#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 0.17 0.17 2.12 1.02 -1.26 -5.04 119.74 116.93 2jna s LYS 2 Ca 0.00 0.25 -0.14 0.00 0.02 0.00 0.00 55.97 56.10 2jna s LYS 2 Cb 0.00 -1.10 0.07 0.00 -0.52 0.00 0.00 37.83 36.28 2jna s LYS 2 CO 0.00 -0.61 1.83 0.87 -0.92 0.00 0.00 175.35 176.52 2jna h LYS 3 N 8.32 0.72 0.00 1.68 1.57 -2.10 -3.48 116.57 123.28 2jna h LYS 3 Ca -0.17 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2jna h LYS 3 Cb 1.15 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 2jna h LYS 3 CO 0.26 0.49 -0.00 0.54 -0.57 0.00 0.00 179.45 180.18 2jna n ARG 4 N -4.69 -0.01 0.00 3.15 5.12 -1.26 -4.78 116.66 114.19 2jna n ARG 4 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 2jna n ARG 4 Cb 0.03 -0.01 0.00 0.00 -1.16 0.00 0.00 32.46 31.32 2jna n ARG 4 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2jna n ILE 5 N -1.86 0.00 -2.42 0.55 2.08 -1.26 -4.74 119.36 111.71 2jna n ILE 5 Ca 0.00 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.29 2jna n ILE 5 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 38.88 2jna n ILE 5 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 2jna n ILE 6 N 0.00-10.38 -0.59 1.39 5.41 -1.26 -5.10 119.36 108.83 2jna n ILE 6 Ca 0.00 1.79 0.00 0.00 1.00 0.00 0.00 62.75 65.54 2jna n ILE 6 Cb 0.00 -6.17 0.00 0.00 -0.71 0.00 0.00 39.64 32.76 2jna n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jna n ALA 7 N 0.89 0.00 -2.30 -1.39 0.00 -1.26 -4.97 120.51 111.48 2jna n ALA 7 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 2jna n ALA 7 Cb 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.67 2jna n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jna n ALA 8 N -3.00 -0.38 -2.28 0.00 0.00 -1.26 -4.99 120.51 108.61 2jna n ALA 8 Ca 0.00 0.11 -0.41 0.00 0.00 0.00 0.00 53.44 53.13 2jna n ALA 8 Cb 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 19.45 17.81 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 -2.63 3.31 -0.39 0.00 0.00 -1.26 -5.01 121.76 115.78 2jna s ALA 9 Ca 0.03 0.73 -0.13 0.00 0.00 0.00 0.00 51.96 52.59 2jna s ALA 9 Cb -0.01 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.78 2jna s ALA 9 CO 0.03 -0.22 0.25 -1.17 0.00 0.00 0.00 175.76 174.65 2jna s LEU 10 N 0.23 4.89 -0.25 0.00 2.96 -1.26 -5.05 118.68 120.19 2jna s LEU 10 Ca 0.51 -0.98 -0.10 0.00 -0.22 0.00 0.00 54.13 53.35 2jna s LEU 10 Cb -0.27 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 2jna s LEU 10 CO 0.31 -0.42 0.15 -0.22 -1.32 0.00 0.00 176.35 174.85 2jna s LEU 11 N 1.60 3.91 -0.46 -0.68 1.98 -1.26 -5.06 118.68 118.71 2jna s LEU 11 Ca 0.03 -0.01 -0.16 0.00 -2.89 0.00 0.00 54.13 51.10 2jna s LEU 11 Cb -0.19 -2.06 0.05 0.00 0.66 0.00 0.00 46.19 44.65 2jna s LEU 11 CO 0.08 0.00 0.42 0.00 -1.89 0.00 0.00 176.35 174.96 2jna s ALA 12 N 1.42 3.49 -0.36 5.97 0.00 -1.26 -5.01 121.76 126.01 2jna s ALA 12 Ca 0.07 -1.86 0.03 0.00 0.00 0.00 0.00 51.96 50.19 2jna s ALA 12 Cb -0.15 -3.07 0.11 0.00 0.00 0.00 0.00 23.12 20.00 2jna s ALA 12 CO 0.07 -1.69 0.10 0.99 0.00 0.00 0.00 175.76 175.22 2jna s THR 13 N 1.90 1.88 0.24 0.00 2.01 -1.26 -5.11 115.64 115.30 2jna s THR 13 Ca 0.07 -2.20 0.04 0.00 0.31 0.00 0.00 61.69 59.90 2jna s THR 13 Cb -0.21 -2.38 0.04 0.00 0.01 0.00 0.00 72.50 69.95 2jna s THR 13 CO 0.09 -0.66 0.29 1.33 -0.69 0.00 0.00 174.62 174.99 2jna n VAL 14 N 4.25 0.00 -3.90 3.82 0.24 -1.26 -5.15 118.33 116.33 2jna n VAL 14 Ca 0.03 -0.86 -0.09 0.00 -2.04 0.00 0.00 64.34 61.37 