#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 6.65 0.91 1.61 1.04 -1.26 -5.07 113.70 117.58 1j2o s SER 2 Ca 0.00 0.77 -0.14 0.00 0.48 0.00 0.00 55.95 57.06 1j2o s SER 2 Cb 0.00 -2.28 0.15 0.00 0.10 0.00 0.00 66.02 63.99 1j2o s SER 2 CO 0.00 -0.03 1.24 -0.76 0.98 0.00 0.00 173.24 174.67 1j2o s LEU 3 N 0.83 2.47 0.75 2.42 1.43 -1.26 -5.06 118.68 120.26 1j2o s LEU 3 Ca 0.25 0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 53.80 1j2o s LEU 3 Cb -0.15 -2.77 0.06 0.00 0.03 0.00 0.00 46.19 43.35 1j2o s LEU 3 CO 0.10 -2.46 1.11 -0.76 0.23 0.00 0.00 176.35 174.57 1j2o s LEU 4 N -5.83 2.69 -0.04 1.79 1.43 -1.25 -4.87 118.68 112.60 1j2o s LEU 4 Ca 0.68 0.78 0.01 0.00 -1.03 0.00 0.00 54.13 54.58 1j2o s LEU 4 Cb -0.08 -3.39 0.02 0.00 0.03 0.00 0.00 46.19 42.77 1j2o s LEU 4 CO 0.52 -1.67 -0.04 0.42 0.23 0.00 0.00 176.35 175.80 1j2o s THR 5 N -3.43 0.51 0.15 5.49 -4.23 -1.26 0.44 115.64 113.31 1j2o s THR 5 Ca 0.60 -0.13 -0.21 0.00 -1.18 0.00 0.00 61.69 60.77 1j2o s THR 5 Cb -0.11 -0.53 -0.08 0.00 1.34 0.00 0.00 72.50 73.13 1j2o s THR 5 CO 0.48 0.21 0.68 0.00 -0.54 0.00 0.00 174.62 175.45 1j2o n GLY 7 N 1.36 -1.06 0.11 0.00 0.00 -0.18 -0.87 105.19 104.56 1j2o n GLY 7 Ca -0.06 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 4.77 0.08 0.00 -0.02 0.00 -1.93 -3.44 103.07 102.53 1j2o h GLY 8 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1j2o h GLY 8 CO 0.00 0.17 -0.92 0.00 0.00 0.00 0.00 176.54 175.79 1j2o n GLN 10 N -1.67 -1.30 -0.01 0.00 1.13 -0.05 -4.85 117.38 110.63 1j2o n GLN 10 Ca 0.00 1.05 0.04 0.00 -1.94 0.00 0.00 57.00 56.15 1j2o n GLN 10 Cb 0.27 -5.38 0.23 0.00 0.11 0.00 0.00 30.24 25.48 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 -2.55 1.08 -0.45 -1.09 10.64 -1.26 -4.81 117.38 118.93 1j2o n GLN 11 Ca -0.19 -0.13 0.00 0.00 -1.83 0.00 0.00 57.00 54.86 1j2o n GLN 11 Cb 0.61 -1.14 0.00 0.00 -0.86 0.00 0.00 30.24 28.85 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 -0.51 -3.77 -4.45 2.61 2.85 -1.26 -4.91 115.26 105.82 1j2o n ASN 12 Ca 0.07 0.33 -0.44 0.00 -0.11 0.00 0.00 54.58 54.43 1j2o n ASN 12 Cb 0.06 -0.48 -0.06 0.00 1.24 0.00 0.00 39.78 40.54 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 -1.31 4.79 -2.03 -1.44 1.01 0.17 -4.85 121.20 117.54 1j2o s ILE 13 Ca 0.00 -0.40 0.17 0.00 0.00 0.00 0.00 60.65 60.42 1j2o s ILE 13 Cb 0.00 -4.35 0.11 0.00 0.01 0.00 0.00 42.46 38.23 1j2o s ILE 13 CO 0.00 -0.88 1.01 0.61 0.00 0.00 0.00 174.94 175.68 1j2o n GLY 14 N 5.17 0.23 3.74 6.18 0.00 -1.26 -3.79 105.19 115.46 1j2o n GLY 14 Ca -0.05 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 1j2o n GLY 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j2o s ASP 15 N -1.51 3.85 0.14 1.61 1.01 -1.26 -4.96 116.67 115.55 1j2o s ASP 15 Ca 0.19 1.55 0.08 0.00 0.71 0.00 0.00 52.55 55.08 1j2o s ASP 15 Cb 0.14 -2.25 -0.13 0.00 1.01 0.00 0.00 42.92 41.69 1j2o s ASP 15 CO 0.25 -2.41 1.32 0.08 0.21 0.00 0.00 175.17 174.62 1j2o h ARG 16 N -1.39 0.00 -5.73 8.23 0.11 -1.97 -3.41 114.38 110.22 1j2o h ARG 16 Ca -0.48 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.09 1j2o h ARG 16 Cb 1.27 0.00 -0.25 0.00 1.11 0.00 0.00 29.97 32.10 1j2o h ARG 16 CO 0.54 0.94 -0.82 -0.47 0.10 0.00 0.00 179.97 180.26 1j2o s TYR 17 N -2.82 1.53 0.08 4.08 5.04 -1.26 -0.85 117.35 123.15 1j2o s TYR 17 