#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jna n LYS 2 N 0.00 0.00 -3.78 2.12 4.81 -1.26 -5.15 118.16 114.90 2jna n LYS 2 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 2jna n LYS 2 Cb 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 34.93 2jna n LYS 2 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2jna s LYS 3 N 0.45 0.30 -0.19 1.64 1.02 -1.26 -5.14 119.74 116.56 2jna s LYS 3 Ca 0.00 0.39 -0.01 0.00 0.02 0.00 0.00 55.97 56.37 2jna s LYS 3 Cb 0.00 0.12 0.05 0.00 -0.52 0.00 0.00 37.83 37.48 2jna s LYS 3 CO 0.00 -0.05 -0.02 -0.98 -0.92 0.00 0.00 175.35 173.38 2jna s ARG 4 N 0.27 1.14 -0.18 1.68 1.70 -1.26 -5.11 118.95 117.19 2jna s ARG 4 Ca -0.01 -0.56 -0.02 0.00 -0.47 0.00 0.00 55.73 54.67 2jna s ARG 4 Cb -0.03 -2.13 -0.01 0.00 -0.57 0.00 0.00 34.95 32.22 2jna s ARG 4 CO -0.01 -0.54 -0.09 0.96 -1.08 0.00 0.00 175.30 174.54 2jna s ILE 5 N 1.68 3.13 -0.18 4.99 -4.36 -1.26 -5.10 121.20 120.10 2jna s ILE 5 Ca -0.01 -0.59 -0.11 0.00 -0.26 0.00 0.00 60.65 59.67 2jna s ILE 5 Cb -0.17 -2.38 -0.05 0.00 1.25 0.00 0.00 42.46 41.12 2jna s ILE 5 CO -0.07 0.47 0.20 0.27 0.24 0.00 0.00 174.94 176.05 2jna s ILE 6 N 1.04 5.37 -0.40 8.37 -5.25 -1.26 -5.02 121.20 124.05 2jna s ILE 6 Ca -0.00 0.34 0.06 0.00 -0.99 0.00 0.00 60.65 60.06 2jna s ILE 6 Cb -0.15 -3.53 0.18 0.00 2.95 0.00 0.00 42.46 41.91 2jna s ILE 6 CO -0.01 0.43 0.67 0.00 -1.79 0.00 0.00 174.94 174.24 2jna s ALA 7 N 0.34 -2.61 0.00 2.27 0.00 -1.26 -5.15 121.76 115.35 2jna s ALA 7 Ca 0.12 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2jna s ALA 7 Cb -0.12 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.24 2jna s ALA 7 CO 0.01 -2.23 0.00 0.00 0.00 0.00 0.00 175.76 173.53 2jna n ALA 8 N 4.38 0.00 -2.18 0.00 0.00 -1.26 -5.07 120.51 116.38 2jna n ALA 8 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 2jna n ALA 8 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2jna n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jna n ALA 9 N -3.00 -2.65 -2.30 0.00 0.00 -1.26 -5.09 120.51 106.20 2jna n ALA 9 Ca 0.00 0.37 -0.08 0.00 0.00 0.00 0.00 53.44 53.73 2jna n ALA 9 Cb 0.00 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 17.92 2jna n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jna s LEU 10 N -2.19 1.95 0.14 0.00 1.43 -1.26 -5.18 118.68 113.58 2jna s LEU 10 Ca 0.08 -0.88 -0.24 0.00 -1.03 0.00 0.00 54.13 52.06 2jna s LEU 10 Cb -0.02 0.57 0.07 0.00 0.03 0.00 0.00 46.19 46.84 2jna s LEU 10 CO 0.37 -0.67 0.61 -1.48 0.23 0.00 0.00 176.35 175.41 2jna s LEU 11 N -2.91 -0.57 0.28 1.79 0.05 -1.26 -5.10 118.68 110.96 2jna s LEU 11 Ca 0.08 0.06 0.00 0.00 0.05 0.00 0.00 54.13 54.33 2jna s LEU 11 Cb 0.07 2.58 0.00 0.00 -2.05 0.00 0.00 46.19 46.79 2jna s LEU 11 CO -0.09 -0.93 0.00 0.00 -0.55 0.00 0.00 176.35 174.78 2jna n ALA 12 N -0.26 2.92 -3.67 1.48 0.00 -1.26 -5.11 120.51 114.62 2jna n ALA 12 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 2jna n ALA 12 Cb 0.64 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.99 2jna n ALA 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jna s THR 13 N -1.92 -0.48 0.41 0.00 2.01 -1.26 -5.15 115.64 109.24 2jna s THR 13 Ca 0.00 0.17 -0.14 0.00 0.31 0.00 0.00 61.69 62.03 2jna s THR 13 Cb 0.00 -0.61 -0.08 0.00 0.01 0.00 0.00 72.50 71.82 2jna s THR 13 CO 0.00 0.07 0.83 0.68 -0.69 0.00 0.00 174.62 175.51 2jna s VAL 14 N 2.33 4.65 0.00 3.82 -7.23 -1.26 -5.08 120.40 117.63 2jna s VAL 14 Ca -0.03 0.94 0.00 0.00 -1.81 0.00 0.00 61.98 61.09 2jna s VAL 14 Cb -0.11 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.15 2jna s VAL 14 CO -0.12 -0.44 0.00 0.00 -0.31 0.00 0.00 175.10 174.23 2jna n ALA 15 N -1.02 0.00 -4.12 1.32 0.00 -1.26 -5.18 120.51 110.26 2jna n ALA 15 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 2jna n ALA 15 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 2jna n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jna n SER 16 N -0.39 2.24 -4.78 0.00 2.88 -1.26 -5.14 113.62 107.17 2jna n SER 16 Ca 0.00 -1.51 -0.30 0.00 -1.33 0.00 0.00 58.87 55.73 2jna n SER 16 Cb 0.00 0.07 0.09 0.00 -0.75 0.00 0.00 64.21 63.62 2jna n SER 16 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2jna s PHE 17 N -1.35 2.73 0.20 0.66 0.40 -1.26 -4.98 117.98 114.38 2jna s PHE 17 Ca 0.01 1.35 0.00 0.00 -0.60 0.00 0.00 56.93 57.69 2jna s PHE 17 Cb -0.00 -3.05 0.00 0.00 0.51 0.00 0.00 43.02 40.48 2jna s PHE 17 CO 0.00 -1.77 0.00 0.43 0.70 0.00 0.00 175.22 174.58 2jna n SER 18 N -3.48 -0.96 -3.62 1.36 7.64 -1.26 -5.13 113.62 108.17 2jna n SER 18 Ca 0.08 0.36 -0.13 0.00 1.01 0.00 0.00 58.87 60.19 2jna n SER 18 Cb 0.54 1.06 -0.07 0.00 -1.01 0.00 0.00 64.21 64.73 2jna n SER 18 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2jna s THR 19 N -2.00 0.00 -0.59 0.44 2.01 -1.26 -5.09 115.64 109.15 2jna s THR 19 Ca 0.00 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.74 2jna s THR 19 Cb 0.00 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.44 2jna s THR 19 CO 0.00 0.00 2.26 -0.22 -0.69 0.00 0.00 174.62 175.97 2jna s LEU 20 N 0.13 3.29 0.00 4.42 2.96 -1.26 -4.82 118.68 123.41 2jna s LEU 20 Ca -0.00 0.66 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 2jna s LEU 20 Cb -0.04 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 44.13 2jna s LEU 20 CO -0.00 -2.90 0.00 0.00 -1.32 0.00 0.00 176.35 172.13 2jna n ALA 21 N 15.49 0.00 -1.40 5.97 0.00 -1.26 -5.11 120.51 134.20 2jna n ALA 21 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2jna n ALA 21 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2jna n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jna n ALA 22 N -3.00 -2.68 -2.43 0.00 0.00 -1.26 -5.12 120.51 106.02 2jna n ALA 22 Ca 0.00 0.16 -0.23 0.00 0.00 0.00 0.00 53.44 53.37 2jna n ALA 22 Cb 0.00 -0.52 -0.08 0.00 0.00 0.00 0.00 19.45 18.85 2jna n ALA 22 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2jna s GLU 23 N -1.62 1.88 0.00 0.00 2.56 -1.26 -5.12 118.70 115.13 2jna s GLU 23 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 54.97 52.84 2jna s GLU 23 Cb 0.00 -0.26 0.00 0.00 2.00 0.00 0.00 34.13 35.87 2jna s GLU 23 CO 0.00 -0.55 0.00 0.94 -0.56 0.00 0.00 175.26 175.09 2jna n GLN 24 N -0.81 0.00 -4.19 4.30 0.00 -1.26 -5.05 117.38 110.36 2jna n GLN 24 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.00 56.73 2jna n GLN 24 Cb 0.64 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.81 2jna n GLN 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 2jna s VAL 25 N -0.67 3.85 0.43 1.69 -7.23 -1.26 -5.06 120.40 112.16 2jna s VAL 25 Ca 0.00 -1.43 0.05 0.00 -1.81 0.00 0.00 61.98 58.79 2jna s VAL 25 Cb 0.00 -2.97 0.08 0.00 0.56 0.00 0.00 36.38 34.05 2jna s VAL 25 CO 0.00 -0.16 0.60 -0.24 -0.31 0.00 0.00 175.10 174.99 2jna n SER 26 N -0.33 1.37 0.23 4.85 2.88 -1.26 -4.77 113.62 116.60 2jna n SER 26 Ca -0.09 -2.02 0.08 0.00 -1.33 0.00 0.00 58.87 55.50 2jna n SER 26 Cb 0.56 -0.34 0.56 0.00 -0.75 0.00 0.00 64.21 64.24 2jna n SER 26 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2jna h LYS 27 N 0.00 