#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 0.96 -0.60 -1.09 0.41 -1.26 -5.06 118.70 112.06 2jmi s GLU 25 Ca 0.00 -1.21 0.02 0.00 -0.41 0.00 0.00 54.97 53.37 2jmi s GLU 25 Cb 0.00 -0.77 0.39 0.00 -1.78 0.00 0.00 34.13 31.97 2jmi s GLU 25 CO 0.00 0.14 1.46 0.39 -0.49 0.00 0.00 175.26 176.76 2jmi n GLU 26 N 0.53 3.17 -3.54 1.61 1.02 -1.26 -4.91 120.64 117.26 2jmi n GLU 26 Ca -0.16 -4.13 -0.01 0.00 -0.02 0.00 0.00 57.16 52.84 2jmi n GLU 26 Cb 0.57 -2.26 -0.05 0.00 -0.02 0.00 0.00 31.44 29.69 2jmi n GLU 26 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jmi s VAL 27 N -5.36 -0.49 0.00 2.62 1.01 -1.26 -3.70 120.40 113.22 2jmi s VAL 27 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2jmi s VAL 27 Cb 0.42 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.80 2jmi s VAL 27 CO -0.28 0.00 0.00 -1.22 0.00 0.00 0.00 175.10 173.60 2jmi n TYR 28 N 4.79 0.00 -0.89 5.22 4.01 0.46 -4.87 117.16 125.88 2jmi n TYR 28 Ca -0.13 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.26 2jmi n TYR 28 Cb 0.53 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.64 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 -3.33 0.00 -0.08 0.00 3.72 -1.26 -3.03 117.46 113.48 2jmi n PHE 30 Ca 0.01 -0.03 -0.09 0.00 -0.05 0.00 0.00 57.45 57.29 2jmi n PHE 30 Cb 0.61 -0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 39.05 2jmi n PHE 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jmi n ARG 32 N -4.59 0.00 -0.96 0.00 1.85 -1.17 -5.12 116.66 106.67 2jmi n ARG 32 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 2jmi n ARG 32 Cb 0.35 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.76 2jmi n ARG 32 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2jmi n ASN 33 N 0.00 0.74 -1.07 2.89 2.04 -1.26 -4.78 115.26 113.81 2jmi n ASN 33 Ca 0.00 -0.70 0.00 0.00 -0.44 0.00 0.00 54.58 53.44 2jmi n ASN 33 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 2jmi n ASN 33 CO 0.00 0.00 0.00 0.55 -0.44 0.00 0.00 177.26 177.37 2jmi n VAL 34 N -0.44 0.00 -1.69 3.53 3.14 -1.24 -0.40 118.33 121.22 2jmi n VAL 34 Ca 0.00 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.11 2jmi n VAL 34 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 2jmi n VAL 34 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2jmi s SER 35 N -0.29 4.44 0.25 6.55 0.15 -1.26 -4.78 113.70 118.76 2jmi s SER 35 Ca 0.00 0.38 -0.03 0.00 0.70 0.00 0.00 55.95 57.00 2jmi s SER 35 Cb 0.00 -2.53 0.30 0.00 -1.71 0.00 0.00 66.02 62.08 2jmi s SER 35 CO 0.00 -3.16 1.74 1.88 1.20 0.00 0.00 173.24 174.90 2jmi h TYR 36 N 15.42 0.87 0.00 3.44 0.05 -1.98 -3.47 116.97 131.30 2jmi h TYR 36 Ca -0.11 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.54 2jmi h TYR 36 Cb 1.12 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.63 