#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2o h SER 2 N 0.00 0.56 0.00 1.61 4.64 -1.94 -3.44 113.55 114.98 1j2o h SER 2 Ca 0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1j2o h SER 2 Cb 0.00 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1j2o h SER 2 CO 0.00 0.75 0.00 0.18 -0.87 0.00 0.00 176.83 176.89 1j2o n LEU 3 N -4.16 0.00 -4.99 5.97 4.32 -1.26 -5.13 117.00 111.76 1j2o n LEU 3 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.80 1j2o n LEU 3 Cb 0.37 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.18 1j2o n LEU 3 CO 0.42 0.00 0.19 -0.76 -1.22 0.00 0.00 177.39 176.02 1j2o s LEU 4 N 0.00 3.66 -0.04 2.23 1.43 -1.23 -4.93 118.68 119.81 1j2o s LEU 4 Ca 0.00 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1j2o s LEU 4 Cb 0.00 -2.82 0.02 0.00 0.03 0.00 0.00 46.19 43.42 1j2o s LEU 4 CO 0.00 -0.74 -0.05 0.42 0.23 0.00 0.00 176.35 176.20 1j2o s THR 5 N -2.43 0.59 0.24 5.49 -4.23 -1.26 0.88 115.64 114.92 1j2o s THR 5 Ca 0.52 -0.17 -0.07 0.00 -1.18 0.00 0.00 61.69 60.78 1j2o s THR 5 Cb -0.10 -0.59 -0.06 0.00 1.34 0.00 0.00 72.50 73.09 1j2o s THR 5 CO 0.34 0.23 0.53 0.00 -0.54 0.00 0.00 174.62 175.18 1j2o n GLY 7 N -0.46 -0.39 0.13 0.00 0.00 0.85 -0.66 105.19 104.66 1j2o n GLY 7 Ca -0.01 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 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 4.91 0.28 0.00 -0.02 0.00 -1.90 -3.43 103.07 102.92 1j2o h GLY 8 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1j2o h GLY 8 CO 0.00 0.64 -0.68 0.00 0.00 0.00 0.00 176.54 176.50 1j2o n GLN 10 N -1.40 -1.39 0.08 0.00 1.13 0.17 -4.88 117.38 111.08 1j2o n GLN 10 Ca 0.00 1.02 -0.18 0.00 -1.94 0.00 0.00 57.00 55.90 1j2o n GLN 10 Cb 0.26 -5.43 -0.14 0.00 0.11 0.00 0.00 30.24 25.03 1j2o n GLN 10 CO 0.00 0.00 0.00 -0.56 -1.44 0.00 0.00 177.06 175.06 1j2o h GLN 11 N 0.00 0.30 0.00 -1.09 3.07 -1.95 -3.46 115.11 111.98 1j2o h GLN 11 Ca -0.41 -0.51 0.00 0.00 0.09 0.00 0.00 58.65 57.82 1j2o h GLN 11 Cb 1.27 0.19 0.00 0.00 0.08 0.00 0.00 27.48 29.02 1j2o h GLN 11 CO 0.54 1.18 0.00 -1.71 0.09 0.00 0.00 178.83 178.93 1j2o n ASN 12 N -3.50 0.00 -4.47 0.06 5.15 -1.26 -4.58 115.26 106.65 1j2o n ASN 12 Ca -0.17 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.38 1j2o n ASN 12 Cb 1.05 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 40.24 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 4.74 -0.11 -1.44 1.01 0.25 -4.83 121.20 120.82 1j2o s ILE 13 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 60.65 60.48 1j2o s ILE 13 Cb 0.00 -4.36 0.11 0.00 0.01 0.00 0.00 42.46 38.22 1j2o s ILE 13 CO 0.00 -0.87 1.07 0.61 0.00 0.00 0.00 174.94 175.75 1j2o n GLY 14 N 5.15 3.47 1.22 6.18 0.00 -1.26 -3.48 105.19 116.46 1j2o n GLY 14 Ca -0.04 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.64 -1.41 -0.00 1.61 9.92 -1.26 -4.77 116.55 119.99 1j2o n ASP 15 Ca 0.05 -0.72 -0.05 0.00 -0.53 0.00 0.00 54.79 53.54 1j2o n ASP 15 Cb 0.38 -0.35 -0.12 0.00 -0.64 0.00 0.00 41.12 40.39 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 -2.68 0.63 -4.16 -1.24 -4.01 -1.26 -4.58 116.66 99.36 1j2o n ARG 16 Ca 0.05 0.26 -0.16 0.00 -1.04 0.00 0.00 57.85 56.96 1j2o n ARG 16 Cb 0.20 -1.79 -0.11 0.00 -3.04 0.00 0.00 32.46 27.72 1j2o n ARG 16 CO 0.00 0.00 0.00 -0.47 -3.04 0.00 0.00 177.63 174.12 1j2o s TYR 17 N -2.73 1.08 0.33 2.89 5.04 -1.26 -1.52 