#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 3.27 -0.05 -1.09 2.02 -1.26 -5.01 118.70 116.58 2jmj s GLU 25 Ca 0.00 -0.70 -0.00 0.00 0.02 0.00 0.00 54.97 54.29 2jmj s GLU 25 Cb 0.00 -2.80 0.03 0.00 0.10 0.00 0.00 34.13 31.46 2jmj s GLU 25 CO 0.00 -0.11 -0.00 -1.21 0.02 0.00 0.00 175.26 173.96 2jmj s GLU 26 N 1.17 0.51 0.71 1.61 2.02 -1.26 -5.04 118.70 118.42 2jmj s GLU 26 Ca 0.02 0.08 -0.14 0.00 0.02 0.00 0.00 54.97 54.95 2jmj s GLU 26 Cb -0.14 -0.77 0.03 0.00 0.10 0.00 0.00 34.13 33.34 2jmj s GLU 26 CO -0.04 -0.22 1.13 0.08 0.02 0.00 0.00 175.26 176.23 2jmj s VAL 27 N 1.52 3.01 0.00 2.63 1.01 -1.26 -2.64 120.40 124.68 2jmj s VAL 27 Ca -0.02 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2jmj s VAL 27 Cb -0.13 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2jmj s VAL 27 CO -0.03 -0.32 0.00 -1.22 0.00 0.00 0.00 175.10 173.53 2jmj n TYR 28 N -2.79 0.00 -1.20 5.22 4.01 -0.79 -4.88 117.16 116.73 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 0.09 0.00 -0.31 0.00 0.00 39.34 39.64 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 -2.70 0.00 0.59 0.00 3.72 -1.26 -0.22 117.46 117.58 2jmj n PHE 30 Ca 0.11 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.60 2jmj n PHE 30 Cb 0.50 -0.10 0.41 0.00 -0.94 0.00 0.00 39.48 39.36 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 -1.67 -3.15 -4.33 0.00 1.74 0.69 -5.01 116.66 104.91 2jmj n ARG 32 Ca 0.04 0.76 -0.17 0.00 -0.77 0.00 0.00 57.85 57.71 2jmj n ARG 32 Cb 0.23 -5.24 -0.10 0.00 -1.02 0.00 0.00 32.46 26.33 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 -2.60 2.07 0.60 0.55 6.03 -1.26 -4.92 114.94 115.41 2jmj s ASN 33 Ca 0.17 -1.15 -0.15 0.00 -1.03 0.00 0.00 52.86 50.70 2jmj s ASN 33 Cb -0.07 -0.04 -0.03 0.00 -3.03 0.00 0.00 41.25 38.07 2jmj s ASN 33 CO 0.21 -0.41 1.05 -0.69 -2.03 0.00 0.00 177.10 175.23 2jmj s VAL 34 N -3.28 4.00 -0.62 3.54 1.01 -1.26 -1.89 120.40 121.90 2jmj s VAL 34 Ca 0.25 0.87 -0.26 0.00 0.00 0.00 0.00 61.98 62.84 2jmj s VAL 34 Cb 0.04 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 2jmj s VAL 34 CO 0.07 -0.63 2.10 -0.55 0.00 0.00 0.00 175.10 176.09 2jmj s SER 35 N -3.10 4.85 0.38 3.32 0.15 -1.08 -4.79 113.70 113.44 2jmj s SER 35 Ca 0.61 0.46 0.05 0.00 0.70 0.00 0.00 55.95 57.77 2jmj s SER 35 Cb -0.14 -2.52 0.77 0.00 -1.71 0.00 0.00 66.02 62.41 2jmj s SER 35 CO 0.41 -2.72 2.03 1.88 1.20 0.00 0.00 173.24 176.04 2jmj h TYR 36 N 15.99 0.60 0.00 3.44 0.05 -1.94 -3.47 116.97 131.65 2jmj h TYR 36 Ca -0.19 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.59 2jmj h TYR 36 Cb 1.17 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.71 2jmj h TYR 36 CO 1.04 0.40 0.00 0.41 -1.05 0.00 0.00 178.16 178.96 2jmj n GLY 37 N -1.40 -0.05 3.58 3.88 0.00 -1.26 -5.06 