#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 7.19 -0.05 1.61 0.01 -1.26 -4.94 113.70 116.26 1j2o s SER 2 Ca 0.00 1.57 -0.05 0.00 1.31 0.00 0.00 55.95 58.78 1j2o s SER 2 Cb 0.00 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1j2o s SER 2 CO 0.00 -0.50 -0.11 0.18 0.41 0.00 0.00 173.24 173.23 1j2o n LEU 3 N 5.19 0.63 -4.88 2.44 4.77 -1.26 -5.04 117.00 118.85 1j2o n LEU 3 Ca 0.10 0.11 -0.23 0.00 -0.03 0.00 0.00 56.01 55.95 1j2o n LEU 3 Cb 0.48 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1j2o n LEU 3 CO 0.53 -0.44 -0.12 -0.76 -1.33 0.00 0.00 177.39 175.26 1j2o s LEU 4 N -5.96 4.04 -0.02 2.23 1.43 -1.26 -5.03 118.68 114.10 1j2o s LEU 4 Ca -0.09 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1j2o s LEU 4 Cb 0.01 -2.59 0.01 0.00 0.03 0.00 0.00 46.19 43.65 1j2o s LEU 4 CO 0.13 -0.02 -0.05 0.42 0.23 0.00 0.00 176.35 177.06 1j2o s THR 5 N -1.98 0.45 0.09 5.49 -4.23 -1.26 -1.11 115.64 113.09 1j2o s THR 5 Ca 0.33 -0.16 -0.25 0.00 -1.18 0.00 0.00 61.69 60.44 1j2o s THR 5 Cb -0.09 -0.44 -0.06 0.00 1.34 0.00 0.00 72.50 73.25 1j2o s THR 5 CO 0.26 0.17 0.75 0.00 -0.54 0.00 0.00 174.62 175.26 1j2o n GLY 7 N 2.04 -1.16 0.10 0.00 0.00 0.20 -0.53 105.19 105.85 1j2o n GLY 7 Ca -0.04 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1j2o n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2o n GLY 8 N -0.27 -0.86 0.11 -0.02 0.00 -1.26 -4.70 105.19 98.18 1j2o n GLY 8 Ca 0.02 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.39 -1.09 -0.41 0.00 -0.06 0.31 -4.83 117.38 106.91 1j2o n GLN 10 Ca -0.35 0.50 0.11 0.00 -2.00 0.00 0.00 57.00 55.25 1j2o n GLN 10 Cb 0.69 -4.43 0.32 0.00 -4.06 0.00 0.00 30.24 22.76 1j2o n GLN 10 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j2o n GLN 11 N -1.23 2.85 -0.75 3.69 10.64 -1.26 -4.93 117.38 126.38 1j2o n GLN 11 Ca -0.04 -2.62 0.00 0.00 -1.83 0.00 0.00 57.00 52.51 1j2o n GLN 11 Cb 0.33 -1.62 0.00 0.00 -0.86 0.00 0.00 30.24 28.09 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 1.51 -4.83 -4.50 2.61 2.85 -1.26 -4.83 115.26 106.82 1j2o n ASN 12 Ca 0.24 0.56 -0.42 0.00 -0.11 0.00 0.00 54.58 54.86 1j2o n ASN 12 Cb 0.66 -1.58 -0.03 0.00 1.24 0.00 0.00 39.78 40.06 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 -1.97 4.07 -1.67 -1.44 1.01 -0.26 -4.82 121.20 116.12 1j2o s ILE 13 Ca 0.00 -0.09 0.19 0.00 0.00 0.00 0.00 60.65 60.75 1j2o s ILE 13 Cb 0.00 -4.80 0.50 0.00 0.01 0.00 0.00 42.46 38.17 1j2o s ILE 13 CO 0.00 -1.64 1.41 0.61 0.00 0.00 0.00 174.94 175.32 1j2o n GLY 14 N 5.40 2.43 2.65 6.18 0.00 -1.26 -4.59 105.19 115.99 1j2o n GLY 14 Ca 0.01 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 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 1.24 -0.63 0.01 1.61 8.00 -1.26 -4.96 116.55 120.56 1j2o n ASP 15 Ca 0.19 -1.20 -0.04 0.00 0.71 0.00 0.00 54.79 54.45 1j2o n ASP 15 Cb 0.55 -0.72 -0.11 0.00 -0.02 0.00 0.00 41.12 40.82 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 -3.34 0.63 -3.96 -1.24 1.85 -1.26 -3.94 116.66 105.40 1j2o n ARG 16 Ca 0.11 0.26 -0.10 0.00 -1.00 0.00 0.00 57.85 57.13 1j2o n ARG 16 Cb 0.41 -1.80 -0.12 0.00 -1.05 0.00 0.00 32.46 29.90 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 -2.77 0.21 0.22 2.89 5.04 -1.26 -2.77 117.35 118.91 1j2o s TYR 17 Ca -0.04 -0.40 -0.05 