2jna n VAL 14 Cb 0.41 -0.65 -0.05 0.00 -1.47 0.00 0.00 33.84 32.08 2jna n VAL 14 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jna s ALA 15 N -2.31 -0.38 -0.29 2.33 0.00 -1.26 -5.13 121.76 114.72 2jna s ALA 15 Ca 0.22 -0.67 -0.25 0.00 0.00 0.00 0.00 51.96 51.27 2jna s ALA 15 Cb -0.02 0.92 0.00 0.00 0.00 0.00 0.00 23.12 24.03 2jna s ALA 15 CO 0.14 -0.76 0.87 0.45 0.00 0.00 0.00 175.76 176.46 2jna s SER 16 N -2.95 6.79 0.00 0.00 0.15 -1.26 -4.99 113.70 111.44 2jna s SER 16 Ca 0.16 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.69 2jna s SER 16 Cb 0.01 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2jna s SER 16 CO 0.02 -0.64 0.00 0.49 1.20 0.00 0.00 173.24 174.31 2jna n PHE 17 N 6.28 0.00 -2.23 3.44 3.72 -1.26 -4.92 117.46 122.49 2jna n PHE 17 Ca 0.06 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.26 2jna n PHE 17 Cb 0.48 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.99 2jna n PHE 17 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2jna n SER 18 N -0.37 -5.66 0.00 4.37 7.64 -1.26 -4.98 113.62 113.36 2jna n SER 18 Ca 0.00 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2jna n SER 18 Cb 0.00 -4.78 0.00 0.00 -1.01 0.00 0.00 64.21 58.42 2jna n SER 18 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2jna n THR 19 N -3.61 0.00 -1.66 0.44 -2.24 -1.26 -5.03 114.28 100.91 2jna n THR 19 Ca -0.23 0.00 -0.50 0.00 -2.27 0.00 0.00 64.05 61.05 2jna n THR 19 Cb 0.68 -0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 2jna n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jna n LEU 20 N 0.00 2.80 -4.17 3.22 -0.00 -1.26 -4.97 117.00 112.62 2jna n LEU 20 Ca 0.00 1.06 -0.18 0.00 -0.00 0.00 0.00 56.01 56.88 2jna n LEU 20 Cb 0.00 -1.32 -0.12 0.00 -0.00 0.00 0.00 43.42 41.98 2jna n LEU 20 CO 0.00 -0.39 -0.46 0.00 -0.00 0.00 0.00 177.39 176.54 2jna s ALA 21 N 2.13 1.17 -0.89 1.47 0.00 -1.26 -5.07 121.76 119.31 2jna s ALA 21 Ca 0.87 -0.99 -0.25 0.00 0.00 0.00 0.00 51.96 51.59 2jna s ALA 21 Cb -0.80 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.22 2jna s ALA 21 CO 0.48 0.17 1.67 0.00 0.00 0.00 0.00 175.76 178.08 2jna s ALA 22 N -1.25 2.24 0.00 0.00 0.00 -1.26 -4.86 121.76 116.63 2jna s ALA 22 Ca -0.02 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.29 2jna s ALA 22 Cb -0.10 -4.48 0.00 0.00 0.00 0.00 0.00 23.12 18.54 2jna s ALA 22 CO 0.02 -4.07 0.00 0.39 0.00 0.00 0.00 175.76 172.10 2jna n GLU 23 N 8.98 0.00 0.00 0.00 1.02 -1.26 -5.16 120.64 124.22 2jna n GLU 23 Ca 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 2jna n GLU 23 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 2jna n GLU 23 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2jna n GLN 24 N 0.00 0.00 -4.54 3.49 0.00 -1.26 -5.04 117.38 110.02 2jna n GLN 24 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 56.66 2jna n GLN 24 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.13 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 -2.58 3.82 0.35 1.69 -7.23 -1.26 -5.09 120.40 110.10 2jna s VAL 25 Ca 0.00 -0.50 -0.03 0.00 -1.81 0.00 0.00 61.98 59.64 2jna s VAL 25 Cb 0.00 -2.59 0.08 0.00 0.56 0.00 0.00 36.38 34.42 2jna s VAL 25 CO 0.00 0.55 0.48 -1.20 -0.31 0.00 0.00 175.10 174.62 2jna n SER 26 N 2.05 0.33 0.01 4.85 7.64 -1.26 -4.65 113.62 122.59 2jna n SER 26 Ca -0.17 -1.35 -0.07 0.00 1.01 0.00 0.00 58.87 58.29 2jna n SER 26 Cb 0.53 -0.34 0.11 0.00 -1.01 0.00 0.00 64.21 63.50 2jna n SER 26 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2jna