2jmi h TYR 36 CO 1.08 0.81 0.00 0.41 -1.05 0.00 0.00 178.16 179.41 2jmi n GLY 37 N -0.59 0.24 3.49 3.88 0.00 -1.26 -5.10 105.19 105.85 2jmi n GLY 37 Ca 0.02 0.48 -0.57 0.00 0.00 0.00 0.00 46.02 45.95 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 0.67 -4.37 1.61 -0.02 -1.26 -4.92 135.00 126.72 2jmi n PRO 38 Ca 0.00 0.21 -0.20 0.00 -2.02 0.00 0.00 63.50 61.50 2jmi n PRO 38 Cb 0.00 -1.99 -0.09 0.00 -0.02 0.00 0.00 33.50 31.40 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 5.14 1.62 0.01 -0.52 -1.94 -1.26 -3.09 119.30 119.25 2jmi s MET 39 Ca 1.09 -1.92 -0.29 0.00 -1.71 0.00 0.00 55.69 52.87 2jmi s MET 39 Cb -1.17 -0.26 0.07 0.00 2.01 0.00 0.00 34.83 35.48 2jmi s MET 39 CO 0.62 -0.41 0.67 0.54 -0.01 0.00 0.00 175.02 176.43 2jmi s VAL 40 N -3.55 0.00 0.00 -6.03 0.11 -0.85 -4.85 120.40 105.23 2jmi s VAL 40 Ca 0.34 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.39 2jmi s VAL 40 Cb 0.05 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 2jmi s VAL 40 CO 0.16 0.00 0.12 0.00 -3.33 0.00 0.00 175.10 172.06 2jmi s ALA 41 N -1.98 3.74 -0.63 1.54 0.00 -1.26 -0.87 121.76 122.30 2jmi s ALA 41 Ca -0.07 -0.84 -0.28 0.00 0.00 0.00 0.00 51.96 50.77 2jmi s ALA 41 Cb -0.00 -1.69 -0.11 0.00 0.00 0.00 0.00 23.12 21.31 2jmi s ALA 41 CO 0.03 0.72 2.50 0.00 0.00 0.00 0.00 175.76 179.01 2jmi n ASP 43 N 14.20 5.17 -3.98 0.00 8.00 -1.11 -4.76 116.55 134.06 2jmi n ASP 43 Ca 0.46 -2.45 -0.24 0.00 0.71 0.00 0.00 54.79 53.27 2jmi n ASP 43 Cb 0.39 -1.38 -0.17 0.00 -0.02 0.00 0.00 41.12 39.94 2jmi n ASP 43 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2jmi s ASN 44 N 2.03 1.59 0.57 -2.24 2.47 -1.26 -4.90 114.94 113.20 2jmi s ASN 44 Ca 0.65 -0.26 0.40 0.00 0.42 0.00 0.00 52.86 54.07 2jmi s ASN 44 Cb 0.31 -0.73 1.46 0.00 -1.45 0.00 0.00 41.25 40.84 2jmi s ASN 44 CO -0.00 0.00 1.57 -0.65 -3.72 0.00 0.00 177.10 174.30 2jmi h PRO 45 N 7.09 0.00 0.00 0.43 0.11 -1.91 -3.29 132.00 134.44 2jmi h PRO 45 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2jmi h PRO 45 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2jmi h PRO 45 CO 0.47 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.26 2jmi n ALA 46 N -2.66 0.17 -2.79 -0.75 0.00 -1.26 -5.08 120.51 108.13 2jmi n ALA 46 Ca 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.73 2jmi n ALA 46 Cb 1.63 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 21.05 2jmi n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmi n PRO 48 N 1.88 -0.03 -4.62 0.00 -0.02 -1.26 -4.55 135.00 126.41 2jmi n PRO 48 Ca -0.24 1.22 -0.29 0.00 -2.02 0.00 0.00 63.50 62.17 2jmi n PRO 48 Cb 0.40 -2.50 -0.08 0.00 -0.02 0.00 0.00 33.50 31.30 2jmi n PRO 48 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2jmi s PHE 49 N -5.16 1.79 -0.03 6.00 0.08 -1.26 -5.08 117.98 