#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2o h SER 2 N 0.00 0.81 0.00 1.61 0.02 -1.99 -3.46 113.55 110.54 1j2o h SER 2 Ca 0.00 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1j2o h SER 2 Cb 0.00 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.30 1j2o h SER 2 CO 0.00 1.31 0.00 0.18 -1.14 0.00 0.00 176.83 177.18 1j2o n LEU 3 N -3.91 0.00 -4.72 5.07 4.32 -1.26 -5.10 117.00 111.39 1j2o n LEU 3 Ca -0.06 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.63 1j2o n LEU 3 Cb 0.73 0.00 0.13 0.00 -1.62 0.00 0.00 43.42 42.66 1j2o n LEU 3 CO 0.51 0.00 0.67 -0.76 -1.22 0.00 0.00 177.39 176.60 1j2o s LEU 4 N 0.00 2.44 -0.07 2.23 2.01 -1.26 -4.84 118.68 119.19 1j2o s LEU 4 Ca 0.00 1.60 0.05 0.00 0.01 0.00 0.00 54.13 55.79 1j2o s LEU 4 Cb 0.00 -4.08 -0.00 0.00 0.01 0.00 0.00 46.19 42.12 1j2o s LEU 4 CO 0.00 -2.55 -0.21 0.42 1.01 0.00 0.00 176.35 175.02 1j2o s THR 5 N -2.90 1.80 -0.00 5.49 -4.23 -1.26 0.12 115.64 114.65 1j2o s THR 5 Ca 0.63 -0.90 -0.22 0.00 -1.18 0.00 0.00 61.69 60.02 1j2o s THR 5 Cb -0.18 -1.55 -0.05 0.00 1.34 0.00 0.00 72.50 72.06 1j2o s THR 5 CO 0.57 0.50 0.65 0.00 -0.54 0.00 0.00 174.62 175.81 1j2o n GLY 7 N 2.55 -1.02 0.07 0.00 0.00 0.33 -0.45 105.19 106.68 1j2o n GLY 7 Ca -0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1j2o n GLY 7 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1j2o h GLY 8 N 3.92 0.00 0.00 -0.02 0.00 -1.85 -3.35 103.07 101.78 1j2o h GLY 8 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1j2o h GLY 8 CO 0.00 0.00 -1.72 0.00 0.00 0.00 0.00 176.54 174.82 1j2o n GLN 10 N -2.26 -1.02 -0.25 0.00 1.13 0.41 -4.87 117.38 110.52 1j2o n GLN 10 Ca -0.13 0.96 0.07 0.00 -1.94 0.00 0.00 57.00 55.96 1j2o n GLN 10 Cb 0.69 -5.10 0.20 0.00 0.11 0.00 0.00 30.24 26.14 1j2o n GLN 10 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j2o n GLN 11 N -2.55 2.15 -0.47 -1.09 10.64 -1.26 -4.84 117.38 119.95 1j2o n GLN 11 Ca -0.15 -1.62 0.00 0.00 -1.83 0.00 0.00 57.00 53.41 1j2o n GLN 11 Cb 0.49 -1.40 0.00 0.00 -0.86 0.00 0.00 30.24 28.47 1j2o n GLN 11 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1j2o n ASN 12 N 0.75 -3.17 -4.48 2.61 5.15 -1.26 -4.90 115.26 109.95 1j2o n ASN 12 Ca 0.15 0.39 -0.43 0.00 -0.60 0.00 0.00 54.58 54.09 1j2o n ASN 12 Cb 0.41 -0.74 -0.09 0.00 -0.53 0.00 0.00 39.78 38.84 1j2o n ASN 12 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1j2o s ILE 13 N -2.68 5.12 -0.15 -1.44 1.01 0.12 -4.77 121.20 118.41 1j2o s ILE 13 Ca 0.00 -0.38 0.16 0.00 0.00 0.00 0.00 60.65 60.43 1j2o s ILE 13 Cb 0.00 -4.01 0.30 0.00 0.01 0.00 0.00 42.46 38.76 1j2o s ILE 13 CO 0.00 -0.39 1.19 0.61 0.00 0.00 0.00 174.94 176.34 1j2o n GLY 14 N 5.11 4.46 1.09 6.18 0.00 -1.26 -4.07 105.19 116.70 1j2o n GLY 14 Ca -0.08 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.11 -0.37 -0.05 1.61 8.00 -1.26 -4.88 116.55 118.49 1j2o n ASP 15 Ca 0.15 -1.01 0.02 0.00 0.71 0.00 0.00 54.79 54.67 1j2o n ASP 15 Cb 0.64 -0.29 -0.16 0.00 -0.02 0.00 0.00 41.12 41.28 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 -2.01 0.67 -3.88 -1.24 1.85 -1.26 -2.54 116.66 108.25 1j2o n ARG 16 Ca 0.05 -0.12 -0.11 0.00 -1.00 0.00 0.00 57.85 56.67 1j2o n ARG 16 Cb 0.17 -1.52 -0.13 0.00 -1.05 0.00 0.00 32.46 29.93 1j2o n ARG 16 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 1j2o s TYR 17 N -3.08 0.02 0.06 2.89 5.04 -1.26 -0.88 117.35 