Ca 0.01 -0.37 -0.03 0.00 -2.44 0.00 0.00 57.07 54.24 1j2o s TYR 17 Cb 0.10 -0.90 0.01 0.00 0.35 0.00 0.00 41.96 41.52 1j2o s TYR 17 CO 0.81 0.08 0.15 1.97 -1.34 0.00 0.00 175.55 177.22 1j2o n PHE 18 N 1.77 -1.16 -4.97 4.97 -1.74 -0.17 -4.63 117.46 111.53 1j2o n PHE 18 Ca -0.18 -0.40 -0.28 0.00 -0.56 0.00 0.00 57.45 56.03 1j2o n PHE 18 Cb 0.54 0.18 -0.16 0.00 1.52 0.00 0.00 39.48 41.55 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 1.96 -0.19 5.98 1.43 -1.25 -0.13 118.68 126.48 1j2o s LEU 19 Ca 0.04 -0.40 -0.27 0.00 -1.03 0.00 0.00 54.13 52.46 1j2o s LEU 19 Cb -0.01 -1.10 0.09 0.00 0.03 0.00 0.00 46.19 45.20 1j2o s LEU 19 CO 0.03 0.18 0.80 -0.75 0.23 0.00 0.00 176.35 176.84 1j2o s LYS 20 N -0.00 0.81 0.00 1.70 2.36 -1.03 0.53 119.74 124.11 1j2o s LYS 20 Ca -0.04 0.59 0.00 0.00 -2.55 0.00 0.00 55.97 53.97 1j2o s LYS 20 Cb -0.12 0.39 0.00 0.00 -1.05 0.00 0.00 37.83 37.05 1j2o s LYS 20 CO 0.03 -0.17 0.00 0.00 1.55 0.00 0.00 175.35 176.75 1j2o n ALA 21 N 1.81 0.00 -0.19 3.13 0.00 -1.23 -3.66 120.51 120.37 1j2o n ALA 21 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 1j2o n ALA 21 Cb 0.56 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.05 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 0.33 0.00 0.00 2.04 -1.83 -3.44 117.51 114.61 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 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 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 -5.43 0.00 -3.39 1.72 2.03 -1.26 -5.00 116.55 105.23 1j2o n ASP 23 Ca 0.06 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.17 1j2o n ASP 23 Cb 0.33 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.65 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 1.80 0.39 -0.67 0.00 -1.26 -5.16 119.66 114.76 1j2o s GLN 24 Ca 0.00 -2.06 -0.07 0.00 -0.00 0.00 0.00 55.36 53.23 1j2o s GLN 24 Cb 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 33.01 33.20 1j2o s GLN 24 CO 0.00 -0.65 0.70 0.71 0.00 0.00 0.00 175.29 176.05 1j2o s TYR 25 N -3.39 3.49 0.00 9.60 2.02 -1.25 -3.49 117.35 124.33 1j2o s TYR 25 Ca 0.39 0.85 0.00 0.00 -0.37 0.00 0.00 57.07 57.94 1j2o s TYR 25 Cb 0.02 -2.29 0.00 0.00 -0.40 0.00 0.00 41.96 39.29 1j2o s TYR 25 CO 0.27 -0.06 0.00 0.91 -1.57 0.00 0.00 175.55 175.10 1j2o n TRP 26 N -1.44 0.00 -4.42 2.71 7.02 0.19 -1.01 117.44 120.48 1j2o n TRP 26 Ca 0.01 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.27 1j2o n TRP 26 Cb 0.54 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.33 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 -1.08 2.06 0.34 -5.99 3.76 -1.26 -3.85 115.29 109.28 1j2o s HIS 27 Ca 0.00 -0.44 0.08 0.00 -0.15 0.00 0.00 55.06 54.55 1j2o s HIS 27 Cb 0.00 -0.93 0.63 0.00 1.11 0.00 0.00 32.58 33.38 1j2o s HIS 27 CO 0.00 0.56 1.81 0.93 -0.85 0.00 0.00 174.74 177.19 1j2o h GLU 28 N 2.37 0.22 -0.09 1.40 5.08 -1.88 -3.17 114.58 118.51 1j2o h GLU 28 Ca -0.39 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1j2o h GLU 28 Cb 1.