114.33 2jmi s PHE 49 Ca -0.07 -1.20 0.19 0.00 0.12 0.00 0.00 56.93 55.98 2jmi s PHE 49 Cb 0.30 -1.32 0.34 0.00 -0.57 0.00 0.00 43.02 41.77 2jmi s PHE 49 CO 0.84 -0.13 1.14 0.39 -0.10 0.00 0.00 175.22 177.37 2jmi n GLU 50 N -1.07 0.23 -3.66 0.44 1.02 -1.26 -4.32 120.64 112.02 2jmi n GLU 50 Ca -0.11 -1.98 -0.07 0.00 -0.02 0.00 0.00 57.16 54.98 2jmi n GLU 50 Cb 0.66 -0.34 -0.08 0.00 -0.02 0.00 0.00 31.44 31.65 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 -0.48 -0.92 -0.01 -0.32 0.52 -1.26 -4.00 118.94 112.47 2jmi s TRP 51 Ca 0.28 1.71 -0.07 0.00 0.02 0.00 0.00 56.10 58.04 2jmi s TRP 51 Cb 0.31 0.42 0.00 0.00 -1.15 0.00 0.00 33.47 33.05 2jmi s TRP 51 CO -0.12 -0.52 0.14 -0.06 0.02 0.00 0.00 176.95 176.41 2jmi s PHE 52 N 2.64 0.01 0.25 -1.98 0.40 -0.05 -3.39 117.98 115.86 2jmi s PHE 52 Ca -0.03 -0.04 0.06 0.00 -0.60 0.00 0.00 56.93 56.32 2jmi s PHE 52 Cb -0.12 -0.03 -0.03 0.00 0.51 0.00 0.00 43.02 43.35 2jmi s PHE 52 CO -0.14 -0.24 0.32 -1.01 0.70 0.00 0.00 175.22 174.84 2jmi s HIS 53 N -1.09 3.33 -0.01 0.36 0.09 -1.26 -2.00 115.29 114.70 2jmi s HIS 53 Ca -0.12 -0.06 0.17 0.00 -0.00 0.00 0.00 55.06 55.06 2jmi s HIS 53 Cb -0.06 -1.54 0.38 0.00 -0.00 0.00 0.00 32.58 31.35 2jmi s HIS 53 CO 0.01 0.44 1.59 1.88 -0.00 0.00 0.00 174.74 178.66 2jmi h TYR 54 N 1.25 0.00 0.02 1.40 -1.99 -1.87 -0.10 116.97 115.68 2jmi h TYR 54 Ca -0.51 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.02 2jmi h TYR 54 Cb 1.23 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.95 2jmi h TYR 54 CO 0.48 0.43 -0.94 0.78 -0.00 0.00 0.00 178.16 178.91 2jmi h GLY 55 N 2.84 0.12 0.72 3.88 0.00 -1.90 -3.24 103.07 105.48 2jmi h GLY 55 Ca -0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 2jmi h GLY 55 CO 0.06 0.22 -0.33 0.00 0.00 0.00 0.00 176.54 176.49 2jmi n VAL 57 N -4.41 0.00 -3.37 0.00 0.24 -0.07 -4.96 118.33 105.76 2jmi n VAL 57 Ca -0.08 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.10 2jmi n VAL 57 Cb 0.50 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.78 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 -0.32 0.00 7.63 0.00 -1.25 -4.87 107.32 108.51 2jmi s GLY 58 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.18 2jmi s GLY 58 CO 0.00 2.64 0.00 1.47 0.00 0.00 0.00 173.10 177.21 2jmi n LEU 59 N 5.35 0.00 -3.69 0.66 -0.00 -1.26 -5.06 117.00 113.00 2jmi n LEU 59 Ca -0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.84 2jmi n LEU 59 Cb 0.49 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.78 2jmi n LEU 59 CO 0.04 0.00 -0.16 -1.59 -0.00 0.00 0.00 177.39 175.68 2jmi s LYS 60 N -1.94 0.14 -1.23 1.47 -2.85 -1.26 -4.84 119.74 109.22 2jmi s LYS 60 Ca 0.00 0.64 0.00 0.00 -1.00 0.00 0.00 55.97 55.61 2jmi s LYS 60 Cb 0.00 -0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.66 