#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jna s LYS 2 N 0.00 4.30 0.03 0.03 3.01 -1.26 -5.05 119.74 120.80 2jna s LYS 2 Ca 0.00 1.32 -0.18 0.00 -1.01 0.00 0.00 55.97 56.10 2jna s LYS 2 Cb 0.00 -2.48 0.03 0.00 -1.01 0.00 0.00 37.83 34.37 2jna s LYS 2 CO 0.00 0.02 0.40 -1.59 0.51 0.00 0.00 175.35 174.69 2jna s LYS 3 N -2.61 0.89 0.03 1.68 -2.85 -1.26 -5.17 119.74 110.46 2jna s LYS 3 Ca 0.57 -0.33 0.01 0.00 -1.00 0.00 0.00 55.97 55.22 2jna s LYS 3 Cb -0.16 0.40 -0.02 0.00 -2.06 0.00 0.00 37.83 35.98 2jna s LYS 3 CO 0.21 -0.30 -0.05 -0.98 0.10 0.00 0.00 175.35 174.33 2jna s ARG 4 N -2.32 0.43 -0.36 1.78 1.70 -1.26 -5.13 118.95 113.79 2jna s ARG 4 Ca -0.06 -0.72 -0.14 0.00 -0.47 0.00 0.00 55.73 54.34 2jna s ARG 4 Cb -0.01 -0.07 -0.01 0.00 -0.57 0.00 0.00 34.95 34.29 2jna s ARG 4 CO -0.01 -0.01 0.28 -1.50 -1.08 0.00 0.00 175.30 172.98 2jna s ILE 5 N -1.60 5.26 -0.03 4.99 2.07 -1.26 -5.06 121.20 125.57 2jna s ILE 5 Ca -0.12 -0.31 0.06 0.00 -1.41 0.00 0.00 60.65 58.87 2jna s ILE 5 Cb -0.09 -3.80 -0.02 0.00 0.13 0.00 0.00 42.46 38.68 2jna s ILE 5 CO -0.01 -0.12 -0.21 0.27 -1.91 0.00 0.00 174.94 172.96 2jna s ILE 6 N 1.76 2.45 -0.32 2.00 -4.36 -1.26 -5.10 121.20 116.38 2jna s ILE 6 Ca 0.07 -0.96 0.01 0.00 -0.26 0.00 0.00 60.65 59.50 2jna s ILE 6 Cb -0.18 -1.90 0.10 0.00 1.25 0.00 0.00 42.46 41.73 2jna s ILE 6 CO 0.11 0.58 0.08 0.00 0.24 0.00 0.00 174.94 175.95 2jna s ALA 7 N -0.66 1.92 0.00 2.27 0.00 -1.26 -5.04 121.76 118.98 2jna s ALA 7 Ca 0.11 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.15 2jna s ALA 7 Cb -0.10 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.30 2jna s ALA 7 CO -0.00 -1.67 0.69 0.00 0.00 0.00 0.00 175.76 174.78 2jna n ALA 8 N 4.68 -0.31 -3.49 0.00 0.00 -1.26 -4.87 120.51 115.26 2jna n ALA 8 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2jna n ALA 8 Cb 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.71 2jna n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jna s ALA 9 N -2.92 0.23 -0.65 0.00 0.00 -1.26 -5.10 121.76 112.06 2jna s ALA 9 Ca 0.00 0.13 -0.15 0.00 0.00 0.00 0.00 51.96 51.94 2jna s ALA 9 Cb 0.00 -0.23 0.16 0.00 0.00 0.00 0.00 23.12 23.06 2jna s ALA 9 CO 0.00 -0.05 0.60 -0.48 0.00 0.00 0.00 175.76 175.83 2jna s LEU 10 N 0.74 6.38 -0.10 0.00 2.34 -1.26 -5.02 118.68 121.76 2jna s LEU 10 Ca -0.07 -2.16 -0.01 0.00 0.06 0.00 0.00 54.13 51.94 2jna s LEU 10 Cb -0.10 -2.20 0.03 0.00 -0.56 0.00 0.00 46.19 43.36 2jna s LEU 10 CO -0.02 -0.73 -0.02 -0.76 -1.06 0.00 0.00 176.35 173.77 2jna s LEU 11 N 1.00 0.85 -0.61 1.48 1.43 -1.26 -5.09 118.68 116.49 2jna s LEU 11 Ca 0.09 -0.25 -0.27 0.00 -1.03 0.00 0.00 54.13 52.66 2jna s LEU 11 Cb -0.22 -0.58 0.01 0.00 0.03 0.00 0.00 46.19 45.43 2jna s LEU 11 CO -0.02 -0.19 1.43 0.00 0.23 0.00 0.00 176.35 177.80 2jna s ALA 12 N 1.88 2.72 0.14 4.21 0.00 -1.26 -4.85 121.76 124.61 2jna s ALA 12 Ca 0.04 -0.85 0.29 0.00 0.00 0.00 0.00 51.96 51.45 2jna s ALA 12 Cb -0.13 -4.16 1.20 0.00 0.00 0.00 0.00 23.12 20.03 2jna s ALA 12 CO -0.06 -3.13 1.93 0.00 0.00 0.00 0.00 175.76 174.49 2jna h THR 13 N 6.35 0.27 -4.97 0.00 1.03 -2.02 -3.48 112.91 110.08 2jna h THR 13 Ca -0.27 -0.76 0.00 0.00 -0.01 0.00 0.00 66.41 65.37 2jna h THR 13 Cb 1.09 1.60 0.00 0.00 -1.07 0.00 0.00 68.15 69.77 2jna h THR 13 CO 1.21 0.10 -0.53 0.52 -0.01 0.00 0.00 175.52 176.80 2jna n VAL 14 N -3.25-10.20 -3.70 0.00 0.31 -1.26 -5.00 118.33 95.23 2jna n VAL 14 Ca 0.00 0.97 -0.27 0.00 -0.01 0.00 0.00 64.34 65.03 2jna n VAL 14 Cb 0.35 -6.84 -0.11 0.00 -0.91 0.00 0.00 