#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 0.00 -1.83 3.17 -1.04 -1.26 -4.62 114.28 108.70 1imu n THR 2 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1imu n THR 2 Cb 0.00 -0.12 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 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 0.00 -1.97 -4.90 -4.42 0.00 -1.26 -4.92 117.00 99.52 1imu n LEU 3 Ca 0.00 0.67 -0.28 0.00 0.00 0.00 0.00 56.01 56.41 1imu n LEU 3 Cb 0.00 -1.05 -0.00 0.00 0.00 0.00 0.00 43.42 42.37 1imu n LEU 3 CO 0.00 -1.59 0.45 0.20 0.00 0.00 0.00 177.39 176.44 1imu s ASN 4 N 0.00 6.28 0.14 1.96 0.01 0.12 -4.80 114.94 118.64 1imu s ASN 4 Ca 0.00 0.94 0.08 0.00 -0.71 0.00 0.00 52.86 53.18 1imu s ASN 4 Cb 0.00 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 1imu s ASN 4 CO 0.00 -0.57 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.20 1imu s ILE 5 N -2.72 1.74 -0.47 0.60 1.09 -1.26 -0.19 121.20 119.98 1imu s ILE 5 Ca 0.48 -1.76 0.06 0.00 -1.10 0.00 0.00 60.65 58.33 1imu s ILE 5 Cb -0.10 -1.71 0.24 0.00 -1.06 0.00 0.00 42.46 39.83 1imu s ILE 5 CO 0.44 -0.23 0.81 0.41 -0.10 0.00 0.00 174.94 176.27 1imu n THR 6 N 0.61 -0.14 -2.77 2.92 -1.04 -0.41 -4.83 114.28 108.62 1imu n THR 6 Ca -0.16 -1.95 -0.37 0.00 -2.04 0.00 0.00 64.05 59.53 1imu n THR 6 Cb 0.56 0.82 -0.06 0.00 -1.82 0.00 0.00 70.33 69.82 1imu n THR 6 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1imu s SER 7 N -1.46 7.37 -0.03 8.00 0.01 -1.26 -4.10 113.70 122.23 1imu s SER 7 Ca 0.32 1.87 -0.24 0.00 1.31 0.00 0.00 55.95 59.21 1imu s SER 7 Cb 0.21 -2.58 -0.21 0.00 0.21 0.00 0.00 66.02 63.64 1imu s SER 7 CO -0.21 -0.04 1.13 0.07 0.41 0.00 0.00 173.24 174.59 1imu h LYS 8 N 3.31 0.15 0.00 12.44 2.10 -1.88 -3.46 116.57 129.24 1imu h LYS 8 Ca -0.47 -0.12 0.00 0.00 -2.00 0.00 0.00 60.65 58.06 1imu h LYS 8 Cb 1.19 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1imu h LYS 8 CO 0.65 0.79 0.00 0.00 -2.00 0.00 0.00 179.45 178.89 1imu n GLN 9 N -4.61 0.00 -1.41 0.07 10.64 -1.26 -4.96 117.38 115.85 1imu n GLN 9 Ca -0.09 0.00 -0.51 0.00 -1.83 0.00 0.00 57.00 54.57 1imu n GLN 9 Cb 0.41 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.71 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 -0.49 0.78 -0.15 2.61 0.00 -1.26 -4.90 117.12 113.71 1imu n MET 10 Ca 0.00 0.20 -0.18 0.00 0.00 0.00 0.00 57.70 57.71 1imu n MET 10 Cb 0.00 -2.25 0.18 0.00 0.00 0.00 0.00 33.22 31.15 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 9.74 -3.31 -4.81 3.17 9.92 -1.26 -4.72 116.55 125.27 1imu n ASP 11 Ca 0.46 -0.53 -0.36 0.00 -0.53 0.00 0.00 54.79 53.82 1imu n ASP 11 Cb 0.18 -0.61 -0.07 0.00 -0.64 0.00 0.00 41.12 39.97 1imu n ASP 11 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1imu s ILE 12 N -1.67 5.35 0.33 0.53 -1.09 -1.26 -5.00 121.20 118.40 1imu s ILE 12 Ca 0.40 0.16 0.06 0.00 -2.23 0.00 0.00 60.65 59.04 1imu s ILE 12 Cb -0.07 -3.36 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 1imu s ILE 12 CO 0.34 0.56 0.32 0.35 -1.23 0.00 0.00 174.94 175.28 1imu n THR 13 N 2.47 0.00 -0.27 2.92 -2.24 -1.26 -4.94 114.28 110.96 1imu n THR 13 Ca -0.19 -2.32 0.03 0.00 -2.27 0.00 0.00 64.05 59.30 1imu n THR 13 Cb 0.54 1.19 0.11 0.00 -2.10 0.00 0.00 70.33 70.07 1imu n THR 13 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1imu h PRO 14 N 0.00 0.01 0.00 -0.78 0.11 -1.98 0.30 132.00 129.66 1imu h PRO 14 Ca -0.24 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1imu h PRO 14 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1imu h PRO 14 CO 0.35 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.14 1imu n ALA 15 N -3.25 -0.13 -0.04 -0.75 