h LYS 27 N 0.00 0.50 -0.07 1.43 1.63 -1.99 -2.59 116.57 115.49 2jna h LYS 27 Ca -0.16 -0.27 -0.17 0.00 -0.85 0.00 0.00 60.65 59.20 2jna h LYS 27 Cb 0.50 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 2jna h LYS 27 CO 0.14 0.85 -0.70 -0.56 -3.45 0.00 0.00 179.45 175.73 2jna h GLN 28 N 0.41 0.32 -0.39 1.90 -0.00 -1.98 -1.90 115.11 113.47 2jna h GLN 28 Ca 0.03 -0.25 -0.03 0.00 -0.00 0.00 0.00 58.65 58.40 2jna h GLN 28 Cb 0.94 0.05 -0.02 0.00 -0.00 0.00 0.00 27.48 28.46 2jna h GLN 28 CO 0.08 0.89 0.14 0.93 -0.00 0.00 0.00 178.83 180.88 2jna h GLU 29 N 0.22 0.59 -0.98 0.06 3.07 -1.91 -1.85 114.58 113.78 2jna h GLU 29 Ca -0.02 -0.12 0.08 0.00 -0.50 0.00 0.00 59.36 58.80 2jna h GLU 29 Cb 1.25 -0.09 -0.07 0.00 -0.84 0.00 0.00 28.75 29.00 2jna h GLU 29 CO 0.11 0.58 0.63 0.82 -1.40 0.00 0.00 179.01 179.75 2jna h ILE 30 N 0.48 1.05 0.00 3.13 2.04 -1.31 -0.08 117.51 122.83 2jna h ILE 30 Ca 0.13 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2jna h ILE 30 Cb 0.22 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.14 2jna h ILE 30 CO -0.01 0.20 -0.04 0.28 0.00 0.00 0.00 178.15 178.58 2jna h SER 31 N 1.11 0.00 0.12 1.72 0.02 -0.99 0.59 113.55 116.11 2jna h SER 31 Ca 0.44 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 61.06 2jna h SER 31 Cb 0.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2jna h SER 31 CO -0.19 0.04 -1.72 0.45 -1.14 0.00 0.00 176.83 174.28 2jna h HIS 32 N 0.00 0.46 -0.00 3.45 3.86 -0.29 -3.36 115.15 119.27 2jna h HIS 32 Ca -0.00 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 2jna h HIS 32 Cb 0.63 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2jna h HIS 32 CO 0.00 1.68 -0.45 1.19 0.86 0.00 0.00 177.93 181.21 2jna n PHE 33 N -3.73 0.00 -3.57 2.45 3.72 -0.20 -4.96 117.46 111.17 2jna n PHE 33 Ca -0.29 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 56.89 2jna n PHE 33 Cb 0.97 -0.24 0.05 0.00 -0.94 0.00 0.00 39.48 39.32 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 -1.39 -3.51 -2.07 -1.08 4.01 0.17 -4.92 118.16 109.37 2jna n LYS 34 Ca 0.07 0.66 -0.38 0.00 -0.51 0.00 0.00 58.31 58.14 2jna n LYS 34 Cb 0.34 -5.13 0.01 0.00 -0.51 0.00 0.00 35.03 29.74 2jna n LYS 34 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2jna s LEU 35 N -6.30 3.98 0.19 -0.35 1.43 -1.04 -4.97 118.68 111.63 2jna s LEU 35 Ca 0.22 2.50 -0.30 0.00 -1.03 0.00 0.00 54.13 55.53 2jna s LEU 35 Cb -0.06 -4.21 -0.08 0.00 0.03 0.00 0.00 46.19 41.87 2jna s LEU 35 CO 0.80 -1.13 1.16 0.68 0.23 0.00 0.00 176.35 178.09 2jna s VAL 36 N -1.43 3.64 -0.25 -1.59 -7.23 -1.26 -4.94 120.40 107.35 2jna s VAL 36 Ca 0.65 1.42 -0.14 0.00 -1.81 0.00 0.00 61.98 62.11 2jna s VAL 36 Cb -0.34 -3.91 -0.04 0.00 0.56 0.00 0.00 36.38 32.65 2jna s VAL 36 CO 0.41 0.25 0.31 -0.75 -0.31 0.00 0.00 175.10 175.00 2jna s LYS 37 N -0.44 4.06 -0.10 4.82 2.20 -1.26 -1.58 119.74 127.45 2jna s LYS 37 Ca 0.51 -0.03 -0.24 0.00 -0.36 0.00 0.00 55.97 55.84 2jna s LYS 37 Cb -0.32 -3.60 -0.28 0.00 -1.51 0.00 0.00 37.83 32.13 2jna s LYS 37 CO 0.37 -0.12 0.76 0.28 -0.36 0.00 0.00 175.35 176.28 2jna h VAL 38 N 5.20 1.55 0.00 4.02 2.07 -0.97 -3.48 116.25 124.63 2jna h VAL 38 Ca -0.35 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 64.75 2jna h VAL 38 Cb 1.17 3.17 0.00 0.00 -1.52 0.00 0.00 31.29 34.11 2jna h VAL 38 CO 0.65 0.64 0.00 0.61 0.02 0.00 0.00 177.57 179.50 2jna n GLY 39 N 1.64 0.25 3.58 2.17 0.00 -1.18 -5.03 105.19 106.61 2jna n GLY 39 