#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 1.28 -0.08 -1.09 0.41 -1.26 -5.02 118.70 112.94 2jmj s GLU 25 Ca 0.00 -0.21 -0.01 0.00 -0.41 0.00 0.00 54.97 54.34 2jmj s GLU 25 Cb 0.00 -1.51 0.03 0.00 -1.78 0.00 0.00 34.13 30.87 2jmj s GLU 25 CO 0.00 -0.31 -0.00 -1.21 -0.49 0.00 0.00 175.26 173.25 2jmj s GLU 26 N 1.76 0.66 0.86 1.61 2.02 -1.26 -5.03 118.70 119.33 2jmj s GLU 26 Ca 0.04 0.05 -0.10 0.00 0.02 0.00 0.00 54.97 54.98 2jmj s GLU 26 Cb -0.13 -1.10 0.11 0.00 0.10 0.00 0.00 34.13 33.12 2jmj s GLU 26 CO -0.07 -0.33 1.13 0.08 0.02 0.00 0.00 175.26 176.09 2jmj s VAL 27 N 1.95 2.48 0.00 2.63 1.01 -1.26 -2.86 120.40 124.35 2jmj s VAL 27 Ca 0.05 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2jmj s VAL 27 Cb -0.13 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.91 2jmj s VAL 27 CO -0.06 -0.20 0.00 -1.22 0.00 0.00 0.00 175.10 173.62 2jmj n TYR 28 N -3.97 0.00 -1.16 5.22 4.01 -0.65 -4.86 117.16 115.75 2jmj n TYR 28 Ca 0.11 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.50 2jmj n TYR 28 Cb 0.52 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.65 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 -2.83 0.00 0.37 0.00 3.72 -1.26 0.71 117.46 118.17 2jmj n PHE 30 Ca 0.11 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.62 2jmj n PHE 30 Cb 0.51 -0.27 0.46 0.00 -0.94 0.00 0.00 39.48 39.24 2jmj n PHE 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jmj n ARG 32 N -2.11 -3.43 -4.35 0.00 1.74 0.22 -5.02 116.66 103.72 2jmj n ARG 32 Ca 0.02 0.74 -0.18 0.00 -0.77 0.00 0.00 57.85 57.66 2jmj n ARG 32 Cb 0.19 -5.19 -0.10 0.00 -1.02 0.00 0.00 32.46 26.34 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 -2.68 2.15 0.65 0.55 6.03 -1.26 -4.88 114.94 115.50 2jmj s ASN 33 Ca 0.20 -1.17 -0.13 0.00 -1.03 0.00 0.00 52.86 50.73 2jmj s ASN 33 Cb -0.09 -0.05 -0.01 0.00 -3.03 0.00 0.00 41.25 38.07 2jmj s ASN 33 CO 0.24 -0.42 1.06 -0.69 -2.03 0.00 0.00 177.10 175.26 2jmj s VAL 34 N -3.26 3.93 -0.54 3.54 1.01 -1.26 -1.64 120.40 122.18 2jmj s VAL 34 Ca 0.27 0.76 -0.26 0.00 0.00 0.00 0.00 61.98 62.74 2jmj s VAL 34 Cb 0.04 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 2jmj s VAL 34 CO 0.08 -0.69 2.15 -0.55 0.00 0.00 0.00 175.10 176.09 2jmj s SER 35 N -3.33 4.85 0.40 3.32 0.15 -1.14 -4.80 113.70 113.16 2jmj s SER 35 Ca 0.61 0.76 0.07 0.00 0.70 0.00 0.00 55.95 58.08 2jmj s SER 35 Cb -0.15 -2.51 0.83 0.00 -1.71 0.00 0.00 66.02 62.47 2jmj s SER 35 CO 0.46 -2.62 2.04 1.88 1.20 0.00 0.00 173.24 176.20 2jmj h TYR 36 N 17.32 0.57 0.00 3.44 0.05 -1.94 -3.46 116.97 132.95 2jmj h TYR 36 Ca -0.25 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.54 2jmj h TYR 36 Cb 1.22 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.76 2jmj h TYR 36 CO 1.00 0.35 0.00 0.41 -1.05 0.00 0.00 178.16 178.87 2jmj n GLY 37 N -1.47 -0.14 3.56 3.88 0.00 -1.26 -5.09 105.19 104.67 2jmj n GLY 37 Ca 0.05 0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 3.26 0.41 1.61 0.04 -1.26 -4.97 135.00 134.10 2jmj s PRO 38 Ca 0.00 -0.59 0.04 0.00 0.04 0.00 0.00 61.00 60.49 2jmj s PRO 38 Cb 0.00 -4.84 -0.05 0.00 0.04 0.00 0.00 34.50 29.65 2jmj s PRO 38 CO 0.00 -2.36 0.04 -1.64 0.04 0.00 0.00 177.00 173.08 2jmj s MET 39 N 5.63 1.94 -0.02 4.56 -1.94 -1.26 0.58 119.30 128.79 2jmj s MET 39 Ca 0.47 -2.15 -0.26 0.00 -1.71 0.00 0.00 55.69 52.03 2jmj s MET 39 Cb -0.05 -1.21 0.06 0.00 2.01 0.00 0.00 34.83 35.64 2jmj s MET 39 CO 0.02 -0.25 0.57 0.54 -0.01 0.00 0.00 175.02 175.89 2jmj s VAL 40 N -3.01 0.02 -0.16 -6.03 0.11 0.24 -4.90 120.40 106.67 2jmj s VAL 40 Ca 0.25 -0.14 -0.08 0.00 -2.93 0.00 0.00 61.98 59.08 2jmj s VAL 40 Cb 0.06 -0.91 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 2jmj s VAL 40 CO 0.13 -0.08 0.13 0.00 -3.33 0.00 0.00 175.10 171.94 2jmj s ALA 41 N -1.44 3.76 -0.20 1.54 0.00 -1.25 0.94 121.76 125.10 2jmj s ALA 41 Ca -0.11 -0.67 -0.36 0.00 0.00 0.00 0.00 51.96 50.82 2jmj s ALA 41 Cb -0.01 -2.05 -0.13 0.00 0.00 0.00 0.00 23.12 20.93 2jmj s ALA 41 CO 0.07 0.39 1.90 0.00 0.00 0.00 0.00 175.76 178.11 2jmj n ASP 43 N 6.89 7.30 -4.24 0.00 9.92 -1.23 -4.83 116.55 130.37 2jmj n ASP 43 Ca 0.27 -3.80 -0.31 0.00 -0.53 0.00 0.00 54.79 50.42 2jmj n ASP 43 Cb 0.23 -0.93 -0.17 0.00 -0.64 0.00 0.00 41.12 39.61 2jmj n ASP 43 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2jmj s ASN 44 N -1.81 3.01 0.56 -2.24 2.47 -1.26 -4.95 114.94 110.72 2jmj s ASN 44 Ca 0.59 -0.52 0.48 0.00 0.42 0.00 0.00 52.86 53.83 2jmj s ASN 44 Cb 0.47 -1.08 1.66 0.00 -1.45 0.00 0.00 41.25 40.85 2jmj s ASN 44 CO -0.15 0.20 1.55 -0.65 -3.72 0.00 0.00 177.10 174.33 2jmj h PRO 45 N 6.38 0.00 0.00 0.43 0.11 -1.91 -3.23 132.00 133.77 2jmj h PRO 45 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2jmj h PRO 45 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2jmj h PRO 45 CO 0.47 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.26 2jmj n ALA 46 N -2.86 0.09 -3.02 -0.75 0.00 -1.26 -5.06 120.51 107.66 2jmj n ALA 46 Ca 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.84 2jmj n ALA 46 Cb 1.97 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.42 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 3.28 0.03 -5.10 0.00 0.11 -1.97 -3.41 132.00 124.93 2jmj h PRO 48 Ca -0.03 -0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.44 2jmj h PRO 48 Cb 0.64 -0.01 -0.13 0.00 0.11 0.00 0.00 31.00 31.62 2jmj h PRO 48 CO 0.05 0.02 -0.50 -0.06 -0.21 0.00 0.00 178.00 177.30 2jmj s PHE 49 N -5.07 1.79 -0.15 0.65 0.40 -1.26 -5.08 117.98 109.26 2jmj s PHE 49 Ca -0.06 -1.13 0.23 0.00 -0.60 