0.00 -1.26 0.32 120.51 115.40 1imu n ALA 15 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 1imu n ALA 15 Cb 0.41 0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.78 0.00 5.03 -1.91 1.02 117.51 120.87 1imu h ILE 16 Ca 0.00 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.81 1imu h ILE 16 Cb 0.00 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 33.69 1imu h ILE 16 CO 0.00 0.00 -0.48 -0.09 -0.68 0.00 0.00 178.15 176.90 1imu h ARG 17 N -0.32 -0.02 -0.99 2.37 2.43 -0.44 0.70 114.38 118.11 1imu h ARG 17 Ca 0.03 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1imu h ARG 17 Cb 0.41 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 1imu h ARG 17 CO -0.32 -0.01 0.65 1.49 -1.51 0.00 0.00 179.97 180.27 1imu h GLU 18 N -0.02 1.23 0.03 0.20 4.57 0.31 0.20 114.58 121.09 1imu h GLU 18 Ca 0.13 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1imu h GLU 18 Cb 0.35 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1imu h GLU 18 CO -0.75 0.81 -0.02 1.25 -1.18 0.00 0.00 179.01 179.13 1imu h HIS 19 N 1.26 -0.04 -0.55 0.92 2.76 0.51 0.50 115.15 120.52 1imu h HIS 19 Ca 0.39 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.66 1imu h HIS 19 Cb -0.02 0.01 -0.11 0.00 1.55 0.00 0.00 27.41 28.84 1imu h HIS 19 CO -0.00 -0.02 -0.27 -0.07 -1.30 0.00 0.00 177.93 176.27 1imu h LEU 20 N -0.04 -0.93 -0.04 0.26 3.38 0.23 0.35 115.31 118.52 1imu h LEU 20 Ca -0.00 0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1imu h LEU 20 Cb 0.03 0.49 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 1imu h LEU 20 CO 0.01 -0.28 -0.36 -0.33 0.09 0.00 0.00 178.44 177.57 1imu h GLU 21 N -0.13 -0.47 -0.86 1.13 5.08 -0.58 0.26 114.58 119.01 1imu h GLU 21 Ca 0.24 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.77 1imu h GLU 21 Cb 0.52 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.78 1imu h GLU 21 CO -0.63 -0.31 0.46 1.49 -1.00 0.00 0.00 179.01 179.02 1imu h GLU 22 N -0.49 0.66 -0.74 2.33 4.57 0.13 0.32 114.58 121.36 1imu h GLU 22 Ca 0.07 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1imu h GLU 22 Cb 0.59 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 1imu h GLU 22 CO -0.31 0.44 0.48 -0.09 -1.18 0.00 0.00 179.01 178.35 1imu h ARG 23 N 0.68 0.93 -0.09 1.92 9.65 0.13 0.24 114.38 127.84 1imu h ARG 23 Ca 0.46 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 59.27 1imu h ARG 23 Cb 0.60 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1imu h ARG 23 CO -0.34 0.62 0.03 1.25 2.80 0.00 0.00 179.97 184.33 1imu h LEU 24 N 0.96 0.13 -1.93 3.80 5.85 0.22 0.38 115.31 124.71 1imu h LEU 24 Ca 0.28 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1imu h LEU 24 Cb -0.05 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1imu h LEU 24 CO -0.08 0.28 0.18 0.00 -0.34 0.00 0.00 178.44 178.47 1imu h ALA 25 N 0.86 2.14 0.11 1.25 0.00 0.05 0.31 119.26 123.97 1imu h ALA 25 Ca 0.03 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 1imu h ALA 25 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1imu h ALA 25 CO -0.00 -0.20 -1.19 0.87 0.00 0.00 0.00 179.25 178.73 1imu h LYS 26 N 0.08 0.29 -0.00 0.00 1.79 0.14 -3.18 116.57 115.69 1imu h LYS 26 Ca 0.12 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1imu h LYS 26 Cb 0.37 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1imu h LYS 26 CO -0.01 1.20 -0.00 1.28 -1.08 0.00 0.00 179.45 180.83 1imu n LEU 27 N -3.57 0.01 0.11 2.94 4.77 0.13 -3.82 117.00 117.56 1imu n LEU 27 Ca -0.08 0.46 -0.13 0.00 -0.03 0.00 0.00 56.01 56.22 1imu n LEU 27 Cb 0.99 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 1imu n LEU 27 CO 0.53 