117.35 121.18 1j2o s TYR 17 Ca -0.04 -0.54 -0.10 0.00 -2.44 0.00 0.00 57.07 53.95 1j2o s TYR 17 Cb 0.08 -0.60 0.02 0.00 0.35 0.00 0.00 41.96 41.81 1j2o s TYR 17 CO 0.82 0.02 0.60 -0.59 -1.34 0.00 0.00 175.55 175.06 1j2o s PHE 18 N -1.73 0.53 0.27 4.97 -0.71 0.20 -4.51 117.98 117.01 1j2o s PHE 18 Ca -0.00 -0.95 0.08 0.00 -1.04 0.00 0.00 56.93 55.01 1j2o s PHE 18 Cb -0.07 0.33 -0.05 0.00 -1.21 0.00 0.00 43.02 42.01 1j2o s PHE 18 CO 0.01 -1.26 -0.10 -0.51 -1.34 0.00 0.00 175.22 172.02 1j2o s LEU 19 N -3.12 2.54 0.21 -1.99 1.43 -1.03 0.21 118.68 116.92 1j2o s LEU 19 Ca 0.23 -1.13 -0.19 0.00 -1.03 0.00 0.00 54.13 52.01 1j2o s LEU 19 Cb -0.02 -0.73 0.03 0.00 0.03 0.00 0.00 46.19 45.50 1j2o s LEU 19 CO 0.14 -0.24 0.57 -0.54 0.23 0.00 0.00 176.35 176.51 1j2o s LYS 20 N -3.67 1.44 0.00 1.70 3.01 -0.13 0.15 119.74 122.25 1j2o s LYS 20 Ca 0.28 -0.84 0.00 0.00 -1.01 0.00 0.00 55.97 54.40 1j2o s LYS 20 Cb 0.01 0.55 0.00 0.00 -1.01 0.00 0.00 37.83 37.38 1j2o s LYS 20 CO 0.11 -0.63 0.00 0.00 0.51 0.00 0.00 175.35 175.35 1j2o n ALA 21 N -0.37 0.00 -0.30 5.17 0.00 -1.16 0.12 120.51 123.96 1j2o n ALA 21 Ca -0.10 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.42 1j2o n ALA 21 Cb 0.62 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.27 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 0.18 0.00 0.00 2.04 -1.88 -3.42 117.51 114.42 1j2o h ILE 22 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1j2o h ILE 22 Cb 0.00 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 1j2o h ILE 22 CO 0.00 0.01 0.00 -0.67 0.00 0.00 0.00 178.15 177.49 1j2o n ASP 23 N -5.45 0.00 -4.15 1.72 2.03 -1.26 -5.05 116.55 104.40 1j2o n ASP 23 Ca 0.17 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.21 1j2o n ASP 23 Cb 0.56 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.89 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 1.97 0.56 -0.67 0.00 -1.26 -5.15 119.66 115.12 1j2o s GLN 24 Ca 0.00 -2.21 -0.08 0.00 -0.00 0.00 0.00 55.36 53.07 1j2o s GLN 24 Cb 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 33.01 32.31 1j2o s GLN 24 CO 0.00 -0.49 0.91 0.71 0.00 0.00 0.00 175.29 176.42 1j2o s TYR 25 N -3.17 3.50 0.33 9.60 2.02 -1.24 -3.00 117.35 125.39 1j2o s TYR 25 Ca 0.22 0.94 0.06 0.00 -0.37 0.00 0.00 57.07 57.92 1j2o s TYR 25 Cb 0.02 -2.58 -0.02 0.00 -0.40 0.00 0.00 41.96 38.98 1j2o s TYR 25 CO 0.14 -0.59 0.22 0.91 -1.57 0.00 0.00 175.55 174.65 1j2o n TRP 26 N -2.54 -0.43 -4.31 2.71 7.02 0.39 -0.10 117.44 120.19 1j2o n TRP 26 Ca 0.04 -2.54 -0.28 0.00 -1.02 0.00 0.00 57.50 53.70 1j2o n TRP 26 Cb 0.55 0.17 -0.10 0.00 -2.42 0.00 0.00 31.31 29.51 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 -3.15 2.57 0.32 -5.99 3.76 -1.26 -2.46 115.29 109.08 1j2o s HIS 27 Ca 0.31 -0.25 0.29 0.00 -0.15 0.00 0.00 55.06 55.26 1j2o s HIS 27 Cb 0.01 -1.30 1.41 0.00 1.11 0.00 0.00 32.58 33.81 1j2o s HIS 27 CO 0.22 0.46 2.03 0.93 -0.85 0.00 0.00 174.74 177.52 1j2o h GLU 28 N 3.29 0.00 -0.21 1.40 4.39 -1.86 -2.10 114.58 119.49 1j2o h GLU 28 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1j2o h GLU 28 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1j2o h GLU 28 CO 0.50 0.11 0.00 -3.47 -1.16 0.00 0.00 179.01 175.00 1j2o n ASP 29 N -3.43 3.18 0.00 1.42 2.03 -1.22 -2.65 116.55 115.88 1j2o n ASP 29 Ca -0.01 -2.66 0.00 0.00 0.52 0.00 0.00 54.79 52.64 1j2o n ASP 29 Cb 