.51 -2.63 120.40 125.94 1imu s VAL 40 Ca 0.10 -1.25 -0.14 0.00 0.00 0.00 0.00 61.98 60.69 1imu s VAL 40 Cb -0.13 -4.79 -0.06 0.00 0.00 0.00 0.00 36.38 31.40 1imu s VAL 40 CO -0.27 -1.54 0.39 -0.22 0.00 0.00 0.00 175.10 173.46 1imu s LEU 41 N 3.19 4.47 0.15 3.92 2.96 -1.26 -0.02 118.68 132.10 1imu s LEU 41 Ca 0.32 0.93 -0.13 0.00 -0.22 0.00 0.00 54.13 55.02 1imu s LEU 41 Cb -0.07 -2.55 0.01 0.00 0.50 0.00 0.00 46.19 44.08 1imu s LEU 41 CO -0.06 0.33 0.37 0.20 -1.32 0.00 0.00 176.35 175.87 1imu s ASN 42 N -1.08 -0.10 0.24 3.68 0.01 0.29 -3.26 114.94 114.72 1imu s ASN 42 Ca 0.23 -0.59 0.05 0.00 -0.71 0.00 0.00 52.86 51.85 1imu s ASN 42 Cb -0.16 0.47 -0.05 0.00 0.41 0.00 0.00 41.25 41.92 1imu s ASN 42 CO 0.13 -0.91 -0.05 -0.75 -1.51 0.00 0.00 177.10 174.01 1imu s LYS 43 N -3.88 1.41 0.11 -0.60 2.20 -1.25 -0.18 119.74 117.54 1imu s LYS 43 Ca 0.10 -1.70 -0.20 0.00 -0.36 0.00 0.00 55.97 53.80 1imu s LYS 43 Cb 0.02 -0.91 0.05 0.00 -1.51 0.00 0.00 37.83 35.48 1imu s LYS 43 CO -0.05 0.00 0.50 0.14 -0.36 0.00 0.00 175.35 175.58 1imu s VAL 44 N -3.18 0.04 0.26 4.02 -7.23 0.29 -4.65 120.40 109.94 1imu s VAL 44 Ca 0.27 -0.30 -0.02 0.00 -1.81 0.00 0.00 61.98 60.13 1imu s VAL 44 Cb 0.04 -1.05 0.25 0.00 0.56 0.00 0.00 36.38 36.17 1imu s VAL 44 CO 0.09 -0.16 1.70 -0.65 -0.31 0.00 0.00 175.10 175.77 1imu h PRO 45 N 2.41 0.36 -0.02 4.82 0.11 -2.02 0.29 132.00 137.95 1imu h PRO 45 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1imu h PRO 45 Cb 1.26 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1imu h PRO 45 CO 0.42 0.24 0.00 0.09 -0.21 0.00 0.00 178.00 178.54 1imu n ASN 46 N -5.07 0.17 0.00 -2.05 4.13 -1.26 -4.98 115.26 106.20 1imu n ASN 46 Ca 0.17 -1.55 0.00 0.00 1.68 0.00 0.00 54.58 54.88 1imu n ASN 46 Cb 0.50 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.73 1imu n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1imu n GLY 47 N 0.77 0.10 3.03 7.41 0.00 0.10 -4.30 105.19 112.31 1imu n GLY 47 Ca 0.12 -1.11 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 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 1.43 -0.23 1.61 0.40 0.66 0.11 117.98 117.96 1imu s PHE 48 Ca 0.00 -0.51 -0.06 0.00 -0.60 0.00 0.00 56.93 55.77 1imu s PHE 48 Cb 0.00 -1.04 -0.02 0.00 0.51 0.00 0.00 43.02 42.47 1imu s PHE 48 CO 0.00 -0.26 0.02 -1.54 0.70 0.00 0.00 175.22 174.14 1imu s SER 49 N 0.60 4.76 0.08 1.36 1.04 0.74 -0.72 113.70 121.57 1imu s SER 49 Ca -0.13 -0.28 0.06 0.00 0.48 0.00 0.00 55.95 56.08 1imu s SER 49 Cb -0.15 -1.84 -0.03 0.00 0.10 0.00 0.00 66.02 64.10 1imu s SER 49 CO 0.03 -0.02 -0.17 0.54 0.98 0.00 0.00 173.24 174.60 1imu s VAL 50 N 1.50 1.39 -0.15 5.02 