120.14 1j2o s TYR 17 Ca -0.09 -0.03 -0.02 0.00 -2.44 0.00 0.00 57.07 54.49 1j2o s TYR 17 Cb 0.11 -0.03 0.01 0.00 0.35 0.00 0.00 41.96 42.40 1j2o s TYR 17 CO 0.88 -0.08 0.12 1.97 -1.34 0.00 0.00 175.55 177.10 1j2o n PHE 18 N 2.65 -1.19 -4.88 4.97 -1.74 1.00 -4.59 117.46 113.67 1j2o n PHE 18 Ca -0.15 -0.29 -0.26 0.00 -0.56 0.00 0.00 57.45 56.19 1j2o n PHE 18 Cb 0.58 0.14 -0.15 0.00 1.52 0.00 0.00 39.48 41.58 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 2.06 -0.28 5.98 1.43 -1.25 -0.15 118.68 126.47 1j2o s LEU 19 Ca 0.03 -0.38 -0.21 0.00 -1.03 0.00 0.00 54.13 52.54 1j2o s LEU 19 Cb -0.01 -0.98 0.08 0.00 0.03 0.00 0.00 46.19 45.32 1j2o s LEU 19 CO 0.02 0.22 0.76 -0.75 0.23 0.00 0.00 176.35 176.82 1j2o s LYS 20 N -0.59 0.72 0.00 1.70 2.36 -1.26 0.18 119.74 122.86 1j2o s LYS 20 Ca 0.07 1.03 0.00 0.00 -2.55 0.00 0.00 55.97 54.52 1j2o s LYS 20 Cb -0.08 0.26 0.00 0.00 -1.05 0.00 0.00 37.83 36.96 1j2o s LYS 20 CO -0.00 -0.12 0.00 0.00 1.55 0.00 0.00 175.35 176.78 1j2o n ALA 21 N 3.38 0.00 -0.25 3.13 0.00 -1.20 -4.41 120.51 121.15 1j2o n ALA 21 Ca -0.17 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.33 1j2o n ALA 21 Cb 0.57 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.20 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 0.41 0.00 0.00 2.04 -1.95 -3.42 117.51 114.59 1j2o h ILE 22 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1j2o h ILE 22 Cb 0.00 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1j2o h ILE 22 CO 0.00 0.03 0.00 -0.67 0.00 0.00 0.00 178.15 177.51 1j2o n ASP 23 N -5.26 0.00 -2.63 1.72 2.03 -1.26 -5.09 116.55 106.06 1j2o n ASP 23 Ca 0.14 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.34 1j2o n ASP 23 Cb 0.49 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.86 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 0.60 -2.97 -0.67 0.00 -1.26 -5.16 117.38 107.92 1j2o n GLN 24 Ca 0.00 -2.27 -0.30 0.00 0.00 0.00 0.00 57.00 54.43 1j2o n GLN 24 Cb 0.00 2.22 -0.03 0.00 0.00 0.00 0.00 30.24 32.43 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 -3.30 3.48 0.00 2.61 2.02 -1.26 -3.25 117.35 117.65 1j2o s TYR 25 Ca 0.23 0.92 0.00 0.00 -0.37 0.00 0.00 57.07 57.86 1j2o s TYR 25 Cb -0.01 -2.34 0.00 0.00 -0.40 0.00 0.00 41.96 39.21 1j2o s TYR 25 CO 0.17 -0.05 0.00 0.91 -1.57 0.00 0.00 175.55 175.01 1j2o n TRP 26 N -1.27 0.00 -4.40 2.71 7.02 0.13 -0.51 117.44 121.11 1j2o n TRP 26 Ca 0.01 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.29 1j2o n TRP 26 Cb 0.54 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.33 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 -0.99 1.90 0.14 -5.99 3.76 -1.26 -3.95 115.29 108.89 1j2o s HIS 27 Ca 0.00 -0.62 -0.12 0.00 -0.15 0.00 0.00 55.06 54.18 1j2o s HIS 27 Cb 0.00 -0.99 -0.03 0.00 1.11 0.00 0.00 32.58 32.67 1j2o s HIS 27 CO 0.00 0.35 1.50 0.93 -0.85 0.00 0.00 174.74 176.67 1j2o h GLU 28 N 2.38 0.90 -0.00 1.40 5.08 -1.88 -3.25 114.58 119.21 1j2o h GLU 28 Ca -0.39 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.54 1j2o h GLU 28 Cb 1.23 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1j2o h GLU 28 CO 0.65 1.08 -0.69 -3.47 -1.00 0.00 0.00 179.01 175.58 1j2o n ASP 29 N -4.14 1.08 -0.03 1.42 -0.08 -1.26 -4.35 116.55 109.18 1j2o n ASP 29 Ca -0.02 -1.04 -0.16 0.00 -1.51 0.00 0.00 54.79 52.06 1j2o n ASP 29 Cb 0.48 0.85 -0.08 0.00 2.34 0.00 0.00 41.12 44.71 1j2o