#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 4.82 0.00 1.61 0.01 -1.26 -5.12 113.70 113.76 1j2o s SER 2 Ca 0.00 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1j2o s SER 2 Cb 0.00 -1.24 0.00 0.00 0.21 0.00 0.00 66.02 64.99 1j2o s SER 2 CO 0.00 0.35 0.00 0.18 0.41 0.00 0.00 173.24 174.18 1j2o n LEU 3 N 2.06 0.00 -4.19 2.44 4.77 -1.26 -5.06 117.00 115.76 1j2o n LEU 3 Ca -0.18 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.69 1j2o n LEU 3 Cb 0.53 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1j2o n LEU 3 CO 0.28 -0.49 -0.39 -1.48 -1.33 0.00 0.00 177.39 173.98 1j2o s LEU 4 N 0.00 2.51 -0.04 2.23 2.34 -1.26 -5.03 118.68 119.43 1j2o s LEU 4 Ca 0.00 -0.99 0.07 0.00 0.06 0.00 0.00 54.13 53.27 1j2o s LEU 4 Cb 0.00 -0.15 -0.01 0.00 -0.56 0.00 0.00 46.19 45.46 1j2o s LEU 4 CO 0.00 -0.42 -0.24 0.42 -1.06 0.00 0.00 176.35 175.05 1j2o s THR 5 N -3.45 1.92 0.29 5.48 -4.23 -1.26 0.56 115.64 114.96 1j2o s THR 5 Ca 0.12 -1.02 -0.14 0.00 -1.18 0.00 0.00 61.69 59.47 1j2o s THR 5 Cb 0.04 -1.61 -0.08 0.00 1.34 0.00 0.00 72.50 72.18 1j2o s THR 5 CO -0.03 0.54 0.69 0.00 -0.54 0.00 0.00 174.62 175.28 1j2o n GLY 7 N -0.16 -0.82 0.10 0.00 0.00 0.18 -1.81 105.19 102.68 1j2o n GLY 7 Ca 0.02 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 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 1.13 -0.73 0.05 -0.02 0.00 -1.26 -4.77 105.19 99.59 1j2o n GLY 8 Ca 0.20 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.40 -1.50 -0.30 0.00 7.27 -0.75 -4.85 117.38 114.85 1j2o n GLN 10 Ca -0.17 1.05 0.02 0.00 0.07 0.00 0.00 57.00 57.98 1j2o n GLN 10 Cb 0.83 -5.55 0.14 0.00 2.41 0.00 0.00 30.24 28.07 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 -2.71 2.28 -1.05 3.69 10.64 -1.26 -4.81 117.38 124.16 1j2o n GLN 11 Ca -0.22 -1.05 0.00 0.00 -1.83 0.00 0.00 57.00 53.90 1j2o n GLN 11 Cb 0.67 -1.73 0.00 0.00 -0.86 0.00 0.00 30.24 28.31 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 0.21 -5.00 -4.49 2.61 2.85 -1.26 -4.86 115.26 105.32 1j2o n ASN 12 Ca 0.09 0.58 -0.42 0.00 -0.11 0.00 0.00 54.58 54.72 1j2o n ASN 12 Cb 0.55 -2.38 -0.03 0.00 1.24 0.00 0.00 39.78 39.16 1j2o n ASN 12 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1j2o s ILE 13 N -0.57 4.15 -0.18 -1.44 1.01 0.19 -4.77 121.20 119.59 1j2o s ILE 13 Ca 0.00 -0.26 0.16 0.00 0.00 0.00 0.00 60.65 60.55 1j2o s ILE 13 Cb 0.00 -4.79 0.49 0.00 0.01 0.00 0.00 42.46 38.16 1j2o s ILE 13 CO 0.00 -1.62 1.38 0.61 0.00 0.00 0.00 174.94 175.31 1j2o n GLY 14 N 5.47 4.26 1.58 6.18 0.00 -1.26 -4.26 105.19 117.16 1j2o n GLY 14 Ca 0.03 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.73 -0.87 -0.09 1.61 9.92 -1.26 -4.96 116.55 120.18 1j2o n ASP 15 Ca 0.21 -0.96 -0.12 0.00 -0.53 0.00 0.00 54.79 53.40 1j2o n ASP 15 Cb 0.86 -0.44 -0.15 0.00 -0.64 0.00 0.00 41.12 40.76 1j2o n ASP 15 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1j2o n ARG 16 N -2.66 0.68 -4.27 -1.24 1.85 -1.26 -4.63 116.66 105.14 1j2o n ARG 16 Ca 0.07 0.08 -0.18 0.00 -1.00 0.00 0.00 57.85 56.82 1j2o n ARG 16 Cb 0.25 -1.57 -0.13 0.00 -1.05 0.00 0.00 32.46 29.96 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 -2.51 0.91 0.27 2.89 5.04 -1.26 -1.29 117.35 121.39 1j2o s TYR 17 Ca -0.16 -0.31 -0.04 0.00 -2.44 0.00 0.00 57.07 54.13 1j2o s TYR 17 Cb 0.07 -0.55 