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1j2o h GLU 28 CO 0.61 0.49 0.00 -3.47 -1.00 0.00 0.00 179.01 175.64 1j2o n ASP 29 N -4.15 1.99 -0.11 1.42 2.03 -1.26 -4.67 116.55 111.80 1j2o n ASP 29 Ca -0.01 -1.64 -0.25 0.00 0.52 0.00 0.00 54.79 53.42 1j2o n ASP 29 Cb 0.38 -0.06 -0.11 0.00 -0.72 0.00 0.00 41.12 40.60 1j2o n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j2o s LEU 31 N -7.57 3.77 0.30 0.00 1.43 -1.20 -4.95 118.68 110.47 1j2o s LEU 31 Ca -0.33 1.98 0.03 0.00 -1.03 0.00 0.00 54.13 54.79 1j2o s LEU 31 Cb 0.10 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1j2o s LEU 31 CO 0.57 -1.59 0.16 -0.44 0.23 0.00 0.00 176.35 175.28 1j2o s SER 32 N 6.44 1.53 -0.33 2.29 0.01 -1.26 -1.42 113.70 120.96 1j2o s SER 32 Ca 0.91 -1.57 -0.29 0.00 1.31 0.00 0.00 55.95 56.31 1j2o s SER 32 Cb -0.33 0.40 -0.07 0.00 0.21 0.00 0.00 66.02 66.23 1j2o s SER 32 CO 0.36 -0.90 2.28 0.00 0.41 0.00 0.00 173.24 175.39 1j2o h ASP 34 N 15.74 0.73 0.26 0.00 3.58 -1.94 0.11 116.42 134.91 1j2o h ASP 34 Ca -0.33 -0.22 -0.01 0.00 0.42 0.00 0.00 57.03 56.88 1j2o h ASP 34 Cb 1.26 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1j2o h ASP 34 CO 1.03 0.76 -0.12 0.25 -2.88 0.00 0.00 179.24 178.28 1j2o h LEU 35 N 0.66 -0.30 0.18 2.28 5.85 -1.87 -3.40 115.31 118.72 1j2o h LEU 35 Ca 0.16 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1j2o h LEU 35 Cb 0.30 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1j2o h LEU 35 CO -0.00 0.14 -0.09 0.00 -0.34 0.00 0.00 178.44 178.15 1j2o n GLY 37 N 0.53 1.63 0.00 0.00 0.00 0.39 -5.03 105.19 102.71 1j2o n GLY 37 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.24 0.09 0.16 0.00 3.00 -1.26 -4.33 118.95 116.84 1j2o s ARG 39 Ca 0.00 -0.01 0.01 0.00 -1.00 0.00 0.00 55.73 54.73 1j2o s ARG 39 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 34.95 34.95 1j2o s ARG 39 CO 0.00 -0.03 0.03 -0.51 0.00 0.00 0.00 175.30 174.78 1j2o s LEU 40 N -1.59 1.98 0.00 -0.88 1.43 -0.51 -4.50 118.68 114.61 1j2o s LEU 40 Ca 0.10 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 1j2o s LEU 40 Cb -0.01 0.09 0.00 0.00 0.03 0.00 0.00 46.19 46.30 1j2o s LEU 40 CO -0.05 -0.64 0.00 0.61 0.23 0.00 0.00 176.35 176.50 1j2o n GLY 41 N -0.19 0.00 3.27 -3.19 0.00 -1.26 -4.67 105.19 99.15 1j2o n GLY 41 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 0.42 -4.13 1.61 0.00 -1.26 -4.99 120.64 112.30 1j2o n GLU 42 Ca 0.00 -3.40 -0.30 0.00 0.00 0.00 0.00 57.16 53.47 1j2o n GLU 42 Cb 0.00 2.77 -0.16 0.00 0.00 0.00 0.00 31.44 34.05 1j2o n GLU 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1j2o s VAL 43 N -3.38 1.57 -4.20 3.84 0.11 -1.26 -3.81 120.40 113.27 1j2o s VAL 43 Ca 0.40 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 1j2o s VAL 43 Cb 0.02 -1.46 0.00 0.00 -1.53 0.00 0.00 36.38 33.41 1j2o s VAL 43 CO 0.29 0.46 0.00 0.61 -3.33 0.00 0.00 175.10 173.12 1j2o n GLY 44 N 4.64 -1.18 1.77 6.54 0.00 -1.26 -4.95 105.19 110.76 1j2o n GLY 44 Ca -0.17 -1.13 -0.07 0.00 0.00 0.00 0.00 46.02 44.64 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 1.53 -0.55 1.61 -4.01 -1.26 -4.67 116.66 109.31 1j2o n ARG 45 Ca 0.00 -0.60 0.00 0.00 -1.04 0.00 0.00 57.85 56.21 1j2o n ARG 45 Cb 0.00 -1.51 0.00 0.00 -3.04 0.00 0.00 32.46 27.91 1j2o n ARG 45 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1j2o n ARG 46 N 1.85 0.97 -0.19 2.89 5.12 -1.26 -4.94 116.66 121.10 1j2o n ARG 46 Ca 0.22 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 56.06 1j2o n ARG 46 Cb 0.69 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.98 1j2o n ARG 46 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1j2o n LEU 47 N 0.00 0.13 -4.50 0.55 