105.19 104.87 2jmj n GLY 37 Ca 0.04 0.24 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 2jmj n GLY 37 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jmj s PRO 38 N 0.00 1.88 0.49 1.61 0.02 -1.26 -4.88 135.00 132.86 2jmj s PRO 38 Ca 0.00 -0.62 0.02 0.00 0.02 0.00 0.00 61.00 60.42 2jmj s PRO 38 Cb 0.00 -5.07 -0.02 0.00 0.02 0.00 0.00 34.50 29.43 2jmj s PRO 38 CO 0.00 -4.59 0.02 -1.64 -0.33 0.00 0.00 177.00 170.46 2jmj s MET 39 N 7.57 2.15 -0.04 5.54 -1.94 -1.26 0.20 119.30 131.53 2jmj s MET 39 Ca 0.76 -2.36 -0.30 0.00 -1.71 0.00 0.00 55.69 52.08 2jmj s MET 39 Cb -0.04 -1.39 0.08 0.00 2.01 0.00 0.00 34.83 35.48 2jmj s MET 39 CO 0.13 -0.37 0.70 0.54 -0.01 0.00 0.00 175.02 176.02 2jmj s VAL 40 N -2.92 0.00 -0.19 -6.03 0.11 0.16 -4.88 120.40 106.65 2jmj s VAL 40 Ca 0.09 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.06 2jmj s VAL 40 Cb 0.02 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 2jmj s VAL 40 CO 0.05 0.00 0.08 0.00 -3.33 0.00 0.00 175.10 171.90 2jmj s ALA 41 N -1.52 3.48 -0.39 1.54 0.00 -1.26 0.44 121.76 124.05 2jmj s ALA 41 Ca -0.08 -0.75 -0.35 0.00 0.00 0.00 0.00 51.96 50.78 2jmj s ALA 41 Cb -0.00 -2.00 -0.12 0.00 0.00 0.00 0.00 23.12 21.00 2jmj s ALA 41 CO 0.06 0.14 2.23 0.00 0.00 0.00 0.00 175.76 178.19 2jmj n ASP 43 N 10.16 6.64 -4.44 0.00 2.03 -1.26 -4.83 116.55 124.86 2jmj n ASP 43 Ca 0.43 -3.24 -0.33 0.00 0.52 0.00 0.00 54.79 52.17 2jmj n ASP 43 Cb 0.23 -1.14 -0.14 0.00 -0.72 0.00 0.00 41.12 39.35 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 0.01 3.90 0.00 1.67 3.04 -1.26 -4.98 114.94 117.32 2jmj s ASN 44 Ca 0.49 -0.25 0.00 0.00 0.04 0.00 0.00 52.86 53.14 2jmj s ASN 44 Cb 0.35 -0.91 0.00 0.00 -1.54 0.00 0.00 41.25 39.15 2jmj s ASN 44 CO -0.14 0.31 0.38 -0.81 -3.04 0.00 0.00 177.10 173.80 2jmj n PRO 45 N 2.52 0.00 0.00 0.43 -0.04 -1.26 -3.84 135.00 132.81 2jmj n PRO 45 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2jmj n PRO 45 Cb 0.52 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2jmj n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jmj n ALA 46 N -0.87 1.39 -3.04 0.55 0.00 -1.26 -5.10 120.51 112.18 2jmj n ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jmj n ALA 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jmj n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmj n PRO 48 N 1.56 -0.01 -4.58 0.00 -0.02 -1.26 -4.48 135.00 126.21 2jmj n PRO 48 Ca 0.00 1.05 -0.27 0.00 -2.02 0.00 0.00 63.50 62.26 2jmj n PRO 48 Cb 0.36 -2.34 -0.08 0.00 -0.02 0.00 0.00 33.50 31.42 2jmj n PRO 48 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2jmj s PHE 49 N -4.82 1.84 -0.14 6.00 0.08 -1.26 -5.08 117.98 114.60 2jmj s PHE 49 Ca -0.05 -1.15 0.24 0.00 0.12 0.00 0.00 56.93 56.09 2jmj s PHE 49 Cb 0.26 -1.31 