#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 3.56 0.85 1.61 1.04 -1.26 -5.15 113.70 114.35 1j2o s SER 2 Ca 0.00 -0.87 -0.03 0.00 0.48 0.00 0.00 55.95 55.53 1j2o s SER 2 Cb 0.00 -0.32 0.05 0.00 0.10 0.00 0.00 66.02 65.85 1j2o s SER 2 CO 0.00 0.10 0.29 0.18 0.98 0.00 0.00 173.24 174.79 1j2o n LEU 3 N 0.03 0.00 -4.98 2.42 4.77 -1.26 -5.09 117.00 112.89 1j2o n LEU 3 Ca -0.11 -0.39 -0.20 0.00 -0.03 0.00 0.00 56.01 55.29 1j2o n LEU 3 Cb 0.57 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1j2o n LEU 3 CO 0.32 -0.69 0.13 -0.76 -1.33 0.00 0.00 177.39 175.06 1j2o s LEU 4 N 0.00 3.85 -0.05 2.23 1.43 -1.26 -4.97 118.68 119.92 1j2o s LEU 4 Ca 0.17 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1j2o s LEU 4 Cb -0.01 -2.86 0.02 0.00 0.03 0.00 0.00 46.19 43.38 1j2o s LEU 4 CO 0.12 -0.54 -0.04 0.42 0.23 0.00 0.00 176.35 176.53 1j2o s THR 5 N -2.30 0.53 0.44 5.49 -4.23 -1.26 0.17 115.64 114.48 1j2o s THR 5 Ca 0.47 -0.11 -0.22 0.00 -1.18 0.00 0.00 61.69 60.64 1j2o s THR 5 Cb -0.10 -0.57 -0.09 0.00 1.34 0.00 0.00 72.50 73.09 1j2o s THR 5 CO 0.33 0.23 1.03 0.00 -0.54 0.00 0.00 174.62 175.67 1j2o h GLY 7 N 2.01 0.00 0.45 0.00 0.00 -1.63 0.35 103.07 104.25 1j2o h GLY 7 Ca -0.49 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.49 1j2o h GLY 7 CO 0.61 0.00 -1.94 0.61 0.00 0.00 0.00 176.54 175.81 1j2o n GLY 8 N 0.36 -0.58 0.09 4.60 0.00 -1.26 -4.69 105.19 103.72 1j2o n GLY 8 Ca 0.02 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.50 -1.16 -0.15 0.00 -0.06 0.11 -4.83 117.38 106.79 1j2o n GLN 10 Ca -0.21 0.62 0.03 0.00 -2.00 0.00 0.00 57.00 55.44 1j2o n GLN 10 Cb 0.49 -4.65 0.10 0.00 -4.06 0.00 0.00 30.24 22.12 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 -1.35 1.66 -0.56 3.69 10.64 -1.26 -4.87 117.38 125.34 1j2o n GLN 11 Ca -0.06 -0.81 0.00 0.00 -1.83 0.00 0.00 57.00 54.30 1j2o n GLN 11 Cb 0.38 -1.31 0.00 0.00 -0.86 0.00 0.00 30.24 28.45 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 0.14 -4.24 -4.56 2.61 5.15 -1.26 -4.89 115.26 108.21 1j2o n ASN 12 Ca 0.07 0.40 -0.43 0.00 -0.60 0.00 0.00 54.58 54.03 1j2o n ASN 12 Cb 0.27 -0.82 -0.04 0.00 -0.53 0.00 0.00 39.78 38.66 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 -1.30 4.54 -0.51 -1.44 1.01 0.13 -4.87 121.20 118.75 1j2o s ILE 13 Ca 0.00 0.67 0.11 0.00 0.00 0.00 0.00 60.65 61.43 1j2o s ILE 13 Cb 0.00 -4.39 0.32 0.00 0.01 0.00 0.00 42.46 38.40 1j2o s ILE 13 CO 0.00 -0.77 1.25 0.61 0.00 0.00 0.00 174.94 176.03 1j2o n GLY 14 N 4.91 3.32 1.90 6.18 0.00 -1.26 -4.34 105.19 115.90 1j2o n GLY 14 Ca 0.05 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.08 -1.33 -0.06 1.61 9.92 -1.26 -5.00 116.55 120.34 1j2o n ASP 15 Ca 0.13 -0.92 -0.11 0.00 -0.53 0.00 0.00 54.79 53.36 1j2o n ASP 15 Cb 0.55 -0.54 -0.15 0.00 -0.64 0.00 0.00 41.12 40.34 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 -3.17 0.67 -4.22 -1.24 1.85 -1.26 -4.18 116.66 105.12 1j2o n ARG 16 Ca 0.08 0.14 -0.13 0.00 -1.00 0.00 0.00 57.85 56.95 1j2o n ARG 16 Cb 0.31 -1.64 -0.10 0.00 -1.05 0.00 0.00 32.46 29.98 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 -2.54 1.10 0.36 2.89 5.04 -1.26 -1.25 117.35 121.69 1j2o s TYR 17 Ca -0.11 -0.82 -0.16 0.00 -2.44 0.00 0.00 57.07 53.54 1j2o s TYR 17 Cb 0.07 -0.59 0.04 0.00 0.35 0.00 0.00 41.96 41.84 1j2o s TYR 