#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmi s GLU 25 N 0.00 1.55 -0.12 3.69 2.02 -1.26 -4.67 118.70 119.91 2jmi s GLU 25 Ca 0.00 -1.66 -0.04 0.00 0.02 0.00 0.00 54.97 53.29 2jmi s GLU 25 Cb 0.00 -3.01 0.06 0.00 0.10 0.00 0.00 34.13 31.28 2jmi s GLU 25 CO 0.00 -0.86 0.19 -1.21 0.02 0.00 0.00 175.26 173.40 2jmi s GLU 26 N 1.03 0.08 0.11 1.61 2.02 -1.26 -4.91 118.70 117.38 2jmi s GLU 26 Ca 0.06 0.49 -0.31 0.00 0.02 0.00 0.00 54.97 55.24 2jmi s GLU 26 Cb -0.19 -0.50 -0.09 0.00 0.10 0.00 0.00 34.13 33.45 2jmi s GLU 26 CO -0.09 -0.39 1.64 0.08 0.02 0.00 0.00 175.26 176.52 2jmi s VAL 27 N 2.31 2.83 0.00 2.63 1.01 -1.26 -0.27 120.40 127.65 2jmi s VAL 27 Ca 0.04 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2jmi s VAL 27 Cb -0.13 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2jmi s VAL 27 CO -0.08 0.01 0.00 -1.22 0.00 0.00 0.00 175.10 173.82 2jmi n TYR 28 N 4.97 0.00 -0.76 5.22 4.01 -1.18 -4.90 117.16 124.53 2jmi n TYR 28 Ca 0.15 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.56 2jmi n TYR 28 Cb 0.39 0.00 0.14 0.00 -0.31 0.00 0.00 39.34 39.56 2jmi n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jmi n PHE 30 N -3.91 0.00 0.28 0.00 7.35 -1.26 -1.31 117.46 118.61 2jmi n PHE 30 Ca 0.03 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.84 2jmi n PHE 30 Cb 0.59 -0.07 0.79 0.00 0.35 0.00 0.00 39.48 41.14 2jmi n PHE 30 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jmi n ARG 32 N -4.03 -0.67 -4.27 0.00 1.74 -0.43 -5.02 116.66 103.98 2jmi n ARG 32 Ca -0.03 0.62 -0.18 0.00 -0.77 0.00 0.00 57.85 57.49 2jmi n ARG 32 Cb 0.12 -4.41 -0.11 0.00 -1.02 0.00 0.00 32.46 27.04 2jmi n ARG 32 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2jmi s ASN 33 N -2.63 2.17 1.00 0.55 6.03 -1.26 -4.94 114.94 115.87 2jmi s ASN 33 Ca 0.00 -0.88 -0.25 0.00 -1.03 0.00 0.00 52.86 50.70 2jmi s ASN 33 Cb 0.00 -0.09 -0.17 0.00 -3.03 0.00 0.00 41.25 37.96 2jmi s ASN 33 CO 0.00 -0.16 -1.27 0.52 -2.03 0.00 0.00 177.10 174.16 2jmi n VAL 34 N 0.24 0.00 -1.96 3.54 0.31 -1.26 -3.07 118.33 116.13 2jmi n VAL 34 Ca -0.13 -0.15 -0.41 0.00 -0.01 0.00 0.00 64.34 63.64 2jmi n VAL 34 Cb 0.58 -0.04 -0.00 0.00 -0.91 0.00 0.00 33.84 33.47 2jmi n VAL 34 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2jmi n SER 35 N 3.19 6.36 0.00 4.52 2.88 0.63 -4.56 113.62 126.64 2jmi n SER 35 Ca -0.02 -2.98 0.00 0.00 -1.33 0.00 0.00 58.87 54.54 2jmi n SER 35 Cb 0.70 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 2jmi n SER 35 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2jmi n TYR 36 N 3.57 0.00 0.00 0.66 4.02 -1.26 -4.89 117.16 119.26 2jmi n TYR 36 Ca 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.44 2jmi n TYR 36 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 2jmi n TYR 