0.00 -2.44 0.00 0.00 57.07 54.14 1j2o s TYR 17 Cb 0.08 -0.15 0.02 0.00 0.35 0.00 0.00 41.96 42.26 1j2o s TYR 17 CO 0.82 -0.14 0.38 1.97 -1.34 0.00 0.00 175.55 177.24 1j2o n PHE 18 N 1.95 -1.47 -4.29 4.97 -1.74 0.51 -4.38 117.46 113.01 1j2o n PHE 18 Ca -0.21 -1.19 -0.18 0.00 -0.56 0.00 0.00 57.45 55.31 1j2o n PHE 18 Cb 0.56 0.44 -0.13 0.00 1.52 0.00 0.00 39.48 41.87 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 2.13 -0.08 5.98 1.43 -1.24 -1.15 118.68 125.75 1j2o s LEU 19 Ca 0.12 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 1j2o s LEU 19 Cb -0.02 -0.47 0.07 0.00 0.03 0.00 0.00 46.19 45.81 1j2o s LEU 19 CO 0.09 0.02 0.71 -1.59 0.23 0.00 0.00 176.35 175.81 1j2o s LYS 20 N -0.89 1.00 0.00 1.70 0.00 -0.82 0.07 119.74 120.79 1j2o s LYS 20 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 55.97 56.29 1j2o s LYS 20 Cb -0.07 0.47 0.00 0.00 0.00 0.00 0.00 37.83 38.24 1j2o s LYS 20 CO 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 175.35 175.06 1j2o n ALA 21 N 1.06 0.00 -0.36 0.59 0.00 -1.21 -0.67 120.51 119.91 1j2o n ALA 21 Ca -0.18 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.23 1j2o n ALA 21 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.04 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 0.02 0.00 0.00 2.04 -1.95 -3.42 117.51 114.20 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 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 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 -5.44 0.00 -3.34 1.72 2.03 -1.26 -5.05 116.55 105.21 1j2o n ASP 23 Ca 0.08 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.21 1j2o n ASP 23 Cb 0.38 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.70 1j2o n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j2o s GLN 24 N 0.00 1.78 0.26 -0.67 0.00 -1.26 -5.16 119.66 114.61 1j2o s GLN 24 Ca 0.00 -1.97 -0.04 0.00 -0.00 0.00 0.00 55.36 53.35 1j2o s GLN 24 Cb 0.00 0.35 -0.05 0.00 0.00 0.00 0.00 33.01 33.31 1j2o s GLN 24 CO 0.00 -0.68 0.51 0.71 0.00 0.00 0.00 175.29 175.84 1j2o s TYR 25 N -3.37 3.47 0.00 9.60 2.02 -1.25 -3.31 117.35 124.52 1j2o s TYR 25 Ca 0.39 0.59 0.00 0.00 -0.37 0.00 0.00 57.07 57.68 1j2o s TYR 25 Cb 0.02 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.52 1j2o s TYR 25 CO 0.26 0.23 0.00 0.91 -1.57 0.00 0.00 175.55 175.38 1j2o n TRP 26 N -0.78 0.00 -4.04 2.71 7.02 0.11 -0.63 117.44 121.82 1j2o n TRP 26 Ca -0.02 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.21 1j2o n TRP 26 Cb 0.54 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.36 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 -0.97 2.53 0.19 -5.99 3.76 -1.26 -3.72 115.29 109.84 1j2o s HIS 27 Ca 0.00 -0.60 -0.09 0.00 -0.15 0.00 0.00 55.06 54.22 1j2o s HIS 27 Cb 0.00 -1.98 0.10 0.00 1.11 0.00 0.00 32.58 31.81 1j2o s HIS 27 CO 0.00 0.09 1.70 0.93 -0.85 0.00 0.00 174.74 176.61 1j2o h GLU 28 N 1.32 1.11 -0.11 1.40 5.08 -1.87 -3.20 114.58 118.31 1j2o h GLU 28 Ca -0.42 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 57.65 1j2o h GLU 28 Cb 1.26 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1j2o h GLU 28 CO 0.67 1.00 0.00 -3.47 -1.00 0.00 0.00 179.01 176.21 1j2o n ASP 29 N -4.24 2.75 -0.07 1.42 2.03 -1.26 -4.72 116.55 112.46 1j2o n ASP 29 Ca 0.05 -2.74 -0.22 0.00 0.52 0.00 0.00 