#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 6.79 0.00 1.61 0.01 -1.26 -4.88 113.70 115.97 1j2o s SER 2 Ca 0.00 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.25 1j2o s SER 2 Cb 0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1j2o s SER 2 CO 0.00 0.19 0.00 0.18 0.41 0.00 0.00 173.24 174.02 1j2o n LEU 3 N 1.14 0.00 -4.47 2.44 4.77 -1.26 -5.11 117.00 114.51 1j2o n LEU 3 Ca -0.08 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.66 1j2o n LEU 3 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1j2o n LEU 3 CO 0.41 -0.35 -0.45 -0.76 -1.33 0.00 0.00 177.39 174.91 1j2o s LEU 4 N -4.10 2.61 -0.07 2.23 1.43 -1.25 -5.01 118.68 114.51 1j2o s LEU 4 Ca 0.00 -1.07 0.05 0.00 -1.03 0.00 0.00 54.13 52.08 1j2o s LEU 4 Cb 0.00 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 1j2o s LEU 4 CO 0.00 -0.05 -0.23 0.42 0.23 0.00 0.00 176.35 176.72 1j2o s THR 5 N -2.61 1.94 0.03 5.49 -4.23 -1.26 0.51 115.64 115.51 1j2o s THR 5 Ca 0.30 -0.99 -0.19 0.00 -1.18 0.00 0.00 61.69 59.63 1j2o s THR 5 Cb -0.03 -1.66 -0.06 0.00 1.34 0.00 0.00 72.50 72.09 1j2o s THR 5 CO 0.14 0.54 0.54 0.00 -0.54 0.00 0.00 174.62 175.30 1j2o n GLY 7 N 2.00 -1.05 0.09 0.00 0.00 -0.35 -1.17 105.19 104.71 1j2o n GLY 7 Ca -0.10 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 4.56 0.00 0.00 -0.02 0.00 -1.93 -3.42 103.07 102.26 1j2o h GLY 8 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1j2o h GLY 8 CO 0.00 0.00 -1.74 0.00 0.00 0.00 0.00 176.54 174.80 1j2o n GLN 10 N -2.24 -1.38 -0.38 0.00 1.13 -0.32 -4.86 117.38 109.33 1j2o n GLN 10 Ca -0.12 1.01 0.10 0.00 -1.94 0.00 0.00 57.00 56.04 1j2o n GLN 10 Cb 0.66 -5.42 0.29 0.00 0.11 0.00 0.00 30.24 25.88 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 -2.63 2.70 -0.42 -1.09 -0.00 -1.26 -4.89 117.38 109.78 1j2o n GLN 11 Ca -0.20 -2.36 0.00 0.00 -0.00 0.00 0.00 57.00 54.43 1j2o n GLN 11 Cb 0.64 -1.57 0.00 0.00 -0.00 0.00 0.00 30.24 29.31 1j2o n GLN 11 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1j2o n ASN 12 N 1.30 -3.30 -4.45 2.61 5.15 -1.26 -4.87 115.26 110.43 1j2o n ASN 12 Ca 0.22 0.32 -0.43 0.00 -0.60 0.00 0.00 54.58 54.08 1j2o n ASN 12 Cb 0.60 -0.45 -0.04 0.00 -0.53 0.00 0.00 39.78 39.35 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 -1.87 4.54 -1.52 -1.44 1.01 0.18 -4.83 121.20 117.26 1j2o s ILE 13 Ca 0.00 -0.37 0.17 0.00 0.00 0.00 0.00 60.65 60.45 1j2o s ILE 13 Cb 0.00 -4.54 0.47 0.00 0.01 0.00 0.00 42.46 38.40 1j2o s ILE 13 CO 0.00 -1.20 1.39 0.61 0.00 0.00 0.00 174.94 175.74 1j2o n GLY 14 N 5.25 2.50 3.75 6.18 0.00 -1.26 -3.91 105.19 117.69 1j2o n GLY 14 Ca -0.04 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 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 1.12 0.25 0.00 1.61 8.00 -1.26 -4.81 116.55 121.46 1j2o n ASP 15 Ca 0.18 -1.55 0.10 0.00 0.71 0.00 0.00 54.79 54.23 1j2o n ASP 15 Cb 0.53 -0.94 -0.15 0.00 -0.02 0.00 0.00 41.12 40.54 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 -3.61 0.65 -4.57 -1.24 0.00 -1.26 -4.48 116.66 102.15 1j2o n ARG 16 Ca 0.16 -0.14 -0.21 0.00 -0.00 0.00 0.00 57.85 57.66 1j2o n ARG 16 Cb 0.56 -1.57 -0.15 0.00 -0.00 0.00 0.00 32.46 31.31 1j2o n ARG 16 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1j2o s TYR 17 N -3.42 1.14 0.23 2.89 5.04 -1.26 0.01 117.35 121.98 1j2o s TYR 17 Ca -0.07 -0.23 -0.05 0.00 -2.44 0.00 0.00 57.07 54.28 1j2o s TYR 17 Cb 0.13 -0.74 0.02 0.00 0.35 0.00 0.00 41.96 41.71 1j2o s TYR 17 CO 0.89 -0.03 0.40 1.97 -1.34 0.00 0.00 175.55 177.43 1j2o n PHE 18 N 2.82 -1.45 -5.01 4.97 -1.74 -0.56 -4.71 117.46 111.79 1j2o n PHE 18 Ca -0.14 -1.33 -0.28 0.00 -0.56 0.00 0.00 57.45 55.14 1j2o n PHE 18 Cb 0.55 0.46 -0.16 0.00 1.52 0.00 0.00 39.48 41.85 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 1.99 -0.13 5.98 1.43 -1.23 0.19 118.68 126.91 1j2o s LEU 19 Ca 0.14 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 1j2o s LEU 19 Cb -0.02 -1.12 0.08 0.00 0.03 0.00 0.00 46.19 45.16 1j2o s LEU 19 CO 0.10 0.20 0.76 -0.75 0.23 0.00 0.00 176.35 176.89 1j2o s LYS 20 N -0.11 0.91 0.00 1.70 2.36 -1.12 0.49 119.74 123.97 1j2o s LYS 20 Ca -0.02 0.42 0.00 0.00 -2.55 0.00 0.00 55.97 53.82 1j2o s LYS 20 Cb -0.12 0.43 0.00 0.00 -1.05 0.00 0.00 37.83 37.10 1j2o s LYS 20 CO 0.02 -0.24 0.00 0.00 1.55 0.00 0.00 175.35 176.68 1j2o n ALA 21 N 1.35 0.00 -0.29 3.13 0.00 -1.21 -3.88 120.51 119.61 1j2o n ALA 21 Ca -0.16 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.32 1j2o n ALA 21 Cb 0.57 0.00 0.19 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 0.82 0.00 0.00 2.04 -1.96 -3.44 117.51 114.98 1j2o h ILE 22 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 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 0.13 0.00 -0.67 0.00 0.00 0.00 178.15 177.61 1j2o n ASP 23 N -4.82 0.00 -4.71 1.72 2.03 -1.26 -5.13 116.55 104.38 1j2o n ASP 23 Ca 0.15 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.15 1j2o n ASP 23 Cb 0.34 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.65 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 2.11 0.16 -0.67 1.11 -1.26 -5.14 119.66 115.97 1j2o s GLN 24 Ca 0.00 -2.28 -0.03 0.00 0.01 0.00 0.00 55.36 53.06 1j2o s GLN 24 Cb 0.00 -1.58 -0.05 0.00 -1.01 0.00 0.00 33.01 30.37 1j2o s GLN 24 CO 0.00 -0.24 0.38 0.71 0.01 0.00 0.00 175.29 176.15 1j2o s TYR 25 N -2.81 3.48 0.00 0.91 2.02 -1.23 -3.35 117.35 116.37 1j2o s TYR 25 Ca 0.18 0.48 0.00 0.00 -0.37 0.00 0.00 57.07 57.35 1j2o s TYR 25 Cb 0.05 -1.95 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 1j2o s TYR 25 CO 0.09 0.42 0.00 0.91 -1.57 0.00 0.00 175.55 175.40 1j2o n TRP 26 N -0.17 0.00 -4.40 2.71 7.02 0.18 -1.21 117.44 121.57 1j2o n TRP 26 Ca -0.03 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.21 1j2o n TRP 26 Cb 0.52 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.30 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 -1.54 2.13 0.33 -5.99 3.76 -1.26 -3.53 115.29 109.19 1j2o s HIS 27 Ca 0.00 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.54 1j2o s HIS 27 Cb 0.00 -1.02 0.57 0.00 1.11 0.00 0.00 32.58 33.24 1j2o s HIS 27 CO 0.00 0.50 1.91 0.93 -0.85 0.00 0.00 174.74 177.22 1j2o h GLU 28 N 2.96 0.69 -0.00 1.40 5.08 -1.88 -2.70 114.58 120.13 1j2o h GLU 28 Ca -0.43 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1j2o h GLU 28 Cb 1.22 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1j2o h GLU 28 CO 0.52 0.60 -0.52 -3.47 -1.00 0.00 0.00 179.01 175.14 1j2o n ASP 29 N -4.33 1.04 -0.07 1.42 2.03 -1.26 -4.53 116.55 110.85 1j2o n ASP 29 Ca 0.03 -1.02 -0.17 0.00 0.52 0.00 0.00 54.79 54.15 1j2o n ASP 29 Cb 0.18 0.78 -0.13 0.00 -0.72 0.00 0.00 41.12 41.23 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 -8.05 3.79 0.37 0.00 0.20 -1.03 -4.95 118.68 109.01 1j2o s LEU 31 Ca -0.22 2.03 0.04 0.00 0.69 0.00 0.00 54.13 56.67 1j2o s LEU 31 Cb 0.01 -3.52 -0.05 0.00 -0.43 0.00 0.00 46.19 42.20 1j2o s LEU 31 CO 0.67 -1.59 0.08 -0.94 -0.29 0.00 0.00 176.35 174.27 1j2o s SER 32 N 6.50 2.70 0.85 3.68 1.04 -1.26 -4.40 113.70 122.81 1j2o s SER 32 Ca 0.92 -1.50 -0.11 0.00 0.48 0.00 0.00 55.95 55.73 1j2o s SER 32 Cb -0.34 0.16 0.10 0.00 0.10 0.00 0.00 66.02 66.04 1j2o s SER 32 CO 0.36 -0.73 1.09 0.00 0.98 0.00 0.00 173.24 174.94 1j2o n ASP 34 N -3.73 1.65 -0.06 0.00 2.03 -0.01 -3.57 116.55 112.85 1j2o n ASP 34 Ca 0.07 -0.02 -0.03 0.00 0.52 0.00 0.00 54.79 55.33 1j2o n ASP 34 Cb 0.55 0.66 -0.01 0.00 -0.72 0.00 0.00 41.12 41.60 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 0.00 -0.51 -2.67 5.85 -1.94 -3.38 115.31 112.66 1j2o h LEU 35 Ca -0.39 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.26 1j2o h LEU 35 Cb 1.84 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.85 1j2o h LEU 35 CO 0.01 0.65 0.06 0.00 -0.34 0.00 0.00 178.44 178.82 1j2o n GLY 37 N -0.49 1.26 0.00 0.00 0.00 -1.23 -4.95 105.19 99.77 1j2o n GLY 37 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.49 0.00 -3.77 0.00 1.74 -1.26 -4.41 116.66 108.47 1j2o n ARG 39 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1j2o n ARG 39 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 1j2o n ARG 39 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1j2o n LEU 40 N 0.00 3.29 -1.18 0.55 4.77 -1.26 -3.29 117.00 119.88 1j2o n LEU 40 Ca 0.00 -5.27 0.08 0.00 -0.03 0.00 0.00 56.01 50.79 1j2o n LEU 40 Cb 0.00 -0.76 0.29 0.00 -2.33 0.00 0.00 43.42 40.63 1j2o n LEU 40 CO 0.00 1.82 0.75 0.61 -1.33 0.00 0.00 177.39 179.24 1j2o n GLY 41 N 1.69 3.43 0.00 -0.72 0.00 -1.26 -4.94 105.19 103.39 1j2o n GLY 41 Ca 0.23 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.15 3.30 -1.87 1.61 0.28 -1.26 -5.00 120.64 117.85 1j2o n GLU 42 Ca 0.22 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.81 1j2o n GLU 42 Cb 0.89 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.73 1j2o n GLU 42 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1j2o s VAL 43 N 2.02 3.29 -0.81 3.84 1.01 -1.26 -4.89 120.40 123.60 1j2o s VAL 43 Ca 0.00 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1j2o s VAL 43 Cb 0.00 -3.50 0.27 0.00 0.00 0.00 0.00 36.38 33.15 1j2o s VAL 43 CO 0.00 -0.40 1.02 0.61 0.00 0.00 0.00 175.10 176.33 1j2o n GLY 44 N 5.64 4.94 0.02 4.51 0.00 -1.26 -4.62 105.19 114.43 1j2o n GLY 44 Ca 0.26 -2.73 -0.03 0.00 0.00 0.00 0.00 46.02 43.51 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 1.05 0.36 -3.60 1.61 1.85 -1.26 -4.92 116.66 111.75 1j2o n ARG 45 Ca 0.28 0.03 -0.29 0.00 -1.00 0.00 0.00 57.85 56.87 1j2o n ARG 45 Cb 0.38 -1.10 -0.15 0.00 -1.05 0.00 0.00 32.46 30.54 1j2o n ARG 45 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 1j2o s ARG 46 N -2.10 0.44 -0.44 2.89 1.70 -1.26 -4.78 118.95 115.40 1j2o s ARG 46 Ca -0.06 -0.86 -0.24 0.00 -0.47 0.00 0.00 55.73 54.10 1j2o s ARG 46 Cb 0.02 -1.48 0.02 0.00 -0.57 0.00 0.00 34.95 32.94 1j2o s ARG 46 CO 0.12 -1.04 0.85 -1.17 -1.08 0.00 0.00 175.30 172.97 1j2o s LEU 47 N 1.75 4.13 -0.75 -1.89 2.96 -0.80 -4.86 118.68 119.22 1j2o s LEU 47 Ca 0.11 0.06 -0.23 0.00 -0.22 0.00 0.00 54.13 53.85 1j2o s LEU 47 Cb -0.18 -3.07 0.07 0.00 0.50 0.00 0.00 46.19 43.51 1j2o s LEU 47 CO -0.27 -0.95 1.10 -0.31 -1.32 0.00 0.00 176.35 174.60 1j2o s TYR 48 N 3.46 2.64 0.34 5.38 1.51 -1.26 0.25 117.35 129.67 1j2o s TYR 48 Ca 0.33 -0.60 -0.15 0.00 -1.01 0.00 0.00 57.07 55.65 1j2o s TYR 48 Cb -0.11 -4.40 -0.09 0.00 -0.11 0.00 0.00 41.96 37.25 1j2o s TYR 48 CO 0.23 -1.74 0.76 1.52 -1.11 0.00 0.00 175.55 175.21 1j2o s TYR 49 N 4.30 3.38 0.39 2.71 1.13 -1.22 -4.38 117.35 123.65 1j2o s TYR 49 Ca 0.29 1.23 -0.05 0.00 -1.41 0.00 0.00 57.07 57.12 1j2o s TYR 49 Cb -0.12 -2.55 -0.05 0.00 -1.10 0.00 0.00 41.96 38.14 1j2o s TYR 49 CO 0.06 0.05 0.68 0.21 -2.51 0.00 0.00 175.55 174.05 1j2o s LYS 50 N -3.11 3.61 0.00 -3.49 2.47 0.17 -4.63 119.74 114.78 1j2o s LYS 50 Ca 0.55 0.13 -0.01 0.00 -1.56 0.00 0.00 55.97 55.08 1j2o s LYS 50 Cb -0.10 -2.50 -0.00 0.00 -1.46 0.00 0.00 37.83 33.77 1j2o s LYS 50 CO 0.19 0.00 0.04 1.47 0.16 0.00 0.00 175.35 177.21 1j2o n LEU 51 N -1.61 -0.03 -0.63 5.43 -0.00 -1.26 -0.41 117.00 118.50 1j2o n LEU 51 Ca -0.00 0.04 0.05 0.00 -0.00 0.00 0.00 56.01 56.10 1j2o n LEU 51 Cb 0.55 -0.01 0.09 0.00 -0.00 0.00 0.00 43.42 44.05 1j2o n LEU 51 CO 0.50 -0.04 0.32 0.61 -0.00 0.00 0.00 177.39 178.78 1j2o n GLY 52 N -1.01 2.78 2.64 1.47 0.00 -1.26 -4.99 105.19 104.82 1j2o n GLY 52 Ca 0.00 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.46 0.23 -0.41 1.61 0.52 0.45 -5.11 118.95 114.78 1j2o s ARG 53 Ca 0.24 -0.21 -0.25 0.00 -0.52 0.00 0.00 55.73 54.99 1j2o s ARG 53 Cb 0.24 -1.86 0.02 0.00 0.52 0.00 0.00 34.95 33.87 1j2o s ARG 53 CO -0.05 -0.69 0.92 -1.59 0.02 0.00 0.00 175.30 173.91 1j2o s LYS 54 N 2.06 3.70 0.30 3.54 -2.85 -1.26 0.46 119.74 125.69 1j2o s LYS 54 Ca 0.02 0.38 -0.06 0.00 -1.00 0.00 0.00 55.97 55.31 1j2o s LYS 54 Cb -0.16 -3.86 -0.00 0.00 -2.06 0.00 0.00 37.83 31.75 1j2o s LYS 54 CO -0.11 -1.06 0.45 -0.48 0.10 0.00 0.00 175.35 174.25 1j2o s LEU 55 N 3.57 0.77 0.69 2.77 2.34 -1.26 -0.83 118.68 126.73 1j2o s LEU 55 Ca 0.37 -1.29 -0.15 0.00 0.06 0.00 0.00 54.13 53.13 1j2o s LEU 55 Cb -0.11 1.49 0.02 0.00 -0.56 0.00 0.00 46.19 47.03 1j2o s LEU 55 CO 0.22 -1.21 1.16 0.00 -1.06 0.00 0.00 176.35 175.45 1j2o h ARG 57 N -0.11 0.00 -0.02 0.00 9.65 -1.89 -0.32 114.38 121.68 1j2o h ARG 57 Ca -0.47 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.19 1j2o h ARG 57 Cb 1.27 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 1j2o h ARG 57 CO 0.52 0.45 -0.89 0.00 2.80 0.00 0.00 179.97 182.85 1j2o h ARG 58 N 0.00 0.41 0.00 0.20 2.47 -1.94 0.14 114.38 115.67 1j2o h ARG 58 Ca -0.00 -0.42 -0.10 0.00 -1.26 0.00 0.00 59.98 58.20 1j2o h ARG 58 Cb 0.97 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.39 1j2o h ARG 58 CO 0.06 1.08 -1.42 -0.40 0.56 0.00 0.00 179.97 179.84 1j2o n ASP 59 N -3.77 0.69 0.21 7.04 5.75 -1.21 -3.05 116.55 122.21 1j2o n ASP 59 Ca -0.06 0.29 0.07 0.00 -0.01 0.00 0.00 54.79 55.08 1j2o n ASP 59 Cb 0.80 0.55 0.44 0.00 -1.03 0.00 0.00 41.12 41.89 1j2o n ASP 59 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1j2o h TYR 60 N 0.00 0.00 -0.03 2.11 5.03 -1.08 -3.03 116.97 119.97 1j2o h TYR 60 Ca -0.11 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.20 1j2o h TYR 60 Cb 1.36 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.64 1j2o h TYR 60 CO 0.00 0.30 0.09 1.25 -1.32 0.00 0.00 178.16 178.49 1j2o h LEU 61 N 0.00 0.00 -1.86 2.82 5.85 -0.62 0.87 115.31 122.37 1j2o h LEU 61 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1j2o h LEU 61 Cb 0.70 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1j2o h LEU 61 CO 0.04 0.00 -0.08 0.03 -0.34 0.00 0.00 178.44 178.09 1j2o h ARG 62 N 0.00 0.00 0.00 1.25 2.47 -1.70 -1.10 114.38 115.30 1j2o h ARG 62 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1j2o h ARG 62 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1j2o h ARG 62 CO -0.00 0.08 -0.00 1.47 0.56 0.00 0.00 179.97 182.07 1j2o n LEU 63 N -4.43 1.16 0.00 3.04 -0.00 0.21 -4.68 117.00 112.30 1j2o n LEU 63 Ca -0.03 -1.18 0.00 0.00 -0.00 0.00 0.00 56.01 54.81 1j2o n LEU 63 Cb 0.16 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.57 1j2o n LEU 63 CO 0.35 0.29 0.08 0.61 -0.00 0.00 0.00 177.39 178.73 1j2o n GLY 64 N -0.30 -0.33 1.74 1.47 0.00 0.28 -4.30 105.19 103.75 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 0.00 1.67 2.45 -0.02 0.00 0.23 -4.02 105.19 105.49 1j2o n GLY 65 Ca 0.00 -0.03 -0.13 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 1.76 -0.57 0.00 1.61 7.64 -1.26 -2.85 113.62 119.96 1j2o n SER 66 Ca 0.01 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.50 1j2o n SER 66 Cb 0.30 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 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 -0.67 4.06 6.51 0.23 0.00 -1.04 -4.45 105.19 109.83 1j2o n GLY 67 Ca 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 0.63 0.16 -0.02 0.00 0.06 -1.63 105.19 104.38 1j2o n GLY 68 Ca 0.00 0.52 -0.09 0.00 0.00 0.00 0.00 46.02 46.45 1j2o n GLY 68 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1j2o h HIS 69 N 0.00 0.45 0.00 1.61 6.17 -1.92 -2.43 115.15 119.03 1j2o h HIS 69 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.03 1j2o h HIS 69 Cb 0.00 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 29.78 1j2o h HIS 69 CO 0.00 0.31 -0.24 0.52 0.71 0.00 0.00 177.93 179.23 1j2o h MET 70 N 0.45 0.00 0.00 5.26 2.86 -1.86 -3.49 114.93 118.14 1j2o h MET 70 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1j2o h MET 70 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1j2o h MET 70 CO -0.02 0.24 0.00 0.41 1.06 0.00 0.00 176.91 178.59 1j2o n GLY 71 N 0.09 0.38 3.64 8.32 0.00 -0.92 -5.03 105.19 111.67 1j2o n GLY 71 Ca -0.00 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 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 -4.00 6.88 -0.10 1.61 0.01 -1.26 -0.76 113.70 116.08 1j2o s SER 72 Ca 0.00 1.07 0.20 0.00 1.31 0.00 0.00 55.95 58.53 1j2o s SER 72 Cb 0.00 -2.54 -0.30 0.00 0.21 0.00 0.00 66.02 63.39 1j2o s SER 72 CO 0.00 -0.92 0.31 0.61 0.41 0.00 0.00 173.24 173.65 1j2o n GLY 73 N 3.97 -0.98 2.72 3.44 0.00 0.17 -4.89 105.19 109.61 1j2o n GLY 73 Ca 0.12 -0.44 0.02 0.00 0.00 0.00 0.00 46.02 45.73 1j2o n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j2o s GLY 74 N -4.87 -1.55 -0.85 -0.02 0.00 0.44 -4.86 107.32 95.61 1j2o s GLY 74 Ca -0.09 1.50 -0.24 0.00 0.00 0.00 0.00 44.72 45.90 1j2o s GLY 74 CO 0.86 4.40 1.27 -0.35 0.00 0.00 0.00 173.10 179.28 1j2o s ASP 75 N 2.04 6.34 0.10 1.64 -1.08 -1.26 -3.43 116.67 121.01 1j2o s ASP 75 Ca 0.15 -1.09 0.02 0.00 -0.52 0.00 0.00 52.55 51.11 1j2o s ASP 75 Cb 0.04 -2.52 -0.04 0.00 -1.46 0.00 0.00 42.92 38.94 1j2o s ASP 75 CO -0.16 -1.56 -0.07 0.68 0.52 0.00 0.00 175.17 174.58 1j2o s VAL 76 N 4.82 0.69 0.07 1.11 -7.23 -1.26 -5.05 120.40 113.54 1j2o s VAL 76 Ca 0.36 -1.90 -0.30 0.00 -1.81 0.00 0.00 61.98 58.33 1j2o s VAL 76 Cb -0.06 -1.