#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2o n SER 2 N 0.00 -0.01 -0.14 1.61 3.41 -1.26 -5.05 113.62 112.18 1j2o n SER 2 Ca 0.00 -0.55 -0.29 0.00 -0.26 0.00 0.00 58.87 57.77 1j2o n SER 2 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1j2o n SER 2 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1j2o n LEU 3 N 0.00 2.02 -4.84 1.04 4.77 -1.26 -4.99 117.00 113.75 1j2o n LEU 3 Ca 0.00 0.31 -0.32 0.00 -0.03 0.00 0.00 56.01 55.97 1j2o n LEU 3 Cb 0.00 -0.83 -0.05 0.00 -2.33 0.00 0.00 43.42 40.21 1j2o n LEU 3 CO 0.00 0.60 0.59 -0.76 -1.33 0.00 0.00 177.39 176.48 1j2o s LEU 4 N -7.45 3.86 -0.03 2.23 1.43 -1.26 -4.98 118.68 112.48 1j2o s LEU 4 Ca -0.39 1.50 0.03 0.00 -1.03 0.00 0.00 54.13 54.25 1j2o s LEU 4 Cb 0.15 -4.37 -0.00 0.00 0.03 0.00 0.00 46.19 41.99 1j2o s LEU 4 CO 0.50 -0.40 -0.11 0.42 0.23 0.00 0.00 176.35 176.98 1j2o s THR 5 N -2.29 0.97 0.06 5.49 -4.23 -1.26 -0.67 115.64 113.71 1j2o s THR 5 Ca 0.58 -0.47 -0.20 0.00 -1.18 0.00 0.00 61.69 60.42 1j2o s THR 5 Cb -0.10 -0.84 -0.06 0.00 1.34 0.00 0.00 72.50 72.83 1j2o s THR 5 CO 0.21 0.29 0.59 0.00 -0.54 0.00 0.00 174.62 175.17 1j2o n GLY 7 N 1.90 -0.92 0.12 0.00 0.00 0.30 -0.50 105.19 106.09 1j2o n GLY 7 Ca -0.09 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 1j2o n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2o n GLY 8 N 0.66 -0.61 0.00 -0.02 0.00 -1.26 -4.43 105.19 99.53 1j2o n GLY 8 Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1j2o n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2o n GLN 10 N -1.17 -1.29 -0.23 0.00 7.27 0.34 -4.86 117.38 117.43 1j2o n GLN 10 Ca 0.00 0.94 0.04 0.00 0.07 0.00 0.00 57.00 58.05 1j2o n GLN 10 Cb 0.22 -5.29 0.14 0.00 2.41 0.00 0.00 30.24 27.72 1j2o n GLN 10 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1j2o n GLN 11 N -2.58 2.04 -0.55 3.69 10.64 -1.26 -4.81 117.38 124.55 1j2o n GLN 11 Ca -0.19 -1.13 0.00 0.00 -1.83 0.00 0.00 57.00 53.85 1j2o n GLN 11 Cb 0.62 -1.47 0.00 0.00 -0.86 0.00 0.00 30.24 28.53 1j2o n GLN 11 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1j2o n ASN 12 N 0.31 -4.10 -4.41 2.61 4.13 -1.26 -4.92 115.26 107.61 1j2o n ASN 12 Ca 0.10 0.40 -0.44 0.00 1.68 0.00 0.00 54.58 56.32 1j2o n ASN 12 Cb 0.40 -0.80 -0.07 0.00 -1.54 0.00 0.00 39.78 37.77 1j2o n ASN 12 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1j2o s ILE 13 N -1.46 5.11 -0.21 2.41 1.01 0.16 -4.87 121.20 123.35 1j2o s ILE 13 Ca 0.00 -0.83 0.12 0.00 0.00 0.00 0.00 60.65 59.94 1j2o s ILE 13 Cb 0.00 -4.17 0.43 0.00 0.01 0.00 0.00 42.46 38.73 1j2o s ILE 13 CO 0.00 -0.63 1.20 0.61 0.00 0.00 0.00 174.94 176.12 1j2o n GLY 14 N 5.19 4.91 1.47 6.18 0.00 -1.26 -4.38 105.19 117.30 1j2o n GLY 14 Ca -0.10 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 1j2o n GLY 14 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j2o n ASP 15 N -0.85 0.09 -0.00 1.61 8.00 -1.26 -5.01 116.55 119.12 1j2o n ASP 15 Ca 0.23 -1.21 0.11 0.00 0.71 0.00 0.00 54.79 54.63 1j2o n ASP 15 Cb 0.80 -0.37 -0.15 0.00 -0.02 0.00 0.00 41.12 41.38 1j2o n ASP 15 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1j2o n ARG 16 N -2.04 0.51 -3.64 -1.24 -4.01 -1.26 -4.73 116.66 100.25 1j2o n ARG 16 Ca 0.06 -0.14 -0.15 0.00 -1.04 0.00 0.00 57.85 56.58 1j2o n ARG 16 Cb 0.22 -1.53 -0.08 0.00 -3.04 0.00 0.00 32.46 28.04 1j2o n ARG 16 CO 0.00 0.00 0.00 -0.47 -3.04 0.00 0.00 177.63 174.12 1j2o s TYR 17 N -3.40 -0.55 0.03 2.89 5.04 -1.26 -3.94 117.35 116.16 1j2o s TYR 17 Ca -0.04 1.15 -0.01 0.00 -2.44 0.00 0.00 57.07 55.73 1j2o s TYR 17 Cb 0.14 0.26 0.00 0.00 0.35 0.00 0.00 41.96 42.71 1j2o s TYR 17 CO 0.90 -0.43 0.05 1.97 -1.34 0.00 0.00 175.55 176.70 1j2o n PHE 18 N 1.84 -0.76 -4.89 4.97 -1.74 -0.61 -4.55 117.46 111.71 1j2o n PHE 18 Ca -0.17 -0.18 -0.28 0.00 -0.56 0.00 0.00 57.45 56.26 1j2o n PHE 18 Cb 0.56 0.06 -0.17 0.00 1.52 0.00 0.00 39.48 41.46 1j2o n PHE 18 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1j2o s LEU 19 N 0.00 1.87 -0.27 5.98 1.43 -1.26 -0.03 118.68 126.40 1j2o s LEU 19 Ca 0.02 -0.41 -0.25 0.00 -1.03 0.00 0.00 54.13 52.46 1j2o s LEU 19 Cb -0.00 -1.09 0.08 0.00 0.03 0.00 0.00 46.19 45.21 1j2o s LEU 19 CO 0.01 0.11 0.79 -0.75 0.23 0.00 0.00 176.35 176.74 1j2o s LYS 20 N 0.41 0.76 0.00 1.70 2.36 -1.16 -0.10 119.74 123.72 1j2o s LYS 20 Ca -0.14 0.92 0.00 0.00 -2.55 0.00 0.00 55.97 54.20 1j2o s LYS 20 Cb -0.16 0.36 0.00 0.00 -1.05 0.00 0.00 37.83 36.98 1j2o s LYS 20 CO 0.05 -0.09 0.00 0.00 1.55 0.00 0.00 175.35 176.86 1j2o n ALA 21 N 2.66 0.00 -0.04 3.13 0.00 -1.18 -3.57 120.51 121.52 1j2o n ALA 21 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.19 1j2o n ALA 21 Cb 0.55 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 1j2o n ALA 21 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1j2o h ILE 22 N 0.00 0.16 0.00 0.00 2.04 -1.35 -3.43 117.51 114.93 1j2o h ILE 22 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1j2o h ILE 22 Cb 0.00 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1j2o h ILE 22 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.48 1j2o n ASP 23 N -5.43 0.00 -3.09 1.72 2.03 -1.26 -5.03 116.55 105.49 1j2o n ASP 23 Ca -0.03 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.29 1j2o n ASP 23 Cb 0.35 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.77 1j2o n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j2o n GLN 24 N 0.00 0.27 -3.90 -0.67 0.00 -1.26 -5.14 117.38 106.68 1j2o n GLN 24 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 57.00 55.90 1j2o n GLN 24 Cb 0.00 1.21 -0.04 0.00 0.00 0.00 0.00 30.24 31.41 1j2o n GLN 24 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1j2o s TYR 25 N -2.48 3.51 0.00 2.61 2.02 -1.26 -3.08 117.35 118.67 1j2o s TYR 25 Ca 0.22 0.26 0.00 0.00 -0.37 0.00 0.00 57.07 57.17 1j2o s TYR 25 Cb -0.01 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 1j2o s TYR 25 CO 0.01 0.57 0.00 0.91 -1.57 0.00 0.00 175.55 175.47 1j2o n TRP 26 N 0.16 0.00 -4.25 2.71 7.02 0.86 -0.54 117.44 123.40 1j2o n TRP 26 Ca -0.05 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.24 1j2o n TRP 26 Cb 0.51 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.29 1j2o n TRP 26 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 1j2o s HIS 27 N -0.07 1.46 0.31 -5.99 3.76 -1.25 -4.16 115.29 109.34 1j2o s HIS 27 Ca 0.00 -0.54 0.01 0.00 -0.15 0.00 0.00 55.06 54.38 1j2o s HIS 27 Cb 0.00 -0.76 0.49 0.00 1.11 0.00 0.00 32.58 33.42 1j2o s HIS 27 CO 0.00 0.17 1.84 0.93 -0.85 0.00 0.00 174.74 176.83 1j2o h GLU 28 N 3.48 0.68 -0.16 1.40 5.08 -1.87 -2.91 114.58 120.29 1j2o h GLU 28 Ca -0.40 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1j2o h GLU 28 Cb 1.20 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1j2o h GLU 28 CO 0.51 0.66 0.00 -3.47 -1.00 0.00 0.00 179.01 175.70 1j2o n ASP 29 N -4.27 2.55 0.05 1.42 2.03 -1.26 -4.34 116.55 112.73 1j2o n ASP 29 Ca 0.03 -1.74 -0.20 0.00 0.52 0.00 0.00 54.79 53.40 1j2o n ASP 29 Cb 0.24 -0.10 -0.14 0.00 -0.72 0.00 0.00 41.12 40.40 1j2o