33.84 26.33 2jna n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jna n ALA 15 N -0.12 3.53 -2.57 3.52 0.00 -1.26 -5.07 120.51 118.54 2jna n ALA 15 Ca 0.08 -4.45 -0.43 0.00 0.00 0.00 0.00 53.44 48.65 2jna n ALA 15 Cb 0.32 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 2jna n ALA 15 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jna s SER 16 N -1.63 6.52 0.27 0.00 0.01 -1.26 -4.74 113.70 112.87 2jna s SER 16 Ca 0.30 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.75 2jna s SER 16 Cb 0.03 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2jna s SER 16 CO -0.13 -0.93 0.00 0.49 0.41 0.00 0.00 173.24 173.09 2jna n PHE 17 N 6.86 -2.45 -3.59 2.43 3.72 -1.26 -5.13 117.46 118.04 2jna n PHE 17 Ca 0.05 0.45 -0.02 0.00 -0.05 0.00 0.00 57.45 57.87 2jna n PHE 17 Cb 0.48 0.65 -0.06 0.00 -0.94 0.00 0.00 39.48 39.62 2jna n PHE 17 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2jna s SER 18 N -4.85 -0.71 0.00 4.37 1.04 -1.26 -5.05 113.70 107.24 2jna s SER 18 Ca 0.00 1.07 -0.02 0.00 0.48 0.00 0.00 55.95 57.48 2jna s SER 18 Cb 0.00 1.50 -0.07 0.00 0.10 0.00 0.00 66.02 67.55 2jna s SER 18 CO 0.00 -0.16 2.27 0.35 0.98 0.00 0.00 173.24 176.68 2jna n THR 19 N 4.37 2.09 -1.89 2.02 -2.24 -1.26 -4.73 114.28 112.63 2jna n THR 19 Ca -0.16 -0.73 -0.42 0.00 -2.27 0.00 0.00 64.05 60.48 2jna n THR 19 Cb 0.56 -1.60 -0.01 0.00 -2.10 0.00 0.00 70.33 67.17 2jna n THR 19 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2jna n LEU 20 N 1.85 5.80 0.00 3.22 4.77 -1.26 -2.49 117.00 128.89 2jna n LEU 20 Ca 0.12 -3.87 0.00 0.00 -0.03 0.00 0.00 56.01 52.23 2jna n LEU 20 Cb 0.57 -1.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 2jna n LEU 20 CO 0.04 0.51 0.00 0.00 -1.33 0.00 0.00 177.39 176.61 2jna n ALA 21 N 7.33 0.00 -4.02 -1.18 0.00 -1.26 -5.13 120.51 116.24 2jna n ALA 21 Ca 0.51 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.63 2jna n ALA 21 Cb 0.41 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.71 2jna n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jna s ALA 22 N 0.00 2.22 0.00 0.00 0.00 -1.04 -5.03 121.76 117.92 2jna s ALA 22 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.53 2jna s ALA 22 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.71 2jna s ALA 22 CO 0.00 -0.97 0.00 -1.91 0.00 0.00 0.00 175.76 172.88 2jna n GLU 23 N 4.59 0.00 -3.48 0.00 2.13 -1.26 -4.97 120.64 117.64 2jna n GLU 23 Ca -0.15 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.54 2jna n GLU 23 Cb 0.45 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.12 2jna n GLU 23 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 2jna s GLN 24 N 0.00 1.06 0.02 5.31 -0.44 -1.26 -4.77 119.66 119.58 2jna s GLN 24 Ca 0.00 -0.14 0.06 0.00 -2.50 0.00 0.00 55.36 52.79 2jna s GLN 24 Cb 0.00 0.49 -0.03 0.00 -1.64 0.00 0.00 33.01 31.83 2jna s GLN 24 CO 0.00 -0.41 -0.17 0.14 0.50 0.00 0.00 175.29 175.35 2jna s VAL 25 N -2.52 2.84 0.00 1.34 -7.23 -1.25 -5.04 120.40 108.54 2jna s VAL 25 Ca -0.03 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 2jna s VAL 25 Cb -0.01 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.76 2jna s VAL 25 CO -0.03 0.40 0.00 -0.24 -0.31 0.00 0.00 175.10 174.92 2jna n SER 26 N 1.73 0.00 0.00 4.85 2.88 -1.26 -4.46 113.62 117.35 2jna n SER 26 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2jna n SER 26 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2jna n SER 26 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2jna n LYS 27 N 0.00 0.00 -0.07 -1.46 0.00 -1.26 -4.80 118.16 