#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 0.20 0.17 1.96 1.02 -1.26 -3.05 119.74 118.79 2ccx s LYS 2 Ca 0.00 -0.16 -0.18 0.00 0.02 0.00 0.00 55.97 55.65 2ccx s LYS 2 Cb 0.00 0.08 0.04 0.00 -0.52 0.00 0.00 37.83 37.43 2ccx s LYS 2 CO 0.00 -0.04 0.51 0.00 -0.92 0.00 0.00 175.35 174.90 2ccx s ASN 4 N -2.84 7.05 0.14 0.00 0.01 -1.26 -3.44 114.94 114.60 2ccx s ASN 4 Ca 0.06 1.85 0.09 0.00 -0.71 0.00 0.00 52.86 54.15 2ccx s ASN 4 Cb -0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 2ccx s ASN 4 CO -0.07 -0.28 -0.18 -1.10 -1.51 0.00 0.00 177.10 173.96 2ccx s GLN 5 N -2.52 1.76 0.00 -0.60 -0.21 -1.26 -4.28 119.66 112.55 2ccx s GLN 5 Ca 0.56 -1.25 0.00 0.00 0.02 0.00 0.00 55.36 54.69 2ccx s GLN 5 Cb -0.17 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 31.77 2ccx s GLN 5 CO 0.21 0.46 0.00 1.28 -2.12 0.00 0.00 175.29 175.13 2ccx n LEU 6 N 0.64 0.00 -0.01 2.90 4.77 -1.26 -3.82 117.00 120.22 2ccx n LEU 6 Ca -0.15 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.72 2ccx n LEU 6 Cb 0.53 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 2ccx n LEU 6 CO 0.29 0.00 0.39 0.40 -1.33 0.00 0.00 177.39 177.14 2ccx h ILE 7 N 0.00 1.18 -4.31 -0.08 1.08 -1.97 -3.48 117.51 109.94 2ccx h ILE 7 Ca 0.00 -1.54 -0.51 0.00 -0.39 0.00 0.00 64.86 62.42 2ccx h ILE 7 Cb 0.00 2.09 0.11 0.00 -3.07 0.00 0.00 36.82 35.95 2ccx h ILE 7 CO 0.00 0.35 0.34 -2.16 -0.69 0.00 0.00 178.15 175.99 2ccx s PRO 8 N -2.95 2.61 0.00 2.37 0.04 -1.25 -4.94 135.00 130.88 2ccx s PRO 8 Ca -0.14 1.11 0.28 0.00 0.04 0.00 0.00 61.00 62.29 2ccx s PRO 8 Cb -0.01 -1.94 1.49 0.00 0.04 0.00 0.00 34.50 34.08 2ccx s PRO 8 CO 0.53 -1.37 1.99 -0.35 0.04 0.00 0.00 177.00 177.85 2ccx n PRO 9 N -3.21 0.50 -0.46 0.56 -0.04 -1.26 -4.24 135.00 126.84 2ccx n PRO 9 Ca 0.09 0.02 -0.40 0.00 -0.04 0.00 0.00 63.50 63.16 2ccx n PRO 9 Cb 0.53 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 2ccx n PRO 9 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2ccx n PHE 10 N -1.23 0.00 -1.84 0.54 -1.74 -1.26 -4.82 117.46 107.12 2ccx n PHE 10 Ca 0.15 -0.49 -0.32 0.00 -0.56 0.00 0.00 57.45 56.22 2ccx n PHE 10 Cb 0.20 -0.73 0.03 0.00 1.52 0.00 0.00 39.48 40.50 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 6.75 2.84 0.20 2.97 1.48 -1.26 -4.68 118.94 127.24 2ccx s TRP 11 Ca 0.62 1.52 0.03 0.00 -1.06 0.00 0.00 56.10 57.21 2ccx s TRP 11 Cb 0.13 -3.05 -0.05 0.00 -1.16 0.00 0.00 33.47 29.34 2ccx s TRP 11 CO 0.31 -1.38 -0.02 -1.59 -4.06 0.00 0.00 176.95 170.21 2ccx s LYS 12 N -4.24 1.24 0.36 3.25 -2.85 -1.22 -4.98 119.74 111.29 2ccx s LYS 12 Ca 0.64 -1.60 -0.14 0.00 -1.00 0.00 0.00 55.97 53.87 2ccx s LYS 12 Cb -0.17 -0.55 -0.08 0.00 -2.06 