2jmi s LYS 60 CO 0.00 -0.25 0.00 0.94 0.10 0.00 0.00 175.35 176.14 2jmi n GLN 61 N 4.98 -1.53 -2.75 1.78 0.00 -1.26 -3.04 117.38 115.56 2jmi n GLN 61 Ca -0.12 0.79 -0.07 0.00 -0.00 0.00 0.00 57.00 57.61 2jmi n GLN 61 Cb 0.51 -5.02 0.01 0.00 0.00 0.00 0.00 30.24 25.74 2jmi n GLN 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jmi n ALA 62 N 0.81 -2.95 -1.25 1.69 0.00 -1.26 -4.82 120.51 112.72 2jmi n ALA 62 Ca -0.12 0.97 -0.36 0.00 0.00 0.00 0.00 53.44 53.93 2jmi n ALA 62 Cb 0.49 -3.26 0.07 0.00 0.00 0.00 0.00 19.45 16.75 2jmi n ALA 62 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2jmi n PRO 63 N -0.46 0.29 -2.50 0.00 -0.02 -1.17 -2.47 135.00 128.67 2jmi n PRO 63 Ca 0.10 0.14 -0.21 0.00 -2.02 0.00 0.00 63.50 61.51 2jmi n PRO 63 Cb 0.43 -1.83 -0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2jmi n PRO 63 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2jmi n LYS 64 N -0.76 -2.19 0.00 -0.52 3.00 -1.26 -3.87 118.16 112.56 2jmi n LYS 64 Ca 0.10 0.98 0.00 0.00 -0.00 0.00 0.00 58.31 59.39 2jmi n LYS 64 Cb 0.50 -5.67 0.00 0.00 0.00 0.00 0.00 35.03 29.86 2jmi n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jmi n GLY 65 N -1.08 0.41 3.80 3.14 0.00 -1.03 -4.73 105.19 105.69 2jmi n GLY 65 Ca -0.22 0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 4.26 0.18 1.61 1.02 -1.25 -4.78 119.74 120.79 2jmi s LYS 66 Ca 0.00 0.78 0.10 0.00 0.02 0.00 0.00 55.97 56.87 2jmi s LYS 66 Cb 0.00 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 2jmi s LYS 66 CO 0.00 0.57 -0.20 -0.46 -0.92 0.00 0.00 175.35 174.34 2jmi s TRP 67 N -0.90 2.02 -0.32 3.18 -0.11 -1.26 -4.73 118.94 116.82 2jmi s TRP 67 Ca 0.30 -0.42 -0.12 0.00 1.22 0.00 0.00 56.10 57.08 2jmi s TRP 67 Cb -0.20 -0.99 -0.03 0.00 -1.50 0.00 0.00 33.47 30.75 2jmi s TRP 67 CO 0.19 0.42 0.22 0.71 -4.62 0.00 0.00 176.95 173.88 2jmi s TYR 68 N -1.97 3.23 0.12 5.86 2.02 -1.26 -2.75 117.35 122.60 2jmi s TYR 68 Ca 0.19 -0.07 0.09 0.00 -0.37 0.00 0.00 57.07 56.90 2jmi s TYR 68 Cb -0.06 -2.44 0.42 0.00 -0.40 0.00 0.00 41.96 39.48 2jmi s TYR 68 CO 0.08 -0.28 0.45 0.00 -1.57 0.00 0.00 175.55 174.23 2jmi s SER 70 N -4.55 -0.34 0.59 0.00 0.15 -1.26 -4.86 113.70 103.44 2jmi s SER 70 Ca -0.02 -0.27 0.29 0.00 0.70 0.00 0.00 55.95 56.65 2jmi s SER 70 Cb 0.09 0.56 1.36 0.00 -1.71 0.00 0.00 66.02 66.32 2jmi s SER 70 CO 0.23 -0.99 1.75 0.11 1.20 0.00 0.00 173.24 175.54 2jmi h LYS 71 N 2.00 0.00 0.00 5.44 1.57 -2.01 0.11 116.57 123.69 2jmi h LYS 71 Ca -0.25 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 2jmi h LYS 71 Cb 1.26 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 2jmi h LYS 71 CO 0.29 0.00 -0.67 -0.44 -0.57 0.00 0.00 179.45 178.06 2jmi h ASP 72 N 0.00 0.00 -1.00 0.86 3.32 -1.94 -3.23 116.42 114.44 2jmi h ASP 72 Ca 