#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 0.56 -2.31 2.03 -2.24 -1.26 -4.82 114.28 106.24 1imu n THR 2 Ca 0.00 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 1imu n THR 2 Cb 0.00 -2.37 -0.03 0.00 -2.10 0.00 0.00 70.33 65.83 1imu n THR 2 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1imu s LEU 3 N 6.18 4.36 0.40 3.22 -0.00 -1.26 -4.70 118.68 126.88 1imu s LEU 3 Ca 0.95 2.13 -0.02 0.00 -0.00 0.00 0.00 54.13 57.19 1imu s LEU 3 Cb -0.43 -3.58 -0.03 0.00 -0.00 0.00 0.00 46.19 42.15 1imu s LEU 3 CO 0.40 -0.57 0.65 0.20 -0.00 0.00 0.00 176.35 177.03 1imu s ASN 4 N 1.20 6.28 0.13 1.48 -0.87 0.61 -4.89 114.94 118.90 1imu s ASN 4 Ca 0.61 0.65 0.06 0.00 -1.57 0.00 0.00 52.86 52.61 1imu s ASN 4 Cb -0.32 -2.12 -0.04 0.00 -0.02 0.00 0.00 41.25 38.75 1imu s ASN 4 CO 0.29 -0.41 -0.15 -0.63 -2.57 0.00 0.00 177.10 173.63 1imu s ILE 5 N -2.49 1.42 -0.47 0.60 1.09 -1.26 -0.42 121.20 119.67 1imu s ILE 5 Ca 0.43 -1.79 0.06 0.00 -1.10 0.00 0.00 60.65 58.26 1imu s ILE 5 Cb -0.10 -1.62 0.24 0.00 -1.06 0.00 0.00 42.46 39.92 1imu s ILE 5 CO 0.40 -0.42 0.79 0.41 -0.10 0.00 0.00 174.94 176.02 1imu n THR 6 N 0.42 -0.17 -2.71 2.92 -1.04 -0.35 -4.84 114.28 108.51 1imu n THR 6 Ca -0.14 -2.06 -0.42 0.00 -2.04 0.00 0.00 64.05 59.38 1imu n THR 6 Cb 0.57 0.67 -0.03 0.00 -1.82 0.00 0.00 70.33 69.72 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 -1.45 7.19 0.11 8.00 0.01 -1.26 -4.09 113.70 122.22 1imu s SER 7 Ca 0.33 1.47 -0.18 0.00 1.31 0.00 0.00 55.95 58.87 1imu s SER 7 Cb 0.20 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 1imu s SER 7 CO -0.21 -0.46 1.67 0.07 0.41 0.00 0.00 173.24 174.72 1imu h LYS 8 N 7.16 0.42 0.00 12.44 2.10 -1.95 -3.44 116.57 133.29 1imu h LYS 8 Ca -0.30 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1imu h LYS 8 Cb 1.14 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1imu h LYS 8 CO 0.86 0.42 0.00 0.00 -2.00 0.00 0.00 179.45 178.73 1imu n GLN 9 N -4.77 0.00 -1.40 0.07 10.64 -1.26 -4.93 117.38 115.72 1imu n GLN 9 Ca -0.02 0.00 -0.50 0.00 -1.83 0.00 0.00 57.00 54.65 1imu n GLN 9 Cb 0.12 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.40 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 0.48 -0.24 2.61 0.00 -1.26 -4.89 117.12 113.81 1imu n MET 10 Ca 0.00 0.10 -0.22 0.00 0.00 0.00 0.00 57.70 57.58 1imu n MET 10 Cb 0.00 -2.02 0.22 0.00 0.00 0.00 0.00 33.22 31.42 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 9.81 -3.59 -4.89 3.17 9.92 -1.26 -4.69 116.55 125.01 1imu n ASP 11 Ca 0.51 -0.65 -0.33 0.00 -0.53 0.00 0.00 54.79 53.79 1imu n ASP 11 Cb 0.13 -0.79 -0.05 0.00 -0.64 0.00 0.00 41.12 39.77 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 -1.89 5.27 0.30 0.53 -1.09 -1.26 -4.99 121.20 118.06 1imu s ILE 12 Ca 0.49 0.05 -0.07 0.00 -2.23 0.00 0.00 60.65 58.90 1imu s ILE 12 Cb -0.09 -3.60 -0.00 0.00 -1.58 0.00 0.00 42.46 37.20 1imu s ILE 12 CO 0.41 0.24 0.46 0.42 -1.23 0.00 0.00 174.94 175.24 1imu s THR 13 N -1.43 0.00 0.28 2.92 -4.23 -1.26 -4.97 115.64 106.94 1imu s THR 13 Ca 0.33 -1.54 -0.05 0.00 -1.18 0.00 0.00 61.69 59.24 1imu s THR 13 Cb -0.13 -2.48 0.42 0.00 1.34 0.00 0.00 72.50 71.65 1imu s THR 13 CO 0.20 0.00 1.57 -0.65 -0.54 0.00 0.00 174.62 175.21 1imu h PRO 14 N 2.21 0.01 0.00 3.99 0.11 -1.99 0.13 132.00 136.46 1imu h PRO 14 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1imu h PRO 14 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1imu h PRO 14 CO 0.39 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.18 1imu n ALA 15 N -3.40 0.00 -0.07 -0.75 0.00 -1.26 0.79 120.51 115.81 1imu n ALA 15 