0.28 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 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 -4.00 4.14 0.00 0.00 0.20 -0.84 0.73 118.68 118.91 1j2o s LEU 31 Ca 0.00 0.43 0.00 0.00 0.69 0.00 0.00 54.13 55.25 1j2o s LEU 31 Cb 0.00 -2.80 0.00 0.00 -0.43 0.00 0.00 46.19 42.96 1j2o s LEU 31 CO 0.00 -0.46 0.00 -1.20 -0.29 0.00 0.00 176.35 174.40 1j2o n SER 32 N 5.84 0.00 -4.71 3.68 7.64 0.12 -3.97 113.62 122.22 1j2o n SER 32 Ca -0.01 -0.30 -0.59 0.00 1.01 0.00 0.00 58.87 58.98 1j2o n SER 32 Cb 0.49 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.61 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 5.35 1.45 0.15 0.00 -0.08 -1.20 -2.21 116.55 120.01 1j2o n ASP 34 Ca 0.28 -0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.43 1j2o n ASP 34 Cb 0.10 -0.13 -0.08 0.00 2.34 0.00 0.00 41.12 43.35 1j2o n ASP 34 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1j2o h LEU 35 N 0.01 -0.35 0.02 -2.67 5.85 -1.87 -3.36 115.31 112.94 1j2o h LEU 35 Ca -0.52 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 57.92 1j2o h LEU 35 Cb 2.01 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 43.13 1j2o h LEU 35 CO -0.02 0.03 -0.48 0.00 -0.34 0.00 0.00 178.44 177.64 1j2o n GLY 37 N 1.57 0.92 0.00 0.00 0.00 -0.94 -5.06 105.19 101.68 1j2o n GLY 37 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 1.13 1.05 -0.32 0.00 1.70 -1.26 -3.84 118.95 117.40 1j2o s ARG 39 Ca 0.00 -0.02 0.07 0.00 -0.47 0.00 0.00 55.73 55.32 1j2o s ARG 39 Cb 0.00 0.49 0.49 0.00 -0.57 0.00 0.00 34.95 35.36 1j2o s ARG 39 CO 0.00 -0.36 1.45 1.47 -1.08 0.00 0.00 175.30 176.77 1j2o n LEU 40 N 0.62 4.50 0.00 -1.89 -0.00 -1.26 -4.67 117.00 114.30 1j2o n LEU 40 Ca -0.19 -4.04 0.00 0.00 -0.00 0.00 0.00 56.01 51.79 1j2o n LEU 40 Cb 0.59 -0.60 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 1j2o n LEU 40 CO 0.21 1.47 0.00 0.61 -0.00 0.00 0.00 177.39 179.68 1j2o n GLY 41 N -1.03 2.47 0.00 1.47 0.00 -1.26 -5.04 105.19 101.80 1j2o n GLY 41 Ca 0.37 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -3.58 1.61 -0.58 -1.26 -5.12 120.64 111.71 1j2o n GLU 42 Ca 0.00 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.58 1j2o n GLU 42 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 1j2o n GLU 42 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1j2o s VAL 43 N 0.92 0.00 -4.95 2.62 0.11 -1.09 -4.82 120.40 113.20 1j2o s VAL 43 Ca 0.00 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 1j2o s VAL 43 Cb 0.00 -0.95 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 1j2o s VAL 43 CO 0.00 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.36 1j2o n GLY 44 N 1.46 -1.26 0.00 6.54 0.00 -1.25 -1.85 105.19 108.82 1j2o n GLY 44 Ca -0.18 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 2.84 -4.32 1.61 0.00 0.22 -4.31 116.66 112.70 1j2o n ARG 45 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.61 1j2o n ARG 45 Cb 0.00 -0.70 -0.12 0.00 -0.00 0.00 0.00 32.46 31.64 1j2o n ARG 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1j2o s ARG 46 N -1.02 1.24 0.00 2.89 0.52 -0.83 -3.27 118.95 118.47 1j2o s ARG 46 Ca 0.00 -1.31 0.00 0.00 -0.52 0.00 0.00 55.73 53.90 1j2o s ARG 46 Cb 0.00 -1.44 0.00 0.00 0.52 0.00 0.00 34.95 34.03 1j2o s ARG 46 CO 0.00 0.32 0.00 1.47 0.02 0.00 0.00 175.30 177.11 1j2o n LEU 47 N 0.68 0.00 -4.77 2.53 -0.00 -1.19 0.12 117.00 