Ca -0.15 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.00 5.12 -0.02 2.61 2.01 -1.26 -0.94 115.64 121.16 2jna s THR 40 Ca 0.00 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.11 2jna s THR 40 Cb 0.00 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 2jna s THR 40 CO 0.00 0.29 0.02 0.27 -0.69 0.00 0.00 174.62 174.51 2jna s ILE 41 N 1.55 4.33 -0.06 1.82 -4.36 -0.33 -4.99 121.20 119.17 2jna s ILE 41 Ca 0.07 -0.49 0.03 0.00 -0.26 0.00 0.00 60.65 60.00 2jna s ILE 41 Cb -0.15 -2.93 0.01 0.00 1.25 0.00 0.00 42.46 40.64 2jna s ILE 41 CO 0.08 0.41 -0.13 0.54 0.24 0.00 0.00 174.94 176.08 2jna s ASN 42 N -1.49 1.81 -0.16 4.36 2.20 -1.26 -0.80 114.94 119.60 2jna s ASN 42 Ca 0.19 -0.30 -0.16 0.00 -0.94 0.00 0.00 52.86 51.65 2jna s ASN 42 Cb -0.12 -0.74 -0.04 0.00 -2.00 0.00 0.00 41.25 38.35 2jna s ASN 42 CO 0.10 0.06 0.39 -0.69 -2.94 0.00 0.00 177.10 174.02 2jna s VAL 43 N 0.49 5.23 -0.46 3.54 1.01 0.35 -4.93 120.40 125.63 2jna s VAL 43 Ca -0.12 0.75 0.06 0.00 0.00 0.00 0.00 61.98 62.67 2jna s VAL 43 Cb -0.14 -3.73 0.19 0.00 0.00 0.00 0.00 36.38 32.70 2jna s VAL 43 CO 0.03 0.32 0.57 -0.24 0.00 0.00 0.00 175.10 175.79 2jna n SER 44 N 3.90 -1.93 -4.66 3.32 2.88 -1.21 -1.05 113.62 114.88 2jna n SER 44 Ca -0.09 -2.72 -0.35 0.00 -1.33 0.00 0.00 58.87 54.38 2jna n SER 44 Cb 0.51 0.65 -0.09 0.00 -0.75 0.00 0.00 64.21 64.53 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 0.35 3.96 -0.57 -1.46 1.11 -1.09 -4.93 119.66 117.03 2jna s GLN 45 Ca 0.32 -0.32 -0.20 0.00 0.01 0.00 0.00 55.36 55.17 2jna s GLN 45 Cb 0.05 -3.23 0.07 0.00 -1.01 0.00 0.00 33.01 28.90 2jna s GLN 45 CO -0.13 0.31 0.76 0.45 0.01 0.00 0.00 175.29 176.69 2jna s SER 46 N 0.27 6.21 0.41 5.90 0.15 -1.26 -1.78 113.70 123.60 2jna s SER 46 Ca 0.05 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.67 2jna s SER 46 Cb -0.12 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2jna s SER 46 CO -0.00 -1.12 0.00 0.61 1.20 0.00 0.00 173.24 173.93 2jna n GLY 47 N 5.23 0.70 1.30 9.45 0.00 -0.04 -4.47 105.19 117.36 2jna n GLY 47 Ca -0.06 -1.10 -0.03 0.00 0.00 0.00 0.00 46.02 44.83 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 2.48 0.09 -0.02 0.00 -1.26 -3.46 105.19 103.01 2jna n GLY 48 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 0.50 0.00 -4.64 1.61 1.08 -1.91 -3.42 115.11 108.33 2jna h GLN 49 Ca 0.06 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.62 2jna h GLN 49 Cb 1.10 0.00 -0.37 0.00 -0.05 0.00 0.00 27.48 28.16 2jna h GLN 49 CO 0.13 0.72 -0.80 0.42 -0.95 0.00 0.00 178.83 178.34 2jna s ILE 50 N -2.78 1.82 -0.21 2.54 -1.09 -1.23 -4.93 121.20 115.32 2jna s ILE 50 Ca 0.00 -1.28 0.02 0.00 -2.23 0.00 0.00 60.65 57.16 2jna s ILE 50 Cb 0.09 -1.94 0.01 0.00 -1.58 0.00 0.00 42.46 39.04 2jna s ILE 50 CO 0.80 0.05 0.50 -1.20 -1.23 0.00 0.00 174.94 173.86 2jna n SER 51 N 4.59 1.02 -3.62 3.58 7.64 -1.26 -5.02 113.62 120.55 2jna n SER 51 Ca -0.14 -1.01 -0.16 0.00 1.01 0.00 0.00 58.87 58.57 2jna n SER 51 Cb 0.44 0.13 -0.07 0.00 -1.01 0.00 0.00 64.21 63.70 2jna n SER 51 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jna s SER 52 N -0.28 -0.50 0.48 6.43 0.01 -1.26 -5.02 113.70 113.57 2jna s SER 52 Ca 0.02 0.58 0.15 0.00 1.31 0.00 0.00 55.95 58.00 2jna s SER 52 Cb 0.02 0.56 1.16 0.00 0.21 0.00 0.00 66.02 67.96 2jna s SER 52 CO 0.03 -0.49 2.08 1.55 0.41 0.00 0.00 173.24 176.82 2jna h PRO 53 N 3.63 0.19 -0.20 12.44 0.13 -2.00 -1.38 132.00 144.81 2jna h PRO 53 Ca -0.28 