#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 -2.09 2.03 -1.04 -1.26 -4.67 114.28 107.26 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 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 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 -3.50 -4.90 -4.42 0.00 -1.26 -4.74 117.00 98.19 1imu n LEU 3 Ca 0.00 2.10 -0.30 0.00 0.00 0.00 0.00 56.01 57.81 1imu n LEU 3 Cb 0.00 -2.45 -0.04 0.00 0.00 0.00 0.00 43.42 40.94 1imu n LEU 3 CO 0.00 -1.95 0.20 0.20 0.00 0.00 0.00 177.39 175.84 1imu s ASN 4 N -0.31 6.49 0.02 1.96 0.01 0.94 -4.82 114.94 119.23 1imu s ASN 4 Ca 0.00 0.76 0.06 0.00 -0.71 0.00 0.00 52.86 52.97 1imu s ASN 4 Cb 0.00 -2.16 -0.02 0.00 0.41 0.00 0.00 41.25 39.48 1imu s ASN 4 CO 0.00 -0.15 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.64 1imu s ILE 5 N -1.99 1.38 -0.02 0.60 1.09 -1.26 -0.12 121.20 120.88 1imu s ILE 5 Ca 0.45 -0.96 -0.03 0.00 -1.10 0.00 0.00 60.65 59.00 1imu s ILE 5 Cb -0.11 -1.20 -0.01 0.00 -1.06 0.00 0.00 42.46 40.08 1imu s ILE 5 CO 0.27 0.21 -0.06 0.41 -0.10 0.00 0.00 174.94 175.68 1imu n THR 6 N 2.17 0.38 -2.76 2.92 -1.04 -0.70 -4.90 114.28 110.35 1imu n THR 6 Ca -0.16 0.29 -0.03 0.00 -2.04 0.00 0.00 64.05 62.10 1imu n THR 6 Cb 0.54 -1.50 -0.03 0.00 -1.82 0.00 0.00 70.33 67.52 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 -2.93 -3.43 -0.16 8.00 7.64 -1.25 -4.89 113.62 116.60 1imu n SER 7 Ca -0.02 1.22 -0.09 0.00 1.01 0.00 0.00 58.87 60.99 1imu n SER 7 Cb 0.09 -3.76 0.00 0.00 -1.01 0.00 0.00 64.21 59.52 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 4.50 0.75 0.00 1.43 2.10 -1.95 -3.43 116.57 119.96 1imu h LYS 8 Ca -0.32 -0.18 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1imu h LYS 8 Cb 0.73 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 1imu h LYS 8 CO 0.01 0.74 0.00 0.00 -2.00 0.00 0.00 179.45 178.19 1imu n GLN 9 N -4.49 0.00 -1.48 0.07 10.64 -1.26 -4.91 117.38 115.94 1imu n GLN 9 Ca 0.01 0.00 -0.46 0.00 -1.83 0.00 0.00 57.00 54.72 1imu n GLN 9 Cb 0.22 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.53 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 0.96 -0.02 2.61 0.00 -1.26 -4.91 117.12 114.50 1imu n MET 10 Ca 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 57.70 57.88 1imu n MET 10 Cb 0.00 -2.58 0.02 0.00 0.00 0.00 0.00 33.22 30.66 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 11.39 -1.96 -4.84 3.17 8.00 -1.26 -4.79 116.55 126.27 1imu n ASP 11 Ca 0.43 -0.06 -0.32 0.00 0.71 0.00 0.00 54.79 55.55 1imu n ASP 11 Cb 0.28 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 1imu n ASP 11 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1imu s ILE 12 N -0.99 4.99 0.26 0.53 -0.00 -1.26 -5.03 121.20 119.70 1imu s ILE 12 Ca 0.05 -0.40 -0.03 0.00 -0.00 0.00 0.00 60.65 60.27 1imu s ILE 12 Cb -0.01 -3.34 -0.02 0.00 -0.00 0.00 0.00 42.46 39.09 1imu s ILE 12 CO 0.04 0.27 0.32 0.42 -0.00 0.00 0.00 174.94 175.99 1imu s THR 13 N -1.31 0.00 0.29 8.37 -4.23 -1.26 -4.96 115.64 112.54 1imu s THR 13 Ca 0.27 -1.76 -0.04 0.00 -1.18 0.00 0.00 61.69 58.99 1imu s THR 13 Cb -0.12 -2.46 0.41 0.00 1.34 0.00 0.00 72.50 71.67 1imu s THR 13 CO 0.19 0.00 1.58 -0.65 -0.54 0.00 0.00 174.62 175.19 1imu h PRO 14 N 2.34 0.02 0.00 3.99 0.11 -1.99 0.23 132.00 136.69 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 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1imu h PRO 14 CO 0.43 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.23 1imu n ALA 15 N -3.29 -0.19 -0.05 -0.75 0.00 -1.26 -0.10 120.51 114.87 1imu n ALA 15 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.53 1imu n