#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ccx s LYS 2 N 0.00 0.77 0.14 1.96 1.02 -1.26 -1.02 119.74 121.35 2ccx s LYS 2 Ca 0.00 -0.58 0.06 0.00 0.02 0.00 0.00 55.97 55.48 2ccx s LYS 2 Cb 0.00 -0.72 -0.04 0.00 -0.52 0.00 0.00 37.83 36.55 2ccx s LYS 2 CO 0.00 0.18 -0.14 0.00 -0.92 0.00 0.00 175.35 174.47 2ccx s ASN 4 N -2.70 5.62 0.49 0.00 0.01 -1.26 -0.72 114.94 116.38 2ccx s ASN 4 Ca 0.13 0.83 0.03 0.00 -0.71 0.00 0.00 52.86 53.14 2ccx s ASN 4 Cb -0.03 -1.80 -0.02 0.00 0.41 0.00 0.00 41.25 39.80 2ccx s ASN 4 CO 0.04 -1.09 0.07 -1.10 -1.51 0.00 0.00 177.10 173.51 2ccx s GLN 5 N -5.06 2.16 0.18 -0.60 -1.52 -0.66 -3.83 119.66 110.34 2ccx s GLN 5 Ca 0.54 -2.26 0.23 0.00 -1.95 0.00 0.00 55.36 51.92 2ccx s GLN 5 Cb -0.11 -1.66 0.01 0.00 -0.22 0.00 0.00 33.01 31.03 2ccx s GLN 5 CO 0.47 -0.32 1.04 1.47 -0.25 0.00 0.00 175.29 177.69 2ccx n LEU 6 N -1.28 0.80 0.10 2.90 -0.00 -1.26 -4.63 117.00 113.63 2ccx n LEU 6 Ca -0.13 0.30 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 2ccx n LEU 6 Cb 0.66 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 2ccx n LEU 6 CO 0.41 -0.17 0.00 -0.38 -0.00 0.00 0.00 177.39 177.25 2ccx n ILE 7 N -2.60 0.00 -1.17 1.47 5.41 -1.26 -4.63 119.36 116.57 2ccx n ILE 7 Ca 0.00 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.45 2ccx n ILE 7 Cb 0.54 -0.10 0.12 0.00 -0.71 0.00 0.00 39.64 39.49 2ccx n ILE 7 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2ccx s PRO 8 N -1.47 1.72 0.46 0.38 0.04 -1.26 -4.96 135.00 129.91 2ccx s PRO 8 Ca 0.00 1.07 0.25 0.00 0.04 0.00 0.00 61.00 62.36 2ccx s PRO 8 Cb 0.00 -1.84 0.56 0.00 0.04 0.00 0.00 34.50 33.26 2ccx s PRO 8 CO 0.00 -1.99 1.69 -1.00 0.04 0.00 0.00 177.00 175.73 2ccx h PRO 9 N -1.38 0.00 -6.29 0.56 0.13 -1.99 -3.42 132.00 119.61 2ccx h PRO 9 Ca -0.46 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.40 2ccx h PRO 9 Cb 1.26 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.54 2ccx h PRO 9 CO 0.52 0.02 -0.31 1.97 -0.23 0.00 0.00 178.00 179.97 2ccx n PHE 10 N -3.11 -2.55 -3.54 1.56 -1.74 -1.26 -4.71 117.46 102.11 2ccx n PHE 10 Ca 0.03 -0.17 -0.10 0.00 -0.56 0.00 0.00 57.45 56.66 2ccx n PHE 10 Cb 0.49 -1.40 -0.04 0.00 1.52 0.00 0.00 39.48 40.06 2ccx n PHE 10 CO 0.00 0.00 0.00 1.67 -0.56 0.00 0.00 176.76 177.87 2ccx s TRP 11 N -2.10 -0.36 -0.09 2.97 1.48 -1.26 -1.65 118.94 117.92 2ccx s TRP 11 Ca 0.44 0.44 0.04 0.00 -1.06 0.00 0.00 56.10 55.96 2ccx s TRP 11 Cb -0.08 0.49 -0.00 0.00 -1.16 0.00 0.00 33.47 32.72 2ccx s TRP 11 CO 0.41 -0.45 -0.23 0.21 -4.06 0.00 0.00 176.95 172.83 2ccx s LYS 12 N -2.12 2.96 0.08 3.25 2.20 0.10 -4.88 119.74 121.34 2ccx s LYS 12 Ca 0.01 -0.87 -0.31 0.00 -0.36 0.00 0.00 55.97 54.45 2ccx s LYS 12 Cb -0.01 -2.30 -0.07 0.00 -1.51 0.00 0.00 37.83 33.94 2ccx s LYS 