0.00 0.00 37.83 34.96 2ccx s LYS 12 CO 0.42 -0.07 0.76 0.99 0.10 0.00 0.00 175.35 177.55 2ccx s THR 13 N -3.45 4.70 0.00 3.79 2.01 -1.26 -3.51 115.64 117.92 2ccx s THR 13 Ca 0.25 0.87 0.05 0.00 0.31 0.00 0.00 61.69 63.18 2ccx s THR 13 Cb 0.05 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 2ccx s THR 13 CO 0.06 -0.31 -0.14 0.00 -0.69 0.00 0.00 174.62 173.54 2ccx s PRO 15 N -1.20 0.68 0.21 0.00 0.04 -1.25 -4.74 135.00 128.75 2ccx s PRO 15 Ca 0.14 0.36 -0.30 0.00 0.04 0.00 0.00 61.00 61.24 2ccx s PRO 15 Cb -0.11 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 2ccx s PRO 15 CO 0.04 -2.52 1.18 0.21 0.04 0.00 0.00 177.00 175.95 2ccx s LYS 16 N -5.14 4.51 0.00 4.56 2.20 -1.26 -2.07 119.74 122.54 2ccx s LYS 16 Ca 0.65 1.88 0.00 0.00 -0.36 0.00 0.00 55.97 58.14 2ccx s LYS 16 Cb -0.16 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2ccx s LYS 16 CO 0.55 -0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 2ccx n GLY 17 N 1.90 2.14 3.25 5.54 0.00 -1.26 -4.88 105.19 111.87 2ccx n GLY 17 Ca 0.03 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 2.36 -2.37 1.61 4.81 -0.88 -4.30 118.16 119.39 2ccx n LYS 18 Ca 0.00 -2.59 0.01 0.00 -0.87 0.00 0.00 58.31 54.86 2ccx n LYS 18 Cb 0.00 -3.36 0.04 0.00 0.02 0.00 0.00 35.03 31.73 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 8.94 1.47 -4.38 3.14 4.13 -0.74 -3.80 115.26 124.02 2ccx n ASN 19 Ca 0.49 -2.07 -0.34 0.00 1.68 0.00 0.00 54.58 54.34 2ccx n ASN 19 Cb 0.43 -0.42 -0.14 0.00 -1.54 0.00 0.00 39.78 38.11 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 -2.60 2.95 -0.14 3.41 1.43 0.41 -4.80 118.68 119.33 2ccx s LEU 20 Ca 0.30 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 52.88 2ccx s LEU 20 Cb 0.34 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 2ccx s LEU 20 CO -0.08 0.08 0.62 0.00 0.23 0.00 0.00 176.35 177.20 2ccx s TYR 22 N 1.32 1.51 -0.15 0.00 -0.85 0.30 -1.96 117.35 117.52 2ccx s TYR 22 Ca 0.31 -0.51 -0.03 0.00 -0.52 0.00 0.00 57.07 56.32 2ccx s TYR 22 Cb -0.16 -0.79 0.05 0.00 0.38 0.00 0.00 41.96 41.43 2ccx s TYR 22 CO 0.13 0.18 0.04 -1.59 -1.52 0.00 0.00 175.55 172.78 2ccx s LYS 23 N -2.47 0.50 -0.52 -3.49 -2.85 -1.24 -1.65 119.74 108.02 2ccx s LYS 23 Ca 0.08 -0.19 -0.26 0.00 -1.00 0.00 0.00 55.97 54.60 2ccx s LYS 23 Cb -0.06 -1.71 0.03 0.00 -2.06 0.00 0.00 37.83 34.02 2ccx s LYS 23 CO 0.04 -0.55 1.04 1.41 0.10 0.00 0.00 175.35 177.39 2ccx s MET 24 N 1.95 3.50 0.41 1.78 -2.45 0.37 -3.50 119.30 121.36 2ccx s MET 24 Ca 0.01 0.13 0.07 0.00 -1.25 0.00 0.00 55.69 54.65 2ccx s MET 24 Cb -0.15 -3.99 -0.05 0.00 1.25 0.00 0.00 34.83 31.88 2ccx s MET 24 CO -0.07 -1.46 0.16 0.95 1.05 0.00 0.00 175.02 175.65 2ccx