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.47 1imu n ALA 15 Cb 0.56 0.08 -0.09 0.00 0.00 0.00 0.00 19.45 20.00 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 0.01 -0.93 0.00 -2.65 -1.94 0.88 117.51 112.88 1imu h ILE 16 Ca 0.00 0.00 0.08 0.00 1.03 0.00 0.00 64.86 65.97 1imu h ILE 16 Cb 0.00 0.01 -0.11 0.00 -2.05 0.00 0.00 36.82 34.67 1imu h ILE 16 CO 0.00 0.00 -0.57 -0.09 0.03 0.00 0.00 178.15 177.52 1imu h ARG 17 N -0.48 -0.02 -0.97 0.16 2.43 -0.77 1.64 114.38 116.36 1imu h ARG 17 Ca 0.06 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1imu h ARG 17 Cb 0.64 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 1imu h ARG 17 CO -0.52 -0.01 0.64 1.49 -1.51 0.00 0.00 179.97 180.06 1imu h GLU 18 N -0.02 1.23 0.11 0.20 4.81 0.12 0.20 114.58 121.22 1imu h GLU 18 Ca 0.15 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1imu h GLU 18 Cb 0.41 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1imu h GLU 18 CO -0.89 0.81 -0.05 1.25 -0.73 0.00 0.00 179.01 179.40 1imu h HIS 19 N 1.26 -0.14 -0.82 0.92 2.76 0.67 0.80 115.15 120.61 1imu h HIS 19 Ca 0.37 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.71 1imu h HIS 19 Cb -0.07 0.04 -0.15 0.00 1.55 0.00 0.00 27.41 28.78 1imu h HIS 19 CO -0.00 -0.08 -0.13 -0.07 -1.30 0.00 0.00 177.93 176.34 1imu h LEU 20 N -0.16 -0.64 0.56 0.26 3.38 0.21 0.95 115.31 119.87 1imu h LEU 20 Ca -0.01 0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1imu h LEU 20 Cb 0.11 0.47 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1imu h LEU 20 CO 0.02 -0.26 -0.27 -0.33 0.09 0.00 0.00 178.44 177.69 1imu h GLU 21 N 0.02 -0.73 -0.83 1.13 5.08 -0.58 0.66 114.58 119.34 1imu h GLU 21 Ca 0.42 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.96 1imu h GLU 21 Cb 0.69 0.17 -0.09 0.00 0.50 0.00 0.00 28.75 30.02 1imu h GLU 21 CO -0.81 -0.47 0.43 1.49 -1.00 0.00 0.00 179.01 178.65 1imu h GLU 22 N -0.80 0.62 -0.25 2.33 4.57 0.27 0.28 114.58 121.61 1imu h GLU 22 Ca -0.08 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1imu h GLU 22 Cb 0.60 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1imu h GLU 22 CO 0.13 0.41 0.16 0.00 -1.18 0.00 0.00 179.01 178.53 1imu h ARG 23 N 0.64 0.32 -0.12 1.92 2.47 0.12 0.29 114.38 120.02 1imu h ARG 23 Ca 0.44 -0.02 0.01 0.00 -1.26 0.00 0.00 59.98 59.15 1imu h ARG 23 Cb 0.58 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 1imu h ARG 23 CO -0.34 0.21 0.04 1.25 0.56 0.00 0.00 179.97 181.69 1imu h LEU 24 N 0.33 0.04 -1.86 3.04 7.12 0.84 0.32 115.31 125.14 1imu h LEU 24 Ca 0.09 0.01 0.09 0.00 0.13 0.00 0.00 57.88 58.20 1imu h LEU 24 Cb -0.04 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.08 1imu h LEU 24 CO -0.02 0.04 0.28 0.00 -0.13 0.00 0.00 178.44 178.62 1imu h ALA 25 N 1.07 2.17 -0.15 1.25 0.00 -0.09 0.26 119.26 123.77 1imu h ALA 25 Ca 0.05 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1imu h ALA 25 Cb 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1imu h ALA 25 CO -0.05 -0.27 -0.69 -0.22 0.00 0.00 0.00 179.25 178.02 1imu h LYS 26 N 0.16 0.73 0.00 0.00 1.63 0.13 -2.92 116.57 116.31 1imu h LYS 26 Ca 0.19 -0.59 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 1imu h LYS 26 Cb 0.54 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1imu h LYS 26 CO -0.03 1.20 0.00 1.28 -3.45 0.00 0.00 179.45 178.45 1imu n LEU 27 N -4.02 0.25 0.11 5.20 4.77 0.96 -3.05 117.00 121.22 1imu n LEU 27 Ca -0.07 0.54 0.05 0.00 -0.03 0.00 0.00 56.01 56.50 1imu n LEU 27 Cb 0.70 -0.49 0.48 0.00 -2.33 0.00 0.00 43.42 41.79 1imu n LEU 27 CO 0.51 -0.22 1.06 1.23 -1.33 0.00 0.00 177.39 178.64 1imu h GLY 28 N 3.53 