12 CO -0.03 0.23 1.37 0.99 -0.36 0.00 0.00 175.35 177.55 2ccx s THR 13 N 0.22 3.51 -0.08 3.43 2.01 -1.26 -1.27 115.64 122.19 2ccx s THR 13 Ca -0.14 1.05 -0.26 0.00 0.31 0.00 0.00 61.69 62.64 2ccx s THR 13 Cb -0.17 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2ccx s THR 13 CO 0.07 0.06 0.83 0.00 -0.69 0.00 0.00 174.62 174.89 2ccx s PRO 15 N 1.34 3.17 0.14 0.00 0.04 -1.25 -4.55 135.00 133.88 2ccx s PRO 15 Ca 0.42 1.26 -0.31 0.00 0.04 0.00 0.00 61.00 62.40 2ccx s PRO 15 Cb -0.18 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 2ccx s PRO 15 CO 0.19 -0.94 1.59 0.21 0.04 0.00 0.00 177.00 178.09 2ccx s LYS 16 N -4.09 4.21 0.00 4.56 2.20 -1.26 -1.30 119.74 124.06 2ccx s LYS 16 Ca 0.64 2.35 0.00 0.00 -0.36 0.00 0.00 55.97 58.61 2ccx s LYS 16 Cb -0.17 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 2ccx s LYS 16 CO 0.38 -0.64 0.00 0.41 -0.36 0.00 0.00 175.35 175.14 2ccx n GLY 17 N 3.82 0.73 2.20 5.54 0.00 -1.26 -4.95 105.19 111.27 2ccx n GLY 17 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 2ccx n GLY 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ccx n LYS 18 N -2.00 0.78 -2.37 1.61 4.81 -0.42 -4.55 118.16 116.02 2ccx n LYS 18 Ca 0.00 -3.27 -0.16 0.00 -0.87 0.00 0.00 58.31 54.01 2ccx n LYS 18 Cb 0.00 -1.27 0.03 0.00 0.02 0.00 0.00 35.03 33.81 2ccx n LYS 18 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2ccx n ASN 19 N 1.33 3.62 -4.44 3.14 4.13 -0.82 -3.87 115.26 118.35 2ccx n ASN 19 Ca 0.21 -3.13 -0.34 0.00 1.68 0.00 0.00 54.58 53.00 2ccx n ASN 19 Cb 0.53 -0.41 -0.13 0.00 -1.54 0.00 0.00 39.78 38.24 2ccx n ASN 19 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2ccx s LEU 20 N -3.63 3.15 -0.39 3.41 1.43 0.28 -4.82 118.68 118.11 2ccx s LEU 20 Ca 0.42 -0.22 -0.26 0.00 -1.03 0.00 0.00 54.13 53.04 2ccx s LEU 20 Cb 0.38 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.84 2ccx s LEU 20 CO -0.01 0.10 0.95 0.00 0.23 0.00 0.00 176.35 177.61 2ccx s TYR 22 N 3.59 3.24 -0.15 0.00 1.13 -0.84 -1.74 117.35 122.58 2ccx s TYR 22 Ca 0.39 0.04 -0.02 0.00 -1.41 0.00 0.00 57.07 56.07 2ccx s TYR 22 Cb -0.11 -1.58 0.05 0.00 -1.10 0.00 0.00 41.96 39.22 2ccx s TYR 22 CO 0.21 0.52 0.02 0.21 -2.51 0.00 0.00 175.55 173.99 2ccx s LYS 23 N -2.95 0.72 -0.51 -3.49 2.20 -0.18 -3.28 119.74 112.26 2ccx s LYS 23 Ca 0.31 -0.25 -0.08 0.00 -0.36 0.00 0.00 55.97 55.59 2ccx s LYS 23 Cb -0.11 -1.72 0.13 0.00 -1.51 0.00 0.00 37.83 34.62 2ccx s LYS 23 CO 0.24 -0.51 0.37 1.41 -0.36 0.00 0.00 175.35 176.51 2ccx s MET 24 N 1.88 2.52 0.12 4.03 -2.45 -0.54 -1.09 119.30 123.76 2ccx s MET 24 Ca 0.01 -1.91 0.04 0.00 -1.25 0.00 0.00 55.69 52.58 2ccx s MET 24 Cb -0.15 -3.91 -0.04 0.00 1.25 0.00 0.00 34.83 31.98 2ccx s MET 24 CO -0.07 -1.19 0.13 0.95 1.05 0.00 0.00 175.02 175.89 2ccx s THR 