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.71 2jna h PRO 53 Cb 1.16 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2jna h PRO 53 CO 0.36 0.12 -0.43 0.66 -0.23 0.00 0.00 178.00 178.48 2jna h SER 54 N 0.19 0.52 0.62 1.44 4.64 -2.00 -2.96 113.55 115.99 2jna h SER 54 Ca 0.11 -0.24 -0.19 0.00 -0.47 0.00 0.00 61.79 61.01 2jna h SER 54 Cb 0.21 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2jna h SER 54 CO -0.02 0.88 -0.84 -0.78 -0.87 0.00 0.00 176.83 175.21 2jna h ASP 55 N 0.40 0.19 0.00 4.97 1.82 -1.68 -2.82 116.42 119.30 2jna h ASP 55 Ca 0.03 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 2jna h ASP 55 Cb 0.92 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.87 2jna h ASP 55 CO 0.08 0.94 -0.02 0.25 -1.61 0.00 0.00 179.24 178.89 2jna h LEU 56 N 0.09 -0.04 -1.06 2.28 5.85 -1.23 -2.48 115.31 118.70 2jna h LEU 56 Ca -0.03 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 2jna h LEU 56 Cb 1.46 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 2jna h LEU 56 CO 0.12 -0.02 -0.30 0.08 -0.34 0.00 0.00 178.44 177.98 2jna h ARG 57 N -0.03 0.29 -0.80 1.25 0.11 -1.56 -2.54 114.38 111.10 2jna h ARG 57 Ca 0.01 -0.11 0.09 0.00 0.10 0.00 0.00 59.98 60.06 2jna h ARG 57 Cb 0.04 -0.02 -0.07 0.00 1.11 0.00 0.00 29.97 31.03 2jna h ARG 57 CO -0.02 0.57 0.46 0.93 0.10 0.00 0.00 179.97 182.01 2jna h GLU 58 N 0.26 0.76 -0.54 0.08 4.39 -1.20 0.67 114.58 118.99 2jna h GLU 58 Ca 0.04 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.71 2jna h GLU 58 Cb 0.66 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 2jna h GLU 58 CO 0.05 0.50 0.33 0.87 -1.16 0.00 0.00 179.01 179.60 2jna h LYS 59 N 0.78 0.64 -0.57 2.33 6.56 -1.03 -1.76 116.57 123.51 2jna h LYS 59 Ca 0.38 -0.04 -0.06 0.00 -1.06 0.00 0.00 60.65 59.87 2jna h LYS 59 Cb 0.33 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.82 2jna h LYS 59 CO -0.23 0.42 0.11 -0.07 -2.06 0.00 0.00 179.45 177.62 2jna h LEU 60 N 0.65 0.88 -1.00 2.94 3.38 -0.90 0.29 115.31 121.57 2jna h LEU 60 Ca 0.22 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2jna h LEU 60 Cb 0.02 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 2jna h LEU 60 CO -0.09 0.90 0.65 0.28 0.09 0.00 0.00 178.44 180.27 2jna h SER 61 N 0.82 1.16 -0.42 -0.43 0.02 -0.80 -0.85 113.55 113.05 2jna h SER 61 Ca 0.18 -0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.94 2jna h SER 61 Cb 0.38 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2jna h SER 61 CO 0.01 0.85 -0.30 -0.08 -1.14 0.00 0.00 176.83 176.17 2jna h GLU 62 N 1.36 0.94 -0.46 3.45 4.81 -0.53 -2.81 114.58 121.35 2jna h GLU 62 Ca 0.36 -0.45 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 2jna h GLU 62 Cb -0.14 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2jna h GLU 62 CO -0.08 1.11 -0.08 -0.07 -0.73 0.00 0.00 179.01 179.16 2jna h LEU 63 N 0.77 0.80 -0.90 1.64 3.38 -0.06 -1.31 115.31 119.62 2jna h LEU 63 Ca 0.08 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2jna h LEU 63 Cb 0.88 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2jna h LEU 63 CO 0.08 0.91 0.30 0.00 0.09 0.00 0.00 178.44 179.83 2jna h ALA 64 N 1.16 1.13 -0.29 1.53 0.00 -1.10 -0.79 119.26 120.90 2jna h ALA 64 Ca 0.13 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2jna h ALA 64 Cb 0.57 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2jna h ALA 64 CO 0.03 0.63 -0.28 0.22 0.00 0.00 0.00 179.25 179.85 2jna h ASP 65 N 1.08 0.60 0.27 0.00 3.58 -1.21 0.26 116.42 