0.00 -1.26 -4.67 117.00 107.25 1j2o n LEU 47 Ca 0.00 0.13 -0.34 0.00 0.00 0.00 0.00 56.01 55.80 1j2o n LEU 47 Cb 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 43.42 43.20 1j2o n LEU 47 CO 0.00 -0.09 -0.36 -0.31 0.00 0.00 0.00 177.39 176.62 1j2o s TYR 48 N 0.38 3.00 0.26 1.96 2.02 -1.26 -3.38 117.35 120.33 1j2o s TYR 48 Ca 0.12 -0.28 -0.23 0.00 -0.37 0.00 0.00 57.07 56.31 1j2o s TYR 48 Cb -0.17 -1.92 -0.09 0.00 -0.40 0.00 0.00 41.96 39.38 1j2o s TYR 48 CO 0.09 0.00 0.83 1.52 -1.57 0.00 0.00 175.55 176.43 1j2o s TYR 49 N 0.20 3.71 0.37 2.71 1.13 -0.62 -4.39 117.35 120.46 1j2o s TYR 49 Ca -0.03 1.61 -0.05 0.00 -1.41 0.00 0.00 57.07 57.20 1j2o s TYR 49 Cb -0.14 -2.78 -0.05 0.00 -1.10 0.00 0.00 41.96 37.89 1j2o s TYR 49 CO 0.03 0.31 0.64 0.15 -2.51 0.00 0.00 175.55 174.17 1j2o s LYS 50 N -1.88 3.60 0.01 -3.49 1.02 0.16 -4.05 119.74 115.10 1j2o s LYS 50 Ca 0.45 0.05 -0.02 0.00 0.02 0.00 0.00 55.97 56.47 1j2o s LYS 50 Cb -0.19 -2.54 -0.00 0.00 -0.52 0.00 0.00 37.83 34.58 1j2o s LYS 50 CO 0.23 0.06 0.08 1.47 -0.92 0.00 0.00 175.35 176.27 1j2o n LEU 51 N -1.51 -0.06 -0.16 3.17 -0.00 -1.26 -0.53 117.00 116.66 1j2o n LEU 51 Ca -0.01 0.10 0.06 0.00 -0.00 0.00 0.00 56.01 56.16 1j2o n LEU 51 Cb 0.55 -0.01 0.09 0.00 -0.00 0.00 0.00 43.42 44.04 1j2o n LEU 51 CO 0.49 -0.08 0.48 0.61 -0.00 0.00 0.00 177.39 178.89 1j2o n GLY 52 N -1.01 3.35 2.67 1.47 0.00 -1.26 -4.98 105.19 105.43 1j2o n GLY 52 Ca 0.00 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.89 0.01 -1.24 1.61 0.52 0.31 -5.03 118.95 113.24 1j2o s ARG 53 Ca 0.20 0.21 -0.09 0.00 -0.52 0.00 0.00 55.73 55.53 1j2o s ARG 53 Cb 0.17 -1.06 -0.13 0.00 0.52 0.00 0.00 34.95 34.45 1j2o s ARG 53 CO 0.02 -0.49 3.12 0.36 0.02 0.00 0.00 175.30 178.33 1j2o n LYS 54 N 5.30 3.29 -3.82 3.54 2.85 -1.26 0.37 118.16 128.42 1j2o n LYS 54 Ca -0.05 -1.91 -0.23 0.00 -1.05 0.00 0.00 58.31 55.08 1j2o n LYS 54 Cb 0.50 -2.61 -0.05 0.00 -0.65 0.00 0.00 35.03 32.22 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 0.13 3.27 1.00 -5.58 2.34 -1.26 -4.18 118.68 114.39 1j2o s LEU 55 Ca 0.69 -0.90 -0.12 0.00 0.06 0.00 0.00 54.13 53.86 1j2o s LEU 55 Cb 0.21 -1.78 0.19 0.00 -0.56 0.00 0.00 46.19 44.26 1j2o s LEU 55 CO -0.05 -0.60 1.08 0.00 -1.06 0.00 0.00 176.35 175.72 1j2o n ARG 57 N -4.27 0.44 0.02 0.00 3.00 -1.26 -3.32 116.66 111.26 1j2o n ARG 57 Ca 0.06 0.13 -0.06 0.00 -0.00 0.00 0.00 57.85 57.97 1j2o n ARG 57 Cb 0.55 -1.31 0.12 0.00 0.00 0.00 0.00 32.46 31.83 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 -0.22 0.49 0.00 -0.14 2.47 -1.96 -0.36 114.38 114.65 1j2o h ARG 58 Ca -0.43 -0.25 -0.13 0.00 -1.26 0.00 0.00 59.98 57.91 1j2o h ARG 58 Cb 1.56 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.87 1j2o h ARG 58 CO -0.14 0.83 -0.70 -0.44 0.56 0.00 0.00 179.97 180.08 1j2o h ASP 59 N 0.40 0.00 -0.52 7.04 3.32 -1.99 -2.93 116.42 121.74 1j2o h ASP 59 Ca 0.03 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1j2o h ASP 59 Cb 0.91 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.44 1j2o h ASP 59 CO 0.08 0.58 0.18 0.22 -1.72 0.00 0.00 179.24 178.58 1j2o h TYR 60 N 0.00 0.86 0.00 4.55 5.03 -1.45 -2.16 116.97 123.80 1j2o h TYR 60 Ca -0.03 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.22 1j2o h TYR 60 Cb 1.47 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 