#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2o s SER 2 N 0.00 6.82 0.96 1.61 0.01 -1.26 -5.00 113.70 116.85 1j2o s SER 2 Ca 0.00 1.94 -0.13 0.00 1.31 0.00 0.00 55.95 59.07 1j2o s SER 2 Cb 0.00 -2.54 0.17 0.00 0.21 0.00 0.00 66.02 63.86 1j2o s SER 2 CO 0.00 -0.83 1.12 -0.76 0.41 0.00 0.00 173.24 173.18 1j2o s LEU 3 N 3.71 1.78 0.29 2.44 1.43 -1.26 -5.08 118.68 121.99 1j2o s LEU 3 Ca 0.63 1.02 0.09 0.00 -1.03 0.00 0.00 54.13 54.84 1j2o s LEU 3 Cb -0.27 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 1j2o s LEU 3 CO 0.21 -2.87 0.07 -0.76 0.23 0.00 0.00 176.35 173.24 1j2o s LEU 4 N -6.25 3.30 -0.03 1.79 1.43 -1.25 -4.99 118.68 112.69 1j2o s LEU 4 Ca 0.65 -0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1j2o s LEU 4 Cb -0.16 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1j2o s LEU 4 CO 0.55 -0.10 0.05 0.42 0.23 0.00 0.00 176.35 177.51 1j2o s THR 5 N -2.33 -0.03 0.60 5.49 -4.23 -1.26 0.56 115.64 114.43 1j2o s THR 5 Ca 0.34 0.12 -0.07 0.00 -1.18 0.00 0.00 61.69 60.90 1j2o s THR 5 Cb -0.05 -0.10 0.00 0.00 1.34 0.00 0.00 72.50 73.69 1j2o s THR 5 CO 0.21 0.05 0.92 0.00 -0.54 0.00 0.00 174.62 175.27 1j2o n GLY 7 N -2.62 0.11 0.11 0.00 0.00 -0.72 -2.03 105.19 100.04 1j2o n GLY 7 Ca 0.05 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 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 1.28 -0.74 0.06 -0.02 0.00 -1.26 -4.73 105.19 99.78 1j2o n GLY 8 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.58 -0.79 0.01 0.00 0.00 -0.86 -4.94 117.38 108.21 1j2o n GLN 10 Ca -0.21 0.85 -0.09 0.00 -0.00 0.00 0.00 57.00 57.56 1j2o n GLN 10 Cb 0.83 -4.84 -0.07 0.00 0.00 0.00 0.00 30.24 26.16 1j2o n GLN 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.06 176.50 1j2o h GLN 11 N 0.00 -0.13 0.00 3.69 -0.00 -1.94 -3.43 115.11 113.31 1j2o h GLN 11 Ca -0.23 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.42 1j2o h GLN 11 Cb 0.79 0.03 0.00 0.00 -0.00 0.00 0.00 27.48 28.30 1j2o h GLN 11 CO 0.33 0.32 0.00 -1.71 -0.00 0.00 0.00 178.83 177.77 1j2o n ASN 12 N -4.83 0.00 -4.34 0.06 5.15 -1.26 -4.94 115.26 105.10 1j2o n ASN 12 Ca -0.06 0.00 -0.45 0.00 -0.60 0.00 0.00 54.58 53.46 1j2o n ASN 12 Cb 0.25 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.44 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 0.00 5.16 -0.33 -1.44 1.01 0.19 -4.85 121.20 120.94 1j2o s ILE 13 Ca 0.00 -1.31 0.14 0.00 0.00 0.00 0.00 60.65 59.48 1j2o s ILE 13 Cb 0.00 -4.31 0.36 0.00 0.01 0.00 0.00 42.46 38.52 1j2o s ILE 13 CO 0.00 -0.83 1.27 0.61 0.00 0.00 0.00 174.94 175.99 1j2o n GLY 14 N 5.24 3.76 3.87 6.18 0.00 -1.26 -3.81 105.19 119.16 1j2o n GLY 14 Ca -0.13 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 1j2o n GLY 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j2o s ASP 15 N -1.77 5.05 0.04 1.61 1.01 -1.26 -5.00 116.67 116.35 1j2o s ASP 15 Ca 0.30 1.10 0.08 0.00 0.71 0.00 0.00 52.55 54.74 1j2o s ASP 15 Cb 0.23 -1.83 -0.23 0.00 1.01 0.00 0.00 42.92 42.11 1j2o s ASP 15 CO 0.08 -1.59 0.96 0.08 0.21 0.00 0.00 175.17 174.91 1j2o h ARG 16 N -0.83 0.04 -6.06 8.23 0.11 -1.95 -3.43 114.38 110.49 1j2o h ARG 16 Ca -0.46 -0.06 -0.65 0.00 0.10 0.00 0.00 59.98 58.92 1j2o h ARG 16 Cb 1.27 0.02 -0.30 0.00 1.11 0.00 0.00 29.97 32.07 1j2o h ARG 16 CO 0.63 0.81 -0.87 -0.47 0.10 0.00 0.00 179.97 180.17 1j2o s TYR 17 N -2.65 