17 CO 0.81 -0.02 0.75 -0.59 -1.34 0.00 0.00 175.55 175.16 1j2o s PHE 18 N -3.44 0.14 -0.05 4.97 -0.71 -0.34 -4.51 117.98 114.04 1j2o s PHE 18 Ca 0.14 -0.75 0.06 0.00 -1.04 0.00 0.00 56.93 55.35 1j2o s PHE 18 Cb 0.04 0.74 -0.02 0.00 -1.21 0.00 0.00 43.02 42.57 1j2o s PHE 18 CO -0.02 -1.48 -0.22 -0.51 -1.34 0.00 0.00 175.22 171.65 1j2o s LEU 19 N -3.06 2.26 -0.17 -1.99 1.43 -1.26 -0.83 118.68 115.07 1j2o s LEU 19 Ca 0.16 -0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 52.56 1j2o s LEU 19 Cb -0.05 -1.42 0.09 0.00 0.03 0.00 0.00 46.19 44.84 1j2o s LEU 19 CO 0.11 0.28 0.79 -0.75 0.23 0.00 0.00 176.35 177.02 1j2o s LYS 20 N -0.39 0.84 0.00 1.70 2.36 -1.20 -0.12 119.74 122.94 1j2o s LYS 20 Ca 0.03 0.51 0.00 0.00 -2.55 0.00 0.00 55.97 53.96 1j2o s LYS 20 Cb -0.12 0.40 0.00 0.00 -1.05 0.00 0.00 37.83 37.06 1j2o s LYS 20 CO 0.02 -0.20 0.00 0.00 1.55 0.00 0.00 175.35 176.72 1j2o n ALA 21 N 1.59 0.00 -0.33 3.13 0.00 -1.19 -4.18 120.51 119.54 1j2o n ALA 21 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.29 1j2o n ALA 21 Cb 0.56 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.07 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 0.06 0.00 0.00 2.04 -1.80 -3.42 117.51 114.39 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 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 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 -5.50 0.00 -1.59 1.72 2.03 -1.26 -4.99 116.55 106.97 1j2o n ASP 23 Ca 0.10 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.36 1j2o n ASP 23 Cb 0.41 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.79 1j2o n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j2o n GLN 24 N 0.00 0.15 -3.58 -0.67 0.00 -1.26 -5.16 117.38 106.85 1j2o n GLN 24 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 57.00 55.86 1j2o n GLN 24 Cb 0.00 0.75 -0.04 0.00 0.00 0.00 0.00 30.24 30.96 1j2o n GLN 24 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1j2o s TYR 25 N -3.27 3.48 0.00 2.61 2.02 -1.26 -3.15 117.35 117.78 1j2o s TYR 25 Ca 0.10 0.49 0.00 0.00 -0.37 0.00 0.00 57.07 57.28 1j2o s TYR 25 Cb 0.00 -1.97 0.00 0.00 -0.40 0.00 0.00 41.96 39.59 1j2o s TYR 25 CO 0.07 0.33 0.00 0.91 -1.57 0.00 0.00 175.55 175.29 1j2o n TRP 26 N -0.57 0.00 -4.35 2.71 7.02 0.83 -1.55 117.44 121.53 1j2o n TRP 26 Ca -0.03 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.19 1j2o n TRP 26 Cb 0.53 0.00 -0.09 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 -1.19 2.52 0.40 -5.99 3.76 -1.26 -4.00 115.29 109.53 1j2o s HIS 27 Ca 0.00 -0.27 0.07 0.00 -0.15 0.00 0.00 55.06 54.71 1j2o s HIS 27 Cb 0.00 -1.19 0.81 0.00 1.11 0.00 0.00 32.58 33.31 1j2o s HIS 27 CO 0.00 0.57 2.01 0.93 -0.85 0.00 0.00 174.74 177.40 1j2o h GLU 28 N 2.66 0.49 -0.16 1.40 5.08 -1.89 -1.26 114.58 120.90 1j2o h GLU 28 Ca -0.45 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1j2o h GLU 28 Cb 1.22 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1j2o h GLU 28 CO 0.55 0.39 0.00 -3.47 -1.00 0.00 0.00 179.01 175.48 1j2o n ASP 29 N -4.42 2.87 -0.12 1.42 -0.08 -1.26 -4.55 116.55 110.41 1j2o n ASP 29 Ca 0.02 -1.86 -0.25 0.00 -1.51 0.00 0.00 54.79 51.19 1j2o n ASP 29 Cb 0.11 -0.10 -0.08 0.00 2.34 0.00 0.00 41.12 43.39 1j2o n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j2o s LEU 31 N -7.27 3.26 0.00 