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 1j2o s VAL 76 CO 0.02 -0.85 1.06 -0.04 -0.31 0.00 0.00 175.10 174.98 1j2o s MET 77 N -3.74 4.55 -0.36 4.82 -1.94 -1.26 -4.40 119.30 116.96 1j2o s MET 77 Ca 0.11 1.57 -0.14 0.00 -1.71 0.00 0.00 55.69 55.52 1j2o s MET 77 Cb 0.05 -3.38 0.02 0.00 2.01 0.00 0.00 34.83 33.52 1j2o s MET 77 CO -0.05 -0.04 0.39 0.28 -0.01 0.00 0.00 175.02 175.60 1j2o n VAL 78 N 3.47 -9.40 0.25 -6.03 0.31 -1.26 -4.96 118.33 100.71 1j2o n VAL 78 Ca 0.06 0.99 0.09 0.00 -0.01 0.00 0.00 64.34 65.47 1j2o n VAL 78 Cb 0.49 -6.22 -0.13 0.00 -0.91 0.00 0.00 33.84 27.07 1j2o n VAL 78 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1j2o n VAL 79 N 0.14 0.00 0.00 2.52 0.31 -1.26 -5.05 118.33 114.99 1j2o n VAL 79 Ca 0.04 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1j2o n VAL 79 Cb 0.38 0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.67 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 1.44 2.56 0.72 2.92 0.00 -1.26 -5.07 105.19 106.50 1j2o n GLY 80 Ca -0.01 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 45.13 1j2o n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j2o n GLU 81 N 0.13 -1.75 -1.64 1.61 -0.58 -1.26 -4.87 120.64 112.27 1j2o n GLU 81 Ca 0.00 1.41 -0.41 0.00 -0.42 0.00 0.00 57.16 57.74 1j2o n GLU 81 Cb 0.00 -1.91 0.02 0.00 -0.57 0.00 0.00 31.44 28.98 1j2o n GLU 81 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1j2o n PRO 82 N -2.76 1.46 -3.98 3.49 -0.04 -1.26 -4.98 135.00 126.93 1j2o n PRO 82 Ca -0.03 0.53 -0.34 0.00 -0.04 0.00 0.00 63.50 63.61 1j2o n PRO 82 Cb 0.30 -2.17 -0.06 0.00 -0.04 0.00 0.00 33.50 31.53 1j2o n PRO 82 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1j2o s THR 83 N -1.29 5.19 0.62 0.52 -4.23 -1.26 -5.11 115.64 110.09 1j2o s THR 83 Ca 0.64 -0.14 -0.10 0.00 -1.18 0.00 0.00 61.69 60.92 1j2o s THR 83 Cb -0.52 -3.35 0.14 0.00 1.34 0.00 0.00 72.50 70.11 1j2o s THR 83 CO 0.56 0.43 0.85 0.18 -0.54 0.00 0.00 174.62 176.09 1j2o n LEU 84 N 1.36 0.00 -0.35 4.79 4.77 -1.26 -4.94 117.00 121.36 1j2o n LEU 84 Ca -0.14 -1.00 0.07 0.00 -0.03 0.00 0.00 56.01 54.90 1j2o n LEU 84 Cb 0.53 -0.64 0.23 0.00 -2.33 0.00 0.00 43.42 41.21 1j2o n LEU 84 CO 0.38 -1.09 1.22 -0.03 -1.33 0.00 0.00 177.39 176.54 1j2o h MET 85 N 0.00 0.95 -5.75 3.23 1.85 -1.97 -3.37 114.93 109.87 1j2o h MET 85 Ca -0.27 -0.06 -0.60 0.00 -0.61 0.00 0.00 59.70 58.16 1j2o h MET 85 Cb 0.78 -0.21 -0.08 0.00 0.43 0.00 0.00 31.60 32.52 1j2o h MET 85 CO 0.20 0.63 -0.24 0.20 -0.40 0.00 0.00 176.91 177.30 1j2o s GLY 86 N -3.47 2.35 0.28 1.39 0.00 -1.26 -4.90 107.32 101.72 1j2o s GLY 86 Ca -0.12 -0.31 -0.19 0.00 0.00 0.00 0.00 44.72 44.10 1j2o s GLY 86 CO 0.81 0.38 0.77 -0.32 0.00 0.00 0.00 173.10 174.74 1j2o s GLY 87 N -0.11 2.52 0.03 0.20 0.00 -1.26 -4.56 107.32 104.14 1j2o s GLY 87 Ca 0.22 0.18 0.00 0.00 0.00 0.00 0.00 44.72 45.12 1j2o s GLY 87 CO 0.09 0.49 0.00 1.18 0.00 0.00 0.00 173.10 174.86 1j2o n GLU 88 N 0.23 -4.86 -4.96 2.90 1.02 -1.22 0.42 120.64 114.17 1j2o n GLU 88 Ca 0.01 3.55 -0.29 0.00 -0.02 0.00 0.00 57.16 60.41 1j2o n GLU 88 Cb 0.52 -4.38 -0.17 0.00 -0.02 0.00 0.00 31.44 27.39 1j2o n GLU 88 