#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1imu s THR 2 N 0.00 5.12 -0.05 2.03 -4.23 -1.26 -4.98 115.64 112.27 1imu s THR 2 Ca 0.00 0.58 -0.29 0.00 -1.18 0.00 0.00 61.69 60.80 1imu s THR 2 Cb 0.00 -3.79 -0.07 0.00 1.34 0.00 0.00 72.50 69.98 1imu s THR 2 CO 0.00 0.06 1.99 -0.22 -0.54 0.00 0.00 174.62 175.91 1imu s LEU 3 N 2.19 4.14 0.37 4.79 0.20 -1.26 -4.62 118.68 124.49 1imu s LEU 3 Ca 0.17 2.38 0.01 0.00 0.69 0.00 0.00 54.13 57.38 1imu s LEU 3 Cb -0.16 -3.53 -0.02 0.00 -0.43 0.00 0.00 46.19 42.05 1imu s LEU 3 CO 0.10 -1.29 0.57 0.20 -0.29 0.00 0.00 176.35 175.64 1imu s ASN 4 N 5.33 6.16 0.41 3.68 -0.87 0.95 -4.84 114.94 125.77 1imu s ASN 4 Ca 0.89 0.36 0.06 0.00 -1.57 0.00 0.00 52.86 52.61 1imu s ASN 4 Cb -0.38 -1.86 -0.07 0.00 -0.02 0.00 0.00 41.25 38.92 1imu s ASN 4 CO 0.38 -0.39 0.02 0.27 -2.57 0.00 0.00 177.10 174.81 1imu s ILE 5 N -2.36 1.78 -0.24 0.60 -0.00 -1.26 -0.31 121.20 119.41 1imu s ILE 5 Ca 0.42 -2.00 0.09 0.00 -0.00 0.00 0.00 60.65 59.16 1imu s ILE 5 Cb -0.10 -2.88 0.29 0.00 -0.00 0.00 0.00 42.46 39.77 1imu s ILE 5 CO 0.36 0.00 1.30 0.41 -0.00 0.00 0.00 174.94 177.01 1imu n THR 6 N -0.95 0.00 -1.67 8.37 -1.04 -0.91 -4.78 114.28 113.29 1imu n THR 6 Ca -0.06 -0.70 -0.52 0.00 -2.04 0.00 0.00 64.05 60.74 1imu n THR 6 Cb 0.67 0.84 -0.06 0.00 -1.82 0.00 0.00 70.33 69.96 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 -1.09 2.70 -0.05 8.00 7.64 -1.26 -4.59 113.62 124.98 1imu n SER 7 Ca -0.17 1.05 -0.14 0.00 1.01 0.00 0.00 58.87 60.62 1imu n SER 7 Cb 0.79 -1.27 -0.07 0.00 -1.01 0.00 0.00 64.21 62.65 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 7.12 0.50 0.00 1.43 2.10 -1.93 -3.44 116.57 122.35 1imu h LYS 8 Ca -0.47 -0.32 0.00 0.00 -2.00 0.00 0.00 60.65 57.86 1imu h LYS 8 Cb 1.30 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 1imu h LYS 8 CO 0.91 0.93 -0.03 0.00 -2.00 0.00 0.00 179.45 179.26 1imu n GLN 9 N -4.36 0.02 -2.46 0.07 10.64 -1.26 -4.96 117.38 115.07 1imu n GLN 9 Ca -0.06 0.01 -0.43 0.00 -1.83 0.00 0.00 57.00 54.68 1imu n GLN 9 Cb 0.49 -0.34 -0.02 0.00 -0.86 0.00 0.00 30.24 29.51 1imu n GLN 9 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1imu s MET 10 N -1.07 4.04 0.87 2.61 0.23 -1.26 -5.01 119.30 119.70 1imu s MET 10 Ca -0.01 1.35 -0.14 0.00 -1.03 0.00 0.00 55.69 55.86 1imu s MET 10 Cb 0.00 -3.82 0.22 0.00 -1.53 0.00 0.00 34.83 29.71 1imu s MET 10 CO 0.01 -0.95 0.50 -0.40 -2.03 0.00 0.00 175.02 172.16 1imu n ASP 11 N 7.17 -3.26 -4.78 -1.18 5.68 -1.26 -4.69 116.55 114.23 1imu n ASP 11 Ca 0.14 -0.51 -0.30 0.00 -0.50 0.00 0.00 54.79 53.62 1imu n ASP 11 Cb 0.46 -0.59 -0.06 0.00 -1.14 0.00 0.00 41.12 39.79 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 -1.64 4.57 0.23 2.12 -0.00 -1.26 -5.00 121.20 120.22 1imu s ILE 12 Ca 0.39 -0.75 -0.02 0.00 -0.00 0.00 0.00 60.65 60.27 1imu s ILE 12 Cb -0.07 -3.20 -0.03 0.00 -0.00 0.00 0.00 42.46 39.16 1imu s ILE 12 CO 0.33 0.12 0.22 0.42 -0.00 0.00 0.00 174.94 176.03 1imu s THR 13 N -1.40 0.00 0.32 8.37 -4.23 -1.26 -4.96 115.64 112.48 1imu s THR 13 Ca 0.30 -1.90 0.09 0.00 -1.18 0.00 0.00 61.69 58.99 1imu s THR 13 Cb -0.12 -2.47 0.35 0.00 1.34 0.00 0.00 72.50 71.60 1imu s THR 13 CO 0.22 0.00 1.61 -0.65 -0.54 0.00 0.00 174.62 175.26 1imu h PRO 14 N 2.48 0.12 0.00 3.99 0.11 -2.00 0.22 132.00 136.92 1imu h PRO 14 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1imu h PRO 14 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1imu h PRO 14 CO 0.47 0.08 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 1imu n ALA 15 N -2.65 0.00 -0.01 -0.75 0.00 -1.26 -0.04 120.51 115.80 