0.11 0.72 0.11 120.40 129.09 1imu s VAL 50 Ca 0.06 -1.36 -0.11 0.00 -2.93 0.00 0.00 61.98 57.64 1imu s VAL 50 Cb -0.15 -1.29 0.05 0.00 -1.53 0.00 0.00 36.38 33.47 1imu s VAL 50 CO 0.01 -0.10 0.39 -0.70 -3.33 0.00 0.00 175.10 171.36 1imu s GLU 51 N -1.70 0.41 0.28 1.54 2.12 0.98 0.31 118.70 122.64 1imu s GLU 51 Ca 0.02 0.64 0.11 0.00 0.36 0.00 0.00 54.97 56.11 1imu s GLU 51 Cb -0.10 0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.33 1imu s GLU 51 CO 0.03 -0.11 -0.15 0.00 -0.54 0.00 0.00 175.26 174.49 1imu s ALA 52 N 0.79 2.86 -0.23 6.30 0.00 0.15 0.19 121.76 131.82 1imu s ALA 52 Ca -0.05 -1.86 -0.06 0.00 0.00 0.00 0.00 51.96 50.00 1imu s ALA 52 Cb -0.06 -0.34 0.12 0.00 0.00 0.00 0.00 23.12 22.84 1imu s ALA 52 CO -0.06 0.25 0.45 -1.54 0.00 0.00 0.00 175.76 174.87 1imu s SER 53 N -3.56 -0.34 -0.01 0.00 1.04 -0.68 0.09 113.70 110.23 1imu s SER 53 Ca 0.31 0.86 0.02 0.00 0.48 0.00 0.00 55.95 57.61 1imu s SER 53 Cb -0.05 1.48 0.00 0.00 0.10 0.00 0.00 66.02 67.56 1imu s SER 53 CO 0.16 -0.25 -0.06 -0.63 0.98 0.00 0.00 173.24 173.44 1imu s ILE 54 N 2.65 0.52 0.03 -1.02 1.01 0.13 0.56 121.20 125.10 1imu s ILE 54 Ca 0.04 -0.24 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 1imu s ILE 54 Cb -0.13 -0.47 -0.06 0.00 0.01 0.00 0.00 42.46 41.81 1imu s ILE 54 CO -0.15 0.17 0.43 -0.83 0.00 0.00 0.00 174.94 174.56 1imu s GLY 55 N 0.13 2.47 -0.01 6.18 0.00 0.44 0.12 107.32 116.64 1imu s GLY 55 Ca -0.01 -0.21 0.04 0.00 0.00 0.00 0.00 44.72 44.53 1imu s GLY 55 CO -0.00 0.12 -0.13 -0.51 0.00 0.00 0.00 173.10 172.59 1imu s THR 56 N -1.17 1.00 0.30 0.90 -4.23 -1.22 0.14 115.64 111.35 1imu s THR 56 Ca 0.27 -0.54 0.28 0.00 -1.18 0.00 0.00 61.69 60.52 1imu s THR 56 Cb -0.16 -0.84 0.28 0.00 1.34 0.00 0.00 72.50 73.12 1imu s THR 56 CO 0.15 0.28 1.83 -0.65 -0.54 0.00 0.00 174.62 175.69 1imu h PRO 57 N 5.86 0.00 0.00 3.99 0.11 -1.98 0.50 132.00 140.47 1imu h PRO 57 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1imu h PRO 57 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1imu h PRO 57 CO 0.49 0.00 -1.24 1.28 -0.21 0.00 0.00 178.00 178.32 1imu n LEU 58 N -2.59 0.56 0.00 2.35 4.32 -1.26 -5.00 117.00 115.38 1imu n LEU 58 Ca -0.02 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 1imu n LEU 58 Cb 0.20 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.94 1imu n LEU 58 CO 0.12 -0.05 0.00 0.61 -1.22 0.00 0.00 177.39 176.85 1imu n GLY 59 N 1.27 3.72 3.14 -0.72 0.00 0.18 -5.06 105.19 107.73 1imu n GLY 59 Ca -0.00 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1imu n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1imu n ASN 60 N 0.00 -3.40 -3.82 1.61 4.13 -1.25 -3.43 115.26 109.11 1imu n ASN 60 Ca 0.00 0.06 -0.12 0.00 1.68 0.00 0.00 54.58 56.20 1imu n ASN 60 Cb 0.00 -0.80 -0.13 0.00 -1.54 0.00 0.00 39.78 37.31 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 3.99 1.38 0.04 3.41 1.02 0.31 -4.73 118.68 124.11 1imu s LEU 61 Ca 0.46 0.31 -0.06 0.00 0.02 0.00 0.00 54.13 54.86 1imu s LEU 61 Cb -0.07 0.52 -0.01 0.00 0.02 0.00 0.00 46.19 46.65 1imu s LEU 61 CO 0.70 -0.06 0.11 -0.76 0.02 0.00 0.00 176.35 176.37 1imu s LEU 62 N 0.13 1.73 0.06 1.79 2.01 -1.26 0.22 118.68 123.37 1imu s LEU 62 Ca -0.00 -0.52 -0.15 0.00 0.01 0.00 0.00 54.13 53.46 1imu s LEU 62 Cb -0.02 0.67 0.03 0.00 0.01 0.00 0.00 46.19 46.89 1imu s LEU 62 CO -0.00 -0.53 0.35 0.00 1.01 0.00 0.00 176.35 177.18 1imu s ALA 63 N -2.71 -0.81 -0.29 4.21 0.00 0.11 -4.71 121.76 117.57 1imu s ALA 63 Ca -0.04 0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.80 1imu s ALA 63 Cb -0.01 0.41 0.13 0.00 0.00 0.00 0.00 23.12 23.65 1imu s ALA 63 CO -0.05 -0.48 0.93 -1.54 0.00 0.00 0.00 175.76 174.62 1imu s SER 64 N -2.23 -0.58 -0.01 0.00 1.04 -1.26 0.29 113.70 110.95 1imu s SER 64 Ca -0.03 0.96 -0.14 0.00 0.48 0.00 0.00 55.95 57.21 1imu s SER 64 Cb 0.00 1.19 0.02 0.00 0.10 0.00 0.00 66.02 67.33 1imu s SER 64 CO -0.05 -0.15 0.30 0.00 0.98 0.00 0.00 173.24 174.32 1imu s ALA 65 N 1.18 -0.76 -0.10 5.32 0.00 0.15 -4.93 121.76 122.62 1imu s ALA 65 Ca -0.07 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1imu s ALA 65 Cb -0.04 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.17 1imu s ALA 65 CO -0.14 -0.26 -0.14 0.99 0.00 0.00 0.00 175.76 176.22 1imu s THR 66 N -1.33 1.36 0.18 0.00 2.01 -1.26 -0.20 115.64 116.41 1imu s THR 66 Ca -0.14 -0.56 -0.23 0.00 0.31 0.00 0.00 61.69 61.07 1imu s THR 66 Cb -0.05 -1.26 0.06 0.00 0.01 0.00 0.00 72.50 71.26 1imu s THR 66 CO 0.04 0.41 0.69 -0.44 -0.69 0.00 0.00 174.62 174.64 1imu s SER 67 N 1.02 -0.42 0.00 3.53 0.01 0.10 -4.90 113.70 113.04 1imu s SER 67 Ca -0.07 -0.23 0.05 0.00 1.31 0.00 0.00 55.95 57.01 1imu s SER 67 Cb -0.15 0.61 0.25 0.00 0.21 0.00 0.00 66.02 66.94 1imu s SER 67 CO -0.01 -1.06 1.16 0.47 0.41 0.00 0.00 173.24 174.21 1imu n ASP 68 N -0.40 0.11 -3.85 2.44 8.00 -1.26 0.24 116.55 121.82 1imu n ASP 68 Ca -0.11 -1.88 -0.30 0.00 0.71 0.00 0.00 54.79 53.21 1imu n ASP 68 Cb 0.62 -0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 41.57 1imu n ASP 68 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1imu s ASP 69 N -1.12 4.28 0.00 -2.24 1.01 -1.26 -4.84 116.67 112.49 1imu s ASP 69 Ca 0.07 -2.06 0.00 0.00 0.71 0.00 0.00 52.55 51.27 1imu s ASP 69 Cb 0.03 -1.23 0.00 0.00 1.01 0.00 0.00 42.92 42.73 1imu s ASP 