0.00 0.20 -0.54 -4.87 118.68 109.46 1j2o s LEU 31 Ca -0.33 0.07 0.01 0.00 0.69 0.00 0.00 54.13 54.58 1j2o s LEU 31 Cb 0.12 -2.54 -0.00 0.00 -0.43 0.00 0.00 46.19 43.34 1j2o s LEU 31 CO 0.41 -2.38 0.09 -1.20 -0.29 0.00 0.00 176.35 172.98 1j2o n SER 32 N 12.62 -0.24 -4.59 3.68 7.64 -1.26 -4.28 113.62 127.20 1j2o n SER 32 Ca 0.22 -1.53 -0.42 0.00 1.01 0.00 0.00 58.87 58.15 1j2o n SER 32 Cb 0.51 0.50 -0.03 0.00 -1.01 0.00 0.00 64.21 64.19 1j2o n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j2o h ASP 34 N 12.15 0.00 -0.39 0.00 3.58 -1.86 -0.70 116.42 129.19 1j2o h ASP 34 Ca -0.29 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.09 1j2o h ASP 34 Cb 1.13 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.17 1j2o h ASP 34 CO 1.11 0.76 -0.03 0.25 -2.88 0.00 0.00 179.24 178.46 1j2o h LEU 35 N 0.00 0.71 0.00 2.28 5.85 -1.89 -3.39 115.31 118.87 1j2o h LEU 35 Ca -0.01 -0.33 -0.21 0.00 0.84 0.00 0.00 57.88 58.17 1j2o h LEU 35 Cb 1.41 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1j2o h LEU 35 CO 0.10 0.86 -1.71 0.00 -0.34 0.00 0.00 178.44 177.35 1j2o n GLY 37 N 2.24 1.37 0.00 0.00 0.00 -0.28 -5.09 105.19 103.44 1j2o n GLY 37 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 1.10 0.15 0.03 0.00 6.06 -1.26 -4.03 118.95 120.99 1j2o s ARG 39 Ca 0.00 -0.08 0.02 0.00 -2.50 0.00 0.00 55.73 53.17 1j2o s ARG 39 Cb 0.00 0.05 -0.02 0.00 0.06 0.00 0.00 34.95 35.04 1j2o s ARG 39 CO 0.00 -0.07 -0.07 -0.51 -2.50 0.00 0.00 175.30 172.16 1j2o s LEU 40 N -2.93 2.20 0.00 -0.88 1.43 -1.26 -4.37 118.68 112.86 1j2o s LEU 40 Ca 0.14 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1j2o s LEU 40 Cb 0.06 -0.15 0.00 0.00 0.03 0.00 0.00 46.19 46.13 1j2o s LEU 40 CO -0.06 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 176.98 1j2o n GLY 41 N 1.81 1.00 3.94 -3.19 0.00 -1.26 -4.91 105.19 102.58 1j2o n GLY 41 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1j2o n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j2o s GLU 42 N 0.00 2.00 -0.01 1.61 8.01 -1.26 -4.86 118.70 124.19 1j2o s GLU 42 Ca 0.00 -0.40 0.02 0.00 0.01 0.00 0.00 54.97 54.60 1j2o s GLU 42 Cb 0.00 -2.17 -0.00 0.00 -4.31 0.00 0.00 34.13 27.64 1j2o s GLU 42 CO 0.00 -1.35 -0.08 0.08 0.01 0.00 0.00 175.26 173.92 1j2o s VAL 43 N -3.27 0.67 0.00 2.63 1.01 -1.25 -3.82 120.40 116.38 1j2o s VAL 43 Ca 0.62 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1j2o s VAL 43 Cb -0.09 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1j2o s VAL 43 CO 0.45 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1j2o n GLY 44 N 3.04 0.32 0.00 4.51 0.00 -0.43 -4.81 105.19 107.82 1j2o n GLY 44 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1j2o n GLY 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1j2o n ARG 45 N 0.00 0.00 0.00 1.61 0.63 0.25 -4.60 116.66 114.55 1j2o n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1j2o n ARG 45 Cb 0.13 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.04 1j2o n ARG 45 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1j2o n ARG 46 N 0.00 0.00 0.00 -0.14 1.85 0.12 -4.74 116.66 113.75 1j2o n ARG 46 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1j2o n ARG 46 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1j2o n ARG 46 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1j2o