0.02 0.00 0.35 0.00 0.00 41.96 41.84 1j2o s TYR 17 CO 0.77 -0.01 0.43 1.97 -1.34 0.00 0.00 175.55 177.37 1j2o n PHE 18 N 2.16 -1.44 -4.20 4.97 -1.74 -0.32 -4.40 117.46 112.48 1j2o n PHE 18 Ca -0.17 -1.61 -0.16 0.00 -0.56 0.00 0.00 57.45 54.95 1j2o n PHE 18 Cb 0.56 0.49 -0.13 0.00 1.52 0.00 0.00 39.48 41.91 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 2.11 -0.11 5.98 1.43 -1.24 -0.25 118.68 126.59 1j2o s LEU 19 Ca 0.18 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 1j2o s LEU 19 Cb -0.02 -0.33 0.09 0.00 0.03 0.00 0.00 46.19 45.97 1j2o s LEU 19 CO 0.13 -0.01 0.80 -0.75 0.23 0.00 0.00 176.35 176.75 1j2o s LYS 20 N -0.72 0.87 0.00 1.70 2.36 -1.21 0.42 119.74 123.16 1j2o s LYS 20 Ca -0.01 0.30 0.00 0.00 -2.55 0.00 0.00 55.97 53.71 1j2o s LYS 20 Cb -0.05 0.41 0.00 0.00 -1.05 0.00 0.00 37.83 37.14 1j2o s LYS 20 CO 0.00 -0.25 0.00 0.00 1.55 0.00 0.00 175.35 176.65 1j2o n ALA 21 N 1.06 0.00 -0.30 3.13 0.00 -1.18 -2.48 120.51 120.74 1j2o n ALA 21 Ca -0.16 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.43 1j2o n ALA 21 Cb 0.57 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.34 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 0.30 0.00 0.00 2.04 -1.86 -3.42 117.51 114.57 1j2o h ILE 22 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1j2o h ILE 22 Cb 0.00 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 1j2o h ILE 22 CO 0.00 0.04 0.00 -0.67 0.00 0.00 0.00 178.15 177.52 1j2o n ASP 23 N -5.21 0.00 -0.88 1.72 2.03 -1.26 -5.04 116.55 107.91 1j2o n ASP 23 Ca 0.23 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1j2o n ASP 23 Cb 0.73 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.13 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 1.04 -4.12 -0.67 0.00 -1.26 -5.17 117.38 107.19 1j2o n GLN 24 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.00 56.76 1j2o n GLN 24 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.19 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 -1.12 3.08 0.00 2.61 2.02 -1.26 -3.08 117.35 119.61 1j2o s TYR 25 Ca 0.00 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 1j2o s TYR 25 Cb 0.00 -1.42 0.00 0.00 -0.40 0.00 0.00 41.96 40.14 1j2o s TYR 25 CO 0.00 0.53 0.00 0.91 -1.57 0.00 0.00 175.55 175.42 1j2o n TRP 26 N -0.82 0.00 -4.50 2.71 7.02 0.17 -0.65 117.44 121.37 1j2o n TRP 26 Ca -0.08 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.12 1j2o n TRP 26 Cb 0.57 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.37 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 -1.80 2.32 0.06 -5.99 3.76 -1.26 -3.63 115.29 108.75 1j2o s HIS 27 Ca 0.00 -0.73 -0.21 0.00 -0.15 0.00 0.00 55.06 53.96 1j2o s HIS 27 Cb 0.00 -1.79 -0.12 0.00 1.11 0.00 0.00 32.58 31.78 1j2o s HIS 27 CO 0.00 0.28 1.50 0.93 -0.85 0.00 0.00 174.74 176.60 1j2o h GLU 28 N 1.52 0.25 -0.16 1.40 5.08 -1.88 -3.30 114.58 117.50 1j2o h GLU 28 Ca -0.43 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1j2o h GLU 28 Cb 1.