121.00 2jna h ASP 65 Ca 0.25 -0.22 -0.12 0.00 0.42 0.00 0.00 57.03 57.35 2jna h ASP 65 Cb 0.19 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2jna h ASP 65 CO -0.02 0.86 -0.48 0.00 -2.88 0.00 0.00 179.24 176.71 2jna h ALA 66 N 1.18 1.00 0.00 -0.78 0.00 -0.67 -3.14 119.26 116.86 2jna h ALA 66 Ca 0.07 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 2jna h ALA 66 Cb 0.75 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2jna h ALA 66 CO 0.06 0.65 -1.24 0.87 0.00 0.00 0.00 179.25 179.58 2jna h LYS 67 N 0.20 0.00 -0.31 0.00 1.79 -1.01 -3.49 116.57 113.76 2jna h LYS 67 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2jna h LYS 67 Cb 0.93 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 2jna h LYS 67 CO 0.08 0.41 0.00 0.41 -1.08 0.00 0.00 179.45 179.27 2jna n GLY 68 N 1.38 0.79 0.32 3.86 0.00 -0.06 -5.02 105.19 106.46 2jna n GLY 68 Ca -0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 2jna n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jna n GLY 69 N -0.16 4.14 0.00 -0.02 0.00 -0.39 -4.91 105.19 103.86 2jna n GLY 69 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.81 2jna n GLY 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jna n LYS 70 N -0.11 1.31 -4.31 1.61 4.81 -0.74 -4.66 118.16 116.07 2jna n LYS 70 Ca -0.02 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.26 2jna n LYS 70 Cb 0.06 -0.92 -0.10 0.00 0.02 0.00 0.00 35.03 34.09 2jna n LYS 70 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2jna s TYR 71 N -1.84 1.50 -0.13 5.64 2.02 -0.64 -4.99 117.35 118.91 2jna s TYR 71 Ca 0.00 -1.01 -0.08 0.00 -0.37 0.00 0.00 57.07 55.61 2jna s TYR 71 Cb 0.00 -0.88 0.05 0.00 -0.40 0.00 0.00 41.96 40.73 2jna s TYR 71 CO 0.00 -0.15 0.33 1.52 -1.57 0.00 0.00 175.55 175.67 2jna s TYR 72 N -3.55 -0.45 -0.38 2.71 -0.85 -1.26 -0.88 117.35 112.69 2jna s TYR 72 Ca 0.30 1.01 -0.06 0.00 -0.52 0.00 0.00 57.07 57.80 2jna s TYR 72 Cb 0.07 0.15 0.07 0.00 0.38 0.00 0.00 41.96 42.63 2jna s TYR 72 CO 0.09 -0.27 0.18 -1.58 -1.52 0.00 0.00 175.55 172.45 2jna s HIS 73 N 1.18 3.36 0.15 -3.49 2.46 0.75 -4.83 115.29 114.87 2jna s HIS 73 Ca -0.08 -1.74 -0.31 0.00 0.47 0.00 0.00 55.06 53.40 2jna s HIS 73 Cb -0.08 -2.76 -0.09 0.00 -0.13 0.00 0.00 32.58 29.52 2jna s HIS 73 CO -0.09 -0.84 1.42 0.42 -2.47 0.00 0.00 174.74 173.18 2jna s ILE 74 N 1.34 3.09 -0.11 0.89 1.01 -1.26 -0.97 121.20 125.18 2jna s ILE 74 Ca 0.02 0.80 0.06 0.00 0.00 0.00 0.00 60.65 61.53 2jna s ILE 74 Cb -0.22 -3.51 -0.09 0.00 0.01 0.00 0.00 42.46 38.65 2jna s ILE 74 CO 0.00 0.07 0.19 2.30 0.00 0.00 0.00 174.94 177.50 2jna n ILE 75 N 3.68 0.00 -3.76 2.92 -5.35 0.15 -4.92 119.36 112.08 2jna n ILE 75 Ca 0.11 -0.22 -0.13 0.00 -0.27 0.00 0.00 62.75 62.24 2jna n ILE 75 Cb 0.41 0.60 -0.12 0.00 -1.74 0.00 0.00 39.64 38.79 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 -2.12 -0.70 -0.29 -1.28 0.00 -0.90 -4.97 121.76 111.50 2jna s ALA 76 Ca -0.01 0.90 0.02 0.00 0.00 0.00 0.00 51.96 52.87 2jna s ALA 76 Cb 0.04 -0.54 0.18 0.00 0.00 0.00 0.00 23.12 22.80 2jna s ALA 76 CO 0.26 -0.16 0.51 0.00 0.00 0.00 0.00 175.76 176.37 2jna s ALA 77 N 0.46 -1.84 0.00 0.00 0.00 -1.26 0.06 121.76 119.18 2jna s ALA 77 Ca -0.03 0.96 -0.02 0.00 0.00 0.00 0.00 51.96 52.88 2jna s ALA 77 Cb -0.04 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.86 2jna s ALA 77 CO -0.02 -1.62 0.03 -0.98 0.00 0.00 0.00 175.76 173.17 2jna s ARG 78 N 2.71 0.24 -0.13 0.00 3.03 0.39 -5.00 118.95 120.19 2jna s ARG 