110.57 2jna n LYS 27 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.24 2jna n LYS 27 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 35.03 34.87 2jna n LYS 27 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2jna h GLN 28 N 0.00 0.01 -0.28 1.64 1.08 -1.99 -1.20 115.11 114.37 2jna h GLN 28 Ca 0.00 -0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 2jna h GLN 28 Cb 0.00 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2jna h GLN 28 CO 0.00 0.01 -0.18 0.93 -0.95 0.00 0.00 178.83 178.64 2jna h GLU 29 N 0.01 0.62 -0.56 1.46 3.07 -1.98 -2.73 114.58 114.47 2jna h GLU 29 Ca 0.14 -0.29 -0.02 0.00 -0.50 0.00 0.00 59.36 58.69 2jna h GLU 29 Cb 0.20 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.08 2jna h GLU 29 CO -0.28 0.87 0.28 0.82 -1.40 0.00 0.00 179.01 179.31 2jna h ILE 30 N 0.35 1.20 0.00 3.13 2.04 -1.75 0.21 117.51 122.69 2jna h ILE 30 Ca 0.06 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 2jna h ILE 30 Cb 0.71 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2jna h ILE 30 CO 0.05 0.22 -0.28 0.28 0.00 0.00 0.00 178.15 178.42 2jna h SER 31 N 0.75 0.00 0.33 1.72 0.02 -1.26 0.15 113.55 115.26 2jna h SER 31 Ca 0.19 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.82 2jna h SER 31 Cb 0.09 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 2jna h SER 31 CO -0.03 0.28 -1.88 1.57 -1.14 0.00 0.00 176.83 175.63 2jna n HIS 32 N -3.40 0.93 0.37 3.45 -0.00 -0.81 -4.36 115.22 111.41 2jna n HIS 32 Ca 0.00 0.29 0.05 0.00 -0.00 0.00 0.00 57.72 58.06 2jna n HIS 32 Cb 0.48 -1.16 -0.07 0.00 -0.00 0.00 0.00 29.99 29.25 2jna n HIS 32 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 2jna n PHE 33 N -3.13 0.00 -2.42 1.57 3.72 0.69 -1.79 117.46 116.10 2jna n PHE 33 Ca -0.23 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.13 2jna n PHE 33 Cb 1.06 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 2jna n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2jna n LYS 34 N -1.40 -1.92 -3.35 -1.08 4.76 0.50 -4.56 118.16 111.11 2jna n LYS 34 Ca 0.01 1.79 -0.33 0.00 -2.87 0.00 0.00 58.31 56.91 2jna n LYS 34 Cb 0.19 -4.35 -0.06 0.00 -1.84 0.00 0.00 35.03 28.98 2jna n LYS 34 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jna s LEU 35 N -1.84 4.23 -0.20 -0.35 1.43 -1.16 -5.03 118.68 115.75 2jna s LEU 35 Ca 0.12 1.04 -0.25 0.00 -1.03 0.00 0.00 54.13 54.01 2jna s LEU 35 Cb -0.03 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 2jna s LEU 35 CO 0.55 -0.02 0.81 0.68 0.23 0.00 0.00 176.35 178.60 2jna s VAL 36 N -1.69 4.88 -0.30 -1.59 -7.23 -1.26 -5.01 120.40 108.20 2jna s VAL 36 Ca 0.44 1.57 -0.24 0.00 -1.81 0.00 0.00 61.98 61.94 2jna s VAL 36 Cb -0.13 -4.11 0.00 0.00 0.56 0.00 0.00 36.38 32.70 2jna s VAL 36 CO 0.20 -0.00 0.83 -0.75 -0.31 0.00 0.00 175.10 175.07 2jna s LYS 37 N 2.37 4.01 0.21 4.82 2.20 -1.26 -2.15 119.74 129.94 2jna s LYS 37 Ca 0.36 0.70 0.11 0.00 -0.36 0.00 0.00 55.97 56.79 2jna s LYS 37 Cb -0.16 -3.72 0.02 0.00 -1.51 0.00 0.00 37.83 32.47 2jna s LYS 37 CO 0.10 -0.68 1.41 0.28 -0.36 0.00 0.00 175.35 176.11 2jna h VAL 38 N 5.59 1.34 0.00 4.02 2.07 -0.22 -3.49 116.25 125.56 2jna h VAL 38 Ca -0.24 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 64.56 2jna h VAL 38 Cb 1.09 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 2jna h VAL 38 CO 0.90 0.73 0.00 0.61 0.02 0.00 0.00 177.57 179.83 2jna n GLY 39 N 1.08 -1.89 2.92 2.17 0.00 -1.19 -5.00 105.19 103.29 2jna n GLY 39 Ca 0.00 -1.15 -0.25 0.00 0.00 0.00 0.00 46.02 44.62 2jna n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jna