#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 -3.66 0.00 2.12 2.85 -1.26 -5.04 118.16 113.17 2jna n LYS 2 Ca 0.00 2.74 0.00 0.00 -1.05 0.00 0.00 58.31 60.00 2jna n LYS 2 Cb 0.00 -3.13 0.00 0.00 -0.65 0.00 0.00 35.03 31.25 2jna n LYS 2 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2jna n LYS 3 N -1.09 1.63 -0.12 -1.58 2.85 -1.26 -5.16 118.16 113.42 2jna n LYS 3 Ca 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.28 2jna n LYS 3 Cb 0.05 -0.44 -0.00 0.00 -0.65 0.00 0.00 35.03 33.99 2jna n LYS 3 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2jna n ARG 4 N -0.35 -0.24 -3.46 -1.58 1.74 -1.26 -4.92 116.66 106.60 2jna n ARG 4 Ca 0.00 0.16 -0.03 0.00 -0.77 0.00 0.00 57.85 57.21 2jna n ARG 4 Cb 0.00 -0.30 -0.05 0.00 -1.02 0.00 0.00 32.46 31.09 2jna n ARG 4 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2jna s ILE 5 N -0.21 -0.84 -0.55 0.55 2.07 -1.26 -5.11 121.20 115.85 2jna s ILE 5 Ca 0.00 0.03 -0.14 0.00 -1.41 0.00 0.00 60.65 59.12 2jna s ILE 5 Cb 0.00 -0.89 0.14 0.00 0.13 0.00 0.00 42.46 41.84 2jna s ILE 5 CO 0.00 -0.01 0.49 -0.63 -1.91 0.00 0.00 174.94 172.88 2jna s ILE 6 N 2.75 5.01 -0.08 2.00 1.09 -1.26 -5.06 121.20 125.66 2jna s ILE 6 Ca 0.06 -1.66 -0.16 0.00 -1.10 0.00 0.00 60.65 57.79 2jna s ILE 6 Cb -0.13 -4.22 -0.05 0.00 -1.06 0.00 0.00 42.46 37.00 2jna s ILE 6 CO -0.17 -0.86 0.41 0.00 -0.10 0.00 0.00 174.94 174.21 2jna s ALA 7 N 1.40 3.59 0.24 9.38 0.00 -1.26 -4.92 121.76 130.19 2jna s ALA 7 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2jna s ALA 7 Cb -0.27 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.37 2jna s ALA 7 CO 0.01 0.22 0.00 0.00 0.00 0.00 0.00 175.76 175.99 2jna n ALA 8 N 2.90 -1.55 -3.72 0.00 0.00 -1.26 -5.10 120.51 111.78 2jna n ALA 8 Ca -0.11 0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.67 2jna n ALA 8 Cb 0.52 -0.63 -0.01 0.00 0.00 0.00 0.00 19.45 19.33 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 -3.18 -1.85 -0.94 0.00 0.00 -1.26 -5.09 121.76 109.44 2jna s ALA 9 Ca 0.00 0.29 -0.12 0.00 0.00 0.00 0.00 51.96 52.13 2jna s ALA 9 Cb 0.00 0.55 0.24 0.00 0.00 0.00 0.00 23.12 23.92 2jna s ALA 9 CO 0.00 -1.05 0.90 -1.17 0.00 0.00 0.00 175.76 174.44 2jna s LEU 10 N -2.98 6.61 0.13 0.00 2.96 -1.26 -4.86 118.68 119.28 2jna s LEU 10 Ca 0.13 -3.04 -0.07 0.00 -0.22 0.00 0.00 54.13 50.93 2jna s LEU 10 Cb 0.01 -2.21 -0.08 0.00 0.50 0.00 0.00 46.19 44.41 2jna s LEU 10 CO 0.00 -0.46 1.33 -0.07 -1.32 0.00 0.00 176.35 175.84 2jna h LEU 11 N 7.35 0.67 -0.34 -0.68 4.07 -2.06 -3.50 115.31 120.82 2jna h LEU 11 Ca 0.14 -0.48 0.08 0.00 0.08 0.00 0.00 57.88 57.70 2jna h LEU 11 Cb 0.98 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 42.47 2jna h LEU 11 CO 0.85 1.26 -0.53 0.00 -1.08 0.00 0.00 178.44 178.94 2jna n ALA 12 N -2.56 -1.49 -1.84 1.53 0.00 -1.26 -4.56 120.51 110.33 2jna n ALA 12 Ca -0.07 0.34 -0.40 0.00 0.00 0.00 0.00 53.44 53.31 2jna n ALA 12 Cb 0.78 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.35 2jna n ALA 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jna n THR 13 N -2.57 2.88 0.14 0.00 -1.04 -1.26 -3.88 114.28 108.55 2jna n THR 13 Ca -0.02 -2.73 0.00 0.00 -2.04 0.00 0.00 64.05 59.26 2jna n THR 13 Cb 0.28 -2.40 0.00 0.00 -1.82 0.00 0.00 70.33 66.39 2jna n THR 13 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2jna n VAL 14 N 6.11 0.08 -4.88 12.58 0.31 -1.26 -5.16 118.33 126.12 2jna n VAL 14 Ca 0.49 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.85 2jna n VAL 14 