n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j2o s LEU 31 N -8.62 3.67 0.00 0.00 1.43 -1.23 -4.44 118.68 109.49 1j2o s LEU 31 Ca -0.13 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1j2o s LEU 31 Cb 0.06 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1j2o s LEU 31 CO 0.83 -1.25 0.00 -1.54 0.23 0.00 0.00 176.35 174.62 1j2o n SER 32 N 7.96 0.00 -4.52 2.29 3.41 -1.26 -4.97 113.62 116.53 1j2o n SER 32 Ca 0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.32 1j2o n SER 32 Cb 0.48 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.35 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 5.58 2.03 -0.03 0.00 2.03 -1.26 -2.60 116.55 122.30 1j2o n ASP 34 Ca -0.07 0.05 -0.11 0.00 0.52 0.00 0.00 54.79 55.17 1j2o n ASP 34 Cb 0.48 -0.63 -0.05 0.00 -0.72 0.00 0.00 41.12 40.20 1j2o n ASP 34 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1j2o h LEU 35 N -0.08 0.17 -0.55 -2.67 5.85 -1.86 -2.55 115.31 113.62 1j2o h LEU 35 Ca -0.52 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.01 1j2o h LEU 35 Cb 1.91 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 1j2o h LEU 35 CO -0.05 0.26 -0.25 0.00 -0.34 0.00 0.00 178.44 178.07 1j2o n GLY 37 N 0.69 -0.26 0.00 0.00 0.00 -0.96 -4.96 105.19 99.70 1j2o n GLY 37 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1j2o n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2o n ARG 39 N -1.69 0.80 0.00 0.00 0.63 -1.26 -4.94 116.66 110.20 1j2o n ARG 39 Ca 0.00 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1j2o n ARG 39 Cb 0.00 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 31.44 1j2o n ARG 39 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1j2o n LEU 40 N -2.93 0.00 -0.32 6.15 4.77 -1.20 -4.95 117.00 118.52 1j2o n LEU 40 Ca -0.36 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1j2o n LEU 40 Cb 1.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 1j2o n LEU 40 CO 0.32 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1j2o n GLY 41 N 3.92 0.50 3.34 -0.72 0.00 -1.25 -4.60 105.19 106.38 1j2o n GLY 41 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1j2o n GLY 41 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j2o n GLU 42 N -0.32 -1.50 -0.08 1.61 -0.58 -1.26 -4.88 120.64 113.62 1j2o n GLU 42 Ca 0.00 1.26 0.08 0.00 -0.42 0.00 0.00 57.16 58.08 1j2o n GLU 42 Cb 0.17 -4.31 0.31 0.00 -0.57 0.00 0.00 31.44 27.04 1j2o n GLU 42 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1j2o n VAL 43 N -1.93 0.21 0.00 2.62 0.24 -1.26 -4.71 118.33 113.50 1j2o n VAL 43 Ca -0.12 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1j2o n VAL 43 Cb 0.58 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 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 0.97 -0.16 0.00 7.63 0.00 -1.26 -4.64 105.19 107.73 1j2o n GLY 44 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1j2o n GLY 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1j2o n ARG 45 N 0.00 0.00 -1.97 1.61 0.63 -1.26 -4.97 116.66 110.69 1j2o n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1j2o n ARG 45 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1j2o n ARG 45 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1j2o n ARG 46 N 0.00 1.34 -3.16 -0.14 1.74 -1.26 -5.05 116.66 110.13 1j2o n ARG 46 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1j2o n ARG 46 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1j2o