114.38 1j2o n LEU 47 Ca -0.16 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.47 1j2o n LEU 47 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.97 1j2o n LEU 47 CO 0.26 0.00 0.88 -0.47 -0.00 0.00 0.00 177.39 178.06 1j2o s TYR 48 N -3.21 2.85 0.17 1.47 6.14 -1.26 -4.84 117.35 118.67 1j2o s TYR 48 Ca 0.00 1.49 0.01 0.00 0.64 0.00 0.00 57.07 59.21 1j2o s TYR 48 Cb 0.00 -3.50 -0.05 0.00 0.42 0.00 0.00 41.96 38.83 1j2o s TYR 48 CO 0.00 -1.75 0.02 1.52 0.64 0.00 0.00 175.55 175.98 1j2o s TYR 49 N -1.41 1.17 0.87 4.97 1.13 -1.26 -3.90 117.35 118.91 1j2o s TYR 49 Ca 0.61 -1.08 -0.13 0.00 -1.41 0.00 0.00 57.07 55.06 1j2o s TYR 49 Cb -0.33 -0.66 0.12 0.00 -1.10 0.00 0.00 41.96 39.98 1j2o s TYR 49 CO 0.41 -0.29 1.18 0.21 -2.51 0.00 0.00 175.55 174.55 1j2o s LYS 50 N -3.95 1.49 0.66 -3.49 2.20 -0.45 -4.91 119.74 111.29 1j2o s LYS 50 Ca 0.25 0.12 0.30 0.00 -0.36 0.00 0.00 55.97 56.28 1j2o s LYS 50 Cb 0.06 -1.90 1.64 0.00 -1.51 0.00 0.00 37.83 36.13 1j2o s LYS 50 CO 0.04 -1.92 1.93 1.37 -0.36 0.00 0.00 175.35 176.41 1j2o h LEU 51 N -1.29 0.00 0.00 5.43 -0.00 -1.98 -3.17 115.31 114.30 1j2o h LEU 51 Ca -0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.37 1j2o h LEU 51 Cb 1.32 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.97 1j2o h LEU 51 CO 0.61 0.00 -1.16 0.61 -0.00 0.00 0.00 178.44 178.51 1j2o n GLY 52 N -1.22 -0.06 3.23 0.17 0.00 -1.26 -5.00 105.19 101.05 1j2o n GLY 52 Ca -0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 1j2o n GLY 52 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1j2o s ARG 53 N -2.06 0.87 -0.17 1.61 1.70 -1.20 -5.13 118.95 114.58 1j2o s ARG 53 Ca -0.03 -0.81 -0.29 0.00 -0.47 0.00 0.00 55.73 54.13 1j2o s ARG 53 Cb 0.01 0.36 -0.01 0.00 -0.57 0.00 0.00 34.95 34.75 1j2o s ARG 53 CO 0.07 -0.29 1.13 0.15 -1.08 0.00 0.00 175.30 175.29 1j2o s LYS 54 N -3.52 4.28 -0.10 3.89 1.02 -1.26 -1.35 119.74 122.70 1j2o s LYS 54 Ca 0.02 1.51 -0.30 0.00 0.02 0.00 0.00 55.97 57.22 1j2o s LYS 54 Cb 0.03 -3.66 0.07 0.00 -0.52 0.00 0.00 37.83 33.75 1j2o s LYS 54 CO -0.09 -0.59 0.71 -0.48 -0.92 0.00 0.00 175.35 173.97 1j2o s LEU 55 N 3.03 -0.66 0.46 3.17 2.34 -1.25 -4.10 118.68 121.66 1j2o s LEU 55 Ca 0.50 0.86 -0.24 0.00 0.06 0.00 0.00 54.13 55.31 1j2o s LEU 55 Cb -0.19 2.48 -0.07 0.00 -0.56 0.00 0.00 46.19 47.85 1j2o s LEU 55 CO 0.12 -0.51 1.25 0.00 -1.06 0.00 0.00 176.35 176.15 1j2o h ARG 57 N 2.16 -0.43 -0.05 0.00 9.65 -1.98 0.31 114.38 124.04 1j2o h ARG 57 Ca -0.50 0.03 -0.14 0.00 -1.10 0.00 0.00 59.98 58.27 1j2o h ARG 57 Cb 1.26 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.92 1j2o h ARG 57 CO 0.60 -0.16 -0.62 0.00 2.80 0.00 0.00 179.97 182.59 1j2o h ARG 58 N -0.66 0.17 0.01 0.20 -0.00 -1.96 -1.54 114.38 110.61 1j2o h ARG 58 Ca -0.05 -0.12 -0.27 0.00 -0.50 0.00 0.00 59.98 59.04 1j2o h ARG 58 Cb 0.47 0.02 0.02 0.00 0.00 0.00 0.00 29.97 30.48 1j2o h ARG 58 CO 0.07 0.73 -1.07 -0.44 0.00 0.00 0.00 179.97 179.27 1j2o h ASP 59 N 0.12 0.91 0.34 7.04 3.32 -1.95 -2.56 116.42 123.64 1j2o h ASP 59 Ca -0.01 -0.75 -0.05 0.00 0.02 0.00 0.00 57.03 56.24 1j2o h ASP 59 Cb 1.12 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1j2o h ASP 59 CO 0.09 1.55 -0.25 0.22 -1.72 0.00 0.00 179.24 179.13 1j2o h TYR 60 N 0.38 0.00 0.00 4.55 5.03 -0.95 0.12 116.97 126.10 1j2o h TYR 60 Ca -0.14 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.17 