Cb 0.42 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 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 -3.47 0.00 0.01 3.52 0.00 -1.25 -4.85 120.51 114.47 2jna n ALA 15 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2jna n ALA 15 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.45 2jna n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jna n SER 16 N -2.53 0.96 0.00 0.00 7.64 -1.26 -4.97 113.62 113.45 2jna n SER 16 Ca 0.00 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2jna n SER 16 Cb 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2jna n SER 16 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2jna n PHE 17 N -3.40 0.00 0.37 1.43 7.35 -1.26 -0.27 117.46 121.68 2jna n PHE 17 Ca -0.03 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.79 2jna n PHE 17 Cb 0.10 0.00 0.23 0.00 0.35 0.00 0.00 39.48 40.16 2jna n PHE 17 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2jna h SER 18 N 0.00 0.00 -3.15 -2.13 0.87 -1.96 -3.43 113.55 103.75 2jna h SER 18 Ca 0.00 -0.02 -0.55 0.00 -1.23 0.00 0.00 61.79 59.99 2jna h SER 18 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 2jna h SER 18 CO 0.00 0.01 1.03 -0.89 -0.53 0.00 0.00 176.83 176.45 2jna s THR 19 N -3.19 3.94 -0.49 2.23 2.01 0.63 -4.95 115.64 115.81 2jna s THR 19 Ca 0.07 0.87 -0.27 0.00 0.31 0.00 0.00 61.69 62.67 2jna s THR 19 Cb 0.08 -4.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.07 2jna s THR 19 CO 0.66 -1.12 1.83 -0.76 -0.69 0.00 0.00 174.62 174.54 2jna s LEU 20 N 5.39 3.39 0.00 4.42 1.43 -1.26 -4.88 118.68 127.17 2jna s LEU 20 Ca 0.51 0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 54.33 2jna s LEU 20 Cb -0.10 -2.95 0.01 0.00 0.03 0.00 0.00 46.19 43.18 2jna s LEU 20 CO 0.28 -2.09 0.29 0.00 0.23 0.00 0.00 176.35 175.06 2jna n ALA 21 N 11.70 -0.36 -3.02 4.21 0.00 -1.26 -5.03 120.51 126.75 2jna n ALA 21 Ca 0.22 -0.80 -0.05 0.00 0.00 0.00 0.00 53.44 52.81 2jna n ALA 21 Cb 0.50 0.64 0.02 0.00 0.00 0.00 0.00 19.45 20.61 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 -1.79 -2.41 -3.34 0.00 0.00 -1.26 -5.03 120.51 106.68 2jna n ALA 22 Ca -0.07 0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 2jna n ALA 22 Cb 0.31 -2.79 -0.07 0.00 0.00 0.00 0.00 19.45 16.90 2jna n ALA 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jna s GLU 23 N -3.44 0.40 -0.13 0.00 2.02 -1.26 -5.13 118.70 111.16 2jna s GLU 23 Ca 0.15 -0.02 -0.31 0.00 0.02 0.00 0.00 54.97 54.81 2jna s GLU 23 Cb -0.02 -0.44 0.13 0.00 0.10 0.00 0.00 34.13 33.90 2jna s GLU 23 CO 0.70 -1.05 1.05 -1.14 0.02 0.00 0.00 175.26 174.84 2jna s GLN 24 N 2.42 0.55 0.03 1.61 -0.44 -1.26 -4.73 119.66 117.83 2jna s GLN 24 Ca 0.10 -0.09 0.08 0.00 -2.50 0.00 0.00 55.36 52.95 2jna s GLN 24 Cb -0.13 0.26 -0.02 0.00 -1.64 0.00 0.00 33.01 31.47 2jna s GLN 24 CO -0.29 -0.22 -0.23 0.14 0.50 0.00 0.00 175.29 175.19 2jna s VAL 25 N -2.15 1.83 0.00 1.34 -7.23 -1.26 -5.06 120.40 107.87 2jna s VAL 25 Ca 0.04 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 2jna s VAL 25 Cb -0.01 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.37 2jna s VAL 25 CO -0.04 0.33 0.00 -1.54 -0.31 0.00 0.00 175.10 173.54 2jna n SER 26 N 2.02 0.00 -0.24 4.85 3.41 -1.26 -4.65 113.62 117.74 2jna n SER 26 Ca -0.17 -0.76 -0.03 0.00 -0.26 0.00 0.00 58.87 57.65 2jna n SER 26 Cb 0.53 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.63 2jna n SER 26 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2jna h LYS 27 N 0.00 1.06 -0.00 4.33 