n ARG 46 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1j2o n LEU 47 N 0.00 0.00 -4.56 0.55 -0.00 -1.26 -4.85 117.00 106.89 1j2o n LEU 47 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.63 1j2o n LEU 47 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 1j2o n LEU 47 CO 0.00 0.00 1.41 -0.47 -0.00 0.00 0.00 177.39 178.33 1j2o s TYR 48 N -2.61 2.32 0.09 1.96 5.04 -1.26 -4.91 117.35 117.97 1j2o s TYR 48 Ca 0.00 -0.37 0.07 0.00 -2.44 0.00 0.00 57.07 54.32 1j2o s TYR 48 Cb 0.00 -4.54 -0.03 0.00 0.35 0.00 0.00 41.96 37.73 1j2o s TYR 48 CO 0.00 -1.95 -0.17 1.52 -1.34 0.00 0.00 175.55 173.61 1j2o s TYR 49 N 6.20 1.48 0.86 4.97 1.13 -1.26 -4.16 117.35 126.57 1j2o s TYR 49 Ca 0.49 -0.44 -0.12 0.00 -1.41 0.00 0.00 57.07 55.59 1j2o s TYR 49 Cb -0.03 -0.82 0.11 0.00 -1.10 0.00 0.00 41.96 40.12 1j2o s TYR 49 CO -0.03 0.13 1.16 0.15 -2.51 0.00 0.00 175.55 174.45 1j2o s LYS 50 N -1.81 1.55 0.06 -3.49 -0.14 0.15 -4.92 119.74 111.14 1j2o s LYS 50 Ca 0.02 0.18 -0.12 0.00 -1.36 0.00 0.00 55.97 54.69 1j2o s LYS 50 Cb -0.10 -1.90 -0.03 0.00 -1.68 0.00 0.00 37.83 34.13 1j2o s LYS 50 CO 0.03 -1.89 0.70 1.28 -0.76 0.00 0.00 175.35 174.70 1j2o n LEU 51 N -3.54 -0.41 -0.32 3.17 7.99 -1.26 -2.28 117.00 120.36 1j2o n LEU 51 Ca 0.07 0.79 0.04 0.00 -0.01 0.00 0.00 56.01 56.91 1j2o n LEU 51 Cb 0.60 -0.14 0.06 0.00 -0.11 0.00 0.00 43.42 43.83 1j2o n LEU 51 CO 0.57 -0.61 0.39 0.61 -1.51 0.00 0.00 177.39 176.83 1j2o n GLY 52 N -1.10 2.41 2.79 -0.72 0.00 -1.26 -5.01 105.19 102.30 1j2o n GLY 52 Ca 0.01 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.25 0.90 -0.44 1.61 0.52 -0.96 -5.10 118.95 114.23 1j2o s ARG 53 Ca 0.14 -0.48 -0.24 0.00 -0.52 0.00 0.00 55.73 54.63 1j2o s ARG 53 Cb 0.13 -2.08 0.02 0.00 0.52 0.00 0.00 34.95 33.54 1j2o s ARG 53 CO 0.01 -0.58 0.86 0.15 0.02 0.00 0.00 175.30 175.76 1j2o s LYS 54 N 1.77 3.54 0.20 3.54 1.02 -1.26 0.31 119.74 128.85 1j2o s LYS 54 Ca -0.01 0.12 -0.19 0.00 0.02 0.00 0.00 55.97 55.91 1j2o s LYS 54 Cb -0.17 -3.91 0.03 0.00 -0.52 0.00 0.00 37.83 33.27 1j2o s LYS 54 CO -0.07 -1.12 0.55 -0.48 -0.92 0.00 0.00 175.35 173.31 1j2o s LEU 55 N 3.48 -0.06 0.63 3.17 2.34 -1.26 -3.97 118.68 123.02 1j2o s LEU 55 Ca 0.34 -0.42 -0.15 0.00 0.06 0.00 0.00 54.13 53.96 1j2o s LEU 55 Cb -0.11 2.27 -0.01 0.00 -0.56 0.00 0.00 46.19 47.78 1j2o s LEU 55 CO 0.23 -1.07 1.10 0.00 -1.06 0.00 0.00 176.35 175.55 1j2o h ARG 57 N 0.22 -0.96 -0.36 0.00 9.65 -1.84 0.15 114.38 121.23 1j2o h ARG 57 Ca -0.47 0.07 -0.08 0.00 -1.10 0.00 0.00 59.98 58.39 1j2o h ARG 57 Cb 1.24 0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 30.02 1j2o h ARG 57 CO 0.55 -0.64 -0.12 0.00 2.80 0.00 0.00 179.97 182.56 1j2o h ARG 58 N -1.13 0.63 -0.03 0.20 -0.00 -1.94 -2.14 114.38 109.97 1j2o h ARG 58 Ca -0.10 -0.19 -0.15 0.00 -0.50 0.00 0.00 59.98 59.03 1j2o h ARG 58 Cb 0.76 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.66 1j2o h ARG 58 CO 0.17 0.73 -0.69 -0.44 0.00 0.00 0.00 179.97 179.74 1j2o h ASP 59 N 0.57 0.17 -0.50 7.04 5.19 -1.96 -1.99 116.42 124.94 1j2o h ASP 59 Ca 0.10 -0.11 -0.11 0.00 -0.62 0.00 0.00 57.03 56.30 1j2o h ASP 59 Cb 0.54 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 1j2o h ASP 59 CO 0.03 0.80 -0.11 0.22 -3.12 0.00 0.00 179.24 177.06 1j2o h TYR 60 N 0.10 1.07 0.00 4.55 3.20 -0.46 -2.67 116.97 122.76 1j2o h TYR 60 Ca -0.01 