0.00 0.00 56.93 55.37 2jmj s PHE 49 Cb 0.28 -1.41 0.46 0.00 0.51 0.00 0.00 43.02 42.86 2jmj s PHE 49 CO 0.85 -0.02 1.15 0.39 0.70 0.00 0.00 175.22 178.29 2jmj n GLU 50 N -1.15 0.95 -3.61 0.44 1.02 -1.26 -4.17 120.64 112.86 2jmj n GLU 50 Ca -0.15 -2.71 -0.01 0.00 -0.02 0.00 0.00 57.16 54.27 2jmj n GLU 50 Cb 0.66 -0.80 -0.04 0.00 -0.02 0.00 0.00 31.44 31.24 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 -1.96 -1.17 -0.03 -0.32 0.23 -1.24 -3.79 118.94 110.67 2jmj s TRP 51 Ca 0.28 2.07 -0.12 0.00 -2.03 0.00 0.00 56.10 56.30 2jmj s TRP 51 Cb 0.34 0.70 0.02 0.00 0.03 0.00 0.00 33.47 34.56 2jmj s TRP 51 CO -0.10 -0.58 0.27 -0.06 0.96 0.00 0.00 176.95 177.45 2jmj s PHE 52 N 2.60 -0.17 0.57 -1.98 0.40 0.27 -1.60 117.98 118.06 2jmj s PHE 52 Ca -0.06 0.30 -0.06 0.00 -0.60 0.00 0.00 56.93 56.51 2jmj s PHE 52 Cb -0.10 0.07 -0.01 0.00 0.51 0.00 0.00 43.02 43.50 2jmj s PHE 52 CO -0.19 -0.31 0.89 -1.01 0.70 0.00 0.00 175.22 175.30 2jmj s HIS 53 N -0.99 3.37 -0.38 0.36 3.76 -1.26 0.79 115.29 120.94 2jmj s HIS 53 Ca -0.11 0.76 0.22 0.00 -0.15 0.00 0.00 55.06 55.79 2jmj s HIS 53 Cb -0.05 -2.63 0.35 0.00 1.11 0.00 0.00 32.58 31.36 2jmj s HIS 53 CO 0.03 -0.68 1.61 1.88 -0.85 0.00 0.00 174.74 176.72 2jmj h TYR 54 N -0.10 0.00 0.03 1.40 -1.99 -0.17 -1.03 116.97 115.11 2jmj h TYR 54 Ca -0.46 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.04 2jmj h TYR 54 Cb 1.24 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.94 2jmj h TYR 54 CO 0.52 0.06 -1.12 0.78 -0.00 0.00 0.00 178.16 178.40 2jmj h GLY 55 N 3.85 0.08 0.82 3.88 0.00 -1.92 -3.24 103.07 106.53 2jmj h GLY 55 Ca -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 2jmj h GLY 55 CO 0.01 0.17 -0.04 0.00 0.00 0.00 0.00 176.54 176.67 2jmj n VAL 57 N -4.61 0.00 -3.37 0.00 0.24 -0.42 -4.92 118.33 105.24 2jmj n VAL 57 Ca -0.04 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.12 2jmj n VAL 57 Cb 0.28 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.56 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 -0.28 -0.30 7.63 0.00 -1.24 -4.86 107.32 108.26 2jmj s GLY 58 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 44.72 44.53 2jmj s GLY 58 CO 0.00 2.73 1.26 0.48 0.00 0.00 0.00 173.10 177.58 2jmj s LEU 59 N 2.43 -0.10 -0.84 0.66 0.05 -1.26 -5.10 118.68 114.52 2jmj s LEU 59 Ca 0.10 0.14 -0.23 0.00 0.05 0.00 0.00 54.13 54.19 2jmj s LEU 59 Cb -0.14 1.12 0.07 0.00 -2.05 0.00 0.00 46.19 45.19 2jmj s LEU 59 CO -0.29 -0.02 1.21 -0.54 -0.55 0.00 0.00 176.35 176.16 2jmj s LYS 60 N 1.91 3.38 0.13 1.48 1.02 -1.26 -4.76 119.74 121.63 2jmj s LYS 60 Ca -0.01 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 54.97 2jmj s LYS 60 Cb -0.01 -4.71 0.00 0.00 -0.52 0.00 0.00 37.83 32.59 2jmj s LYS 60 CO -0.15 -1.99 0.00 1.04 -0.92 0.00 0.00 