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jmi n GLY 37 N 0.00 0.55 3.54 2.72 0.00 -1.26 -5.03 105.19 105.71 2jmi n GLY 37 Ca 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 2jmi n GLY 37 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jmi n PRO 38 N 0.00 0.37 -4.66 1.61 -0.02 -1.26 -4.85 135.00 126.19 2jmi n PRO 38 Ca 0.00 -0.56 -0.30 0.00 -2.02 0.00 0.00 63.50 60.63 2jmi n PRO 38 Cb 0.00 -2.79 -0.08 0.00 -0.02 0.00 0.00 33.50 30.61 2jmi n PRO 38 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2jmi s MET 39 N 8.28 2.07 0.01 -0.52 -1.94 -1.26 -2.34 119.30 123.60 2jmi s MET 39 Ca 1.06 -2.29 -0.27 0.00 -1.71 0.00 0.00 55.69 52.49 2jmi s MET 39 Cb -0.38 -1.20 0.06 0.00 2.01 0.00 0.00 34.83 35.33 2jmi s MET 39 CO 0.25 -0.37 0.61 0.54 -0.01 0.00 0.00 175.02 176.03 2jmi s VAL 40 N -2.99 0.01 -0.14 -6.03 0.11 0.18 -4.86 120.40 106.68 2jmi s VAL 40 Ca 0.15 -0.08 -0.08 0.00 -2.93 0.00 0.00 61.98 59.04 2jmi s VAL 40 Cb 0.03 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 2jmi s VAL 40 CO 0.08 -0.05 0.14 0.00 -3.33 0.00 0.00 175.10 171.94 2jmi s ALA 41 N -1.91 3.83 -0.70 1.54 0.00 -1.26 0.39 121.76 123.66 2jmi s ALA 41 Ca -0.08 -0.65 -0.28 0.00 0.00 0.00 0.00 51.96 50.94 2jmi s ALA 41 Cb -0.01 -2.01 -0.13 0.00 0.00 0.00 0.00 23.12 20.97 2jmi s ALA 41 CO 0.03 0.51 2.53 0.00 0.00 0.00 0.00 175.76 178.83 2jmi n ASP 43 N 13.44 5.53 -3.90 0.00 2.03 -1.10 -4.76 116.55 127.78 2jmi n ASP 43 Ca 0.49 -2.61 -0.27 0.00 0.52 0.00 0.00 54.79 52.93 2jmi n ASP 43 Cb 0.32 -1.30 -0.17 0.00 -0.72 0.00 0.00 41.12 39.25 2jmi n ASP 43 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2jmi s ASN 44 N 1.64 2.16 0.64 1.67 3.04 -1.26 -4.94 114.94 117.89 2jmi s ASN 44 Ca 0.48 -0.30 0.13 0.00 0.04 0.00 0.00 52.86 53.21 2jmi s ASN 44 Cb 0.25 -0.83 0.51 0.00 -1.54 0.00 0.00 41.25 39.64 2jmi s ASN 44 CO -0.03 -0.12 1.22 -0.65 -3.04 0.00 0.00 177.10 174.47 2jmi h PRO 45 N 8.17 0.00 0.00 0.43 0.11 -1.90 -2.56 132.00 136.25 2jmi h PRO 45 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2jmi h PRO 45 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jmi h PRO 45 CO 0.40 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.19 2jmi n ALA 46 N -1.83 0.00 -0.04 -0.75 0.00 -1.26 -5.03 120.51 111.60 2jmi n ALA 46 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2jmi n ALA 46 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.57 2jmi n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmi h PRO 48 N 1.79 0.00 0.00 0.00 0.11 -1.96 -3.41 132.00 128.53 2jmi h PRO 48 Ca 0.00 -0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.84 2jmi h PRO 48 Cb 0.00 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 2jmi h PRO 48 CO 0.00 0.00 -0.22 1.19 -0.21 0.00 0.00 178.00 178.76 2jmi n PHE 49 N -4.07 0.15 -2.53 0.65 3.72 -1.26 -5.09 