0.00 -0.08 -1.46 3.11 -2.00 -2.65 116.57 113.49 2jna h LYS 27 Ca -0.20 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.65 2jna h LYS 27 Cb 0.88 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.10 2jna h LYS 27 CO 0.27 0.20 0.02 1.96 -2.81 0.00 0.00 179.45 179.09 2jna h GLN 28 N 0.00 0.06 0.00 1.90 7.50 -2.00 -2.91 115.11 119.67 2jna h GLN 28 Ca -0.00 -0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.05 2jna h GLN 28 Cb 0.41 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.91 2jna h GLN 28 CO 0.03 0.04 -0.43 0.93 -1.50 0.00 0.00 178.83 177.90 2jna h GLU 29 N 0.06 0.00 0.14 1.46 4.39 -1.86 -0.27 114.58 118.50 2jna h GLU 29 Ca 0.03 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.74 2jna h GLU 29 Cb 0.02 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 2jna h GLU 29 CO -0.04 0.43 -0.17 0.82 -1.16 0.00 0.00 179.01 178.89 2jna h ILE 30 N 0.00 0.62 0.00 3.13 2.04 -1.38 0.10 117.51 122.03 2jna h ILE 30 Ca -0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 2jna h ILE 30 Cb 1.09 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 2jna h ILE 30 CO 0.06 0.00 -0.28 0.28 0.00 0.00 0.00 178.15 178.21 2jna h SER 31 N -0.35 0.00 0.14 1.72 0.02 -1.42 -1.42 113.55 112.24 2jna h SER 31 Ca 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2jna h SER 31 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2jna h SER 31 CO -0.06 0.28 -0.06 -0.74 -1.14 0.00 0.00 176.83 175.10 2jna h HIS 32 N 0.00 -0.17 -0.21 3.45 6.17 -0.41 -3.27 115.15 120.71 2jna h HIS 32 Ca -0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.07 2jna h HIS 32 Cb 0.91 0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.89 2jna h HIS 32 CO 0.00 0.26 0.00 1.19 0.71 0.00 0.00 177.93 180.09 2jna n PHE 33 N -4.96 0.26 -3.43 5.26 3.72 0.30 -4.97 117.46 113.64 2jna n PHE 33 Ca -0.09 -0.13 -0.21 0.00 -0.05 0.00 0.00 57.45 56.97 2jna n PHE 33 Cb 0.26 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.86 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 1.17 -2.20 -1.89 -1.08 4.76 -0.63 -4.84 118.16 113.45 2jna n LYS 34 Ca 0.17 0.71 -0.41 0.00 -2.87 0.00 0.00 58.31 55.91 2jna n LYS 34 Cb 0.54 -5.21 -0.01 0.00 -1.84 0.00 0.00 35.03 28.51 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 -5.87 4.36 0.26 -0.35 1.43 -0.63 -4.87 118.68 113.00 2jna s LEU 35 Ca 0.42 2.90 -0.02 0.00 -1.03 0.00 0.00 54.13 56.40 2jna s LEU 35 Cb -0.09 -3.65 0.33 0.00 0.03 0.00 0.00 46.19 42.80 2jna s LEU 35 CO 0.79 -0.79 1.76 0.58 0.23 0.00 0.00 176.35 178.91 2jna h VAL 36 N 3.17 1.24 -3.65 -1.59 2.07 -1.88 -3.49 116.25 112.13 2jna h VAL 36 Ca -0.49 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.04 2jna h VAL 36 Cb 1.23 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2jna h VAL 36 CO 0.70 0.35 -0.69 1.17 0.02 0.00 0.00 177.57 179.13 2jna n LYS 37 N -4.22 -3.83 0.11 1.57 4.81 -1.26 -4.96 118.16 110.38 2jna n LYS 37 Ca 0.03 2.89 -0.23 0.00 -0.87 0.00 0.00 58.31 60.12 2jna n LYS 37 Cb 0.29 -3.26 -0.15 0.00 0.02 0.00 0.00 35.03 31.93 2jna n LYS 37 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 2jna h VAL 38 N 3.04 1.13 0.00 3.15 -1.51 -1.78 -3.48 116.25 116.80 2jna h VAL 38 Ca 0.00 -2.64 0.00 0.00 -1.23 0.00 0.00 66.70 62.83 2jna h VAL 38 Cb 0.00 2.90 0.00 0.00 -2.13 0.00 0.00 31.29 32.06 2jna h VAL 38 CO 0.00 0.84 0.00 0.61 -1.23 0.00 0.00 177.57 177.79 2jna n GLY 39 N 1.77 -0.61 2.87 5.19 0.00 -1.21 -5.05 105.19 108.14 2jna n GLY 39 Ca -0.20 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.43 -0.05 0.44 2.61 2.01 -1.26 -1.40 115.64 114.55 2jna s THR 40 Ca 0.00 0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.22 2jna s THR 40 Cb 0.00 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 72.29 2jna s THR 40 CO 0.00 0.07 0.01 0.27 -0.69 0.00 0.00 174.62 174.29 2jna s ILE 41 N 1.02 1.59 0.01 1.82 -4.36 0.47 -4.96 121.20 116.80 2jna s ILE 41 Ca -0.08 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.16 2jna s ILE 41 Cb -0.11 -2.66 0.02 0.00 1.25 0.00 0.00 42.46 40.96 2jna s ILE 41 CO -0.04 0.00 0.33 0.54 0.24 0.00 0.00 174.94 176.00 2jna s ASN 42 N -3.75 -0.19 -0.16 4.36 2.20 -1.26 -0.74 114.94 115.40 2jna s ASN 42 Ca 0.24 -0.01 -0.15 0.00 -0.94 0.00 0.00 52.86 52.00 2jna s ASN 42 Cb 0.07 0.34 -0.04 0.00 -2.00 0.00 0.00 41.25 39.62 2jna s ASN 42 CO 0.12 -0.53 0.37 -0.69 -2.94 0.00 0.00 177.10 173.43 2jna s VAL 43 N -1.87 5.25 -0.31 3.54 1.01 0.23 -4.92 120.40 123.32 2jna s VAL 43 Ca -0.10 0.69 0.18 0.00 0.00 0.00 0.00 61.98 62.76 2jna s VAL 43 Cb -0.03 -3.70 0.47 0.00 0.00 0.00 0.00 36.38 33.11 2jna s VAL 43 CO 0.01 0.33 1.08 -0.24 0.00 0.00 0.00 175.10 176.29 2jna n SER 44 N 3.86 0.95 -4.86 3.32 2.88 -1.22 -0.62 113.62 117.93 2jna n SER 44 Ca -0.10 -2.43 -0.35 0.00 -1.33 0.00 0.00 58.87 54.67 2jna n SER 44 Cb 0.52 -0.28 -0.05 0.00 -0.75 0.00 0.00 64.21 63.64 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 -2.79 3.80 -1.25 -1.46 1.11 -1.21 -4.83 119.66 113.02 2jna s GLN 45 Ca 0.25 0.24 -0.18 0.00 0.01 0.00 0.00 55.36 55.68 2jna s GLN 45 Cb 0.41 -2.99 0.09 0.00 -1.01 0.00 0.00 33.01 29.51 2jna s GLN 45 CO -0.01 0.55 1.65 -1.12 0.01 0.00 0.00 175.29 176.36 2jna s SER 46 N -1.75 6.86 0.00 5.90 0.01 -1.26 -1.11 113.70 122.35 2jna s SER 46 Ca 0.34 -2.48 0.00 0.00 1.31 0.00 0.00 55.95 55.12 2jna s SER 46 Cb -0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2jna s SER 46 CO 0.18 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.33 2jna n GLY 47 N 5.26 1.38 0.33 3.44 0.00 -0.14 -4.27 105.19 111.19 2jna n GLY 47 Ca 0.45 0.26 0.21 0.00 0.00 0.00 0.00 46.02 46.94 2jna n GLY 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jna h GLY 48 N 0.00 0.00 2.00 -0.02 0.00 -1.87 0.38 103.07 103.55 2jna h GLY 48 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2jna h GLY 48 CO 0.00 0.00 -0.17 1.46 0.00 0.00 0.00 176.54 177.83 2jna h GLN 49 N 0.00 0.00 -3.19 4.80 1.08 -1.89 -3.38 115.11 112.52 2jna h GLN 49 Ca 0.00 0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 56.57 2jna h GLN 49 Cb 0.14 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 27.16 2jna h GLN 49 CO 0.00 0.17 -0.66 0.42 -0.95 0.00 0.00 178.83 177.81 2jna s ILE 50 N -3.16 2.22 -0.15 2.54 -1.09 0.12 -4.86 121.20 116.83 2jna s ILE 50 Ca 0.06 -3.22 0.12 0.00 -2.23 0.00 0.00 60.65 55.37 2jna s ILE 50 Cb 0.06 -2.53 -0.17 0.00 -1.58 0.00 0.00 42.46 38.24 2jna s ILE 50 CO 0.69 -0.87 0.04 -0.24 -1.23 0.00 0.00 174.94 173.32 2jna n SER 51 N 3.06 1.51 -4.31 3.58 2.88 -1.26 -4.89 113.62 114.19 2jna n SER 51 Ca 0.09 -0.01 -0.18 0.00 -1.33 0.00 0.00 58.87 57.44 2jna n SER 51 Cb 0.34 0.78 -0.10 0.00 -0.75 0.00 0.00 64.21 64.48 2jna n SER 51 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jna s SER 52 N -4.84 2.39 0.47 -3.46 0.01 -1.26 -5.03 113.70 101.98 2jna s SER 52 Ca -0.08 -0.96 0.18 0.00 1.31 0.00 0.00 55.95 56.40 2jna s SER 52 Cb 0.04 -0.11 1.17 0.00 0.21 0.00 0.00 66.02 67.33 2jna s SER 52 CO 0.58 -0.17 1.97 -0.65 0.41 0.00 0.00 173.24 175.39 2jna h PRO 53 N 2.85 0.26 -0.69 12.44 0.11 -2.02 -1.20 