54.79 52.40 1j2o n ASP 29 Cb 0.28 -0.35 -0.12 0.00 -0.72 0.00 0.00 41.12 40.20 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 -7.58 3.55 0.00 0.00 2.96 -1.26 -4.93 118.68 111.43 1j2o s LEU 31 Ca -0.27 1.52 0.05 0.00 -0.22 0.00 0.00 54.13 55.21 1j2o s LEU 31 Cb 0.06 -3.52 -0.02 0.00 0.50 0.00 0.00 46.19 43.21 1j2o s LEU 31 CO 0.65 -1.70 0.18 -1.54 -1.32 0.00 0.00 176.35 172.62 1j2o n SER 32 N 10.35 0.11 -4.53 3.68 3.41 -1.26 -4.84 113.62 120.54 1j2o n SER 32 Ca 0.24 -2.77 -0.47 0.00 -0.26 0.00 0.00 58.87 55.62 1j2o n SER 32 Cb 0.46 1.15 -0.05 0.00 -0.26 0.00 0.00 64.21 65.51 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 13.59 0.68 0.00 0.00 3.58 -1.90 -2.97 116.42 129.39 1j2o h ASP 34 Ca -0.35 -0.61 0.00 0.00 0.42 0.00 0.00 57.03 56.50 1j2o h ASP 34 Cb 1.28 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1j2o h ASP 34 CO 0.99 1.42 -0.06 0.25 -2.88 0.00 0.00 179.24 178.96 1j2o h LEU 35 N 0.23 0.00 0.18 2.28 5.85 -1.89 -3.43 115.31 118.53 1j2o h LEU 35 Ca -0.14 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1j2o h LEU 35 Cb 1.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.83 1j2o h LEU 35 CO 0.20 0.44 -0.09 0.00 -0.34 0.00 0.00 178.44 178.66 1j2o n GLY 37 N 1.09 1.38 0.00 0.00 0.00 -1.12 -5.06 105.19 101.48 1j2o n GLY 37 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.85 0.41 -1.46 0.00 3.52 -1.26 -3.46 118.95 117.55 1j2o s ARG 39 Ca 0.00 -0.20 -0.09 0.00 -0.13 0.00 0.00 55.73 55.32 1j2o s ARG 39 Cb 0.00 0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.52 1j2o s ARG 39 CO 0.00 -0.09 2.85 1.28 -0.81 0.00 0.00 175.30 178.53 1j2o n LEU 40 N 1.89 8.42 -1.40 -0.88 4.77 -1.26 -4.36 117.00 124.18 1j2o n LEU 40 Ca -0.20 -4.44 -0.07 0.00 -0.03 0.00 0.00 56.01 51.28 1j2o n LEU 40 Cb 0.56 -1.50 0.02 0.00 -2.33 0.00 0.00 43.42 40.18 1j2o n LEU 40 CO 0.21 2.05 0.07 0.61 -1.33 0.00 0.00 177.39 179.00 1j2o n GLY 41 N 3.03 0.51 5.38 -0.72 0.00 -1.26 -4.57 105.19 107.56 1j2o n GLY 41 Ca 0.73 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.80 0.00 -2.61 1.61 -0.58 -1.26 -4.61 120.64 111.39 1j2o n GLU 42 Ca -0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 1j2o n GLU 42 Cb 0.52 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.36 1j2o n GLU 42 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1j2o s VAL 43 N 0.00 4.58 -0.96 2.62 1.01 -1.26 -4.95 120.40 121.43 1j2o s VAL 43 Ca 0.00 1.85 -0.24 0.00 0.00 0.00 0.00 61.98 63.59 1j2o s VAL 43 Cb 0.00 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.21 1j2o s VAL 43 CO 0.00 0.13 1.60 -0.83 0.00 0.00 0.00 175.10 176.00 1j2o s GLY 44 N 1.06 0.88 -0.06 4.51 0.00 -1.26 -4.58 107.32 107.86 1j2o s GLY 44 Ca 0.54 -1.94 0.04 0.00 0.00 0.00 0.00 44.72 43.36 1j2o s GLY 44 CO 0.27 2.95 0.00 -2.13 0.00 0.00 0.00 173.10 174.20 1j2o n ARG 45 N 8.91 2.39 -3.86 2.90 0.63 -1.26 -3.32 116.66 123.05 1j2o n ARG 45 Ca 0.33 0.01 -0.28 0.00 -0.92 0.00 0.00 57.85 56.99 1j2o n ARG 45 Cb 0.50 -1.16 -0.12 0.00 0.45 0.00 0.00 32.46 32.13 1j2o n ARG 45 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1j2o s ARG 46 N -2.15 2.31 -0.25 -0.14 0.52 -1.26 -4.34 118.95 113.65 1j2o s ARG 46 Ca -0.05 -3.21 -0.00 0.00 -0.52 0.00 0.00 55.73 51.95 1j2o s ARG 46 Cb 0.02 -3.26 0.07 0.00 0.52 0.00 0.00 34.95 32.31 