s THR 40 N -2.40 0.95 0.36 2.61 2.01 -1.26 -0.03 115.64 117.88 2jna s THR 40 Ca 0.00 -0.29 0.09 0.00 0.31 0.00 0.00 61.69 61.80 2jna s THR 40 Cb 0.00 -0.95 -0.07 0.00 0.01 0.00 0.00 72.50 71.49 2jna s THR 40 CO 0.00 0.34 -0.07 0.27 -0.69 0.00 0.00 174.62 174.47 2jna s ILE 41 N 1.39 2.16 -0.02 1.82 -4.36 0.34 -4.99 121.20 117.54 2jna s ILE 41 Ca -0.02 -2.16 -0.09 0.00 -0.26 0.00 0.00 60.65 58.13 2jna s ILE 41 Cb -0.14 -2.72 0.01 0.00 1.25 0.00 0.00 42.46 40.87 2jna s ILE 41 CO -0.04 -0.16 0.18 0.54 0.24 0.00 0.00 174.94 175.70 2jna s ASN 42 N -3.62 -0.07 0.03 4.36 2.20 -1.26 -0.10 114.94 116.48 2jna s ASN 42 Ca 0.33 -0.01 -0.11 0.00 -0.94 0.00 0.00 52.86 52.13 2jna s ASN 42 Cb 0.04 0.28 -0.06 0.00 -2.00 0.00 0.00 41.25 39.51 2jna s ASN 42 CO 0.17 -0.31 0.37 -0.69 -2.94 0.00 0.00 177.10 173.70 2jna s VAL 43 N -1.01 5.12 -0.52 3.54 1.01 0.20 -4.91 120.40 123.83 2jna s VAL 43 Ca -0.11 0.56 0.07 0.00 0.00 0.00 0.00 61.98 62.50 2jna s VAL 43 Cb -0.06 -3.64 0.19 0.00 0.00 0.00 0.00 36.38 32.87 2jna s VAL 43 CO 0.02 0.44 0.73 -0.24 0.00 0.00 0.00 175.10 176.04 2jna n SER 44 N 1.37 -3.40 -4.55 3.32 2.88 -1.23 -2.06 113.62 109.96 2jna n SER 44 Ca -0.12 -2.92 -0.30 0.00 -1.33 0.00 0.00 58.87 54.21 2jna n SER 44 Cb 0.53 1.72 -0.10 0.00 -0.75 0.00 0.00 64.21 65.60 2jna n SER 44 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2jna s GLN 45 N 0.85 2.03 -0.30 -1.46 1.11 -1.16 -4.95 119.66 115.78 2jna s GLN 45 Ca 0.30 -1.07 -0.04 0.00 0.01 0.00 0.00 55.36 54.56 2jna s GLN 45 Cb 0.01 -2.25 0.03 0.00 -1.01 0.00 0.00 33.01 29.78 2jna s GLN 45 CO -0.06 0.50 0.04 0.45 0.01 0.00 0.00 175.29 176.23 2jna s SER 46 N -2.21 4.93 0.00 5.90 0.15 -1.26 -1.43 113.70 119.78 2jna s SER 46 Ca 0.21 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.89 2jna s SER 46 Cb -0.11 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 2jna s SER 46 CO 0.13 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.96 2jna n GLY 47 N 4.75 0.40 3.19 9.45 0.00 0.14 -4.72 105.19 118.40 2jna n GLY 47 Ca -0.14 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 2jna n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jna n GLY 48 N 0.00 2.94 0.00 -0.02 0.00 -1.26 -4.03 105.19 102.82 2jna n GLY 48 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2jna n GLY 48 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jna n GLN 49 N 7.31 1.20 -3.94 1.61 1.13 -1.26 -5.02 117.38 118.40 2jna n GLN 49 Ca 0.49 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 55.32 2jna n GLN 49 Cb 0.43 -0.96 -0.17 0.00 0.11 0.00 0.00 30.24 29.65 2jna n GLN 49 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2jna s ILE 50 N -1.92 0.60 0.00 5.09 1.01 -1.26 -4.88 121.20 119.85 2jna s ILE 50 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.59 2jna s ILE 50 Cb 0.00 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.79 2jna s ILE 50 CO 0.00 0.28 0.00 -1.20 0.00 0.00 0.00 174.94 174.02 2jna n SER 51 N 4.75 0.00 -4.59 3.58 7.64 -1.26 -5.01 113.62 118.73 2jna n SER 51 Ca -0.14 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.48 2jna n SER 51 Cb 0.50 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.61 2jna n SER 51 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jna s SER 52 N -0.80 4.36 0.60 6.43 1.04 -1.26 -5.02 113.70 119.05 2jna s SER 52 Ca 0.00 -0.55 0.30 0.00 0.48 0.00 0.00 55.95 56.17 2jna s SER 52 Cb 0.00 -0.78 1.70 0.00 0.10 0.00 0.00 66.02 67.04 2jna s SER 52 CO 0.00 0.09 2.11 1.55 0.98 0.00 0.00 173.24 177.97 2jna h