n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j2o s LEU 31 N -7.05 4.83 0.00 0.00 1.43 -1.11 -4.41 118.68 112.37 1j2o s LEU 31 Ca -0.14 -1.69 0.00 0.00 -1.03 0.00 0.00 54.13 51.27 1j2o s LEU 31 Cb 0.06 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1j2o s LEU 31 CO 0.84 -1.19 0.00 -1.54 0.23 0.00 0.00 176.35 174.69 1j2o n SER 32 N 6.94 0.00 -4.56 2.29 3.41 -1.26 -4.95 113.62 115.48 1j2o n SER 32 Ca 0.14 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.32 1j2o n SER 32 Cb 0.48 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 1j2o n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j2o n ASP 34 N 7.65 1.92 -0.11 0.00 -0.08 -1.26 -2.94 116.55 121.74 1j2o n ASP 34 Ca 0.06 0.35 -0.06 0.00 -1.51 0.00 0.00 54.79 53.63 1j2o n ASP 34 Cb 0.48 -0.87 0.01 0.00 2.34 0.00 0.00 41.12 43.09 1j2o n ASP 34 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1j2o h LEU 35 N -0.90 0.16 -0.34 -2.67 5.85 -1.83 -2.21 115.31 113.37 1j2o h LEU 35 Ca -0.53 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.05 1j2o h LEU 35 Cb 1.51 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.56 1j2o h LEU 35 CO -0.29 0.13 -0.52 0.00 -0.34 0.00 0.00 178.44 177.41 1j2o n GLY 37 N 0.31 0.36 0.39 0.00 0.00 -0.83 -4.92 105.19 100.49 1j2o n GLY 37 Ca -0.04 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 1j2o n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2o h ARG 39 N -1.21 -0.04 -0.28 0.00 1.12 -1.92 -3.39 114.38 108.66 1j2o h ARG 39 Ca -0.10 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 58.84 1j2o h ARG 39 Cb 0.74 0.01 -0.08 0.00 -0.01 0.00 0.00 29.97 30.63 1j2o h ARG 39 CO 0.16 -0.02 -0.40 -0.07 -3.11 0.00 0.00 179.97 176.53 1j2o h LEU 40 N -0.14 -1.29 -1.86 3.80 4.07 -1.75 -3.49 115.31 114.66 1j2o h LEU 40 Ca -0.00 0.19 0.00 0.00 0.08 0.00 0.00 57.88 58.15 1j2o h LEU 40 Cb 0.03 0.56 0.00 0.00 1.08 0.00 0.00 40.66 42.32 1j2o h LEU 40 CO 0.01 -0.38 0.00 0.61 -1.08 0.00 0.00 178.44 177.60 1j2o n GLY 41 N -1.42 -1.79 0.03 0.83 0.00 -1.02 -2.91 105.19 98.91 1j2o n GLY 41 Ca -0.02 -0.43 0.15 0.00 0.00 0.00 0.00 46.02 45.72 1j2o n GLY 41 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1j2o n GLU 42 N -0.01 1.04 -0.28 1.61 -0.00 -1.26 -2.22 120.64 119.52 1j2o n GLU 42 Ca 0.00 -0.06 0.10 0.00 -0.00 0.00 0.00 57.16 57.21 1j2o n GLU 42 Cb 0.00 -1.47 0.27 0.00 -0.00 0.00 0.00 31.44 30.24 1j2o n GLU 42 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1j2o n VAL 43 N -0.90 0.75 0.00 3.84 0.24 -1.26 -4.77 118.33 116.22 1j2o n VAL 43 Ca 0.22 -0.80 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 1j2o n VAL 43 Cb 0.12 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 1j2o n VAL 43 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j2o n GLY 44 N 1.48 -0.13 0.00 7.63 0.00 -1.23 -5.12 105.19 107.82 1j2o n GLY 44 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1j2o n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j2o n ARG 45 N 0.00 0.00 -3.99 1.61 1.74 -0.94 -5.00 116.66 110.08 1j2o n ARG 45 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1j2o n ARG 45 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 1j2o n ARG 45 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1j2o s ARG 46 N 0.73 3.35 -0.09 5.56 0.52 -1.15 -4.07 118.95 123.81 1j2o s ARG 46 Ca 0.00 -0.81 -0.14 0.00 -0.52 0.00 0.00 55.73 54.26 1j2o s ARG 46 Cb 0.00 -2.84 0.03 0.00 0.52 0.00 0.00 34.95 32.66 1j2o s ARG 46 CO 0.00 0.42 0.35 -0.48 0.02 0.00 0.00 175.30 175.61 1j2o s