n LEU 47 N 0.00 0.00 -4.26 2.89 7.94 0.37 -2.28 117.00 121.66 1j2o n LEU 47 Ca 0.00 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.46 1j2o n LEU 47 Cb 0.18 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.09 1j2o n LEU 47 CO 0.00 0.00 0.29 -0.72 -1.11 0.00 0.00 177.39 175.85 1j2o s TYR 48 N -1.24 3.64 0.43 1.96 -0.85 -1.25 -4.46 117.35 115.58 1j2o s TYR 48 Ca 0.00 -2.18 0.07 0.00 -0.52 0.00 0.00 57.07 54.44 1j2o s TYR 48 Cb 0.00 -3.63 -0.03 0.00 0.38 0.00 0.00 41.96 38.68 1j2o s TYR 48 CO 0.00 -0.95 0.26 1.52 -1.52 0.00 0.00 175.55 174.86 1j2o s TYR 49 N 0.16 2.55 0.68 -3.49 -0.85 -1.26 -4.31 117.35 110.82 1j2o s TYR 49 Ca 0.17 -0.58 -0.11 0.00 -0.52 0.00 0.00 57.07 56.02 1j2o s TYR 49 Cb -0.14 -2.02 -0.00 0.00 0.38 0.00 0.00 41.96 40.18 1j2o s TYR 49 CO -0.07 0.04 1.05 0.21 -1.52 0.00 0.00 175.55 175.26 1j2o s LYS 50 N -4.01 3.11 0.17 -3.49 2.47 0.23 -4.90 119.74 113.33 1j2o s LYS 50 Ca 0.42 0.82 0.02 0.00 -1.56 0.00 0.00 55.97 55.67 1j2o s LYS 50 Cb 0.01 -2.02 0.45 0.00 -1.46 0.00 0.00 37.83 34.81 1j2o s LYS 50 CO 0.24 -0.94 0.85 1.47 0.16 0.00 0.00 175.35 177.13 1j2o n LEU 51 N -3.01 -0.03 -0.47 5.43 -0.00 -1.26 -1.98 117.00 115.68 1j2o n LEU 51 Ca 0.07 0.92 0.00 0.00 -0.00 0.00 0.00 56.01 57.00 1j2o n LEU 51 Cb 0.54 -0.35 0.01 0.00 -0.00 0.00 0.00 43.42 43.62 1j2o n LEU 51 CO 0.57 -0.94 0.26 0.61 -0.00 0.00 0.00 177.39 177.89 1j2o n GLY 52 N -1.26 0.56 3.24 1.47 0.00 -1.26 -5.07 105.19 102.88 1j2o n GLY 52 Ca 0.14 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.11 0.38 -0.04 1.61 1.70 -0.84 -5.13 118.95 116.52 1j2o s ARG 53 Ca 0.01 0.68 -0.30 0.00 -0.47 0.00 0.00 55.73 55.65 1j2o s ARG 53 Cb 0.01 0.03 -0.04 0.00 -0.57 0.00 0.00 34.95 34.39 1j2o s ARG 53 CO 0.00 -0.13 1.21 -1.59 -1.08 0.00 0.00 175.30 173.72 1j2o s LYS 54 N 1.02 4.36 0.34 3.89 -2.85 -1.26 -0.60 119.74 124.63 1j2o s LYS 54 Ca -0.07 1.70 -0.16 0.00 -1.00 0.00 0.00 55.97 56.45 1j2o s LYS 54 Cb -0.07 -3.54 0.03 0.00 -2.06 0.00 0.00 37.83 32.20 1j2o s LYS 54 CO -0.08 -0.44 0.71 -0.48 0.10 0.00 0.00 175.35 175.16 1j2o s LEU 55 N 2.11 0.06 0.91 2.77 2.34 -1.26 -4.69 118.68 120.92 1j2o s LEU 55 Ca 0.57 -1.00 -0.11 0.00 0.06 0.00 0.00 54.13 53.65 1j2o s LEU 55 Cb -0.26 2.57 0.14 0.00 -0.56 0.00 0.00 46.19 48.08 1j2o s LEU 55 CO 0.23 -1.49 1.09 0.00 -1.06 0.00 0.00 176.35 175.12 1j2o n ARG 57 N -3.97 0.44 0.06 0.00 3.00 -1.26 -3.44 116.66 111.49 1j2o n ARG 57 Ca 0.07 0.12 -0.06 0.00 -0.00 0.00 0.00 57.85 57.99 1j2o n ARG 57 Cb 0.55 -1.32 0.12 0.00 0.00 0.00 0.00 32.46 31.81 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 -0.15 0.33 0.08 -0.14 2.47 -1.89 0.19 114.38 115.27 1j2o h ARG 58 Ca -0.42 -0.20 -0.25 0.00 -1.26 0.00 0.00 59.98 57.85 1j2o h ARG 58 Cb 1.58 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.92 1j2o h ARG 58 CO -0.11 0.79 -1.11 -0.44 0.56 0.00 0.00 179.97 179.66 1j2o h ASP 59 N 0.25 0.41 -0.73 7.04 3.32 -1.95 -2.81 116.42 121.95 1j2o h ASP 59 Ca 0.00 -0.40 -0.03 0.00 0.02 0.00 0.00 57.03 56.62 1j2o h ASP 59 Cb 1.04 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 1j2o h ASP 59 CO 0.09 1.26 0.33 0.22 -1.72 0.00 0.00 179.24 179.42 1j2o h TYR 60 N 0.11 1.10 0.00 4.55 3.20 -1.53 -1.62 116.97 122.78 1j2o h TYR 60 Ca -0.10 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.68 