25 N 1.09 4.66 0.53 10.11 -4.23 -0.99 -2.81 115.64 124.00 2ccx s THR 25 Ca 0.08 -0.85 -0.14 0.00 -1.18 0.00 0.00 61.69 59.60 2ccx s THR 25 Cb -0.24 -3.31 -0.07 0.00 1.34 0.00 0.00 72.50 70.22 2ccx s THR 25 CO -0.02 0.02 0.97 -0.04 -0.54 0.00 0.00 174.62 175.01 2ccx s MET 26 N -2.76 3.83 0.10 3.99 -1.94 -1.26 -0.40 119.30 120.86 2ccx s MET 26 Ca 0.31 0.84 -0.09 0.00 -1.71 0.00 0.00 55.69 55.04 2ccx s MET 26 Cb -0.11 -2.15 -0.17 0.00 2.01 0.00 0.00 34.83 34.41 2ccx s MET 26 CO 0.24 -0.33 1.24 0.00 -0.01 0.00 0.00 175.02 176.15 2ccx h ARG 27 N 0.59 0.54 0.00 2.03 2.47 -1.25 -2.44 114.38 116.31 2ccx h ARG 27 Ca -0.46 -0.60 -0.04 0.00 -1.26 0.00 0.00 59.98 57.62 2ccx h ARG 27 Cb 1.19 0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 29.68 2ccx h ARG 27 CO 0.62 1.22 -0.18 0.00 0.56 0.00 0.00 179.97 182.19 2ccx h ALA 28 N 0.57 0.90 0.00 0.04 0.00 -1.90 -3.41 119.26 115.46 2ccx h ALA 28 Ca -0.11 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.44 2ccx h ALA 28 Cb 1.67 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 19.29 2ccx h ALA 28 CO 0.19 0.22 -0.39 0.00 0.00 0.00 0.00 179.25 179.27 2ccx n ALA 29 N -2.15 -1.65 -0.87 0.00 0.00 -1.25 -5.04 120.51 109.56 2ccx n ALA 29 Ca 0.03 -1.22 -0.27 0.00 0.00 0.00 0.00 53.44 51.98 2ccx n ALA 29 Cb 0.57 -1.63 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 2ccx n ALA 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ccx n PRO 30 N 1.30 2.14 -0.13 0.00 -0.04 -0.92 -4.01 135.00 133.34 2ccx n PRO 30 Ca 0.07 -1.60 -0.26 0.00 -0.04 0.00 0.00 63.50 61.66 2ccx n PRO 30 Cb 0.66 -2.57 -0.11 0.00 -0.04 0.00 0.00 33.50 31.44 2ccx n PRO 30 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2ccx n MET 31 N 4.63 0.61 -5.10 0.54 1.56 -1.26 -4.91 117.12 113.19 2ccx n MET 31 Ca 0.48 0.28 -0.32 0.00 -0.27 0.00 0.00 57.70 57.87 2ccx n MET 31 Cb 0.19 -1.54 -0.16 0.00 2.15 0.00 0.00 33.22 33.85 2ccx n MET 31 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 2ccx s VAL 32 N -2.49 2.34 -0.93 1.12 1.01 -1.26 -5.04 120.40 115.14 2ccx s VAL 32 Ca -0.36 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 60.45 2ccx s VAL 32 Cb 0.12 -1.92 -0.07 0.00 0.00 0.00 0.00 36.38 34.51 2ccx s VAL 32 CO 0.54 0.55 2.02 -2.16 0.00 0.00 0.00 175.10 176.05 2ccx s PRO 33 N 0.30 2.37 0.26 2.72 0.04 -1.26 -4.55 135.00 134.87 2ccx s PRO 33 Ca -0.16 -0.30 0.17 0.00 0.04 0.00 0.00 61.00 60.76 2ccx s PRO 33 Cb -0.17 -5.05 0.07 0.00 0.04 0.00 0.00 34.50 29.39 2ccx s PRO 33 CO 0.08 -3.68 1.32 -0.24 0.04 0.00 0.00 177.00 174.52 2ccx h VAL 34 N 7.16 0.56 -4.08 -0.36 3.04 -1.78 -3.41 116.25 117.38 2ccx h VAL 34 Ca 0.10 -1.84 -0.69 0.00 -1.01 0.00 0.00 66.70 63.26 2ccx h VAL 34 Cb 1.00 2.19 -0.28 0.00 -2.01 0.00 0.00 31.29 32.18 2ccx h VAL 34 CO 1.18 0.32 -0.84 -0.54 -1.01 0.00 0.00 177.57 176.68 2ccx s LYS 35 N -3.04 2.53 -0.30 4.17 -0.14 -1.25 -4.90 119.74 116.81 2ccx s LYS 35 Ca 0.03 -0.82 -0.15 0.00 -1.36 0.00 0.00 55.97 53.67 2ccx s LYS 35 Cb 0.07 -2.25 0.18 0.00 -1.68 0.00 0.00 37.83 34.16 2ccx s LYS 35 CO 0.75 0.48 1.14 0.50 -0.76 0.00 0.00 175.35 177.45 2ccx s ARG 36 N -0.38 0.06 0.00 1.68 3.52 -1.26 -1.47 118.95 121.10 2ccx s ARG 36 Ca 0.03 0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.69 2ccx s ARG 36 Cb -0.12 0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.30 2ccx s ARG 36 CO 0.02 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.81 2ccx n GLY 37 N 5.06 -0.67 3.91 8.12 0.00 -1.20 -4.39 105.19 116.02 2ccx n GLY 37 Ca 0.10 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 2ccx n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ccx s ILE 39 N -1.44 0.00 -0.03 0.00 2.07 0.87 -4.90 121.20 117.77 2ccx s ILE 39 Ca 0.32 -1.80 -0.07 0.00 -1.41 0.00 0.00 60.65 57.69 2ccx s ILE 39 Cb -0.13 -2.40 -0.04 0.00 0.13 0.00 0.00 42.46 40.02 2ccx s ILE 39 CO 0.23 0.00 0.41 0.44 -1.91 0.00 0.00 174.94 174.12 2ccx h ASP 40 N 2.49 -0.22 -3.32 4.50 5.19 -1.85 0.99 116.42 124.19 2ccx h ASP 40 Ca -0.33 0.01 -0.47 0.00 -0.62 0.00 0.00 57.03 55.62 2ccx h ASP 40 Cb 1.25 0.06 -0.16 0.00 0.18 0.00 0.00 39.33 40.66 2ccx h ASP 40 CO 0.47 0.06 -0.75 0.54 -3.12 0.00 0.00 179.24 176.44 2ccx s VAL 41 N -2.41 1.76 -0.41 -1.35 0.11 -1.26 -4.51 120.40 112.32 2ccx s VAL 41 Ca -0.04 -2.10 -0.41 0.00 -2.93 0.00 0.00 61.98 56.50 2ccx s VAL 41 Cb 0.00 -1.96 -0.16 0.00 -1.53 0.00 0.00 36.38 32.73 2ccx s VAL 41 CO 0.11 -0.50 2.00 0.00 -3.33 0.00 0.00 175.10 173.39 2ccx s PRO 43 N 5.16 3.20 -0.08 0.00 0.04 -1.26 -5.03 135.00 137.03 2ccx s PRO 43 Ca 1.11 1.62 -0.00 0.00 0.04 0.00 0.00 61.00 63.77 2ccx s PRO 43 Cb -1.23 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 2ccx s PRO 43 CO 0.63 -0.97 -0.06 0.15 0.04 0.00 0.00 177.00 176.79 2ccx s LYS 44 N -3.40 2.88 0.76 4.56 1.02 -1.26 -4.78 119.74 119.52 2ccx s LYS 44 Ca 0.73 -0.53 -0.12 0.00 0.02 0.00 0.00 55.97 56.07 2ccx s LYS 44 Cb -0.25 -2.65 0.06 0.00 -0.52 0.00 0.00 37.83 34.47 2ccx s LYS 44 CO 0.30 0.63 1.12 -1.12 -0.92 0.00 0.00 175.35 175.36 2ccx s SER 45 N -0.70 4.33 0.07 2.83 0.01 -1.26 -4.72 113.70 114.25 2ccx s SER 45 Ca 0.11 2.01 0.01 0.00 1.31 0.00 0.00 55.95 59.39 2ccx s SER 45 Cb -0.11 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.56 2ccx s SER 45 CO 0.02 -2.16 0.07 -1.54 0.41 0.00 0.00 173.24 170.03 2ccx n SER 46 N -3.25 -0.17 0.03 2.44 3.41 0.74 -4.95 113.62 111.87 2ccx n SER 46 Ca 0.11 -1.43 -0.19 0.00 -0.26 0.00 0.00 58.87 57.09 2ccx n SER 46 Cb 0.52 0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 64.73 2ccx n SER 46 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2ccx