0.47 0.00 -0.57 0.00 0.00 43.02 41.87 2jmj s PHE 49 CO 0.82 -0.11 1.14 0.39 -0.10 0.00 0.00 175.22 177.36 2jmj n GLU 50 N -0.99 0.94 -3.59 0.44 1.02 -1.26 -4.22 120.64 112.98 2jmj n GLU 50 Ca -0.09 -2.82 -0.02 0.00 -0.02 0.00 0.00 57.16 54.21 2jmj n GLU 50 Cb 0.66 -0.87 -0.05 0.00 -0.02 0.00 0.00 31.44 31.16 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 -2.07 -1.04 -0.08 -0.32 0.23 -1.23 -3.84 118.94 110.58 2jmj s TRP 51 Ca 0.30 1.88 -0.13 0.00 -2.03 0.00 0.00 56.10 56.12 2jmj s TRP 51 Cb 0.35 0.63 0.03 0.00 0.03 0.00 0.00 33.47 34.51 2jmj s TRP 51 CO -0.10 -0.52 0.33 -0.06 0.96 0.00 0.00 176.95 177.56 2jmj s PHE 52 N 2.38 -0.29 0.63 -1.98 0.40 0.17 -1.99 117.98 117.30 2jmj s PHE 52 Ca -0.06 0.64 -0.09 0.00 -0.60 0.00 0.00 56.93 56.82 2jmj s PHE 52 Cb -0.08 0.11 -0.00 0.00 0.51 0.00 0.00 43.02 43.56 2jmj s PHE 52 CO -0.18 -0.27 1.00 -1.01 0.70 0.00 0.00 175.22 175.46 2jmj s HIS 53 N -0.45 3.40 -0.48 0.36 3.76 -1.26 0.36 115.29 120.98 2jmj s HIS 53 Ca -0.06 0.98 0.23 0.00 -0.15 0.00 0.00 55.06 56.07 2jmj s HIS 53 Cb -0.04 -2.83 0.41 0.00 1.11 0.00 0.00 32.58 31.24 2jmj s HIS 53 CO 0.02 -0.89 1.63 1.88 -0.85 0.00 0.00 174.74 176.54 2jmj h TYR 54 N -0.37 0.00 0.04 1.40 -1.99 0.20 -0.93 116.97 115.31 2jmj h TYR 54 Ca -0.45 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.03 2jmj h TYR 54 Cb 1.23 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.94 2jmj h TYR 54 CO 0.54 0.00 -1.24 0.78 -0.00 0.00 0.00 178.16 178.24 2jmj h GLY 55 N 4.08 0.09 0.74 3.88 0.00 -1.93 -3.28 103.07 106.65 2jmj h GLY 55 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2jmj h GLY 55 CO 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 176.54 176.73 2jmj n VAL 57 N -4.79 0.00 -3.29 0.00 0.24 -0.38 -4.94 118.33 105.16 2jmj n VAL 57 Ca -0.06 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.17 2jmj n VAL 57 Cb 0.22 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.53 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 -0.62 -0.30 7.63 0.00 -1.24 -4.86 107.32 107.93 2jmj s GLY 58 Ca 0.00 0.66 -0.20 0.00 0.00 0.00 0.00 44.72 45.18 2jmj s GLY 58 CO 0.00 3.00 1.31 0.48 0.00 0.00 0.00 173.10 177.90 2jmj s LEU 59 N 2.60 -0.01 -0.84 0.66 0.05 -1.26 -5.09 118.68 114.78 2jmj s LEU 59 Ca 0.12 0.01 -0.25 0.00 0.05 0.00 0.00 54.13 54.06 2jmj s LEU 59 Cb -0.13 1.01 0.03 0.00 -2.05 0.00 0.00 46.19 45.05 2jmj s LEU 59 CO -0.24 -0.00 1.37 -0.75 -0.55 0.00 0.00 176.35 176.18 2jmj s LYS 60 N 2.22 3.30 0.20 1.48 2.20 -1.26 -4.71 119.74 123.16 2jmj s LYS 60 Ca -0.02 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 2jmj s LYS 60 Cb -0.02 -4.63 0.00 0.00 -1.51 0.00 0.00 37.83 31.67 2jmj s LYS 60 CO -0.14 -2.22 0.00 1.04 -0.36 0.00 0.00 175.35 173.68 2jmj n GLN 61 N 9.19 -1.63 -1.83 