2.11 0.11 4.08 5.04 -1.26 -0.38 117.35 124.40 1j2o s TYR 17 Ca -0.03 -0.50 -0.01 0.00 -2.44 0.00 0.00 57.07 54.09 1j2o s TYR 17 Cb 0.09 -1.38 0.01 0.00 0.35 0.00 0.00 41.96 41.03 1j2o s TYR 17 CO 0.83 -0.11 0.16 1.97 -1.34 0.00 0.00 175.55 177.06 1j2o n PHE 18 N 2.73 -0.86 -4.55 4.97 -1.74 -0.52 -4.83 117.46 112.67 1j2o n PHE 18 Ca -0.16 -0.67 -0.27 0.00 -0.56 0.00 0.00 57.45 55.78 1j2o n PHE 18 Cb 0.52 0.18 -0.17 0.00 1.52 0.00 0.00 39.48 41.54 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 1.68 -0.18 5.98 1.43 -1.26 0.37 118.68 126.71 1j2o s LEU 19 Ca 0.08 -0.37 -0.28 0.00 -1.03 0.00 0.00 54.13 52.53 1j2o s LEU 19 Cb -0.01 -0.99 0.09 0.00 0.03 0.00 0.00 46.19 45.31 1j2o s LEU 19 CO 0.06 0.03 0.79 -0.75 0.23 0.00 0.00 176.35 176.70 1j2o s LYS 20 N 0.84 0.83 0.01 1.70 2.36 -0.95 0.37 119.74 124.89 1j2o s LYS 20 Ca -0.10 0.58 0.00 0.00 -2.55 0.00 0.00 55.97 53.89 1j2o s LYS 20 Cb -0.15 0.40 0.00 0.00 -1.05 0.00 0.00 37.83 37.02 1j2o s LYS 20 CO 0.01 -0.18 0.00 0.00 1.55 0.00 0.00 175.35 176.73 1j2o n ALA 21 N 1.76 0.00 -0.18 3.13 0.00 -1.21 -3.58 120.51 120.44 1j2o n ALA 21 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.17 1j2o n ALA 21 Cb 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 0.00 0.00 2.04 -1.96 -3.43 117.51 114.17 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 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 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 -5.10 0.00 -3.51 1.72 2.03 -1.26 -5.02 116.55 105.41 1j2o n ASP 23 Ca -0.02 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.19 1j2o n ASP 23 Cb 0.29 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.67 1j2o n ASP 23 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1j2o s GLN 24 N 0.00 1.22 -0.02 -0.67 -0.21 -1.26 -5.15 119.66 113.57 1j2o s GLN 24 Ca 0.00 -0.50 -0.05 0.00 0.02 0.00 0.00 55.36 54.84 1j2o s GLN 24 Cb 0.00 0.53 -0.04 0.00 1.00 0.00 0.00 33.01 34.50 1j2o s GLN 24 CO 0.00 -0.54 0.21 0.71 -2.12 0.00 0.00 175.29 173.55 1j2o s TYR 25 N -3.59 3.56 0.00 0.91 2.02 -1.26 -3.28 117.35 115.71 1j2o s TYR 25 Ca 0.04 0.45 0.00 0.00 -0.37 0.00 0.00 57.07 57.19 1j2o s TYR 25 Cb -0.02 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.65 1j2o s TYR 25 CO -0.09 0.65 0.00 0.91 -1.57 0.00 0.00 175.55 175.45 1j2o n TRP 26 N 1.12 0.00 -4.33 2.71 7.02 0.16 -1.76 117.44 122.36 1j2o n TRP 26 Ca -0.12 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.16 1j2o n TRP 26 Cb 0.53 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.31 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 -0.91 1.72 0.29 -5.99 3.76 -1.26 -4.04 115.29 108.85 1j2o s HIS 27 Ca 0.00 -0.52 -0.02 0.00 -0.15 0.00 0.00 55.06 54.37 1j2o s HIS 27 Cb 0.00 -0.84 0.42 0.00 1.11 0.00 0.00 32.58 33.28 1j2o s HIS 27 CO 0.00 0.32 1.93 0.93 -0.85 0.00 0.00 174.74 177.07 1j2o h GLU 28 N 2.99 1.03 -0.00 1.40 5.08 -1.90 -3.24 114.58 119.94 1j2o h GLU 28 Ca -0.40 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1j2o h GLU 28 Cb 1.21 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1j2o h GLU 28 CO 0.56 0.74 -0.06 -3.47 -1.00 0.00 0.00 179.01 175.78 1j2o n ASP 29 N -4.37 1.11 0.05 1.42 2.03 -1.26 -4.70 116.55 110.83 1j2o n ASP 29 Ca 0.08 -1.06 -0.20 0.00 0.52 0.00 0.00 54.79 54.13 1j2o n ASP 29 Cb 0.08 0.26 -0.14 0.00 -0.72 0.00 0.00 41.12 40.60 