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1j2o h GLU 28 CO 0.75 0.47 0.00 -3.47 -1.00 0.00 0.00 179.01 175.76 1j2o n ASP 29 N -4.77 2.94 -0.08 1.42 2.03 -1.26 -4.57 116.55 112.25 1j2o n ASP 29 Ca -0.05 -2.67 -0.21 0.00 0.52 0.00 0.00 54.79 52.38 1j2o n ASP 29 Cb 0.20 -0.36 -0.12 0.00 -0.72 0.00 0.00 41.12 40.12 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 -7.78 3.51 0.00 0.00 2.96 -1.25 -4.92 118.68 111.21 1j2o s LEU 31 Ca -0.27 0.78 -0.01 0.00 -0.22 0.00 0.00 54.13 54.42 1j2o s LEU 31 Cb 0.05 -3.38 0.00 0.00 0.50 0.00 0.00 46.19 43.37 1j2o s LEU 31 CO 0.63 -1.60 0.26 -1.20 -1.32 0.00 0.00 176.35 173.11 1j2o n SER 32 N 9.51 -0.71 -4.48 3.68 7.64 -1.26 -4.76 113.62 123.24 1j2o n SER 32 Ca 0.17 -2.02 -0.48 0.00 1.01 0.00 0.00 58.87 57.56 1j2o n SER 32 Cb 0.48 1.34 -0.07 0.00 -1.01 0.00 0.00 64.21 64.95 1j2o n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j2o n ASP 34 N 10.78 0.00 -0.21 0.00 2.03 -1.19 -1.40 116.55 126.55 1j2o n ASP 34 Ca 0.41 0.46 -0.01 0.00 0.52 0.00 0.00 54.79 56.17 1j2o n ASP 34 Cb 0.28 -0.40 0.10 0.00 -0.72 0.00 0.00 41.12 40.38 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 0.00 0.40 -0.68 -2.67 5.85 -1.89 -1.73 115.31 114.58 1j2o h LEU 35 Ca 0.00 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 1j2o h LEU 35 Cb 0.00 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1j2o h LEU 35 CO 0.00 0.25 0.10 0.00 -0.34 0.00 0.00 178.44 178.45 1j2o n GLY 37 N -0.57 0.61 0.00 0.00 0.00 -0.49 -5.00 105.19 99.73 1j2o n GLY 37 Ca 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 1.78 1.34 -0.41 0.00 1.70 -1.26 -4.59 118.95 117.50 1j2o s ARG 39 Ca 0.00 -0.71 -0.21 0.00 -0.47 0.00 0.00 55.73 54.34 1j2o s ARG 39 Cb 0.00 0.48 0.02 0.00 -0.57 0.00 0.00 34.95 34.88 1j2o s ARG 39 CO 0.00 -0.61 0.68 -0.51 -1.08 0.00 0.00 175.30 173.78 1j2o s LEU 40 N -2.87 4.35 0.00 -1.89 1.43 -1.26 -4.41 118.68 114.02 1j2o s LEU 40 Ca 0.10 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1j2o s LEU 40 Cb -0.03 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.38 1j2o s LEU 40 CO 0.01 -0.75 0.00 0.61 0.23 0.00 0.00 176.35 176.45 1j2o n GLY 41 N 4.88 -0.02 2.40 -3.19 0.00 -1.26 -4.90 105.19 103.11 1j2o n GLY 41 Ca -0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.86 3.45 -3.29 1.61 -0.58 -1.26 -4.87 120.64 113.84 1j2o n GLU 42 Ca 0.00 -2.63 -0.14 0.00 -0.42 0.00 0.00 57.16 53.98 1j2o n GLU 42 Cb 0.00 -2.42 -0.04 0.00 -0.57 0.00 0.00 31.44 28.41 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 1.80 0.00 -3.32 2.62 0.24 -1.26 -4.51 118.33 113.90 1j2o n VAL 43 Ca 0.58 -1.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 1j2o n VAL 43 Cb 0.43 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 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 0.77 3.77 0.00 7.63 0.00 -1.26 -4.96 105.19 111.13 1j2o n GLY 44 Ca -0.04 -2.14 0.08 0.00 0.00 0.00 0.00 46.02 43.92 1j2o n GLY 44 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1j2o n ARG 45 N -0.32 0.03 -1.12 1.61 1.85 -1.26 -4.69 116.66 112.76 1j2o n ARG 45 Ca 0.00 0.21 0.00 0.00 -1.00 0.00 0.00 57.85 57.06 1j2o n ARG 45 Cb 0.00 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 1j2o n ARG 45 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1j2o n ARG 46 N -1.48 1.22 -3.82 2.89 1.74 -1.26 -4.86 116.66 111.09 1j2o n ARG 46 Ca 0.04 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.04 1j2o n ARG 46 Cb 0.18 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.64 1j2o n ARG 46 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1j2o s LEU 47 N 0.00 -0.07 -0.01 0.55 2.96 -1.26 -4.93 118.68 115.92 1j2o s LEU 