3.64 -1.99 -2.58 116.57 121.03 2jna h LYS 27 Ca 0.00 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2jna h LYS 27 Cb 0.00 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 2jna h LYS 27 CO 0.00 0.82 0.00 1.96 -2.27 0.00 0.00 179.45 179.96 2jna h GLN 28 N 1.05 0.00 -0.79 1.90 7.50 -2.00 -2.66 115.11 120.12 2jna h GLN 28 Ca 0.26 -0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.38 2jna h GLN 28 Cb 0.11 -0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.60 2jna h GLN 28 CO -0.03 0.11 0.38 0.93 -1.50 0.00 0.00 178.83 178.72 2jna h GLU 29 N -0.11 1.13 -0.37 1.46 3.07 -1.90 0.62 114.58 118.49 2jna h GLU 29 Ca 0.00 -0.16 0.06 0.00 -0.50 0.00 0.00 59.36 58.75 2jna h GLU 29 Cb 0.11 -0.21 -0.05 0.00 -0.84 0.00 0.00 28.75 27.76 2jna h GLU 29 CO -0.00 0.87 0.06 0.82 -1.40 0.00 0.00 179.01 179.37 2jna h ILE 30 N 1.11 0.80 -0.14 3.13 2.04 -1.29 0.18 117.51 123.35 2jna h ILE 30 Ca 0.27 -0.06 -0.19 0.00 1.00 0.00 0.00 64.86 65.88 2jna h ILE 30 Cb 0.11 0.61 0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2jna h ILE 30 CO -0.03 0.03 -0.64 0.28 0.00 0.00 0.00 178.15 177.79 2jna h SER 31 N 0.18 0.81 0.67 1.72 0.02 -1.18 -1.91 113.55 113.86 2jna h SER 31 Ca 0.18 -0.63 -0.20 0.00 -0.84 0.00 0.00 61.79 60.29 2jna h SER 31 Cb 0.21 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2jna h SER 31 CO -0.24 1.30 -0.92 -0.74 -1.14 0.00 0.00 176.83 175.09 2jna h HIS 32 N 0.36 0.24 -0.02 3.45 6.17 -0.59 -3.17 115.15 121.58 2jna h HIS 32 Ca -0.04 -0.14 0.00 0.00 0.71 0.00 0.00 60.37 60.90 2jna h HIS 32 Cb 1.28 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 31.18 2jna h HIS 32 CO 0.10 0.99 -0.25 1.19 0.71 0.00 0.00 177.93 180.66 2jna n PHE 33 N -3.59 0.00 -2.97 5.26 3.72 0.61 -5.05 117.46 115.44 2jna n PHE 33 Ca -0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.35 2jna n PHE 33 Cb 0.84 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.37 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 0.48 -2.09 -4.05 -1.08 5.02 -0.75 -4.86 118.16 110.83 2jna n LYS 34 Ca 0.10 1.77 -0.28 0.00 -2.02 0.00 0.00 58.31 57.88 2jna n LYS 34 Cb 0.48 -1.83 -0.05 0.00 -0.02 0.00 0.00 35.03 33.60 2jna n LYS 34 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jna s LEU 35 N -0.16 3.89 -0.54 -0.35 1.43 -1.03 -4.54 118.68 117.39 2jna s LEU 35 Ca -0.07 -0.03 -0.23 0.00 -1.03 0.00 0.00 54.13 52.77 2jna s LEU 35 Cb 0.00 -2.52 0.05 0.00 0.03 0.00 0.00 46.19 43.75 2jna s LEU 35 CO 0.19 0.11 0.87 -0.69 0.23 0.00 0.00 176.35 177.06 2jna s VAL 36 N -1.60 4.50 -0.19 -1.59 1.01 -0.90 -4.95 120.40 116.68 2jna s VAL 36 Ca 0.31 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.10 2jna s VAL 36 Cb -0.11 -4.49 -0.02 0.00 0.00 0.00 0.00 36.38 31.77 2jna s VAL 36 CO 0.24 -1.05 1.35 -0.75 0.00 0.00 0.00 175.10 174.89 2jna s LYS 37 N 3.66 4.12 -0.06 2.72 2.20 -1.26 -0.62 119.74 130.49 2jna s LYS 37 Ca 0.27 1.64 0.21 0.00 -0.36 0.00 0.00 55.97 57.73 2jna s LYS 37 Cb -0.14 -3.84 -0.32 0.00 -1.51 0.00 0.00 37.83 32.02 2jna s LYS 37 CO 0.17 -0.87 0.40 1.33 -0.36 0.00 0.00 175.35 176.03 2jna n VAL 38 N 5.66 0.26 -2.71 4.02 0.24 -0.88 -4.97 118.33 119.95 2jna n VAL 38 Ca 0.15 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 2jna n VAL 38 Cb 0.45 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 2jna n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jna n GLY 39 N 1.36 -1.22 3.19 7.63 0.00 -1.24 -5.02 105.19 109.89 2jna n GLY 39 Ca -0.09 -1.36 -0.26 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.65 