1j2o h TYR 60 Cb 1.80 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 39.73 1j2o h TYR 60 CO 0.06 0.81 -0.14 1.25 -1.64 0.00 0.00 178.16 178.50 1j2o h LEU 61 N 1.07 0.00 -1.71 2.82 5.85 -0.51 0.36 115.31 123.19 1j2o h LEU 61 Ca 0.26 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1j2o h LEU 61 Cb 0.15 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1j2o h LEU 61 CO -0.03 0.14 -0.15 -0.09 -0.34 0.00 0.00 178.44 177.97 1j2o h ARG 62 N 0.00 0.00 0.00 1.25 9.65 -1.03 0.34 114.38 124.59 1j2o h ARG 62 Ca -0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 1j2o h ARG 62 Cb 0.43 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 1j2o h ARG 62 CO 0.02 0.15 -1.15 1.47 2.80 0.00 0.00 179.97 183.26 1j2o n LEU 63 N -3.60 1.38 -0.10 3.80 -0.00 -0.89 -2.43 117.00 115.16 1j2o n LEU 63 Ca -0.01 -0.01 0.08 0.00 -0.00 0.00 0.00 56.01 56.07 1j2o n LEU 63 Cb 0.29 -0.02 0.11 0.00 -0.00 0.00 0.00 43.42 43.80 1j2o n LEU 63 CO 0.31 0.28 0.53 0.61 -0.00 0.00 0.00 177.39 179.12 1j2o n GLY 64 N 3.10 4.11 0.00 1.47 0.00 0.12 -5.00 105.19 109.00 1j2o n GLY 64 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.16 2.73 0.54 -0.02 0.00 -0.58 -4.85 105.19 101.85 1j2o n GLY 65 Ca 0.12 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.86 1j2o n GLY 65 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j2o n SER 66 N 0.00 0.20 0.09 1.61 7.64 -0.78 -4.84 113.62 117.54 1j2o n SER 66 Ca 0.00 -2.07 -0.18 0.00 1.01 0.00 0.00 58.87 57.63 1j2o n SER 66 Cb 0.00 -0.22 -0.14 0.00 -1.01 0.00 0.00 64.21 62.83 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 0.07 0.36 2.00 0.23 0.00 -0.63 0.20 103.07 105.29 1j2o h GLY 67 Ca -0.01 -0.91 -0.10 0.00 0.00 0.00 0.00 47.33 46.30 1j2o h GLY 67 CO 0.01 0.80 -0.48 -1.33 0.00 0.00 0.00 176.54 175.53 1j2o h GLY 68 N 1.35 0.00 0.03 4.60 0.00 -1.54 -2.94 103.07 104.57 1j2o h GLY 68 Ca -0.22 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1j2o h GLY 68 CO 0.19 0.00 -0.01 0.45 0.00 0.00 0.00 176.54 177.17 1j2o h HIS 69 N 0.00 -0.04 0.00 5.60 3.86 -1.84 -3.46 115.15 119.27 1j2o h HIS 69 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1j2o h HIS 69 Cb 1.33 0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.81 1j2o h HIS 69 CO 0.00 -0.02 -0.39 -1.33 0.86 0.00 0.00 177.93 177.04 1j2o n MET 70 N -3.15 0.21 0.00 2.45 2.81 -0.55 -4.90 117.12 114.00 1j2o n MET 70 Ca -0.01 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 1j2o n MET 70 Cb 0.02 -0.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 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 2.17 0.97 2.78 3.03 0.00 0.58 -3.78 105.19 110.94 1j2o n GLY 71 Ca -0.06 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 0.15 3.89 0.00 1.61 7.64 -1.26 -3.29 113.62 122.36 1j2o n SER 72 Ca 0.00 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 57.04 1j2o n SER 72 Cb 0.00 -1.65 0.00 0.00 -1.01 0.00 0.00 64.21 61.55 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 4.17 1.85 4.50 0.23 0.00 -1.21 -4.49 105.19 110.24 1j2o n GLY 73 Ca 0.52 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 1.51 3.44 -0.02 0.00 -1.25 -3.99 105.19 104.88 1j2o n GLY 74 Ca 0.00 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 1j2o n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j2o s ASP 75 N -4.00 4.09 -0.40 