1imu n ALA 15 Ca 0.28 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.59 1imu n ALA 15 Cb 0.90 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 20.34 1imu n ALA 15 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1imu h ILE 16 N 0.00 0.15 -0.97 0.00 -2.65 -1.95 0.37 117.51 112.45 1imu h ILE 16 Ca 0.00 0.00 0.12 0.00 1.03 0.00 0.00 64.86 66.01 1imu h ILE 16 Cb 0.00 0.15 -0.14 0.00 -2.05 0.00 0.00 36.82 34.78 1imu h ILE 16 CO 0.00 0.00 -0.48 -1.14 0.03 0.00 0.00 178.15 176.56 1imu n ARG 17 N -5.43 -0.34 -0.36 0.16 0.63 0.76 0.16 116.66 112.24 1imu n ARG 17 Ca -0.04 1.48 -0.03 0.00 -0.92 0.00 0.00 57.85 58.35 1imu n ARG 17 Cb 0.36 -2.19 0.10 0.00 0.45 0.00 0.00 32.46 31.18 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 1.30 0.28 -0.14 4.22 0.36 0.19 114.58 120.79 1imu h GLU 18 Ca 0.24 -0.11 -0.01 0.00 0.08 0.00 0.00 59.36 59.56 1imu h GLU 18 Cb 0.48 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1imu h GLU 18 CO -0.94 0.89 -0.13 1.25 -2.18 0.00 0.00 179.01 177.90 1imu h HIS 19 N 1.32 -0.35 -0.64 0.92 2.76 0.53 0.62 115.15 120.33 1imu h HIS 19 Ca 0.35 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.63 1imu h HIS 19 Cb -0.08 0.11 -0.12 0.00 1.55 0.00 0.00 27.41 28.87 1imu h HIS 19 CO 0.00 -0.22 -0.29 -0.07 -1.30 0.00 0.00 177.93 176.06 1imu h LEU 20 N -0.40 -1.02 0.37 0.26 3.38 0.16 1.04 115.31 119.11 1imu h LEU 20 Ca -0.04 0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1imu h LEU 20 Cb 0.29 0.54 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1imu h LEU 20 CO 0.06 -0.28 -0.43 -0.33 0.09 0.00 0.00 178.44 177.55 1imu h GLU 21 N -0.11 -0.80 -0.85 1.13 5.08 -0.59 0.13 114.58 118.57 1imu h GLU 21 Ca 0.27 0.05 0.18 0.00 -1.00 0.00 0.00 59.36 58.87 1imu h GLU 21 Cb 0.54 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 1imu h GLU 21 CO -0.70 -0.54 0.56 1.49 -1.00 0.00 0.00 179.01 178.82 1imu h GLU 22 N -0.83 0.39 -0.14 2.33 4.81 0.17 0.27 114.58 121.58 1imu h GLU 22 Ca -0.03 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1imu h GLU 22 Cb 0.76 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1imu h GLU 22 CO -0.10 0.26 0.05 -0.09 -0.73 0.00 0.00 179.01 178.40 1imu h ARG 23 N 0.40 0.20 0.20 1.92 9.65 0.26 0.37 114.38 127.39 1imu h ARG 23 Ca 0.43 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.26 1imu h ARG 23 Cb 1.06 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 1imu h ARG 23 CO -0.15 0.30 -0.09 1.25 2.80 0.00 0.00 179.97 184.07 1imu h LEU 24 N 0.06 -0.22 -1.84 3.80 5.85 0.16 0.35 115.31 123.47 1imu h LEU 24 Ca 0.05 -0.08 0.13 0.00 0.84 0.00 0.00 57.88 58.82 1imu h LEU 24 Cb 0.17 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1imu h LEU 24 CO -0.00 -0.06 0.38 0.00 -0.34 0.00 0.00 178.44 178.42 1imu h ALA 25 N 0.41 2.29 -0.01 1.25 0.00 -0.48 0.22 119.26 122.95 1imu h ALA 25 Ca -0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 1imu h ALA 25 Cb 0.29 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1imu h ALA 25 CO 0.04 -0.44 -0.96 0.87 0.00 0.00 0.00 179.25 178.76 1imu h LYS 26 N 0.16 0.52 0.00 0.00 1.79 0.52 -3.00 116.57 116.57 1imu h LYS 26 Ca 0.26 -0.55 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1imu h LYS 26 Cb 0.82 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1imu h LYS 26 CO -0.04 1.18 0.00 1.28 -1.08 0.00 0.00 179.45 180.79 1imu n LEU 27 N -3.79 0.00 -0.18 2.94 4.77 0.12 -3.34 117.00 117.51 1imu n LEU 27 Ca -0.08 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1imu n LEU 27 Cb 0.84 -0.49 0.25 0.00 -2.33 0.00 0.00 43.42 41.69 1imu n LEU 27 CO 0.53 -0.09 1.18 1.23 -1.33 0.00 0.00 177.39 178.90 1imu h GLY 28 N 4.04 0.98 1.80 -0.72 0.00 -0.57 -1.39 103.07 107.22 1imu h GLY 28 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.93 1imu h GLY 28 CO 0.00 0.39 0.09 1.70 0.00 0.00 0.00 176.54 178.72 1imu h LYS 29 N 0.94 0.00 -6.37 4.80 3.64 -1.73 -3.40 116.57 114.45 1imu h LYS 29 Ca 0.24 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 59.08 1imu h LYS 29 Cb -0.03 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 1imu h LYS 29 CO -0.04 0.00 1.14 -1.58 -2.27 0.00 0.00 179.45 176.70 1imu s TRP 30 N -4.30 2.18 0.00 1.91 0.52 -0.52 -4.81 118.94 113.92 1imu s TRP 30 Ca -0.05 0.57 0.00 0.00 0.02 0.00 0.00 56.10 56.64 1imu s TRP 30 Cb 0.13 -4.31 0.00 0.00 -1.15 0.00 0.00 33.47 28.14 1imu s TRP 30 CO 0.43 -2.13 0.44 0.00 0.02 0.00 0.00 176.95 175.72 1imu n GLN 31 N 8.57 0.00 -3.71 4.98 0.00 -1.26 -4.62 117.38 121.34 1imu n GLN 31 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 57.00 57.06 1imu n GLN 31 Cb 0.49 -0.80 -0.03 0.00 0.00 0.00 0.00 30.24 29.90 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 2.13 0.02 -0.39 -0.39 2.01 -1.26 -4.99 115.64 112.77 1imu s THR 32 Ca 0.00 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.32 1imu s THR 32 Cb 0.00 -1.56 0.12 0.00 0.01 0.00 0.00 72.50 71.06 1imu s THR 32 CO 0.00 -0.08 0.15 0.00 -0.69 0.00 0.00 174.62 174.01 1imu s GLN 33 N -3.86 1.28 -0.85 4.92 0.00 -1.26 -4.97 119.66 114.92 1imu s GLN 33 Ca 0.08 -1.80 -0.20 0.00 -0.00 0.00 0.00 55.36 53.44 1imu s GLN 33 Cb -0.02 -2.62 -0.20 0.00 0.00 0.00 0.00 33.01 30.17 1imu s GLN 33 CO -0.03 -1.04 2.28 1.28 0.00 0.00 0.00 175.29 177.77 1imu n LEU 34 N 4.03 0.70 -4.56 2.60 7.99 -1.25 -4.45 117.00 122.06 1imu n LEU 34 Ca 0.04 -1.29 -0.18 0.00 -0.01 0.00 0.00 56.01 54.57 1imu n LEU 34 Cb 0.38 -1.31 -0.06 0.00 -0.11 0.00 0.00 43.42 42.32 1imu n LEU 34 CO 0.22 -2.33 1.33 -0.63 -1.51 0.00 0.00 177.39 174.46 1imu s ILE 35 N 10.29 3.07 -0.20 -0.08 1.01 0.47 -3.87 121.20 131.88 1imu s ILE 35 Ca 1.01 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 61.58 1imu s ILE 35 Cb -0.33 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 38.98 1imu s ILE 35 CO 0.23 -0.16 0.05 -0.24 0.00 0.00 0.00 174.94 174.82 1imu n SER 36 N 17.68 -6.19 -4.77 3.58 2.88 -1.26 -2.69 113.62 122.85 1imu n SER 36 Ca 0.44 1.19 -0.37 0.00 -1.33 0.00 0.00 58.87 58.81 1imu n SER 36 Cb 0.45 -4.35 -0.06 0.00 -0.75 0.00 0.00 64.21 59.49 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 -1.21 4.10 0.36 -1.46 0.04 -1.25 -3.78 135.00 131.80 1imu s PRO 37 Ca -0.06 0.21 0.05 0.00 0.04 0.00 0.00 61.00 61.23 1imu s PRO 37 Cb 0.00 -3.35 -0.06 0.00 0.04 0.00 0.00 34.50 31.13 1imu s PRO 37 CO 0.59 0.40 0.05 -1.01 0.04 0.00 0.00 177.00 177.06 1imu s HIS 38 N -0.06 2.11 -0.27 0.56 3.76 0.26 -0.03 115.29 121.61 1imu s HIS 38 Ca 0.20 -0.90 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 1imu s HIS 38 Cb -0.14 -1.43 0.15 0.00 1.11 0.00 0.00 32.58 32.27 1imu s HIS 38 CO 0.07 0.12 0.41 -0.06 -0.85 0.00 0.00 174.74 174.44 1imu s PHE 39 N -3.11 -0.99 -0.90 1.40 0.40 0.57 -1.84 117.98 113.51 1imu s PHE 39 Ca 0.34 0.63 -0.20 0.00 -0.60 0.00 0.00 56.93 57.10 1imu s PHE 39 Cb 0.08 -0.03 0.12 0.00 0.51 0.00 0.00 43.02 43.70 1imu s PHE 39 CO 0.16 -0.88 1.13 0.08 0.70 0.00 0.00 175.22 176.40 1imu s VAL 40 N 2.57 4.62 0.00 -0.44 1.01 0.43 -2.14 120.40 126.45 1imu s VAL 40 Ca 0.12 -1.36 -0.17 0.00 0.00 0.00 0.00 61.98 60.57 1imu s VAL 40 Cb -0.14 -4.78 -0.06 0.00 0.00 0.00 0.00 36.38 31.40 1imu s VAL 40 CO -0.24 -1.53 0.46 -0.22 0.00 0.00 0.00 175.10 173.58 1imu s LEU 41 N 3.02 4.46 0.17 