47 Ca 0.00 -0.97 -0.03 0.00 -0.22 0.00 0.00 54.13 52.91 1j2o s LEU 47 Cb 0.00 2.77 -0.00 0.00 0.50 0.00 0.00 46.19 49.46 1j2o s LEU 47 CO 0.00 -1.56 0.06 -0.47 -1.32 0.00 0.00 176.35 173.06 1j2o s TYR 48 N -2.73 0.03 0.04 5.38 5.04 -1.26 -4.17 117.35 119.68 1j2o s TYR 48 Ca 0.15 -0.05 -0.05 0.00 -2.44 0.00 0.00 57.07 54.67 1j2o s TYR 48 Cb -0.05 -0.04 -0.01 0.00 0.35 0.00 0.00 41.96 42.20 1j2o s TYR 48 CO 0.10 -0.13 0.08 1.52 -1.34 0.00 0.00 175.55 175.78 1j2o s TYR 49 N -0.64 0.24 0.61 4.97 1.13 -1.25 -4.13 117.35 118.29 1j2o s TYR 49 Ca -0.07 -0.57 -0.13 0.00 -1.41 0.00 0.00 57.07 54.89 1j2o s TYR 49 Cb -0.04 -0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 40.61 1j2o s TYR 49 CO 0.00 -0.36 1.03 0.21 -2.51 0.00 0.00 175.55 173.92 1j2o s LYS 50 N -2.72 3.46 0.22 -3.49 2.20 0.14 -4.84 119.74 114.72 1j2o s LYS 50 Ca -0.04 0.94 0.07 0.00 -0.36 0.00 0.00 55.97 56.58 1j2o s LYS 50 Cb -0.01 -2.06 0.69 0.00 -1.51 0.00 0.00 37.83 34.94 1j2o s LYS 50 CO -0.05 -0.68 1.04 1.47 -0.36 0.00 0.00 175.35 176.77 1j2o n LEU 51 N -2.42 0.07 0.00 5.43 -0.00 -1.26 -1.56 117.00 117.25 1j2o n LEU 51 Ca 0.07 1.11 0.00 0.00 -0.00 0.00 0.00 56.01 57.19 1j2o n LEU 51 Cb 0.54 -0.47 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 1j2o n LEU 51 CO 0.52 -1.18 0.30 0.61 -0.00 0.00 0.00 177.39 177.65 1j2o n GLY 52 N -1.25 -1.50 3.23 1.47 0.00 -1.26 -5.07 105.19 100.80 1j2o n GLY 52 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.24 1.26 -0.35 1.61 0.52 -0.60 -5.03 118.95 116.12 1j2o s ARG 53 Ca 0.00 -0.93 -0.04 0.00 -0.52 0.00 0.00 55.73 54.25 1j2o s ARG 53 Cb 0.00 -1.37 0.01 0.00 0.52 0.00 0.00 34.95 34.11 1j2o s ARG 53 CO 0.00 0.34 2.86 0.36 0.02 0.00 0.00 175.30 178.89 1j2o n LYS 54 N 1.78 2.25 -4.03 3.54 -0.00 -1.26 0.29 118.16 120.72 1j2o n LYS 54 Ca -0.18 -1.98 -0.29 0.00 -0.00 0.00 0.00 58.31 55.86 1j2o n LYS 54 Cb 0.54 -2.05 -0.06 0.00 -0.00 0.00 0.00 35.03 33.46 1j2o n LYS 54 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1j2o s LEU 55 N -1.70 3.92 0.00 -5.58 0.05 -1.26 -3.20 118.68 110.91 1j2o s LEU 55 Ca 0.57 0.02 -0.09 0.00 0.05 0.00 0.00 54.13 54.69 1j2o s LEU 55 Cb 0.35 -2.57 0.13 0.00 -2.05 0.00 0.00 46.19 42.05 1j2o s LEU 55 CO -0.16 0.15 0.52 0.00 -0.55 0.00 0.00 176.35 176.31 1j2o n ARG 57 N -2.81 0.76 -0.02 0.00 3.00 -1.26 -4.00 116.66 112.33 1j2o n ARG 57 Ca 0.07 -0.05 -0.05 0.00 -0.00 0.00 0.00 57.85 57.81 1j2o n ARG 57 Cb 0.26 -1.40 -0.04 0.00 0.00 0.00 0.00 32.46 31.28 1j2o n ARG 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1j2o h ARG 58 N 0.00 -0.08 0.00 -0.14 -0.00 -1.91 -1.42 114.38 110.83 1j2o h ARG 58 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 1j2o h ARG 58 Cb 0.58 0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.56 1j2o h ARG 58 CO 0.00 0.20 0.00 -0.44 0.00 0.00 0.00 179.97 179.73 1j2o h ASP 59 N -1.00 0.00 0.31 7.04 3.32 -1.89 -1.63 116.42 122.57 1j2o h ASP 59 Ca -0.01 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.79 1j2o h ASP 59 Cb 0.32 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.88 1j2o h ASP 59 CO 0.01 0.00 -1.04 0.22 -1.72 0.00 0.00 179.24 176.72 1j2o h TYR 60 N 0.00 0.70 0.00 4.55 5.03 -1.69 -3.00 116.97 122.56 1j2o h TYR 60 Ca 0.00 -0.41 0.00 0.00 2.58 0.00 0.00 58.73 60.90 1j2o h TYR 60 Cb 0.63 