LEU 47 N -3.96 0.67 -0.41 2.53 0.05 -1.26 -4.55 118.68 111.76 1j2o s LEU 47 Ca 0.34 0.49 0.02 0.00 0.05 0.00 0.00 54.13 55.03 1j2o s LEU 47 Cb -0.09 1.28 0.12 0.00 -2.05 0.00 0.00 46.19 45.46 1j2o s LEU 47 CO 0.28 -0.26 0.17 -0.47 -0.55 0.00 0.00 176.35 175.53 1j2o s TYR 48 N -0.41 2.59 0.04 3.48 5.04 -1.26 -4.85 117.35 121.98 1j2o s TYR 48 Ca -0.05 -2.58 0.05 0.00 -2.44 0.00 0.00 57.07 52.05 1j2o s TYR 48 Cb -0.03 -2.29 -0.02 0.00 0.35 0.00 0.00 41.96 39.96 1j2o s TYR 48 CO 0.02 -0.83 -0.15 1.52 -1.34 0.00 0.00 175.55 174.77 1j2o s TYR 49 N 0.61 1.31 0.47 4.97 1.13 -1.26 -0.82 117.35 123.76 1j2o s TYR 49 Ca 0.14 -0.36 0.07 0.00 -1.41 0.00 0.00 57.07 55.51 1j2o s TYR 49 Cb -0.22 -0.78 0.03 0.00 -1.10 0.00 0.00 41.96 39.89 1j2o s TYR 49 CO -0.07 0.05 0.65 -1.59 -2.51 0.00 0.00 175.55 172.07 1j2o s LYS 50 N -1.18 2.68 0.00 -3.49 -2.85 0.89 -2.97 119.74 112.82 1j2o s LYS 50 Ca 0.02 -1.19 0.00 0.00 -1.00 0.00 0.00 55.97 53.80 1j2o s LYS 50 Cb -0.08 -2.68 0.00 0.00 -2.06 0.00 0.00 37.83 33.01 1j2o s LYS 50 CO 0.01 -0.46 0.00 1.47 0.10 0.00 0.00 175.35 176.47 1j2o n LEU 51 N -2.02 0.00 -0.13 2.77 -0.00 -1.26 -1.27 117.00 115.09 1j2o n LEU 51 Ca 0.09 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.13 1j2o n LEU 51 Cb 0.59 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 44.06 1j2o n LEU 51 CO 0.40 0.00 0.41 0.61 -0.00 0.00 0.00 177.39 178.82 1j2o n GLY 52 N -0.99 1.75 2.75 1.47 0.00 -1.26 -5.01 105.19 103.91 1j2o n GLY 52 Ca 0.00 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 1j2o n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j2o s ARG 53 N -1.12 0.64 -0.77 1.61 0.52 -0.40 -5.08 118.95 114.35 1j2o s ARG 53 Ca 0.09 -0.17 -0.26 0.00 -0.52 0.00 0.00 55.73 54.87 1j2o s ARG 53 Cb 0.08 -1.58 0.02 0.00 0.52 0.00 0.00 34.95 33.99 1j2o s ARG 53 CO 0.01 -0.48 1.46 0.15 0.02 0.00 0.00 175.30 176.45 1j2o s LYS 54 N 1.91 3.11 0.02 3.54 1.02 -1.26 -0.08 119.74 128.01 1j2o s LYS 54 Ca 0.02 -0.23 -0.24 0.00 0.02 0.00 0.00 55.97 55.54 1j2o s LYS 54 Cb -0.15 -4.46 0.06 0.00 -0.52 0.00 0.00 37.83 32.76 1j2o s LYS 54 CO -0.07 -2.34 0.56 -0.48 -0.92 0.00 0.00 175.35 172.10 1j2o s LEU 55 N 6.49 -0.21 0.52 3.17 2.34 -0.00 -3.75 118.68 127.23 1j2o s LEU 55 Ca 0.45 0.32 -0.22 0.00 0.06 0.00 0.00 54.13 54.73 1j2o s LEU 55 Cb -0.07 2.21 -0.06 0.00 -0.56 0.00 0.00 46.19 47.71 1j2o s LEU 55 CO 0.11 -0.68 1.30 0.00 -1.06 0.00 0.00 176.35 176.02 1j2o h ARG 57 N 1.68 -0.16 0.00 0.00 9.65 -1.86 0.27 114.38 123.95 1j2o h ARG 57 Ca -0.50 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.36 1j2o h ARG 57 Cb 1.28 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.89 1j2o h ARG 57 CO 0.58 0.27 -0.12 0.00 2.80 0.00 0.00 179.97 183.50 1j2o h ARG 58 N -0.93 0.00 0.20 0.20 -0.00 -1.90 -0.59 114.38 111.37 1j2o h ARG 58 Ca -0.02 0.00 -0.33 0.00 -0.50 0.00 0.00 59.98 59.13 1j2o h ARG 58 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 29.97 30.49 1j2o h ARG 58 CO 0.03 0.12 -1.54 -0.44 0.00 0.00 0.00 179.97 178.13 1j2o h ASP 59 N 0.00 0.67 -0.44 7.04 5.19 -1.89 -3.23 116.42 123.76 1j2o h ASP 59 Ca -0.00 -0.81 0.00 0.00 -0.62 0.00 0.00 57.03 55.60 1j2o h ASP 59 Cb 0.30 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 1j2o h ASP 59 CO 0.02 1.66 0.28 0.22 -3.12 0.00 0.00 179.24 178.29 1j2o h TYR 60 N 0.12 0.58 0.00 4.55 3.20 0.25 0.45 116.97 126.11 1j2o h TYR 60 Ca -0.27 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.61 1j2o h TYR 60 Cb 2.11 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 