1.52 0.01 2.61 2.01 -1.26 -0.76 115.64 117.12 2jna s THR 40 Ca 0.00 -0.82 0.06 0.00 0.31 0.00 0.00 61.69 61.24 2jna s THR 40 Cb 0.00 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 2jna s THR 40 CO 0.00 0.43 -0.15 0.27 -0.69 0.00 0.00 174.62 174.48 2jna s ILE 41 N -0.40 3.01 -0.07 1.82 -4.36 0.15 -4.94 121.20 116.41 2jna s ILE 41 Ca 0.06 -1.01 0.03 0.00 -0.26 0.00 0.00 60.65 59.48 2jna s ILE 41 Cb -0.08 -2.26 0.01 0.00 1.25 0.00 0.00 42.46 41.38 2jna s ILE 41 CO -0.00 0.40 -0.16 0.21 0.24 0.00 0.00 174.94 175.63 2jna s ASN 42 N -1.29 2.15 -0.19 4.36 3.04 -1.26 -1.42 114.94 120.33 2jna s ASN 42 Ca 0.15 -0.37 -0.16 0.00 0.04 0.00 0.00 52.86 52.51 2jna s ASN 42 Cb -0.11 -0.91 -0.04 0.00 -1.54 0.00 0.00 41.25 38.65 2jna s ASN 42 CO 0.05 0.09 0.42 -0.69 -3.04 0.00 0.00 177.10 173.92 2jna s VAL 43 N 0.46 5.19 -0.40 -5.21 1.01 0.96 -4.94 120.40 117.46 2jna s VAL 43 Ca -0.13 0.75 0.05 0.00 0.00 0.00 0.00 61.98 62.65 2jna s VAL 43 Cb -0.15 -3.75 0.17 0.00 0.00 0.00 0.00 36.38 32.65 2jna s VAL 43 CO 0.05 0.25 0.50 -0.55 0.00 0.00 0.00 175.10 175.35 2jna s SER 44 N 1.00 -0.05 0.12 3.32 0.15 -1.23 -1.51 113.70 115.50 2jna s SER 44 Ca 0.20 -1.36 -0.00 0.00 0.70 0.00 0.00 55.95 55.49 2jna s SER 44 Cb -0.15 1.16 -0.04 0.00 -1.71 0.00 0.00 66.02 65.28 2jna s SER 44 CO 0.08 -0.20 0.01 -1.10 1.20 0.00 0.00 173.24 173.23 2jna s GLN 45 N 1.48 0.89 0.56 5.44 1.11 -1.18 -4.94 119.66 123.01 2jna s GLN 45 Ca 0.18 -1.40 -0.20 0.00 0.01 0.00 0.00 55.36 53.95 2jna s GLN 45 Cb -0.09 0.08 -0.05 0.00 -1.01 0.00 0.00 33.01 31.94 2jna s GLN 45 CO -0.05 -0.18 1.21 -1.54 0.01 0.00 0.00 175.29 174.74 2jna s SER 46 N -3.05 5.44 -0.13 5.90 1.04 -1.26 -0.28 113.70 121.37 2jna s SER 46 Ca 0.19 2.39 -0.30 0.00 0.48 0.00 0.00 55.95 58.72 2jna s SER 46 Cb 0.07 -2.60 -0.07 0.00 0.10 0.00 0.00 66.02 63.51 2jna s SER 46 CO -0.01 -1.42 2.11 0.61 0.98 0.00 0.00 173.24 175.50 2jna n GLY 47 N 0.48 1.32 0.00 7.32 0.00 0.14 -2.24 105.19 112.21 2jna n GLY 47 Ca 0.12 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.95 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 5.28 4.40 0.17 -0.02 0.00 -1.26 -4.92 105.19 108.84 2jna n GLY 48 Ca 0.27 -0.78 0.02 0.00 0.00 0.00 0.00 46.02 45.52 2jna n GLY 48 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2jna h GLN 49 N 0.00 0.00 -4.82 1.61 4.20 -1.81 -3.38 115.11 110.91 2jna h GLN 49 Ca 0.00 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.04 2jna h GLN 49 Cb 0.00 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 27.42 2jna h GLN 49 CO 0.00 0.48 -0.76 0.42 -0.67 0.00 0.00 178.83 178.29 2jna s ILE 50 N -3.85 2.43 -0.05 2.54 -1.09 -1.26 -4.95 121.20 114.97 2jna s ILE 50 Ca -0.02 -1.62 -0.01 0.00 -2.23 0.00 0.00 60.65 56.77 2jna s ILE 50 Cb 0.13 -2.45 -0.03 0.00 -1.58 0.00 0.00 42.46 38.54 2jna s ILE 50 CO 0.73 -0.10 -0.06 -0.24 -1.23 0.00 0.00 174.94 174.05 2jna n SER 51 N 4.48 2.15 -4.85 3.58 2.88 -1.26 -4.92 113.62 115.67 2jna n SER 51 Ca -0.12 0.01 -0.24 0.00 -1.33 0.00 0.00 58.87 57.19 2jna n SER 51 Cb 0.42 -0.11 -0.04 0.00 -0.75 0.00 0.00 64.21 63.73 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 -4.93 5.76 0.52 -3.46 0.01 -1.26 -5.00 113.70 105.34 2jna s SER 52 Ca -0.07 -0.09 0.19 0.00 1.31 0.00 0.00 55.95 57.29 2jna s SER 52 Cb 0.02 -1.56 1.33 0.00 0.21 0.00 0.00 66.02 66.02 2jna s SER 52 CO 0.10 0.02 2.13 1.55 0.41 0.00 0.00 173.24 177.45 2jna h PRO 53 N 1.92 0.00 -0.47 12.44 0.13 -2.01 -1.64 132.00 142.38 2jna