1j2o n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j2o n LEU 31 N -4.10 2.99 0.00 0.00 4.77 -1.25 -4.90 117.00 114.52 1j2o n LEU 31 Ca -0.14 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1j2o n LEU 31 Cb 0.83 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1j2o n LEU 31 CO 0.49 -0.45 0.00 -1.54 -1.33 0.00 0.00 177.39 174.57 1j2o n SER 32 N 9.17 0.00 -4.62 -1.43 3.41 -1.26 -4.56 113.62 114.33 1j2o n SER 32 Ca 0.31 0.00 -0.50 0.00 -0.26 0.00 0.00 58.87 58.42 1j2o n SER 32 Cb 0.32 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 1j2o n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j2o h ASP 34 N 5.20 -0.34 0.10 0.00 1.82 -1.86 -1.63 116.42 119.72 1j2o h ASP 34 Ca -0.47 -0.09 -0.20 0.00 -0.39 0.00 0.00 57.03 55.88 1j2o h ASP 34 Cb 1.30 0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.40 1j2o h ASP 34 CO 0.83 0.14 -0.75 0.25 -1.61 0.00 0.00 179.24 178.09 1j2o h LEU 35 N -1.05 0.66 0.00 2.28 5.85 -1.91 -3.37 115.31 117.76 1j2o h LEU 35 Ca -0.04 -0.44 -0.12 0.00 0.84 0.00 0.00 57.88 58.12 1j2o h LEU 35 Cb 0.41 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1j2o h LEU 35 CO 0.07 1.20 -1.83 0.00 -0.34 0.00 0.00 178.44 177.53 1j2o n GLY 37 N 1.86 0.01 0.00 0.00 0.00 -0.61 -4.98 105.19 101.46 1j2o n GLY 37 Ca -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1j2o n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j2o s ARG 39 N 0.00 1.71 0.00 0.00 6.06 -1.26 -4.44 118.95 121.01 1j2o s ARG 39 Ca 0.00 -0.98 0.00 0.00 -2.50 0.00 0.00 55.73 52.25 1j2o s ARG 39 Cb 0.00 0.59 0.00 0.00 0.06 0.00 0.00 34.95 35.60 1j2o s ARG 39 CO 0.00 -0.77 0.00 1.28 -2.50 0.00 0.00 175.30 173.31 1j2o n LEU 40 N -0.44 0.00 0.00 -0.88 4.77 -1.26 -3.73 117.00 115.46 1j2o n LEU 40 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1j2o n LEU 40 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1j2o n LEU 40 CO 0.16 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1j2o n GLY 41 N 3.60 2.27 3.83 -0.72 0.00 -1.26 -4.34 105.19 108.57 1j2o n GLY 41 Ca 0.00 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 -3.41 0.00 1.61 4.71 -1.26 -4.89 120.64 117.40 1j2o n GLU 42 Ca 0.00 0.48 0.00 0.00 -0.01 0.00 0.00 57.16 57.63 1j2o n GLU 42 Cb 0.00 -4.66 0.00 0.00 -1.01 0.00 0.00 31.44 25.77 1j2o n GLU 42 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1j2o n VAL 43 N -4.32 0.00 1.85 2.62 0.24 -1.26 -4.56 118.33 112.90 1j2o n VAL 43 Ca -0.27 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.07 1j2o n VAL 43 Cb 0.67 1.00 0.23 0.00 -1.47 0.00 0.00 33.84 34.27 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 0.00 -0.93 0.00 7.63 0.00 -1.25 -4.77 105.19 105.87 1j2o n GLY 44 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.63 0.00 0.00 1.61 0.63 -1.26 -4.61 116.66 112.40 1j2o n ARG 45 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1j2o n ARG 45 Cb 0.03 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.94 1j2o n ARG 45 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1j2o n ARG 46 N 0.00 0.12 -3.18 -0.14 1.85 -1.26 -5.10 116.66 108.94 1j2o n ARG 46 Ca 0.00 -0.37 0.00 0.00 -1.00 0.00 0.00 57.85 56.48 1j2o n ARG 46 Cb 0.00 -0.64 0.00 0.00 -1.05 0.00 0.00 32.46 30.77 1j2o n ARG 46 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1j2o n LEU 47 N -0.05 0.00 -3.57 2.89 0.00 -1.26 -4.70 117.00 110.31 1j2o n LEU 47 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 56.01 55.84 1j2o n LEU 47 Cb 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.62 1j2o n LEU 47 CO 0.00 0.00 0.40 -0.47 0.00 0.00 0.00 177.39 177.32 1j2o s TYR 48 N -2.63 -0.65 -0.03 1.96 5.04 -1.26 -4.70 117.35 115.08 1j2o s TYR 48 Ca 0.00 1.27 -0.29 0.00 -2.44 0.00 0.00 57.07 55.61 1j2o s TYR 48 Cb 0.00 0.35 0.10 0.00 0.35 0.00 0.00 41.96 42.75 1j2o s TYR 48 CO 0.00 -0.53 0.83 1.52 -1.34 0.00 0.00 175.55 176.04 1j2o s TYR 49 N -0.77 -0.45 0.76 4.97 1.13 -1.26 0.20 117.35 121.94 1j2o s TYR 49 Ca -0.08 0.54 -0.11 0.00 -1.41 0.00 0.00 57.07 56.01 1j2o s TYR 49 Cb -0.02 0.49 0.05 0.00 -1.10 0.00 0.00 41.96 41.38 1j2o s TYR 49 CO 0.07 -0.55 1.08 0.15 -2.51 0.00 0.00 175.55 173.80 1j2o s LYS 50 N -2.24 2.39 0.10 -3.49 1.02 0.83 -4.89 119.74 113.46 1j2o s LYS 50 Ca -0.01 0.76 -0.06 0.00 0.02 0.00 0.00 55.97 56.68 1j2o s LYS 50 Cb -0.01 -1.94 0.12 0.00 -0.52 0.00 0.00 37.83 35.48 1j2o s LYS 50 CO -0.03 -1.44 0.65 1.47 -0.92 0.00 0.00 175.35 175.08 1j2o n LEU 51 N -3.33 -0.25 -2.07 3.17 -0.00 -1.26 -1.62 117.00 111.65 1j2o n LEU 51 Ca 0.07 0.72 0.01 0.00 -0.00 0.00 0.00 56.01 56.81 1j2o n LEU 51 Cb 0.55 -0.18 0.03 0.00 -0.00 0.00 0.00 43.42 43.83 1j2o n LEU 51 CO 0.56 -0.66 0.12 0.61 -0.00 0.00 0.00 177.39 178.02 1j2o n GLY 52 N -1.21 1.35 2.68 1.47 0.00 -1.26 -5.06 105.19 103.16 1j2o n GLY 52 Ca 0.05 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.44 0.30 -0.72 1.61 0.52 -0.64 -5.04 118.95 113.54 1j2o s ARG 53 Ca 0.25 -0.11 -0.25 0.00 -0.52 0.00 0.00 55.73 55.11 1j2o s ARG 53 Cb 0.33 -1.64 0.05 0.00 0.52 0.00 0.00 34.95 34.21 1j2o s ARG 53 CO -0.10 -0.57 1.14 -1.59 0.02 0.00 0.00 175.30 174.20 1j2o s LYS 54 N 2.03 3.18 0.00 3.54 0.00 -1.26 -0.12 119.74 127.11 1j2o s LYS 54 Ca 0.02 -0.56 -0.15 0.00 0.00 0.00 0.00 55.97 55.27 1j2o s LYS 54 Cb -0.15 -4.26 0.02 0.00 0.00 0.00 0.00 37.83 33.44 1j2o s LYS 54 CO -0.07 -2.00 0.32 -0.48 0.00 0.00 0.00 175.35 173.12 1j2o s LEU 55 N 4.91 0.80 0.30 2.77 2.34 -1.17 -4.76 118.68 123.87 1j2o s LEU 55 Ca 0.30 0.02 -0.29 0.00 0.06 0.00 0.00 54.13 54.21 1j2o s LEU 55 Cb -0.12 1.35 -0.11 0.00 -0.56 0.00 0.00 46.19 46.76 1j2o s LEU 55 CO 0.12 -0.51 1.46 0.00 -1.06 0.00 0.00 176.35 176.35 1j2o h ARG 57 N 4.28 0.37 -0.02 0.00 1.12 -1.84 0.21 114.38 118.49 1j2o h ARG 57 Ca -0.48 -0.41 -0.20 0.00 -1.11 0.00 0.00 59.98 57.78 1j2o h ARG 57 Cb 1.22 0.12 0.02 0.00 -0.01 0.00 0.00 29.97 31.32 1j2o h ARG 57 CO 0.73 1.09 -0.79 0.00 -3.11 0.00 0.00 179.97 177.90 1j2o h ARG 58 N 0.20 0.57 -0.00 0.20 2.47 -1.83 -1.82 114.38 114.17 1j2o h ARG 58 Ca -0.08 -0.59 0.00 0.00 -1.26 0.00 0.00 59.98 58.06 1j2o h ARG 58 Cb 1.59 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 30.07 1j2o h ARG 58 CO 0.16 1.20 -0.04 -0.25 0.56 0.00 0.00 179.97 181.60 1j2o n ASP 59 N -4.05 0.21 0.03 7.04 8.00 -1.22 -1.05 116.55 125.51 1j2o n ASP 59 Ca -0.10 -0.50 -0.19 0.00 0.71 0.00 0.00 54.79 54.71 1j2o n ASP 59 Cb 0.76 -0.15 -0.13 0.00 -0.02 0.00 0.00 41.12 41.58 1j2o n ASP 59 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1j2o h TYR 60 N 0.27 0.60 0.43 1.24 3.20 -0.34 -3.33 116.97 119.04 1j2o h TYR 60 Ca 0.00 -0.38 -0.02 0.00 3.14 0.00 0.00 58.73 61.47 1j2o h TYR 60 Cb 0.26 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1j2o