3.92 2.96 -1.26 -0.04 118.68 131.91 1imu s LEU 41 Ca 0.32 1.03 -0.13 0.00 -0.22 0.00 0.00 54.13 55.13 1imu s LEU 41 Cb -0.06 -2.69 0.01 0.00 0.50 0.00 0.00 46.19 43.95 1imu s LEU 41 CO -0.07 0.26 0.37 0.20 -1.32 0.00 0.00 176.35 175.79 1imu s ASN 42 N -0.82 -0.08 0.29 3.68 0.01 0.17 -3.33 114.94 114.86 1imu s ASN 42 Ca 0.26 -0.67 0.04 0.00 -0.71 0.00 0.00 52.86 51.77 1imu s ASN 42 Cb -0.17 0.48 -0.06 0.00 0.41 0.00 0.00 41.25 41.91 1imu s ASN 42 CO 0.14 -0.94 0.04 -0.75 -1.51 0.00 0.00 177.10 174.09 1imu s LYS 43 N -3.91 1.54 0.08 -0.60 2.20 -1.25 -0.44 119.74 117.35 1imu s LYS 43 Ca 0.12 -1.83 -0.26 0.00 -0.36 0.00 0.00 55.97 53.64 1imu s LYS 43 Cb 0.02 -0.76 0.07 0.00 -1.51 0.00 0.00 37.83 35.66 1imu s LYS 43 CO -0.03 -0.16 0.66 0.14 -0.36 0.00 0.00 175.35 175.60 1imu s VAL 44 N -3.36 0.00 0.27 4.02 -7.23 0.24 -4.62 120.40 109.72 1imu s VAL 44 Ca 0.34 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.52 1imu s VAL 44 Cb 0.08 -1.00 0.26 0.00 0.56 0.00 0.00 36.38 36.28 1imu s VAL 44 CO 0.13 0.00 1.72 -0.65 -0.31 0.00 0.00 175.10 176.00 1imu h PRO 45 N 2.30 0.46 -0.01 4.82 0.11 -2.02 0.32 132.00 137.99 1imu h PRO 45 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1imu h PRO 45 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1imu h PRO 45 CO 0.38 0.31 0.00 -1.71 -0.21 0.00 0.00 178.00 176.76 1imu n ASN 46 N -4.99 0.16 0.00 -2.05 2.85 -1.26 -4.98 115.26 104.99 1imu n ASN 46 Ca 0.19 -1.33 0.00 0.00 -0.11 0.00 0.00 54.58 53.33 1imu n ASN 46 Cb 0.54 -0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.56 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 0.88 -0.05 3.03 8.20 0.00 0.11 -4.44 105.19 112.92 1imu n GLY 47 Ca 0.17 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 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 1.49 -0.21 1.61 0.40 0.51 0.81 117.98 118.59 1imu s PHE 48 Ca 0.00 -0.55 -0.03 0.00 -0.60 0.00 0.00 56.93 55.75 1imu s PHE 48 Cb 0.00 -1.09 -0.01 0.00 0.51 0.00 0.00 43.02 42.44 1imu s PHE 48 CO 0.00 -0.27 -0.06 -1.54 0.70 0.00 0.00 175.22 174.05 1imu s SER 49 N 0.62 4.20 0.16 1.36 1.04 0.41 -0.51 113.70 120.99 1imu s SER 49 Ca -0.14 -0.40 0.11 0.00 0.48 0.00 0.00 55.95 56.00 1imu s SER 49 Cb -0.16 -1.71 -0.04 0.00 0.10 0.00 0.00 66.02 64.21 1imu s SER 49 CO 0.04 -0.01 -0.25 -0.69 0.98 0.00 0.00 173.24 173.31 1imu s VAL 50 N 1.38 2.28 -0.15 5.02 1.01 0.99 0.46 120.40 131.40 1imu s VAL 50 Ca 0.05 -1.89 -0.10 0.00 0.00 0.00 0.00 61.98 60.03 1imu s VAL 50 Cb -0.14 -2.05 0.05 0.00 0.00 0.00 0.00 36.38 34.24 1imu s VAL 50 CO -0.03 -0.02 0.38 -0.70 0.00 0.00 0.00 175.10 174.72 1imu s GLU 51 N -2.37 0.39 0.22 2.72 2.12 0.94 0.22 118.70 122.94 1imu s GLU 51 Ca 0.17 0.65 0.11 0.00 0.36 0.00 0.00 54.97 56.26 1imu s GLU 51 Cb -0.09 0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.32 1imu s GLU 51 CO 0.08 -0.11 -0.16 0.00 -0.54 0.00 0.00 175.26 174.53 1imu s ALA 52 N 0.88 2.80 -0.25 6.30 0.00 0.10 0.16 121.76 131.74 1imu s ALA 52 Ca -0.05 -1.66 -0.02 0.00 0.00 0.00 0.00 51.96 50.22 1imu s ALA 52 Cb -0.06 -0.49 0.14 0.00 0.00 0.00 0.00 23.12 22.71 1imu s ALA 52 CO -0.07 0.38 0.41 -1.54 0.00 0.00 0.00 175.76 174.94 1imu s SER 53 N -3.08 0.02 -0.00 0.00 1.04 -0.76 0.12 113.70 111.03 1imu s SER 53 Ca 0.26 0.30 0.03 0.00 0.48 0.00 0.00 55.95 57.02 1imu s SER 53 Cb -0.07 1.26 -0.01 0.00 0.10 0.00 0.00 66.02 67.30 1imu s SER 53 CO 0.14 -0.30 -0.10 -0.63 0.98 0.00 0.00 173.24 173.34 1imu s ILE 54 N 2.59 0.75 0.14 -1.02 1.01 0.25 0.91 121.20 125.83 1imu s ILE 54 Ca 0.14 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 1imu s ILE 54 