175.35 173.33 2jmj n GLN 61 N 8.12 -1.10 -1.97 1.68 6.02 -1.26 -4.83 117.38 124.04 2jmj n GLN 61 Ca 0.15 0.82 -0.42 0.00 -0.01 0.00 0.00 57.00 57.53 2jmj n GLN 61 Cb 0.49 -0.92 -0.03 0.00 1.02 0.00 0.00 30.24 30.80 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 -2.32 3.49 0.72 -1.58 0.00 -1.26 -4.96 121.76 115.86 2jmj s ALA 62 Ca 0.00 0.87 -0.16 0.00 0.00 0.00 0.00 51.96 52.67 2jmj s ALA 62 Cb 0.00 -3.80 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 2jmj s ALA 62 CO 0.00 -1.61 0.62 -2.30 0.00 0.00 0.00 175.76 172.47 2jmj n PRO 63 N 7.37 0.33 -0.34 0.00 -0.02 -1.26 -4.82 135.00 136.26 2jmj n PRO 63 Ca 0.19 0.16 0.25 0.00 -2.02 0.00 0.00 63.50 62.07 2jmj n PRO 63 Cb 0.43 -1.91 0.53 0.00 -0.02 0.00 0.00 33.50 32.54 2jmj n PRO 63 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2jmj h LYS 64 N -0.37 0.33 0.00 -0.52 2.10 -2.01 -3.36 116.57 112.75 2jmj h LYS 64 Ca -0.46 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2jmj h LYS 64 Cb 1.35 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2jmj h LYS 64 CO 0.43 0.22 0.00 0.41 -2.00 0.00 0.00 179.45 178.51 2jmj n GLY 65 N -1.49 1.87 3.12 0.07 0.00 -1.26 -5.09 105.19 102.41 2jmj n GLY 65 Ca 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.21 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 0.65 0.25 1.61 -2.85 -1.26 -5.15 119.74 112.98 2jmj s LYS 66 Ca 0.00 -1.03 0.10 0.00 -1.00 0.00 0.00 55.97 54.04 2jmj s LYS 66 Cb 0.00 0.24 -0.05 0.00 -2.06 0.00 0.00 37.83 35.96 2jmj s LYS 66 CO 0.00 -0.15 -0.16 -0.46 0.10 0.00 0.00 175.35 174.68 2jmj s TRP 67 N -3.50 2.01 -0.22 1.78 -0.11 -1.26 -4.81 118.94 112.82 2jmj s TRP 67 Ca 0.03 -0.47 -0.07 0.00 1.22 0.00 0.00 56.10 56.81 2jmj s TRP 67 Cb 0.04 -0.93 -0.03 0.00 -1.50 0.00 0.00 33.47 31.06 2jmj s TRP 67 CO -0.09 0.52 0.06 0.71 -4.62 0.00 0.00 176.95 173.53 2jmj s TYR 68 N -2.76 3.11 0.17 5.86 2.02 -1.26 -3.48 117.35 121.02 2jmj s TYR 68 Ca 0.27 -0.29 0.13 0.00 -0.37 0.00 0.00 57.07 56.81 2jmj s TYR 68 Cb -0.02 -2.17 0.58 0.00 -0.40 0.00 0.00 41.96 39.95 2jmj s TYR 68 CO 0.11 -0.21 0.59 0.00 -1.57 0.00 0.00 175.55 174.48 2jmj s SER 70 N -4.40 -0.15 0.59 0.00 0.01 -1.26 -4.76 113.70 103.73 2jmj s SER 70 Ca -0.03 -0.36 0.29 0.00 1.31 0.00 0.00 55.95 57.16 2jmj s SER 70 Cb 0.12 0.43 1.41 0.00 0.21 0.00 0.00 66.02 68.18 2jmj s SER 70 CO 0.32 -0.79 1.80 0.07 0.41 0.00 0.00 173.24 175.04 2jmj h LYS 71 N 2.00 0.00 0.00 12.44 2.10 -1.99 -0.32 116.57 130.81 2jmj h LYS 71 Ca -0.25 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.36 2jmj h LYS 71 Cb 1.22 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 2jmj h LYS 71 CO 0.26 0.00 -0.35 0.38 -2.00 0.00 0.00 179.45 177.74 2jmj h ASP 72 N 0.00 0.00 -0.74 7.07 2.03 -1.94 -3.05 116.42 119.80 2jmj h ASP 72 Ca 0.30 -0.33 0.25 0.00 -0.73 0.00 0.00 57.03 56.52 2jmj h ASP 72 Cb 1.56 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.92 2jmj h ASP 72 CO -0.00 0.86 0.20 0.00 -1.03 0.00 0.00 179.24 179.26 2jmj h LYS 74 N 0.00 -0.19 -0.65 0.00 3.64 -1.54 -2.55 116.57 115.28 2jmj h LYS 74 Ca 0.53 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 60.00 2jmj h LYS 74 Cb 1.28 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.10 2jmj h LYS 74 CO -0.63 0.25 0.43 1.49 -2.27 0.00 0.00 179.45 178.71 2jmj h GLU 75 N -0.82 0.60 -0.67 1.90 4.57 0.97 0.19 114.58 121.31 2jmj h GLU 75 Ca -0.02 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.05 2jmj h GLU 75 Cb 0.53 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 2jmj h GLU 75 CO 0.03 0.40 0.13 0.82 -1.18 0.00 0.00 179.01 179.21 2jmj h ILE 76 N 0.62 1.26 -0.27 2.32 2.04 0.33 1.22 117.51 125.04 2jmj h ILE 76 Ca 0.28 -1.02 -0.15 0.00 1.00 0.00 0.00 64.86 64.97 2jmj h ILE 76 Cb 0.32 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2jmj h ILE 76 CO -0.09 0.38 -0.43 0.00 0.00 0.00 0.00 178.15 178.02 2jmj h ALA 77 N 1.06 0.41 0.00 1.87 0.00 -0.70 -2.95 119.26 118.94 2jmj h ALA 77 Ca 0.21 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2jmj h ALA 77 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2jmj h ALA 77 CO 0.01 0.53 -0.07 -1.71 0.00 0.00 0.00 179.25 178.01 2jmj n ASN 78 N -4.15 0.13 -4.50 0.00 5.15 0.53 -4.73 115.26 107.68 2jmj n ASN 78 Ca -0.05 0.41 -0.13 0.00 -0.60 0.00 0.00 54.58 54.21 2jmj n ASN 78 Cb 0.56 -0.42 -0.10 0.00 -0.53 0.00 0.00 39.78 39.28 2jmj n ASN 78 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2jmj n GLN 79 N -1.57 0.26 0.00 1.20 0.00 0.42 -3.61 117.38 114.09 2jmj n GLN 79 Ca 0.07 -0.97 0.00 0.00 -0.00 0.00 0.00 57.00 56.09 2jmj n GLN 79 Cb 0.35 -3.18 0.00 0.00 0.00 0.00 0.00 30.24 27.41 2jmj n GLN 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2jmj n ARG 80 N 7.71 0.00 -3.87 3.69 1.74 -1.26 -5.02 116.66 119.65 2jmj n ARG 80 Ca 0.42 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.41 2jmj n ARG 80 Cb 0.42 -0.17 -0.07 0.00 -1.02 0.00 0.00 32.46 31.62 2jmj n ARG 80 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2jmj s SER 81 N -1.58 0.08 0.28 0.55 1.04 -1.24 -5.17 113.70 107.66 2jmj s SER 81 Ca 0.00 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.76 2jmj s SER 81 Cb 0.00 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 2jmj s SER 81 CO 0.00 -0.78 0.46 -0.54 0.98 0.00 0.00 173.24 173.36 2jmj s LYS 82 N -3.88 3.48 0.00 4.02 1.02 -1.26 -5.10 119.74 118.02 2jmj s LYS 82 Ca 0.08 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.62 2jmj s LYS 82 Cb 0.04 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 2jmj s LYS 82 CO -0.08 0.29 0.42 0.45 -0.92 0.00 0.00 175.35 175.51