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.63 1j2o h TYR 60 Cb 1.22 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.23 1j2o h TYR 60 CO 0.01 1.02 0.00 -0.07 -1.64 0.00 0.00 178.16 177.49 1j2o h LEU 61 N 0.81 0.00 -0.90 2.82 3.38 -1.08 0.20 115.31 120.54 1j2o h LEU 61 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1j2o h LEU 61 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1j2o h LEU 61 CO 0.05 0.00 -0.15 0.03 0.09 0.00 0.00 178.44 178.46 1j2o h ARG 62 N 0.00 0.00 0.00 1.13 2.47 -1.00 -3.25 114.38 113.73 1j2o h ARG 62 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1j2o h ARG 62 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1j2o h ARG 62 CO 0.00 0.15 -0.96 1.47 0.56 0.00 0.00 179.97 181.20 1j2o n LEU 63 N -3.24 0.23 -1.65 3.04 -0.00 -0.94 -4.91 117.00 109.54 1j2o n LEU 63 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.02 1j2o n LEU 63 Cb 0.44 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.94 1j2o n LEU 63 CO 0.32 0.02 0.13 0.61 -0.00 0.00 0.00 177.39 178.48 1j2o n GLY 64 N 2.97 2.90 0.00 1.47 0.00 0.66 -4.93 105.19 108.26 1j2o n GLY 64 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1j2o n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2o n GLY 65 N -0.30 1.11 0.00 -0.02 0.00 -0.90 -4.82 105.19 100.26 1j2o n GLY 65 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1j2o n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j2o n SER 66 N -0.31 0.00 -0.19 1.61 3.41 -1.26 -4.99 113.62 111.89 1j2o n SER 66 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 1j2o n SER 66 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1j2o n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j2o n GLY 67 N 5.00 -0.71 7.00 5.00 0.00 -1.26 -5.08 105.19 115.15 1j2o n GLY 67 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.43 2.83 6.91 -0.02 0.00 -1.26 -4.91 105.19 109.16 1j2o n GLY 68 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1j2o n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1j2o n HIS 69 N 12.51 0.00 0.16 1.61 8.25 -1.26 -0.75 115.22 135.74 1j2o n HIS 69 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 1j2o n HIS 69 Cb 0.00 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.18 1j2o n HIS 69 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1j2o h MET 70 N 0.00 0.00 -1.65 -0.41 2.86 -2.00 -3.49 114.93 110.24 1j2o h MET 70 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1j2o h MET 70 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1j2o h MET 70 CO 0.00 0.11 0.00 0.41 1.06 0.00 0.00 176.91 178.49 1j2o n GLY 71 N 1.17 -1.57 2.99 8.32 0.00 0.07 -4.91 105.19 111.26 1j2o n GLY 71 Ca 0.01 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 1j2o n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j2o s SER 72 N 0.00 1.89 0.00 1.61 0.01 -1.26 -3.11 113.70 112.84 1j2o s SER 72 Ca 0.00 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1j2o s SER 72 Cb 0.00 -0.83 0.00 0.00 0.21 0.00 0.00 66.02 65.40 1j2o s SER 72 CO 0.00 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1j2o n GLY 73 N 4.18 -0.72 0.00 3.44 0.00 0.57 -4.70 105.19 107.96 1j2o n GLY 73 Ca -0.20 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.13 1.78 3.06 -0.02 0.00 -1.25 -1.78 105.19 106.85 1j2o n GLY 74 Ca 0.00 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.77 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 