39.49 1j2o h TYR 60 CO 0.00 0.70 0.00 -0.11 -1.32 0.00 0.00 178.16 177.43 1j2o n LEU 61 N -4.30 0.00 0.24 2.82 0.00 -0.18 0.37 117.00 115.95 1j2o n LEU 61 Ca 0.04 0.49 0.13 0.00 0.00 0.00 0.00 56.01 56.68 1j2o n LEU 61 Cb 0.20 -0.49 0.38 0.00 0.00 0.00 0.00 43.42 43.51 1j2o n LEU 61 CO 0.39 -0.34 0.86 -0.09 0.00 0.00 0.00 177.39 178.22 1j2o h ARG 62 N 0.00 0.00 0.00 1.96 9.65 -1.48 -1.79 114.38 122.73 1j2o h ARG 62 Ca 0.00 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 1j2o h ARG 62 Cb 0.15 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 1j2o h ARG 62 CO 0.00 0.04 -1.24 1.47 2.80 0.00 0.00 179.97 183.04 1j2o n LEU 63 N -3.12 2.28 -1.07 3.80 -0.00 -0.28 -4.58 117.00 114.03 1j2o n LEU 63 Ca 0.02 -0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.02 1j2o n LEU 63 Cb 0.45 -0.14 0.10 0.00 -0.00 0.00 0.00 43.42 43.83 1j2o n LEU 63 CO 0.32 0.44 0.54 0.61 -0.00 0.00 0.00 177.39 179.30 1j2o n GLY 64 N 3.15 2.22 2.64 1.47 0.00 0.16 -4.25 105.19 110.57 1j2o n GLY 64 Ca -0.08 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 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 0.13 5.70 0.37 -0.02 0.00 -0.67 -4.77 105.19 105.92 1j2o n GLY 65 Ca 0.12 -2.40 0.11 0.00 0.00 0.00 0.00 46.02 43.85 1j2o n GLY 65 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1j2o h SER 66 N 2.52 0.00 0.59 1.61 0.02 -1.84 0.40 113.55 116.84 1j2o h SER 66 Ca 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1j2o h SER 66 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1j2o h SER 66 CO 1.51 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 177.81 1j2o n GLY 67 N -1.45 -1.09 7.00 -3.77 0.00 -1.26 -4.96 105.19 99.66 1j2o n GLY 67 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.13 2.35 0.13 -0.02 0.00 0.14 -2.42 105.19 105.50 1j2o n GLY 68 Ca 0.04 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 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 12.12 1.26 0.35 1.61 -0.00 -1.26 -4.33 115.22 124.98 1j2o n HIS 69 Ca 0.00 0.28 -0.17 0.00 0.46 0.00 0.00 57.72 58.29 1j2o n HIS 69 Cb 0.00 -1.17 -0.09 0.00 -0.12 0.00 0.00 29.99 28.61 1j2o n HIS 69 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 1j2o h MET 70 N 0.07 -0.86 -5.63 1.57 2.86 -1.96 -3.48 114.93 107.51 1j2o h MET 70 Ca -0.41 0.06 -0.35 0.00 -2.06 0.00 0.00 59.70 56.94 1j2o h MET 70 Cb 2.04 0.19 0.15 0.00 0.06 0.00 0.00 31.60 34.04 1j2o h MET 70 CO 0.09 -0.54 -0.71 0.41 1.06 0.00 0.00 176.91 177.22 1j2o n GLY 71 N -1.17 -0.41 2.75 8.32 0.00 -1.02 -4.47 105.19 109.20 1j2o n GLY 71 Ca -0.13 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.00 6.40 -0.04 1.61 7.64 -1.26 0.65 113.62 125.61 1j2o n SER 72 Ca -0.16 -3.74 -0.13 0.00 1.01 0.00 0.00 58.87 55.84 1j2o n SER 72 Cb 0.62 -0.89 -0.11 0.00 -1.01 0.00 0.00 64.21 62.82 1j2o n SER 72 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1j2o h GLY 73 N 3.28 -0.02 0.00 0.23 0.00 -1.92 -3.44 103.07 101.20 1j2o h GLY 73 Ca 0.43 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1j2o h GLY 73 CO 1.14 -0.01 0.00 0.61 0.00 0.00 0.00 176.54 178.28 1j2o n GLY 74 N 1.01 2.09 2.69 4.60 0.00 -1.07 -4.55 105.19 109.96 1j2o n GLY 74 Ca -0.09 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.23 3.15 -0.28 1.61 2.15 -1.26 -4.51 116.67 117.31 1j2o s ASP 75 Ca 0.00 -1.03 -0.04 