#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmj s GLU 25 N 0.00 0.48 -0.06 -1.09 8.01 -1.26 -4.91 118.70 119.86 2jmj s GLU 25 Ca 0.00 -0.54 -0.02 0.00 0.01 0.00 0.00 54.97 54.41 2jmj s GLU 25 Cb 0.00 -1.84 0.04 0.00 -4.31 0.00 0.00 34.13 28.02 2jmj s GLU 25 CO 0.00 -0.80 0.12 -1.21 0.01 0.00 0.00 175.26 173.38 2jmj s GLU 26 N 1.90 0.03 0.45 1.61 2.02 -1.26 -5.02 118.70 118.43 2jmj s GLU 26 Ca 0.04 0.40 -0.23 0.00 0.02 0.00 0.00 54.97 55.20 2jmj s GLU 26 Cb -0.17 -0.26 -0.08 0.00 0.10 0.00 0.00 34.13 33.73 2jmj s GLU 26 CO -0.18 -0.23 1.12 0.08 0.02 0.00 0.00 175.26 176.07 2jmj s VAL 27 N 1.62 3.32 0.00 2.63 1.01 -1.26 -2.33 120.40 125.39 2jmj s VAL 27 Ca -0.04 0.98 0.00 0.00 0.00 0.00 0.00 61.98 62.93 2jmj s VAL 27 Cb -0.12 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2jmj s VAL 27 CO -0.05 -0.02 0.00 -1.22 0.00 0.00 0.00 175.10 173.81 2jmj n TYR 28 N -0.41 0.00 -1.44 5.22 4.01 -1.03 -4.92 117.16 118.59 2jmj n TYR 28 Ca 0.07 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.44 2jmj n TYR 28 Cb 0.49 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.59 2jmj n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jmj n PHE 30 N -2.20 0.00 0.39 0.00 -1.74 -1.26 -1.42 117.46 111.23 2jmj n PHE 30 Ca 0.13 0.00 0.09 0.00 -0.56 0.00 0.00 57.45 57.11 2jmj n PHE 30 Cb 0.49 0.00 0.39 0.00 1.52 0.00 0.00 39.48 41.88 2jmj n PHE 30 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2jmj n ARG 32 N -1.90 -5.73 -3.91 0.00 1.74 -0.51 -5.02 116.66 101.33 2jmj n ARG 32 Ca 0.02 0.61 -0.09 0.00 -0.77 0.00 0.00 57.85 57.62 2jmj n ARG 32 Cb 0.17 -4.99 -0.07 0.00 -1.02 0.00 0.00 32.46 26.56 2jmj n ARG 32 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2jmj s ASN 33 N -3.21 0.05 1.18 0.55 6.03 -1.26 -5.01 114.94 113.28 2jmj s ASN 33 Ca 0.42 -0.78 -0.13 0.00 -1.03 0.00 0.00 52.86 51.34 2jmj s ASN 33 Cb -0.18 0.41 0.29 0.00 -3.03 0.00 0.00 41.25 38.74 2jmj s ASN 33 CO 0.52 -0.85 1.02 -0.69 -2.03 0.00 0.00 177.10 175.07 2jmj s VAL 34 N -3.93 1.97 -1.37 3.54 1.01 -1.26 -2.47 120.40 117.89 2jmj s VAL 34 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 2jmj s VAL 34 Cb 0.04 -2.08 0.10 0.00 0.00 0.00 0.00 36.38 34.43 2jmj s VAL 34 CO -0.04 0.00 2.07 -0.24 0.00 0.00 0.00 175.10 176.89 2jmj n SER 35 N -4.96 4.51 -0.14 3.32 2.88 -0.98 -4.77 113.62 113.48 2jmj n SER 35 Ca 0.03 -2.97 -0.04 0.00 -1.33 0.00 0.00 58.87 54.56 2jmj n SER 35 Cb 0.55 -1.57 -0.03 0.00 -0.75 0.00 0.00 64.21 62.41 2jmj n SER 35 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2jmj n TYR 36 N 4.97 -0.14 0.10 0.66 4.02 -1.26 -4.71 117.16 120.80 2jmj n TYR 36 Ca 0.46 0.40 0.00 0.00 -0.01 0.00 0.00 57.90 58.76 2jmj n TYR 36 Cb 0.37 -0.50 0.00 0.00 -0.02 0.00 0.00 39.34 39.19 2jmj n TYR 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jmj