0.00 0.81 1.23 -1.33 0.00 0.00 177.39 178.64 1imu h GLY 28 N 5.00 -0.22 1.66 -0.72 0.00 -0.45 -1.92 103.07 106.42 1imu h GLY 28 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1imu h GLY 28 CO 0.00 -0.09 0.00 0.58 0.00 0.00 0.00 176.54 177.03 1imu n LYS 29 N -5.19 0.22 -1.05 4.80 -0.00 -1.25 -4.24 118.16 111.46 1imu n LYS 29 Ca -0.08 0.12 -0.38 0.00 -0.00 0.00 0.00 58.31 57.96 1imu n LYS 29 Cb 0.12 -1.50 -0.05 0.00 -0.00 0.00 0.00 35.03 33.60 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 -1.33 1.75 -3.27 5.58 7.02 -0.72 -4.59 117.44 121.88 1imu n TRP 30 Ca 0.08 -1.84 -0.08 0.00 -1.02 0.00 0.00 57.50 54.64 1imu n TRP 30 Cb 0.17 -1.69 -0.01 0.00 -2.42 0.00 0.00 31.31 27.35 1imu n TRP 30 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1imu n GLN 31 N 6.31 -0.94 -3.62 -0.99 1.13 -1.26 -4.79 117.38 113.21 1imu n GLN 31 Ca 0.48 -0.15 -0.04 0.00 -1.94 0.00 0.00 57.00 55.35 1imu n GLN 31 Cb 0.34 -0.39 -0.01 0.00 0.11 0.00 0.00 30.24 30.29 1imu n GLN 31 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1imu s THR 32 N -3.86 0.00 -0.46 5.09 2.01 -1.26 -4.85 115.64 112.31 1imu s THR 32 Ca 0.04 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.82 1imu s THR 32 Cb -0.02 -1.53 0.13 0.00 0.01 0.00 0.00 72.50 71.09 1imu s THR 32 CO 0.22 0.00 0.23 0.00 -0.69 0.00 0.00 174.62 174.38 1imu s GLN 33 N -2.90 1.57 -0.87 4.92 0.00 -1.26 -4.71 119.66 116.41 1imu s GLN 33 Ca 0.10 -2.23 -0.21 0.00 -0.00 0.00 0.00 55.36 53.02 1imu s GLN 33 Cb 0.00 -2.80 -0.22 0.00 0.00 0.00 0.00 33.01 29.99 1imu s GLN 33 CO -0.04 -1.12 2.39 1.28 0.00 0.00 0.00 175.29 177.81 1imu n LEU 34 N 3.45 0.31 -4.58 2.60 4.32 -1.26 -4.52 117.00 117.33 1imu n LEU 34 Ca 0.06 -0.58 -0.41 0.00 -0.02 0.00 0.00 56.01 55.06 1imu n LEU 34 Cb 0.34 -1.05 -0.03 0.00 -1.62 0.00 0.00 43.42 41.06 1imu n LEU 34 CO 0.28 -1.56 1.41 -0.63 -1.22 0.00 0.00 177.39 175.67 1imu s ILE 35 N 7.60 3.62 -0.09 -0.08 1.01 0.34 -4.27 121.20 129.33 1imu s ILE 35 Ca 1.19 0.55 -0.01 0.00 0.00 0.00 0.00 60.65 62.38 1imu s ILE 35 Cb -0.68 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 37.71 1imu s ILE 35 CO 0.39 -0.85 0.01 -0.24 0.00 0.00 0.00 174.94 174.25 1imu n SER 36 N 10.41 -6.94 -4.86 3.58 2.88 -1.26 -1.40 113.62 116.03 1imu n SER 36 Ca 0.18 0.66 -0.37 0.00 -1.33 0.00 0.00 58.87 58.01 1imu n SER 36 Cb 0.49 -2.56 -0.06 0.00 -0.75 0.00 0.00 64.21 61.34 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 -1.19 3.69 0.36 -1.46 0.04 -1.26 -3.69 135.00 131.49 1imu s PRO 37 Ca 0.01 0.14 0.04 0.00 0.04 0.00 0.00 61.00 61.22 1imu s PRO 37 Cb -0.00 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 1imu s PRO 37 CO 0.21 0.72 0.07 -1.01 0.04 0.00 0.00 177.00 177.04 1imu s HIS 38 N -1.08 1.95 -0.34 0.56 3.76 -0.09 0.13 115.29 120.17 1imu s HIS 38 Ca 0.21 -1.01 0.03 0.00 -0.15 0.00 0.00 55.06 54.13 1imu s HIS 38 Cb -0.14 -1.30 0.16 0.00 1.11 0.00 0.00 32.58 32.41 1imu s HIS 38 CO 0.10 -0.02 0.42 -0.06 -0.85 0.00 0.00 174.74 174.32 1imu s PHE 39 N -3.23 -0.80 -0.91 1.40 0.40 0.74 -3.12 117.98 112.45 1imu s PHE 39 Ca 0.32 -0.15 -0.19 0.00 -0.60 0.00 0.00 56.93 56.31 1imu s PHE 39 Cb 0.07 -0.21 0.13 0.00 0.51 0.00 0.00 43.02 43.52 1imu s PHE 39 CO 0.15 -1.00 1.11 0.08 0.70 0.00 0.00 175.22 176.26 1imu s VAL 40 N 2.02 4.72 0.06 -0.44 1.01 0.13 -1.29 120.40 126.61 1imu s VAL 40 Ca 0.13 -1.53 -0.01 0.00 0.00 0.00 0.00 61.98 60.57 1imu s VAL 40 Cb -0.12 -4.77 -0.04 0.00 0.00 0.00 0.00 36.38 31.44 1imu s VAL 40 CO -0.17 -1.50 0.23 -1.48 0.00 0.00 0.00 175.10 172.18 1imu s LEU 41 N 2.73 4.35 0.18 3.92 2.34 -1.26 -0.06 118.68 130.88 1imu s LEU 41 Ca 0.32 