0.31 2.00 -0.72 0.00 -0.39 -1.13 103.07 106.67 1imu h GLY 28 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 1imu h GLY 28 CO 0.00 0.13 -0.59 1.70 0.00 0.00 0.00 176.54 177.78 1imu h LYS 29 N 0.29 0.00 -5.01 4.80 3.64 -1.69 -3.40 116.57 115.20 1imu h LYS 29 Ca 0.08 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.08 1imu h LYS 29 Cb 0.07 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 31.94 1imu h LYS 29 CO -0.01 0.59 1.07 0.91 -2.27 0.00 0.00 179.45 179.75 1imu n TRP 30 N -3.66 1.10 0.00 1.91 7.02 -0.43 -4.63 117.44 118.75 1imu n TRP 30 Ca -0.01 -0.81 0.00 0.00 -1.02 0.00 0.00 57.50 55.67 1imu n TRP 30 Cb 0.63 -1.82 0.00 0.00 -2.42 0.00 0.00 31.31 27.70 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 7.91 0.00 -3.59 -0.99 0.00 -1.26 -4.73 117.38 114.73 1imu n GLN 31 Ca 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 57.00 57.35 1imu n GLN 31 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.66 1imu n GLN 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1imu s THR 32 N 0.00 0.00 -0.42 -0.39 2.01 -1.26 -5.04 115.64 110.54 1imu s THR 32 Ca 0.00 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 61.63 1imu s THR 32 Cb 0.00 -1.36 0.13 0.00 0.01 0.00 0.00 72.50 71.28 1imu s THR 32 CO 0.00 -0.02 0.21 0.00 -0.69 0.00 0.00 174.62 174.12 1imu s GLN 33 N -3.81 1.28 -0.86 4.92 0.00 -1.26 -4.88 119.66 115.04 1imu s GLN 33 Ca 0.05 -1.92 -0.20 0.00 -0.00 0.00 0.00 55.36 53.29 1imu s GLN 33 Cb -0.02 -2.42 -0.22 0.00 0.00 0.00 0.00 33.01 30.35 1imu s GLN 33 CO -0.06 -1.12 2.33 1.28 0.00 0.00 0.00 175.29 177.72 1imu n LEU 34 N 3.73 0.54 -4.56 2.60 7.99 -1.26 -4.46 117.00 121.58 1imu n LEU 34 Ca 0.06 -1.04 -0.23 0.00 -0.01 0.00 0.00 56.01 54.80 1imu n LEU 34 Cb 0.36 -1.21 -0.05 0.00 -0.11 0.00 0.00 43.42 42.40 1imu n LEU 34 CO 0.23 -2.08 1.52 -0.63 -1.51 0.00 0.00 177.39 174.93 1imu s ILE 35 N 8.95 3.04 -0.18 -0.08 1.01 0.48 -3.83 121.20 130.58 1imu s ILE 35 Ca 1.09 -0.01 -0.06 0.00 0.00 0.00 0.00 60.65 61.67 1imu s ILE 35 Cb -0.44 -3.09 0.01 0.00 0.01 0.00 0.00 42.46 38.95 1imu s ILE 35 CO 0.29 -0.08 0.13 -0.24 0.00 0.00 0.00 174.94 175.03 1imu n SER 36 N 17.34 -7.02 -4.85 3.58 2.88 -1.26 -2.84 113.62 121.46 1imu n SER 36 Ca 0.42 0.68 -0.36 0.00 -1.33 0.00 0.00 58.87 58.28 1imu n SER 36 Cb 0.48 -3.08 -0.06 0.00 -0.75 0.00 0.00 64.21 60.80 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 -1.50 3.85 0.41 -1.46 0.04 -1.25 -4.14 135.00 130.95 1imu s PRO 37 Ca 0.07 0.31 0.03 0.00 0.04 0.00 0.00 61.00 61.45 1imu s PRO 37 Cb -0.01 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 1imu s PRO 37 CO 0.41 0.63 0.07 -1.01 0.04 0.00 0.00 177.00 177.14 1imu s HIS 38 N -1.23 1.91 -0.31 0.56 3.76 0.50 -0.28 115.29 120.19 1imu s HIS 38 Ca 0.28 -1.08 0.02 0.00 -0.15 0.00 0.00 55.06 54.13 1imu s HIS 38 Cb -0.15 -1.34 0.16 0.00 1.11 0.00 0.00 32.58 32.35 1imu s HIS 38 CO 0.15 -0.04 0.40 -0.06 -0.85 0.00 0.00 174.74 174.34 1imu s PHE 39 N -3.11 -0.87 -0.76 1.40 0.40 0.44 -2.91 117.98 112.57 1imu s PHE 39 Ca 0.23 0.08 -0.20 0.00 -0.60 0.00 0.00 56.93 56.44 1imu s PHE 39 Cb 0.04 -0.21 0.10 0.00 0.51 0.00 0.00 43.02 43.46 1imu s PHE 39 CO 0.12 -0.99 0.99 0.08 0.70 0.00 0.00 175.22 176.12 1imu s VAL 40 N 2.33 4.58 0.02 -0.44 1.01 0.12 -1.21 120.40 126.81 1imu s VAL 40 Ca 0.11 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1imu s VAL 40 Cb -0.13 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.53 1imu s VAL 40 CO -0.26 -1.42 0.04 -1.48 0.00 0.00 0.00 175.10 171.98 1imu s LEU 41 N 3.24 3.66 0.22 3.92 2.34 -1.26 0.20 118.68 131.00 1imu s LEU 41 Ca 0.25 0.01 -0.13 0.00 0.06 0.00 0.00 54.13 54.32 1imu s LEU 41 Cb -0.13 -2.19 -0.00 0.00 -0.56 0.00 0.00 46.19 43.31 1imu s LEU 41 CO 0.01 0.25 0.44 0.20 -1.06 0.00 0.00 176.35 176.19 1imu s ASN 42 N -1.84 -0.09 0.35 1.48 0.01 0.42 -3.38 114.94 111.89 1imu s ASN 42 Ca 0.23 -0.84 0.06 0.00 -0.71 0.00 0.00 52.86 51.60 1imu s ASN 42 Cb -0.12 0.55 -0.07 0.00 0.41 0.00 0.00 41.25 42.02 1imu s ASN 42 CO 0.14 -1.07 0.00 -0.75 -1.51 0.00 0.00 177.10 173.92 1imu s LYS 43 N -3.98 1.75 0.01 -0.60 2.20 -1.25 -0.12 119.74 117.74 1imu s LYS 43 Ca 0.19 -1.95 -0.28 0.00 -0.36 0.00 0.00 55.97 53.57 1imu s LYS 43 Cb 0.00 -1.27 0.10 0.00 -1.51 0.00 0.00 37.83 35.15 1imu s LYS 43 CO 0.05 -0.06 0.84 0.14 -0.36 0.00 0.00 175.35 175.96 1imu s VAL 44 N -2.97 0.00 0.28 4.02 -7.23 0.47 -4.58 120.40 110.39 1imu s VAL 44 Ca 0.34 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.53 1imu s VAL 44 Cb 0.07 -1.00 0.27 0.00 0.56 0.00 0.00 36.38 36.28 1imu s VAL 44 CO 0.16 0.00 1.77 -0.65 -0.31 0.00 0.00 175.10 176.07 1imu h PRO 45 N 2.08 0.70 -0.00 4.82 0.11 -2.02 0.25 132.00 137.94 1imu h PRO 45 Ca -0.24 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1imu h PRO 45 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1imu h PRO 45 CO 0.32 0.46 0.00 -1.71 -0.21 0.00 0.00 178.00 176.86 1imu n ASN 46 N -4.81 0.07 0.00 -2.05 2.85 -1.26 -4.98 115.26 105.08 1imu n ASN 46 Ca 0.20 -1.26 0.00 0.00 -0.11 0.00 0.00 54.58 53.41 1imu n ASN 46 Cb 0.48 -0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1imu n ASN 46 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1imu n GLY 47 N 0.89 0.76 3.46 8.20 0.00 0.89 -4.32 105.19 115.07 1imu n GLY 47 Ca 0.18 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.79 3.08 -0.28 1.61 0.40 0.41 0.18 117.98 120.59 1imu s PHE 48 Ca 0.00 -0.41 -0.12 0.00 -0.60 0.00 0.00 56.93 55.80 1imu s PHE 48 Cb 0.00 -2.16 -0.05 0.00 0.51 0.00 0.00 43.02 41.32 1imu s PHE 48 CO 0.00 -0.27 0.21 -1.54 0.70 0.00 0.00 175.22 174.32 1imu s SER 49 N 1.26 6.05 0.08 1.36 1.04 0.83 -0.89 113.70 123.43 1imu s SER 49 Ca 0.04 0.03 0.06 0.00 0.48 0.00 0.00 55.95 56.56 1imu s SER 49 Cb -0.15 -2.13 -0.03 0.00 0.10 0.00 0.00 66.02 63.81 1imu s SER 49 CO 0.02 -0.06 -0.16 0.54 0.98 0.00 0.00 173.24 174.56 1imu s VAL 50 N 1.77 1.26 -0.15 5.02 0.11 0.98 0.16 120.40 129.55 1imu s VAL 50 Ca 0.08 -1.34 -0.10 0.00 -2.93 0.00 0.00 61.98 57.68 1imu s VAL 50 Cb -0.16 -1.19 0.05 0.00 -1.53 0.00 0.00 36.38 33.55 1imu s VAL 50 CO 0.11 -0.17 0.38 -0.70 -3.33 0.00 0.00 175.10 171.39 1imu s GLU 51 N -1.74 0.39 0.19 1.54 2.12 0.13 0.61 118.70 121.94 1imu s GLU 51 Ca 0.00 0.65 0.09 0.00 0.36 0.00 0.00 54.97 56.07 1imu s GLU 51 Cb -0.10 0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.32 1imu s GLU 51 CO 0.03 -0.11 -0.11 0.00 -0.54 0.00 0.00 175.26 174.52 1imu s ALA 52 N 0.87 2.90 -0.22 6.30 0.00 0.92 0.13 121.76 132.67 1imu s ALA 52 Ca -0.05 -1.50 -0.03 0.00 0.00 0.00 0.00 51.96 50.37 1imu s ALA 52 Cb -0.06 -0.69 0.11 0.00 0.00 0.00 0.00 23.12 22.48 1imu s ALA 52 CO -0.07 0.45 0.28 -1.12 0.00 0.00 0.00 175.76 175.31 1imu s SER 53 N -2.84 0.98 -0.00 0.00 0.01 -1.14 -0.02 113.70 110.68 1imu s SER 53 Ca 0.25 -0.07 0.04 0.00 1.31 0.00 0.00 55.95 57.47 1imu s SER 53 Cb -0.09 0.65 -0.01 0.00 0.21 0.00 0.00 66.02 66.78 1imu s SER 53 CO 0.15 -0.32 -0.12 -0.63 0.41 0.00 0.00 173.24 172.73 1imu s ILE 54 N 2.41 0.94 0.13 1.44 1.01 0.19 -0.37 121.20 126.94 1imu s ILE 54 Ca 0.09 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 1imu s ILE 54 Cb -0.16 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.47 1imu s ILE 54 CO -0.14 0.23 