n GLY 37 N -1.08 -1.71 3.55 2.72 0.00 -1.26 -5.08 105.19 102.33 2jmj n GLY 37 Ca 0.01 0.51 -0.38 0.00 0.00 0.00 0.00 46.02 46.16 2jmj n GLY 37 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jmj s PRO 38 N -1.78 3.03 0.41 1.61 0.04 -1.26 -4.97 135.00 132.08 2jmj s PRO 38 Ca 0.00 -0.22 0.04 0.00 0.04 0.00 0.00 61.00 60.86 2jmj s PRO 38 Cb 0.00 -4.63 -0.05 0.00 0.04 0.00 0.00 34.50 29.86 2jmj s PRO 38 CO 0.00 -2.50 0.04 -1.64 0.04 0.00 0.00 177.00 172.94 2jmj s MET 39 N 6.10 1.92 -0.03 4.56 -1.94 -1.26 -0.03 119.30 128.62 2jmj s MET 39 Ca 0.51 -2.13 -0.26 0.00 -1.71 0.00 0.00 55.69 52.10 2jmj s MET 39 Cb -0.07 -1.19 0.06 0.00 2.01 0.00 0.00 34.83 35.63 2jmj s MET 39 CO 0.09 -0.24 0.57 0.54 -0.01 0.00 0.00 175.02 175.96 2jmj s VAL 40 N -3.02 0.02 -0.15 -6.03 0.11 0.15 -4.88 120.40 106.60 2jmj s VAL 40 Ca 0.27 -0.15 -0.07 0.00 -2.93 0.00 0.00 61.98 59.10 2jmj s VAL 40 Cb 0.06 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 2jmj s VAL 40 CO 0.13 -0.08 0.10 0.00 -3.33 0.00 0.00 175.10 171.92 2jmj s ALA 41 N -1.38 3.64 -0.43 1.54 0.00 -1.25 0.18 121.76 124.05 2jmj s ALA 41 Ca -0.11 -0.70 -0.32 0.00 0.00 0.00 0.00 51.96 50.83 2jmj s ALA 41 Cb -0.01 -1.94 -0.11 0.00 0.00 0.00 0.00 23.12 21.06 2jmj s ALA 41 CO 0.07 0.39 2.30 0.00 0.00 0.00 0.00 175.76 178.53 2jmj n ASP 43 N 11.58 5.05 -4.22 0.00 2.03 -1.24 -4.83 116.55 124.93 2jmj n ASP 43 Ca 0.41 -2.90 -0.33 0.00 0.52 0.00 0.00 54.79 52.49 2jmj n ASP 43 Cb 0.31 -0.88 -0.16 0.00 -0.72 0.00 0.00 41.12 39.68 2jmj n ASP 43 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2jmj s ASN 44 N 0.11 3.40 0.18 1.67 3.04 -1.26 -5.00 114.94 117.09 2jmj s ASN 44 Ca 0.28 -0.54 0.03 0.00 0.04 0.00 0.00 52.86 52.68 2jmj s ASN 44 Cb 0.23 -1.51 0.18 0.00 -1.54 0.00 0.00 41.25 38.61 2jmj s ASN 44 CO 0.02 0.08 0.84 -2.65 -3.04 0.00 0.00 177.10 172.34 2jmj n PRO 45 N 4.11 0.03 -0.02 0.43 -0.02 -1.26 -2.30 135.00 135.97 2jmj n PRO 45 Ca -0.20 0.34 -0.03 0.00 -2.02 0.00 0.00 63.50 61.60 2jmj n PRO 45 Cb 0.51 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 31.94 2jmj n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jmj n ALA 46 N -1.28 1.61 0.00 3.55 0.00 -1.26 -5.06 120.51 118.08 2jmj n ALA 46 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2jmj n ALA 46 Cb 0.47 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2jmj n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmj h PRO 48 N 1.23 0.00 0.00 0.00 0.13 -1.97 -3.43 132.00 127.97 2jmj h PRO 48 Ca 0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.68 2jmj h PRO 48 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 2jmj h PRO 48 CO 0.00 0.00 -0.37 1.19 -0.23 0.00 0.00 178.00 178.59 2jmj n PHE 49 N -4.02 0.25 -2.56 1.56 3.01 -1.26 -5.09 117.46 109.35 2jmj n PHE 49 Ca 0.09 -2.05 0.01 0.00 1.01 0.00 