0.30 -0.50 0.37 0.00 0.02 0.00 0.00 57.03 57.22 2jmi h ASP 72 Cb 1.66 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 41.08 2jmi h ASP 72 CO -0.00 1.13 0.61 0.00 -1.72 0.00 0.00 179.24 179.26 2jmi h LYS 74 N 0.00 -0.18 -0.81 0.00 3.64 -1.52 -2.65 116.57 115.05 2jmi h LYS 74 Ca 0.70 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 60.12 2jmi h LYS 74 Cb 2.11 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.92 2jmi h LYS 74 CO -0.46 0.27 0.53 1.49 -2.27 0.00 0.00 179.45 179.00 2jmi h GLU 75 N -0.87 0.98 -0.90 1.90 4.81 0.14 -1.38 114.58 119.27 2jmi h GLU 75 Ca -0.02 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2jmi h GLU 75 Cb 0.53 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 2jmi h GLU 75 CO 0.03 0.65 0.51 0.82 -0.73 0.00 0.00 179.01 180.29 2jmi h ILE 76 N 1.01 1.25 -0.54 2.32 2.04 0.22 0.18 117.51 123.99 2jmi h ILE 76 Ca 0.32 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 2jmi h ILE 76 Cb 0.01 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.09 2jmi h ILE 76 CO -0.09 0.28 0.19 0.00 0.00 0.00 0.00 178.15 178.53 2jmi h ALA 77 N 1.31 0.71 -0.22 1.87 0.00 -0.89 -2.99 119.26 119.05 2jmi h ALA 77 Ca 0.32 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2jmi h ALA 77 Cb -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2jmi h ALA 77 CO -0.05 0.35 0.06 -0.91 0.00 0.00 0.00 179.25 178.70 2jmi h ASN 78 N 0.75 0.33 -4.17 0.00 -0.26 -0.87 -3.47 115.58 107.89 2jmi h ASN 78 Ca 0.18 -0.22 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 2jmi h ASN 78 Cb 0.25 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 2jmi h ASN 78 CO -0.01 0.47 -0.76 1.67 -1.06 0.00 0.00 177.43 177.74 2jmi n GLN 79 N -4.76 -4.33 -1.89 0.81 -0.06 0.00 -4.88 117.38 102.27 2jmi n GLN 79 Ca -0.04 3.15 -0.41 0.00 -2.00 0.00 0.00 57.00 57.71 2jmi n GLN 79 Cb 0.17 -3.35 -0.01 0.00 -4.06 0.00 0.00 30.24 22.99 2jmi n GLN 79 CO 0.00 0.00 0.00 0.50 -0.20 0.00 0.00 177.06 177.36 2jmi s ARG 80 N -1.68 4.18 0.33 3.69 6.06 -1.26 -4.70 118.95 125.57 2jmi s ARG 80 Ca 0.00 2.48 0.00 0.00 -2.50 0.00 0.00 55.73 55.71 2jmi s ARG 80 Cb 0.00 -3.00 0.00 0.00 0.06 0.00 0.00 34.95 32.01 2jmi s ARG 80 CO 0.00 -0.44 0.00 0.45 -2.50 0.00 0.00 175.30 172.81 2jmi n SER 81 N 0.61 -5.33 -0.18 -2.12 2.88 -1.26 -4.66 113.62 103.56 2jmi n SER 81 Ca 0.01 0.92 0.02 0.00 -1.33 0.00 0.00 58.87 58.48 2jmi n SER 81 Cb 0.40 -2.56 0.28 0.00 -0.75 0.00 0.00 64.21 61.59 2jmi n SER 81 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2jmi h LYS 82 N 0.59 0.89 0.00 -1.46 3.64 -1.94 -3.53 116.57 114.76 2jmi h LYS 82 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2jmi h LYS 82 Cb 0.26 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2jmi h LYS 82 CO 0.00 0.59 0.00 -1.13 -2.27 0.00 0.00 179.45 176.64