Cb -0.15 -0.64 -0.05 0.00 0.01 0.00 0.00 42.46 41.63 1imu s ILE 54 CO -0.17 0.19 0.33 -0.83 0.00 0.00 0.00 174.94 174.45 1imu s GLY 55 N -0.30 2.08 -0.06 6.18 0.00 -1.10 0.21 107.32 114.34 1imu s GLY 55 Ca 0.03 -0.73 -0.04 0.00 0.00 0.00 0.00 44.72 43.97 1imu s GLY 55 CO -0.00 -0.69 0.14 -0.51 0.00 0.00 0.00 173.10 172.04 1imu s THR 56 N -1.68 -0.01 0.46 0.90 -4.23 -1.22 0.18 115.64 110.05 1imu s THR 56 Ca 0.38 0.04 0.26 0.00 -1.18 0.00 0.00 61.69 61.20 1imu s THR 56 Cb -0.12 -0.21 0.26 0.00 1.34 0.00 0.00 72.50 73.77 1imu s THR 56 CO 0.27 0.02 1.78 -0.65 -0.54 0.00 0.00 174.62 175.50 1imu h PRO 57 N 6.24 0.00 0.00 3.99 0.11 -1.99 0.90 132.00 141.26 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 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1imu h PRO 57 CO 0.42 0.00 -0.78 1.28 -0.21 0.00 0.00 178.00 178.71 1imu n LEU 58 N -2.66 0.64 0.00 2.35 7.99 -1.26 -4.76 117.00 119.29 1imu n LEU 58 Ca -0.02 -0.06 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 1imu n LEU 58 Cb 0.33 -0.15 0.00 0.00 -0.11 0.00 0.00 43.42 43.49 1imu n LEU 58 CO 0.12 0.09 0.00 0.61 -1.51 0.00 0.00 177.39 176.70 1imu n GLY 59 N 1.43 4.17 3.20 -0.72 0.00 0.31 -4.97 105.19 108.61 1imu n GLY 59 Ca 0.04 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.91 -3.82 1.61 4.13 -1.25 -3.37 115.26 109.66 1imu n ASN 60 Ca 0.00 0.03 -0.12 0.00 1.68 0.00 0.00 54.58 56.16 1imu n ASN 60 Cb 0.00 -0.87 -0.11 0.00 -1.54 0.00 0.00 39.78 37.27 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 2.14 1.24 0.32 3.41 1.02 0.56 -4.75 118.68 122.62 1imu s LEU 61 Ca 0.49 0.18 -0.17 0.00 0.02 0.00 0.00 54.13 54.66 1imu s LEU 61 Cb -0.09 0.80 0.03 0.00 0.02 0.00 0.00 46.19 46.95 1imu s LEU 61 CO 0.68 -0.22 0.69 -0.76 0.02 0.00 0.00 176.35 176.76 1imu s LEU 62 N -0.58 0.01 -0.06 1.79 1.02 -1.26 0.87 118.68 120.47 1imu s LEU 62 Ca -0.07 -0.91 -0.31 0.00 0.02 0.00 0.00 54.13 52.86 1imu s LEU 62 Cb -0.04 2.54 0.12 0.00 0.02 0.00 0.00 46.19 48.83 1imu s LEU 62 CO 0.01 -1.44 1.14 0.00 0.02 0.00 0.00 176.35 176.08 1imu s ALA 63 N -3.30 -2.02 -0.28 4.21 0.00 0.12 -4.40 121.76 116.09 1imu s ALA 63 Ca 0.16 1.04 -0.24 0.00 0.00 0.00 0.00 51.96 52.91 1imu s ALA 63 Cb -0.05 0.22 0.13 0.00 0.00 0.00 0.00 23.12 23.42 1imu s ALA 63 CO 0.10 -0.80 1.04 -1.54 0.00 0.00 0.00 175.76 174.56 1imu s SER 64 N -2.57 -0.44 0.03 0.00 1.04 -1.26 0.01 113.70 110.52 1imu s SER 64 Ca 0.10 0.83 -0.23 0.00 0.48 0.00 0.00 55.95 57.14 1imu s SER 64 Cb 0.01 0.87 0.05 0.00 0.10 0.00 0.00 66.02 67.05 1imu s SER 64 CO -0.04 -0.14 0.51 0.00 0.98 0.00 0.00 173.24 174.55 1imu s ALA 65 N 0.30 -1.31 -0.07 5.32 0.00 0.13 -4.88 121.76 121.25 1imu s ALA 65 Ca 0.02 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.66 1imu s ALA 65 Cb -0.05 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.37 1imu s ALA 65 CO -0.07 -0.45 -0.14 0.99 0.00 0.00 0.00 175.76 176.08 1imu s THR 66 N -2.14 1.31 0.04 0.00 2.01 -1.26 -0.00 115.64 115.60 1imu s THR 66 Ca -0.07 -0.58 -0.28 0.00 0.31 0.00 0.00 61.69 61.07 1imu s THR 66 Cb -0.01 -1.18 0.09 0.00 0.01 0.00 0.00 72.50 71.42 1imu s THR 66 CO 0.01 0.39 0.92 -0.44 -0.69 0.00 0.00 174.62 174.81 1imu s SER 67 N 0.61 -0.30 0.00 3.53 0.01 0.34 -4.92 113.70 112.96 1imu s SER 67 Ca -0.15 -0.12 0.18 0.00 1.31 0.00 0.00 55.95 57.17 1imu s SER 67 Cb -0.16 0.41 1.03 0.00 0.21 0.00 0.00 66.02 67.50 1imu s SER 67 CO 0.05 -0.70 1.67 0.47 0.41 0.00 0.00 173.24 175.14 1imu n ASP 68 N -0.32 0.25 -4.04 2.44 9.92 -1.26 0.19 116.55 123.73 1imu n ASP 68 Ca -0.08 -1.48 -0.33 0.00 -0.53 0.00 0.00 54.79 52.37 1imu n ASP 68 Cb 0.61 -0.02 -0.13 0.00 -0.64 0.00 0.00 41.12 40.95 1imu n ASP 68 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1imu s ASP 69 N -1.56 4.87 0.00 -2.24 1.11 -1.26 -4.84 116.67 112.75 1imu s ASP 69 Ca 0.28 -2.50 0.00 0.00 0.18 0.00 0.00 52.55 50.50 1imu s ASP 69 Cb 0.13 -1.73 0.00 0.00 1.07 0.00 0.00 42.92 42.39 1imu s ASP 69 CO 0.22 -0.38 0.92 0.23 1.18 0.00 0.00 175.17 177.34 1imu n MET 70 N 3.87 0.00 0.29 8.23 2.81 -1.26 0.14 117.12 131.20 1imu n MET 70 Ca 0.04 0.92 0.16 0.00 -1.81 0.00 0.00 57.70 57.01 1imu n MET 70 Cb 0.38 -1.39 0.86 0.00 -0.71 0.00 0.00 33.22 32.36 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 -0.04 2.03 -1.99 -1.97 0.14 116.97 115.14 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 0.02 0.00 2.00 0.00 0.00 36.73 38.75 1imu h TYR 71 CO -0.84 0.06 -0.96 -0.22 -0.00 0.00 0.00 178.16 176.20 1imu h LYS 72 N 0.00 0.68 -0.40 4.88 1.63 -1.31 1.53 116.57 123.58 1imu h LYS 72 Ca -0.00 -0.68 -0.01 0.00 -0.85 0.00 0.00 60.65 59.11 1imu h LYS 72 Cb 0.26 0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 1imu h LYS 72 CO 0.01 1.27 0.21 0.00 -3.45 0.00 0.00 179.45 177.50 1imu h ALA 73 N 0.50 0.52 -0.63 5.00 0.00 0.24 1.82 119.26 126.70 1imu h ALA 73 Ca -0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1imu h ALA 73 Cb 1.60 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1imu h ALA 73 CO 0.19 0.05 0.19 0.82 0.00 0.00 0.00 179.25 180.50 1imu h ILE 74 N 0.52 1.24 -0.97 0.00 5.03 -0.92 0.27 117.51 122.67 1imu h ILE 74 Ca 0.14 -0.84 0.06 0.00 -0.12 0.00 0.00 64.86 64.10 1imu h ILE 74 Cb 0.07 0.55 -0.06 0.00 -3.03 0.00 0.00 36.82 34.36 1imu h ILE 74 CO -0.02 0.32 0.63 -1.13 -0.68 0.00 0.00 178.15 177.27 1imu h ASN 75 N 0.93 1.02 0.22 1.72 -0.73 0.46 0.18 115.58 119.38 1imu h ASN 75 Ca 0.21 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.37 1imu h ASN 75 Cb 0.28 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.66 1imu h ASN 75 CO -0.01 0.67 -0.11 -0.33 -0.37 0.00 0.00 177.43 177.28 1imu h GLU 76 N 1.16 -0.29 -0.41 6.67 5.08 0.42 -2.47 114.58 124.74 1imu h GLU 76 Ca 0.41 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.87 1imu h GLU 76 Cb 0.12 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.35 1imu h GLU 76 CO -0.15 0.09 -0.26 0.28 -1.00 0.00 0.00 179.01 177.97 1imu h VAL 77 N -0.87 0.32 -0.46 3.13 2.07 -0.22 0.69 116.25 120.91 1imu h VAL 77 Ca -0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.60 1imu h VAL 77 Cb 0.51 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1imu h VAL 77 CO 0.05 0.00 0.32 -0.08 0.02 0.00 0.00 177.57 177.88 1imu h GLU 78 N -0.19 0.14 -0.29 1.57 4.57 -0.73 0.55 114.58 120.21 1imu h GLU 78 Ca 0.19 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.24 1imu h GLU 78 Cb 0.49 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1imu h GLU 78 CO -0.52 0.09 -0.29 0.93 -1.18 0.00 0.00 179.01 178.05 1imu h GLU 79 N 0.14 0.70 -0.20 1.92 5.08 0.73 0.36 114.58 123.31 1imu h GLU 79 Ca 0.21 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1imu h GLU 79 Cb 0.66 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1imu h GLU 79 CO -0.03 0.98 -0.12 0.87 -1.00 0.00 0.00 179.01 179.71 1imu h LYS 80 N 0.44 0.44 -0.40 2.33 1.79 0.15 0.42 116.57 121.73 1imu h LYS 80 Ca 0.05 -0.20 -0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1imu h LYS 80 Cb 0.86 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.48 1imu h LYS 80 CO 0.07 0.74 0.24 -0.07 -1.08 0.00 0.00 179.45 179.35 1imu h LEU 81 N 0.12 0.49 0.12 2.94 -0.00 0.01 0.17 115.31 119.17 1imu h LEU 81 Ca 0.04 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 