0.00 57.45 56.52 2jmj n PHE 49 Cb 0.65 -0.05 0.03 0.00 -0.01 0.00 0.00 39.48 40.09 2jmj n PHE 49 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2jmj n GLU 50 N -0.77 0.62 -3.60 -1.08 1.02 -1.26 -4.20 120.64 111.36 2jmj n GLU 50 Ca -0.07 -2.32 -0.01 0.00 -0.02 0.00 0.00 57.16 54.75 2jmj n GLU 50 Cb 0.49 -0.42 -0.04 0.00 -0.02 0.00 0.00 31.44 31.45 2jmj n GLU 50 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jmj s TRP 51 N -1.17 -1.19 -0.05 -0.32 0.23 -1.24 -3.81 118.94 111.40 2jmj s TRP 51 Ca 0.27 2.08 -0.13 0.00 -2.03 0.00 0.00 56.10 56.29 2jmj s TRP 51 Cb 0.33 0.71 0.02 0.00 0.03 0.00 0.00 33.47 34.57 2jmj s TRP 51 CO -0.11 -0.59 0.30 -0.06 0.96 0.00 0.00 176.95 177.45 2jmj s PHE 52 N 2.69 -0.22 0.01 -1.98 0.40 0.13 -1.54 117.98 117.46 2jmj s PHE 52 Ca -0.06 0.45 -0.08 0.00 -0.60 0.00 0.00 56.93 56.64 2jmj s PHE 52 Cb -0.10 0.09 -0.05 0.00 0.51 0.00 0.00 43.02 43.47 2jmj s PHE 52 CO -0.19 -0.30 0.30 -3.38 0.70 0.00 0.00 175.22 172.36 2jmj s HIS 53 N -0.77 3.60 -0.35 0.36 -3.43 -1.26 0.30 115.29 113.75 2jmj s HIS 53 Ca -0.09 0.68 0.06 0.00 -0.80 0.00 0.00 55.06 54.91 2jmj s HIS 53 Cb -0.04 -2.06 0.33 0.00 -1.43 0.00 0.00 32.58 29.38 2jmj s HIS 53 CO 0.03 0.61 1.04 0.66 -2.00 0.00 0.00 174.74 175.08 2jmj n TYR 54 N 1.25 0.21 -0.03 0.38 4.01 0.95 0.16 117.16 124.10 2jmj n TYR 54 Ca -0.12 0.11 -0.17 0.00 -0.16 0.00 0.00 57.90 57.56 2jmj n TYR 54 Cb 0.53 -0.49 -0.14 0.00 -0.31 0.00 0.00 39.34 38.93 2jmj n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jmj n GLY 55 N -1.30 -0.65 0.35 2.72 0.00 -1.26 -3.55 105.19 101.51 2jmj n GLY 55 Ca -0.00 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.84 2jmj n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmj n VAL 57 N -4.47 0.00 -3.31 0.00 0.24 0.09 -4.94 118.33 105.94 2jmj n VAL 57 Ca 0.11 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.32 2jmj n VAL 57 Cb 0.17 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.48 2jmj n VAL 57 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2jmj s GLY 58 N 0.00 -0.53 0.00 7.63 0.00 -1.23 -4.87 107.32 108.31 2jmj s GLY 58 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.21 2jmj s GLY 58 CO 0.00 2.93 0.00 1.47 0.00 0.00 0.00 173.10 177.50 2jmj n LEU 59 N 5.36 0.00 -4.55 0.66 -0.00 -1.25 -5.09 117.00 112.12 2jmj n LEU 59 Ca -0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.60 2jmj n LEU 59 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.89 2jmj n LEU 59 CO 0.01 0.00 1.33 -0.54 -0.00 0.00 0.00 177.39 178.18 2jmj s LYS 60 N 0.00 3.02 0.31 1.47 1.02 -1.26 -4.69 119.74 119.60 2jmj s LYS 60 Ca 0.00 0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.11 2jmj s LYS 60 Cb 0.00 -4.