h PRO 53 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.63 0.05 0.30 0.77 -0.23 0.00 0.00 178.00 179.52 2jna h SER 54 N 0.00 0.54 -0.49 1.44 0.02 -1.99 -2.37 113.55 110.70 2jna h SER 54 Ca -0.00 -0.03 0.07 0.00 -0.84 0.00 0.00 61.79 60.99 2jna h SER 54 Cb 0.09 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.44 2jna h SER 54 CO 0.01 0.41 0.16 0.44 -1.14 0.00 0.00 176.83 176.70 2jna h ASP 55 N 0.63 0.13 -0.33 3.07 3.32 -1.69 0.07 116.42 121.62 2jna h ASP 55 Ca 0.17 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.32 2jna h ASP 55 Cb -0.05 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 2jna h ASP 55 CO -0.03 0.10 0.11 0.25 -1.72 0.00 0.00 179.24 177.95 2jna h LEU 56 N 0.32 0.12 -0.86 1.55 5.85 -1.40 -1.77 115.31 119.13 2jna h LEU 56 Ca 0.24 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.87 2jna h LEU 56 Cb 0.27 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2jna h LEU 56 CO -0.26 0.11 -0.52 -0.09 -0.34 0.00 0.00 178.44 177.34 2jna h ARG 57 N 0.26 0.14 -0.55 1.25 1.12 -0.86 -0.66 114.38 115.06 2jna h ARG 57 Ca 0.15 -0.08 -0.03 0.00 -1.11 0.00 0.00 59.98 58.91 2jna h ARG 57 Cb 0.12 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.06 2jna h ARG 57 CO -0.15 0.62 0.22 0.93 -3.11 0.00 0.00 179.97 178.48 2jna h GLU 58 N 0.11 0.82 -0.24 0.20 4.39 -0.53 0.19 114.58 119.53 2jna h GLU 58 Ca 0.00 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.50 2jna h GLU 58 Cb 0.95 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2jna h GLU 58 CO 0.07 0.71 -0.05 0.87 -1.16 0.00 0.00 179.01 179.46 2jna h LYS 59 N 0.75 0.46 -0.60 2.33 1.79 -1.00 -2.51 116.57 117.80 2jna h LYS 59 Ca 0.18 -0.17 -0.08 0.00 -2.18 0.00 0.00 60.65 58.40 2jna h LYS 59 Cb 0.20 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 2jna h LYS 59 CO -0.02 0.68 0.06 -0.07 -1.08 0.00 0.00 179.45 179.03 2jna h LEU 60 N 0.21 0.95 -1.16 2.94 3.38 -0.99 -2.45 115.31 118.19 2jna h LEU 60 Ca 0.06 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2jna h LEU 60 Cb 0.50 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2jna h LEU 60 CO 0.02 0.97 0.10 -1.28 0.09 0.00 0.00 178.44 178.34 2jna h SER 61 N 0.93 0.64 -0.72 -0.43 0.87 -0.58 0.16 113.55 114.40 2jna h SER 61 Ca 0.18 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2jna h SER 61 Cb 0.45 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 2jna h SER 61 CO 0.02 0.64 0.48 -0.08 -0.53 0.00 0.00 176.83 177.36 2jna h GLU 62 N 0.67 0.94 -0.03 2.24 4.57 -0.98 0.48 114.58 122.46 2jna h GLU 62 Ca 0.15 -0.06 -0.19 0.00 -1.18 0.00 0.00 59.36 58.08 2jna h GLU 62 Cb 0.27 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2jna h GLU 62 CO -0.00 0.62 -0.80 -0.07 -1.18 0.00 0.00 179.01 177.57 2jna h LEU 63 N 0.96 0.35 -0.68 1.64 3.38 -1.07 -2.82 115.31 117.06 2jna h LEU 63 Ca 0.27 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2jna h LEU 63 Cb -0.09 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2jna h LEU 63 CO -0.07 1.01 0.13 0.00 0.09 0.00 0.00 178.44 179.61 2jna h ALA 64 N 0.97 0.91 -0.54 1.53 0.00 -0.27 -2.15 119.26 119.70 2jna h ALA 64 Ca -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2jna h ALA 64 Cb 1.40 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2jna h ALA 64 CO 0.13 0.66 0.29 0.22 0.00 0.00 0.00 179.25 180.54 2jna h ASP 65 N 1.05 0.66 -0.02 0.00 3.58 -0.86 -0.55 116.42 120.28 2jna h ASP 65 Ca 0.21 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2jna h ASP 65 Cb 0.41 