s THR 25 N 4.27 2.25 0.08 10.11 -4.23 0.35 -1.40 115.64 127.07 2ccx s THR 25 Ca 0.39 -1.74 -0.06 0.00 -1.18 0.00 0.00 61.69 59.10 2ccx s THR 25 Cb -0.10 -2.98 -0.05 0.00 1.34 0.00 0.00 72.50 70.71 2ccx s THR 25 CO 0.25 0.00 0.34 -0.04 -0.54 0.00 0.00 174.62 174.63 2ccx s MET 26 N -3.88 3.63 0.14 3.99 -1.94 -1.26 -0.27 119.30 119.71 2ccx s MET 26 Ca 0.40 -0.04 -0.09 0.00 -1.71 0.00 0.00 55.69 54.25 2ccx s MET 26 Cb 0.05 -2.96 -0.04 0.00 2.01 0.00 0.00 34.83 33.88 2ccx s MET 26 CO 0.22 0.55 1.42 -0.09 -0.01 0.00 0.00 175.02 177.10 2ccx h ARG 27 N 3.39 0.76 -0.17 2.03 9.65 -1.24 -2.97 114.38 125.84 2ccx h ARG 27 Ca -0.48 -0.51 -0.07 0.00 -1.10 0.00 0.00 59.98 57.82 2ccx h ARG 27 Cb 1.18 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.82 2ccx h ARG 27 CO 0.69 1.14 -0.20 0.00 2.80 0.00 0.00 179.97 184.40 2ccx h ALA 28 N 0.75 1.36 -0.07 2.80 0.00 -1.84 -3.41 119.26 118.86 2ccx h ALA 28 Ca -0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 2ccx h ALA 28 Cb 1.19 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.75 2ccx h ALA 28 CO 0.12 0.44 -0.16 0.00 0.00 0.00 0.00 179.25 179.65 2ccx n ALA 29 N -2.48 -3.10 -0.88 0.00 0.00 -1.26 -5.05 120.51 107.74 2ccx n ALA 29 Ca -0.01 -0.50 -0.27 0.00 0.00 0.00 0.00 53.44 52.66 2ccx n ALA 29 Cb 0.33 -2.79 -0.02 0.00 0.00 0.00 0.00 19.45 16.96 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 1.76 2.13 0.05 0.00 -0.04 -1.12 -4.29 135.00 133.48 2ccx n PRO 30 Ca 0.05 -1.61 -0.20 0.00 -0.04 0.00 0.00 63.50 61.70 2ccx n PRO 30 Cb 0.68 -2.58 -0.14 0.00 -0.04 0.00 0.00 33.50 31.41 2ccx n PRO 30 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 2ccx h MET 31 N 6.48 0.30 -4.82 0.54 4.05 -1.97 -3.47 114.93 116.04 2ccx h MET 31 Ca 0.51 -0.51 -0.56 0.00 -0.28 0.00 0.00 59.70 58.87 2ccx h MET 31 Cb 0.27 0.19 -0.33 0.00 -0.80 0.00 0.00 31.60 30.93 2ccx h MET 31 CO 1.57 1.18 -0.83 0.08 0.23 0.00 0.00 176.91 179.14 2ccx s VAL 32 N -2.58 1.40 -0.57 -5.77 1.01 -1.26 -5.07 120.40 107.55 2ccx s VAL 32 Ca -0.15 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 60.92 2ccx s VAL 32 Cb 0.06 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 2ccx s VAL 32 CO 0.83 0.41 1.88 -2.16 0.00 0.00 0.00 175.10 176.07 2ccx s PRO 33 N 0.52 2.68 0.29 2.72 0.04 -1.26 -4.54 135.00 135.45 2ccx s PRO 33 Ca -0.15 0.76 0.19 0.00 0.04 0.00 0.00 61.00 61.84 2ccx s PRO 33 Cb -0.16 -4.38 0.11 0.00 0.04 0.00 0.00 34.50 30.12 2ccx s PRO 33 CO 0.05 -2.66 1.34 -0.24 0.04 0.00 0.00 177.00 175.53 2ccx h VAL 34 N 6.93 0.37 -3.92 -0.36 3.04 -1.62 -3.44 116.25 117.25 2ccx h VAL 34 Ca -0.27 -1.57 -0.21 0.00 -1.01 0.00 0.00 66.70 63.64 2ccx h VAL 34 Cb 1.17 2.07 -0.15 0.00 -2.01 0.00 