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.07 2jmj s LYS 60 CO 0.00 -2.32 0.00 1.04 -0.92 0.00 0.00 175.35 173.15 2jmj n GLN 61 N 9.23 -2.59 -1.95 1.68 6.02 -1.26 -4.88 117.38 123.64 2jmj n GLN 61 Ca 0.10 1.94 -0.41 0.00 -0.01 0.00 0.00 57.00 58.62 2jmj n GLN 61 Cb 0.50 -2.20 -0.01 0.00 1.02 0.00 0.00 30.24 29.55 2jmj n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jmj s ALA 62 N -3.05 3.54 0.77 -1.58 0.00 -1.26 -4.99 121.76 115.19 2jmj s ALA 62 Ca 0.00 1.43 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 2jmj s ALA 62 Cb 0.00 -3.55 0.06 0.00 0.00 0.00 0.00 23.12 19.63 2jmj s ALA 62 CO 0.00 -0.86 1.09 -1.25 0.00 0.00 0.00 175.76 174.74 2jmj s PRO 63 N -1.95 2.25 0.54 0.00 0.04 -1.26 -4.91 135.00 129.71 2jmj s PRO 63 Ca 0.51 1.20 0.21 0.00 0.04 0.00 0.00 61.00 62.96 2jmj s PRO 63 Cb -0.43 -1.89 1.40 0.00 0.04 0.00 0.00 34.50 33.61 2jmj s PRO 63 CO 0.58 -1.65 2.12 0.87 0.04 0.00 0.00 177.00 178.96 2jmj h LYS 64 N -1.08 0.00 0.00 4.56 6.56 -2.02 -3.36 116.57 121.24 2jmj h LYS 64 Ca -0.44 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 2jmj h LYS 64 Cb 1.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 2jmj h LYS 64 CO 0.51 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 178.31 2jmj n GLY 65 N -1.53 0.80 3.50 3.86 0.00 -1.26 -5.11 105.19 105.46 2jmj n GLY 65 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 2jmj n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jmj s LYS 66 N 0.00 1.05 0.30 1.61 -2.85 -1.26 -5.18 119.74 113.41 2jmj s LYS 66 Ca 0.00 0.03 0.11 0.00 -1.00 0.00 0.00 55.97 55.12 2jmj s LYS 66 Cb 0.00 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.21 2jmj s LYS 66 CO 0.00 -0.37 -0.17 -0.46 0.10 0.00 0.00 175.35 174.44 2jmj s TRP 67 N -1.94 2.32 -0.20 1.78 -0.11 -1.26 -4.79 118.94 114.74 2jmj s TRP 67 Ca -0.06 -0.37 -0.06 0.00 1.22 0.00 0.00 56.10 56.83 2jmj s TRP 67 Cb -0.00 -1.09 -0.03 0.00 -1.50 0.00 0.00 33.47 30.85 2jmj s TRP 67 CO 0.02 0.69 0.03 0.71 -4.62 0.00 0.00 176.95 173.77 2jmj s TYR 68 N -2.53 3.10 0.32 5.86 2.02 -1.26 -3.64 117.35 121.21 2jmj s TYR 68 Ca 0.31 -0.29 0.26 0.00 -0.37 0.00 0.00 57.07 56.97 2jmj s TYR 68 Cb -0.03 -2.10 0.88 0.00 -0.40 0.00 0.00 41.96 40.30 2jmj s TYR 68 CO 0.15 -0.14 0.84 0.00 -1.57 0.00 0.00 175.55 174.83 2jmj s SER 70 N -3.79 -0.20 0.59 0.00 0.15 -1.26 -4.81 113.70 104.38 2jmj s SER 70 Ca -0.03 -0.06 0.30 0.00 0.70 0.00 0.00 55.95 56.86 2jmj s SER 70 Cb 0.14 0.25 1.33 0.00 -1.71 0.00 0.00 66.02 66.03 2jmj s SER 70 CO 0.45 -0.43 1.70 0.07 1.20 0.00 0.00 173.24 176.23 2jmj h LYS 71 N 2.00 0.00 0.00 5.44 2.10 -1.99 0.13 116.57 124.25 2jmj h LYS 71 Ca -0.18 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.45 2jmj h LYS 71 Cb 1.20 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2jmj h LYS 71 CO 0.26 0.00 -0.23 0.22 -2.00 0.00 0.00 179.45 177.71 2jmj h ASP 72 N 0.00 0.00 -0.61 7.07 3.58 -1.93 -3.12 116.42 