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2jna h ASP 65 CO 0.01 0.55 0.00 0.00 -2.88 0.00 0.00 179.24 176.91 2jna n ALA 66 N -2.45 2.63 -0.10 -0.78 0.00 -0.86 -2.71 120.51 116.23 2jna n ALA 66 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2jna n ALA 66 Cb 0.10 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2jna n ALA 66 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jna n LYS 67 N -0.69 -0.86 -3.55 0.00 4.76 -0.47 -5.01 118.16 112.34 2jna n LYS 67 Ca 0.18 -0.45 -0.23 0.00 -2.87 0.00 0.00 58.31 54.95 2jna n LYS 67 Cb 0.12 -0.95 0.08 0.00 -1.84 0.00 0.00 35.03 32.45 2jna n LYS 67 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jna n GLY 68 N 0.00 -0.49 3.59 0.72 0.00 -0.34 -4.99 105.19 103.69 2jna n GLY 68 Ca 0.00 0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.36 1.77 0.30 -0.02 0.00 -0.72 -4.87 107.32 100.43 2jna s GLY 69 Ca 0.54 -0.82 0.16 0.00 0.00 0.00 0.00 44.72 44.59 2jna s GLY 69 CO 0.70 -0.36 1.52 0.50 0.00 0.00 0.00 173.10 175.46 2jna h LYS 70 N 5.85 0.00 -3.63 2.90 1.79 -1.89 -3.42 116.57 118.17 2jna h LYS 70 Ca -0.42 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 57.93 2jna h LYS 70 Cb 1.19 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.78 2jna h LYS 70 CO 0.58 0.50 -0.03 1.52 -1.08 0.00 0.00 179.45 180.95 2jna s TYR 71 N -3.13 0.54 0.23 -1.35 -0.85 -1.26 -4.82 117.35 106.72 2jna s TYR 71 Ca 0.03 -0.93 -0.08 0.00 -0.52 0.00 0.00 57.07 55.56 2jna s TYR 71 Cb 0.09 0.28 -0.02 0.00 0.38 0.00 0.00 41.96 42.69 2jna s TYR 71 CO 0.73 -1.21 0.36 1.52 -1.52 0.00 0.00 175.55 175.43 2jna s TYR 72 N -3.21 0.66 -0.14 -3.49 1.13 -1.26 -2.69 117.35 108.34 2jna s TYR 72 Ca 0.23 -0.96 -0.02 0.00 -1.41 0.00 0.00 57.07 54.90 2jna s TYR 72 Cb -0.02 -0.08 0.05 0.00 -1.10 0.00 0.00 41.96 40.81 2jna s TYR 72 CO 0.14 -0.88 0.03 -1.58 -2.51 0.00 0.00 175.55 170.75 2jna s HIS 73 N -4.04 0.81 -0.04 -3.49 2.46 0.10 -4.37 115.29 106.71 2jna s HIS 73 Ca 0.28 -0.52 -0.30 0.00 0.47 0.00 0.00 55.06 54.99 2jna s HIS 73 Cb 0.02 -0.90 -0.03 0.00 -0.13 0.00 0.00 32.58 31.54 2jna s HIS 73 CO 0.10 -0.48 1.06 0.42 -2.47 0.00 0.00 174.74 173.37 2jna s ILE 74 N 1.93 4.62 -0.22 0.89 1.01 -1.26 -1.00 121.20 127.16 2jna s ILE 74 Ca 0.02 1.89 0.09 0.00 0.00 0.00 0.00 60.65 62.65 2jna s ILE 74 Cb -0.15 -4.21 -0.20 0.00 0.01 0.00 0.00 42.46 37.91 2jna s ILE 74 CO -0.07 0.07 -0.08 2.30 0.00 0.00 0.00 174.94 177.16 2jna n ILE 75 N 4.26 1.38 -3.64 2.92 -5.35 -0.45 -4.98 119.36 113.50 2jna n ILE 75 Ca 0.08 -0.68 -0.15 0.00 -0.27 0.00 0.00 62.75 61.74 2jna n ILE 75 Cb 0.49 -0.95 -0.08 0.00 -1.74 0.00 0.00 39.64 37.36 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 -1.44 -0.12 -1.28 0.00 -1.20 -5.04 121.76 110.19 2jna s ALA 76 Ca -0.22 1.32 -0.05 0.00 0.00 0.00 0.00 51.96 53.01 2jna s ALA 76 Cb 0.07 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.77 2jna s ALA 76 CO 0.68 -0.30 0.27 0.00 0.00 0.00 0.00 175.76 176.40 2jna s ALA 77 N -0.44 -0.60 0.02 0.00 0.00 -1.26 0.11 121.76 119.58 2jna s ALA 77 Ca -0.06 1.