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1j2o s PHE 89 N -0.55 2.09 0.00 -0.32 0.40 -1.13 -1.25 117.98 117.22 1j2o s PHE 89 Ca 0.00 -0.81 0.00 0.00 -0.60 0.00 0.00 56.93 55.52 1j2o s PHE 89 Cb 0.00 -1.43 0.00 0.00 0.51 0.00 0.00 43.02 42.10 1j2o s PHE 89 CO 0.00 -0.34 0.00 0.41 0.70 0.00 0.00 175.22 175.99 1j2o n GLY 90 N 3.58 -1.63 0.00 4.36 0.00 -0.65 0.74 105.19 111.59 1j2o n GLY 90 Ca -0.20 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 0.14 1.61 5.68 -1.26 -4.58 116.55 118.14 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 -1.84 -1.33 0.00 0.00 177.20 174.03 1j2o n GLU 92 N 0.00 0.00 0.00 0.11 -0.00 -1.26 -3.95 120.64 115.54 1j2o n GLU 92 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1j2o n GLU 92 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1j2o n GLU 92 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1j2o n ASP 93 N -3.06 0.78 0.00 -1.84 2.03 -1.26 -4.84 116.55 108.36 1j2o n ASP 93 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1j2o n ASP 93 Cb 0.00 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 1j2o n ASP 93 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1j2o n GLU 94 N -1.64 0.00 -4.42 -0.67 0.00 -1.26 -4.72 120.64 107.93 1j2o n GLU 94 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.91 1j2o n GLU 94 Cb 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 31.44 31.37 1j2o n GLU 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1j2o s ARG 95 N 0.00 1.61 -0.08 5.31 3.52 -1.26 -5.14 118.95 122.91 1j2o s ARG 95 Ca 0.00 -0.36 0.03 0.00 -0.13 0.00 0.00 55.73 55.27 1j2o s ARG 95 Cb 0.00 -1.40 -0.02 0.00 -1.56 0.00 0.00 34.95 31.97 1j2o s ARG 95 CO 0.00 -0.04 -0.17 -0.48 -0.81 0.00 0.00 175.30 173.80 1j2o s LEU 96 N 0.89 2.52 0.38 -0.88 2.34 -1.26 -3.38 118.68 119.29 1j2o s LEU 96 Ca -0.10 -0.34 -0.12 0.00 0.06 0.00 0.00 54.13 53.62 1j2o s LEU 96 Cb -0.15 -1.52 -0.07 0.00 -0.56 0.00 0.00 46.19 43.89 1j2o s LEU 96 CO 0.01 0.25 0.77 -0.63 -1.06 0.00 0.00 176.35 175.68 1j2o s ILE 97 N -0.15 4.74 0.10 1.48 1.01 0.14 -4.82 121.20 123.70 1j2o s ILE 97 Ca -0.02 0.75 -0.10 0.00 0.00 0.00 0.00 60.65 61.28 1j2o s ILE 97 Cb -0.14 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1j2o s ILE 97 CO 0.04 -0.42 0.23 0.28 0.00 0.00 0.00 174.94 175.07 1j2o s THR 98 N -2.25 0.13 0.06 2.92 -1.32 -1.25 -1.91 115.64 112.02 1j2o s THR 98 Ca 0.52 -1.06 -0.29 0.00 -1.21 0.00 0.00 61.69 59.66 1j2o s THR 98 Cb -0.10 -1.31 -0.05 0.00 -1.51 0.00 0.00 72.50 69.53 1j2o s THR 98 CO 0.27 -0.58 0.92 -0.13 -2.21 0.00 0.00 174.62 172.89 1j2o s ARG 99 N -3.85 4.62 0.48 7.08 1.81 -1.26 -2.80 118.95 125.02 1j2o s ARG 99 Ca 0.05 1.36 0.02 0.00 -1.72 0.00 0.00 55.73 55.43 1j2o s ARG 99 Cb 0.04 -3.40 -0.01 0.00 -0.45 0.00 0.00 34.95 31.13 1j2o s ARG 99 CO -0.11 0.15 0.05 -1.17 -0.68 0.00 0.00 175.30 173.54 1j2o s LEU 100 N 0.29 2.17 -0.04 2.53 2.96 0.13 -4.97 118.68 121.74 1j2o s LEU 100 Ca 0.46 -1.68 0.06 0.00 -0.22 0.00 0.00 54.13 52.76 1j2o s LEU 100 Cb -0.22 -0.