PRO 53 N 2.80 0.00 -0.50 4.02 0.13 -2.02 -0.92 132.00 135.51 2jna h PRO 53 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.56 2jna h PRO 53 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2jna h PRO 53 CO 0.55 0.00 -0.10 0.66 -0.23 0.00 0.00 178.00 178.88 2jna h SER 54 N 0.00 0.96 -0.84 1.44 4.64 -2.00 -3.02 113.55 114.73 2jna h SER 54 Ca 0.08 -0.35 0.03 0.00 -0.47 0.00 0.00 61.79 61.08 2jna h SER 54 Cb 0.47 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 62.25 2jna h SER 54 CO -0.00 1.09 0.54 0.44 -0.87 0.00 0.00 176.83 178.03 2jna h ASP 55 N 0.81 0.89 -0.34 4.97 3.32 -1.51 -0.06 116.42 124.50 2jna h ASP 55 Ca 0.13 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 2jna h ASP 55 Cb 0.66 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2jna h ASP 55 CO 0.05 0.61 0.14 0.25 -1.72 0.00 0.00 179.24 178.57 2jna h LEU 56 N 1.05 0.47 -0.88 1.55 5.85 -1.60 -2.79 115.31 118.96 2jna h LEU 56 Ca 0.34 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2jna h LEU 56 Cb 0.01 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2jna h LEU 56 CO -0.12 0.51 0.50 -0.09 -0.34 0.00 0.00 178.44 178.90 2jna h ARG 57 N 0.40 1.22 -0.17 1.25 2.43 -1.21 -0.29 114.38 118.00 2jna h ARG 57 Ca 0.11 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2jna h ARG 57 Cb 0.19 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2jna h ARG 57 CO -0.01 0.88 0.12 0.93 -1.51 0.00 0.00 179.97 180.37 2jna h GLU 58 N 1.22 0.12 0.06 0.20 4.39 -0.77 0.30 114.58 120.10 2jna h GLU 58 Ca 0.31 -0.01 -0.36 0.00 0.34 0.00 0.00 59.36 59.65 2jna h GLU 58 Cb -0.00 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 2jna h GLU 58 CO -0.05 0.08 -2.11 1.63 -1.16 0.00 0.00 179.01 177.39 2jna n LYS 59 N -4.51 0.70 -0.10 2.33 4.01 -0.92 -3.11 118.16 116.58 2jna n LYS 59 Ca 0.00 0.21 -0.14 0.00 -0.51 0.00 0.00 58.31 57.88 2jna n LYS 59 Cb 0.16 -1.65 -0.02 0.00 -0.51 0.00 0.00 35.03 33.00 2jna n LYS 59 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2jna h LEU 60 N 0.03 0.97 -0.77 -0.35 3.38 -0.83 -1.52 115.31 116.23 2jna h LEU 60 Ca -0.45 -0.48 -0.12 0.00 0.09 0.00 0.00 57.88 56.92 2jna h LEU 60 Cb 2.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 2jna h LEU 60 CO 0.03 1.28 -0.40 -1.28 0.09 0.00 0.00 178.44 178.16 2jna h SER 61 N 0.71 0.48 -0.22 -0.43 0.87 -1.13 -1.28 113.55 112.55 2jna h SER 61 Ca 0.04 -0.21 0.03 0.00 -1.23 0.00 0.00 61.79 60.43 2jna h SER 61 Cb 1.05 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.85 2jna h SER 61 CO 0.11 0.83 0.01 -0.08 -0.53 0.00 0.00 176.83 177.16 2jna h GLU 62 N 0.38 0.08 -0.00 2.24 4.81 -1.43 -0.21 114.58 120.45 2jna h GLU 62 Ca 0.04 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.11 2jna h GLU 62 Cb 0.86 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 2jna h GLU 62 CO 0.07 0.05 -0.73 -0.07 -0.73 0.00 0.00 179.01 177.60 2jna h LEU 63 N 0.08 0.03 0.06 1.64 3.38 -1.18 -2.72 115.31 116.60 2jna h LEU 63 Ca 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jna h LEU 63 Cb 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2jna h LEU 63 CO -0.17 0.75 -0.03 0.00 0.09 0.00 0.00 178.44 179.08 2jna h ALA 64 N 1.25 -0.08 0.00 1.53 0.00 -0.76 -0.37 119.26 120.83 2jna h ALA 64 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2jna h ALA 64 Cb 1.29 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2jna h ALA 64 CO 0.10 -0.35 -0.22 0.22 0.00 0.00 0.00 179.25 178.99 2jna h ASP 65 N -0.47 0.00 -0.07 0.00 3.58 -1.12 0.18 116.42 118.51 2jna h ASP 65 Ca -0.01 