1imu h LEU 81 Cb 0.63 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1imu h LEU 81 CO 0.03 0.41 -0.06 -0.08 -0.00 0.00 0.00 178.44 178.75 1imu h GLU 82 N 0.53 -0.16 -0.53 1.13 4.22 -0.22 0.14 114.58 119.70 1imu h GLU 82 Ca 0.14 0.01 0.11 0.00 0.08 0.00 0.00 59.36 59.70 1imu h GLU 82 Cb 0.02 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.20 1imu h GLU 82 CO -0.03 0.08 -0.12 0.00 -2.18 0.00 0.00 179.01 176.76 1imu h ARG 83 N -0.38 0.01 -0.68 1.92 3.08 0.06 0.43 114.38 118.82 1imu h ARG 83 Ca -0.02 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1imu h ARG 83 Cb 0.31 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1imu h ARG 83 CO 0.03 0.01 0.41 1.96 -1.07 0.00 0.00 179.97 181.31 1imu h GLN 84 N 0.01 0.92 -0.09 0.04 4.20 -0.50 0.20 115.11 119.90 1imu h GLN 84 Ca 0.26 -0.08 0.04 0.00 0.06 0.00 0.00 58.65 58.93 1imu h GLN 84 Cb 0.39 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 27.92 1imu h GLN 84 CO -0.54 0.66 -0.26 -0.07 -0.67 0.00 0.00 178.83 177.95 1imu h LEU 85 N 0.93 -0.80 -1.53 1.46 3.38 0.22 0.21 115.31 119.19 1imu h LEU 85 Ca 0.25 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.37 1imu h LEU 85 Cb -0.03 0.34 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1imu h LEU 85 CO -0.05 -0.31 0.37 -1.13 0.09 0.00 0.00 178.44 177.41 1imu h ASN 86 N -0.35 0.53 -0.55 -0.43 -0.73 0.19 0.12 115.58 114.35 1imu h ASN 86 Ca 0.09 -0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.28 1imu h ASN 86 Cb 0.48 -0.12 -0.04 0.00 0.27 0.00 0.00 38.32 38.91 1imu h ASN 86 CO -0.29 0.36 0.33 0.11 -0.37 0.00 0.00 177.43 177.57 1imu h LYS 87 N 0.61 0.63 0.32 6.67 1.79 0.22 1.25 116.57 128.07 1imu h LYS 87 Ca 0.23 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.64 1imu h LYS 87 Cb 0.14 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1imu h LYS 87 CO -0.06 0.42 -0.16 -0.07 -1.08 0.00 0.00 179.45 178.50 1imu h LEU 88 N 0.65 -0.37 -2.01 2.94 3.38 0.13 1.00 115.31 121.03 1imu h LEU 88 Ca 0.22 -0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.27 1imu h LEU 88 Cb 0.03 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1imu h LEU 88 CO -0.10 -0.15 0.38 1.56 0.09 0.00 0.00 178.44 180.22 1imu h GLN 89 N -0.57 0.00 0.06 1.13 1.08 -0.31 -2.18 115.11 114.31 1imu h GLN 89 Ca -0.04 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1imu h GLN 89 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1imu h GLN 89 CO 0.07 0.00 -0.03 0.45 -0.95 0.00 0.00 178.83 178.37 1imu h HIS 90 N 0.00 -0.07 -1.89 2.96 3.86 0.25 -3.47 115.15 116.79 1imu h HIS 90 Ca 0.24 -0.00 -0.42 0.00 -1.16 0.00 0.00 60.37 59.03 1imu h HIS 90 Cb 1.01 0.02 0.22 0.00 1.06 0.00 0.00 27.41 29.72 1imu h HIS 90 CO 0.00 0.40 -1.38 1.17 0.86 0.00 0.00 177.93 178.99 1imu n LYS 91 N -4.78 -1.30 -2.66 2.45 3.00 0.34 -5.01 118.16 110.20 1imu n LYS 91 Ca -0.06 -0.37 -0.04 0.00 -0.00 0.00 0.00 58.31 57.84 1imu n LYS 91 Cb 0.25 -1.48 0.08 0.00 0.00 0.00 0.00 35.03 33.88 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 -0.24 -1.25 0.39 3.14 7.64 -1.26 -4.96 113.62 117.08 1imu n SER 92 Ca 0.01 -1.72 -0.18 0.00 1.01 0.00 0.00 58.87 57.98 1imu n SER 92 Cb 0.61 0.67 -0.09 0.00 -1.01 0.00 0.00 64.21 64.39 1imu n SER 92 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1imu h GLU 93 N 3.15 -0.96 -1.62 1.43 4.81 -1.95 -3.46 114.58 115.98 1imu h GLU 93 Ca -0.23 0.07 -0.40 0.00 -0.13 0.00 0.00 59.36 58.67 1imu h GLU 93 Cb 1.21 0.22 -0.12 0.00 0.63 0.00 0.00 28.75 30.69 1imu h GLU 93 CO -0.21 -0.64 -0.40 0.43 -0.73 0.00 0.00 179.01 177.46 1imu n SER 94 N -5.53 -5.26 -0.02 1.04 7.64 -1.26 -4.77 113.62 105.46 1imu n SER 94 Ca -0.14 0.36 -0.02 0.00 1.01 0.00 0.00 58.87 60.08 1imu n SER 94 Cb 0.41 -4.60 -0.03 0.00 -1.01 0.00 0.00 64.21 58.98 1imu n SER 94 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1imu n ARG 95 N -2.48 2.54 -3.82 1.43 0.63 -1.26 -5.05 116.66 108.65 1imu n ARG 95 Ca -0.20 0.01 -0.12 0.00 -0.92 0.00 0.00 57.85 56.61 1imu n ARG 95 Cb 0.65 -1.10 -0.12 0.00 0.45 0.00 0.00 32.46 32.35 1imu n ARG 95 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1imu s ARG 96 N -2.09 0.29 0.06 -0.14 3.52 -1.26 -5.16 118.95 114.16 1imu s ARG 96 Ca -0.03 0.10 0.09 0.00 -0.13 0.00 0.00 55.73 55.76 1imu s ARG 96 Cb 0.01 0.13 -0.03 0.00 -1.56 0.00 0.00 34.95 33.50 1imu s ARG 96 CO 0.15 -0.05 -0.25 0.00 -0.81 0.00 0.00 175.30 174.33 1imu s ALA 97 N -0.27 2.33 0.46 6.12 0.00 -1.26 -4.99 121.76 124.15 1imu s ALA 97 Ca -0.04 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1imu s ALA 97 Cb -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1imu s ALA 97 CO 0.01 0.54 0.00 -0.25 0.00 0.00 0.00 175.76 176.06 1imu n ASP 98 N 1.60 -8.55 -3.65 0.00 9.92 -1.26 -5.03 116.55 109.58 1imu n ASP 98 Ca -0.17 0.95 -0.02 0.00 -0.53 0.00 0.00 54.79 55.02 1imu n ASP 98 Cb 0.52 -4.61 -0.07 0.00 -0.64 0.00 0.00 41.12 36.32 1imu n ASP 98 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1imu s GLU 99 N -3.12 0.18 0.00 -1.24 -1.05 -1.26 -5.05 118.70 107.15 1imu s GLU 99 Ca 0.00 0.26 0.00 0.00 -0.15 0.00 0.00 54.97 55.08 1imu s GLU 99 Cb 0.00 0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.75 1imu s GLU 99 CO 0.00 -0.03 0.00 2.89 0.95 0.00 0.00 175.26 179.07 1imu n ARG 100 N 2.57 0.00 0.00 -4.83 1.85 -1.26 -5.00 116.66 109.98 1imu n ARG 100 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.71 1imu n ARG 100 Cb 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 1imu n ARG 100 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1imu n LEU 101 N -0.60 0.00 0.00 2.89 7.99 -1.26 -1.77 117.00 124.25 1imu n LEU 101 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1imu n LEU 101 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1imu n LEU 101 CO 0.00 0.00 -0.41 2.29 -1.51 0.00 0.00 177.39 177.76 1imu n LYS 102 N 0.00 0.00 -3.57 3.23 2.85 -1.26 -5.06 118.16 114.35 1imu n LYS 102 Ca 0.00 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.91 1imu n LYS 102 Cb 0.00 -0.84 -0.05 0.00 -0.65 0.00 0.00 35.03 33.49 1imu n LYS 102 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1imu s ASP 103 N -4.00 6.66 -0.10 -5.58 -4.77 -0.73 -5.02 116.67 103.12 1imu s ASP 103 Ca 0.00 0.81 -0.12 0.00 -3.30 0.00 0.00 52.55 49.94 1imu s ASP 103 Cb 0.00 -2.18 -0.05 0.00 -1.09 0.00 0.00 42.92 39.60 1imu s ASP 103 CO 0.00 0.19 -0.24 -0.24 0.70 0.00 0.00 175.17 175.58 1imu n SER 104 N 1.01 1.64 -4.85 2.11 2.88 -1.26 -4.50 113.62 110.65 1imu n SER 104 Ca -0.09 0.27 -0.32 0.00 -1.33 0.00 0.00 58.87 57.40 1imu n SER 104 Cb 0.52 -0.61 -0.06 0.00 -0.75 0.00 0.00 64.21 63.32 1imu n SER 104 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1imu s PHE 105 N -2.59 3.41 0.00 0.66 2.19 -1.26 -4.94 117.98 115.45 1imu s PHE 105 Ca -0.21 0.25 0.00 0.00 0.33 0.00 0.00 56.93 57.30 1imu s PHE 105 Cb 0.04 -1.75 0.00 0.00 -1.31 0.00 0.00 43.02 39.99 1imu s PHE 105 CO 0.30 0.59 0.00 -0.85 1.83 0.00 0.00 175.22 177.09 1imu n GLU 106 N 0.79 0.00 0.00 10.12 0.28 -1.26 -5.23 120.64 125.34 1imu n GLU 106 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 1imu n GLU 106 Cb 0.52 -0.02 0.00 0.00 1.43 0.00 0.00 31.44 33.37 1imu n GLU 106 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24