40.19 1j2o h TYR 60 CO 0.10 0.38 0.00 -0.11 -1.64 0.00 0.00 178.16 176.89 1j2o n LEU 61 N -4.45 0.00 -0.06 2.82 7.94 -0.29 -0.62 117.00 122.34 1j2o n LEU 61 Ca 0.04 0.48 -0.12 0.00 -1.11 0.00 0.00 56.01 55.29 1j2o n LEU 61 Cb 0.07 -0.48 -0.04 0.00 0.53 0.00 0.00 43.42 43.50 1j2o n LEU 61 CO 0.36 -0.09 -0.81 0.54 -1.11 0.00 0.00 177.39 176.28 1j2o n ARG 62 N -1.48 0.28 -0.01 1.96 5.12 -0.19 -3.51 116.66 118.83 1j2o n ARG 62 Ca 0.06 0.12 -0.18 0.00 -1.93 0.00 0.00 57.85 55.93 1j2o n ARG 62 Cb 0.27 -0.98 -0.08 0.00 -1.16 0.00 0.00 32.46 30.51 1j2o n ARG 62 CO 0.00 0.00 0.00 1.37 -1.93 0.00 0.00 177.63 177.07 1j2o h LEU 63 N -0.49 0.95 0.00 0.55 8.10 -0.30 -2.97 115.31 121.15 1j2o h LEU 63 Ca -0.26 -0.65 0.00 0.00 0.11 0.00 0.00 57.88 57.09 1j2o h LEU 63 Cb 1.10 -0.28 0.00 0.00 -0.44 0.00 0.00 40.66 41.03 1j2o h LEU 63 CO -0.16 1.45 -0.31 1.23 -4.11 0.00 0.00 178.44 176.54 1j2o h GLY 64 N 0.53 0.00 -3.17 0.17 0.00 -0.97 -3.26 103.07 96.37 1j2o h GLY 64 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 1j2o h GLY 64 CO 0.17 0.00 -0.04 0.61 0.00 0.00 0.00 176.54 177.28 1j2o n GLY 65 N 1.14 2.64 0.00 4.60 0.00 -0.45 -4.55 105.19 108.57 1j2o n GLY 65 Ca 0.03 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 45.85 1j2o n GLY 65 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j2o n SER 66 N 1.61 0.00 -0.12 1.61 7.64 -1.23 -2.86 113.62 120.27 1j2o n SER 66 Ca 0.08 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.28 1j2o n SER 66 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1j2o n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j2o n GLY 67 N -0.08 -0.37 7.00 0.23 0.00 -1.26 -4.94 105.19 105.76 1j2o n GLY 67 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1j2o n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2o n GLY 68 N 0.33 1.41 3.15 -0.02 0.00 -1.13 -4.51 105.19 104.42 1j2o n GLY 68 Ca 0.00 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1j2o n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j2o s HIS 69 N 0.00 1.38 -0.08 1.61 0.09 -1.26 -5.00 115.29 112.03 1j2o s HIS 69 Ca 0.00 -0.30 0.06 0.00 -0.00 0.00 0.00 55.06 54.82 1j2o s HIS 69 Cb 0.00 -0.86 -0.09 0.00 -0.00 0.00 0.00 32.58 31.63 1j2o s HIS 69 CO 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 174.74 174.75 1j2o n MET 70 N 2.38 2.17 0.00 1.40 3.85 -1.26 -4.99 117.12 120.67 1j2o n MET 70 Ca -0.16 0.01 0.00 0.00 -1.00 0.00 0.00 57.70 56.55 1j2o n MET 70 Cb 0.55 -1.21 0.00 0.00 -1.05 0.00 0.00 33.22 31.51 1j2o n MET 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1j2o n GLY 71 N 2.61 0.63 0.00 3.17 0.00 -1.26 -5.16 105.19 105.18 1j2o n GLY 71 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1j2o n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j2o n SER 72 N 0.00 1.04 0.00 1.61 3.41 -1.26 -4.71 113.62 113.71 1j2o n SER 72 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1j2o n SER 72 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1j2o n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j2o n GLY 73 N 5.00 1.35 6.99 5.00 0.00 -0.96 -4.94 105.19 117.63 1j2o n GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j2o n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2o n GLY 74 N 3.26 1.95 3.14 -0.02 0.00 0.22 -4.32 105.19 109.42 1j2o n GLY 74 Ca 0.00 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1j2o n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j2o s ASP 75 N -4.00 5.42 -0.03 1.61 2.15 -1.26 -4.90 