1j2o s ARG 46 CO 0.24 -1.28 0.02 -1.17 0.02 0.00 0.00 175.30 173.13 1j2o s LEU 47 N -1.27 2.23 -0.10 2.53 1.98 0.66 -4.25 118.68 120.46 1j2o s LEU 47 Ca 0.25 -1.27 0.02 0.00 -2.89 0.00 0.00 54.13 50.24 1j2o s LEU 47 Cb -0.05 -0.95 0.01 0.00 0.66 0.00 0.00 46.19 45.86 1j2o s LEU 47 CO -0.16 -0.32 -0.17 -0.72 -1.89 0.00 0.00 176.35 173.09 1j2o s TYR 48 N 1.56 2.07 0.11 5.38 -0.85 -1.26 -2.53 117.35 121.83 1j2o s TYR 48 Ca 0.01 -0.93 -0.13 0.00 -0.52 0.00 0.00 57.07 55.50 1j2o s TYR 48 Cb -0.18 -1.46 -0.06 0.00 0.38 0.00 0.00 41.96 40.64 1j2o s TYR 48 CO -0.12 -0.44 0.50 1.52 -1.52 0.00 0.00 175.55 175.48 1j2o s TYR 49 N 0.78 3.62 0.83 -3.49 1.13 -1.26 -4.01 117.35 114.96 1j2o s TYR 49 Ca -0.11 0.99 -0.12 0.00 -1.41 0.00 0.00 57.07 56.42 1j2o s TYR 49 Cb -0.16 -2.31 0.09 0.00 -1.10 0.00 0.00 41.96 38.49 1j2o s TYR 49 CO 0.01 0.48 1.15 0.15 -2.51 0.00 0.00 175.55 174.83 1j2o s LYS 50 N -1.85 1.77 0.24 -3.49 1.02 0.17 -4.90 119.74 112.70 1j2o s LYS 50 Ca 0.35 0.24 0.01 0.00 0.02 0.00 0.00 55.97 56.59 1j2o s LYS 50 Cb -0.15 -1.92 0.57 0.00 -0.52 0.00 0.00 37.83 35.81 1j2o s LYS 50 CO 0.18 -1.76 1.22 1.47 -0.92 0.00 0.00 175.35 175.54 1j2o n LEU 51 N -3.45 -0.11 -0.83 3.17 -0.00 -1.26 -2.05 117.00 112.46 1j2o n LEU 51 Ca 0.07 1.32 0.02 0.00 -0.00 0.00 0.00 56.01 57.42 1j2o n LEU 51 Cb 0.60 -0.47 0.02 0.00 -0.00 0.00 0.00 43.42 43.56 1j2o n LEU 51 CO 0.57 -1.33 0.20 0.61 -0.00 0.00 0.00 177.39 177.44 1j2o n GLY 52 N -1.40 0.99 2.71 1.47 0.00 -1.26 -5.03 105.19 102.66 1j2o n GLY 52 Ca 0.18 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.21 0.39 -0.94 1.61 0.52 -0.87 -5.03 118.95 114.42 1j2o s ARG 53 Ca 0.14 -0.04 -0.08 0.00 -0.52 0.00 0.00 55.73 55.23 1j2o s ARG 53 Cb 0.16 -1.42 -0.15 0.00 0.52 0.00 0.00 34.95 34.06 1j2o s ARG 53 CO -0.06 -0.49 3.21 0.36 0.02 0.00 0.00 175.30 178.34 1j2o n LYS 54 N 5.17 3.02 -2.69 3.54 2.85 -1.26 0.46 118.16 129.25 1j2o n LYS 54 Ca -0.07 -1.77 -0.22 0.00 -1.05 0.00 0.00 58.31 55.20 1j2o n LYS 54 Cb 0.49 -2.46 0.09 0.00 -0.65 0.00 0.00 35.03 32.50 1j2o n LYS 54 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1j2o s LEU 55 N -0.04 3.06 0.71 -5.58 2.34 -1.26 -4.47 118.68 113.44 1j2o s LEU 55 Ca 0.68 -0.41 -0.13 0.00 0.06 0.00 0.00 54.13 54.32 1j2o s LEU 55 Cb 0.24 -2.05 0.03 0.00 -0.56 0.00 0.00 46.19 43.84 1j2o s LEU 55 CO -0.04 -1.63 1.12 0.00 -1.06 0.00 0.00 176.35 174.74 1j2o n ARG 57 N -2.85 0.64 0.19 0.00 3.00 -1.26 -2.83 116.66 113.55 1j2o n ARG 57 Ca 0.10 0.31 0.07 0.00 -0.00 0.00 0.00 57.85 58.33 1j2o n ARG 57 Cb 0.52 -1.61 0.25 0.00 0.00 0.00 0.00 32.46 31.62 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 -0.49 0.00 0.00 -0.14 2.47 -1.93 -2.13 114.38 112.16 1j2o h ARG 58 Ca -0.52 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 57.96 1j2o h ARG 58 Cb 1.72 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 30.00 1j2o h ARG 58 CO -0.17 0.33 -1.37 -0.44 0.56 0.00 0.00 179.97 178.89 1j2o h ASP 59 N 0.00 0.00 -0.29 7.04 3.32 -1.95 -3.09 116.42 121.44 1j2o h ASP 59 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1j2o h ASP 59 Cb 1.04 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1j2o h ASP 59 CO 0.04 0.91 0.14 0.22 -1.72 0.00 0.00 179.24 178.83 1j2o h TYR 60 N 0.00 0.46 0.00 4.55 5.03 -1.36 -1.96 116.97 