h TYR 60 CO 0.00 1.25 -0.21 -0.07 -1.64 0.00 0.00 178.16 177.49 1j2o h LEU 61 N -0.22 -0.49 0.00 2.82 -0.00 -1.02 -3.48 115.31 112.92 1j2o h LEU 61 Ca -0.12 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 1j2o h LEU 61 Cb 1.52 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 42.30 1j2o h LEU 61 CO 0.14 -0.14 0.00 -1.14 -0.00 0.00 0.00 178.44 177.31 1j2o n ARG 62 N -5.22 0.00 0.00 1.13 3.00 -0.21 -4.61 116.66 110.74 1j2o n ARG 62 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 1j2o n ARG 62 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.75 1j2o n ARG 62 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1j2o n LEU 63 N -0.86 0.00 0.05 6.15 -0.00 -1.01 -3.95 117.00 117.37 1j2o n LEU 63 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1j2o n LEU 63 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1j2o n LEU 63 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1j2o n GLY 64 N 2.01 -0.18 0.63 1.47 0.00 -1.01 -3.44 105.19 104.67 1j2o n GLY 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.99 0.67 2.74 -0.02 0.00 -1.26 -4.36 105.19 104.96 1j2o n GLY 65 Ca 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 0.06 -0.24 -2.32 1.61 3.41 -1.26 -4.60 113.62 110.28 1j2o n SER 66 Ca -0.01 -0.42 -0.31 0.00 -0.26 0.00 0.00 58.87 57.88 1j2o n SER 66 Cb 0.70 -0.53 0.05 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.02 6.03 0.30 5.00 0.00 -1.25 -4.74 105.19 109.51 1j2o n GLY 67 Ca -0.02 -2.50 0.16 0.00 0.00 0.00 0.00 46.02 43.66 1j2o n GLY 67 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1j2o h GLY 68 N 2.25 0.00 0.00 -0.02 0.00 -1.86 0.06 103.07 103.50 1j2o h GLY 68 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1j2o h GLY 68 CO 1.22 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 175.37 1j2o n HIS 69 N -3.69 0.00 -0.11 5.60 1.44 -1.26 -4.32 115.22 112.88 1j2o n HIS 69 Ca -0.03 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.59 1j2o n HIS 69 Cb 0.10 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.26 1j2o n HIS 69 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 1j2o h MET 70 N 0.00 0.86 0.00 -1.40 2.86 -1.92 -3.48 114.93 111.85 1j2o h MET 70 Ca 0.00 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1j2o h MET 70 Cb 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1j2o h MET 70 CO 0.00 1.00 0.00 0.41 1.06 0.00 0.00 176.91 179.38 1j2o n GLY 71 N -0.16 3.61 2.91 8.32 0.00 0.01 -5.06 105.19 114.83 1j2o n GLY 71 Ca -0.00 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 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 1.83 0.00 1.61 0.01 -1.25 -4.75 113.70 111.15 1j2o s SER 72 Ca 0.00 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1j2o s SER 72 Cb 0.00 -0.73 0.00 0.00 0.21 0.00 0.00 66.02 65.50 1j2o s SER 72 CO 0.00 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1j2o n GLY 73 N 4.58 -1.81 0.00 3.44 0.00 -1.26 -4.74 105.19 105.40 1j2o n GLY 73 Ca -0.16 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 0.00 0.20 2.93 -0.02 0.00 -1.26 -3.89 105.19 103.16 1j2o n GLY 74 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.49 -0.09 1.61 2.15 -1.26 -5.08 116.67 114.49 1j2o s ASP 75 Ca 0.00 -0.07 -0.30 0.00 0.43 0.00 0.00 52.55 52.61 1j2o s ASP 75 Cb 0.00 -0.07 -0.02 0.00 -0.30 0.00 0.00 42.92 42.53 1j2o s ASP 75 CO 