78 Ca 0.13 -0.30 -0.27 0.00 2.03 0.00 0.00 55.73 57.31 2jna s ARG 78 Cb -0.13 0.09 -0.01 0.00 -1.03 0.00 0.00 34.95 33.87 2jna s ARG 78 CO -0.25 -0.04 0.92 -1.21 -1.13 0.00 0.00 175.30 173.59 2jna s GLU 79 N -0.85 4.37 -0.86 3.89 2.02 -1.26 -1.28 118.70 124.73 2jna s GLU 79 Ca -0.09 1.21 -0.02 0.00 0.02 0.00 0.00 54.97 56.09 2jna s GLU 79 Cb -0.06 -3.55 0.35 0.00 0.10 0.00 0.00 34.13 30.97 2jna s GLU 79 CO -0.00 -0.30 2.01 1.58 0.02 0.00 0.00 175.26 178.57 2jna n HIS 80 N 5.03 2.97 -0.23 1.61 -0.00 0.20 -4.94 115.22 119.86 2jna n HIS 80 Ca 0.06 -2.34 0.00 0.00 -0.00 0.00 0.00 57.72 55.44 2jna n HIS 80 Cb 0.49 -1.18 0.00 0.00 -0.00 0.00 0.00 29.99 29.30 2jna n HIS 80 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jna n GLY 81 N -0.51 0.51 0.00 1.57 0.00 -1.26 -3.40 105.19 102.10 2jna n GLY 81 Ca 0.53 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 45.69 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 8.32 0.98 -3.94 1.61 -0.04 -1.26 -4.72 135.00 135.95 2jna n PRO 82 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 2jna n PRO 82 Cb 0.00 -1.20 -0.13 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.41 4.74 -0.23 3.54 0.01 -1.22 -0.86 114.94 119.51 2jna s ASN 83 Ca 0.19 -0.26 -0.17 0.00 -0.71 0.00 0.00 52.86 51.91 2jna s ASN 83 Cb 0.09 -1.82 -0.03 0.00 0.41 0.00 0.00 41.25 39.89 2jna s ASN 83 CO 0.14 0.01 0.46 0.12 -1.51 0.00 0.00 177.10 176.32 2jna s PHE 84 N 1.32 3.32 -0.26 2.20 5.36 -0.73 0.58 117.98 129.77 2jna s PHE 84 Ca 0.04 0.63 -0.04 0.00 -0.96 0.00 0.00 56.93 56.60 2jna s PHE 84 Cb -0.15 -2.62 0.02 0.00 -0.34 0.00 0.00 43.02 39.93 2jna s PHE 84 CO 0.01 -0.14 -0.01 -1.21 -1.46 0.00 0.00 175.22 172.41 2jna s GLU 85 N 1.78 2.96 -0.03 10.12 0.41 -0.41 -2.68 118.70 130.86 2jna s GLU 85 Ca 0.20 -0.91 0.02 0.00 -0.41 0.00 0.00 54.97 53.87 2jna s GLU 85 Cb -0.15 -3.14 0.01 0.00 -1.78 0.00 0.00 34.13 29.07 2jna s GLU 85 CO 0.09 -0.41 -0.09 0.00 -0.49 0.00 0.00 175.26 174.37 2jna s ALA 86 N 1.40 0.86 -0.19 5.21 0.00 -0.21 -0.46 121.76 128.36 2jna s ALA 86 Ca 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 2jna s ALA 86 Cb -0.17 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.60 2jna s ALA 86 CO -0.02 0.12 -0.10 0.08 0.00 0.00 0.00 175.76 175.84 2jna s VAL 87 N 0.31 2.97 -0.03 0.00 1.01 0.11 0.13 120.40 124.90 2jna s VAL 87 Ca -0.05 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.34 2jna s VAL 87 Cb -0.10 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 2jna s VAL 87 CO 0.01 0.47 -0.19 0.00 0.00 0.00 0.00 175.10 175.39 2jna s ALA 88 N 1.22 1.61 -0.32 5.51 0.00 0.02 -0.67 121.76 129.13 2jna s ALA 88 Ca 0.02 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 2jna s ALA 88 Cb -0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 2jna s ALA 88 CO -0.04 0.35 0.48 -1.21 0.00 0.00 0.00 175.76 175.34 2jna s GLU 89 N -0.26 3.78 -0.14 0.00 0.41 -0.14 -1.18 118.70 121.17 2jna s GLU 89 Ca 0.03 -0.05 -0.24 0.00 -0.41 0.00 0.00 54.97 54.31 2jna s GLU 89 Cb -0.09 -3.75 -0.03 0.00 -1.78 0.00 0.00 34.13 28.48 2jna s GLU 89 CO 0.01 -0.51 0.74 0.08 -0.49 0.00 0.00 175.26 175.08 2jna s VAL 90 N 2.29 4.98 0.19 2.63 1.01 -0.12 -0.17 120.40 131.20 2jna s VAL 90 Ca 0.18 1.46 0.09 0.00 0.00 0.00 0.00 61.98 63.71 2jna s VAL 90 Cb -0.16 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 2jna s VAL 90 CO 0.12 0.13 -0.19 -0.31 0.00 0.00 0.00 175.10 174.85 2jna s TYR 91 N 1.58 1.97 0.45 5.22 1.51 -0.06 -0.28 117.35 