0.00 -0.26 -0.39 1.61 2.15 -1.25 -1.85 116.67 116.68 1j2o s ASP 75 Ca 0.00 0.52 -0.23 0.00 0.43 0.00 0.00 52.55 53.27 1j2o s ASP 75 Cb 0.00 0.41 0.02 0.00 -0.30 0.00 0.00 42.92 43.04 1j2o s ASP 75 CO 0.00 -0.16 0.79 -0.69 -0.17 0.00 0.00 175.17 174.94 1j2o s VAL 76 N 1.20 4.69 0.71 1.11 1.01 0.70 -4.89 120.40 124.93 1j2o s VAL 76 Ca -0.09 0.75 -0.16 0.00 0.00 0.00 0.00 61.98 62.48 1j2o s VAL 76 Cb -0.10 -4.26 -0.00 0.00 0.00 0.00 0.00 36.38 32.02 1j2o s VAL 76 CO -0.08 -0.54 0.92 0.23 0.00 0.00 0.00 175.10 175.63 1j2o n MET 77 N 6.56 0.51 0.00 2.72 2.81 -1.26 -0.34 117.12 128.11 1j2o n MET 77 Ca 0.03 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 1j2o n MET 77 Cb 0.48 -2.18 0.00 0.00 -0.71 0.00 0.00 33.22 30.81 1j2o n MET 77 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1j2o n VAL 78 N -2.45 0.00 0.08 2.03 0.31 -1.26 -4.28 118.33 112.75 1j2o n VAL 78 Ca 0.13 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.33 1j2o n VAL 78 Cb 0.49 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.37 1j2o n VAL 78 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1j2o h VAL 79 N 0.00 1.43 -2.67 2.52 2.07 -2.00 -3.48 116.25 114.13 1j2o h VAL 79 Ca 0.00 -2.58 -0.07 0.00 0.82 0.00 0.00 66.70 64.87 1j2o h VAL 79 Cb 0.00 2.52 0.03 0.00 -1.52 0.00 0.00 31.29 32.32 1j2o h VAL 79 CO 0.00 0.76 -0.15 0.61 0.02 0.00 0.00 177.57 178.81 1j2o n GLY 80 N 1.04 0.31 3.30 2.17 0.00 0.53 -5.02 105.19 107.52 1j2o n GLY 80 Ca -0.07 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.37 2.67 0.22 1.61 2.02 -1.13 -4.88 118.70 114.84 1j2o s GLU 81 Ca 0.01 -1.33 -0.01 0.00 0.02 0.00 0.00 54.97 53.65 1j2o s GLU 81 Cb -0.00 -3.75 0.05 0.00 0.10 0.00 0.00 34.13 30.52 1j2o s GLU 81 CO 0.15 -0.87 0.29 -0.35 0.02 0.00 0.00 175.26 174.50 1j2o n PRO 82 N 4.94 0.18 -3.78 0.39 -0.04 -1.26 -0.21 135.00 135.22 1j2o n PRO 82 Ca -0.11 -0.67 -0.31 0.00 -0.04 0.00 0.00 63.50 62.37 1j2o n PRO 82 Cb 0.44 -0.24 0.02 0.00 -0.04 0.00 0.00 33.50 33.68 1j2o n PRO 82 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1j2o n THR 83 N -2.00 -4.61 -3.05 0.52 -1.04 -0.77 -4.89 114.28 98.44 1j2o n THR 83 Ca 0.04 -0.52 -0.34 0.00 -2.04 0.00 0.00 64.05 61.19 1j2o n THR 83 Cb 0.16 -3.57 -0.06 0.00 -1.82 0.00 0.00 70.33 65.03 1j2o n THR 83 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1j2o s LEU 84 N -6.12 4.18 0.33 -4.42 1.02 -0.73 -4.55 118.68 108.39 1j2o s LEU 84 Ca 0.30 1.43 0.26 0.00 0.02 0.00 0.00 54.13 56.15 1j2o s LEU 84 Cb -0.14 -3.95 1.06 0.00 0.02 0.00 0.00 46.19 43.18 1j2o s LEU 84 CO 0.90 -0.12 1.78 -0.03 0.02 0.00 0.00 176.35 178.89 1j2o h MET 85 N 2.73 0.00 0.00 1.70 4.05 -1.86 0.17 114.93 121.72 1j2o h MET 85 Ca -0.48 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 58.91 1j2o h MET 85 Cb 1.18 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.98 1j2o h MET 85 CO 0.65 0.00 -0.17 0.78 0.23 0.00 0.00 176.91 178.40 1j2o h GLY 86 N 2.33 0.00 0.00 1.39 0.00 -1.83 -3.44 103.07 101.53 1j2o h GLY 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1j2o h GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1j2o n GLY 87 N -0.84 0.53 3.42 4.60 0.00 -1.12 -4.95 105.19 106.84 1j2o n GLY 87 Ca -0.02 -0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.54 1j2o n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j2o s GLU 88 N -0.08 3.81 0.36 1.61 2.02 -1.25 -4.67 