123.68 1j2o h TYR 60 Ca -0.17 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.13 1j2o h TYR 60 Cb 1.84 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 39.97 1j2o h TYR 60 CO 0.00 0.36 -0.01 1.25 -1.32 0.00 0.00 178.16 178.44 1j2o h LEU 61 N 0.47 0.00 -1.78 2.82 6.46 -1.30 0.41 115.31 122.39 1j2o h LEU 61 Ca 0.12 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.85 1j2o h LEU 61 Cb 0.09 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.01 1j2o h LEU 61 CO -0.01 0.01 -0.15 0.03 -0.62 0.00 0.00 178.44 177.69 1j2o h ARG 62 N 0.00 0.00 0.00 1.25 2.47 -1.46 -0.90 114.38 115.74 1j2o h ARG 62 Ca -0.00 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 1j2o h ARG 62 Cb 0.10 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1j2o h ARG 62 CO 0.00 0.15 -1.26 1.47 0.56 0.00 0.00 179.97 180.89 1j2o n LEU 63 N -3.73 2.65 -0.00 3.04 -0.00 -0.29 -4.03 117.00 114.64 1j2o n LEU 63 Ca -0.02 -0.02 0.09 0.00 -0.00 0.00 0.00 56.01 56.06 1j2o n LEU 63 Cb 0.26 -0.13 -0.11 0.00 -0.00 0.00 0.00 43.42 43.44 1j2o n LEU 63 CO 0.32 0.52 -0.07 0.61 -0.00 0.00 0.00 177.39 178.77 1j2o n GLY 64 N 3.22 -0.81 2.19 1.47 0.00 0.13 -4.38 105.19 107.01 1j2o n GLY 64 Ca -0.08 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 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 1.45 6.20 3.02 -0.02 0.00 -0.45 -4.16 105.19 111.24 1j2o n GLY 65 Ca 0.03 -2.59 -0.17 0.00 0.00 0.00 0.00 46.02 43.29 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 -0.73 -0.39 -2.52 1.61 7.64 -1.23 -2.20 113.62 115.80 1j2o n SER 66 Ca 0.48 -0.56 -0.12 0.00 1.01 0.00 0.00 58.87 59.68 1j2o n SER 66 Cb 0.83 -0.71 -0.02 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.08 -0.10 3.15 0.23 0.00 -0.59 0.14 105.19 106.94 1j2o n GLY 67 Ca -0.02 0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.82 -0.52 0.39 -0.02 0.00 -0.93 -4.92 105.19 98.36 1j2o n GLY 68 Ca 0.01 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 1j2o n GLY 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1j2o h HIS 69 N -1.52 -0.91 0.00 1.61 3.86 -0.57 -3.28 115.15 114.34 1j2o h HIS 69 Ca -0.53 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.66 1j2o h HIS 69 Cb 1.36 0.30 0.00 0.00 1.06 0.00 0.00 27.41 30.13 1j2o h HIS 69 CO 0.54 -0.56 -1.28 -1.33 0.86 0.00 0.00 177.93 176.17 1j2o n MET 70 N -4.65 0.36 0.00 2.45 2.81 -1.26 -4.95 117.12 111.87 1j2o n MET 70 Ca -0.12 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 1j2o n MET 70 Cb 0.38 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 1j2o n MET 70 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j2o n GLY 71 N 1.35 2.20 3.99 3.03 0.00 -1.24 -5.05 105.19 109.48 1j2o n GLY 71 Ca 0.01 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 0.32 4.25 0.00 1.61 0.01 -1.26 -4.64 113.70 114.00 1j2o s SER 72 Ca 0.00 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1j2o s SER 72 Cb 0.00 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1j2o s SER 72 CO 0.00 -1.93 0.00 0.61 0.41 0.00 0.00 173.24 172.33 1j2o n GLY 73 N -2.88 -0.99 0.00 3.44 0.00 -1.00 -4.69 105.19 99.08 1j2o n GLY 73 Ca 0.16 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 3.53 3.69 -0.02 0.00 -1.23 -0.10 105.19 111.06 1j2o n GLY 74 Ca 0.00 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.14 