69 CO 0.05 -0.37 0.85 0.80 0.21 0.00 0.00 175.17 176.71 1imu n MET 70 N 4.33 0.00 0.26 8.23 0.00 -1.26 0.16 117.12 128.84 1imu n MET 70 Ca 0.02 0.85 0.18 0.00 -0.00 0.00 0.00 57.70 58.75 1imu n MET 70 Cb 0.40 -1.32 0.86 0.00 0.00 0.00 0.00 33.22 33.16 1imu n MET 70 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 175.97 177.85 1imu h TYR 71 N 0.00 0.00 0.14 1.12 -1.99 -1.97 0.45 116.97 114.72 1imu h TYR 71 Ca 0.00 0.00 -0.29 0.00 2.00 0.00 0.00 58.73 60.44 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 -0.71 0.00 -1.27 -0.22 -0.00 0.00 0.00 178.16 175.96 1imu h LYS 72 N 0.00 0.48 -0.44 4.88 1.63 -1.25 1.13 116.57 123.00 1imu h LYS 72 Ca 0.00 -0.71 -0.01 0.00 -0.85 0.00 0.00 60.65 59.08 1imu h LYS 72 Cb 0.21 0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 1imu h LYS 72 CO 0.00 1.32 0.23 0.00 -3.45 0.00 0.00 179.45 177.55 1imu h ALA 73 N 0.39 0.56 -0.62 5.00 0.00 0.31 1.47 119.26 126.37 1imu h ALA 73 Ca -0.18 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1imu h ALA 73 Cb 1.96 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 1imu h ALA 73 CO 0.23 0.10 0.11 0.82 0.00 0.00 0.00 179.25 180.51 1imu h ILE 74 N 0.57 1.25 -0.86 0.00 5.03 -0.95 0.38 117.51 122.93 1imu h ILE 74 Ca 0.15 -0.97 0.09 0.00 -0.12 0.00 0.00 64.86 64.02 1imu h ILE 74 Cb 0.08 0.66 -0.06 0.00 -3.03 0.00 0.00 36.82 34.46 1imu h ILE 74 CO -0.02 0.36 0.56 -1.13 -0.68 0.00 0.00 178.15 177.24 1imu h ASN 75 N 0.94 0.76 0.16 1.72 -0.73 0.35 0.78 115.58 119.57 1imu h ASN 75 Ca 0.19 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.37 1imu h ASN 75 Cb 0.39 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.85 1imu h ASN 75 CO 0.01 0.45 -0.08 -0.08 -0.37 0.00 0.00 177.43 177.36 1imu h GLU 76 N 0.84 -0.21 -0.59 6.67 4.81 0.36 -3.02 114.58 123.44 1imu h GLU 76 Ca 0.40 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.74 1imu h GLU 76 Cb 0.41 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.73 1imu h GLU 76 CO -0.16 0.17 -0.37 0.28 -0.73 0.00 0.00 179.01 178.20 1imu h VAL 77 N -0.93 0.14 -0.80 0.32 2.07 0.13 0.82 116.25 118.00 1imu h VAL 77 Ca -0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.66 1imu h VAL 77 Cb 0.48 0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 1imu h VAL 77 CO 0.04 0.00 0.53 -0.08 0.02 0.00 0.00 177.57 178.08 1imu h GLU 78 N -0.18 0.42 -0.31 1.57 4.22 -0.97 0.60 114.58 119.93 1imu h GLU 78 Ca 0.22 -0.03 -0.10 0.00 0.08 0.00 0.00 59.36 59.53 1imu h GLU 78 Cb 0.56 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1imu h GLU 78 CO -0.68 0.28 -0.20 1.49 -2.18 0.00 0.00 179.01 177.71 1imu h GLU 79 N 0.43 0.68 -0.12 1.92 4.22 