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.85 2jna s ALA 77 Cb -0.03 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 2jna s ALA 77 CO 0.04 -0.44 0.11 -0.98 0.00 0.00 0.00 175.76 174.49 2jna s ARG 78 N 1.89 0.53 -0.27 0.00 3.03 0.48 -4.98 118.95 119.63 2jna s ARG 78 Ca -0.04 -0.57 -0.24 0.00 2.03 0.00 0.00 55.73 56.91 2jna s ARG 78 Cb -0.11 0.21 -0.00 0.00 -1.03 0.00 0.00 34.95 34.02 2jna s ARG 78 CO -0.09 -0.13 0.80 -1.83 -1.13 0.00 0.00 175.30 172.92 2jna s GLU 79 N -1.95 4.09 0.37 3.89 -1.05 -1.26 -1.00 118.70 121.79 2jna s GLU 79 Ca -0.10 0.77 0.20 0.00 -0.15 0.00 0.00 54.97 55.68 2jna s GLU 79 Cb -0.05 -3.68 0.22 0.00 -0.44 0.00 0.00 34.13 30.18 2jna s GLU 79 CO -0.01 -0.57 1.53 1.25 0.95 0.00 0.00 175.26 178.41 2jna h HIS 80 N 7.88 0.00 0.00 4.83 -0.00 -1.08 -3.48 115.15 123.29 2jna h HIS 80 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.13 2jna h HIS 80 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.51 2jna h HIS 80 CO 0.76 0.21 0.00 0.41 -0.00 0.00 0.00 177.93 179.32 2jna n GLY 81 N 1.15 1.77 0.20 5.26 0.00 -1.26 -4.72 105.19 107.59 2jna n GLY 81 Ca 0.03 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.56 2jna n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jna h PRO 82 N 0.00 0.00 -6.88 1.61 0.13 -1.95 -3.44 132.00 121.47 2jna h PRO 82 Ca 0.00 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.44 2jna h PRO 82 Cb 0.00 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.92 2jna h PRO 82 CO 0.00 0.29 -0.86 -0.80 -0.23 0.00 0.00 178.00 176.40 2jna s ASN 83 N -6.28 3.39 -0.23 1.44 -0.87 -1.26 -0.68 114.94 110.45 2jna s ASN 83 Ca 0.02 -0.73 -0.06 0.00 -1.57 0.00 0.00 52.86 50.52 2jna s ASN 83 Cb 0.09 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.25 41.04 2jna s ASN 83 CO 0.67 0.18 0.02 0.12 -2.57 0.00 0.00 177.10 175.52 2jna s PHE 84 N -1.09 3.04 -0.20 2.20 5.36 0.62 -0.38 117.98 127.53 2jna s PHE 84 Ca 0.15 -0.54 -0.00 0.00 -0.96 0.00 0.00 56.93 55.58 2jna s PHE 84 Cb -0.10 -2.16 0.02 0.00 -0.34 0.00 0.00 43.02 40.44 2jna s PHE 84 CO 0.07 -0.35 -0.15 -1.21 -1.46 0.00 0.00 175.22 172.12 2jna s GLU 85 N 1.37 3.02 -0.08 10.12 2.02 -0.17 -3.13 118.70 131.84 2jna s GLU 85 Ca 0.05 -0.83 0.05 0.00 0.02 0.00 0.00 54.97 54.26 2jna s GLU 85 Cb -0.15 -2.73 -0.00 0.00 0.10 0.00 0.00 34.13 31.35 2jna s GLU 85 CO 0.01 -0.25 -0.23 0.00 0.02 0.00 0.00 175.26 174.82 2jna s ALA 86 N 1.33 2.02 -0.29 5.21 0.00 -0.57 -0.39 121.76 129.07 2jna s ALA 86 Ca 0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 2jna s ALA 86 Cb -0.14 -0.72 0.03 0.00 0.00 0.00 0.00 23.12 22.29 2jna s ALA 86 CO -0.10 0.31 0.04 0.08 0.00 0.00 0.00 175.76 176.09 2jna s VAL 87 N 0.19 3.46 -0.04 0.00 1.01 0.12 -0.03 120.40 125.10 2jna s VAL 87 Ca -0.12 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 60.89 2jna s VAL 87 Cb -0.16 -2.86 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 2jna s VAL 87 CO 0.06 0.01 -0.18 0.00 0.00 0.00 0.00 175.10 174.99 2jna s ALA 88 N 1.39 1.62 -0.13 5.51 0.00 -0.51 -1.34 121.76 128.30 2jna s ALA 88 Ca -0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 2jna s ALA 88 Cb -0.18 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 2jna s ALA 88 CO 0.00 0.30 0.02 -1.21 0.00 0.00 0.00 175.76 174.87 2jna s GLU 89 N -0.02 3.45 -0.07 0.00 2.02 -0.17 0.32 118.70 124.22 2jna s GLU 89 Ca -0.03 -0.39 -0.19 0.00 0.02 0.00 0.00 54.97 54.37 2jna s GLU 89 Cb -0.12 -2.97 -0.05 0.00 0.10 0.00 0.00 34.13 31.10 2jna s GLU 89 CO 0.02 0.49 0.52 0.08 0.02 0.00 0.00 175.26 176.39 2jna s VAL 90 N -0.27 5.09 -0.12 2.63 1.01 0.06 0.02 120.40 128.81 2jna s VAL 90 Ca 0.07 1.07 0.02 0.00 0.00 0.00 0.00 61.98 63.14 2jna s VAL 90 Cb -0.12 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.41 2jna s VAL 90 CO 0.02 0.36 -0.18 -0.31 0.00 0.00 0.00 175.10 174.99 2jna s TYR 91 N 0.28 2.23 0.24 5.22 1.51 -1.10 -2.08 117.35 123.65 2jna s TYR 91 Ca 0.28 -1.06 -0.15 0.00 -1.01 0.00 0.00 57.07 55.13 