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.84 1j2o h TYR 60 CO 0.00 1.24 0.00 -0.11 -1.32 0.00 0.00 178.16 177.97 1j2o n LEU 61 N -3.74 0.00 0.21 2.82 7.94 -0.54 0.01 117.00 123.71 1j2o n LEU 61 Ca -0.08 0.46 0.05 0.00 -1.11 0.00 0.00 56.01 55.32 1j2o n LEU 61 Cb 0.89 -0.46 0.47 0.00 0.53 0.00 0.00 43.42 44.85 1j2o n LEU 61 CO 0.53 -0.03 0.84 0.03 -1.11 0.00 0.00 177.39 177.64 1j2o h ARG 62 N 0.00 0.00 0.00 1.96 -0.00 -1.19 -1.32 114.38 113.83 1j2o h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1j2o h ARG 62 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.39 1j2o h ARG 62 CO 0.00 0.25 -0.78 1.47 0.00 0.00 0.00 179.97 180.91 1j2o n LEU 63 N -4.11 1.59 -0.06 3.04 -0.00 -1.16 -4.69 117.00 111.61 1j2o n LEU 63 Ca -0.02 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.13 1j2o n LEU 63 Cb 0.31 0.00 0.57 0.00 -0.00 0.00 0.00 43.42 44.30 1j2o n LEU 63 CO 0.36 0.26 0.84 0.61 -0.00 0.00 0.00 177.39 179.47 1j2o n GLY 64 N 2.87 -1.17 0.00 1.47 0.00 0.10 -4.77 105.19 103.69 1j2o n GLY 64 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 1.37 1.47 1.59 -0.02 0.00 -0.66 -4.89 105.19 104.05 1j2o n GLY 65 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.00 0.00 1.61 7.64 -0.59 -4.96 113.62 117.32 1j2o n SER 66 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1j2o n SER 66 Cb 0.00 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 1.35 0.13 2.90 0.23 0.00 -1.25 -4.71 105.19 103.84 1j2o n GLY 67 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 3.54 -0.40 0.12 -0.02 0.00 -1.26 -4.03 105.19 103.14 1j2o n GLY 68 Ca 0.00 0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.41 0.00 0.19 1.61 8.25 -1.26 -4.39 115.22 115.21 1j2o n HIS 69 Ca -0.10 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.42 1j2o n HIS 69 Cb 0.61 -0.97 0.35 0.00 1.12 0.00 0.00 29.99 31.09 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 -4.71 -0.41 2.86 -1.96 -3.40 114.93 107.31 1j2o h MET 70 Ca -0.56 0.00 -0.70 0.00 -2.06 0.00 0.00 59.70 56.38 1j2o h MET 70 Cb 1.95 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 33.41 1j2o h MET 70 CO -0.06 0.35 0.06 0.20 1.06 0.00 0.00 176.91 178.52 1j2o s GLY 71 N -4.34 1.80 -0.44 8.32 0.00 -1.26 -4.65 107.32 106.74 1j2o s GLY 71 Ca 0.00 -2.12 0.07 0.00 0.00 0.00 0.00 44.72 42.68 1j2o s GLY 71 CO 0.68 1.51 1.01 1.44 0.00 0.00 0.00 173.10 177.74 1j2o n SER 72 N 6.19 -1.74 -0.46 1.64 7.64 -1.24 -3.74 113.62 121.92 1j2o n SER 72 Ca -0.09 -3.51 0.06 0.00 1.01 0.00 0.00 58.87 56.33 1j2o n SER 72 Cb 0.43 1.38 -0.02 0.00 -1.01 0.00 0.00 64.21 64.99 1j2o n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j2o n GLY 73 N 0.49 -1.95 7.00 0.23 0.00 -1.26 -4.60 105.19 105.10 1j2o n GLY 73 Ca 0.10 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.75 2.87 3.29 -0.02 0.00 -1.26 -4.66 105.19 102.66 1j2o n GLY 74 Ca -0.01 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 2.81 0.05 1.61 2.15 -1.26 -4.88 116.67 113.16 1j2o s ASP 75 Ca 0.00 -0.50 0.04 0.00 0.43 0.00 0.00 52.55 52.52 1j2o s ASP 75 Cb 0.00 -0.27 -0.04 0.00 -0.30 0.00 0.00 42.92 42.31 1j2o s ASP 75 CO 0.00 0.25 -0.03 0.54 -0.17 0.00 0.00 175.17 175.76 1j2o s VAL 76 N -0.69 3.88 -0.37 1.11 0.11 -1.26 -4.94 120.40 118.24 1j2o s VAL 76 Ca 0.10 -0.89 -0.28 0.00 -2.93 0.00 0.00 61.98 57.97 1j2o s