ALA 15 Cb 0.61 0.08 -0.07 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.69 0.00 5.03 -1.88 0.90 117.51 120.86 1imu h ILE 16 Ca 0.00 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.80 1imu h ILE 16 Cb 0.00 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 33.71 1imu h ILE 16 CO 0.00 0.00 -0.42 -0.09 -0.68 0.00 0.00 178.15 176.96 1imu h ARG 17 N -0.32 -0.01 -0.99 2.37 2.43 -0.62 0.81 114.38 118.06 1imu h ARG 17 Ca 0.04 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1imu h ARG 17 Cb 0.42 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.91 1imu h ARG 17 CO -0.35 -0.01 0.63 1.49 -1.51 0.00 0.00 179.97 180.23 1imu h GLU 18 N -0.01 1.10 0.05 0.20 4.57 -0.07 0.30 114.58 120.73 1imu h GLU 18 Ca 0.11 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1imu h GLU 18 Cb 0.30 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1imu h GLU 18 CO -0.66 0.73 -0.03 1.25 -1.18 0.00 0.00 179.01 179.13 1imu h HIS 19 N 1.14 -0.07 -0.56 0.92 2.76 0.51 0.60 115.15 120.45 1imu h HIS 19 Ca 0.43 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.71 1imu h HIS 19 Cb 0.19 0.02 -0.11 0.00 1.55 0.00 0.00 27.41 29.07 1imu h HIS 19 CO -0.01 -0.04 -0.26 -0.07 -1.30 0.00 0.00 177.93 176.25 1imu h LEU 20 N -0.07 -0.91 -0.07 0.26 3.38 0.50 0.35 115.31 118.76 1imu h LEU 20 Ca -0.01 0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1imu h LEU 20 Cb 0.06 0.49 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1imu h LEU 20 CO 0.01 -0.27 -0.24 -0.33 0.09 0.00 0.00 178.44 177.70 1imu h GLU 21 N -0.12 -0.33 -0.65 1.13 5.08 -0.37 0.25 114.58 119.57 1imu h GLU 21 Ca 0.25 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.73 1imu h GLU 21 Cb 0.52 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.76 1imu h GLU 21 CO -0.64 -0.22 0.26 1.49 -1.00 0.00 0.00 179.01 178.91 1imu h GLU 22 N -0.34 0.44 -0.69 2.33 4.81 0.17 0.37 114.58 121.67 1imu h GLU 22 Ca 0.08 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1imu h GLU 22 Cb 0.46 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 1imu h GLU 22 CO -0.26 0.29 0.42 0.00 -0.73 0.00 0.00 179.01 178.73 1imu h ARG 23 N 0.45 0.78 0.39 1.92 2.47 0.77 0.26 114.38 121.42 1imu h ARG 23 Ca 0.33 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.99 1imu h ARG 23 Cb 0.42 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1imu h ARG 23 CO -0.32 0.51 -0.19 1.25 0.56 0.00 0.00 179.97 181.79 1imu h LEU 24 N 0.80 -0.44 -1.99 3.04 5.85 0.15 0.35 115.31 123.07 1imu h LEU 24 Ca 0.29 -0.05 0.16 0.00 0.84 0.00 0.00 57.88 59.11 1imu h LEU 24 Cb 0.07 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1imu h LEU 24 CO -0.13 -0.22 0.39 0.00 -0.34 0.00 0.00 178.44 178.14 1imu h ALA 25 N -0.08 2.51 0.07 1.25 0.00 0.03 0.37 119.26 123.41 1imu h ALA 25 Ca -0.05 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 1imu h ALA 25 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1imu h ALA 25 CO 0.09 -0.66 -1.09 -0.22 0.00 0.00 0.00 179.25 177.37 1imu h LYS 26 N 0.01 0.34 -0.00 0.00 1.63 0.16 -3.13 116.57 115.58 1imu h LYS 26 Ca 0.26 -0.45 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 1imu h LYS 26 Cb 1.03 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1imu h LYS 26 CO -0.01 1.16 -0.00 1.28 -3.45 0.00 0.00 179.45 178.43 1imu n LEU 27 N -3.64 0.00 -0.13 5.20 4.77 0.12 -3.50 117.00 119.81 1imu n LEU 27 Ca -0.08 0.47 -0.04 0.00 -0.03 0.00 0.00 56.01 56.33 1imu n LEU 27 Cb 0.93 -0.47 0.15 0.00 -2.33 0.00 0.00 43.42 41.70 1imu n LEU 27 CO 0.52 0.00 0.91 1.23 -1.33 0.00 0.00 177.39 178.73 1imu h GLY 28 N 5.00 0.91 1.55 -0.72 0.00 -0.41 -2.05 103.07 107.36 1imu h GLY 28 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1imu h GLY 28 CO 0.00 0.54 0.00 0.58 0.00 0.00 0.00 176.54 177.66 1imu n LYS 29 N -4.23 0.38 -0.99 4.80 2.85 -1.23 -4.27 118.16 115.47 1imu n LYS 29 Ca 0.03 0.04 -0.28 0.00 -1.05 0.00 0.00 58.31 57.06 1imu n LYS 29 Cb 0.27 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.12 1imu n LYS 29 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1imu n TRP 30 N -1.28 1.62 -2.87 5.58 7.02 -0.77 -4.66 117.44 122.08 1imu n TRP 30 Ca 0.13 -2.34 -0.19 0.00 -1.02 0.00 0.00 57.50 54.07 1imu n TRP 30 Cb 0.20 -1.98 -0.04 0.00 -2.42 0.00 0.00 31.31 27.08 1imu n TRP 30 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1imu n GLN 31 N 3.70 -0.98 -4.05 -0.99 -0.06 -1.26 -4.81 117.38 108.93 1imu n GLN 31 Ca 0.58 0.06 -0.09 0.00 -2.00 0.00 0.00 57.00 55.55 1imu n GLN 31 Cb 0.26 -2.36 -0.09 0.00 -4.06 0.00 0.00 30.24 24.00 1imu n GLN 31 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1imu s THR 32 N -2.01 0.10 -0.52 1.69 2.01 -1.26 -5.07 115.64 110.59 1imu s THR 32 Ca 0.38 -1.65 0.04 0.00 0.31 0.00 0.00 61.69 60.76 1imu s THR 32 Cb -0.22 -1.86 0.14 0.00 0.01 0.00 0.00 72.50 70.57 1imu s THR 32 CO 0.46 -0.47 0.29 0.00 -0.69 0.00 0.00 174.62 174.21 1imu s GLN 33 N -3.99 1.79 -0.92 4.92 0.00 -1.26 -4.77 119.66 115.44 1imu s GLN 33 Ca 0.18 -2.52 -0.29 0.00 -0.00 0.00 0.00 55.36 52.74 1imu s GLN 33 Cb 0.06 -2.96 -0.20 0.00 0.00 0.00 0.00 33.01 29.90 1imu s GLN 33 CO -0.01 -1.16 2.61 1.28 0.00 0.00 0.00 175.29 178.01 1imu n LEU 34 N 3.07 0.51 -4.56 2.60 4.32 -1.26 -4.52 117.00 117.16 1imu n LEU 34 Ca 0.09 -0.01 -0.37 0.00 -0.02 0.00 0.00 56.01 55.70 1imu n LEU 34 Cb 0.34 -1.01 -0.03 0.00 -1.62 0.00 0.00 43.42 41.09 1imu n LEU 34 CO 0.29 -0.94 1.48 -0.63 -1.22 0.00 0.00 177.39 176.37 1imu s ILE 35 N 8.97 3.79 -0.21 -0.08 1.01 0.32 -4.46 121.20 130.55 1imu s ILE 35 Ca 1.29 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 61.15 1imu s ILE 35 Cb -1.04 -4.77 0.02 0.00 0.01 0.00 0.00 42.46 36.68 1imu s ILE 35 CO 0.45 -1.65 0.09 -0.24 0.00 0.00 0.00 174.94 173.60 1imu n SER 36 N 10.42 -5.13 -4.85 3.58 2.88 -1.26 -3.06 113.62 116.20 1imu n SER 36 Ca 0.36 1.27 -0.37 0.00 -1.33 0.00 0.00 58.87 58.80 1imu n SER 36 Cb 0.49 -4.65 -0.06 0.00 -0.75 0.00 0.00 64.21 59.24 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 -1.11 3.70 0.36 -1.46 0.04 -1.26 -3.80 135.00 131.48 1imu s PRO 37 Ca -0.10 0.07 0.04 0.00 0.04 0.00 0.00 61.00 61.05 1imu s PRO 37 Cb 0.01 -3.23 -0.06 0.00 0.04 0.00 0.00 34.50 31.26 1imu s PRO 37 CO 0.65 0.69 0.06 -1.01 0.04 0.00 0.00 177.00 177.42 1imu s HIS 38 N -0.87 2.04 -0.29 0.56 3.76 -0.25 -0.04 115.29 120.20 1imu s HIS 38 Ca 0.18 -0.95 0.01 0.00 -0.15 0.00 0.00 55.06 54.15 1imu s HIS 38 Cb -0.14 -1.38 0.15 0.00 1.11 0.00 0.00 32.58 32.33 1imu s HIS 38 CO 0.07 0.06 0.39 -0.06 -0.85 0.00 0.00 174.74 174.35 1imu s PHE 39 N -3.15 -0.90 -1.15 1.40 0.40 0.83 -2.95 117.98 112.45 1imu s PHE 39 Ca 0.32 0.28 -0.15 0.00 -0.60 0.00 0.00 56.93 56.78 1imu s PHE 39 Cb 0.08 -0.20 0.15 0.00 0.51 0.00 0.00 43.02 43.56 1imu s PHE 39 CO 0.15 -0.95 1.40 0.08 0.70 0.00 0.00 175.22 176.60 1imu s VAL 40 N 2.51 4.88 0.01 -0.44 1.01 0.38 -1.72 120.40 127.03 1imu s VAL 40 Ca 0.10 -2.33 -0.19 0.00 0.00 0.00 0.00 61.98 59.56 1imu s VAL 40 Cb -0.13 -4.91 -0.06 0.00 0.00 0.00 0.00 36.38 31.28 1imu s VAL 40 CO -0.29 -1.64 0.55 -0.22 0.00 0.00 0.00 175.10 173.50 1imu s LEU 41 N 2.08 4.45 0.14 3.92 2.96 -1.26 -0.00 118.68 130.97 1imu s LEU 41 Ca 0.42 1.14 -0.12 0.00 -0.22 0.00 0.00 54.13 55.35 1imu s LEU 41 Cb -0.03 -2.85 0.01 0.00 0.50 0.00 0.00 46.19 43.82 1imu s LEU 41 CO -0.01 0.18 0.33 0.20 -1.32 0.00 0.00 176.35 175.73 1imu s ASN 42 N -0.55 -0.05 0.16 3.68 0.01 0.28 -3.75 114.94 114.72 1imu s ASN 42 Ca 0.29 -0.62 0.04 0.00 -0.71 0.00 0.00 52.86 51.86 1imu s ASN 42 Cb -0.18 0.44 -0.05 0.00 0.41 0.00 0.00 41.25 41.88 1imu s ASN 42 CO 0.17 -0.87 -0.08 -0.75 -1.51 0.00 0.00 177.10 174.05 1imu s LYS 43 N -3.89 1.12 0.04 -0.60 2.20 -1.26 -0.08 119.74 117.27 1imu s LYS 43 Ca 0.09 -1.50 -0.27 0.00 -0.36 0.00 0.00 55.97 53.94 1imu s LYS 43 Cb 0.03 -0.63 0.07 0.00 -1.51 0.00 0.00 37.83 35.78 1imu s LYS 43 CO -0.06 0.05 0.62 0.14 -0.36 0.00 0.00 175.35 175.73 1imu s VAL 44 N -3.34 0.01 0.25 4.02 -7.23 0.13 -4.74 120.40 109.50 1imu s VAL 44 Ca 0.19 -0.05 -0.07 0.00 -1.81 0.00 0.00 61.98 60.24 1imu s VAL 44 Cb 0.03 -0.99 0.30 0.00 0.56 0.00 0.00 36.38 36.28 1imu s VAL 44 CO 0.02 -0.03 1.62 -0.65 -0.31 0.00 0.00 175.10 175.76 1imu h PRO 45 N 2.63 0.07 -1.00 4.82 0.11 -2.02 0.22 132.00 136.83 1imu h PRO 45 Ca -0.30 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.76 1imu h PRO 45 Cb 1.21 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1imu h PRO 45 CO 0.39 0.05 0.06 0.27 -0.21 0.00 0.00 178.00 178.55 1imu n ASN 46 N -5.39 3.00 0.00 -2.05 0.23 -1.26 -4.93 115.26 104.85 1imu n ASN 46 Ca 0.14 -2.14 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 1imu n ASN 46 Cb 0.48 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 1imu n ASN 46 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1imu n GLY 47 N 0.34 1.55 3.76 4.83 0.00 0.76 -4.70 105.19 111.73 1imu n GLY 47 Ca 0.05 -2.24 -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 -1.39 3.38 -0.21 1.61 0.40 0.53 0.23 117.98 122.53 1imu s PHE 48 Ca 0.00 0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 56.61 1imu s PHE 48 Cb 0.00 -1.95 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 1imu s PHE 48 CO 0.00 0.49 -0.04 -1.54 0.70 0.00 0.00 175.22 174.83 1imu s SER 49 N -0.54 4.38 -0.10 1.36 1.04 0.88 -0.72 113.70 120.02 1imu s SER 49 Ca 0.11 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.20 1imu s SER 49 Cb -0.12 -1.75 0.02 0.00 0.10 0.00 0.00 66.02 64.27 1imu s SER 49 CO 0.02 0.01 -0.13 -0.69 0.98 0.00 0.00 173.24 173.42 1imu s VAL 50 N 1.33 1.32 -0.09 5.02 1.01 0.97 0.10 120.40 130.06 1imu s VAL 50 Ca 0.04 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1imu s VAL 50 Cb -0.14 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.04 1imu s VAL 50 CO -0.02 0.40 -0.08 -0.70 0.00 0.00 0.00 175.10 174.70 1imu s GLU 51 N 1.00 1.47 0.18 2.72 2.12 0.99 -0.18 118.70 126.99 1imu s GLU 51 Ca -0.07 -0.28 0.07 0.00 0.36 0.00 0.00 54.97 55.06 1imu s GLU 51 Cb -0.15 -1.41 -0.04 0.00 0.26 0.00 0.00 34.13 32.79 1imu s GLU 51 CO -0.01 -0.15 -0.01 0.00 -0.54 0.00 0.00 175.26 174.55 1imu s ALA 52 N 1.27 3.17 -0.26 6.30 0.00 0.95 0.14 121.76 133.34 1imu s ALA 52 Ca -0.04 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.53 1imu s ALA 52 Cb -0.14 -0.96 0.13 0.00 0.00 0.00 0.00 23.12 22.15 1imu s ALA 52 CO -0.03 0.48 0.32 -1.12 0.00 0.00 0.00 175.76 175.40 1imu s SER 53 N -2.94 1.10 0.43 0.00 0.01 -1.15 0.09 113.70 111.24 1imu s SER 53 Ca 0.27 -0.38 0.06 0.00 1.31 0.00 0.00 55.95 57.21 1imu s SER 53 Cb -0.09 0.71 -0.06 0.00 0.21 0.00 0.00 66.02 66.79 1imu s SER 53 CO 0.18 -0.35 0.05 -0.63 0.41 0.00 0.00 173.24 172.90 1imu s ILE 54 N 2.42 1.87 0.08 1.44 1.01 0.38 -1.09 121.20 127.31 1imu s ILE 54 Ca 0.10 -1.94 0.07 0.00 0.00 0.00 0.00 60.65 58.89 1imu s ILE 54 Cb -0.14 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 1imu