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.25 2jna h ASP 65 Cb 0.42 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.48 2jna h ASP 65 CO 0.01 0.22 -0.69 0.00 -2.88 0.00 0.00 179.24 175.91 2jna h ALA 66 N 1.78 0.18 0.04 -0.78 0.00 -1.36 -3.30 119.26 115.82 2jna h ALA 66 Ca -0.00 -0.58 -0.24 0.00 0.00 0.00 0.00 54.91 54.09 2jna h ALA 66 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2jna h ALA 66 CO 0.03 0.50 -1.04 0.87 0.00 0.00 0.00 179.25 179.61 2jna h LYS 67 N 0.21 0.37 0.00 0.00 1.79 -0.76 -3.49 116.57 114.70 2jna h LYS 67 Ca -0.07 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 2jna h LYS 67 Cb 1.35 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 32.14 2jna h LYS 67 CO 0.14 1.15 0.00 0.41 -1.08 0.00 0.00 179.45 180.06 2jna n GLY 68 N 1.13 0.76 3.17 3.86 0.00 0.50 -5.09 105.19 109.51 2jna n GLY 68 Ca -0.07 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 2jna n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jna s GLY 69 N -1.44 0.33 -0.01 -0.02 0.00 -0.46 -4.58 107.32 101.14 2jna s GLY 69 Ca 0.00 -0.92 0.13 0.00 0.00 0.00 0.00 44.72 43.93 2jna s GLY 69 CO 0.00 -1.04 0.41 0.28 0.00 0.00 0.00 173.10 172.75 2jna n LYS 70 N -0.01 1.38 -3.92 2.90 4.76 -0.57 -4.28 118.16 118.41 2jna n LYS 70 Ca -0.13 -0.07 -0.10 0.00 -2.87 0.00 0.00 58.31 55.13 2jna n LYS 70 Cb 0.62 -1.23 -0.12 0.00 -1.84 0.00 0.00 35.03 32.45 2jna n LYS 70 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2jna s TYR 71 N -2.64 0.13 0.39 2.13 2.02 -0.53 -4.89 117.35 113.96 2jna s TYR 71 Ca -0.01 -0.26 0.08 0.00 -0.37 0.00 0.00 57.07 56.52 2jna s TYR 71 Cb 0.09 -0.10 -0.06 0.00 -0.40 0.00 0.00 41.96 41.49 2jna s TYR 71 CO 0.55 -0.12 0.07 1.52 -1.57 0.00 0.00 175.55 176.00 2jna s TYR 72 N -0.81 2.56 -0.19 2.71 -0.85 -1.26 -0.33 117.35 119.17 2jna s TYR 72 Ca -0.09 -0.56 -0.05 0.00 -0.52 0.00 0.00 57.07 55.86 2jna s TYR 72 Cb -0.06 -1.73 0.07 0.00 0.38 0.00 0.00 41.96 40.62 2jna s TYR 72 CO -0.00 0.37 0.10 -1.58 -1.52 0.00 0.00 175.55 172.91 2jna s HIS 73 N -2.60 0.21 -0.15 -3.49 2.46 0.11 -3.88 115.29 107.94 2jna s HIS 73 Ca 0.37 -0.41 -0.29 0.00 0.47 0.00 0.00 55.06 55.20 2jna s HIS 73 Cb 0.04 -0.73 -0.03 0.00 -0.13 0.00 0.00 32.58 31.74 2jna s HIS 73 CO 0.20 -0.57 1.45 0.42 -2.47 0.00 0.00 174.74 173.77 2jna s ILE 74 N 2.13 3.95 -0.04 0.89 1.01 -1.26 0.11 121.20 127.99 2jna s ILE 74 Ca 0.03 1.13 0.06 0.00 0.00 0.00 0.00 60.65 61.87 2jna s ILE 74 Cb -0.16 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.43 2jna s ILE 74 CO -0.14 -0.18 0.14 2.30 0.00 0.00 0.00 174.94 177.06 2jna n ILE 75 N 5.67 0.00 -3.29 2.92 -5.35 0.11 -4.94 119.36 114.48 2jna n ILE 75 Ca 0.16 -0.16 -0.08 0.00 -0.27 0.00 0.00 62.75 62.40 2jna n ILE 75 Cb 0.44 0.46 -0.05 0.00 -1.74 0.00 0.00 39.64 38.75 2jna n ILE 75 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jna s ALA 76 N -2.26 -1.33 -0.25 -1.28 0.00 -1.05 -4.99 121.76 110.59 2jna s ALA 76 Ca -0.01 0.33 -0.02 0.00 0.00 0.00 0.00 51.96 52.26 2jna s ALA 76 Cb 0.04 -2.12 0.03 0.00 0.00 0.00 0.00 23.12 21.07 2jna s ALA 76 CO 0.23 -1.75 -0.06 0.00 0.00 0.00 0.00 175.76 174.18 2jna s ALA 77 N 2.57 2.70 0.08 0.00 0.00 -1.26 0.74 121.76 126.58 2jna s ALA 77 Ca 0.10 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.59 2jna s ALA 77 Cb -0.12 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 2jna s ALA 77 CO -0.29 -0.82 -0.04 -0.98 0.00 0.00 0.00 175.76 173.63 2jna s ARG 78 N 1.32 0.73 -0.45 0.00 1.70 0.47 -4.99 118.95 117.73 2jna s ARG 78 Ca 0.00 -1.28 -0.11 0.00 -0.47 0.00 0.00 55.73 53.86 