VAL 76 Cb -0.09 -2.79 -0.03 0.00 -1.53 0.00 0.00 36.38 31.94 1j2o s VAL 76 CO 0.01 0.23 1.98 -0.04 -3.33 0.00 0.00 175.10 173.95 1j2o s MET 77 N -1.94 3.01 -0.40 1.54 -1.94 -1.26 -4.87 119.30 113.43 1j2o s MET 77 Ca 0.22 1.42 -0.27 0.00 -1.71 0.00 0.00 55.69 55.35 1j2o s MET 77 Cb -0.11 -4.32 -0.05 0.00 2.01 0.00 0.00 34.83 32.36 1j2o s MET 77 CO 0.14 -2.25 2.15 0.14 -0.01 0.00 0.00 175.02 175.19 1j2o s VAL 78 N 8.27 3.15 -0.36 -6.03 -7.23 -1.26 -4.83 120.40 112.12 1j2o s VAL 78 Ca 0.85 0.13 -0.01 0.00 -1.81 0.00 0.00 61.98 61.14 1j2o s VAL 78 Cb -0.22 -3.29 0.27 0.00 0.56 0.00 0.00 36.38 33.70 1j2o s VAL 78 CO 0.31 -0.24 1.94 0.55 -0.31 0.00 0.00 175.10 177.35 1j2o n VAL 79 N 7.69 2.81 0.00 1.32 3.14 -1.26 -4.85 118.33 127.18 1j2o n VAL 79 Ca 0.29 -1.74 0.00 0.00 -2.96 0.00 0.00 64.34 59.94 1j2o n VAL 79 Cb 0.50 -1.21 0.00 0.00 -1.06 0.00 0.00 33.84 32.07 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 0.05 2.10 2.77 7.55 0.00 -1.26 -4.55 105.19 111.85 1j2o n GLY 80 Ca 0.35 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1j2o n GLY 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1j2o s GLU 81 N 0.00 0.94 0.41 1.61 -1.05 -1.26 -5.15 118.70 114.20 1j2o s GLU 81 Ca 0.00 -1.10 -0.22 0.00 -0.15 0.00 0.00 54.97 53.50 1j2o s GLU 81 Cb 0.00 -0.38 -0.10 0.00 -0.44 0.00 0.00 34.13 33.21 1j2o s GLU 81 CO 0.00 -1.30 0.97 -2.14 0.95 0.00 0.00 175.26 173.74 1j2o s PRO 82 N 0.96 4.25 0.00 -4.83 0.02 -1.26 -4.95 135.00 129.19 1j2o s PRO 82 Ca 0.26 1.23 0.27 0.00 0.02 0.00 0.00 61.00 62.79 1j2o s PRO 82 Cb -0.02 -2.34 0.95 0.00 0.02 0.00 0.00 34.50 33.12 1j2o s PRO 82 CO -0.08 -0.02 1.72 0.25 -0.33 0.00 0.00 177.00 178.54 1j2o n THR 83 N -0.37 0.00 -3.95 0.99 -2.24 -1.26 -4.57 114.28 102.88 1j2o n THR 83 Ca 0.06 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.51 1j2o n THR 83 Cb 0.53 -0.15 -0.14 0.00 -2.10 0.00 0.00 70.33 68.46 1j2o n THR 83 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1j2o s LEU 84 N -2.92 4.89 -0.16 3.22 2.34 -1.26 -4.47 118.68 120.33 1j2o s LEU 84 Ca 0.15 -2.15 -0.08 0.00 0.06 0.00 0.00 54.13 52.10 1j2o s LEU 84 Cb 0.19 -1.68 -0.23 0.00 -0.56 0.00 0.00 46.19 43.90 1j2o s LEU 84 CO 0.59 -0.42 0.24 0.80 -1.06 0.00 0.00 176.35 176.50 1j2o n MET 85 N 4.31 0.71 -0.08 1.48 1.56 -1.26 -4.53 117.12 119.30 1j2o n MET 85 Ca 0.02 0.30 0.00 0.00 -0.27 0.00 0.00 57.70 57.76 1j2o n MET 85 Cb 0.42 -1.68 0.00 0.00 2.15 0.00 0.00 33.22 34.10 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 1.91 6.98 0.25 -5.12 0.00 -1.26 -4.07 105.19 103.87 1j2o n GLY 86 Ca -0.35 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 43.68 1j2o n GLY 86 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1j2o h GLY 87 N 0.00 0.93 -4.71 -0.02 0.00 -1.81 -3.28 103.07 94.17 1j2o h GLY 87 Ca 0.00 -1.04 -0.50 0.00 0.00 0.00 0.00 47.33 45.79 1j2o h GLY 87 CO 0.00 0.93 1.80 1.18 0.00 0.00 0.00 176.54 180.45 1j2o n GLU 88 N -4.02 3.11 0.00 4.80 4.71 -1.26 -4.37 120.64 123.62 1j2o n GLU 88 Ca -0.03 -2.01 0.00 0.00 -0.01 0.00 0.00 57.16 55.11 1j2o n GLU 88 Cb 0.60 -2.43 0.00 0.00 -1.01 0.00 0.00 31.44 28.60 1j2o n GLU 88 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1j2o n PHE 89 N 2.60 0.00 -3.87 -0.32 3.72 -1.24 -2.80 117.46 115.56 1j2o n PHE 89 Ca 0.61 