0.00 0.04 1.10 -0.69 -0.17 0.00 0.00 175.17 175.46 1j2o s VAL 76 N -0.03 4.53 -0.26 1.11 1.01 -1.26 -4.71 120.40 120.78 1j2o s VAL 76 Ca 0.01 1.82 -0.29 0.00 0.00 0.00 0.00 61.98 63.52 1j2o s VAL 76 Cb -0.02 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 1j2o s VAL 76 CO -0.00 -0.01 1.61 -0.04 0.00 0.00 0.00 175.10 176.65 1j2o s MET 77 N 2.21 3.71 0.00 2.72 1.00 -1.26 -4.83 119.30 122.84 1j2o s MET 77 Ca 0.52 1.53 0.03 0.00 0.00 0.00 0.00 55.69 57.77 1j2o s MET 77 Cb -0.21 -4.05 0.02 0.00 0.00 0.00 0.00 34.83 30.59 1j2o s MET 77 CO 0.19 -1.40 0.58 1.33 0.00 0.00 0.00 175.02 175.72 1j2o n VAL 78 N 6.63 0.00 -0.04 -6.03 0.24 -1.26 -4.64 118.33 113.23 1j2o n VAL 78 Ca 0.19 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.34 61.97 1j2o n VAL 78 Cb 0.46 1.06 -0.07 0.00 -1.47 0.00 0.00 33.84 33.82 1j2o n VAL 78 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1j2o n VAL 79 N 0.13 0.49 0.00 3.34 0.31 -1.26 -5.00 118.33 116.34 1j2o n VAL 79 Ca 0.02 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1j2o n VAL 79 Cb 0.08 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 1j2o n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j2o n GLY 80 N 2.32 1.43 3.74 2.92 0.00 -1.26 -5.12 105.19 109.21 1j2o n GLY 80 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 4.58 0.38 1.61 8.01 -1.26 -5.02 118.70 127.01 1j2o s GLU 81 Ca 0.00 1.73 -0.22 0.00 0.01 0.00 0.00 54.97 56.49 1j2o s GLU 81 Cb 0.00 -3.27 -0.10 0.00 -4.31 0.00 0.00 34.13 26.44 1j2o s GLU 81 CO 0.00 0.06 0.93 -2.14 0.01 0.00 0.00 175.26 174.12 1j2o s PRO 82 N -0.37 4.34 -0.74 0.39 0.02 -1.26 -4.80 135.00 132.58 1j2o s PRO 82 Ca 0.50 1.16 -0.26 0.00 0.02 0.00 0.00 61.00 62.42 1j2o s PRO 82 Cb -0.30 -2.42 0.01 0.00 0.02 0.00 0.00 34.50 31.81 1j2o s PRO 82 CO 0.35 0.09 1.58 0.99 -0.33 0.00 0.00 177.00 179.68 1j2o s THR 83 N -1.97 3.58 0.76 0.99 2.01 -1.26 -2.75 115.64 117.00 1j2o s THR 83 Ca 0.57 0.14 -0.05 0.00 0.31 0.00 0.00 61.69 62.66 1j2o s THR 83 Cb -0.12 -4.48 0.16 0.00 0.01 0.00 0.00 72.50 68.06 1j2o s THR 83 CO 0.17 -1.43 1.04 0.18 -0.69 0.00 0.00 174.62 173.89 1j2o n LEU 84 N 11.03 0.00 0.00 4.42 4.77 -0.73 -4.95 117.00 131.55 1j2o n LEU 84 Ca 0.16 -1.80 -0.15 0.00 -0.03 0.00 0.00 56.01 54.19 1j2o n LEU 84 Cb 0.50 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 1j2o n LEU 84 CO 0.69 -1.09 0.27 -0.03 -1.33 0.00 0.00 177.39 175.90 1j2o h MET 85 N 0.00 0.67 -3.00 3.23 4.05 -1.93 -3.34 114.93 114.60 1j2o h MET 85 Ca -0.34 -0.57 -0.80 0.00 -0.28 0.00 0.00 59.70 57.71 1j2o h MET 85 Cb 1.14 0.12 -0.27 0.00 -0.80 0.00 0.00 31.60 31.79 1j2o h MET 85 CO 0.32 1.18 0.87 0.41 0.23 0.00 0.00 176.91 179.92 1j2o n GLY 86 N 0.70 5.09 0.00 1.39 0.00 -1.26 -4.70 105.19 106.41 1j2o n GLY 86 Ca -0.07 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.33 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 1.51 1.26 1.25 -0.02 0.00 -1.25 -4.60 105.19 103.34 1j2o n GLY 87 Ca 0.27 -1.78 -0.04 0.00 0.00 0.00 0.00 46.02 44.47 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 1.22 1.20 -4.35 1.61 4.71 -1.26 -1.77 120.64 122.00 1j2o n GLU 88 Ca 0.00 -0.47 -0.25 0.00 -0.01 0.00 0.00 57.16 56.43 1j2o n GLU 88 Cb 0.00 -1.18 -0.12 0.00 -1.01 0.00 0.00 31.44 29.12 1j2o n GLU 88 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1j2o s PHE 89 N -0.52 2.02 -0.43 -0.32 0.08 -1.11 -4.19 117.98 113.50 1j2o s PHE 89 Ca 0.09 -0.41 0.04 0.00 0.12 0.00 0.00 56.93 56.77 1j2o s PHE 89 Cb 0.07 -1.05 0.17 0.00 -0.57 0.00 0.00 43.02 41.64 1j2o s PHE 89 CO 0.01 0.34 0.35 0.20 -0.10 0.00 0.00 175.22 176.02 1j2o s GLY 90 N -2.34 1.34 0.00 4.36 0.00 -1.22 -4.05 107.32 105.40 1j2o s GLY 90 Ca 0.14 -2.55 0.00 0.00 0.00 0.00 0.00 44.72 42.31 1j2o s GLY 90 CO 0.07 2.03 0.00 2.09 0.00 0.00 0.00 173.10 177.29 1j2o n ASP 91 N 2.81 0.00 0.00 1.64 5.68 -1.26 -4.53 116.55 120.89 1j2o n ASP 91 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.57 1j2o n ASP 91 Cb 0.46 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 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 -0.41 0.00 -1.22 0.11 4.71 -1.26 -3.96 120.64 118.60 1j2o n GLU 92 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.03 1j2o n GLU 92 Cb 0.00 -2.11 0.13 0.00 -1.01 0.00 0.00 31.44 28.45 1j2o n GLU 92 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1j2o n ASP 93 N 0.00 3.67 -4.56 1.62 5.68 -1.26 -4.71 116.55 116.98 1j2o n ASP 93 Ca 0.00 -3.80 -0.38 0.00 -0.50 0.00 0.00 54.79 50.11 1j2o n ASP 93 Cb 0.00 -0.56 -0.03 0.00 -1.14 0.00 0.00 41.12 39.39 1j2o n ASP 93 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1j2o s GLU 94 N -3.43 2.46 0.00 0.11 2.12 -1.25 -3.99 118.70 114.73 1j2o s GLU 94 Ca 0.48 1.18 0.00 0.00 0.36 0.00 0.00 54.97 56.99 1j2o s GLU 94 Cb 0.41 -4.47 0.00 0.00 0.26 0.00 0.00 34.13 30.34 1j2o s GLU 94 CO -0.00 -2.88 0.00 -2.13 -0.54 0.00 0.00 175.26 169.71 1j2o n ARG 95 N 9.01 0.00 -2.29 4.30 3.00 0.53 -2.94 116.66 128.27 1j2o n ARG 95 Ca 0.29 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.78 1j2o n ARG 95 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.97 1j2o n ARG 95 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1j2o s LEU 96 N 0.00 3.96 0.00 6.15 0.05 0.01 -4.89 118.68 123.97 1j2o s LEU 96 Ca 0.00 2.25 0.00 0.00 0.05 0.00 0.00 54.13 56.43 1j2o s LEU 96 Cb 0.00 -4.32 0.00 0.00 -2.05 0.00 0.00 46.19 39.82 1j2o s LEU 96 CO 0.00 -0.94 0.00 2.30 -0.55 0.00 0.00 176.35 177.16 1j2o n ILE 97 N -0.64 0.00 -3.83 1.48 -6.64 -1.26 -4.43 119.36 104.04 1j2o n ILE 97 Ca 0.08 0.00 -0.12 0.00 -1.77 0.00 0.00 62.75 60.94 1j2o n ILE 97 Cb 0.49 0.00 -0.14 0.00 -1.44 0.00 0.00 39.64 38.55 1j2o n ILE 97 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 1j2o s THR 98 N -1.62 -0.01 -0.37 7.28 -1.32 -1.23 -4.96 115.64 113.40 1j2o s THR 98 Ca 0.00 0.03 -0.28 0.00 -1.21 0.00 0.00 61.69 60.23 1j2o s THR 98 Cb 0.00 -0.12 -0.01 0.00 -1.51 0.00 0.00 72.50 70.85 1j2o s THR 98 CO 0.00 0.01 1.75 -0.13 -2.21 0.00 0.00 174.62 174.04 1j2o s ARG 99 N 0.20 3.30 0.43 7.08 1.81 -1.26 -2.25 118.95 128.25 1j2o s ARG 99 Ca -0.01 1.28 0.08 0.00 -1.72 0.00 0.00 55.73 55.35 1j2o s ARG 99 Cb -0.02 -4.19 -0.01 0.00 -0.45 0.00 0.00 34.95 30.28 1j2o s ARG 99 CO -0.01 -1.91 0.43 -1.17 -0.68 0.00 0.00 175.30 171.97 1j2o s LEU 100 N 6.91 3.38 -0.03 2.53 2.96 0.16 -4.96 118.68 129.63 1j2o s LEU 100 Ca 0.76 -0.73 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 1j2o s LEU 100 Cb -0.20 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.40 1j2o s LEU 100 CO 0.32 -0.73 -0.22 -1.61 -1.32 0.00 0.00 176.35 172.79 1j2o s GLU 101 N -4.20 1.97 1.02 1.98 2.02 -1.26 -1.43 118.70 118.80 1j2o s GLU 101 Ca 0.49 -0.79 -0.17 0.00 