1j2o h TYR 60 Cb 1.72 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.00 1j2o h TYR 60 CO 0.11 0.25 0.00 -0.11 -1.32 0.00 0.00 178.16 177.09 1j2o n LEU 61 N -4.04 0.00 -0.10 2.82 7.94 -0.58 -0.31 117.00 122.73 1j2o n LEU 61 Ca -0.02 0.03 -0.20 0.00 -1.11 0.00 0.00 56.01 54.70 1j2o n LEU 61 Cb 0.32 -0.03 -0.08 0.00 0.53 0.00 0.00 43.42 44.17 1j2o n LEU 61 CO 0.36 -0.00 -1.19 0.54 -1.11 0.00 0.00 177.39 175.99 1j2o n ARG 62 N -1.03 0.44 0.08 1.96 3.00 0.32 -2.92 116.66 118.50 1j2o n ARG 62 Ca 0.22 0.18 -0.17 0.00 -0.01 0.00 0.00 57.85 58.07 1j2o n ARG 62 Cb 0.12 -1.25 -0.14 0.00 0.00 0.00 0.00 32.46 31.18 1j2o n ARG 62 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.63 179.00 1j2o h LEU 63 N -0.60 0.42 0.00 0.55 8.10 -1.32 -3.24 115.31 119.21 1j2o h LEU 63 Ca -0.50 -0.53 -0.02 0.00 0.11 0.00 0.00 57.88 56.93 1j2o h LEU 63 Cb 1.49 -0.14 -0.00 0.00 -0.44 0.00 0.00 40.66 41.57 1j2o h LEU 63 CO -0.27 1.44 -1.44 0.61 -4.11 0.00 0.00 178.44 174.67 1j2o n GLY 64 N 1.63 -1.26 1.92 0.17 0.00 0.57 -3.97 105.19 104.26 1j2o n GLY 64 Ca -0.14 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 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 1.24 3.94 0.04 -0.02 0.00 -0.70 -1.78 105.19 107.91 1j2o n GLY 65 Ca -0.03 -1.07 0.06 0.00 0.00 0.00 0.00 46.02 44.97 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 0.58 0.16 0.18 1.61 7.64 -1.21 -2.56 113.62 120.02 1j2o n SER 66 Ca 0.29 0.56 0.06 0.00 1.01 0.00 0.00 58.87 60.79 1j2o n SER 66 Cb 0.58 -0.59 0.21 0.00 -1.01 0.00 0.00 64.21 63.40 1j2o n SER 66 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1j2o h GLY 67 N 1.18 0.00 0.00 0.23 0.00 -0.45 -3.47 103.07 100.55 1j2o h GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1j2o h GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1j2o n GLY 68 N 0.72 2.81 0.00 4.60 0.00 -1.06 -4.94 105.19 107.33 1j2o n GLY 68 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1j2o n GLY 68 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1j2o n HIS 69 N -2.00 0.00 0.19 1.61 -0.00 -1.26 -4.88 115.22 108.87 1j2o n HIS 69 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.75 1j2o n HIS 69 Cb 0.00 0.00 0.40 0.00 -0.00 0.00 0.00 29.99 30.39 1j2o n HIS 69 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 1j2o h MET 70 N 0.00 0.03 0.00 1.57 0.00 -1.93 -3.46 114.93 111.15 1j2o h MET 70 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 59.70 59.69 1j2o h MET 70 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.60 1j2o h MET 70 CO 0.00 0.32 0.00 0.41 0.00 0.00 0.00 176.91 177.64 1j2o n GLY 71 N -0.68 -1.73 4.09 8.32 0.00 -1.26 -4.99 105.19 108.95 1j2o n GLY 71 Ca -0.02 0.65 -0.42 0.00 0.00 0.00 0.00 46.02 46.23 1j2o n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j2o n SER 72 N -2.44 -3.15 0.00 1.61 7.64 -0.17 -0.29 113.62 116.82 1j2o n SER 72 Ca 0.00 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 58.61 1j2o n SER 72 Cb 0.00 -1.83 0.00 0.00 -1.01 0.00 0.00 64.21 61.37 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 -2.15 -0.73 1.28 0.23 0.00 -1.25 -2.75 105.19 99.83 1j2o n GLY 73 Ca -0.16 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.47 3.38 -0.02 0.00 -0.73 -2.44 105.19 102.91 1j2o n GLY 74 Ca 0.00 -0.41 -0.45 0.00 0.00 0.00 0.00 46.02 45.16 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 