0.34 -0.83 0.00 0.00 0.00 174.94 174.54 1imu s GLY 55 N -0.38 2.16 -0.00 6.18 0.00 -1.13 0.20 107.32 114.35 1imu s GLY 55 Ca 0.04 -0.67 0.01 0.00 0.00 0.00 0.00 44.72 44.10 1imu s GLY 55 CO -0.00 -0.61 -0.03 -0.51 0.00 0.00 0.00 173.10 171.95 1imu s THR 56 N -1.65 0.22 0.31 0.90 -4.23 -1.21 0.18 115.64 110.15 1imu s THR 56 Ca 0.39 -0.10 0.23 0.00 -1.18 0.00 0.00 61.69 61.03 1imu s THR 56 Cb -0.12 -0.20 0.23 0.00 1.34 0.00 0.00 72.50 73.75 1imu s THR 56 CO 0.26 0.07 1.68 -0.65 -0.54 0.00 0.00 174.62 175.44 1imu h PRO 57 N 6.17 0.00 0.00 3.99 0.11 -1.99 0.39 132.00 140.67 1imu h PRO 57 Ca -0.27 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 1imu h PRO 57 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1imu h PRO 57 CO 0.50 0.00 -1.71 1.28 -0.21 0.00 0.00 178.00 177.87 1imu n LEU 58 N -2.50 0.36 0.00 2.35 4.32 -1.26 -5.02 117.00 115.25 1imu n LEU 58 Ca -0.02 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 1imu n LEU 58 Cb 0.29 0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.16 1imu n LEU 58 CO 0.10 0.05 0.00 0.61 -1.22 0.00 0.00 177.39 176.93 1imu n GLY 59 N 1.33 3.56 3.15 -0.72 0.00 0.14 -4.90 105.19 107.74 1imu n GLY 59 Ca -0.08 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.02 -3.81 1.61 4.13 -1.25 -3.33 115.26 109.59 1imu n ASN 60 Ca 0.00 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.14 1imu n ASN 60 Cb 0.00 -0.78 -0.10 0.00 -1.54 0.00 0.00 39.78 37.36 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 3.41 1.17 0.29 3.41 1.02 0.54 -4.72 118.68 123.80 1imu s LEU 61 Ca 0.46 0.12 -0.19 0.00 0.02 0.00 0.00 54.13 54.55 1imu s LEU 61 Cb -0.05 0.92 0.02 0.00 0.02 0.00 0.00 46.19 47.10 1imu s LEU 61 CO 0.68 -0.30 0.70 -0.76 0.02 0.00 0.00 176.35 176.69 1imu s LEU 62 N -0.85 -0.13 -0.01 1.79 1.02 -1.26 0.54 118.68 119.78 1imu s LEU 62 Ca -0.09 -0.75 -0.30 0.00 0.02 0.00 0.00 54.13 53.01 1imu s LEU 62 Cb -0.05 2.62 0.11 0.00 0.02 0.00 0.00 46.19 48.89 1imu s LEU 62 CO 0.02 -1.38 1.10 0.00 0.02 0.00 0.00 176.35 176.11 1imu s ALA 63 N -3.66 -1.96 -0.27 4.21 0.00 0.97 -4.49 121.76 116.56 1imu s ALA 63 Ca 0.13 0.82 -0.25 0.00 0.00 0.00 0.00 51.96 52.66 1imu s ALA 63 Cb -0.05 0.33 0.10 0.00 0.00 0.00 0.00 23.12 23.50 1imu s ALA 63 CO 0.08 -0.87 0.88 -1.54 0.00 0.00 0.00 175.76 174.32 1imu s SER 64 N -2.68 -0.59 -0.14 0.00 1.04 -1.26 -0.05 113.70 110.02 1imu s SER 64 Ca 0.11 1.12 -0.18 0.00 0.48 0.00 0.00 55.95 57.47 1imu s SER 64 Cb 0.01 1.13 0.05 0.00 0.10 0.00 0.00 66.02 67.30 1imu s SER 64 CO -0.04 -0.21 0.48 0.00 0.98 0.00 0.00 173.24 174.46 1imu s ALA 65 N 0.24 -1.21 -0.20 5.32 0.00 0.20 -4.86 121.76 121.25 1imu s ALA 65 Ca 0.01 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.17 1imu s ALA 65 Cb -0.05 -0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.57 1imu s ALA 65 CO -0.02 -0.26 -0.13 0.99 0.00 0.00 0.00 175.76 176.34 1imu s THR 66 N -0.22 1.80 0.02 0.00 2.01 -1.25 -0.01 115.64 117.99 1imu s THR 66 Ca -0.04 -1.06 -0.20 0.00 0.31 0.00 0.00 61.69 60.70 1imu s THR 66 Cb -0.03 -1.81 0.04 0.00 0.01 0.00 0.00 72.50 70.71 1imu s THR 66 CO 0.03 0.24 0.46 -0.44 -0.69 0.00 0.00 174.62 174.21 1imu s SER 67 N 1.34 -0.36 0.00 3.53 0.01 -0.06 -4.85 113.70 113.30 1imu s SER 67 Ca -0.01 0.16 0.15 0.00 1.31 0.00 0.00 55.95 57.57 1imu s SER 67 Cb -0.16 0.44 0.80 0.00 0.21 0.00 0.00 66.02 67.31 1imu s SER 67 CO -0.09 -0.63 1.40 -0.67 0.41 0.00 0.00 173.24 173.66 1imu n ASP 68 N 0.67 0.00 -4.14 2.44 -0.08 -1.26 0.16 116.55 114.34 1imu n ASP 68 Ca -0.19 -0.06 -0.38 0.00 -1.51 0.00 0.00 54.79 52.65 1imu n ASP 68 Cb 0.59 -0.22 -0.09 0.00 2.34 0.00 