1.61 2.15 -1.26 -5.02 116.67 113.84 1j2o s ASP 75 Ca 0.00 -0.24 -0.28 0.00 0.43 0.00 0.00 52.55 52.46 1j2o s ASP 75 Cb 0.00 -1.25 -0.01 0.00 -0.30 0.00 0.00 42.92 41.36 1j2o s ASP 75 CO 0.00 0.26 1.68 -0.69 -0.17 0.00 0.00 175.17 176.25 1j2o s VAL 76 N -0.21 3.60 0.71 1.11 1.01 -1.26 -4.32 120.40 121.04 1j2o s VAL 76 Ca 0.01 0.58 -0.15 0.00 0.00 0.00 0.00 61.98 62.42 1j2o s VAL 76 Cb -0.13 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.40 1j2o s VAL 76 CO 0.03 -0.61 1.17 -0.04 0.00 0.00 0.00 175.10 175.65 1j2o s MET 77 N 5.61 2.32 0.00 2.72 1.00 -1.17 -4.83 119.30 124.95 1j2o s MET 77 Ca 0.72 1.62 0.02 0.00 0.00 0.00 0.00 55.69 58.05 1j2o s MET 77 Cb -0.18 -1.87 0.12 0.00 0.00 0.00 0.00 34.83 32.89 1j2o s MET 77 CO 0.31 -1.66 0.96 1.33 0.00 0.00 0.00 175.02 175.96 1j2o n VAL 78 N -2.68 1.36 0.51 -6.03 0.24 -1.26 -0.58 118.33 109.88 1j2o n VAL 78 Ca 0.12 0.34 0.12 0.00 -2.04 0.00 0.00 64.34 62.89 1j2o n VAL 78 Cb 0.51 -1.30 0.45 0.00 -1.47 0.00 0.00 33.84 32.04 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 -1.37 0.71 0.00 3.34 0.31 -1.26 -4.87 118.33 115.19 1j2o n VAL 79 Ca 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1j2o n VAL 79 Cb 0.02 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 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 0.61 0.79 3.45 2.92 0.00 0.25 -5.07 105.19 108.14 1j2o n GLY 80 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1j2o n GLY 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1j2o s GLU 81 N -0.46 0.92 0.00 1.61 -1.05 -1.18 -4.91 118.70 113.63 1j2o s GLU 81 Ca 0.00 0.20 0.00 0.00 -0.15 0.00 0.00 54.97 55.02 1j2o s GLU 81 Cb 0.00 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 1j2o s GLU 81 CO 0.00 -0.27 0.00 -2.30 0.95 0.00 0.00 175.26 173.64 1j2o n PRO 82 N 1.19 3.63 0.00 -4.83 -0.02 -1.26 -3.04 135.00 130.67 1j2o n PRO 82 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1j2o n PRO 82 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 1j2o n PRO 82 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1j2o n THR 83 N 0.00 0.00 -4.64 3.45 -2.24 -1.26 -4.79 114.28 104.80 1j2o n THR 83 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1j2o n THR 83 Cb 0.00 -0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 68.01 1j2o n THR 83 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1j2o s LEU 84 N 0.00 2.69 0.09 3.22 1.43 -1.26 -4.98 118.68 119.87 1j2o s LEU 84 Ca 0.00 -1.45 -0.19 0.00 -1.03 0.00 0.00 54.13 51.46 1j2o s LEU 84 Cb 0.00 -0.87 -0.08 0.00 0.03 0.00 0.00 46.19 45.28 1j2o s LEU 84 CO 0.00 -0.59 1.58 -0.03 0.23 0.00 0.00 176.35 177.54 1j2o h MET 85 N 1.61 0.39 -2.98 1.70 4.05 -1.96 -2.51 114.93 115.23 1j2o h MET 85 Ca -0.44 -0.10 -0.80 0.00 -0.28 0.00 0.00 59.70 58.09 1j2o h MET 85 Cb 1.27 -0.05 -0.25 0.00 -0.80 0.00 0.00 31.60 31.76 1j2o h MET 85 CO 0.78 0.50 1.07 0.41 0.23 0.00 0.00 176.91 179.90 1j2o n GLY 86 N -0.53 5.17 0.20 1.39 0.00 -1.26 -3.96 105.19 106.20 1j2o n GLY 86 Ca -0.03 -2.54 0.00 0.00 0.00 0.00 0.00 46.02 43.44 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 1.51 -0.00 3.08 -0.02 0.00 -0.95 -4.34 105.19 104.47 1j2o n GLY 87 Ca 0.31 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.22 3.69 -0.45 1.61 1.02 -1.21 -4.51 120.64 120.57 1j2o n GLU 88 Ca 0.00 -3.84 -0.26 