0.34 -0.12 0.00 0.06 0.00 0.00 54.13 54.72 1imu s LEU 41 Cb -0.05 -2.95 0.01 0.00 -0.56 0.00 0.00 46.19 42.63 1imu s LEU 41 CO -0.09 0.17 0.39 0.20 -1.06 0.00 0.00 176.35 175.96 1imu s ASN 42 N -2.38 -0.08 0.14 1.48 0.01 0.46 -2.62 114.94 111.94 1imu s ASN 42 Ca 0.34 -0.72 0.04 0.00 -0.71 0.00 0.00 52.86 51.81 1imu s ASN 42 Cb -0.13 0.50 -0.04 0.00 0.41 0.00 0.00 41.25 41.98 1imu s ASN 42 CO 0.26 -0.97 -0.08 -0.75 -1.51 0.00 0.00 177.10 174.05 1imu s LYS 43 N -3.93 1.01 0.06 -0.60 2.20 -1.26 0.01 119.74 117.23 1imu s LYS 43 Ca 0.14 -1.43 -0.27 0.00 -0.36 0.00 0.00 55.97 54.05 1imu s LYS 43 Cb 0.01 -0.50 0.07 0.00 -1.51 0.00 0.00 37.83 35.90 1imu s LYS 43 CO -0.01 0.04 0.64 0.14 -0.36 0.00 0.00 175.35 175.80 1imu s VAL 44 N -3.42 0.00 0.27 4.02 -7.23 0.13 -4.77 120.40 109.40 1imu s VAL 44 Ca 0.16 -0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.32 1imu s VAL 44 Cb 0.03 -1.00 0.29 0.00 0.56 0.00 0.00 36.38 36.26 1imu s VAL 44 CO -0.00 -0.00 1.66 -0.65 -0.31 0.00 0.00 175.10 175.79 1imu h PRO 45 N 2.47 0.22 -0.99 4.82 0.11 -2.02 0.28 132.00 136.89 1imu h PRO 45 Ca -0.31 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 1imu h PRO 45 Cb 1.23 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1imu h PRO 45 CO 0.38 0.14 0.04 -1.71 -0.21 0.00 0.00 178.00 176.65 1imu n ASN 46 N -5.21 2.46 0.00 -2.05 5.15 -1.26 -4.94 115.26 109.41 1imu n ASN 46 Ca 0.19 -2.12 0.00 0.00 -0.60 0.00 0.00 54.58 52.04 1imu n ASN 46 Cb 0.60 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 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 0.24 1.66 3.79 8.20 0.00 0.98 -4.72 105.19 115.35 1imu n GLY 47 Ca 0.04 -2.23 -0.36 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.46 3.47 -0.19 1.61 0.40 0.65 0.17 117.98 122.64 1imu s PHE 48 Ca 0.00 0.39 -0.02 0.00 -0.60 0.00 0.00 56.93 56.70 1imu s PHE 48 Cb 0.00 -2.01 -0.01 0.00 0.51 0.00 0.00 43.02 41.51 1imu s PHE 48 CO 0.00 0.52 -0.08 -1.12 0.70 0.00 0.00 175.22 175.24 1imu s SER 49 N -0.46 4.12 -0.07 1.36 0.01 0.10 -0.72 113.70 118.04 1imu s SER 49 Ca 0.11 -0.39 0.02 0.00 1.31 0.00 0.00 55.95 57.01 1imu s SER 49 Cb -0.12 -1.68 0.01 0.00 0.21 0.00 0.00 66.02 64.45 1imu s SER 49 CO 0.02 0.04 -0.13 -0.69 0.41 0.00 0.00 173.24 172.89 1imu s VAL 50 N 1.09 1.18 -0.07 3.43 1.01 0.70 0.17 120.40 127.91 1imu s VAL 50 Ca 0.01 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1imu s VAL 50 Cb -0.15 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1imu s VAL 50 CO -0.02 0.36 -0.14 -0.70 0.00 0.00 0.00 175.10 174.61 1imu s GLU 51 N 0.65 1.91 0.27 2.72 2.12 0.91 -0.27 118.70 127.00 1imu s GLU 51 Ca -0.15 -0.50 0.10 0.00 0.36 0.00 0.00 54.97 54.79 1imu s GLU 51 Cb -0.16 -1.55 -0.04 0.00 0.26 0.00 0.00 34.13 32.64 1imu s GLU 51 CO 0.04 0.06 -0.05 0.00 -0.54 0.00 0.00 175.26 174.78 1imu s ALA 52 N 0.57 3.07 -0.28 6.30 0.00 0.76 0.20 121.76 132.39 1imu s ALA 52 Ca -0.15 -1.71 -0.01 0.00 0.00 0.00 0.00 51.96 50.09 1imu s ALA 52 Cb -0.16 -0.65 0.16 0.00 0.00 0.00 0.00 23.12 22.48 1imu s ALA 52 CO 0.04 0.26 0.49 -1.12 0.00 0.00 0.00 175.76 175.44 1imu s SER 53 N -3.64 -0.56 -0.05 0.00 0.01 -1.18 -0.11 113.70 108.17 1imu s SER 53 Ca 0.31 0.42 0.02 0.00 1.31 0.00 0.00 55.95 58.01 1imu s SER 53 Cb -0.06 1.62 0.02 0.00 0.21 0.00 0.00 66.02 67.80 1imu s SER 53 CO 0.19 -0.29 -0.09 -0.63 0.41 0.00 0.00 173.24 172.83 1imu s ILE 54 N 2.70 0.87 0.55 1.44 1.01 0.10 -0.91 121.20 126.96 1imu s ILE 54 Ca 0.15 -0.34 -0.16 0.00 0.00 0.00 0.00 60.65 60.31 1imu s ILE 54 Cb -0.14 -0.82 -0.06 0.00 0.01 0.00 0.00 42.46 41.44 1imu s ILE 54 CO -0.20 0.29 1.01 -0.83 0.00 0.00 0.00 174.94 