0.00 31.29 32.37 2ccx h VAL 34 CO 1.19 0.21 -0.69 -0.75 -1.01 0.00 0.00 177.57 176.53 2ccx s LYS 35 N -3.11 0.83 -0.13 4.17 2.47 -1.16 -5.02 119.74 117.80 2ccx s LYS 35 Ca 0.03 -1.34 -0.30 0.00 -1.56 0.00 0.00 55.97 52.80 2ccx s LYS 35 Cb 0.07 -0.11 0.12 0.00 -1.46 0.00 0.00 37.83 36.45 2ccx s LYS 35 CO 0.74 -0.06 0.98 1.03 0.16 0.00 0.00 175.35 178.19 2ccx s ARG 36 N -3.87 0.64 0.00 4.03 0.52 -1.26 -0.48 118.95 118.53 2ccx s ARG 36 Ca 0.13 0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.38 2ccx s ARG 36 Cb 0.06 0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.83 2ccx s ARG 36 CO -0.04 -0.22 0.00 0.41 0.02 0.00 0.00 175.30 175.46 2ccx n GLY 37 N 0.48 -0.15 3.93 -3.53 0.00 -0.66 -4.46 105.19 100.81 2ccx n GLY 37 Ca -0.10 -1.32 -0.25 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.74 0.00 -0.04 0.00 2.07 0.18 -4.86 121.20 115.81 2ccx s ILE 39 Ca 0.50 -1.30 -0.12 0.00 -1.41 0.00 0.00 60.65 58.32 2ccx s ILE 39 Cb -0.10 -2.27 -0.07 0.00 0.13 0.00 0.00 42.46 40.15 2ccx s ILE 39 CO 0.42 0.00 0.53 0.44 -1.91 0.00 0.00 174.94 174.42 2ccx h ASP 40 N 2.16 -0.36 -3.41 4.50 5.19 -1.85 0.14 116.42 122.78 2ccx h ASP 40 Ca -0.25 0.01 -0.48 0.00 -0.62 0.00 0.00 57.03 55.69 2ccx h ASP 40 Cb 1.25 0.09 -0.16 0.00 0.18 0.00 0.00 39.33 40.69 2ccx h ASP 40 CO 0.33 0.03 -0.76 0.54 -3.12 0.00 0.00 179.24 176.27 2ccx s VAL 41 N -2.96 1.75 -0.40 -1.35 0.11 -1.26 -4.53 120.40 111.76 2ccx s VAL 41 Ca -0.06 -2.05 -0.40 0.00 -2.93 0.00 0.00 61.98 56.54 2ccx s VAL 41 Cb 0.01 -1.92 -0.15 0.00 -1.53 0.00 0.00 36.38 32.79 2ccx s VAL 41 CO 0.19 -0.46 2.08 0.00 -3.33 0.00 0.00 175.10 173.58 2ccx s PRO 43 N 5.58 2.20 -0.14 0.00 0.04 -1.26 -4.97 135.00 136.45 2ccx s PRO 43 Ca 1.12 1.27 -0.07 0.00 0.04 0.00 0.00 61.00 63.35 2ccx s PRO 43 Cb -1.16 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 2ccx s PRO 43 CO 0.60 -1.70 0.11 0.15 0.04 0.00 0.00 177.00 176.19 2ccx s LYS 44 N -4.71 3.56 0.51 4.56 3.01 -1.26 -4.87 119.74 120.53 2ccx s LYS 44 Ca 0.63 -0.22 0.04 0.00 -1.01 0.00 0.00 55.97 55.42 2ccx s LYS 44 Cb -0.19 -3.17 0.03 0.00 -1.01 0.00 0.00 37.83 33.50 2ccx s LYS 44 CO 0.54 0.62 0.70 -1.12 0.51 0.00 0.00 175.35 176.60 2ccx s SER 45 N -0.60 5.38 0.00 2.83 0.01 -1.26 -4.89 113.70 115.16 2ccx s SER 45 Ca 0.12 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2ccx s SER 45 Cb -0.12 -0.69 0.00 0.00 0.21 0.00 0.00 66.02 65.42 2ccx s SER 45 CO 0.02 -1.03 0.00 -1.54 0.41 0.00 0.00 173.24 171.10 2ccx n SER 46 N -2.16 0.00 0.05 2.44 3.41 -0.08 -4.94 113.62 112.33 2ccx n SER 46 Ca 0.09 -0.43 -0.20 0.00 -0.26 0.00 0.00 58.87 58.06 2ccx n SER 46 Cb 0.60 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.43 