0.63 0.34 114.58 122.68 1imu h GLU 79 Ca 0.40 -0.32 -0.02 0.00 0.08 0.00 0.00 59.36 59.50 1imu h GLU 79 Cb 0.92 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1imu h GLU 79 CO -0.14 0.92 -0.01 -0.22 -2.18 0.00 0.00 179.01 177.39 1imu h LYS 80 N 0.43 0.22 -0.52 1.92 3.64 0.19 0.71 116.57 123.16 1imu h LYS 80 Ca 0.06 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1imu h LYS 80 Cb 0.75 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1imu h LYS 80 CO 0.06 0.48 0.26 -0.07 -2.27 0.00 0.00 179.45 177.91 1imu h LEU 81 N -0.07 0.67 -0.15 5.20 -0.00 0.08 0.34 115.31 121.39 1imu h LEU 81 Ca 0.03 -0.12 -0.03 0.00 -0.00 0.00 0.00 57.88 57.76 1imu h LEU 81 Cb 0.39 -0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 40.87 1imu h LEU 81 CO 0.01 0.61 -0.04 -0.08 -0.00 0.00 0.00 178.44 178.94 1imu h GLU 82 N 0.70 0.28 -0.72 1.13 4.81 -0.25 0.19 114.58 120.72 1imu h GLU 82 Ca 0.18 -0.11 0.09 0.00 -0.13 0.00 0.00 59.36 59.39 1imu h GLU 82 Cb 0.10 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.40 1imu h GLU 82 CO -0.02 0.57 0.37 0.00 -0.73 0.00 0.00 179.01 179.19 1imu h ARG 83 N -0.02 0.61 -0.41 1.92 2.47 0.65 0.25 114.38 119.85 1imu h ARG 83 Ca 0.04 -0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 58.63 1imu h ARG 83 Cb 0.46 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.63 1imu h ARG 83 CO 0.01 0.40 -0.10 1.96 0.56 0.00 0.00 179.97 182.81 1imu h GLN 84 N 0.63 0.72 0.30 0.04 4.20 -0.14 0.32 115.11 121.19 1imu h GLN 84 Ca 0.35 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1imu h GLN 84 Cb 0.35 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1imu h GLN 84 CO -0.26 0.80 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.42 1imu h LEU 85 N 0.66 -0.54 -0.90 1.46 3.38 0.21 0.79 115.31 120.37 1imu h LEU 85 Ca 0.12 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1imu h LEU 85 Cb 0.55 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1imu h LEU 85 CO 0.03 -0.33 0.52 -1.13 0.09 0.00 0.00 178.44 177.62 1imu h ASN 86 N -0.51 1.10 -0.36 -0.43 -1.24 -0.44 -0.25 115.58 113.45 1imu h ASN 86 Ca -0.03 -0.08 0.01 0.00 0.71 0.00 0.00 56.30 56.91 1imu h ASN 86 Cb 0.44 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 1imu h ASN 86 CO 0.01 0.86 0.23 0.50 -1.29 0.00 0.00 177.43 177.74 1imu h LYS 87 N 1.25 0.45 0.31 6.67 3.64 0.22 0.55 116.57 129.66 1imu h LYS 87 Ca 0.32 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1imu h LYS 87 Cb -0.02 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1imu h LYS 87 CO -0.06 0.30 -0.19 1.25 -2.27 0.00 0.00 179.45 178.48 1imu h LEU 88 N 0.46 -0.48 -1.96 5.20 7.12 0.12 0.68 115.31 126.46 