175.21 1imu s GLY 55 N 0.68 2.02 -0.14 6.18 0.00 -0.50 0.27 107.32 115.84 1imu s GLY 55 Ca -0.12 0.20 -0.13 0.00 0.00 0.00 0.00 44.72 44.67 1imu s GLY 55 CO 0.02 0.49 0.37 -0.51 0.00 0.00 0.00 173.10 173.47 1imu s THR 56 N -2.65 0.00 0.13 0.90 -4.23 -1.24 0.13 115.64 108.68 1imu s THR 56 Ca 0.60 -0.01 0.22 0.00 -1.18 0.00 0.00 61.69 61.32 1imu s THR 56 Cb -0.12 -0.52 0.22 0.00 1.34 0.00 0.00 72.50 73.42 1imu s THR 56 CO 0.36 -0.00 1.64 -0.65 -0.54 0.00 0.00 174.62 175.42 1imu h PRO 57 N 5.53 0.00 0.00 3.99 0.11 -1.99 0.38 132.00 140.02 1imu h PRO 57 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1imu h PRO 57 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1imu h PRO 57 CO 0.28 0.00 -1.57 1.28 -0.21 0.00 0.00 178.00 177.78 1imu n LEU 58 N -2.37 0.35 0.00 2.35 4.32 -1.26 -5.02 117.00 115.36 1imu n LEU 58 Ca -0.01 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 1imu n LEU 58 Cb 0.22 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 1imu n LEU 58 CO 0.10 0.01 0.00 0.61 -1.22 0.00 0.00 177.39 176.89 1imu n GLY 59 N 1.30 3.74 3.54 -0.72 0.00 0.13 -4.99 105.19 108.18 1imu n GLY 59 Ca -0.01 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 0.04 -4.54 1.61 4.13 -1.25 -3.59 115.26 111.66 1imu n ASN 60 Ca 0.00 0.88 -0.33 0.00 1.68 0.00 0.00 54.58 56.81 1imu n ASN 60 Cb 0.00 -1.26 -0.12 0.00 -1.54 0.00 0.00 39.78 36.87 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 0.05 2.98 0.02 3.41 1.43 0.75 -4.86 118.68 122.46 1imu s LEU 61 Ca 0.67 -0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 53.52 1imu s LEU 61 Cb -0.51 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1imu s LEU 61 CO 0.54 0.32 0.18 -0.76 0.23 0.00 0.00 176.35 176.86 1imu s LEU 62 N -1.07 1.41 0.15 1.79 2.01 -1.26 0.02 118.68 121.73 1imu s LEU 62 Ca 0.14 -0.25 -0.24 0.00 0.01 0.00 0.00 54.13 53.79 1imu s LEU 62 Cb -0.11 0.86 0.07 0.00 0.01 0.00 0.00 46.19 47.02 1imu s LEU 62 CO 0.04 -0.46 0.65 0.00 1.01 0.00 0.00 176.35 177.58 1imu s ALA 63 N -1.92 -1.60 -0.29 4.21 0.00 0.85 -4.64 121.76 118.38 1imu s ALA 63 Ca -0.10 0.48 -0.18 0.00 0.00 0.00 0.00 51.96 52.16 1imu s ALA 63 Cb -0.04 0.83 0.14 0.00 0.00 0.00 0.00 23.12 24.04 1imu s ALA 63 CO -0.01 -0.79 0.98 -1.54 0.00 0.00 0.00 175.76 174.41 1imu s SER 64 N -2.73 -0.51 -0.10 0.00 1.04 -1.25 -0.17 113.70 109.98 1imu s SER 64 Ca 0.02 0.85 -0.20 0.00 0.48 0.00 0.00 55.95 57.11 1imu s SER 64 Cb -0.01 1.12 0.05 0.00 0.10 0.00 0.00 66.02 67.27 1imu s SER 64 CO -0.11 -0.14 0.48 0.00 0.98 0.00 0.00 173.24 174.45 1imu s ALA 65 N 1.07 -1.21 -0.18 5.32 0.00 0.63 -4.94 121.76 122.46 1imu s ALA 65 Ca -0.06 1.04 0.01 0.00 0.00 0.00 0.00 51.96 52.95 1imu s ALA 65 Cb -0.04 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.76 1imu s ALA 65 CO -0.13 -0.27 -0.14 0.99 0.00 0.00 0.00 175.76 176.20 1imu s THR 66 N -0.57 1.75 0.33 0.00 2.01 -1.25 -0.22 115.64 117.69 1imu s THR 66 Ca -0.07 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.13 1imu s THR 66 Cb -0.03 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 1imu s THR 66 CO 0.04 0.37 0.26 -0.44 -0.69 0.00 0.00 174.62 174.16 1imu s SER 67 N 1.39 1.69 -0.34 3.53 0.01 0.10 -4.88 113.70 115.20 1imu s SER 67 Ca 0.02 -1.74 0.04 0.00 1.31 0.00 0.00 55.95 55.59 1imu s SER 67 Cb -0.14 0.55 0.56 0.00 0.21 0.00 0.00 66.02 67.19 1imu s SER 67 CO -0.10 -1.05 1.71 -0.67 0.41 0.00 0.00 173.24 173.54 1imu n ASP 68 N -1.48 3.76 -3.40 2.44 2.03 -1.26 0.24 116.55 118.89 1imu n ASP 68 Ca 0.06 -3.23 -0.07 0.00 0.52 0.00 0.00 54.79 52.08 1imu n ASP 68 Cb 0.63 -0.76 -0.07 0.00 -0.72 0.00 0.00 41.12 40.19 