0.00 41.12 43.74 1imu n ASP 68 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1imu s ASP 69 N -2.43 5.45 0.00 1.67 -1.08 -1.26 -4.76 116.67 114.25 1imu s ASP 69 Ca 0.17 -2.47 -0.00 0.00 -0.52 0.00 0.00 52.55 49.72 1imu s ASP 69 Cb 0.10 -1.90 -0.00 0.00 -1.46 0.00 0.00 42.92 39.66 1imu s ASP 69 CO 0.22 -0.49 0.93 0.23 0.52 0.00 0.00 175.17 176.58 1imu n MET 70 N 4.05 -0.00 0.25 4.34 2.81 -1.26 0.14 117.12 127.44 1imu n MET 70 Ca 0.03 0.93 0.09 0.00 -1.81 0.00 0.00 57.70 56.94 1imu n MET 70 Cb 0.40 -1.39 0.65 0.00 -0.71 0.00 0.00 33.22 32.17 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 -0.14 2.03 -1.99 -1.96 0.73 116.97 115.65 1imu h TYR 71 Ca 0.00 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.54 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 -0.87 0.10 -0.70 -0.22 -0.00 0.00 0.00 178.16 176.47 1imu h LYS 72 N 0.00 0.59 -0.23 4.88 3.64 -1.49 1.53 116.57 125.49 1imu h LYS 72 Ca -0.00 -0.45 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1imu h LYS 72 Cb 0.19 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1imu h LYS 72 CO 0.01 1.07 0.14 0.00 -2.27 0.00 0.00 179.45 178.41 1imu h ALA 73 N 0.81 0.29 -0.51 5.00 0.00 0.27 1.67 119.26 126.79 1imu h ALA 73 Ca -0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1imu h ALA 73 Cb 1.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1imu h ALA 73 CO 0.13 -0.21 0.10 0.82 0.00 0.00 0.00 179.25 180.09 1imu h ILE 74 N 0.29 1.22 -0.80 0.00 5.03 -0.75 0.29 117.51 122.79 1imu h ILE 74 Ca 0.08 -0.83 0.04 0.00 -0.12 0.00 0.00 64.86 64.04 1imu h ILE 74 Cb 0.00 0.73 -0.05 0.00 -3.03 0.00 0.00 36.82 34.47 1imu h ILE 74 CO -0.02 0.30 0.53 -1.13 -0.68 0.00 0.00 178.15 177.15 1imu h ASN 75 N 0.75 0.84 0.24 1.72 -0.73 0.45 0.16 115.58 119.01 1imu h ASN 75 Ca 0.16 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.32 1imu h ASN 75 Cb 0.31 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.72 1imu h ASN 75 CO 0.00 0.57 -0.11 -0.08 -0.37 0.00 0.00 177.43 177.43 1imu h GLU 76 N 0.96 -0.31 -0.48 6.67 4.81 0.43 -2.70 114.58 123.96 1imu h GLU 76 Ca 0.33 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.67 1imu h GLU 76 Cb 0.08 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.43 1imu h GLU 76 CO -0.10 0.02 -0.28 0.28 -0.73 0.00 0.00 179.01 178.20 1imu h VAL 77 N -0.95 0.26 -0.82 0.32 2.07 -0.23 0.60 116.25 117.50 1imu h VAL 77 Ca -0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.63 1imu h VAL 77 Cb 0.47 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1imu h VAL 77 CO 0.05 0.00 0.53 -0.08 0.02 0.00 0.00 177.57 178.10 1imu h GLU 78 N -0.18 0.55 -0.40 1.57 4.57 -0.79 0.75 114.58 120.65 1imu h GLU 78 Ca 0.21 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.26 1imu h GLU 78 Cb 0.52 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1imu h GLU 78 CO -0.58 0.36 -0.12 1.49 -1.18 0.00 0.00 179.01 178.98 1imu h GLU 79 N 0.56 0.78 0.32 1.92 4.81 0.37 0.36 114.58 123.71 1imu h GLU 79 Ca 0.40 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1imu h GLU 79 Cb 0.75 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1imu h GLU 79 CO -0.16 0.92 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.67 1imu h LYS 80 N 0.60 -0.42 -0.61 1.92 1.63 0.21 0.42 116.57 120.32 1imu h LYS 80 Ca 0.10 0.03 0.10 0.00 -0.85 0.00 0.00 60.65 60.03 1imu h LYS 80 Cb 0.65 0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 32.30 1imu h LYS 80 CO 0.04 -0.11 0.20 -0.07 -3.45 0.00 0.00 179.45 176.06 1imu h LEU 81 N -0.73 0.17 -0.42 5.20 -0.00 0.39 0.38 115.31 120.30 1imu h LEU 81 Ca -0.04 0.09 -0.03 0.00 -0.00 0.00 0.00 