118.70 120.51 1j2o s GLU 88 Ca 0.00 -2.29 -0.26 0.00 0.02 0.00 0.00 54.97 52.43 1j2o s GLU 88 Cb 0.00 -4.83 -0.09 0.00 0.10 0.00 0.00 34.13 29.31 1j2o s GLU 88 CO 0.00 -1.62 1.11 -0.06 0.02 0.00 0.00 175.26 174.71 1j2o s PHE 89 N 1.45 3.29 0.00 1.61 0.08 -1.26 -3.77 117.98 119.38 1j2o s PHE 89 Ca 0.33 1.63 0.00 0.00 0.12 0.00 0.00 56.93 59.00 1j2o s PHE 89 Cb -0.06 -3.28 0.00 0.00 -0.57 0.00 0.00 43.02 39.11 1j2o s PHE 89 CO -0.07 -0.86 0.00 0.41 -0.10 0.00 0.00 175.22 174.60 1j2o n GLY 90 N 0.71 -0.07 0.00 4.36 0.00 -1.26 -4.82 105.19 104.11 1j2o n GLY 90 Ca 0.03 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 0.00 0.00 0.02 1.61 5.68 -1.26 -3.77 116.55 118.83 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 -1.01 0.11 1.02 -1.26 -4.88 120.64 114.61 1j2o n GLU 92 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1j2o n GLU 92 Cb 0.00 -0.38 0.01 0.00 -0.02 0.00 0.00 31.44 31.04 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 -3.03 0.48 -3.57 1.62 2.03 -1.26 -4.93 116.55 107.88 1j2o n ASP 93 Ca 0.00 -1.98 -0.24 0.00 0.52 0.00 0.00 54.79 53.10 1j2o n ASP 93 Cb 0.29 -0.23 0.08 0.00 -0.72 0.00 0.00 41.12 40.54 1j2o n ASP 93 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1j2o n GLU 94 N 0.25 -7.91 -3.58 -0.67 -0.58 -1.26 -4.95 120.64 101.94 1j2o n GLU 94 Ca 0.02 0.82 -0.09 0.00 -0.42 0.00 0.00 57.16 57.49 1j2o n GLU 94 Cb 0.92 -5.86 -0.02 0.00 -0.57 0.00 0.00 31.44 25.91 1j2o n GLU 94 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1j2o s ARG 95 N -6.28 1.34 -0.10 3.49 6.06 -1.26 -4.61 118.95 117.59 1j2o s ARG 95 Ca 0.57 -0.60 0.05 0.00 -2.50 0.00 0.00 55.73 53.25 1j2o s ARG 95 Cb -0.25 0.55 0.32 0.00 0.06 0.00 0.00 34.95 35.63 1j2o s ARG 95 CO 0.72 -0.60 1.00 1.47 -2.50 0.00 0.00 175.30 175.39 1j2o n LEU 96 N -0.39 2.90 -4.72 -0.88 -0.00 -1.26 -4.42 117.00 108.22 1j2o n LEU 96 Ca -0.11 -1.47 -0.24 0.00 -0.00 0.00 0.00 56.01 54.19 1j2o n LEU 96 Cb 0.63 -0.58 -0.07 0.00 -0.00 0.00 0.00 43.42 43.40 1j2o n LEU 96 CO 0.13 0.40 -0.20 -0.63 -0.00 0.00 0.00 177.39 177.09 1j2o s ILE 97 N -1.69 2.78 0.15 1.47 1.01 -1.26 -4.72 121.20 118.94 1j2o s ILE 97 Ca 0.22 -1.72 0.10 0.00 0.00 0.00 0.00 60.65 59.24 1j2o s ILE 97 Cb 0.16 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1j2o s ILE 97 CO 0.06 -0.14 -0.19 0.28 0.00 0.00 0.00 174.94 174.96 1j2o s THR 98 N -2.48 2.73 -0.49 2.92 -1.32 -1.26 -4.44 115.64 111.30 1j2o s THR 98 Ca 0.38 -1.71 -0.28 0.00 -1.21 0.00 0.00 61.69 58.87 1j2o s THR 98 Cb -0.01 -2.29 0.03 0.00 -1.51 0.00 0.00 72.50 68.72 1j2o s THR 98 CO 0.22 -0.01 1.09 -0.13 -2.21 0.00 0.00 174.62 173.59 1j2o s ARG 99 N -2.44 3.65 0.52 7.08 1.81 -1.26 -3.99 118.95 124.31 1j2o s ARG 99 Ca 0.20 0.42 0.06 0.00 -1.72 0.00 0.00 55.73 54.69 1j2o s ARG 99 Cb -0.09 -3.93 0.03 0.00 -0.45 0.00 0.00 34.95 30.50 1j2o s ARG 99 CO 0.11 -1.39 0.42 -1.17 -0.68 0.00 0.00 175.30 172.59 1j2o s LEU 100 N 4.36 2.89 -0.19 2.53 2.96 0.79 -4.93 118.68 127.08 1j2o s LEU 100 Ca 0.45 -1.11 -0.11 0.00 -0.22 0.00 0.00 54.13 53.14 1j2o s LEU 100 Cb -0.08 -1.40 -0.05 0.00 0.50 0.00 0.00 46.19 45.16 1j2o s LEU 100 CO 0.30 -1.01 0.16 -1.61 -1.32 0.00 0.00 176.35 172.87 1j2o s GLU 101 N -4.27 4.20 0.00 1.98 2.02 -1.26 -0.00 118.70 121.37 1j2o s GLU 101 Ca 0.40 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.23 1j2o s GLU 101 Cb -0.02 