4.03 6.02 -1.26 -4.78 117.38 127.12 2jmj n GLN 61 Ca 0.15 1.22 -0.42 0.00 -0.01 0.00 0.00 57.00 57.94 2jmj n GLN 61 Cb 0.50 -1.40 -0.03 0.00 1.02 0.00 0.00 30.24 30.33 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 -2.88 3.31 0.75 -1.58 0.00 -1.26 -4.93 121.76 115.17 2jmj s ALA 62 Ca 0.00 0.92 -0.16 0.00 0.00 0.00 0.00 51.96 52.71 2jmj s ALA 62 Cb 0.00 -3.88 -0.08 0.00 0.00 0.00 0.00 23.12 19.15 2jmj s ALA 62 CO 0.00 -1.92 0.09 -2.30 0.00 0.00 0.00 175.76 171.63 2jmj n PRO 63 N 7.78 0.12 -0.32 0.00 -0.02 -1.26 -4.80 135.00 136.51 2jmj n PRO 63 Ca 0.21 0.06 0.19 0.00 -2.02 0.00 0.00 63.50 61.95 2jmj n PRO 63 Cb 0.43 -1.47 0.38 0.00 -0.02 0.00 0.00 33.50 32.83 2jmj n PRO 63 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2jmj h LYS 64 N -0.51 0.16 0.00 -0.52 3.64 -1.99 -3.36 116.57 113.98 2jmj h LYS 64 Ca -0.44 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2jmj h LYS 64 Cb 1.36 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2jmj h LYS 64 CO 0.38 0.10 0.00 0.41 -2.27 0.00 0.00 179.45 178.07 2jmj n GLY 65 N -1.36 1.25 3.11 5.01 0.00 -1.26 -5.07 105.19 106.87 2jmj n GLY 65 Ca 0.27 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.11 2jmj n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmj s LYS 66 N 0.03 0.77 0.32 1.61 1.02 -1.26 -5.11 119.74 117.11 2jmj s LYS 66 Ca 0.00 -0.75 0.07 0.00 0.02 0.00 0.00 55.97 55.32 2jmj s LYS 66 Cb 0.00 -0.72 -0.03 0.00 -0.52 0.00 0.00 37.83 36.56 2jmj s LYS 66 CO 0.00 0.17 0.26 -0.46 -0.92 0.00 0.00 175.35 174.40 2jmj s TRP 67 N -1.00 2.93 -0.16 3.18 -0.11 -1.26 -4.86 118.94 117.66 2jmj s TRP 67 Ca -0.02 -0.27 -0.01 0.00 1.22 0.00 0.00 56.10 57.03 2jmj s TRP 67 Cb -0.08 -1.70 -0.01 0.00 -1.50 0.00 0.00 33.47 30.18 2jmj s TRP 67 CO 0.01 0.27 -0.11 0.71 -4.62 0.00 0.00 176.95 173.21 2jmj s TYR 68 N -2.28 2.85 0.26 5.86 2.02 -1.26 -4.00 117.35 120.80 2jmj s TYR 68 Ca 0.39 -0.88 0.22 0.00 -0.37 0.00 0.00 57.07 56.43 2jmj s TYR 68 Cb -0.06 -1.93 0.83 0.00 -0.40 0.00 0.00 41.96 40.40 2jmj s TYR 68 CO 0.26 -0.40 0.78 0.00 -1.57 0.00 0.00 175.55 174.62 2jmj s SER 70 N -4.10 -0.35 0.54 0.00 0.01 -1.26 -4.80 113.70 103.75 2jmj s SER 70 Ca -0.03 -0.18 0.36 0.00 1.31 0.00 0.00 55.95 57.40 2jmj s SER 70 Cb 0.14 0.50 1.54 0.00 0.21 0.00 0.00 66.02 68.41 2jmj s SER 70 CO 0.44 -0.86 1.82 0.07 0.41 0.00 0.00 173.24 175.11 2jmj h LYS 71 N 2.00 0.00 0.10 12.44 2.10 -2.00 0.32 116.57 131.53 2jmj h LYS 71 Ca -0.25 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.15 2jmj h LYS 71 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 2jmj h LYS 71 CO 0.30 0.00 -1.29 0.22 -2.00 0.00 0.00 179.45 176.68 2jmj h ASP 72 N 0.00 0.32 -0.17 7.07 3.58 -1.94 -3.17 116.42 122.12 2jmj h ASP 72 Ca 0.54 -0.83 0.05 0.00 0.42 0.00 0.00 