116.67 115.66 1j2o s ASP 75 Ca 0.00 -2.35 0.03 0.00 0.43 0.00 0.00 52.55 50.66 1j2o s ASP 75 Cb 0.00 -1.90 0.00 0.00 -0.30 0.00 0.00 42.92 40.72 1j2o s ASP 75 CO 0.00 -0.51 -0.11 -0.69 -0.17 0.00 0.00 175.17 173.69 1j2o s VAL 76 N 0.69 0.95 -0.63 1.11 1.01 -1.26 -5.08 120.40 117.20 1j2o s VAL 76 Ca 0.11 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.37 1j2o s VAL 76 Cb -0.22 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 1j2o s VAL 76 CO -0.03 0.29 1.92 -0.04 0.00 0.00 0.00 175.10 177.23 1j2o s MET 77 N 0.11 2.57 0.44 2.72 -1.94 -1.26 -4.94 119.30 117.00 1j2o s MET 77 Ca -0.02 0.60 0.03 0.00 -1.71 0.00 0.00 55.69 54.59 1j2o s MET 77 Cb -0.09 -4.46 0.03 0.00 2.01 0.00 0.00 34.83 32.32 1j2o s MET 77 CO 0.01 -2.84 0.23 1.33 -0.01 0.00 0.00 175.02 173.74 1j2o n VAL 78 N 7.34 0.00 0.75 -6.03 0.24 -1.26 -5.02 118.33 114.35 1j2o n VAL 78 Ca 0.23 -1.84 0.13 0.00 -2.04 0.00 0.00 64.34 60.83 1j2o n VAL 78 Cb 0.52 0.04 0.47 0.00 -1.47 0.00 0.00 33.84 33.40 1j2o n VAL 78 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1j2o n VAL 79 N -1.40 0.39 0.00 3.34 3.14 -1.26 -4.91 118.33 117.63 1j2o n VAL 79 Ca -0.07 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 1j2o n VAL 79 Cb 0.52 -0.54 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 1j2o n VAL 79 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j2o n GLY 80 N 1.38 -1.32 3.89 7.55 0.00 -1.26 -5.14 105.19 110.28 1j2o n GLY 80 Ca 0.06 0.51 -0.34 0.00 0.00 0.00 0.00 46.02 46.25 1j2o n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j2o s GLU 81 N 0.00 3.58 0.46 1.61 0.41 -1.26 -5.08 118.70 118.42 1j2o s GLU 81 Ca 0.00 -0.10 -0.22 0.00 -0.41 0.00 0.00 54.97 54.24 1j2o s GLU 81 Cb 0.00 -3.03 -0.09 0.00 -1.78 0.00 0.00 34.13 29.23 1j2o s GLU 81 CO 0.00 0.61 1.05 -2.14 -0.49 0.00 0.00 175.26 174.29 1j2o s PRO 82 N -2.00 3.92 0.36 0.39 0.02 -1.26 -4.95 135.00 131.48 1j2o s PRO 82 Ca 0.31 1.43 0.08 0.00 0.02 0.00 0.00 61.00 62.84 1j2o s PRO 82 Cb -0.13 -2.25 -0.04 0.00 0.02 0.00 0.00 34.50 32.09 1j2o s PRO 82 CO 0.19 -0.34 0.15 0.95 -0.33 0.00 0.00 177.00 177.62 1j2o s THR 83 N -1.86 2.81 -0.66 0.99 -4.23 -1.26 -4.85 115.64 106.58 1j2o s THR 83 Ca 0.64 -1.71 -0.26 0.00 -1.18 0.00 0.00 61.69 59.18 1j2o s THR 83 Cb -0.19 -2.96 -0.02 0.00 1.34 0.00 0.00 72.50 70.67 1j2o s THR 83 CO 0.23 -0.14 1.84 -0.76 -0.54 0.00 0.00 174.62 175.25 1j2o s LEU 84 N -3.86 3.27 -0.33 4.79 1.43 -1.26 -4.80 118.68 117.92 1j2o s LEU 84 Ca 0.39 0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.71 1j2o s LEU 84 Cb -0.01 -2.54 0.47 0.00 0.03 0.00 0.00 46.19 44.15 1j2o s LEU 84 CO 0.23 -2.39 1.40 0.80 0.23 0.00 0.00 176.35 176.61 1j2o n MET 85 N 9.16 2.56 0.00 1.70 1.56 -1.26 -4.90 117.12 125.94 1j2o n MET 85 Ca 0.22 -3.58 0.00 0.00 -0.27 0.00 0.00 57.70 54.07 1j2o n MET 85 Cb 0.51 -2.02 0.00 0.00 2.15 0.00 0.00 33.22 33.86 1j2o n MET 85 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1j2o n GLY 86 N -0.95 3.01 0.00 -5.12 0.00 -1.26 -4.12 105.19 96.75 1j2o n GLY 86 Ca 0.39 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1j2o n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2o n GLY 87 N 0.00 0.59 3.31 -0.02 0.00 -1.26 -4.98 105.19 102.83 1j2o n GLY 87 Ca 0.00 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 1j2o n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j2o n GLU 88 N 0.00 -1.76 0.00 1.61 1.02 -1.26 -2.27 120.64 117.99 1j2o n GLU 88 Ca 0.00 1.30 0.00 0.00 -0.02 0.00 0.00 57.16 58.44 1j2o n GLU 88 