s ILE 54 CO -0.25 0.00 -0.20 -0.83 0.00 0.00 0.00 174.94 173.67 1imu s GLY 55 N -3.79 1.15 -0.08 6.18 0.00 -1.17 0.15 107.32 109.76 1imu s GLY 55 Ca 0.30 -1.16 -0.06 0.00 0.00 0.00 0.00 44.72 43.80 1imu s GLY 55 CO 0.16 -1.15 0.20 -0.51 0.00 0.00 0.00 173.10 171.79 1imu s THR 56 N -1.09 -0.01 0.24 0.90 -4.23 -1.20 0.12 115.64 110.37 1imu s THR 56 Ca 0.05 0.04 0.21 0.00 -1.18 0.00 0.00 61.69 60.81 1imu s THR 56 Cb -0.10 -0.29 0.21 0.00 1.34 0.00 0.00 72.50 73.66 1imu s THR 56 CO 0.03 0.02 1.58 -0.65 -0.54 0.00 0.00 174.62 175.06 1imu h PRO 57 N 6.18 0.00 0.00 3.99 0.11 -1.99 0.63 132.00 140.93 1imu h PRO 57 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 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 0.39 0.00 -1.61 1.28 -0.21 0.00 0.00 178.00 177.84 1imu n LEU 58 N -2.39 0.32 0.00 2.35 7.99 -1.26 -5.01 117.00 118.99 1imu n LEU 58 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 1imu n LEU 58 Cb 0.31 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.60 1imu n LEU 58 CO 0.09 -0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.58 1imu n GLY 59 N 1.28 3.36 3.70 -0.72 0.00 0.22 -4.80 105.19 108.23 1imu n GLY 59 Ca -0.02 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1imu n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1imu n ASN 60 N 0.00 2.37 -4.56 1.61 4.13 -1.25 -3.26 115.26 114.30 1imu n ASN 60 Ca 0.00 1.04 -0.34 0.00 1.68 0.00 0.00 54.58 56.96 1imu n ASN 60 Cb 0.00 -1.51 -0.12 0.00 -1.54 0.00 0.00 39.78 36.62 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 -2.16 3.19 0.02 3.41 1.43 0.40 -4.86 118.68 120.12 1imu s LEU 61 Ca 0.65 -0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.67 1imu s LEU 61 Cb -0.47 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 1imu s LEU 61 CO 0.55 0.30 0.04 -0.76 0.23 0.00 0.00 176.35 176.71 1imu s LEU 62 N -0.46 2.01 0.13 1.79 2.01 -1.26 0.14 118.68 123.04 1imu s LEU 62 Ca 0.07 -0.48 -0.23 0.00 0.01 0.00 0.00 54.13 53.50 1imu s LEU 62 Cb -0.12 0.35 0.06 0.00 0.01 0.00 0.00 46.19 46.49 1imu s LEU 62 CO 0.02 -0.39 0.58 0.00 1.01 0.00 0.00 176.35 177.57 1imu s ALA 63 N -1.90 -1.51 -0.29 4.21 0.00 0.11 -4.59 121.76 117.80 1imu s ALA 63 Ca -0.11 0.51 -0.18 0.00 0.00 0.00 0.00 51.96 52.17 1imu s ALA 63 Cb -0.06 0.74 0.13 0.00 0.00 0.00 0.00 23.12 23.93 1imu s ALA 63 CO -0.02 -0.70 0.94 -1.54 0.00 0.00 0.00 175.76 174.44 1imu s SER 64 N -2.55 -0.56 -0.06 0.00 1.04 -1.25 -0.03 113.70 110.29 1imu s SER 64 Ca -0.00 0.93 -0.23 0.00 0.48 0.00 0.00 55.95 57.13 1imu s SER 64 Cb -0.01 1.18 0.05 0.00 0.10 0.00 0.00 66.02 67.34 1imu s SER 64 CO -0.10 -0.15 0.52 0.00 0.98 0.00 0.00 173.24 174.49 1imu s ALA 65 N 1.18 -1.33 -0.24 5.32 0.00 0.75 -4.93 121.76 122.51 1imu s ALA 65 Ca -0.07 0.96 0.01 0.00 0.00 0.00 0.00 51.96 52.86 1imu s ALA 65 Cb -0.04 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.05 1imu s ALA 65 CO -0.14 -0.31 -0.05 0.99 0.00 0.00 0.00 175.76 176.24 1imu s THR 66 N -1.05 1.58 0.17 0.00 2.01 -1.25 -0.02 115.64 117.08 1imu s THR 66 Ca -0.11 -1.27 0.01 0.00 0.31 0.00 0.00 61.69 60.63 1imu s THR 66 Cb -0.03 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 1imu s THR 66 CO 0.07 -0.11 0.03 -0.44 -0.69 0.00 0.00 174.62 173.47 1imu s SER 67 N 1.37 0.96 -0.07 3.53 0.01 0.11 -4.85 113.70 114.75 1imu s SER 67 Ca -0.06 -1.21 0.02 0.00 1.31 0.00 0.00 55.95 56.01 1imu s SER 67 Cb -0.19 0.17 0.14 0.00 0.21 0.00 0.00 66.02 66.36 1imu s SER 67 CO -0.06 -0.63 1.00 -0.90 0.41 0.00 0.00 173.24 173.06 1imu n ASP 68 N -0.23 2.66 -3.45 2.44 5.75 -1.26 0.20 116.55 122.66 1imu n ASP 68 Ca -0.05 -2.26 -0.17 0.00 -0.01 0.00 0.00 54.79 52.29 1imu n ASP 68 Cb 0.64 -0.55 -0.11 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.26 1.41 0.00 -1.12 1.01 -1.26 -4.90 116.67 112.07 1imu s ASP 69 Ca 0.11 -0.37 0.00 0.00 0.71 0.00 0.00 52.55 53.00 1imu s ASP 69 Cb 0.09 0.49 0.00 0.00 1.01 0.00 0.00 42.92 44.51 1imu s ASP 69 CO 0.03 -0.35 0.87 0.80 0.21 0.00 0.00 175.17 176.72 1imu n MET 70 N 5.32 0.00 0.29 8.23 0.00 -1.26 0.18 117.12 129.88 1imu n MET 70 Ca -0.04 0.87 0.18 0.00 -0.00 0.00 0.00 57.70 58.70 1imu n MET 70 Cb 0.48 -1.33 0.79 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 0.02 1.12 -1.99 -1.97 -0.14 116.97 114.01 1imu h TYR 71 Ca 0.00 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.48 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 -0.75 0.03 -1.01 -0.22 -0.00 0.00 0.00 178.16 176.20 1imu h LYS 72 N 0.00 0.50 -0.24 4.88 3.64 -1.45 1.44 116.57 125.34 1imu h LYS 72 Ca -0.00 -0.56 -0.01 0.00 -1.27 0.00 0.00 60.65 58.80 1imu h LYS 72 Cb 0.40 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1imu h LYS 72 CO 0.00 1.20 0.10 0.00 -2.27 0.00 0.00 179.45 178.48 1imu h ALA 73 N 0.60 0.31 -0.60 5.00 0.00 0.28 1.46 119.26 126.31 1imu h ALA 73 Ca -0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1imu h ALA 73 Cb 1.66 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1imu h ALA 73 CO 0.18 -0.09 0.22 0.82 0.00 0.00 0.00 179.25 180.38 1imu h ILE 74 N 0.24 1.22 -0.91 0.00 2.04 -0.98 0.33 117.51 119.44 1imu h ILE 74 Ca 0.08 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.28 1imu h ILE 74 Cb 0.18 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 1imu h ILE 74 CO -0.01 0.28 0.59 -1.13 0.00 0.00 0.00 178.15 177.89 1imu h ASN 75 N 0.87 0.94 0.23 1.72 -0.73 0.38 0.20 115.58 119.20 1imu h ASN 75 Ca 0.20 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.36 1imu h ASN 75 Cb 0.20 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1imu h ASN 75 CO -0.01 0.62 -0.11 -0.08 -0.37 0.00 0.00 177.43 177.47 1imu h GLU 76 N 1.08 -0.30 -0.55 6.67 4.81 0.39 -2.68 114.58 124.00 1imu h GLU 76 Ca 0.38 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.74 1imu h GLU 76 Cb 0.13 0.07 -0.11 0.00 0.63 0.00 0.00 28.75 29.47 1imu h GLU 76 CO -0.13 0.04 -0.20 0.28 -0.73 0.00 0.00 179.01 178.27 1imu h VAL 77 N -0.94 0.35 -0.54 0.32 2.07 -0.16 0.61 116.25 117.96 1imu h VAL 77 Ca -0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.57 1imu h VAL 77 Cb 0.48 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1imu h VAL 77 CO 0.05 0.00 0.36 -0.08 0.02 0.00 0.00 177.57 177.93 1imu h GLU 78 N -0.07 0.41 -0.35 1.57 4.57 -0.70 0.73 114.58 120.74 1imu h GLU 78 Ca 0.26 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.27 1imu h GLU 78 Cb 0.46 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1imu h GLU 78 CO -0.60 0.27 -0.35 0.93 -1.18 0.00 0.00 179.01 178.08 1imu h GLU 79 N 0.42 0.85 -0.29 1.92 4.39 0.43 0.36 114.58 122.66 1imu h GLU 79 Ca 0.24 -0.45 -0.12 0.00 0.34 0.00 0.00 59.36 59.37 1imu h GLU 79 Cb 0.41 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1imu h GLU 79 CO -0.06 1.09 -0.30 -0.22 -1.16 0.00 0.00 179.01 178.35 1imu h LYS 80 N 0.64 0.71 -0.26 2.33 1.63 0.11 0.35 116.57 122.09 1imu h LYS 80 Ca 0.05 -0.38 -0.03 0.00 -0.85 0.00 0.00 60.65 59.44 1imu h LYS 80 Cb 0.94 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.57 1imu h LYS 80 CO 0.09 1.00 0.06 -0.07 -3.45 0.00 0.00 179.45 177.08 1imu h LEU 81 N 0.46 0.40 0.38 5.20 -0.00 0.44 0.31 115.31 122.50 1imu h LEU 81 Ca 0.04 -0.24 -0.02 0.00 -0.00 0.00 0.00 57.88 57.67 1imu h LEU 81 Cb 0.88 