2jna s ARG 78 Cb -0.17 0.02 0.09 0.00 -0.57 0.00 0.00 34.95 34.32 2jna s ARG 78 CO -0.04 -0.08 0.32 -2.00 -1.08 0.00 0.00 175.30 172.42 2jna s GLU 79 N -3.89 2.70 -1.01 3.89 2.12 -1.26 -2.03 118.70 119.22 2jna s GLU 79 Ca 0.10 -1.49 -0.03 0.00 0.36 0.00 0.00 54.97 53.90 2jna s GLU 79 Cb 0.07 -3.92 0.20 0.00 0.26 0.00 0.00 34.13 30.74 2jna s GLU 79 CO -0.07 -1.03 2.23 1.58 -0.54 0.00 0.00 175.26 177.43 2jna n HIS 80 N 5.00 2.53 0.00 5.30 -0.00 0.51 -4.95 115.22 123.61 2jna n HIS 80 Ca -0.11 -2.52 0.00 0.00 0.46 0.00 0.00 57.72 55.56 2jna n HIS 80 Cb 0.43 -1.47 0.00 0.00 -0.12 0.00 0.00 29.99 28.83 2jna n HIS 80 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2jna n GLY 81 N 0.70 1.66 0.30 1.57 0.00 -1.26 -2.90 105.19 105.25 2jna n GLY 81 Ca 0.54 -0.56 0.02 0.00 0.00 0.00 0.00 46.02 46.03 2jna n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jna n PRO 82 N 11.60 1.36 -4.52 1.61 -0.04 -1.26 -4.73 135.00 139.02 2jna n PRO 82 Ca 0.00 -0.54 -0.33 0.00 -0.04 0.00 0.00 63.50 62.59 2jna n PRO 82 Cb 0.00 -1.14 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 2jna n PRO 82 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2jna s ASN 83 N -0.96 4.10 -0.39 3.54 0.01 -1.14 -0.68 114.94 119.41 2jna s ASN 83 Ca 0.10 -0.34 -0.16 0.00 -0.71 0.00 0.00 52.86 51.75 2jna s ASN 83 Cb 0.05 -1.65 0.01 0.00 0.41 0.00 0.00 41.25 40.07 2jna s ASN 83 CO 0.07 0.12 0.38 0.12 -1.51 0.00 0.00 177.10 176.27 2jna s PHE 84 N 0.65 3.20 -0.20 2.20 5.36 -0.52 -0.36 117.98 128.30 2jna s PHE 84 Ca -0.06 -0.30 -0.01 0.00 -0.96 0.00 0.00 56.93 55.59 2jna s PHE 84 Cb -0.15 -2.75 0.01 0.00 -0.34 0.00 0.00 43.02 39.79 2jna s PHE 84 CO 0.03 -0.58 -0.12 -1.21 -1.46 0.00 0.00 175.22 171.87 2jna s GLU 85 N 1.99 3.16 -0.13 10.12 2.02 -0.86 -3.00 118.70 132.01 2jna s GLU 85 Ca 0.10 -0.74 -0.01 0.00 0.02 0.00 0.00 54.97 54.35 2jna s GLU 85 Cb -0.17 -2.79 0.03 0.00 0.10 0.00 0.00 34.13 31.30 2jna s GLU 85 CO 0.12 -0.21 -0.06 0.00 0.02 0.00 0.00 175.26 175.13 2jna s ALA 86 N 1.38 1.31 -0.18 5.21 0.00 -0.87 -0.40 121.76 128.21 2jna s ALA 86 Ca 0.05 -0.60 -0.15 0.00 0.00 0.00 0.00 51.96 51.27 2jna s ALA 86 Cb -0.14 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 2jna s ALA 86 CO -0.08 -0.55 0.34 0.08 0.00 0.00 0.00 175.76 175.55 2jna s VAL 87 N 1.72 5.25 0.02 0.00 1.01 0.23 0.61 120.40 129.23 2jna s VAL 87 Ca 0.04 0.63 0.02 0.00 0.00 0.00 0.00 61.98 62.66 2jna s VAL 87 Cb -0.13 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 2jna s VAL 87 CO -0.08 0.32 -0.06 0.00 0.00 0.00 0.00 175.10 175.29 2jna s ALA 88 N 0.87 0.43 0.17 5.51 0.00 0.86 -0.71 121.76 128.89 2jna s ALA 88 Ca 0.18 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.58 2jna s ALA 88 Cb -0.14 -0.02 -0.07 0.00 0.00 0.00 0.00 23.12 22.89 2jna s ALA 88 CO 0.06 0.03 0.51 -1.21 0.00 0.00 0.00 175.76 175.15 2jna s GLU 89 N -0.79 3.85 -0.23 0.00 2.02 0.12 -0.50 118.70 123.15 2jna s GLU 89 Ca -0.04 0.31 -0.07 0.00 0.02 0.00 0.00 54.97 55.19 2jna s GLU 89 Cb -0.06 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 2jna s GLU 89 CO -0.00 0.43 0.05 0.08 0.02 0.00 0.00 175.26 175.84 2jna s VAL 90 N -1.60 4.27 -0.03 2.63 1.01 0.96 0.04 120.40 127.68 2jna s VAL 90 Ca 0.41 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.27 2jna s VAL 90 Cb -0.13 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 2jna s VAL 90 CO 0.20 0.37 -0.24 -0.31 0.00 0.00 0.00 175.10 175.12 2jna s TYR 91 N 1.36 2.20 0.00 5.22 1.51 0.55 0.57 117.35 128.75 2jna s TYR 91 Ca 0.05 -0.46 