Cb 0.00 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 1j2o n GLU 88 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1j2o n PHE 89 N -0.15 0.00 0.00 -0.32 3.72 -1.26 0.69 117.46 120.13 1j2o n PHE 89 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1j2o n PHE 89 Cb 0.63 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 1j2o n PHE 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j2o n GLY 90 N 5.00 0.53 0.00 1.37 0.00 -1.26 -4.55 105.19 106.27 1j2o n GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j2o n GLY 90 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j2o n ASP 91 N -0.48 0.00 0.00 1.61 5.68 -1.26 -3.27 116.55 118.83 1j2o n ASP 91 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1j2o n ASP 91 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1j2o n ASP 91 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1j2o n GLU 92 N 0.00 0.00 0.01 0.11 1.02 -1.26 -4.67 120.64 115.84 1j2o n GLU 92 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 1j2o n GLU 92 Cb 0.00 -3.85 0.12 0.00 -0.02 0.00 0.00 31.44 27.69 1j2o n GLU 92 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1j2o n ASP 93 N 0.00 0.64 -4.61 1.62 2.03 -1.26 -4.95 116.55 110.02 1j2o n ASP 93 Ca 0.00 -0.39 -0.42 0.00 0.52 0.00 0.00 54.79 54.49 1j2o n ASP 93 Cb 0.00 0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1j2o n ASP 93 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1j2o n GLU 94 N -1.61 1.44 0.00 -0.67 0.00 -1.26 -4.94 120.64 113.59 1j2o n GLU 94 Ca 0.04 0.51 0.00 0.00 0.00 0.00 0.00 57.16 57.71 1j2o n GLU 94 Cb 0.36 -2.01 0.00 0.00 0.00 0.00 0.00 31.44 29.79 1j2o n GLU 94 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1j2o n ARG 95 N 0.39 0.00 -3.72 3.44 0.63 -1.16 -4.56 116.66 111.69 1j2o n ARG 95 Ca 0.09 0.25 -0.29 0.00 -0.92 0.00 0.00 57.85 56.98 1j2o n ARG 95 Cb 0.37 -1.13 -0.12 0.00 0.45 0.00 0.00 32.46 32.02 1j2o n ARG 95 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1j2o s LEU 96 N -2.10 3.09 -0.25 6.15 1.43 -1.26 -5.05 118.68 120.69 1j2o s LEU 96 Ca 0.00 -3.03 -0.12 0.00 -1.03 0.00 0.00 54.13 49.95 1j2o s LEU 96 Cb 0.00 -1.11 0.09 0.00 0.03 0.00 0.00 46.19 45.20 1j2o s LEU 96 CO 0.00 -0.20 0.59 0.27 0.23 0.00 0.00 176.35 177.24 1j2o s ILE 97 N -0.19 -0.36 -0.07 -0.59 -4.36 -1.26 -0.76 121.20 113.61 1j2o s ILE 97 Ca 0.22 0.04 0.02 0.00 -0.26 0.00 0.00 60.65 60.67 1j2o s ILE 97 Cb -0.14 -0.88 -0.02 0.00 1.25 0.00 0.00 42.46 42.66 1j2o s ILE 97 CO -0.08 0.02 -0.12 0.42 0.24 0.00 0.00 174.94 175.42 1j2o s THR 98 N 2.07 3.20 -0.83 8.37 -4.23 -1.23 -4.95 115.64 118.04 1j2o s THR 98 Ca -0.08 -0.66 -0.25 0.00 -1.18 0.00 0.00 61.69 59.52 1j2o s THR 98 Cb -0.08 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.46 1j2o s THR 98 CO -0.17 0.58 1.79 -0.13 -0.54 0.00 0.00 174.62 176.14 1j2o s ARG 99 N -0.55 2.79 0.50 3.99 1.81 -1.26 -2.96 118.95 123.27 1j2o s ARG 99 Ca 0.08 -0.17 0.08 0.00 -1.72 0.00 0.00 55.73 54.00 1j2o s ARG 99 Cb -0.12 -4.85 0.04 0.00 -0.45 0.00 0.00 34.95 29.57 1j2o s ARG 99 CO 0.02 -2.91 0.59 -1.17 -0.68 0.00 0.00 175.30 171.14 1j2o s LEU 100 N 8.63 3.21 -0.14 2.53 2.96 0.95 -4.92 118.68 131.90 1j2o s LEU 100 Ca 0.62 -0.81 -0.18 0.00 -0.22 0.00 0.00 54.13 53.54 1j2o s LEU 100 Cb -0.07 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1j2o s LEU 100 CO 0.05 -1.03 0.50 -1.61 -1.32 0.00 0.00 176.35 172.94 1j2o s GLU 101 N -4.42 4.31 0.00 1.98 2.02 -1.26 -1.58 118.70 119.75 1j2o s GLU 101 Ca 0.52 0.46 -0.00 0.00 