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.96 1j2o s LEU 100 CO 0.28 -0.90 -0.23 -1.83 -1.32 0.00 0.00 176.35 172.35 1j2o s GLU 101 N -3.81 2.36 0.47 1.98 -1.05 -1.26 -1.49 118.70 115.89 1j2o s GLU 101 Ca 0.11 -0.86 0.07 0.00 -0.15 0.00 0.00 54.97 54.14 1j2o s GLU 101 Cb 0.02 -2.17 -0.01 0.00 -0.44 0.00 0.00 34.13 31.53 1j2o s GLU 101 CO 0.07 0.52 0.32 1.21 0.95 0.00 0.00 175.26 178.33 1j2o s ASN 102 N -0.49 4.68 -0.35 0.83 2.47 0.10 -4.95 114.94 117.22 1j2o s ASN 102 Ca 0.06 -1.06 -0.04 0.00 0.42 0.00 0.00 52.86 52.24 1j2o s ASN 102 Cb -0.11 -0.14 0.07 0.00 -1.45 0.00 0.00 41.25 39.61 1j2o s ASN 102 CO 0.01 -0.80 0.11 0.42 -3.72 0.00 0.00 177.10 173.12 1j2o s THR 103 N -2.64 3.39 0.00 -5.21 -4.23 -1.26 -4.70 115.64 101.00 1j2o s THR 103 Ca 0.40 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1j2o s THR 103 Cb -0.01 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.77 1j2o s THR 103 CO 0.23 -0.34 0.00 0.00 -0.54 0.00 0.00 174.62 173.97 1j2o n GLN 104 N 4.69 1.08 -3.86 3.99 10.64 -1.26 -4.97 117.38 127.68 1j2o n GLN 104 Ca -0.09 -0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.78 1j2o n GLN 104 Cb 0.43 -0.09 -0.13 0.00 -0.86 0.00 0.00 30.24 29.58 1j2o n GLN 104 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1j2o s PHE 105 N -0.15 2.80 0.14 2.61 0.08 -1.26 -4.93 117.98 117.26 1j2o s PHE 105 Ca 0.00 -2.94 -0.09 0.00 0.12 0.00 0.00 56.93 54.02 1j2o s PHE 105 Cb 0.00 -2.49 -0.06 0.00 -0.57 0.00 0.00 43.02 39.91 1j2o s PHE 105 CO 0.00 -0.74 1.39 0.22 -0.10 0.00 0.00 175.22 175.99 1j2o h ASP 106 N 6.47 0.84 -4.74 1.36 1.82 -1.93 -3.48 116.42 116.76 1j2o h ASP 106 Ca -0.04 -0.50 -0.20 0.00 -0.39 0.00 0.00 57.03 55.91 1j2o h ASP 106 Cb 0.89 -0.25 0.14 0.00 0.68 0.00 0.00 39.33 40.80 1j2o h ASP 106 CO 0.62 1.28 -0.61 0.00 -1.61 0.00 0.00 179.24 178.92 1j2o n ALA 107 N -2.57 -1.81 -0.05 -0.78 0.00 -1.26 -4.96 120.51 109.09 1j2o n ALA 107 Ca -0.05 0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 1j2o n ALA 107 Cb 0.68 -3.65 -0.07 0.00 0.00 0.00 0.00 19.45 16.40 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 0.15 0.18 -0.83 0.00 0.00 -1.93 -3.30 119.26 113.53 1j2o h ALA 108 Ca -0.44 -0.27 -0.57 0.00 0.00 0.00 0.00 54.91 53.64 1j2o h ALA 108 Cb 1.23 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 18.57 1j2o h ALA 108 CO 0.33 -0.02 -0.61 -1.71 0.00 0.00 0.00 179.25 177.24 1j2o n ASN 109 N -4.67 5.24 0.00 0.00 5.15 -1.26 -5.07 115.26 114.65 1j2o n ASN 109 Ca -0.06 -3.75 0.00 0.00 -0.60 0.00 0.00 54.58 50.17 1j2o n ASN 109 Cb 0.29 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.12 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 -0.71 -1.17 0.24 8.20 0.00 -1.24 -4.41 105.19 106.09 1j2o n GLY 110 Ca 0.46 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.58 1j2o n GLY 110 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1j2o h ILE 111 N 0.00 0.27 -0.65 -0.61 2.04 -1.98 -3.28 117.51 113.30 1j2o h ILE 111 Ca 0.00 -0.95 -0.72 0.00 1.00 0.00 0.00 64.86 64.18 1j2o h ILE 111 Cb 0.00 1.76 -0.08 0.00 -0.74 0.00 0.00 36.82 37.76 1j2o h ILE 111 CO 0.00 0.12 2.77 -0.67 0.00 0.00 0.00 178.15 180.36 1j2o n ASP 112 N -3.22 5.74 -4.74 1.72 2.03 -1.26 -4.96 116.55 111.86 1j2o n ASP 112 Ca 0.01 -2.94 -0.31 0.00 0.52 0.00 0.00 54.79 52.08 1j2o n ASP 112 Cb 0.42 -1.53 0.12 0.00 -0.72 0.00 0.00 41.12 39.40 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 1.78 3.99 0.00 1.67 2.15 -1.24 -4.58 116.67 120.44 1j2o s ASP 113 Ca 0.49 1.82 0.25 0.00 0.43 0.00 0.00 52.55 55.55 1j2o s ASP 113 Cb 0.14 -2.46 0.50 0.00 -0.30 0.00 0.00 42.92 40.80 1j2o s ASP 113 CO -0.05 -2.36 1.44 1.21 -0.17 0.00 0.00 175.17 175.23