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 2jna s TYR 91 Cb -0.15 -1.42 0.00 0.00 -0.11 0.00 0.00 41.96 40.28 2jna s TYR 91 CO 0.03 -0.07 0.00 -1.71 -1.11 0.00 0.00 175.55 172.69 2jna n ASN 92 N 2.58 0.00 0.00 2.29 2.85 -0.91 -1.45 115.26 120.61 2jna n ASN 92 Ca -0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 2jna n ASN 92 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 2jna n ASN 92 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2jna n ASP 93 N -0.03 0.00 0.00 1.20 2.03 -1.26 -1.83 116.55 116.66 2jna n ASP 93 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2jna n ASP 93 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2jna n ASP 93 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jna n ALA 94 N 0.00 0.00 -0.11 -1.67 0.00 -1.26 -4.75 120.51 112.71 2jna n ALA 94 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2jna n ALA 94 Cb 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 2jna n ALA 94 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2jna h THR 95 N 0.00 1.26 -0.00 0.00 2.02 -1.99 -2.70 112.91 111.50 2jna h THR 95 Ca 0.00 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.23 2jna h THR 95 Cb 0.05 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2jna h THR 95 CO 0.00 0.31 -0.12 2.29 0.37 0.00 0.00 175.52 178.37 2jna n LYS 96 N -4.54 0.46 -3.14 6.66 2.85 -1.26 -4.87 118.16 114.32 2jna n LYS 96 Ca -0.02 -0.13 -0.21 0.00 -1.05 0.00 0.00 58.31 56.90 2jna n LYS 96 Cb 0.26 -1.50 0.06 0.00 -0.65 0.00 0.00 35.03 33.21 2jna n LYS 96 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2jna s LEU 97 N -2.63 2.98 -1.23 -5.58 1.43 -1.02 -4.97 118.68 107.66 2jna s LEU 97 Ca 0.24 -0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 52.26 2jna s LEU 97 Cb 0.20 -1.46 -0.06 0.00 0.03 0.00 0.00 46.19 44.91 2jna s LEU 97 CO 0.51 -1.39 2.31 -0.62 0.23 0.00 0.00 176.35 177.39 2jna n GLU 98 N -2.24 2.59 -2.80 1.70 1.02 -1.26 -4.85 120.64 114.81 2jna n GLU 98 Ca 0.14 -2.11 -0.43 0.00 -0.02 0.00 0.00 57.16 54.75 2jna n GLU 98 Cb 0.62 -2.92 -0.02 0.00 -0.02 0.00 0.00 31.44 29.10 2jna n GLU 98 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2jna s HIS 99 N 3.41 2.99 -0.45 -0.32 -3.43 -1.26 -4.78 115.29 111.45 2jna s HIS 99 Ca 0.53 -1.38 0.03 0.00 -0.80 0.00 0.00 55.06 53.45 2jna s HIS 99 Cb 0.14 -4.44 0.26 0.00 -1.43 0.00 0.00 32.58 27.11 2jna s HIS 99 CO -0.02 -1.63 1.12 -2.39 -2.00 0.00 0.00 174.74 169.83 2jna n HIS 100 N 7.21 0.90 -3.65 0.38 1.44 -1.26 -4.73 115.22 115.50 2jna n HIS 100 Ca 0.31 -0.60 -0.38 0.00 -2.01 0.00 0.00 57.72 55.03 2jna n HIS 100 Cb 0.48 -0.37 -0.12 0.00 0.12 0.00 0.00 29.99 30.11 2jna n HIS 100 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2jna s HIS 101 N -1.39 3.17 0.35 -1.40 3.76 -1.26 -5.09 115.29 113.43 2jna s HIS 101 Ca 0.19 -0.25 -0.18 0.00 -0.15 0.00 0.00 55.06 54.68 2jna s HIS 101 Cb 0.16 -2.34 -0.10 0.00 1.11 0.00 0.00 32.58 31.41 2jna s HIS 101 CO 0.05 -0.31 0.82 -3.38 -0.85 0.00 0.00 174.74 171.07 2jna s HIS 102 N 1.68 3.39 0.46 1.40 -3.43 -1.26 -4.98 115.29 112.55 2jna s HIS 102 Ca 0.06 1.40 -0.03 0.00 -0.80 0.00 0.00 55.06 55.68 2jna s HIS 102 Cb -0.16 -2.67 -0.02 0.00 -1.43 0.00 0.00 32.58 28.29 2jna s HIS 102 CO 0.07 0.05 0.73 -3.38 -2.00 0.00 0.00 174.74 170.22 2jna s HIS 103 N -2.00 3.46 -2.00 0.38 -3.43 -1.26 -4.90 115.29 105.54 2jna s HIS 103 Ca 0.56 0.61 0.29 0.00 -0.80 0.00 0.00 55.06 55.71 2jna s HIS 103 Cb -0.11 -2.28 1.70 0.00 -1.43 0.00 0.00 32.58 30.47 2jna s HIS 103 CO 0.16 -0.28 2.04 1.58 -2.00 0.00 0.00 174.74 176.25