57.03 57.20 2jmj h ASP 72 Cb 2.16 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 43.09 2jmj h ASP 72 CO -0.01 1.56 0.71 0.00 -2.88 0.00 0.00 179.24 178.63 2jmj h LYS 74 N 0.00 0.06 -0.63 0.00 3.64 -1.37 -3.33 116.57 114.95 2jmj h LYS 74 Ca 0.08 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2jmj h LYS 74 Cb 1.50 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.33 2jmj h LYS 74 CO -0.00 1.05 0.24 1.49 -2.27 0.00 0.00 179.45 179.96 2jmj h GLU 75 N -0.78 0.92 -0.25 1.90 4.57 0.15 -1.87 114.58 119.22 2jmj h GLU 75 Ca -0.33 -0.15 0.03 0.00 -1.18 0.00 0.00 59.36 57.73 2jmj h GLU 75 Cb 1.43 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 2jmj h GLU 75 CO -0.13 0.76 0.17 0.82 -1.18 0.00 0.00 179.01 179.45 2jmj h ILE 76 N 0.90 0.99 -0.02 2.32 2.04 0.44 0.85 117.51 125.03 2jmj h ILE 76 Ca 0.21 -0.07 -0.25 0.00 1.00 0.00 0.00 64.86 65.75 2jmj h ILE 76 Cb 0.19 0.76 0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2jmj h ILE 76 CO -0.02 0.04 -0.97 0.00 0.00 0.00 0.00 178.15 177.20 2jmj h ALA 77 N 1.86 0.23 0.00 1.87 0.00 -1.46 -3.14 119.26 118.62 2jmj h ALA 77 Ca 0.11 -0.69 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 2jmj h ALA 77 Cb 0.16 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jmj h ALA 77 CO -0.02 0.72 -0.38 -0.91 0.00 0.00 0.00 179.25 178.66 2jmj h ASN 78 N 0.37 0.00 -3.33 0.00 -0.26 -0.86 -3.40 115.58 108.10 2jmj h ASN 78 Ca -0.10 0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 55.05 2jmj h ASN 78 Cb 1.61 0.00 -0.10 0.00 -1.06 0.00 0.00 38.32 38.77 2jmj h ASN 78 CO 0.19 0.38 0.69 -1.10 -1.06 0.00 0.00 177.43 176.52 2jmj s GLN 79 N -3.90 3.44 0.00 0.81 -0.21 0.19 -4.33 119.66 115.66 2jmj s GLN 79 Ca -0.02 -0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.36 2jmj s GLN 79 Cb 0.13 -4.01 0.00 0.00 1.00 0.00 0.00 33.01 30.13 2jmj s GLN 79 CO 0.70 -1.47 0.00 2.89 -2.12 0.00 0.00 175.29 175.29 2jmj n ARG 80 N 7.66 0.00 -4.05 2.91 1.85 -1.26 -4.89 116.66 118.87 2jmj n ARG 80 Ca 0.05 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.81 2jmj n ARG 80 Cb 0.48 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.80 2jmj n ARG 80 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2jmj s SER 81 N -0.26 0.24 0.35 2.89 1.04 -1.26 -5.04 113.70 111.66 2jmj s SER 81 Ca 0.00 -1.01 0.05 0.00 0.48 0.00 0.00 55.95 55.47 2jmj s SER 81 Cb 0.00 0.32 0.71 0.00 0.10 0.00 0.00 66.02 67.15 2jmj s SER 81 CO 0.00 -0.75 1.96 0.11 0.98 0.00 0.00 173.24 175.54 2jmj h LYS 82 N 2.82 0.77 -0.02 4.02 1.57 -2.01 -3.52 116.57 120.20 2jmj h LYS 82 Ca -0.34 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2jmj h LYS 82 Cb 1.20 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2jmj h LYS 82 CO 0.57 0.51 0.00 0.43 -0.57 0.00 0.00 179.45 180.39