57.88 57.89 1imu h LEU 81 Cb 0.50 0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.22 1imu h LEU 81 CO 0.07 0.10 0.14 -0.08 -0.00 0.00 0.00 178.44 178.67 1imu h GLU 82 N 0.37 0.65 -0.36 1.13 4.81 -0.19 0.12 114.58 121.10 1imu h GLU 82 Ca 0.31 -0.14 0.06 0.00 -0.13 0.00 0.00 59.36 59.46 1imu h GLU 82 Cb 0.41 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 1imu h GLU 82 CO -0.33 0.63 0.03 0.00 -0.73 0.00 0.00 179.01 178.61 1imu h ARG 83 N 0.53 0.13 -0.41 1.92 3.08 0.14 0.31 114.38 120.09 1imu h ARG 83 Ca 0.14 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 1imu h ARG 83 Cb 0.25 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1imu h ARG 83 CO -0.01 0.09 0.05 1.96 -1.07 0.00 0.00 179.97 180.99 1imu h GLN 84 N 0.14 0.63 0.91 0.04 4.20 -0.04 0.28 115.11 121.27 1imu h GLN 84 Ca 0.17 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1imu h GLN 84 Cb 0.22 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 27.91 1imu h GLN 84 CO -0.26 0.62 -0.47 -0.07 -0.67 0.00 0.00 178.83 177.97 1imu h LEU 85 N 0.61 -1.15 -0.83 1.46 3.38 0.13 0.38 115.31 119.29 1imu h LEU 85 Ca 0.13 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.23 1imu h LEU 85 Cb 0.31 0.31 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 1imu h LEU 85 CO 0.01 -0.78 0.50 -1.13 0.09 0.00 0.00 178.44 177.12 1imu h ASN 86 N -1.27 0.74 -0.44 -0.43 -0.73 -0.30 0.29 115.58 113.44 1imu h ASN 86 Ca -0.12 0.03 0.05 0.00 1.87 0.00 0.00 56.30 58.12 1imu h ASN 86 Cb 0.99 -0.12 -0.04 0.00 0.27 0.00 0.00 38.32 39.42 1imu h ASN 86 CO 0.18 0.45 0.19 0.11 -0.37 0.00 0.00 177.43 177.99 1imu h LYS 87 N 0.86 0.38 0.82 6.67 1.57 -0.15 1.12 116.57 127.84 1imu h LYS 87 Ca 0.38 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.10 1imu h LYS 87 Cb 0.27 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1imu h LYS 87 CO -0.21 0.25 -0.48 1.25 -0.57 0.00 0.00 179.45 179.69 1imu h LEU 88 N 0.39 -1.20 -2.10 2.94 7.12 0.11 0.84 115.31 123.42 1imu h LEU 88 Ca 0.20 0.06 0.08 0.00 0.13 0.00 0.00 57.88 58.35 1imu h LEU 88 Cb 0.15 0.34 -0.01 0.00 -0.53 0.00 0.00 40.66 40.61 1imu h LEU 88 CO -0.17 -0.75 0.24 1.56 -0.13 0.00 0.00 178.44 179.19 1imu h GLN 89 N -1.21 0.00 0.07 1.25 4.20 -0.67 -2.17 115.11 116.57 1imu h GLN 89 Ca -0.11 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1imu h GLN 89 Cb 0.96 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1imu h GLN 89 CO 0.13 0.00 -0.03 0.45 -0.67 0.00 0.00 178.83 178.71 1imu h HIS 90 N 0.00 -0.08 -1.75 2.96 3.86 0.22 -3.46 115.15 116.90 1imu h HIS 90 Ca 0.14 -0.00 -0.46 0.00 -1.16 0.00 0.00 60.37 58.88 1imu h HIS 90 Cb 0.62 0.03 0.24 0.00 1.06 0.00 0.00 27.41 29.36 1imu h HIS 90 CO 0.00 0.50 -1.74 1.17 0.86 0.00 0.00 177.93 178.72 1imu n LYS 91 N -4.79 -0.99 -0.13 2.45 3.00 0.28 -4.97 118.16 113.02 1imu n LYS 91 Ca -0.08 -0.28 -0.25 0.00 -0.00 0.00 0.00 58.31 57.71 1imu n LYS 91 Cb 0.30 -1.41 -0.11 0.00 0.00 0.00 0.00 35.03 33.82 1imu n LYS 91 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1imu n SER 92 N 0.44 1.97 -1.09 3.14 7.64 -1.26 -4.81 113.62 119.65 1imu n SER 92 Ca -0.00 0.18 -0.02 0.00 1.01 0.00 0.00 58.87 60.03 1imu n SER 92 Cb 0.67 -0.69 -0.03 0.00 -1.01 0.00 0.00 64.21 63.15 1imu n SER 92 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1imu n GLU 93 N -3.89 0.00 -2.93 1.43 0.28 -1.26 -5.06 120.64 109.21 1imu n GLU 93 Ca -0.49 -1.26 -0.11 0.00 -0.16 0.00 0.00 57.16 55.14 1imu n GLU 93 Cb 0.92 0.19 0.01 0.00 1.43 0.00 0.00 31.44 33.99 1imu n GLU 93 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1imu n SER 94 N 0.18 -7.69 0.00 -1.84 7.64 -1.26 -5.01 113.62 105.64 1imu n SER 94 Ca -0.11 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1imu n SER 94 Cb 0.84 -5.00 0.00 0.00 -1.01 0.00 0.00 64.21 59.04 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 -0.38 0.00 -4.08 1.43 5.12 -1.26 -5.14 116.66 112.35 1imu n ARG 95 Ca 0.09 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.87 1imu n ARG 95 Cb 0.49 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.65 1imu n ARG 95 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1imu s ARG 96 N -0.44 0.40 -0.09 5.56 0.52 -1.26 -5.14 118.95 118.50 1imu s ARG 96 Ca 0.00 -0.36 -0.21 0.00 -0.52 0.00 0.00 55.73 54.64 1imu s ARG 96 Cb 0.00 -0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.14 1imu s ARG 96 CO 0.00 0.07 0.62 0.00 0.02 0.00 0.00 175.30 176.01 1imu s ALA 97 N -0.56 3.39 -0.32 2.13 0.00 -1.26 -4.92 121.76 120.22 1imu s ALA 97 Ca -0.03 0.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.83 1imu s ALA 97 Cb -0.05 -2.85 0.19 0.00 0.00 0.00 0.00 23.12 20.41 1imu s ALA 97 CO -0.00 -0.08 1.06 0.34 0.00 0.00 0.00 175.76 177.08 1imu s ASP 98 N 0.75 -0.29 0.14 0.00 -1.08 -1.26 -5.06 116.67 109.88 1imu s ASP 98 Ca 0.33 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 52.24 1imu s ASP 98 Cb -0.17 0.45 0.00 0.00 -1.46 0.00 0.00 42.92 41.74 1imu s ASP 98 CO 0.15 -0.03 0.00 -1.84 0.52 0.00 0.00 175.17 173.97 1imu n GLU 99 N 3.81 0.00 -2.36 4.34 0.28 -1.26 -5.15 120.64 120.31 1imu n GLU 99 Ca 0.06 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.06 1imu n GLU 99 Cb 0.63 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.50 1imu n GLU 99 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1imu n ARG 100 N -2.91 -5.15 0.05 3.44 5.12 -1.26 -4.93 116.66 111.02 1imu n ARG 100 Ca 0.00 3.73 -0.20 0.00 -1.93 0.00 0.00 57.85 59.45 1imu n ARG 100 Cb 0.00 -4.69 -0.14 0.00 -1.16 0.00 0.00 32.46 26.48 1imu n ARG 100 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1imu h LEU 101 N 4.32 0.59 -0.53 0.55 -0.00 -2.06 -3.50 115.31 114.67 1imu h LEU 101 Ca -0.00 -0.88 0.34 0.00 -0.00 0.00 0.00 57.88 57.34 1imu h LEU 101 Cb 0.00 -0.19 -0.17 0.00 -0.00 0.00 0.00 40.66 40.31 1imu h LEU 101 CO 0.00 1.41 -1.11 0.29 -0.00 0.00 0.00 178.44 179.04 1imu n LYS 102 N -4.06 -3.15 0.00 1.13 5.02 -1.26 -4.65 118.16 111.18 1imu n LYS 102 Ca -0.13 2.51 0.00 0.00 -2.02 0.00 0.00 58.31 58.66 1imu n LYS 102 Cb 0.84 -3.71 0.00 0.00 -0.02 0.00 0.00 35.03 32.14 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 -4.26 0.00 -2.19 4.39 9.92 -1.26 -4.85 116.55 118.31 1imu n ASP 103 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1imu n ASP 103 Cb 0.66 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.14 1imu n ASP 103 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1imu n SER 104 N 1.83 -9.11 -4.37 -2.24 7.64 -1.26 -4.99 113.62 101.11 1imu n SER 104 Ca 0.00 1.61 -0.34 0.00 1.01 0.00 0.00 58.87 61.15 1imu n SER 104 Cb 0.00 -5.03 -0.14 0.00 -1.01 0.00 0.00 64.21 58.03 1imu n SER 104 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1imu s PHE 105 N -0.55 2.92 0.26 1.43 5.36 -1.26 -5.10 117.98 121.04 1imu s PHE 105 Ca 0.00 -0.69 0.02 0.00 -0.96 0.00 0.00 56.93 55.30 1imu s PHE 105 Cb 0.00 -1.98 -0.04 0.00 -0.34 0.00 0.00 43.02 40.66 1imu s PHE 105 CO 0.00 -0.31 0.17 -1.83 -1.46 0.00 0.00 175.22 171.79 1imu s GLU 106 N 0.82 1.44 0.00 10.12 -1.05 -1.26 -5.29 118.70 123.47 1imu s GLU 106 Ca -0.02 -1.80 0.25 0.00 -0.15 0.00 0.00 54.97 53.25 1imu s GLU 106 Cb -0.15 0.16 0.35 0.00 -0.44 0.00 0.00 34.13 34.05 1imu s GLU 106 CO 0.01 -0.46 1.35 -1.71 0.95 0.00 0.00 175.26 175.40