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 6.44 -0.68 1.61 2.15 -1.26 -4.47 116.67 120.46 1j2o s ASP 75 Ca 0.00 0.52 -0.26 0.00 0.43 0.00 0.00 52.55 53.23 1j2o s ASP 75 Cb 0.00 -2.21 -0.01 0.00 -0.30 0.00 0.00 42.92 40.39 1j2o s ASP 75 CO 0.00 -0.01 1.74 -0.69 -0.17 0.00 0.00 175.17 176.04 1j2o s VAL 76 N 0.99 3.45 0.48 1.11 1.01 -1.25 -4.69 120.40 121.49 1j2o s VAL 76 Ca 0.18 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.17 1j2o s VAL 76 Cb -0.14 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 31.98 1j2o s VAL 76 CO 0.07 -1.14 0.91 -0.04 0.00 0.00 0.00 175.10 174.90 1j2o s MET 77 N 6.71 3.90 0.34 2.72 1.00 0.24 -4.93 119.30 129.29 1j2o s MET 77 Ca 0.60 0.80 0.26 0.00 0.00 0.00 0.00 55.69 57.35 1j2o s MET 77 Cb -0.11 -2.22 1.18 0.00 0.00 0.00 0.00 34.83 33.68 1j2o s MET 77 CO 0.16 -0.19 1.77 -0.39 0.00 0.00 0.00 175.02 176.38 1j2o h VAL 78 N 1.01 0.00 0.00 -6.03 -1.51 -1.93 -2.35 116.25 105.45 1j2o h VAL 78 Ca -0.47 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1j2o h VAL 78 Cb 1.18 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1j2o h VAL 78 CO 0.62 0.00 0.00 1.33 -1.23 0.00 0.00 177.57 178.29 1j2o n VAL 79 N -2.40 0.00 -2.74 7.19 0.24 -1.26 -4.79 118.33 114.57 1j2o n VAL 79 Ca 0.01 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.25 1j2o n VAL 79 Cb 0.17 -0.27 0.02 0.00 -1.47 0.00 0.00 33.84 32.29 1j2o n VAL 79 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j2o n GLY 80 N 0.23 0.57 3.10 7.63 0.00 -0.90 -5.02 105.19 110.79 1j2o n GLY 80 Ca 0.00 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 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 -5.27 1.96 0.00 1.61 2.02 -1.09 -4.99 118.70 112.94 1j2o s GLU 81 Ca 0.14 -1.89 0.00 0.00 0.02 0.00 0.00 54.97 53.23 1j2o s GLU 81 Cb -0.06 -3.53 0.00 0.00 0.10 0.00 0.00 34.13 30.64 1j2o s GLU 81 CO 0.17 -1.06 0.00 -0.35 0.02 0.00 0.00 175.26 174.04 1j2o n PRO 82 N 4.44 3.50 -1.65 0.39 -0.04 -1.26 -0.59 135.00 139.78 1j2o n PRO 82 Ca -0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.03 1j2o n PRO 82 Cb 0.41 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.84 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 1.77 3.02 -0.05 0.52 -4.23 -1.26 -4.62 115.64 110.79 1j2o s THR 83 Ca 0.00 0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.23 1j2o s THR 83 Cb 0.00 -3.02 -0.02 0.00 1.34 0.00 0.00 72.50 70.80 1j2o s THR 83 CO 0.00 -0.01 1.02 -0.76 -0.54 0.00 0.00 174.62 174.33 1j2o s LEU 84 N 5.76 4.30 0.00 4.79 1.02 0.86 -4.84 118.68 130.56 1j2o s LEU 84 Ca 0.92 1.62 0.10 0.00 0.02 0.00 0.00 54.13 56.80 1j2o s LEU 84 Cb -0.39 -3.56 0.58 0.00 0.02 0.00 0.00 46.19 42.84 1j2o s LEU 84 CO 0.39 -0.39 1.38 0.80 0.02 0.00 0.00 176.35 178.56 1j2o n MET 85 N 4.56 1.05 0.00 1.70 1.56 -1.26 -2.39 117.12 122.34 1j2o n MET 85 Ca 0.08 -0.08 0.13 0.00 -0.27 0.00 0.00 57.70 57.56 1j2o n MET 85 Cb 0.49 -1.17 0.34 0.00 2.15 0.00 0.00 33.22 35.03 1j2o n MET 85 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1j2o n GLY 86 N 0.68 0.36 1.78 -5.12 0.00 -1.26 -4.87 105.19 96.77 1j2o n GLY 86 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 1.26 0.97 3.58 -0.02 0.00 -1.17 -5.00 105.19 104.80 1j2o n GLY 87 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.41 