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.78 1j2o s GLU 101 CO 0.24 0.28 0.02 -1.71 0.02 0.00 0.00 175.26 174.11 1j2o n ASN 102 N 3.55 0.00 0.00 -0.19 5.15 -0.06 -4.83 115.26 118.88 1j2o n ASN 102 Ca -0.15 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 1j2o n ASN 102 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 1j2o n ASN 102 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1j2o n THR 103 N -0.11 0.00 0.05 -0.44 -1.04 -1.05 -5.00 114.28 106.69 1j2o n THR 103 Ca 0.00 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1j2o n THR 103 Cb 0.00 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 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 -0.44 0.00 -3.56 -2.82 10.64 -1.26 -5.07 117.38 114.86 1j2o n GLN 104 Ca 0.00 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.19 1j2o n GLN 104 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 1j2o n GLN 104 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 1j2o s PHE 105 N -1.23 -0.16 0.22 2.61 5.36 -1.26 -4.89 117.98 118.63 1j2o s PHE 105 Ca 0.00 0.31 -0.09 0.00 -0.96 0.00 0.00 56.93 56.19 1j2o s PHE 105 Cb 0.00 0.10 0.20 0.00 -0.34 0.00 0.00 43.02 42.98 1j2o s PHE 105 CO 0.00 -0.08 1.88 0.22 -1.46 0.00 0.00 175.22 175.78 1j2o h ASP 106 N 5.66 0.88 -1.56 6.13 1.82 -1.94 -2.05 116.42 125.36 1j2o h ASP 106 Ca -0.24 -0.01 -0.75 0.00 -0.39 0.00 0.00 57.03 55.64 1j2o h ASP 106 Cb 1.15 -0.21 -0.19 0.00 0.68 0.00 0.00 39.33 40.77 1j2o h ASP 106 CO 0.20 0.62 1.70 0.00 -1.61 0.00 0.00 179.24 180.15 1j2o n ALA 107 N -2.33 6.52 0.42 -0.78 0.00 -1.26 -4.65 120.51 118.42 1j2o n ALA 107 Ca 0.09 -4.17 0.12 0.00 0.00 0.00 0.00 53.44 49.48 1j2o n ALA 107 Cb 0.05 -2.48 0.49 0.00 0.00 0.00 0.00 19.45 17.52 1j2o n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j2o h ALA 108 N 4.24 1.00 -0.36 0.00 0.00 -1.68 -2.96 119.26 119.49 1j2o h ALA 108 Ca 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.46 1j2o h ALA 108 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1j2o h ALA 108 CO 1.32 0.00 -0.04 -0.97 0.00 0.00 0.00 179.25 179.56 1j2o h ASN 109 N 0.00 0.56 0.00 0.00 -1.24 -1.87 -3.44 115.58 109.59 1j2o h ASN 109 Ca 0.00 -0.13 0.00 0.00 0.71 0.00 0.00 56.30 56.88 1j2o h ASN 109 Cb 0.43 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.33 1j2o h ASN 109 CO 0.00 0.66 0.00 0.61 -1.29 0.00 0.00 177.43 177.41 1j2o n GLY 110 N -0.73 2.05 0.06 1.57 0.00 -1.12 -5.07 105.19 101.95 1j2o n GLY 110 Ca 0.01 -1.85 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 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 0.72 -3.98 -0.61 5.41 -1.26 -5.02 119.36 114.63 1j2o n ILE 111 Ca 0.00 -0.30 -0.22 0.00 1.00 0.00 0.00 62.75 63.23 1j2o n ILE 111 Cb 0.00 -0.92 -0.04 0.00 -0.71 0.00 0.00 39.64 37.97 1j2o n ILE 111 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1j2o s ASP 112 N -5.09 5.41 -0.71 4.38 2.15 -1.26 -5.02 116.67 116.54 1j2o s ASP 112 Ca -0.15 -0.36 -0.24 0.00 0.43 0.00 0.00 52.55 52.22 1j2o s ASP 112 Cb 0.04 -1.21 0.06 0.00 -0.30 0.00 0.00 42.92 41.51 1j2o s ASP 112 CO 0.31 -0.18 1.09 -0.62 -0.17 0.00 0.00 175.17 175.61 1j2o s ASP 113 N -3.91 6.19 0.00 -0.34 -1.08 -1.26 -4.74 116.67 111.53 1j2o s ASP 113 Ca 0.36 -0.85 0.00 0.00 -0.52 0.00 0.00 52.55 51.54 1j2o s ASP 113 Cb -0.07 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1j2o s ASP 113 CO 0.26 -1.57 0.40 1.21 0.52 0.00 0.00 175.17 175.98