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.44 1imu h LEU 81 CO 0.07 0.53 -0.18 -0.08 -0.00 0.00 0.00 178.44 178.79 1imu h GLU 82 N 0.24 -0.49 -0.72 1.13 4.22 -0.25 0.23 114.58 118.94 1imu h GLU 82 Ca 0.08 0.03 0.15 0.00 0.08 0.00 0.00 59.36 59.70 1imu h GLU 82 Cb 0.29 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.55 1imu h GLU 82 CO 0.00 -0.18 0.19 -0.09 -2.18 0.00 0.00 179.01 176.75 1imu h ARG 83 N -0.83 0.29 -0.53 1.92 2.43 -0.30 0.76 114.38 118.12 1imu h ARG 83 Ca -0.05 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1imu h ARG 83 Cb 0.53 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1imu h ARG 83 CO 0.09 0.19 0.14 1.96 -1.51 0.00 0.00 179.97 180.84 1imu h GLN 84 N 0.29 0.80 0.14 0.20 4.20 -0.27 0.19 115.11 120.67 1imu h GLN 84 Ca 0.40 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1imu h GLN 84 Cb 0.67 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1imu h GLN 84 CO -0.48 0.71 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.21 1imu h LEU 85 N 0.78 -0.29 -1.36 1.46 3.38 0.38 0.75 115.31 120.40 1imu h LEU 85 Ca 0.17 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1imu h LEU 85 Cb 0.27 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1imu h LEU 85 CO -0.00 -0.18 0.25 -1.13 0.09 0.00 0.00 178.44 177.47 1imu h ASN 86 N -0.26 0.61 0.42 -0.43 -0.73 -0.14 0.73 115.58 115.78 1imu h ASN 86 Ca -0.00 -0.05 -0.02 0.00 1.87 0.00 0.00 56.30 58.10 1imu h ASN 86 Cb 0.24 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.68 1imu h ASN 86 CO -0.01 0.51 -0.20 0.11 -0.37 0.00 0.00 177.43 177.47 1imu h LYS 87 N 0.69 -0.54 -0.13 6.67 1.57 0.44 0.35 116.57 125.61 1imu h LYS 87 Ca 0.17 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1imu h LYS 87 Cb 0.05 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1imu h LYS 87 CO -0.03 -0.24 0.01 1.37 -0.57 0.00 0.00 179.45 179.99 1imu h LEU 88 N -0.85 -0.04 -1.93 2.94 8.10 0.69 1.51 115.31 125.73 1imu h LEU 88 Ca -0.06 0.03 0.02 0.00 0.11 0.00 0.00 57.88 57.97 1imu h LEU 88 Cb 0.55 0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.81 1imu h LEU 88 CO 0.09 0.00 0.09 1.56 -4.11 0.00 0.00 178.44 176.07 1imu h GLN 89 N 0.05 0.10 0.05 0.17 4.20 -0.88 -0.90 115.11 117.91 1imu h GLN 89 Ca 0.06 -0.01 -0.24 0.00 0.06 0.00 0.00 58.65 58.52 1imu h GLN 89 Cb 0.07 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1imu h GLN 89 CO -0.10 0.06 -1.11 0.45 -0.67 0.00 0.00 178.83 177.46 1imu h HIS 90 N 0.10 0.21 -0.96 2.96 3.86 0.17 -3.47 115.15 118.02 1imu h HIS 90 Ca 0.05 -0.15 -0.82 0.00 -1.16 0.00 0.00 60.37 58.29 1imu h HIS 90 Cb 0.09 -0.01 0.02 0.00 1.06 0.00 0.00 27.41 28.57 1imu h HIS 90 CO -0.00 1.12 0.53 1.17 0.86 0.00 0.00 177.93 181.61 1imu n LYS 91 N -3.42 0.00 -1.15 2.45 4.81 0.50 -4.94 118.16 116.41 1imu n LYS 91 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1imu n LYS 91 Cb 0.98 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 34.59 1imu n LYS 91 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1imu n SER 92 N 3.31 1.25 -1.61 3.14 2.88 -1.26 -4.82 113.62 116.51 1imu n SER 92 Ca 0.27 -0.58 -0.21 0.00 -1.33 0.00 0.00 58.87 57.03 1imu n SER 92 Cb -0.03 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.34 1imu n SER 92 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1imu n GLU 93 N 0.00 -1.45 -0.02 -1.46 1.02 -1.26 -4.77 120.64 112.71 1imu n GLU 93 Ca 0.00 1.23 -0.02 0.00 -0.02 0.00 0.00 57.16 58.35 1imu n GLU 93 Cb 0.00 -5.61 -0.02 0.00 -0.02 0.00 0.00 31.44 25.78 1imu n GLU 93 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1imu n SER 94 N -1.37 4.05 -4.68 1.62 