132.00 143.75 2jna h PRO 53 Ca -0.39 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.65 2jna h PRO 53 Cb 1.21 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2jna h PRO 53 CO 0.59 0.17 0.19 0.66 -0.21 0.00 0.00 178.00 179.40 2jna h SER 54 N 0.26 1.02 -0.55 -2.05 4.64 -2.02 -2.86 113.55 111.99 2jna h SER 54 Ca 0.29 -0.22 0.14 0.00 -0.47 0.00 0.00 61.79 61.53 2jna h SER 54 Cb 0.78 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 2jna h SER 54 CO -0.06 0.97 0.39 0.44 -0.87 0.00 0.00 176.83 177.70 2jna h ASP 55 N 1.02 0.09 0.33 4.97 3.32 -1.56 -1.06 116.42 123.53 2jna h ASP 55 Ca 0.22 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 2jna h ASP 55 Cb 0.33 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2jna h ASP 55 CO -0.00 0.05 -0.32 0.25 -1.72 0.00 0.00 179.24 177.50 2jna h LEU 56 N 0.10 -0.85 -0.69 1.55 5.85 -1.53 0.13 115.31 119.87 2jna h LEU 56 Ca 0.26 0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.92 2jna h LEU 56 Cb 0.91 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2jna h LEU 56 CO -0.03 -0.45 -0.65 0.08 -0.34 0.00 0.00 178.44 177.05 2jna h ARG 57 N -0.67 0.00 -0.15 1.25 0.11 -1.50 -2.10 114.38 111.32 2jna h ARG 57 Ca -0.02 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.06 2jna h ARG 57 Cb 0.61 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.68 2jna h ARG 57 CO -0.05 0.65 0.08 0.93 0.10 0.00 0.00 179.97 181.67 2jna h GLU 58 N 0.00 0.21 -0.14 0.08 4.39 -0.87 0.73 114.58 118.99 2jna h GLU 58 Ca -0.01 -0.03 -0.20 0.00 0.34 0.00 0.00 59.36 59.46 2jna h GLU 58 Cb 1.16 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2jna h GLU 58 CO 0.08 0.24 -0.73 0.87 -1.16 0.00 0.00 179.01 178.32 2jna h LYS 59 N 0.13 0.65 -0.13 2.33 6.56 -0.75 -2.75 116.57 122.60 2jna h LYS 59 Ca 0.05 -0.51 -0.17 0.00 -1.06 0.00 0.00 60.65 58.96 2jna h LYS 59 Cb 0.10 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.85 2jna h LYS 59 CO -0.01 1.13 -0.62 -0.07 -2.06 0.00 0.00 179.45 177.82 2jna h LEU 60 N 0.45 0.54 -0.61 2.94 3.38 -1.31 -2.66 115.31 118.04 2jna h LEU 60 Ca -0.04 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 2jna h LEU 60 Cb 1.33 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 2jna h LEU 60 CO 0.14 1.03 0.28 0.28 0.09 0.00 0.00 178.44 180.26 2jna h SER 61 N 0.35 0.81 -0.99 -0.43 0.02 -0.88 0.11 113.55 112.55 2jna h SER 61 Ca -0.01 -0.14 0.09 0.00 -0.84 0.00 0.00 61.79 60.89 2jna h SER 61 Cb 1.17 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.43 2jna h SER 61 CO 0.11 0.73 0.63 -0.08 -1.14 0.00 0.00 176.83 177.08 2jna h GLU 62 N 0.84 1.04 0.02 3.45 4.57 -1.25 0.21 114.58 123.47 2jna h GLU 62 Ca 0.21 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2jna h GLU 62 Cb 0.14 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 2jna h GLU 62 CO -0.02 0.69 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.41 2jna h LEU 63 N 1.07 -0.03 -1.06 1.64 3.38 -1.21 -3.36 115.31 115.74 2jna h LEU 63 Ca 0.45 -0.71 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 2jna h LEU 63 Cb 0.32 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2jna h LEU 63 CO -0.20 0.75 -0.35 0.00 0.09 0.00 0.00 178.44 178.72 2jna h ALA 64 N 0.01 1.21 -0.14 1.53 0.00 -0.40 -2.74 119.26 118.72 2jna h ALA 64 Ca -0.00 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.57 2jna h ALA 64 Cb 0.74 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2jna h ALA 64 CO 0.01 0.53 0.01 0.22 0.00 0.00 0.00 179.25 180.02 2jna h ASP 65 N 0.19 -0.03 0.77 0.00 3.58 -0.76 -1.29 116.42 118.88 2jna h ASP 65 Ca 0.02 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.44 2jna h ASP 65 Cb 0.71 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 2jna h ASP 65 CO 0.05 0.01 -0.28 0.00 -2.88 0.00 0.00 179.24 176.14 2jna h ALA 66 N 1.12 1.07 0.00 -0.78 0.00 -1.66 -2.13 119.26 116.87 2jna h ALA 66 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2jna h ALA 66 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jna h ALA 66 CO -0.10 0.34 0.00 0.87 0.00 0.00 0.00 179.25 180.36 2jna h LYS 67 N 0.00 0.00 -0.65 0.00 1.79 -1.11 -3.47 116.57 113.12 2jna h LYS 67 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jna h LYS 67 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 2jna h LYS 67 CO 0.04 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.82 2jna n GLY 68 N 0.66 0.93 3.84 3.86 0.00 -0.57 -5.08 105.19 108.84 2jna n GLY 68 Ca 0.03 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.77 1.51 -0.27 -0.02 0.00 -0.71 -4.97 107.32 100.09 2jna s GLY 69 Ca 0.00 -1.48 -0.13 0.00 0.00 0.00 0.00 44.72 43.11 2jna s GLY 69 CO 0.00 -1.48 -0.27 0.28 0.00 0.00 0.00 173.10 171.63 2jna n LYS 70 N -1.26 0.60 -4.03 2.90 4.76 -1.20 -4.70 118.16 115.23 2jna n LYS 70 Ca -0.06 0.28 -0.10 0.00 -2.87 0.00 0.00 58.31 55.56 2jna n LYS 70 Cb 0.58 -1.53 -0.07 0.00 -1.84 0.00 0.00 35.03 32.18 2jna n LYS 70 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 2jna s TYR 71 N -2.50 0.55 0.16 2.13 -0.85 -1.18 -4.91 117.35 110.76 2jna s TYR 71 Ca -0.37 -0.88 -0.03 0.00 -0.52 0.00 0.00 57.07 55.26 2jna s TYR 71 Cb 0.13 -0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.37 2jna s TYR 71 CO 0.52 -0.82 0.15 1.52 -1.52 0.00 0.00 175.55 175.40 2jna s TYR 72 N -4.03 0.83 -0.19 -3.49 -0.85 -1.26 -1.04 117.35 107.32 2jna s TYR 72 Ca 0.24 -1.16 -0.04 0.00 -0.52 0.00 0.00 57.07 55.59 2jna s TYR 72 Cb 0.02 -0.38 0.06 0.00 0.38 0.00 0.00 41.96 42.04 2jna s TYR 72 CO 0.06 -0.62 0.07 -1.58 -1.52 0.00 0.00 175.55 171.96 2jna s HIS 73 N -4.06 0.55 0.12 -3.49 2.46 0.08 -4.56 115.29 106.39 2jna s HIS 73 Ca 0.27 -0.58 -0.31 0.00 0.47 0.00 0.00 55.06 54.91 2jna s HIS 73 Cb 0.06 -0.85 -0.08 0.00 -0.13 0.00 0.00 32.58 31.58 2jna s HIS 73 CO 0.05 -0.57 1.36 0.42 -2.47 0.00 0.00 174.74 173.53 2jna s ILE 74 N 2.02 3.37 -0.07 0.89 1.01 -1.26 -1.97 121.20 125.19 2jna s ILE 74 Ca 0.01 0.99 0.10 0.00 0.00 0.00 0.00 60.65 61.76 2jna s ILE 74 Cb -0.16 -3.64 -0.15 0.00 0.01 0.00 0.00 42.46 38.52 2jna s ILE 74 CO -0.10 0.08 0.12 2.30 0.00 0.00 0.00 174.94 177.35 2jna n ILE 75 N 3.85 0.43 -3.70 2.92 -5.35 0.03 -4.97 119.36 112.57 2jna n ILE 75 Ca 0.11 -0.37 -0.11 0.00 -0.27 0.00 0.00 62.75 62.11 2jna n ILE 75 Cb 0.43 -0.32 -0.11 0.00 -1.74 0.00 0.00 39.64 37.89 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 -2.48 -0.90 -0.06 -1.28 0.00 -1.21 -5.02 121.76 110.81 2jna s ALA 76 Ca -0.05 1.36 -0.05 0.00 0.00 0.00 0.00 51.96 53.23 2jna s ALA 76 Cb 0.05 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.33 2jna s ALA 76 CO 0.45 -0.27 0.16 0.00 0.00 0.00 0.00 175.76 176.09 2jna s ALA 77 N 1.43 -0.37 -0.02 0.00 0.00 -1.26 0.47 121.76 122.01 2jna s ALA 77 Ca -0.09 0.50 -0.29 0.00 0.00 0.00 0.00 51.96 52.08 2jna s ALA 77 Cb -0.09 -0.30 0.10 0.00 0.00 0.00 0.00 23.12 22.83 2jna s ALA 77 CO -0.11 -0.09 0.87 -0.98 0.00 0.00 0.00 175.76 175.45 2jna s ARG 78 N 0.29 0.83 -0.22 0.00 3.03 0.35 -4.99 118.95 118.23 2jna s ARG 78 Ca -0.02 -0.21 -0.19 0.00 2.03 0.00 0.00 55.73 57.35 2jna s ARG 78 Cb -0.03 0.38 -0.03 0.00 -1.03 0.00 0.00 34.95 34.25 2jna s ARG 78 CO -0.01 -0.34 0.54 -1.21 -1.13 0.00 0.00 175.30 173.14 2jna s GLU 79 N -2.72 4.15 -0.45 3.89 2.02 -1.26 0.06 118.70 124.38 2jna s GLU 79 Ca 0.03 0.42 -0.00 0.00 0.02 0.00 0.00 54.97 55.43 2jna s GLU 79 Cb -0.01 -3.59 0.12 0.00 0.10 0.00 0.00 34.13 30.75 2jna s GLU 79 CO -0.06 -0.23 0.23 -1.58 0.02 0.00 0.00 175.26 173.63 2jna s HIS 80 N 1.91 3.54 0.00 1.61 2.46 0.48 -4.95 115.29 120.34 2jna s HIS 80 Ca 0.24 -2.71 0.00 0.00 0.47 0.00 0.00 55.06 53.06 2jna s HIS 80 Cb -0.15 -3.11 0.00 0.00 -0.13 0.00 0.00 32.58 29.19 2jna s HIS 80 CO 0.09 -0.91 0.00 0.41 -2.47 0.00 0.00 174.74 171.86 2jna n GLY 81 N 4.10 2.07 1.28 1.59 0.00 -1.26 -2.49 105.19 110.47 2jna n GLY 81 Ca 0.02 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.71 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 12.62 3.10 -4.27 1.61 -0.04 -1.26 -4.94 135.00 141.81 2jna n PRO 82 Ca 0.00 -2.17 -0.29 0.00 -0.04 0.00 0.00 63.50 60.99 2jna n PRO 82 Cb 0.00 -1.75 -0.11 0.00 -0.04 0.00 0.00 33.50 31.60 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 -0.79 4.11 -0.36 3.54 0.01 -1.04 -0.97 114.94 119.45 2jna s ASN 83 Ca 0.39 -0.51 -0.07 0.00 -0.71 0.00 0.00 52.86 51.97 2jna s ASN 83 Cb 0.25 -0.67 0.05 0.00 0.41 0.00 0.00 41.25 41.30 2jna s ASN 83 CO 0.19 0.17 0.14 0.12 -1.51 0.00 0.00 177.10 176.20 2jna s PHE 84 N -1.26 3.30 -0.38 2.20 5.36 -0.27 -0.39 117.98 126.55 2jna s PHE 84 Ca 0.20 -1.54 -0.14 0.00 -0.96 0.00 0.00 56.93 54.50 2jna s PHE 84 Cb -0.10 -2.48 0.01 0.00 -0.34 0.00 0.00 43.02 40.10 2jna s PHE 84 CO 0.12 -0.77 0.26 -1.21 -1.46 0.00 0.00 175.22 172.16 2jna s GLU 85 N 1.38 3.18 -0.14 10.12 0.41 0.11 -3.33 118.70 130.43 2jna s GLU 85 Ca -0.00 -0.87 -0.01 0.00 -0.41 0.00 0.00 54.97 53.68 2jna s GLU 85 Cb -0.20 -3.87 0.04 0.00 -1.78 0.00 0.00 34.13 28.31 2jna s GLU 85 CO 0.02 -0.61 -0.04 0.00 -0.49 0.00 0.00 175.26 174.14 2jna s ALA 86 N 1.68 1.29 -0.24 5.21 0.00 0.21 -0.50 121.76 129.42 2jna s ALA 86 Ca 0.05 -0.65 -0.14 0.00 0.00 0.00 0.00 51.96 51.22 2jna s ALA 86 Cb -0.18 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 2jna s ALA 86 CO 0.10 -0.69 0.32 0.08 0.00 0.00 0.00 175.76 175.57 2jna s VAL 87 N 1.72 5.24 -0.04 0.00 1.01 0.18 0.75 120.40 129.25 2jna s VAL 87 Ca 0.02 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.51 2jna s VAL 87 Cb -0.14 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.61 2jna s VAL 87 CO -0.08 0.25 -0.03 0.00 0.00 0.00 0.00 175.10 175.24 2jna s ALA 88 N 1.49 0.58 -0.02 5.51 0.00 0.08 -0.79 121.76 128.61 2jna s ALA 88 Ca 0.14 -0.00 -0.16 0.00 0.00 0.00 0.00 51.96 51.94 2jna s ALA 88 Cb -0.15 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 2jna s ALA 88 CO 0.08 -0.06 0.45 -1.21 0.00 0.00 0.00 175.76 175.02 2jna s GLU 89 N 1.01 4.09 -0.16 0.00 2.02 -0.83 -0.39 118.70 124.43 2jna s GLU 89 Ca -0.10 0.47 -0.09 0.00 0.02 0.00 0.00 54.97 55.27 2jna s GLU 89 Cb -0.14 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.76 2jna s GLU 89 CO -0.01 0.53 0.14 0.08 0.02 0.00 0.00 175.26 176.02 2jna s VAL 90 N -0.58 5.45 0.10 2.63 1.01 -0.50 -0.74 120.40 127.77 2jna s VAL 90 Ca 0.25 0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.52 2jna s VAL 90 Cb -0.17 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 2jna s VAL 90 CO 0.13 0.52 -0.21 -0.31 0.00 0.00 0.00 175.10 175.23 2jna s TYR 91 N -0.26 1.83 0.12 5.22 2.02 -0.20 -2.19 117.35 123.89 2jna s TYR 91 Ca 0.11 -0.41 0.09 0.00 -0.37 0.00 0.00 57.07 56.49 2jna s TYR 