0.02 0.00 0.00 54.97 54.53 1j2o s GLU 101 Cb -0.04 -1.81 0.22 0.00 0.10 0.00 0.00 34.13 32.60 1j2o s GLU 101 CO 0.29 0.42 1.25 1.21 0.02 0.00 0.00 175.26 178.45 1j2o s ASN 102 N -0.34 2.60 0.03 -0.19 3.84 0.49 -4.95 114.94 116.42 1j2o s ASN 102 Ca 0.04 0.41 -0.15 0.00 0.21 0.00 0.00 52.86 53.36 1j2o s ASN 102 Cb -0.10 -0.54 -0.08 0.00 -0.55 0.00 0.00 41.25 39.98 1j2o s ASN 102 CO 0.01 -3.07 1.24 0.74 -2.79 0.00 0.00 177.10 173.23 1j2o h THR 103 N -1.87 0.00 -0.46 -5.21 2.02 -1.92 -3.18 112.91 102.30 1j2o h THR 103 Ca -0.45 0.00 -0.48 0.00 0.77 0.00 0.00 66.41 66.25 1j2o h THR 103 Cb 1.26 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.59 1j2o h THR 103 CO 0.39 0.00 1.32 0.00 0.37 0.00 0.00 175.52 177.60 1j2o n GLN 104 N -3.60 2.97 0.00 6.66 1.13 -1.26 -3.41 117.38 119.87 1j2o n GLN 104 Ca -0.06 -2.05 0.00 0.00 -1.94 0.00 0.00 57.00 52.95 1j2o n GLN 104 Cb 0.21 -2.34 0.00 0.00 0.11 0.00 0.00 30.24 28.22 1j2o n GLN 104 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1j2o n PHE 105 N 2.23 0.00 -0.44 1.08 7.35 -1.20 -3.69 117.46 122.80 1j2o n PHE 105 Ca 0.57 0.00 0.37 0.00 -0.76 0.00 0.00 57.45 57.62 1j2o n PHE 105 Cb 0.55 0.00 0.69 0.00 0.35 0.00 0.00 39.48 41.06 1j2o n PHE 105 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1j2o h ASP 106 N 0.00 0.17 0.00 -2.13 3.32 -1.71 -3.41 116.42 112.66 1j2o h ASP 106 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1j2o h ASP 106 Cb 0.67 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1j2o h ASP 106 CO 0.00 -0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.48 1j2o n ALA 107 N -2.66 0.00 0.02 3.45 0.00 -1.26 -4.99 120.51 115.07 1j2o n ALA 107 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1j2o n ALA 107 Cb 1.38 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.74 1j2o n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j2o n ALA 108 N 0.00 1.97 0.02 0.00 0.00 -1.26 -4.18 120.51 117.06 1j2o n ALA 108 Ca 0.00 -0.59 0.11 0.00 0.00 0.00 0.00 53.44 52.96 1j2o n ALA 108 Cb 0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 1j2o n ALA 108 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1j2o n ASN 109 N -2.84 0.25 0.00 0.00 5.15 -1.26 -5.06 115.26 111.50 1j2o n ASN 109 Ca -0.11 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1j2o n ASN 109 Cb 0.84 1.53 0.00 0.00 -0.53 0.00 0.00 39.78 41.62 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 1.25 1.60 0.14 8.20 0.00 -1.26 -4.96 105.19 110.15 1j2o n GLY 110 Ca -0.03 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 1.72 -3.59 -0.61 5.41 -1.26 -4.46 119.36 116.57 1j2o n ILE 111 Ca 0.00 -0.65 -0.39 0.00 1.00 0.00 0.00 62.75 62.71 1j2o n ILE 111 Cb 0.00 -1.64 -0.07 0.00 -0.71 0.00 0.00 39.64 37.23 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 -6.89 5.86 0.30 4.38 2.15 -1.26 -4.80 116.67 116.41 1j2o s ASP 112 Ca -0.24 -3.08 -0.29 0.00 0.43 0.00 0.00 52.55 49.37 1j2o s ASP 112 Cb 0.07 -1.96 -0.13 0.00 -0.30 0.00 0.00 42.92 40.59 1j2o s ASP 112 CO 0.74 -0.36 1.22 -0.67 -0.17 0.00 0.00 175.17 175.92 1j2o n ASP 113 N 3.25 2.22 0.00 -0.34 2.03 -1.26 -5.00 116.55 117.45 1j2o n ASP 113 Ca 0.13 1.18 0.00 0.00 0.52 0.00 0.00 54.79 56.63 1j2o n ASP 113 Cb 0.40 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 1j2o n ASP 113 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49