0.00 -0.02 0.00 0.00 57.16 53.04 1j2o n GLU 88 Cb 0.06 -2.86 0.23 0.00 -0.02 0.00 0.00 31.44 28.85 1j2o n GLU 88 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1j2o n PHE 89 N 3.84 -3.61 0.00 -0.32 3.72 -1.26 -4.86 117.46 114.96 1j2o n PHE 89 Ca 0.36 -0.75 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 1j2o n PHE 89 Cb 0.38 -1.02 0.00 0.00 -0.94 0.00 0.00 39.48 37.90 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 -4.41 0.33 0.00 1.37 0.00 -1.26 -4.44 105.19 96.77 1j2o n GLY 90 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 1.61 5.68 -1.26 -4.95 116.55 117.63 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 -0.62 -1.33 0.00 0.00 177.20 175.25 1j2o n GLU 92 N -0.98 0.00 -0.04 0.11 4.71 -1.26 -4.88 120.64 118.29 1j2o n GLU 92 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1j2o n GLU 92 Cb 0.00 -0.57 0.00 0.00 -1.01 0.00 0.00 31.44 29.86 1j2o n GLU 92 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1j2o n ASP 93 N -2.88 0.00 -1.16 1.62 5.75 -1.26 -5.09 116.55 113.54 1j2o n ASP 93 Ca 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 54.79 53.70 1j2o n ASP 93 Cb 0.47 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 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 0.00 0.00 0.00 0.11 1.02 -1.26 -4.92 120.64 115.59 1j2o n GLU 94 Ca 0.00 0.46 0.13 0.00 -0.02 0.00 0.00 57.16 57.73 1j2o n GLU 94 Cb 0.52 -0.70 0.78 0.00 -0.02 0.00 0.00 31.44 32.02 1j2o n GLU 94 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1j2o n ARG 95 N 0.16 0.79 -0.68 3.49 0.63 -1.26 -4.16 116.66 115.62 1j2o n ARG 95 Ca 0.00 0.01 -0.23 0.00 -0.92 0.00 0.00 57.85 56.71 1j2o n ARG 95 Cb 0.00 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 31.42 1j2o n ARG 95 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1j2o n LEU 96 N -1.03 -2.87 0.00 6.15 4.77 -1.26 0.14 117.00 122.89 1j2o n LEU 96 Ca 0.19 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1j2o n LEU 96 Cb 0.11 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1j2o n LEU 96 CO 0.16 -3.23 0.00 -0.38 -1.33 0.00 0.00 177.39 172.61 1j2o n ILE 97 N -1.18 0.00 -3.68 -0.08 -0.00 -1.25 0.85 119.36 114.02 1j2o n ILE 97 Ca 0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 62.75 62.63 1j2o n ILE 97 Cb 0.31 -0.22 -0.07 0.00 -0.00 0.00 0.00 39.64 39.65 1j2o n ILE 97 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 1j2o s THR 98 N 0.00 0.05 -0.23 1.39 -1.32 -1.26 -2.90 115.64 111.37 1j2o s THR 98 Ca 0.00 -0.41 -0.08 0.00 -1.21 0.00 0.00 61.69 59.98 1j2o s THR 98 Cb 0.00 -0.85 -0.04 0.00 -1.51 0.00 0.00 72.50 70.10 1j2o s THR 98 CO 0.00 -0.23 0.10 -0.13 -2.21 0.00 0.00 174.62 172.15 1j2o s ARG 99 N -1.95 3.86 0.47 7.08 1.81 -1.26 -3.22 118.95 125.73 1j2o s ARG 99 Ca -0.09 -0.38 0.05 0.00 -1.72 0.00 0.00 55.73 53.59 1j2o s ARG 99 Cb -0.02 -3.38 -0.03 0.00 -0.45 0.00 0.00 34.95 31.06 1j2o s ARG 99 CO 0.01 -0.02 0.11 -1.17 -0.68 0.00 0.00 175.30 173.55 1j2o s LEU 100 N 1.21 2.70 -0.14 2.53 2.96 -0.01 -5.00 118.68 122.94 1j2o s LEU 100 Ca 0.05 -1.38 -0.07 0.00 -0.22 0.00 0.00 54.13 52.51 1j2o s LEU 100 Cb -0.14 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 1j2o s LEU 100 CO 0.04 -0.71 0.13 -1.83 -1.32 0.00 0.00 176.35 172.66 1j2o s GLU 101 N -3.90 3.60 -0.21 1.98 -1.05 -1.26 -1.19 118.70 116.66 1j2o