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.69 1j2o n PHE 89 Cb 0.50 -0.10 -0.12 0.00 -0.94 0.00 0.00 39.48 38.82 1j2o n PHE 89 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1j2o s GLY 90 N -0.64 2.62 0.00 1.37 0.00 -1.26 -4.77 107.32 104.64 1j2o s GLY 90 Ca 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 44.72 41.27 1j2o s GLY 90 CO 0.00 1.06 0.00 2.09 0.00 0.00 0.00 173.10 176.25 1j2o n ASP 91 N 2.86 0.00 0.00 1.64 5.68 -1.12 -4.76 116.55 120.85 1j2o n ASP 91 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.39 1j2o n ASP 91 Cb 0.34 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 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 -1.30 0.11 1.02 -1.26 -4.45 120.64 114.76 1j2o n GLU 92 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 1j2o n GLU 92 Cb 0.00 -0.24 0.12 0.00 -0.02 0.00 0.00 31.44 31.30 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 0.80 4.95 -4.61 1.62 2.03 -1.26 -4.98 116.55 115.08 1j2o n ASP 93 Ca 0.00 -3.75 -0.34 0.00 0.52 0.00 0.00 54.79 51.22 1j2o n ASP 93 Cb 0.00 -0.74 -0.11 0.00 -0.72 0.00 0.00 41.12 39.56 1j2o n ASP 93 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1j2o s GLU 94 N -3.52 3.00 0.00 -0.67 4.04 -1.26 -4.77 118.70 115.51 1j2o s GLU 94 Ca 0.55 -0.48 0.24 0.00 0.04 0.00 0.00 54.97 55.33 1j2o s GLU 94 Cb 0.46 -2.73 0.33 0.00 0.02 0.00 0.00 34.13 32.21 1j2o s GLU 94 CO 0.03 0.61 1.32 -2.13 -1.84 0.00 0.00 175.26 173.25 1j2o n ARG 95 N 2.39 1.71 0.00 -4.83 0.63 -1.26 -5.06 116.66 110.24 1j2o n ARG 95 Ca -0.18 -1.33 0.00 0.00 -0.92 0.00 0.00 57.85 55.42 1j2o n ARG 95 Cb 0.53 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 31.97 1j2o n ARG 95 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1j2o n LEU 96 N 0.52 0.00 -3.64 6.15 4.77 -1.26 -4.77 117.00 118.77 1j2o n LEU 96 Ca 0.13 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.06 1j2o n LEU 96 Cb 0.49 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 1j2o n LEU 96 CO 0.21 -0.45 0.39 0.27 -1.33 0.00 0.00 177.39 176.47 1j2o s ILE 97 N 0.00 -0.17 -0.22 -0.08 -5.25 -1.26 -4.29 121.20 109.94 1j2o s ILE 97 Ca 0.00 0.00 -0.19 0.00 -0.99 0.00 0.00 60.65 59.47 1j2o s ILE 97 Cb 0.00 -1.00 -0.03 0.00 2.95 0.00 0.00 42.46 44.38 1j2o s ILE 97 CO 0.00 0.00 0.57 0.42 -1.79 0.00 0.00 174.94 174.14 1j2o s THR 98 N 1.82 5.06 -0.85 8.37 -4.23 -1.04 -4.89 115.64 119.88 1j2o s THR 98 Ca -0.09 1.04 -0.25 0.00 -1.18 0.00 0.00 61.69 61.21 1j2o s THR 98 Cb -0.06 -3.88 -0.02 0.00 1.34 0.00 0.00 72.50 69.87 1j2o s THR 98 CO -0.19 0.12 1.82 -0.13 -0.54 0.00 0.00 174.62 175.70 1j2o s ARG 99 N 1.96 2.76 0.42 3.99 1.81 -1.26 -3.35 118.95 125.28 1j2o s ARG 99 Ca 0.25 -0.21 0.08 0.00 -1.72 0.00 0.00 55.73 54.13 1j2o s ARG 99 Cb -0.16 -4.91 0.00 0.00 -0.45 0.00 0.00 34.95 29.43 1j2o s ARG 99 CO 0.10 -3.00 0.51 -1.17 -0.68 0.00 0.00 175.30 171.05 1j2o s LEU 100 N 8.88 3.54 -0.13 2.53 2.96 0.65 -4.93 118.68 132.18 1j2o s LEU 100 Ca 0.64 -0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 53.93 1j2o s LEU 100 Cb -0.07 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1j2o s LEU 100 CO 0.03 -0.74 0.10 -1.61 -1.32 0.00 0.00 176.35 172.82 1j2o s GLU 101 N -4.28 3.49 0.32 1.98 8.01 -1.26 -1.18 118.70 125.78 1j2o s GLU 101 Ca 0.52 -0.22 -0.03 0.00 0.01 0.00 0.00 54.97 55.26 1j2o s GLU 101 Cb -0.07 -3.14 -0.04 0.00 -4.31 0.00 0.00 34.13 26.56 1j2o s GLU 101 CO 0.31 0.66 0.57 1.21 0.01 0.00 0.00 175.26 178.02 1j2o s ASN 102 N -0.71 6.37 0.18 -0.19 2.47 -0.41 -4.89 114.94 117.76 1j2o s ASN 102 Ca 0.13 0.63 -0.23 0.00 0.42 0.00 0.00 52.86 53.80 1j2o s ASN 102 Cb -0.12 -2.11 0.09 0.00 -1.45 0.00 0.00 41.25 37.66 1j2o s ASN 102 CO 0.03 -0.26 1.57 0.74 -3.72 0.00 0.00 177.10 175.45 1j2o h THR 103 N 1.05 0.08 0.00 -5.21 2.02 -1.88 -1.21 112.91 107.75 1j2o h THR 103 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1j2o h THR 103 Cb 1.20 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1j2o h THR 103 CO 0.64 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.53 1j2o n GLN 104 N -5.41 0.13 0.00 6.66 0.00 -1.26 -4.67 117.38 112.82 1j2o n GLN 104 Ca 0.04 0.18 0.00 0.00 0.00 0.00 0.00 57.00 57.22 1j2o n GLN 104 Cb 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.09 1j2o n GLN 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1j2o n PHE 105 N -1.24 0.00 0.00 2.61 7.35 -0.46 -5.03 117.46 120.69 1j2o n PHE 105 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 1j2o n PHE 105 Cb 0.05 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.88 1j2o n PHE 105 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1j2o n ASP 106 N 0.00 0.00 -2.99 -2.13 -0.08 -1.23 -4.90 116.55 105.23 1j2o n ASP 106 Ca 0.00 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.09 1j2o n ASP 106 Cb 0.00 0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.47 1j2o n ASP 106 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j2o n ALA 107 N -0.82 -0.95 0.12 -1.67 0.00 0.70 -4.69 120.51 113.19 1j2o n ALA 107 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1j2o n ALA 107 Cb 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 16.96 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 -3.07 3.00 0.00 0.00 0.00 -1.26 -4.94 120.51 114.25 1j2o n ALA 108 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1j2o n ALA 108 Cb 0.58 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 -3.48 0.38 -2.20 0.00 2.85 -1.26 -5.10 115.26 106.45 1j2o n ASN 109 Ca 0.00 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1j2o n ASN 109 Cb 0.00 0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.15 1j2o n ASN 109 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1j2o n GLY 110 N 0.24 -0.65 0.03 8.20 0.00 -1.26 -4.99 105.19 106.77 1j2o n GLY 110 Ca 0.00 -1.71 0.11 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.29 0.16 -1.48 -0.61 -0.00 -1.26 -4.50 119.36 110.39 1j2o n ILE 111 Ca 0.00 -0.21 -0.40 0.00 -0.00 0.00 0.00 62.75 62.15 1j2o n ILE 111 Cb 0.00 0.21 -0.02 0.00 -0.00 0.00 0.00 39.64 39.83 1j2o n ILE 111 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1j2o n ASP 112 N -1.90 5.54 -4.64 4.38 8.00 -1.26 -4.90 116.55 121.76 1j2o n ASP 112 Ca 0.03 -2.70 -0.33 0.00 0.71 0.00 0.00 54.79 52.49 1j2o n ASP 112 Cb 0.42 -1.55 -0.10 0.00 -0.02 0.00 0.00 41.12 39.87 1j2o n ASP 112 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1j2o s ASP 113 N 2.99 4.92 0.00 -2.24 2.15 -1.26 -0.22 116.67 123.02 1j2o s ASP 113 Ca 0.55 -0.03 0.19 0.00 0.43 0.00 0.00 52.55 53.69 1j2o s ASP 113 Cb 0.15 -1.25 0.15 0.00 -0.30 0.00 0.00 42.92 41.67 1j2o s ASP 113 CO -0.06 0.30 1.10 1.21 -0.17 0.00 0.00 175.17 177.55