6.19 0.19 1.61 2.15 -1.26 -2.95 116.67 122.60 1j2o s ASP 75 Ca 0.00 -1.34 0.02 0.00 0.43 0.00 0.00 52.55 51.66 1j2o s ASP 75 Cb 0.00 -2.28 -0.05 0.00 -0.30 0.00 0.00 42.92 40.30 1j2o s ASP 75 CO 0.00 -0.99 -0.01 0.68 -0.17 0.00 0.00 175.17 174.69 1j2o s VAL 76 N 2.45 0.80 0.59 1.11 -7.23 -1.26 -5.11 120.40 111.75 1j2o s VAL 76 Ca 0.11 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.08 1j2o s VAL 76 Cb -0.24 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 1j2o s VAL 76 CO 0.07 -0.45 1.26 -0.04 -0.31 0.00 0.00 175.10 175.63 1j2o s MET 77 N -3.89 2.95 -0.66 4.82 -1.94 -1.26 -4.93 119.30 114.39 1j2o s MET 77 Ca 0.25 1.97 -0.28 0.00 -1.71 0.00 0.00 55.69 55.92 1j2o s MET 77 Cb 0.06 -2.00 0.03 0.00 2.01 0.00 0.00 34.83 34.92 1j2o s MET 77 CO 0.05 -1.26 1.23 0.08 -0.01 0.00 0.00 175.02 175.11 1j2o s VAL 78 N -1.48 3.88 -0.11 -6.03 1.01 -1.26 -4.77 120.40 111.65 1j2o s VAL 78 Ca 0.77 0.65 0.02 0.00 0.00 0.00 0.00 61.98 63.42 1j2o s VAL 78 Cb -0.34 -4.82 -0.08 0.00 0.00 0.00 0.00 36.38 31.14 1j2o s VAL 78 CO 0.38 -1.59 -0.08 0.52 0.00 0.00 0.00 175.10 174.33 1j2o n VAL 79 N 6.52 0.67 0.00 2.92 0.31 -1.26 -4.98 118.33 122.51 1j2o n VAL 79 Ca 0.06 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1j2o n VAL 79 Cb 0.49 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 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 2.83 0.00 3.61 2.92 0.00 -1.26 -5.03 105.19 108.27 1j2o n GLY 80 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 3.40 0.00 1.61 8.01 -1.26 -4.93 118.70 125.52 1j2o s GLU 81 Ca 0.00 1.83 0.00 0.00 0.01 0.00 0.00 54.97 56.81 1j2o s GLU 81 Cb 0.00 -4.24 0.00 0.00 -4.31 0.00 0.00 34.13 25.58 1j2o s GLU 81 CO 0.00 -1.79 0.02 -2.30 0.01 0.00 0.00 175.26 171.20 1j2o n PRO 82 N 8.37 0.00 -2.69 0.39 -0.02 -1.25 -4.77 135.00 135.02 1j2o n PRO 82 Ca 0.25 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 1j2o n PRO 82 Cb 0.45 -0.52 -0.03 0.00 -0.02 0.00 0.00 33.50 33.38 1j2o n PRO 82 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1j2o s THR 83 N -0.04 4.03 -0.35 3.45 -4.23 -0.74 -5.00 115.64 112.76 1j2o s THR 83 Ca 0.00 0.19 -0.19 0.00 -1.18 0.00 0.00 61.69 60.50 1j2o s THR 83 Cb 0.00 -4.78 -0.00 0.00 1.34 0.00 0.00 72.50 69.06 1j2o s THR 83 CO 0.00 -1.59 0.59 -0.76 -0.54 0.00 0.00 174.62 172.32 1j2o s LEU 84 N 4.89 4.28 -0.48 4.79 1.43 -1.26 -4.19 118.68 128.14 1j2o s LEU 84 Ca 0.31 0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 1j2o s LEU 84 Cb -0.11 -2.71 0.51 0.00 0.03 0.00 0.00 46.19 43.90 1j2o s LEU 84 CO 0.15 -0.54 1.75 0.23 0.23 0.00 0.00 176.35 178.17 1j2o n MET 85 N 5.91 2.62 0.00 1.70 2.81 -1.26 -4.79 117.12 124.10 1j2o n MET 85 Ca -0.03 -3.38 0.00 0.00 -1.81 0.00 0.00 57.70 52.48 1j2o n MET 85 Cb 0.49 -2.18 0.00 0.00 -0.71 0.00 0.00 33.22 30.82 1j2o n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j2o n GLY 86 N -0.97 1.53 0.00 3.03 0.00 -1.26 -1.00 105.19 106.52 1j2o n GLY 86 Ca 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 6.10 3.29 -0.02 0.00 -1.25 -4.25 105.19 109.06 1j2o n GLY 87 Ca 0.00 -1.78 -0.44 0.00 0.00 0.00 0.00 46.02 43.80 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 3.79 0.19 1.61 2.02 -1.02 -4.55 118.70 121.15 1j2o s GLU 88 Ca 0.00 -2.98 0.03 0.00 0.02 0.00 0.00 54.97 52.04 1j2o s GLU 88 Cb 0.00 -4.38 0.03 0.00 0.10 0.00 0.00 34.13 29.88 1j2o s GLU 88 