s GLU 101 Ca 0.26 -0.17 -0.16 0.00 -0.15 0.00 0.00 54.97 54.75 1j2o s GLU 101 Cb 0.04 -3.22 -0.19 0.00 -0.44 0.00 0.00 34.13 30.32 1j2o s GLU 101 CO 0.14 0.65 0.10 -1.71 0.95 0.00 0.00 175.26 175.39 1j2o n ASN 102 N 2.38 1.93 0.00 0.83 5.15 -0.38 -4.84 115.26 120.34 1j2o n ASN 102 Ca -0.19 0.34 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 1j2o n ASN 102 Cb 0.54 -0.89 0.00 0.00 -0.53 0.00 0.00 39.78 38.90 1j2o n ASN 102 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1j2o n THR 103 N -4.16 0.00 -2.71 -0.44 -1.04 -0.50 -5.00 114.28 100.42 1j2o n THR 103 Ca -0.38 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.56 1j2o n THR 103 Cb 0.81 -0.15 0.10 0.00 -1.82 0.00 0.00 70.33 69.26 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 0.82 -3.77 -2.82 10.64 -1.26 -5.06 117.38 115.93 1j2o n GLN 104 Ca 0.00 -1.63 -0.28 0.00 -1.83 0.00 0.00 57.00 53.26 1j2o n GLN 104 Cb 0.00 -0.78 -0.12 0.00 -0.86 0.00 0.00 30.24 28.49 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 0.21 2.88 -0.13 2.61 0.08 -1.26 -4.93 117.98 117.44 1j2o s PHE 105 Ca 0.21 -3.05 -0.27 0.00 0.12 0.00 0.00 56.93 53.95 1j2o s PHE 105 Cb 0.29 -2.23 -0.24 0.00 -0.57 0.00 0.00 43.02 40.27 1j2o s PHE 105 CO -0.09 -0.63 0.77 0.22 -0.10 0.00 0.00 175.22 175.40 1j2o h ASP 106 N 5.55 -0.00 -0.17 1.36 1.82 -1.97 -3.31 116.42 119.68 1j2o h ASP 106 Ca 0.16 -0.88 -0.00 0.00 -0.39 0.00 0.00 57.03 55.92 1j2o h ASP 106 Cb 0.80 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.81 1j2o h ASP 106 CO 0.62 0.91 0.00 0.00 -1.61 0.00 0.00 179.24 179.17 1j2o n ALA 107 N -2.59 2.92 1.43 -0.78 0.00 -1.26 -3.49 120.51 116.74 1j2o n ALA 107 Ca -0.09 -0.57 0.09 0.00 0.00 0.00 0.00 53.44 52.87 1j2o n ALA 107 Cb 0.43 -1.04 0.38 0.00 0.00 0.00 0.00 19.45 19.22 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 0.18 2.53 -0.41 0.00 0.00 -1.25 -1.54 120.51 120.03 1j2o n ALA 108 Ca 0.08 -0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.02 1j2o n ALA 108 Cb 0.54 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.90 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 0.02 5.16 0.00 0.00 5.15 -1.23 -4.64 115.26 119.72 1j2o n ASN 109 Ca 0.14 -2.73 0.00 0.00 -0.60 0.00 0.00 54.58 51.40 1j2o n ASN 109 Cb 0.24 -0.93 0.00 0.00 -0.53 0.00 0.00 39.78 38.56 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 0.50 0.74 0.00 8.20 0.00 -1.26 -5.03 105.19 108.35 1j2o n GLY 110 Ca 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.44 0.00 -3.15 -0.61 2.08 -1.10 -5.12 119.36 109.02 1j2o n ILE 111 Ca 0.00 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.36 1j2o n ILE 111 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 38.88 1j2o n ILE 111 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1j2o s ASP 112 N -0.43 -0.55 0.41 4.38 2.15 -0.59 -4.98 116.67 117.06 1j2o s ASP 112 Ca 0.00 0.19 0.08 0.00 0.43 0.00 0.00 52.55 53.25 1j2o s ASP 112 Cb 0.00 1.40 -0.02 0.00 -0.30 0.00 0.00 42.92 44.00 1j2o s ASP 112 CO 0.00 -0.10 0.35 -0.62 -0.17 0.00 0.00 175.17 174.63 1j2o s ASP 113 N 2.94 4.98 0.00 -0.34 -1.08 -1.22 -4.86 116.67 117.09 1j2o s ASP 113 Ca 0.13 -0.78 0.04 0.00 -0.52 0.00 0.00 52.55 51.43 1j2o s ASP 113 Cb -0.07 -0.58 0.25 0.00 -1.46 0.00 0.00 42.92 41.07 1j2o s ASP 113 CO -0.18 -0.63 0.73 1.21 0.52 0.00 0.00 175.17 176.82