2jna s TYR 91 Cb -0.16 -1.56 -0.08 0.00 -0.11 0.00 0.00 41.96 40.04 2jna s TYR 91 CO 0.13 -0.51 0.66 -0.80 -1.11 0.00 0.00 175.55 173.92 2jna s ASN 92 N 0.88 6.83 0.54 2.29 0.02 0.21 -4.03 114.94 121.69 2jna s ASN 92 Ca -0.08 1.21 -0.20 0.00 -1.02 0.00 0.00 52.86 52.77 2jna s ASN 92 Cb -0.15 -2.34 -0.07 0.00 0.02 0.00 0.00 41.25 38.71 2jna s ASN 92 CO -0.01 -0.05 0.91 0.47 0.02 0.00 0.00 177.10 178.45 2jna n ASP 93 N 0.23 0.66 -2.00 -1.22 9.92 -1.26 -2.11 116.55 120.76 2jna n ASP 93 Ca -0.01 0.87 -0.06 0.00 -0.53 0.00 0.00 54.79 55.07 2jna n ASP 93 Cb 0.52 -1.35 -0.08 0.00 -0.64 0.00 0.00 41.12 39.58 2jna n ASP 93 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jna n ALA 94 N -1.33 4.17 0.00 2.24 0.00 -1.26 -2.76 120.51 121.57 2jna n ALA 94 Ca 0.12 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2jna n ALA 94 Cb 0.45 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.91 2jna n ALA 94 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jna n THR 95 N 2.35 0.00 0.08 0.00 -1.04 -1.26 -4.46 114.28 109.95 2jna n THR 95 Ca 0.20 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.18 2jna n THR 95 Cb 0.53 -0.21 0.19 0.00 -1.82 0.00 0.00 70.33 69.02 2jna n THR 95 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2jna h LYS 96 N 0.00 0.26 -0.14 -2.82 3.64 -1.87 -2.95 116.57 112.69 2jna h LYS 96 Ca 0.00 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 2jna h LYS 96 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2jna h LYS 96 CO 0.00 0.67 -0.12 1.28 -2.27 0.00 0.00 179.45 179.01 2jna n LEU 97 N -3.99 3.18 -4.43 5.20 4.77 -1.21 -4.98 117.00 115.55 2jna n LEU 97 Ca -0.02 -3.39 -0.32 0.00 -0.03 0.00 0.00 56.01 52.26 2jna n LEU 97 Cb 0.51 -0.52 -0.14 0.00 -2.33 0.00 0.00 43.42 40.94 2jna n LEU 97 CO 0.43 0.96 -0.50 -0.70 -1.33 0.00 0.00 177.39 176.25 2jna s GLU 98 N -3.02 2.28 -0.44 3.23 -6.30 -1.11 -5.04 118.70 108.30 2jna s GLU 98 Ca 0.38 -0.83 0.06 0.00 -2.50 0.00 0.00 54.97 52.08 2jna s GLU 98 Cb 0.34 -2.24 0.21 0.00 0.00 0.00 0.00 34.13 32.44 2jna s GLU 98 CO 0.02 0.59 0.55 1.58 0.02 0.00 0.00 175.26 178.01 2jna n HIS 99 N 2.16 -1.68 -0.11 5.30 -0.00 -1.26 -4.35 115.22 115.27 2jna n HIS 99 Ca -0.17 -2.78 -0.22 0.00 -0.00 0.00 0.00 57.72 54.55 2jna n HIS 99 Cb 0.52 0.51 -0.11 0.00 -0.00 0.00 0.00 29.99 30.91 2jna n HIS 99 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jna n HIS 100 N 2.27 0.96 0.00 1.57 8.25 -1.26 -4.94 115.22 122.06 2jna n HIS 100 Ca 0.22 0.41 0.00 0.00 -0.26 0.00 0.00 57.72 58.09 2jna n HIS 100 Cb 0.53 -1.10 0.00 0.00 1.12 0.00 0.00 29.99 30.55 2jna n HIS 100 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jna n HIS 101 N -4.41 0.00 0.00 4.41 -0.00 -1.26 -5.03 115.22 108.93 2jna n HIS 101 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.38 2jna n HIS 101 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.69 2jna n HIS 101 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jna n HIS 102 N -0.71 0.00 -4.01 1.57 -0.00 -1.26 -5.09 115.22 105.72 2jna n HIS 102 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 2jna n HIS 102 Cb 0.00 0.04 -0.09 0.00 -0.00 0.00 0.00 29.99 29.94 2jna n HIS 102 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jna s HIS 103 N -1.62 0.42 -2.50 1.57 0.00 -1.26 -4.86 115.29 107.03 2jna s HIS 103 Ca 0.00 -0.89 0.20 0.00 -3.00 0.00 0.00 55.06 51.37 2jna s HIS 103 Cb 0.00 -0.26 0.16 0.00 -4.00 0.00 0.00 32.58 28.48 2jna s HIS 103 CO 0.00 -0.48 1.13 1.58 -1.00 0.00 0.00 174.74 175.97