3.45 0.00 1.61 8.01 -1.26 -4.61 118.70 125.49 1j2o s GLU 88 Ca 0.00 0.23 0.00 0.00 0.01 0.00 0.00 54.97 55.21 1j2o s GLU 88 Cb 0.00 -4.05 0.00 0.00 -4.31 0.00 0.00 34.13 25.77 1j2o s GLU 88 CO 0.00 -1.78 0.00 1.19 0.01 0.00 0.00 175.26 174.68 1j2o n PHE 89 N 8.73 -2.02 -0.24 1.61 3.72 -1.26 -3.56 117.46 124.44 1j2o n PHE 89 Ca 0.08 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.43 1j2o n PHE 89 Cb 0.49 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.05 1j2o n PHE 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j2o n GLY 90 N 5.00 2.90 0.00 1.37 0.00 -1.26 -4.32 105.19 108.88 1j2o n GLY 90 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.77 0.00 0.04 1.61 5.75 -1.26 -4.85 116.55 118.61 1j2o n ASP 91 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 1j2o n ASP 91 Cb 0.59 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 1j2o n ASP 91 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1j2o n GLU 92 N 0.00 0.00 0.00 0.11 -0.00 -1.26 -5.01 120.64 114.48 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 -2.42 0.00 -1.57 -1.84 2.03 -1.26 -5.07 116.55 106.43 1j2o n ASP 93 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1j2o n ASP 93 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 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 -0.98 -1.55 0.00 -0.67 2.13 -1.26 -5.09 120.64 113.22 1j2o n GLU 94 Ca 0.00 1.48 0.00 0.00 0.66 0.00 0.00 57.16 59.30 1j2o n GLU 94 Cb 0.00 -1.97 0.00 0.00 0.27 0.00 0.00 31.44 29.74 1j2o n GLU 94 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1j2o n ARG 95 N 0.55 3.51 0.00 5.31 0.63 -1.17 -4.80 116.66 120.69 1j2o n ARG 95 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 1j2o n ARG 95 Cb 0.08 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.99 1j2o n ARG 95 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1j2o n LEU 96 N 0.00 0.00 -3.85 6.15 -0.00 -1.05 -0.24 117.00 118.01 1j2o n LEU 96 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 1j2o n LEU 96 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 1j2o n LEU 96 CO 0.00 0.00 -0.36 -0.63 -0.00 0.00 0.00 177.39 176.40 1j2o s ILE 97 N 0.52 0.06 -0.21 1.47 1.01 -1.21 -4.49 121.20 118.35 1j2o s ILE 97 Ca 0.00 0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.48 1j2o s ILE 97 Cb 0.00 -0.10 -0.02 0.00 0.01 0.00 0.00 42.46 42.35 1j2o s ILE 97 CO 0.00 0.05 0.65 -0.89 0.00 0.00 0.00 174.94 174.75 1j2o s THR 98 N 0.38 5.00 -0.61 2.92 2.01 0.15 -4.86 115.64 120.62 1j2o s THR 98 Ca -0.03 1.22 -0.27 0.00 0.31 0.00 0.00 61.69 62.91 1j2o s THR 98 Cb -0.05 -3.96 0.03 0.00 0.01 0.00 0.00 72.50 68.53 1j2o s THR 98 CO -0.01 0.08 1.17 -0.13 -0.69 0.00 0.00 174.62 175.04 1j2o s ARG 99 N 2.09 3.41 0.17 4.92 1.81 -1.26 -1.95 118.95 128.14 1j2o s ARG 99 Ca 0.29 0.05 0.01 0.00 -1.72 0.00 0.00 55.73 54.36 1j2o s ARG 99 Cb -0.16 -4.06 -0.00 0.00 -0.45 0.00 0.00 34.95 30.28 1j2o s ARG 99 CO 0.10 -1.76 0.03 -0.11 -0.68 0.00 0.00 175.30 172.88 1j2o n LEU 100 N 8.50 0.00 -4.08 2.53 7.94 -0.30 -5.00 117.00 126.58 1j2o n LEU 100 Ca 0.06 -1.22 -0.17 0.00 -1.11 0.00 0.00 56.01 53.57 1j2o n LEU 100 Cb 0.49 0.29 -0.13 0.00 0.53 0.00 0.00 43.42 44.60 1j2o n LEU 100 CO 0.70 -0.18 -0.43 -1.83 -1.11 0.00 0.00 177.39 174.54 1j2o s GLU 101 N -2.65 0.70 -0.14 