0.00 0.43 0.00 0.00 52.55 51.92 1j2o s ASP 75 Cb 0.00 -0.56 0.02 0.00 -0.30 0.00 0.00 42.92 42.08 1j2o s ASP 75 CO 0.00 -0.35 0.01 -0.69 -0.17 0.00 0.00 175.17 173.97 1j2o s VAL 76 N 1.88 3.34 -0.69 1.11 1.01 -1.26 -5.05 120.40 120.74 1j2o s VAL 76 Ca 0.03 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 1j2o s VAL 76 Cb -0.17 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1j2o s VAL 76 CO -0.16 0.09 1.79 -0.04 0.00 0.00 0.00 175.10 176.78 1j2o s MET 77 N 1.38 2.71 0.00 2.72 1.00 -1.26 -4.81 119.30 121.04 1j2o s MET 77 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 55.69 55.99 1j2o s MET 77 Cb -0.17 -4.50 0.00 0.00 0.00 0.00 0.00 34.83 30.15 1j2o s MET 77 CO -0.01 -2.75 0.00 1.33 0.00 0.00 0.00 175.02 173.59 1j2o n VAL 78 N 7.21 0.00 -1.64 -6.03 0.24 -1.26 -5.01 118.33 111.84 1j2o n VAL 78 Ca 0.22 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.24 1j2o n VAL 78 Cb 0.51 0.00 0.07 0.00 -1.47 0.00 0.00 33.84 32.94 1j2o n VAL 78 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1j2o n VAL 79 N 0.00 3.07 0.00 3.34 0.31 -1.26 -4.75 118.33 119.04 1j2o n VAL 79 Ca 0.00 -3.45 0.00 0.00 -0.01 0.00 0.00 64.34 60.88 1j2o n VAL 79 Cb 0.00 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 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 -0.85 -0.26 2.70 2.92 0.00 -1.26 -5.06 105.19 103.38 1j2o n GLY 80 Ca 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.95 -2.08 -3.07 1.61 1.02 -1.26 -5.03 120.64 109.88 1j2o n GLU 81 Ca 0.00 1.92 -0.24 0.00 -0.02 0.00 0.00 57.16 58.82 1j2o n GLU 81 Cb 0.00 -5.21 0.00 0.00 -0.02 0.00 0.00 31.44 26.21 1j2o n GLU 81 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1j2o s PRO 82 N -2.45 3.29 0.77 3.49 0.05 -1.26 -4.41 135.00 134.49 1j2o s PRO 82 Ca 0.21 -0.32 -0.12 0.00 0.05 0.00 0.00 61.00 60.83 1j2o s PRO 82 Cb -0.06 -2.56 0.06 0.00 0.05 0.00 0.00 34.50 31.98 1j2o s PRO 82 CO 0.68 -0.11 1.11 0.95 0.05 0.00 0.00 177.00 179.68 1j2o s THR 83 N -2.50 3.01 -0.60 1.26 -4.23 -1.26 -2.96 115.64 108.35 1j2o s THR 83 Ca 0.45 0.33 -0.26 0.00 -1.18 0.00 0.00 61.69 61.03 1j2o s THR 83 Cb -0.10 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.50 1j2o s THR 83 CO 0.38 -0.43 2.05 -0.76 -0.54 0.00 0.00 174.62 175.32 1j2o s LEU 84 N -5.62 3.30 -0.11 4.79 1.02 -1.26 -4.50 118.68 116.30 1j2o s LEU 84 Ca 0.60 0.48 -0.04 0.00 0.02 0.00 0.00 54.13 55.19 1j2o s LEU 84 Cb -0.13 -2.52 -0.05 0.00 0.02 0.00 0.00 46.19 43.51 1j2o s LEU 84 CO 0.53 -2.60 -0.13 0.80 0.02 0.00 0.00 176.35 174.96 1j2o n MET 85 N 9.10 0.24 0.00 1.70 1.56 -1.26 -4.95 117.12 123.51 1j2o n MET 85 Ca 0.27 0.09 0.00 0.00 -0.27 0.00 0.00 57.70 57.80 1j2o n MET 85 Cb 0.52 -0.96 0.00 0.00 2.15 0.00 0.00 33.22 34.93 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 2.45 -0.04 1.97 -5.12 0.00 -1.19 -4.89 105.19 98.37 1j2o n GLY 86 Ca -0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 1.66 3.11 1.01 -0.02 0.00 0.21 -4.87 105.19 106.29 1j2o n GLY 87 Ca 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 46.02 44.92 1j2o n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j2o n GLU 88 N 2.08 -0.06 0.00 1.61 4.71 -1.26 -2.60 120.64 125.13 1j2o n GLU 88 Ca 0.36 0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.56 1j2o n GLU 88 Cb 0.80 -0.06 0.00 0.00 -1.01 0.00 0.00 31.44 31.16 