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 -0.82 -0.10 0.00 1.67 1.11 -1.26 -4.92 116.67 112.35 1imu s ASP 69 Ca 0.46 0.50 0.00 0.00 0.18 0.00 0.00 52.55 53.69 1imu s ASP 69 Cb 0.38 1.32 0.00 0.00 1.07 0.00 0.00 42.92 45.69 1imu s ASP 69 CO 0.09 -0.28 0.91 0.80 1.18 0.00 0.00 175.17 177.87 1imu n MET 70 N 5.38 0.00 0.26 8.23 0.00 -1.26 0.18 117.12 129.91 1imu n MET 70 Ca -0.04 0.91 0.14 0.00 -0.00 0.00 0.00 57.70 58.70 1imu n MET 70 Cb 0.50 -1.40 0.65 0.00 0.00 0.00 0.00 33.22 32.98 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 -0.08 1.12 -1.99 -1.97 -0.89 116.97 113.16 1imu h TYR 71 Ca 0.00 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.52 1imu h TYR 71 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1imu h TYR 71 CO -0.79 0.12 -0.80 -0.22 -0.00 0.00 0.00 178.16 176.46 1imu h LYS 72 N 0.00 0.51 -0.11 4.88 1.63 -1.58 1.70 116.57 123.60 1imu h LYS 72 Ca -0.00 -0.45 -0.01 0.00 -0.85 0.00 0.00 60.65 59.34 1imu h LYS 72 Cb 0.52 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.24 1imu h LYS 72 CO 0.02 1.08 0.04 0.00 -3.45 0.00 0.00 179.45 177.14 1imu h ALA 73 N 0.78 0.14 -0.63 5.00 0.00 0.26 1.53 119.26 126.35 1imu h ALA 73 Ca -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1imu h ALA 73 Cb 1.40 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1imu h ALA 73 CO 0.14 -0.27 0.28 0.82 0.00 0.00 0.00 179.25 180.23 1imu h ILE 74 N 0.02 1.21 -0.85 0.00 5.03 -1.07 0.27 117.51 122.11 1imu h ILE 74 Ca 0.04 -0.61 0.05 0.00 -0.12 0.00 0.00 64.86 64.22 1imu h ILE 74 Cb 0.17 0.43 -0.06 0.00 -3.03 0.00 0.00 36.82 34.33 1imu h ILE 74 CO -0.00 0.25 0.53 -1.13 -0.68 0.00 0.00 178.15 177.12 1imu h ASN 75 N 0.89 0.85 0.22 1.72 -0.73 0.42 0.15 115.58 119.10 1imu h ASN 75 Ca 0.22 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.39 1imu h ASN 75 Cb 0.12 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.54 1imu h ASN 75 CO -0.03 0.56 -0.11 -0.08 -0.37 0.00 0.00 177.43 177.40 1imu h GLU 76 N 0.99 -0.29 -0.44 6.67 4.22 0.39 -2.74 114.58 123.38 1imu h GLU 76 Ca 0.36 0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.91 1imu h GLU 76 Cb 0.13 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.35 1imu h GLU 76 CO -0.16 0.09 -0.25 0.28 -2.18 0.00 0.00 179.01 176.79 1imu h VAL 77 N -0.79 0.32 -0.89 0.32 2.07 -0.24 0.42 116.25 117.47 1imu h VAL 77 Ca -0.03 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.65 1imu h VAL 77 Cb 0.51 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 1imu h VAL 77 CO 0.05 0.00 0.58 -0.08 0.02 0.00 0.00 177.57 178.14 1imu h GLU 78 N -0.16 0.58 -0.49 1.57 4.81 -0.76 0.62 114.58 120.75 1imu h GLU 78 Ca 0.20 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 1imu h GLU 78 Cb 0.49 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1imu h GLU 78 CO -0.54 0.39 -0.07 0.93 -0.73 0.00 0.00 179.01 178.99 1imu h GLU 79 N 0.60 0.87 0.53 1.92 5.08 0.05 0.34 114.58 123.96 1imu h GLU 79 Ca 0.46 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1imu h GLU 79 Cb 0.86 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.04 1imu h GLU 79 CO -0.21 0.91 -0.26 0.87 -1.00 0.00 0.00 179.01 179.32 1imu h LYS 80 N 0.79 -0.69 -0.76 2.33 1.57 0.24 0.43 116.57 120.48 1imu h LYS 80 Ca 0.14 0.05 0.16 0.00 -1.87 0.00 0.00 60.65 59.12 1imu h LYS 80 Cb 0.57 0.16 -0.11 0.00 0.08 0.00 0.00 32.23 32.93 1imu h LYS 80 CO 0.03 -0.46 0.25 -0.07 -0.57 0.00 0.00 179.45 178.63 1imu h LEU 81 N -0.85 0.15 -0.29 2.94 -0.00 -0.54 0.29 115.31 117.01 1imu h LEU 81 Ca -0.07 0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1imu h LEU 81 Cb 0.55 0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.35 