117.46 109.03 2jmi n PHE 49 Ca 0.43 -1.24 0.00 0.00 -0.05 0.00 0.00 57.45 56.59 2jmi n PHE 49 Cb 1.91 -0.03 0.03 0.00 -0.94 0.00 0.00 39.48 40.45 2jmi n PHE 49 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2jmi n GLU 50 N -0.47 0.64 -3.45 -1.08 1.02 -1.26 -4.33 120.64 111.72 2jmi n GLU 50 Ca -0.04 -2.16 -0.01 0.00 -0.02 0.00 0.00 57.16 54.93 2jmi n GLU 50 Cb 0.30 -0.31 -0.04 0.00 -0.02 0.00 0.00 31.44 31.36 2jmi n GLU 50 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jmi s TRP 51 N -1.05 -1.34 -0.03 -0.32 0.52 -1.26 -3.89 118.94 111.58 2jmi s TRP 51 Ca 0.23 1.90 -0.12 0.00 0.02 0.00 0.00 56.10 58.13 2jmi s TRP 51 Cb 0.31 0.60 0.02 0.00 -1.15 0.00 0.00 33.47 33.25 2jmi s TRP 51 CO -0.10 -0.73 0.27 -0.06 0.02 0.00 0.00 176.95 176.35 2jmi s PHE 52 N 2.82 -0.16 0.19 -1.98 0.40 0.16 -0.94 117.98 118.48 2jmi s PHE 52 Ca 0.06 0.28 0.07 0.00 -0.60 0.00 0.00 56.93 56.73 2jmi s PHE 52 Cb -0.13 0.07 -0.04 0.00 0.51 0.00 0.00 43.02 43.43 2jmi s PHE 52 CO -0.19 -0.33 0.08 -3.38 0.70 0.00 0.00 175.22 172.10 2jmi s HIS 53 N -1.08 2.98 -0.36 0.36 -3.43 -1.26 0.50 115.29 113.00 2jmi s HIS 53 Ca -0.11 -0.10 0.18 0.00 -0.80 0.00 0.00 55.06 54.23 2jmi s HIS 53 Cb -0.05 -1.41 0.96 0.00 -1.43 0.00 0.00 32.58 30.65 2jmi s HIS 53 CO 0.03 0.53 1.55 0.66 -2.00 0.00 0.00 174.74 175.51 2jmi n TYR 54 N -0.42 0.61 0.01 0.38 4.01 -0.99 -0.20 117.16 120.56 2jmi n TYR 54 Ca -0.09 0.31 -0.13 0.00 -0.16 0.00 0.00 57.90 57.83 2jmi n TYR 54 Cb 0.56 -1.00 -0.14 0.00 -0.31 0.00 0.00 39.34 38.45 2jmi n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2jmi h GLY 55 N 0.16 0.14 0.76 2.72 0.00 -1.92 -3.30 103.07 101.64 2jmi h GLY 55 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 2jmi h GLY 55 CO 0.00 0.32 0.00 0.00 0.00 0.00 0.00 176.54 176.86 2jmi n VAL 57 N -4.97 0.00 -3.36 0.00 0.24 0.38 -4.94 118.33 105.68 2jmi n VAL 57 Ca -0.08 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.09 2jmi n VAL 57 Cb 0.14 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.43 2jmi n VAL 57 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2jmi s GLY 58 N 0.00 -0.33 -0.30 7.63 0.00 -1.24 -4.81 107.32 108.26 2jmi s GLY 58 Ca 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 44.72 44.49 2jmi s GLY 58 CO 0.00 2.81 1.22 0.48 0.00 0.00 0.00 173.10 177.61 2jmi s LEU 59 N 2.44 -0.14 -0.72 0.66 0.05 -1.26 -5.10 118.68 114.62 2jmi s LEU 59 Ca 0.10 0.13 -0.26 0.00 0.05 0.00 0.00 54.13 54.14 2jmi s LEU 59 Cb -0.13 1.13 -0.01 0.00 -2.05 0.00 0.00 46.19 45.14 2jmi s LEU 59 CO -0.31 -0.03 1.69 -0.54 -0.55 0.00 0.00 176.35 176.61 2jmi s LYS 60 N 2.62 2.83 0.07 1.48 1.02 -1.26 -4.47 119.74 122.03 2jmi s LYS 60 Ca -0.05 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.07 2jmi s LYS 60 Cb -0.06 -4.50 0.00 0.00 -0.52 0.00 0.00 37.83 32.76 