127.74 2jna s TYR 91 Ca 0.36 -0.44 0.07 0.00 -1.01 0.00 0.00 57.07 56.04 2jna s TYR 91 Cb -0.17 -0.95 -0.01 0.00 -0.11 0.00 0.00 41.96 40.72 2jna s TYR 91 CO 0.14 0.43 0.32 1.21 -1.11 0.00 0.00 175.55 176.54 2jna s ASN 92 N -2.90 4.71 0.45 2.29 3.84 -0.61 -1.62 114.94 121.09 2jna s ASN 92 Ca 0.20 -1.01 0.11 0.00 0.21 0.00 0.00 52.86 52.37 2jna s ASN 92 Cb -0.05 -0.23 0.99 0.00 -0.55 0.00 0.00 41.25 41.41 2jna s ASN 92 CO 0.09 -0.76 2.05 -0.78 -2.79 0.00 0.00 177.10 174.91 2jna h ASP 93 N 1.08 0.22 0.00 -4.21 1.82 -1.94 -3.38 116.42 110.01 2jna h ASP 93 Ca -0.40 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 2jna h ASP 93 Cb 1.27 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.23 2jna h ASP 93 CO 0.62 0.22 0.00 0.00 -1.61 0.00 0.00 179.24 178.47 2jna n ALA 94 N -2.50 0.00 -0.01 -0.78 0.00 -1.26 -4.42 120.51 111.53 2jna n ALA 94 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2jna n ALA 94 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.00 0.09 -2.64 0.00 -1.04 -1.26 -4.94 114.28 102.49 2jna n THR 95 Ca 0.00 -0.04 -0.11 0.00 -2.04 0.00 0.00 64.05 61.86 2jna n THR 95 Cb 0.00 -0.56 0.02 0.00 -1.82 0.00 0.00 70.33 67.97 2jna n THR 95 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2jna n LYS 96 N -2.54 -2.48 -3.93 -2.82 5.02 -1.26 -5.00 118.16 105.14 2jna n LYS 96 Ca -0.03 0.46 -0.30 0.00 -2.02 0.00 0.00 58.31 56.42 2jna n LYS 96 Cb 0.53 -4.38 -0.15 0.00 -0.02 0.00 0.00 35.03 31.01 2jna n LYS 96 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jna s LEU 97 N -3.61 4.06 0.00 -0.35 1.43 -1.26 -4.99 118.68 113.96 2jna s LEU 97 Ca 0.15 -2.25 0.00 0.00 -1.03 0.00 0.00 54.13 51.00 2jna s LEU 97 Cb -0.07 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.71 2jna s LEU 97 CO 0.19 -0.35 0.00 1.21 0.23 0.00 0.00 176.35 177.63 2jna n GLU 98 N 4.11 0.00 -3.72 1.70 0.00 -1.26 -5.07 120.64 116.40 2jna n GLU 98 Ca 0.03 0.04 -0.14 0.00 0.00 0.00 0.00 57.16 57.10 2jna n GLU 98 Cb 0.40 -0.39 -0.09 0.00 0.00 0.00 0.00 31.44 31.36 2jna n GLU 98 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2jna s HIS 99 N -0.64 -0.35 -1.33 4.31 3.76 -1.26 -5.07 115.29 114.72 2jna s HIS 99 Ca 0.00 0.71 -0.17 0.00 -0.15 0.00 0.00 55.06 55.45 2jna s HIS 99 Cb 0.00 0.16 0.06 0.00 1.11 0.00 0.00 32.58 33.92 2jna s HIS 99 CO 0.00 -0.36 1.83 1.58 -0.85 0.00 0.00 174.74 176.94 2jna n HIS 100 N 1.82 4.46 -3.64 1.40 -0.00 -1.26 -4.87 115.22 113.13 2jna n HIS 100 Ca -0.18 -2.86 -0.18 0.00 0.46 0.00 0.00 57.72 54.96 2jna n HIS 100 Cb 0.57 -2.62 -0.16 0.00 -0.12 0.00 0.00 29.99 27.65 2jna n HIS 100 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2jna s HIS 101 N 4.08 -0.14 -0.51 1.57 -3.43 -1.26 -5.11 115.29 110.49 2jna s HIS 101 Ca 0.53 0.45 -0.16 0.00 -0.80 0.00 0.00 55.06 55.07 2jna s HIS 101 Cb 0.06 -0.33 0.10 0.00 -1.43 0.00 0.00 32.58 30.97 2jna s HIS 101 CO 0.05 -0.33 0.48 -1.58 -2.00 0.00 0.00 174.74 171.36 2jna s HIS 102 N 2.27 3.21 -0.89 0.38 2.46 -1.26 -5.00 115.29 116.46 2jna s HIS 102 Ca 0.04 -1.04 -0.09 0.00 0.47 0.00 0.00 55.06 54.44 2jna s HIS 102 Cb -0.13 -3.52 0.23 0.00 -0.13 0.00 0.00 32.58 29.03 2jna s HIS 102 CO -0.07 -0.95 0.82 -1.58 -2.47 0.00 0.00 174.74 170.50 2jna s HIS 103 N 1.79 3.88 0.00 3.88 5.04 -1.26 -5.32 115.29 123.30 2jna s HIS 103 Ca 0.05 -2.50 0.00 0.00 -1.54 0.00 0.00 55.06 51.07 2jna s HIS 103 Cb -0.26 -3.62 0.00 0.00 0.04 0.00 0.00 32.58 28.74 2jna s HIS 103 CO 0.06 -0.91 0.00 1.58 -2.34 0.00 0.00 174.74 173.13