0.02 0.00 0.00 54.97 55.97 1j2o s GLU 101 Cb -0.05 -3.47 -0.00 0.00 0.10 0.00 0.00 34.13 30.70 1j2o s GLU 101 CO 0.32 0.07 1.00 -0.97 0.02 0.00 0.00 175.26 175.71 1j2o h ASN 102 N 6.92 -0.01 0.00 -0.19 -1.24 -1.85 -3.47 115.58 115.74 1j2o h ASN 102 Ca -0.39 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.62 1j2o h ASN 102 Cb 1.17 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.23 1j2o h ASN 102 CO 0.75 -0.00 0.00 0.41 -1.29 0.00 0.00 177.43 177.30 1j2o n THR 103 N -2.61 0.00 -2.65 -3.57 -1.04 -1.26 -5.02 114.28 98.13 1j2o n THR 103 Ca -0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1j2o n THR 103 Cb 0.00 -0.02 0.03 0.00 -1.82 0.00 0.00 70.33 68.52 1j2o n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j2o n GLN 104 N -0.23 1.87 -1.33 -2.82 6.02 -1.26 -4.95 117.38 114.66 1j2o n GLN 104 Ca 0.00 -3.58 -0.38 0.00 -0.01 0.00 0.00 57.00 53.04 1j2o n GLN 104 Cb 0.00 -1.60 -0.02 0.00 1.02 0.00 0.00 30.24 29.64 1j2o n GLN 104 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1j2o n PHE 105 N -0.39 2.53 0.19 1.08 -0.00 -1.26 -4.59 117.46 115.02 1j2o n PHE 105 Ca 0.15 -2.64 -0.08 0.00 -0.00 0.00 0.00 57.45 54.87 1j2o n PHE 105 Cb 0.81 -2.24 -0.04 0.00 -0.00 0.00 0.00 39.48 38.01 1j2o n PHE 105 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1j2o h ASP 106 N 6.07 -0.46 0.00 -2.13 3.58 -1.88 -3.46 116.42 118.15 1j2o h ASP 106 Ca 0.63 0.02 0.00 0.00 0.42 0.00 0.00 57.03 58.09 1j2o h ASP 106 Cb 0.45 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1j2o h ASP 106 CO 1.80 -0.08 -0.36 0.00 -2.88 0.00 0.00 179.24 177.71 1j2o n ALA 107 N -2.65 3.00 -2.81 -0.78 0.00 -1.22 -5.08 120.51 110.97 1j2o n ALA 107 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 1j2o n ALA 107 Cb 0.21 0.20 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 1j2o n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j2o s ALA 108 N -2.00 3.68 -0.31 0.00 0.00 -0.60 -4.94 121.76 117.58 1j2o s ALA 108 Ca 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 1j2o s ALA 108 Cb 0.00 -1.59 0.08 0.00 0.00 0.00 0.00 23.12 21.61 1j2o s ALA 108 CO 0.00 0.74 2.51 -1.71 0.00 0.00 0.00 175.76 177.30 1j2o n ASN 109 N 0.74 6.26 0.00 0.00 5.15 -1.26 -4.37 115.26 121.77 1j2o n ASN 109 Ca -0.10 -3.01 0.00 0.00 -0.60 0.00 0.00 54.58 50.87 1j2o n ASN 109 Cb 0.52 -1.17 0.00 0.00 -0.53 0.00 0.00 39.78 38.59 1j2o n ASN 109 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j2o n GLY 110 N 0.88 0.71 0.00 8.20 0.00 -1.26 -5.05 105.19 108.67 1j2o n GLY 110 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1j2o n GLY 110 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1j2o n ILE 111 N 0.00 0.00 -3.47 -0.61 5.41 -1.26 -4.80 119.36 114.63 1j2o n ILE 111 Ca 0.00 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.37 1j2o n ILE 111 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 38.89 1j2o n ILE 111 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1j2o n ASP 112 N 0.00 4.75 -4.52 4.38 2.03 -1.26 -4.55 116.55 117.39 1j2o n ASP 112 Ca 0.00 -3.18 -0.29 0.00 0.52 0.00 0.00 54.79 51.84 1j2o n ASP 112 Cb 0.00 -1.12 -0.11 0.00 -0.72 0.00 0.00 41.12 39.18 1j2o n ASP 112 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1j2o s ASP 113 N -0.30 4.03 0.00 1.67 -1.08 -1.26 -5.07 116.67 114.65 1j2o s ASP 113 Ca 0.30 -0.54 0.01 0.00 -0.52 0.00 0.00 52.55 51.80 1j2o s ASP 113 Cb -0.04 -0.62 0.01 0.00 -1.46 0.00 0.00 42.92 40.81 1j2o s ASP 113 CO -0.08 0.17 0.54 1.21 0.52 0.00 0.00 175.17 177.53