1imu h LEU 88 Ca 0.14 0.03 0.28 0.00 0.13 0.00 0.00 57.88 58.45 1imu h LEU 88 Cb -0.03 0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 40.20 1imu h LEU 88 CO -0.04 -0.29 0.69 1.56 -0.13 0.00 0.00 178.44 180.23 1imu h GLN 89 N -0.47 0.03 0.02 1.25 4.20 -1.00 -2.52 115.11 116.62 1imu h GLN 89 Ca -0.04 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1imu h GLN 89 Cb 0.37 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1imu h GLN 89 CO 0.04 0.02 -0.01 0.45 -0.67 0.00 0.00 178.83 178.66 1imu h HIS 90 N 0.03 -0.02 -5.55 2.96 3.86 0.80 -3.50 115.15 113.72 1imu h HIS 90 Ca 0.47 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.68 1imu h HIS 90 Cb 1.81 0.01 -0.07 0.00 1.06 0.00 0.00 27.41 30.22 1imu h HIS 90 CO -0.00 -0.01 -0.90 1.17 0.86 0.00 0.00 177.93 179.04 1imu n LYS 91 N -2.13 -2.99 -0.05 2.45 3.00 0.23 -4.95 118.16 113.71 1imu n LYS 91 Ca -0.00 2.40 -0.09 0.00 -0.00 0.00 0.00 58.31 60.62 1imu n LYS 91 Cb 0.01 -3.18 -0.15 0.00 0.00 0.00 0.00 35.03 31.72 1imu n LYS 91 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1imu n SER 92 N 1.96 0.53 -1.16 3.14 3.41 -1.26 -4.97 113.62 115.27 1imu n SER 92 Ca -0.21 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1imu n SER 92 Cb 0.35 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 1imu n SER 92 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1imu n GLU 93 N -2.92 2.07 -3.48 4.33 0.00 -1.26 -5.13 120.64 114.25 1imu n GLU 93 Ca -0.23 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 56.75 1imu n GLU 93 Cb 1.08 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 32.39 1imu n GLU 93 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1imu s SER 94 N -0.81 1.47 -0.03 -1.84 1.04 -1.26 -5.13 113.70 107.13 1imu s SER 94 Ca 0.00 -0.31 -0.26 0.00 0.48 0.00 0.00 55.95 55.86 1imu s SER 94 Cb 0.00 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 1imu s SER 94 CO 0.00 -0.34 0.81 -0.13 0.98 0.00 0.00 173.24 174.57 1imu s ARG 95 N 2.32 4.49 -0.34 4.02 0.52 -1.26 -4.49 118.95 124.22 1imu s ARG 95 Ca 0.07 1.10 -0.05 0.00 -0.52 0.00 0.00 55.73 56.33 1imu s ARG 95 Cb -0.16 -3.44 0.01 0.00 0.52 0.00 0.00 34.95 31.88 1imu s ARG 95 CO -0.15 0.04 0.18 0.54 0.02 0.00 0.00 175.30 175.94 1imu n ARG 96 N 3.74 -3.06 -1.81 3.54 1.74 -1.26 -5.01 116.66 114.54 1imu n ARG 96 Ca 0.01 2.52 -0.03 0.00 -0.77 0.00 0.00 57.85 59.58 1imu n ARG 96 Cb 0.51 -5.35 0.02 0.00 -1.02 0.00 0.00 32.46 26.62 1imu n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1imu n ALA 97 N 0.37 3.20 -2.75 7.54 0.00 -1.26 -5.08 120.51 122.53 1imu n ALA 97 Ca 0.04 -1.18 -0.43 0.00 0.00 0.00 0.00 53.44 51.88 1imu n ALA 97 Cb 0.14 -0.60 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 1imu n ALA 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1imu s ASP 98 N -1.42 6.21 -0.32 0.00 1.01 -1.26 -4.98 116.67 115.92 1imu s ASP 98 Ca 0.10 -0.73 0.02 0.00 0.71 0.00 0.00 52.55 52.65 1imu s ASP 98 Cb 0.23 -2.45 0.09 0.00 1.01 0.00 0.00 42.92 41.80 1imu s ASP 98 CO -0.07 -1.48 0.05 -0.70 0.21 0.00 0.00 175.17 173.17 1imu s GLU 99 N 4.41 1.31 0.57 8.23 2.12 -1.26 -5.06 118.70 129.02 1imu s GLU 99 Ca 0.27 -1.55 0.00 0.00 0.36 0.00 0.00 54.97 54.05 1imu s GLU 99 Cb -0.14 -2.80 0.00 0.00 0.26 0.00 0.00 34.13 31.45 1imu s GLU 99 CO 0.13 -0.91 0.00 -2.13 -0.54 0.00 0.00 175.26 171.82 1imu n ARG 100 N 4.46 -3.14 -4.00 4.30 3.00 -1.26 -5.01 116.66 115.00 1imu n ARG 100 Ca 0.00 2.53 -0.25 0.00 -0.00 0.00 0.00 57.85 60.13 1imu n ARG 100 Cb 0.42 -3.69 -0.04 0.00 0.00 0.00 0.00 32.46 29.15 1imu n ARG 100 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1imu n LEU 101 N -4.23 0.00 -2.50 6.15 -0.00 -1.26 -4.99 117.00 110.17 1imu n LEU 101 Ca -0.08 -2.54 -0.02 0.00 -0.00 0.00 0.00 56.01 53.37 1imu n LEU 101 Cb 0.65 0.22 -0.02 0.00 -0.00 0.00 0.00 43.42 44.27 1imu n LEU 101 CO 0.03 -0.40 -0.49 1.17 -0.00 0.00 0.00 177.39 177.70 1imu n LYS 102 N -1.15 -3.42 -3.28 1.47 3.00 -1.26 -4.93 118.16 108.59 1imu n LYS 102 Ca -0.14 2.72 -0.47 0.00 -0.00 0.00 0.00 58.31 60.43 1imu n LYS 102 Cb 0.52 -4.68 -0.02 0.00 0.00 0.00 0.00 35.03 30.85 1imu n LYS 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1imu s ASP 103 N -1.07 6.68 0.38 3.14 1.01 -1.26 -4.98 116.67 120.56 1imu s ASP 103 Ca -0.10 -2.50 0.00 0.00 0.71 0.00 0.00 52.55 50.66 1imu s ASP 103 Cb 0.01 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.71 1imu s ASP 103 CO 0.68 -0.67 0.00 -0.24 0.21 0.00 0.00 175.17 175.15 1imu n SER 104 N 4.43 -8.71 -0.02 0.27 2.88 -1.26 -4.78 113.62 106.42 1imu n SER 104 Ca 0.11 0.69 -0.01 0.00 -1.33 0.00 0.00 58.87 58.33 1imu n SER 104 Cb 0.46 -4.50 -0.00 0.00 -0.75 0.00 0.00 64.21 59.42 1imu n SER 104 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1imu h PHE 105 N -1.37 0.00 -4.07 0.66 -1.00 -2.04 -3.51 116.94 105.61 1imu h PHE 105 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1imu h PHE 105 Cb 1.34 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.90 1imu h PHE 105 CO -2.67 0.00 -0.87 -1.91 -1.61 0.00 0.00 178.31 171.25 1imu n GLU 106 N -3.10 -5.08 0.00 1.51 4.07 -1.26 -5.24 120.64 111.54 1imu n GLU 106 Ca -0.02 3.65 0.11 0.00 -0.06 0.00 0.00 57.16 60.84 1imu n GLU 106 Cb 0.07 -3.92 0.66 0.00 -0.06 0.00 0.00 31.44 28.19 1imu n GLU 106 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36