1.96 -1.05 -1.26 -0.36 118.70 115.90 1j2o s GLU 101 Ca 0.05 -0.64 -0.22 0.00 -0.15 0.00 0.00 54.97 54.01 1j2o s GLU 101 Cb 0.00 -0.63 -0.25 0.00 -0.44 0.00 0.00 34.13 32.82 1j2o s GLU 101 CO 0.03 0.15 0.55 -0.97 0.95 0.00 0.00 175.26 175.97 1j2o h ASN 102 N 5.01 0.17 0.00 0.83 -1.24 -1.70 -3.45 115.58 115.20 1j2o h ASN 102 Ca -0.35 -0.81 0.00 0.00 0.71 0.00 0.00 56.30 55.85 1j2o h ASN 102 Cb 1.19 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.18 1j2o h ASN 102 CO 0.44 1.38 0.00 0.41 -1.29 0.00 0.00 177.43 178.37 1j2o n THR 103 N -4.29 0.00 -2.89 -3.57 -1.04 -1.25 -5.04 114.28 96.20 1j2o n THR 103 Ca -0.22 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1j2o n THR 103 Cb 0.71 -0.03 0.01 0.00 -1.82 0.00 0.00 70.33 69.19 1j2o n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j2o s GLN 104 N 0.12 0.53 -0.49 -2.82 -2.07 -1.26 -4.89 119.66 108.77 1j2o s GLN 104 Ca 0.00 -0.31 0.07 0.00 -1.82 0.00 0.00 55.36 53.30 1j2o s GLN 104 Cb 0.00 0.03 0.25 0.00 -1.09 0.00 0.00 33.01 32.19 1j2o s GLN 104 CO 0.00 -0.72 0.60 0.34 -1.32 0.00 0.00 175.29 174.19 1j2o n PHE 105 N 3.61 1.24 0.05 9.60 -0.00 -1.26 -4.84 117.46 125.85 1j2o n PHE 105 Ca 0.10 -3.80 0.00 0.00 -0.00 0.00 0.00 57.45 53.75 1j2o n PHE 105 Cb 0.60 -0.42 0.00 0.00 -0.00 0.00 0.00 39.48 39.67 1j2o n PHE 105 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1j2o n ASP 106 N 1.25 0.52 -1.85 -2.13 -0.08 -1.26 -4.97 116.55 108.02 1j2o n ASP 106 Ca 0.25 0.15 -0.15 0.00 -1.51 0.00 0.00 54.79 53.52 1j2o n ASP 106 Cb 0.48 -0.10 0.00 0.00 2.34 0.00 0.00 41.12 43.84 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 -3.28 -0.51 -1.91 -1.67 0.00 -1.26 -2.22 120.51 109.66 1j2o n ALA 107 Ca 0.00 0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.38 1j2o n ALA 107 Cb 0.13 -2.01 -0.05 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 n ALA 108 N -2.03 -0.42 0.34 0.00 0.00 -1.26 -4.82 120.51 112.32 1j2o n ALA 108 Ca -0.16 0.25 0.04 0.00 0.00 0.00 0.00 53.44 53.57 1j2o n ALA 108 Cb 0.63 -2.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.03 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 -1.45 0.91 0.00 0.00 2.85 -0.94 -4.86 115.26 111.77 1j2o n ASN 109 Ca -0.21 -0.95 0.00 0.00 -0.11 0.00 0.00 54.58 53.30 1j2o n ASN 109 Cb 0.66 0.58 0.00 0.00 1.24 0.00 0.00 39.78 42.26 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 0.88 0.02 1.28 8.20 0.00 -1.25 -5.05 105.19 109.26 1j2o n GLY 110 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.73 0.87 -3.64 -0.61 -0.00 -1.26 -5.12 119.36 107.87 1j2o n ILE 111 Ca 0.00 0.29 -0.09 0.00 -0.00 0.00 0.00 62.75 62.94 1j2o n ILE 111 Cb 0.00 -1.28 -0.07 0.00 -0.00 0.00 0.00 39.64 38.29 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 -5.68 -0.52 -0.14 4.38 -1.08 -1.26 -4.95 116.67 107.42 1j2o s ASP 112 Ca 0.00 0.99 -0.29 0.00 -0.52 0.00 0.00 52.55 52.72 1j2o s ASP 112 Cb 0.00 1.03 -0.03 0.00 -1.46 0.00 0.00 42.92 42.45 1j2o s ASP 112 CO 0.00 -0.17 1.47 -0.62 0.52 0.00 0.00 175.17 176.37 1j2o s ASP 113 N 0.38 6.74 0.00 -0.34 2.15 -1.26 -4.76 116.67 119.58 1j2o s ASP 113 Ca 0.01 1.87 0.28 0.00 0.43 0.00 0.00 52.55 55.14 1j2o s ASP 113 Cb -0.05 -2.54 0.95 0.00 -0.30 0.00 0.00 42.92 40.98 1j2o s ASP 113 CO -0.06 -0.91 1.69 1.21 -0.17 0.00 0.00 175.17 176.92