121.40 2jmj h ASP 72 Ca 0.36 -0.27 0.15 0.00 0.42 0.00 0.00 57.03 57.69 2jmj h ASP 72 Cb 1.91 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 42.85 2jmj h ASP 72 CO -0.00 0.76 -0.05 0.00 -2.88 0.00 0.00 179.24 177.07 2jmj h LYS 74 N 0.00 -0.24 -0.88 0.00 3.64 -1.55 -2.30 116.57 115.24 2jmj h LYS 74 Ca 0.34 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.83 2jmj h LYS 74 Cb 0.65 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.45 2jmj h LYS 74 CO -0.60 0.10 0.53 1.49 -2.27 0.00 0.00 179.45 178.70 2jmj h GLU 75 N -0.62 0.87 -0.76 1.90 4.57 0.22 0.22 114.58 120.99 2jmj h GLU 75 Ca -0.03 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2jmj h GLU 75 Cb 0.45 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 2jmj h GLU 75 CO 0.04 0.57 0.46 0.82 -1.18 0.00 0.00 179.01 179.72 2jmj h ILE 76 N 0.90 1.21 -0.17 2.32 2.04 0.16 -0.48 117.51 123.48 2jmj h ILE 76 Ca 0.41 -0.46 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 2jmj h ILE 76 Cb 0.33 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2jmj h ILE 76 CO -0.23 0.22 -0.34 0.00 0.00 0.00 0.00 178.15 177.80 2jmj h ALA 77 N 1.46 1.11 0.00 1.87 0.00 -0.45 -2.50 119.26 120.75 2jmj h ALA 77 Ca 0.27 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2jmj h ALA 77 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2jmj h ALA 77 CO -0.05 0.57 -0.33 -0.97 0.00 0.00 0.00 179.25 178.47 2jmj h ASN 78 N 0.31 0.00 -0.89 0.00 -1.24 0.51 -2.75 115.58 111.52 2jmj h ASN 78 Ca 0.04 0.00 0.17 0.00 0.71 0.00 0.00 56.30 57.22 2jmj h ASN 78 Cb 0.74 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.72 2jmj h ASN 78 CO 0.06 0.33 0.58 1.56 -1.29 0.00 0.00 177.43 178.67 2jmj h GLN 79 N 0.00 0.52 -6.36 6.67 4.20 -0.80 -3.39 115.11 115.95 2jmj h GLN 79 Ca -0.00 -0.03 -0.55 0.00 0.06 0.00 0.00 58.65 58.12 2jmj h GLN 79 Cb 0.61 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 2jmj h GLN 79 CO 0.04 0.35 -0.01 0.50 -0.67 0.00 0.00 178.83 179.04 2jmj s ARG 80 N -5.55 4.15 0.12 1.46 3.52 -1.04 -5.08 118.95 116.53 2jmj s ARG 80 Ca -0.09 0.70 0.01 0.00 -0.13 0.00 0.00 55.73 56.22 2jmj s ARG 80 Cb 0.22 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.53 2jmj s ARG 80 CO 0.78 0.52 -0.03 -1.54 -0.81 0.00 0.00 175.30 174.22 2jmj s SER 81 N -1.47 1.06 0.37 -2.12 1.04 -1.26 -5.00 113.70 106.33 2jmj s SER 81 Ca 0.36 -1.08 -0.25 0.00 0.48 0.00 0.00 55.95 55.46 2jmj s SER 81 Cb -0.17 0.13 -0.09 0.00 0.10 0.00 0.00 66.02 65.98 2jmj s SER 81 CO 0.20 -0.53 1.03 -0.54 0.98 0.00 0.00 173.24 174.38 2jmj s LYS 82 N -3.88 4.29 0.00 4.02 1.02 -1.26 -5.23 119.74 118.69 2jmj s LYS 82 Ca 0.17 1.49 0.00 0.00 0.02 0.00 0.00 55.97 57.65 2jmj s LYS 82 Cb 0.06 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 2jmj s LYS 82 CO -0.01 -0.02 0.00 -1.13 -0.92 0.00 0.00 175.35 173.26