CO 0.00 -1.25 0.23 1.19 0.02 0.00 0.00 175.26 175.45 1j2o n PHE 89 N 3.05 -2.33 0.00 1.61 3.72 -1.26 -4.80 117.46 117.44 1j2o n PHE 89 Ca 0.20 -0.73 0.00 0.00 -0.05 0.00 0.00 57.45 56.86 1j2o n PHE 89 Cb 0.41 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 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 2.66 0.28 0.00 1.37 0.00 -1.26 -3.92 105.19 104.31 1j2o n GLY 90 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.01 1.61 5.75 -1.26 -1.80 116.55 120.86 1j2o n ASP 91 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1j2o n ASP 91 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1j2o n ASP 91 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1j2o n GLU 92 N 0.00 0.00 0.00 0.11 -0.58 -1.26 -4.82 120.64 114.09 1j2o n GLU 92 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1j2o n GLU 92 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1j2o n GLU 92 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1j2o n ASP 93 N -2.55 0.00 0.00 1.62 5.75 -1.26 -5.06 116.55 115.05 1j2o n ASP 93 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1j2o n ASP 93 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1j2o n ASP 93 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1j2o n GLU 94 N -0.60 0.00 0.00 0.11 -0.58 -1.26 -0.90 120.64 117.41 1j2o n GLU 94 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1j2o n GLU 94 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1j2o n GLU 94 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1j2o n ARG 95 N 0.00 3.91 0.00 3.49 3.00 -1.26 -5.06 116.66 120.74 1j2o n ARG 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1j2o n ARG 95 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 32.46 31.77 1j2o n ARG 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1j2o n LEU 96 N -1.15 0.00 -3.64 6.15 4.77 -0.08 -4.39 117.00 118.66 1j2o n LEU 96 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1j2o n LEU 96 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1j2o n LEU 96 CO 0.00 0.00 0.36 0.27 -1.33 0.00 0.00 177.39 176.69 1j2o s ILE 97 N 0.00 -0.00 -0.19 -0.08 -5.25 -1.26 -4.57 121.20 109.84 1j2o s ILE 97 Ca 0.00 0.00 -0.05 0.00 -0.99 0.00 0.00 60.65 59.61 1j2o s ILE 97 Cb 0.00 -0.99 -0.03 0.00 2.95 0.00 0.00 42.46 44.39 1j2o s ILE 97 CO 0.00 0.00 -0.00 -0.89 -1.79 0.00 0.00 174.94 172.26 1j2o s THR 98 N 1.26 3.98 -0.05 8.37 2.01 0.12 -4.93 115.64 126.39 1j2o s THR 98 Ca -0.07 -0.31 -0.17 0.00 0.31 0.00 0.00 61.69 61.45 1j2o s THR 98 Cb -0.05 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 1j2o s THR 98 CO -0.14 0.44 0.45 -0.13 -0.69 0.00 0.00 174.62 174.55 1j2o s ARG 99 N 0.90 4.15 0.30 4.92 0.52 -1.26 -0.95 118.95 127.53 1j2o s ARG 99 Ca 0.01 0.45 0.03 0.00 -0.52 0.00 0.00 55.73 55.70 1j2o s ARG 99 Cb -0.14 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 31.96 1j2o s ARG 99 CO 0.02 0.43 0.13 -1.17 0.02 0.00 0.00 175.30 174.73 1j2o s LEU 100 N -0.27 1.71 -0.05 2.53 2.96 0.13 -4.99 118.68 120.70 1j2o s LEU 100 Ca 0.25 -1.50 0.00 0.00 -0.22 0.00 0.00 54.13 52.66 1j2o s LEU 100 Cb -0.16 0.09 -0.03 0.00 0.50 0.00 0.00 46.19 46.59 1j2o s LEU 100 CO 0.12 -0.83 -0.03 -1.61 -1.32 0.00 0.00 176.35 172.68 1j2o s GLU 101 N -3.88 2.81 0.01 1.98 2.02 -1.26 -0.63 118.70 119.75 1j2o s GLU 101 Ca 0.35 -0.54 -0.25 0.00 0.02 0.00 0.00 54.97 54.56 1j2o s GLU 101 Cb 0.06 -2.66 -0.16 0.00 0.10 0.00 0.00 34.13 31.46 1j2o s GLU 101 CO 0.16 0.66 1.23 -0.97 0.02 0.00 0.00 175.26 176.36 1j2o h ASN 102 N 4.94 -0.36 0.00 -0.19 -1.24 -1.52 -3.47 115.58 113.73 1j2o h ASN 102 Ca -0.49 -0.17 0.00 0.00 0.71 0.00 0.00 56.30 56.35 1j2o h ASN 102 Cb 1.18 0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.32 1j2o h ASN 102 CO 0.54 0.00 0.00 0.41 -1.29 0.00 0.00 177.43 177.09 1j2o n THR 103 N -5.14 0.00 0.03 -3.57 -1.04 -1.26 -5.07 114.28 98.23 1j2o n THR 103 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1j2o n THR 103 Cb 0.27 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 1j2o n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j2o n GLN 104 N -3.30 0.00 0.00 -2.82 -0.00 -1.26 -5.15 117.38 104.84 1j2o n GLN 104 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1j2o n GLN 104 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 1j2o n GLN 104 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1j2o n PHE 105 N -2.68 0.00 0.00 2.61 3.72 -1.26 -4.85 117.46 115.01 1j2o n PHE 105 Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1j2o n PHE 105 Cb 0.00 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1j2o n PHE 105 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1j2o n ASP 106 N 0.00 0.22 -0.53 4.37 2.03 -1.26 -4.18 116.55 117.20 1j2o n ASP 106 Ca 0.00 0.03 -0.01 0.00 0.52 0.00 0.00 54.79 55.33 1j2o n ASP 106 Cb 0.00 -0.16 -0.01 0.00 -0.72 0.00 0.00 41.12 40.23 1j2o n ASP 106 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j2o n ALA 107 N -2.71 1.92 -0.16 -1.67 0.00 -1.26 -4.94 120.51 111.69 1j2o n ALA 107 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1j2o n ALA 107 Cb 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.40 1j2o n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j2o n ALA 108 N 0.00 0.00 -1.37 0.00 0.00 -1.26 -3.60 120.51 114.28 1j2o n ALA 108 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.10 1j2o n ALA 108 Cb 0.46 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.93 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 2.23 6.94 -0.74 0.00 2.85 -1.26 -4.83 115.26 120.45 1j2o n ASN 109 Ca 0.00 -3.41 0.00 0.00 -0.11 0.00 0.00 54.58 51.06 1j2o n ASN 109 Cb 0.00 -1.10 0.00 0.00 1.24 0.00 0.00 39.78 39.92 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 0.08 1.11 0.00 8.20 0.00 -1.24 -5.06 105.19 108.29 1j2o n GLY 110 Ca 0.48 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1j2o n GLY 110 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1j2o n ILE 111 N 0.00 0.00 -0.38 -0.61 5.41 -1.26 -4.73 119.36 117.79 1j2o n ILE 111 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.84 1j2o n ILE 111 Cb 0.00 -0.57 0.25 0.00 -0.71 0.00 0.00 39.64 38.62 1j2o n ILE 111 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1j2o n ASP 112 N -1.52 3.67 -4.73 4.38 -0.08 -1.26 -4.98 116.55 112.04 1j2o n ASP 112 Ca 0.00 -2.15 -0.29 0.00 -1.51 0.00 0.00 54.79 50.84 1j2o n ASP 112 Cb 0.31 -0.40 0.13 0.00 2.34 0.00 0.00 41.12 43.49 1j2o n ASP 112 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1j2o s ASP 113 N -1.05 3.73 0.00 1.67 -1.08 -1.26 -4.21 116.67 114.46 1j2o s ASP 113 Ca 0.38 0.82 0.00 0.00 -0.52 0.00 0.00 52.55 53.23 1j2o s ASP 113 Cb 0.22 -1.30 0.00 0.00 -1.46 0.00 0.00 42.92 40.38 1j2o s ASP 113 CO 0.23 -2.40 0.47 1.21 0.52 0.00 0.00 175.17 175.20