2.88 -1.26 -4.92 113.62 109.94 1imu n SER 94 Ca -0.21 -0.01 -0.39 0.00 -1.33 0.00 0.00 58.87 56.94 1imu n SER 94 Cb 0.68 0.37 -0.07 0.00 -0.75 0.00 0.00 64.21 64.44 1imu n SER 94 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1imu s ARG 95 N -2.08 4.23 -0.43 -1.46 0.52 -1.26 -4.54 118.95 113.94 1imu s ARG 95 Ca -0.03 0.41 -0.14 0.00 -0.52 0.00 0.00 55.73 55.45 1imu s ARG 95 Cb 0.01 -3.53 0.02 0.00 0.52 0.00 0.00 34.95 31.97 1imu s ARG 95 CO 0.12 -0.06 0.57 -2.13 0.02 0.00 0.00 175.30 173.82 1imu n ARG 96 N 4.48 -2.19 -3.90 3.54 0.00 -1.26 -5.00 116.66 112.33 1imu n ARG 96 Ca -0.06 2.00 -0.35 0.00 -0.00 0.00 0.00 57.85 59.44 1imu n ARG 96 Cb 0.51 -5.46 -0.11 0.00 0.00 0.00 0.00 32.46 27.40 1imu n ARG 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1imu s ALA 97 N -2.55 3.36 -0.37 5.13 0.00 -1.26 -5.04 121.76 121.02 1imu s ALA 97 Ca 0.22 -0.88 -0.17 0.00 0.00 0.00 0.00 51.96 51.13 1imu s ALA 97 Cb -0.06 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 21.04 1imu s ALA 97 CO 0.73 -0.06 0.45 0.16 0.00 0.00 0.00 175.76 177.03 1imu s ASP 98 N 0.83 6.23 0.40 0.00 -4.77 -1.26 -5.07 116.67 113.04 1imu s ASP 98 Ca 0.04 -0.32 -0.04 0.00 -3.30 0.00 0.00 52.55 48.93 1imu s ASP 98 Cb -0.13 -2.23 -0.04 0.00 -1.09 0.00 0.00 42.92 39.42 1imu s ASP 98 CO 0.02 -0.48 0.68 -0.70 0.70 0.00 0.00 175.17 175.39 1imu s GLU 99 N 2.21 3.56 0.00 2.11 2.56 -1.26 -4.96 118.70 122.91 1imu s GLU 99 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 54.97 55.14 1imu s GLU 99 Cb -0.16 -2.51 0.00 0.00 2.00 0.00 0.00 34.13 33.46 1imu s GLU 99 CO 0.13 -0.02 0.00 -2.13 -0.56 0.00 0.00 175.26 172.68 1imu n ARG 100 N -1.84 0.00 -1.94 4.30 0.63 -1.26 -5.05 116.66 111.50 1imu n ARG 100 Ca -0.01 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.64 1imu n ARG 100 Cb 0.55 -0.01 -0.05 0.00 0.45 0.00 0.00 32.46 33.40 1imu n ARG 100 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1imu s LEU 101 N -4.36 3.15 -0.18 6.15 2.96 -1.26 -4.68 118.68 120.47 1imu s LEU 101 Ca 0.00 -0.26 -0.13 0.00 -0.22 0.00 0.00 54.13 53.52 1imu s LEU 101 Cb 0.00 -2.55 -0.07 0.00 0.50 0.00 0.00 46.19 44.07 1imu s LEU 101 CO 0.00 -2.88 -0.29 1.17 -1.32 0.00 0.00 176.35 173.03 1imu n LYS 102 N 8.92 0.46 -3.55 1.98 4.81 -1.26 -5.10 118.16 124.43 1imu n LYS 102 Ca 0.37 0.19 -0.07 0.00 -0.87 0.00 0.00 58.31 57.94 1imu n LYS 102 Cb 0.48 -1.29 -0.02 0.00 0.02 0.00 0.00 35.03 34.21 1imu n LYS 102 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1imu s ASP 103 N -6.43 -0.27 -1.55 3.14 1.47 -1.26 -4.97 116.67 106.79 1imu s ASP 103 Ca -0.28 0.03 -0.05 0.00 1.18 0.00 0.00 52.55 53.43 1imu s ASP 103 Cb 0.07 0.28 0.01 0.00 -0.34 0.00 0.00 42.92 42.94 1imu s ASP 103 CO 0.38 -0.44 0.52 -1.54 0.68 0.00 0.00 175.17 174.77 1imu n SER 104 N -0.11 -5.83 -0.00 2.11 3.41 -1.26 -4.90 113.62 107.04 1imu n SER 104 Ca -0.05 -0.26 -0.20 0.00 -0.26 0.00 0.00 58.87 58.10 1imu n SER 104 Cb 0.60 -4.74 -0.14 0.00 -0.26 0.00 0.00 64.21 59.68 1imu n SER 104 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1imu h PHE 105 N -1.18 0.36 -3.33 7.33 3.57 -1.98 -3.50 116.94 118.20 1imu h PHE 105 Ca -0.51 -0.26 0.37 0.00 3.53 0.00 0.00 57.97 61.10 1imu h PHE 105 Cb 1.36 -0.01 -0.14 0.00 2.79 0.00 0.00 35.95 39.94 1imu h PHE 105 CO 0.55 1.37 -0.84 0.39 -2.23 0.00 0.00 178.31 177.55 1imu n GLU 106 N -4.16 -3.09 0.00 1.11 -0.58 -1.26 -5.18 120.64 107.48 1imu n GLU 106 Ca -0.19 2.27 0.00 0.00 -0.42 0.00 0.00 57.16 58.81 1imu n GLU 106 Cb 0.78 -3.69 0.00 0.00 -0.57 0.00 0.00 31.44 27.96 1imu n GLU 106 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74