2jmi s LYS 60 CO -0.11 -2.63 0.00 1.04 -0.92 0.00 0.00 175.35 172.72 2jmi n GLN 61 N 9.17 -2.28 -1.33 1.68 1.13 -1.26 -4.71 117.38 119.78 2jmi n GLN 61 Ca 0.19 1.92 -0.52 0.00 -1.94 0.00 0.00 57.00 56.65 2jmi n GLN 61 Cb 0.50 -1.89 -0.13 0.00 0.11 0.00 0.00 30.24 28.84 2jmi n GLN 61 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jmi n ALA 62 N 0.78 0.24 -1.72 -1.58 0.00 -1.26 -4.87 120.51 112.11 2jmi n ALA 62 Ca 0.00 0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.12 2jmi n ALA 62 Cb 0.00 -2.12 -0.01 0.00 0.00 0.00 0.00 19.45 17.32 2jmi n ALA 62 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jmi s PRO 63 N 7.05 3.51 -1.59 0.00 0.04 -1.26 -3.51 135.00 139.24 2jmi s PRO 63 Ca 1.24 1.26 0.00 0.00 0.04 0.00 0.00 61.00 63.54 2jmi s PRO 63 Cb -1.39 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 31.09 2jmi s PRO 63 CO 0.59 -0.66 0.00 1.63 0.04 0.00 0.00 177.00 178.60 2jmi n LYS 64 N -1.64 -1.77 0.00 4.56 5.02 -1.26 -2.90 118.16 120.17 2jmi n LYS 64 Ca 0.09 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 2jmi n LYS 64 Cb 0.53 -5.45 0.00 0.00 -0.02 0.00 0.00 35.03 30.08 2jmi n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jmi n GLY 65 N -0.77 1.15 3.61 0.72 0.00 -1.23 -4.84 105.19 103.82 2jmi n GLY 65 Ca -0.20 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2jmi n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmi s LYS 66 N 0.00 2.65 0.25 1.61 -0.14 -1.14 -4.89 119.74 118.08 2jmi s LYS 66 Ca 0.00 -0.65 0.07 0.00 -1.36 0.00 0.00 55.97 54.03 2jmi s LYS 66 Cb 0.00 -2.56 -0.05 0.00 -1.68 0.00 0.00 37.83 33.54 2jmi s LYS 66 CO 0.00 0.62 -0.10 -0.46 -0.76 0.00 0.00 175.35 174.66 2jmi s TRP 67 N -0.96 1.85 -0.35 3.18 -0.11 -1.26 -4.52 118.94 116.77 2jmi s TRP 67 Ca 0.16 -0.64 -0.11 0.00 1.22 0.00 0.00 56.10 56.73 2jmi s TRP 67 Cb -0.11 -0.97 0.01 0.00 -1.50 0.00 0.00 33.47 30.90 2jmi s TRP 67 CO 0.06 0.32 0.20 0.71 -4.62 0.00 0.00 176.95 173.62 2jmi s TYR 68 N -2.99 3.22 0.03 5.86 2.02 -1.26 -2.73 117.35 121.50 2jmi s TYR 68 Ca 0.27 -0.69 0.02 0.00 -0.37 0.00 0.00 57.07 56.30 2jmi s TYR 68 Cb 0.02 -2.43 0.10 0.00 -0.40 0.00 0.00 41.96 39.25 2jmi s TYR 68 CO 0.10 -0.54 0.10 0.00 -1.57 0.00 0.00 175.55 173.65 2jmi s SER 70 N -4.57 -0.35 0.64 0.00 0.15 -1.26 -4.77 113.70 103.55 2jmi s SER 70 Ca -0.00 -0.26 0.26 0.00 0.70 0.00 0.00 55.95 56.65 2jmi s SER 70 Cb 0.02 0.56 1.40 0.00 -1.71 0.00 0.00 66.02 66.29 2jmi s SER 70 CO 0.06 -0.98 1.80 0.11 1.20 0.00 0.00 173.24 175.42 2jmi h LYS 71 N 2.00 0.00 0.00 5.44 1.57 -2.00 0.10 116.57 123.68 2jmi h LYS 71 Ca -0.25 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.31 2jmi h LYS 71 Cb 1.26 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 2jmi h LYS 71 CO 0.30 0.00 -1.27 -0.25 -0.57 0.00 0.00 179.45 177.66 2jmi n ASP 72 N -3.07 1.86 -0.35 0.86 8.00 -1.26 -3.58 116.55 119.01 2jmi n ASP 72 Ca 0.02 0.44 0.31 0.00 0.71 0.00 0.00 54.79 56.27 2jmi n ASP 72 Cb 0.55 -0.94 0.54 0.00 -0.02 0.00 0.00 41.12 41.25 2jmi n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jmi h LYS 74 N 0.00 0.42 -0.15 0.00 2.10 -1.58 -3.05 116.57 114.31 2jmi h LYS 74 Ca 0.73 -0.62 -0.11 0.00 -2.00 0.00 0.00 60.65 58.66 2jmi h LYS 74 Cb 2.19 0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 33.73 2jmi h LYS 74 CO -0.50 1.27 -0.37 0.93 -2.00 0.00 0.00 179.45 178.78 2jmi h GLU 75 N -0.12 0.33 -0.01 0.07 4.39 0.20 -2.28 114.58 117.16 2jmi h GLU 75 Ca -0.15 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.35 2jmi h GLU 75 Cb 1.70 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.34 2jmi h GLU 75 CO 0.18 0.66 -0.24 0.82 -1.16 0.00 0.00 179.01 179.27 2jmi h ILE 76 N 0.28 1.18 -0.22 3.13 2.04 0.18 -1.80 117.51 122.30 2jmi h ILE 76 Ca 0.03 -0.85 -0.14 0.00 1.00 0.00 0.00 64.86 64.90 2jmi h ILE 76 Cb 0.79 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 2jmi h ILE 76 CO 0.06 0.25 -0.45 0.00 0.00 0.00 0.00 178.15 178.01 2jmi h ALA 77 N 1.74 0.81 -0.44 1.87 0.00 -1.30 -2.88 119.26 119.06 2jmi h ALA 77 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 2jmi h ALA 77 Cb 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2jmi h ALA 77 CO 0.03 0.66 0.10 -0.91 0.00 0.00 0.00 179.25 179.13 2jmi h ASN 78 N 0.44 0.61 -3.01 0.00 2.35 -1.07 -3.40 115.58 111.50 2jmi h ASN 78 Ca 0.03 -0.09 -0.57 0.00 -0.55 0.00 0.00 56.30 55.11 2jmi h ASN 78 Cb 0.96 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 39.13 2jmi h ASN 78 CO 0.09 0.61 1.16 -1.58 -1.65 0.00 0.00 177.43 176.05 2jmi s GLN 79 N -5.16 3.46 0.00 0.81 2.00 -1.03 -4.55 119.66 115.18 2jmi s GLN 79 Ca -0.09 1.11 0.00 0.00 -2.00 0.00 0.00 55.36 54.38 2jmi s GLN 79 Cb 0.16 -4.10 0.00 0.00 0.80 0.00 0.00 33.01 29.87 2jmi s GLN 79 CO 0.77 -1.71 0.00 -2.13 -0.50 0.00 0.00 175.29 171.72 2jmi n ARG 80 N 8.26 0.00 -0.99 1.67 3.00 -1.26 -4.98 116.66 122.35 2jmi n ARG 80 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 2jmi n ARG 80 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.94 2jmi n ARG 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2jmi n SER 81 N -0.32 0.00 0.06 6.15 2.88 -1.26 -4.70 113.62 116.44 2jmi n SER 81 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 2jmi n SER 81 Cb 0.00 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 63.84 2jmi n SER 81 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2jmi h LYS 82 N 0.38 0.38 -0.01 -1.46 1.57 -1.99 -3.56 116.57 111.88 2jmi h LYS 82 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2jmi h LYS 82 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2jmi h LYS 82 CO 0.00 0.40 0.00 0.45 -0.57 0.00 0.00 179.45 179.73