1imu h LEU 81 CO 0.12 0.02 0.08 -0.08 -0.00 0.00 0.00 178.44 178.59 1imu h GLU 82 N 0.35 0.45 -0.16 1.13 4.81 -0.28 0.24 114.58 121.12 1imu h GLU 82 Ca 0.43 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.60 1imu h GLU 82 Cb 0.71 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 1imu h GLU 82 CO -0.47 0.51 -0.11 0.00 -0.73 0.00 0.00 179.01 178.21 1imu h ARG 83 N 0.30 -0.11 -0.62 1.92 3.08 0.17 0.27 114.38 119.39 1imu h ARG 83 Ca 0.09 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.17 1imu h ARG 83 Cb 0.25 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1imu h ARG 83 CO -0.00 -0.07 0.40 1.96 -1.07 0.00 0.00 179.97 181.18 1imu h GLN 84 N -0.12 0.78 -0.19 0.04 4.20 -0.35 0.87 115.11 120.35 1imu h GLN 84 Ca 0.10 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.82 1imu h GLN 84 Cb 0.26 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 27.80 1imu h GLN 84 CO -0.23 0.51 -0.30 -0.07 -0.67 0.00 0.00 178.83 178.07 1imu h LEU 85 N 0.80 -0.96 -1.64 1.46 3.38 0.74 0.73 115.31 119.81 1imu h LEU 85 Ca 0.24 0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.46 1imu h LEU 85 Cb -0.04 0.42 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1imu h LEU 85 CO -0.08 -0.34 0.40 -1.13 0.09 0.00 0.00 178.44 177.39 1imu h ASN 86 N -0.35 0.36 0.17 -0.43 -1.24 0.12 0.51 115.58 114.72 1imu h ASN 86 Ca 0.11 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 1imu h ASN 86 Cb 0.53 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.51 1imu h ASN 86 CO -0.38 0.22 -0.08 0.50 -1.29 0.00 0.00 177.43 176.40 1imu h LYS 87 N 0.40 -0.22 0.06 6.67 3.11 0.24 0.38 116.57 127.22 1imu h LYS 87 Ca 0.28 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 58.16 1imu h LYS 87 Cb 0.56 0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.79 1imu h LYS 87 CO -0.08 0.03 -0.32 -0.07 -2.81 0.00 0.00 179.45 176.21 1imu h LEU 88 N -0.45 -0.93 -2.24 5.20 3.38 0.17 1.11 115.31 121.56 1imu h LEU 88 Ca -0.02 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1imu h LEU 88 Cb 0.35 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1imu h LEU 88 CO 0.04 -0.39 -0.05 1.56 0.09 0.00 0.00 178.44 179.69 1imu h GLN 89 N -0.50 0.00 0.00 1.13 4.20 -0.93 -3.23 115.11 115.78 1imu h GLN 89 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1imu h GLN 89 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1imu h GLN 89 CO -0.22 0.05 0.00 0.72 -0.67 0.00 0.00 178.83 178.71 1imu n HIS 90 N -3.79 0.00 -3.19 2.96 8.25 0.13 -4.88 115.22 114.71 1imu n HIS 90 Ca -0.03 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.27 1imu n HIS 90 Cb 0.14 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 30.74 1imu n HIS 90 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1imu n LYS 91 N -1.96 -2.01 0.00 -0.41 2.85 0.36 -3.74 118.16 113.25 1imu n LYS 91 Ca 0.00 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1imu n LYS 91 Cb 0.00 -4.31 0.00 0.00 -0.65 0.00 0.00 35.03 30.07 1imu n LYS 91 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1imu n SER 92 N -1.76 0.00 -0.53 -5.58 7.64 -1.26 -5.13 113.62 107.00 1imu n SER 92 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1imu n SER 92 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1imu n SER 92 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1imu n GLU 93 N 0.00 0.00 -3.65 1.43 2.13 -1.25 -4.98 120.64 114.32 1imu n GLU 93 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 1imu n GLU 93 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 1imu n GLU 93 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1imu s SER 94 N -4.00 -0.00 -0.29 4.31 0.15 -1.26 -5.18 113.70 107.43 1imu s SER 94 Ca 0.00 0.00 -0.24 0.00 0.70 0.00 0.00 55.95 56.41 1imu s SER 94 Cb 0.00 0.34 0.16 0.00 -1.71 0.00 0.00 66.02 64.80 1imu s SER 94 CO 0.00 -0.00 1.21 0.00 1.20 0.00 0.00 173.24 175.65 1imu s ARG 95 N 0.34 0.29 -0.06 5.44 1.70 -1.26 -5.11 118.95 120.28 1imu s ARG 95 Ca 0.03 0.36 -0.05 0.00 -0.47 0.00 0.00 55.73 55.59 1imu s ARG 95 Cb -0.04 0.13 0.02 0.00 -0.57 0.00 0.00 34.95 34.49 1imu s ARG 95 CO -0.14 -0.04 0.10 0.54 -1.08 0.00 0.00 175.30 174.68 1imu n ARG 96 N 2.08 -5.03 -3.46 3.89 5.12 -1.26 -5.02 116.66 112.99 1imu n ARG 96 Ca -0.12 3.69 -0.28 0.00 -1.93 0.00 0.00 57.85 59.21 1imu n ARG 96 Cb 0.56 -4.92 -0.11 0.00 -1.16 0.00 0.00 32.46 26.84 1imu n ARG 96 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1imu s ALA 97 N -0.63 1.40 0.56 7.54 0.00 -1.26 -5.13 121.76 124.25 1imu s ALA 97 Ca -0.12 -2.33 0.09 0.00 0.00 0.00 0.00 51.96 49.60 1imu s ALA 97 Cb 0.01 -1.64 0.08 0.00 0.00 0.00 0.00 23.12 21.56 1imu s ALA 97 CO 0.33 -2.03 0.71 0.16 0.00 0.00 0.00 175.76 174.93 1imu s ASP 98 N 0.35 5.02 -0.04 0.00 -4.77 -1.26 -5.08 116.67 110.89 1imu s ASP 98 Ca 0.27 -0.92 -0.03 0.00 -3.30 0.00 0.00 52.55 48.56 1imu s ASP 98 Cb -0.07 0.30 -0.02 0.00 -1.09 0.00 0.00 42.92 42.03 1imu s ASP 98 CO -0.11 -1.28 -0.08 -1.84 0.70 0.00 0.00 175.17 172.56 1imu n GLU 99 N -2.14 0.12 0.00 2.11 0.28 -1.26 -5.12 120.64 114.64 1imu n GLU 99 Ca 0.12 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 1imu n GLU 99 Cb 0.62 -0.71 0.00 0.00 1.43 0.00 0.00 31.44 32.78 1imu n GLU 99 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1imu n ARG 100 N -3.37 0.00 -0.76 3.44 0.00 -1.26 -5.16 116.66 109.55 1imu n ARG 100 Ca -0.10 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 57.86 1imu n ARG 100 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.91 1imu n ARG 100 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1imu n LEU 101 N 0.00 0.00 -3.68 6.15 7.99 -1.26 -4.70 117.00 121.50 1imu n LEU 101 Ca 0.00 0.82 -0.29 0.00 -0.01 0.00 0.00 56.01 56.52 1imu n LEU 101 Cb 0.00 -2.31 -0.13 0.00 -0.11 0.00 0.00 43.42 40.87 1imu n LEU 101 CO 0.00 -2.14 -0.26 -1.59 -1.51 0.00 0.00 177.39 171.89 1imu s LYS 102 N -1.19 1.17 0.15 3.23 -2.85 -1.26 -5.11 119.74 113.88 1imu s LYS 102 Ca 0.00 -1.89 0.10 0.00 -1.00 0.00 0.00 55.97 53.18 1imu s LYS 102 Cb 0.00 -2.19 -0.04 0.00 -2.06 0.00 0.00 37.83 33.54 1imu s LYS 102 CO 0.00 -1.16 -0.19 -0.51 0.10 0.00 0.00 175.35 173.59 1imu s ASP 103 N 0.49 3.77 -0.62 0.03 1.01 -1.26 -5.09 116.67 114.99 1imu s ASP 103 Ca 0.17 -0.65 -0.13 0.00 0.71 0.00 0.00 52.55 52.65 1imu s ASP 103 Cb -0.24 -0.47 0.16 0.00 1.01 0.00 0.00 42.92 43.38 1imu s ASP 103 CO 0.00 0.15 0.54 -0.44 0.21 0.00 0.00 175.17 175.64 1imu s SER 104 N -2.36 6.17 -0.23 0.27 0.01 -1.26 -4.85 113.70 111.45 1imu s SER 104 Ca 0.19 -2.19 -0.10 0.00 1.31 0.00 0.00 55.95 55.16 1imu s SER 104 Cb -0.10 -2.13 -0.10 0.00 0.21 0.00 0.00 66.02 63.90 1imu s SER 104 CO 0.10 -0.69 -0.29 0.49 0.41 0.00 0.00 173.24 173.27 1imu n PHE 105 N 4.62 0.00 -4.40 2.43 3.72 -1.26 -5.07 117.46 117.50 1imu n PHE 105 Ca -0.02 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.16 1imu n PHE 105 Cb 0.42 -0.82 -0.08 0.00 -0.94 0.00 0.00 39.48 38.05 1imu n PHE 105 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1imu s GLU 106 N -2.42 1.79 0.00 -1.08 2.12 -1.26 -5.37 118.70 112.47 1imu s GLU 106 Ca -0.32 -2.06 0.25 0.00 0.36 0.00 0.00 54.97 53.20 1imu s GLU 106 Cb 0.12 -0.23 0.33 0.00 0.26 0.00 0.00 34.13 34.61 1imu s GLU 106 CO 0.41 -0.51 1.34 0.27 -0.54 0.00 0.00 175.26 176.23