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 0.08 0.00 -3.15 -0.32 3.72 -1.26 -4.74 117.46 111.78 1j2o n PHE 89 Ca -0.00 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 1j2o n PHE 89 Cb 0.02 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 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 -0.16 -0.17 -0.03 1.37 0.00 -1.16 -4.60 107.32 102.58 1j2o s GLY 90 Ca 0.00 3.09 -0.18 0.00 0.00 0.00 0.00 44.72 47.63 1j2o s GLY 90 CO 0.00 4.06 0.75 1.29 0.00 0.00 0.00 173.10 179.20 1j2o h ASP 91 N 7.82 -0.49 0.00 1.64 2.03 -1.76 -3.44 116.42 122.22 1j2o h ASP 91 Ca -0.10 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.18 1j2o h ASP 91 Cb 1.18 0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 1j2o h ASP 91 CO -0.25 -0.06 0.00 -0.62 -1.03 0.00 0.00 179.24 177.28 1j2o n GLU 92 N -5.16 0.00 -0.22 4.15 1.02 -1.26 -4.78 120.64 114.39 1j2o n GLU 92 Ca -0.08 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1j2o n GLU 92 Cb 0.25 -2.25 0.08 0.00 -0.02 0.00 0.00 31.44 29.49 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 0.00 2.32 -3.37 1.62 -0.08 -1.26 -4.70 116.55 111.07 1j2o n ASP 93 Ca 0.00 -2.24 -0.38 0.00 -1.51 0.00 0.00 54.79 50.66 1j2o n ASP 93 Cb 0.00 -0.55 -0.02 0.00 2.34 0.00 0.00 41.12 42.89 1j2o n ASP 93 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1j2o n GLU 94 N 0.14 3.34 -2.92 -0.67 0.28 -1.26 -4.23 120.64 115.31 1j2o n GLU 94 Ca 0.08 -2.18 -0.44 0.00 -0.16 0.00 0.00 57.16 54.46 1j2o n GLU 94 Cb 0.53 -2.85 -0.02 0.00 1.43 0.00 0.00 31.44 30.54 1j2o n GLU 94 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1j2o s ARG 95 N 2.55 3.79 0.92 3.44 6.06 -1.26 -4.91 118.95 129.54 1j2o s ARG 95 Ca 0.62 -2.06 -0.14 0.00 -2.50 0.00 0.00 55.73 51.65 1j2o s ARG 95 Cb 0.16 -4.99 0.16 0.00 0.06 0.00 0.00 34.95 30.34 1j2o s ARG 95 CO -0.06 -1.79 1.23 -0.48 -2.50 0.00 0.00 175.30 171.71 1j2o s LEU 96 N 2.35 2.39 0.20 -0.88 0.05 -1.26 -1.59 118.68 119.95 1j2o s LEU 96 Ca 0.37 0.56 0.07 0.00 0.05 0.00 0.00 54.13 55.19 1j2o s LEU 96 Cb -0.04 -2.77 -0.04 0.00 -2.05 0.00 0.00 46.19 41.29 1j2o s LEU 96 CO -0.06 -2.54 0.08 0.27 -0.55 0.00 0.00 176.35 173.55 1j2o s ILE 97 N -3.63 4.02 0.10 1.48 -5.25 -1.22 -4.16 121.20 112.54 1j2o s ILE 97 Ca 0.68 -1.42 0.05 0.00 -0.99 0.00 0.00 60.65 58.98 1j2o s ILE 97 Cb -0.08 -3.09 -0.03 0.00 2.95 0.00 0.00 42.46 42.21 1j2o s ILE 97 CO 0.52 -0.21 -0.14 0.28 -1.79 0.00 0.00 174.94 173.61 1j2o s THR 98 N -1.92 1.19 -0.14 8.37 -1.32 -1.24 -3.98 115.64 116.61 1j2o s THR 98 Ca 0.30 -1.54 -0.24 0.00 -1.21 0.00 0.00 61.69 59.01 1j2o s THR 98 Cb -0.09 -1.32 -0.02 0.00 -1.51 0.00 0.00 72.50 69.56 1j2o s THR 98 CO 0.21 -0.35 0.75 -0.13 -2.21 0.00 0.00 174.62 172.90 1j2o s ARG 99 N -2.30 4.33 0.41 7.08 1.81 -1.25 -2.45 118.95 126.59 1j2o s ARG 99 Ca 0.04 0.90 0.03 0.00 -1.72 0.00 0.00 55.73 54.99 1j2o s ARG 99 Cb -0.07 -3.53 -0.03 0.00 -0.45 0.00 0.00 34.95 30.87 1j2o s ARG 99 CO 0.02 -0.18 0.08 -1.17 -0.68 0.00 0.00 175.30 173.38 1j2o s LEU 100 N 1.64 2.13 0.01 2.53 2.96 0.81 -4.96 118.68 123.79 1j2o s LEU 100 Ca 0.36 -1.59 0.03 0.00 -0.22 0.00 0.00 54.13 52.71 1j2o s LEU 100 Cb -0.17 -0.32 -0.04 0.00 0.50 0.00 0.00 46.19 46.17 1j2o s LEU 100 CO 0.14 -0.83 -0.04 -1.83 -1.32 0.00 0.00 176.35 172.48 1j2o s GLU 101 N -3.78 2.63 0.00 1.98 -1.05 -1.26 -1.00 118.70 116.21 1j2o s GLU 101 Ca 0.23 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.36 1j2o s GLU 101 Cb 0.04 -2.56 0.00 0.00 -0.44 0.00 0.00 34.13 31.17 1j2o s GLU 101 CO 0.13 0.60 0.32 -1.71 0.95 0.00 0.00 175.26 175.55 1j2o n ASN 102 N 1.41 0.00 0.00 0.83 2.85 -0.03 -4.89 115.26 115.43 1j2o n ASN 102 Ca -0.15 0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1j2o n ASN 102 Cb 0.53 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.55 1j2o n ASN 102 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1j2o n THR 103 N -0.37 0.00 -1.14 -0.44 -1.04 -1.26 -4.98 114.28 105.05 1j2o n THR 103 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 1j2o n THR 103 Cb 0.00 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.56 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 0.00 2.23 0.00 -2.82 -0.00 -1.26 -4.56 117.38 110.98 1j2o n GLN 104 Ca 0.00 -2.38 0.00 0.00 -0.00 0.00 0.00 57.00 54.62 1j2o n GLN 104 Cb 0.00 -1.94 0.00 0.00 -0.00 0.00 0.00 30.24 28.30 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 -0.17 0.00 0.00 2.61 -0.00 -1.26 -4.65 117.46 113.99 1j2o n PHE 105 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.90 1j2o n PHE 105 Cb 0.60 -0.49 0.00 0.00 -0.00 0.00 0.00 39.48 39.59 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 -1.97 0.00 -1.76 -2.13 2.03 -1.26 -4.78 116.55 106.69 1j2o n ASP 106 Ca 0.00 0.61 -0.02 0.00 0.52 0.00 0.00 54.79 55.90 1j2o n ASP 106 Cb 0.00 -0.11 0.04 0.00 -0.72 0.00 0.00 41.12 40.33 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 -1.02 1.20 -2.68 -1.67 0.00 -1.26 -5.11 120.51 109.97 1j2o n ALA 107 Ca 0.00 -0.54 -0.37 0.00 0.00 0.00 0.00 53.44 52.53 1j2o n ALA 107 Cb 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 1j2o n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j2o s ALA 108 N 0.05 3.56 -0.12 0.00 0.00 -1.25 -3.42 121.76 120.58 1j2o s ALA 108 Ca 0.04 -0.92 0.14 0.00 0.00 0.00 0.00 51.96 51.22 1j2o s ALA 108 Cb 0.18 -2.31 0.28 0.00 0.00 0.00 0.00 23.12 21.28 1j2o s ALA 108 CO -0.05 -0.24 1.14 -1.71 0.00 0.00 0.00 175.76 174.90 1j2o n ASN 109 N 4.38 1.71 0.00 0.00 2.85 -1.24 -4.12 115.26 118.85 1j2o n ASN 109 Ca -0.15 -3.00 0.00 0.00 -0.11 0.00 0.00 54.58 51.31 1j2o n ASN 109 Cb 0.52 -0.40 0.00 0.00 1.24 0.00 0.00 39.78 41.14 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 -0.99 3.89 2.73 8.20 0.00 -1.26 -4.96 105.19 112.80 1j2o n GLY 110 Ca 0.13 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 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 3.20 -4.93 -0.61 5.41 -1.26 -5.06 119.36 116.12 1j2o n ILE 111 Ca 0.00 -4.67 0.00 0.00 1.00 0.00 0.00 62.75 59.08 1j2o n ILE 111 Cb 0.00 -1.27 0.00 0.00 -0.71 0.00 0.00 39.64 37.66 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 -0.48 -2.78 -4.55 4.38 -0.08 -1.26 -4.12 116.55 107.65 1j2o n ASP 112 Ca 0.47 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 53.39 1j2o n ASP 112 Cb 0.41 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.83 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 -4.00 5.59 0.00 1.67 2.15 -1.25 -3.64 116.67 117.18 1j2o s ASP 113 Ca 0.00 -0.38 0.30 0.00 0.43 0.00 0.00 52.55 52.90 1j2o s ASP 113 Cb 0.00 -2.55 1.80 0.00 -0.30 0.00 0.00 42.92 41.87 1j2o s ASP 113 CO 0.00 -2.25 2.13 1.21 -0.17 0.00 0.00 175.17 176.09