91 Cb -0.12 -1.01 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 2jna s TYR 91 CO 0.01 0.20 -0.22 -0.80 -1.57 0.00 0.00 175.55 173.17 2jna s ASN 92 N -1.82 2.80 0.71 2.29 0.01 -1.26 -3.12 114.94 114.54 2jna s ASN 92 Ca 0.07 -0.73 -0.16 0.00 -0.71 0.00 0.00 52.86 51.33 2jna s ASN 92 Cb -0.10 -0.17 0.03 0.00 0.41 0.00 0.00 41.25 41.42 2jna s ASN 92 CO 0.04 0.08 1.25 -1.81 -1.51 0.00 0.00 177.10 175.15 2jna s ASP 93 N -2.08 4.23 -1.03 -1.22 1.01 -1.26 -3.85 116.67 112.48 2jna s ASP 93 Ca 0.10 2.48 -0.24 0.00 0.71 0.00 0.00 52.55 55.61 2jna s ASP 93 Cb -0.09 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.17 2jna s ASP 93 CO 0.05 -2.24 1.93 0.00 0.21 0.00 0.00 175.17 175.12 2jna s ALA 94 N -1.75 1.75 0.00 5.23 0.00 -1.26 -3.08 121.76 122.64 2jna s ALA 94 Ca 0.78 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2jna s ALA 94 Cb -0.33 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.18 2jna s ALA 94 CO 0.44 -4.97 0.00 -2.37 0.00 0.00 0.00 175.76 168.86 2jna n THR 95 N 7.82 0.00 -0.90 0.00 5.66 -1.26 -5.01 114.28 120.59 2jna n THR 95 Ca 0.42 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.42 2jna n THR 95 Cb 0.47 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 2jna n THR 95 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2jna n LYS 96 N -0.13 -0.37 -4.21 1.09 4.76 -1.18 -4.99 118.16 113.13 2jna n LYS 96 Ca 0.00 0.09 -0.35 0.00 -2.87 0.00 0.00 58.31 55.19 2jna n LYS 96 Cb 0.00 -3.51 -0.10 0.00 -1.84 0.00 0.00 35.03 29.58 2jna n LYS 96 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jna s LEU 97 N 0.00 3.67 0.35 -0.35 1.43 -1.26 -5.11 118.68 117.42 2jna s LEU 97 Ca 0.00 0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 2jna s LEU 97 Cb 0.00 -1.88 -0.07 0.00 0.03 0.00 0.00 46.19 44.27 2jna s LEU 97 CO 0.00 0.28 0.05 -1.83 0.23 0.00 0.00 176.35 175.08 2jna s GLU 98 N -0.27 1.75 -0.36 1.70 4.04 -1.26 -4.91 118.70 119.39 2jna s GLU 98 Ca 0.07 -1.98 0.06 0.00 0.04 0.00 0.00 54.97 53.16 2jna s GLU 98 Cb -0.12 -1.06 0.47 0.00 0.02 0.00 0.00 34.13 33.43 2jna s GLU 98 CO 0.02 -0.17 1.43 1.58 -1.84 0.00 0.00 175.26 176.29 2jna n HIS 99 N -0.78 2.15 -0.27 4.83 -0.00 -1.26 -4.50 115.22 115.39 2jna n HIS 99 Ca -0.03 -2.14 0.07 0.00 0.46 0.00 0.00 57.72 56.08 2jna n HIS 99 Cb 0.67 -0.59 0.30 0.00 -0.12 0.00 0.00 29.99 30.25 2jna n HIS 99 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jna n HIS 100 N -0.90 1.33 -1.11 1.57 8.25 -1.26 -4.96 115.22 118.13 2jna n HIS 100 Ca 0.43 -0.51 -0.30 0.00 -0.26 0.00 0.00 57.72 57.08 2jna n HIS 100 Cb 0.92 -0.26 0.13 0.00 1.12 0.00 0.00 29.99 31.90 2jna n HIS 100 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jna s HIS 101 N -1.93 2.25 -0.89 4.41 3.76 -1.26 -3.67 115.29 117.96 2jna s HIS 101 Ca 0.42 1.42 -0.01 0.00 -0.15 0.00 0.00 55.06 56.74 2jna s HIS 101 Cb 0.28 -3.14 0.00 0.00 1.11 0.00 0.00 32.58 30.83 2jna s HIS 101 CO 0.19 -2.36 0.09 0.72 -0.85 0.00 0.00 174.74 172.53 2jna n HIS 102 N -3.88 -0.65 -3.50 1.40 8.25 -1.26 -5.03 115.22 110.54 2jna n HIS 102 Ca 0.08 0.08 -0.23 0.00 -0.26 0.00 0.00 57.72 57.38 2jna n HIS 102 Cb 0.54 -2.61 0.02 0.00 1.12 0.00 0.00 29.99 29.06 2jna n HIS 102 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jna s HIS 103 N -2.63 1.55 -2.44 4.41 -0.00 -1.24 -5.30 115.29 109.64 2jna s HIS 103 Ca 0.04 -0.78 0.28 0.00 -0.00 0.00 0.00 55.06 54.60 2jna s HIS 103 Cb -0.02 -2.05 1.15 0.00 -0.00 0.00 0.00 32.58 31.66 2jna s HIS 103 CO 0.05 -0.77 1.80 0.72 -0.00 0.00 0.00 174.74 176.54