h LEU 47 N 0.00 0.74 0.00 1.04 7.12 -2.02 -3.32 115.31 118.86 2ccx h LEU 47 Ca -0.05 -0.76 -0.32 0.00 0.13 0.00 0.00 57.88 56.88 2ccx h LEU 47 Cb 0.24 -0.23 -0.06 0.00 -0.53 0.00 0.00 40.66 40.09 2ccx h LEU 47 CO 0.07 1.40 -1.95 0.00 -0.13 0.00 0.00 178.44 177.83 2ccx n LEU 48 N -4.02 0.59 -4.12 2.25 -0.00 -1.26 -4.74 117.00 105.71 2ccx n LEU 48 Ca -0.11 0.27 -0.27 0.00 -0.00 0.00 0.00 56.01 55.90 2ccx n LEU 48 Cb 0.80 0.27 -0.16 0.00 -0.00 0.00 0.00 43.42 44.32 2ccx n LEU 48 CO 0.52 0.43 -0.50 -0.63 -0.00 0.00 0.00 177.39 177.21 2ccx s ILE 49 N -2.56 1.47 0.09 1.47 1.01 -1.25 -0.79 121.20 120.64 2ccx s ILE 49 Ca -0.07 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 2ccx s ILE 49 Cb 0.07 -1.29 -0.05 0.00 0.01 0.00 0.00 42.46 41.20 2ccx s ILE 49 CO 0.83 0.43 0.35 -0.75 0.00 0.00 0.00 174.94 175.79 2ccx s LYS 50 N 0.29 3.64 0.13 2.79 2.20 0.46 -0.19 119.74 129.07 2ccx s LYS 50 Ca -0.10 -0.03 0.07 0.00 -0.36 0.00 0.00 55.97 55.55 2ccx s LYS 50 Cb -0.14 -2.95 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 2ccx s LYS 50 CO 0.04 0.54 -0.17 0.71 -0.36 0.00 0.00 175.35 176.11 2ccx s TYR 51 N -1.49 1.62 0.10 4.03 2.02 -1.26 -2.35 117.35 120.02 2ccx s TYR 51 Ca 0.35 -0.49 0.03 0.00 -0.37 0.00 0.00 57.07 56.59 2ccx s TYR 51 Cb -0.13 -0.84 -0.04 0.00 -0.40 0.00 0.00 41.96 40.55 2ccx s TYR 51 CO 0.21 0.22 -0.08 -1.64 -1.57 0.00 0.00 175.55 172.69 2ccx s MET 52 N -2.51 0.82 0.08 -0.62 -1.94 -0.25 -4.67 119.30 110.21 2ccx s MET 52 Ca 0.10 -1.23 0.04 0.00 -1.71 0.00 0.00 55.69 52.89 2ccx s MET 52 Cb -0.07 -0.34 -0.03 0.00 2.01 0.00 0.00 34.83 36.40 2ccx s MET 52 CO 0.05 0.03 -0.10 0.00 -0.01 0.00 0.00 175.02 174.98 2ccx s ASN 55 N -3.23 0.22 -0.01 0.00 4.22 -1.26 -1.45 114.94 113.43 2ccx s ASN 55 Ca 0.18 -1.55 -0.23 0.00 -2.14 0.00 0.00 52.86 49.12 2ccx s ASN 55 Cb -0.03 0.97 0.05 0.00 1.28 0.00 0.00 41.25 43.51 2ccx s ASN 55 CO 0.07 -0.20 0.50 0.42 -2.04 0.00 0.00 177.10 175.85 2ccx s THR 56 N 1.33 0.03 -0.19 0.54 -4.23 -1.26 -5.03 115.64 106.83 2ccx s THR 56 Ca 0.20 -0.25 -0.31 0.00 -1.18 0.00 0.00 61.69 60.15 2ccx s THR 56 Cb -0.09 -0.85 -0.08 0.00 1.34 0.00 0.00 72.50 72.82 2ccx s THR 56 CO -0.05 -0.14 2.14 -3.20 -0.54 0.00 0.00 174.62 172.83 2ccx n ASN 57 N 0.93 3.22 -3.62 3.99 2.85 -1.26 -1.15 115.26 120.21 2ccx n ASN 57 Ca -0.20 0.45 -0.27 0.00 -0.11 0.00 0.00 54.58 54.46 2ccx n ASN 57 Cb 0.57 -1.47 0.04 0.00 1.24 0.00 0.00 39.78 40.16 2ccx n ASN 57 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2ccx n LYS 58 N 8.19 -5.87 -0.34 1.20 5.02 0.26 -4.86 118.16 121.75 2ccx n LYS 58 Ca 0.30 0.70 0.13 0.00 -2.02 0.00 0.00 58.31 57.41 2ccx n LYS 58 Cb 0.38 -5.61 0.31 0.00 -0.02 0.00 0.00 35.03 30.09 2ccx n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88