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 0.87 -0.02 1.04 7.12 -2.03 -3.26 115.31 119.03 2ccx h LEU 47 Ca 0.00 -0.76 -0.02 0.00 0.13 0.00 0.00 57.88 57.23 2ccx h LEU 47 Cb 0.00 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 39.86 2ccx h LEU 47 CO 0.00 1.53 -0.07 -0.07 -0.13 0.00 0.00 178.44 179.70 2ccx h LEU 48 N 0.32 0.09 -9.70 2.25 3.38 -1.98 -3.41 115.31 106.26 2ccx h LEU 48 Ca -0.14 -0.64 -0.65 0.00 0.09 0.00 0.00 57.88 56.54 2ccx h LEU 48 Cb 1.71 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 42.36 2ccx h LEU 48 CO 0.20 0.72 -0.52 -0.63 0.09 0.00 0.00 178.44 178.31 2ccx s ILE 49 N -3.64 5.23 0.02 1.22 -1.09 -1.23 -0.87 121.20 120.83 2ccx s ILE 49 Ca -0.16 -0.17 0.06 0.00 -2.23 0.00 0.00 60.65 58.15 2ccx s ILE 49 Cb 0.01 -3.39 -0.02 0.00 -1.58 0.00 0.00 42.46 37.48 2ccx s ILE 49 CO 0.70 0.39 -0.19 -0.75 -1.23 0.00 0.00 174.94 173.86 2ccx s LYS 50 N -1.70 1.38 0.18 2.79 2.20 0.63 -0.91 119.74 124.31 2ccx s LYS 50 Ca 0.24 -0.78 0.08 0.00 -0.36 0.00 0.00 55.97 55.15 2ccx s LYS 50 Cb -0.12 -1.40 -0.04 0.00 -1.51 0.00 0.00 37.83 34.75 2ccx s LYS 50 CO 0.14 0.37 -0.17 0.71 -0.36 0.00 0.00 175.35 176.04 2ccx s TYR 51 N -0.63 1.80 -0.24 4.03 1.51 -1.26 -0.50 117.35 122.07 2ccx s TYR 51 Ca 0.07 -0.49 -0.03 0.00 -1.01 0.00 0.00 57.07 55.61 2ccx s TYR 51 Cb -0.08 -0.88 0.08 0.00 -0.11 0.00 0.00 41.96 40.97 2ccx s TYR 51 CO 0.01 0.35 0.07 -1.64 -1.11 0.00 0.00 175.55 173.22 2ccx s MET 52 N -3.01 0.55 0.47 -0.62 -1.94 -1.23 -5.00 119.30 108.52 2ccx s MET 52 Ca 0.18 -0.58 -0.04 0.00 -1.71 0.00 0.00 55.69 53.53 2ccx s MET 52 Cb -0.05 -1.90 -0.03 0.00 2.01 0.00 0.00 34.83 34.86 2ccx s MET 52 CO 0.07 -0.80 0.76 0.00 -0.01 0.00 0.00 175.02 175.04 2ccx s ASN 55 N -3.23 0.06 -0.07 0.00 2.20 -1.26 -1.39 114.94 111.25 2ccx s ASN 55 Ca 0.18 -1.98 -0.29 0.00 -0.94 0.00 0.00 52.86 49.83 2ccx s ASN 55 Cb -0.03 0.89 0.10 0.00 -2.00 0.00 0.00 41.25 40.21 2ccx s ASN 55 CO 0.06 -0.15 0.87 0.42 -2.94 0.00 0.00 177.10 175.36 2ccx s THR 56 N 0.89 0.00 -0.24 0.54 -4.23 -1.26 -5.06 115.64 106.27 2ccx s THR 56 Ca 0.26 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.49 2ccx s THR 56 Cb -0.04 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 2ccx s THR 56 CO -0.09 0.00 2.09 0.21 -0.54 0.00 0.00 174.62 176.29 2ccx s ASN 57 N -1.68 5.61 -1.35 3.99 2.47 -1.26 -2.78 114.94 119.94 2ccx s ASN 57 Ca -0.01 1.74 -0.04 0.00 0.42 0.00 0.00 52.86 54.96 2ccx s ASN 57 Cb -0.01 -2.52 0.02 0.00 -1.45 0.00 0.00 41.25 37.30 2ccx s ASN 57 CO -0.01 -1.86 0.84 0.29 -3.72 0.00 0.00 177.10 172.64 2ccx n LYS 58 N 8.63 -5.55 0.00 0.43 5.02 -1.08 -4.88 118.16 120.73 2ccx n LYS 58 Ca 0.27 0.66 0.14 0.00 -2.02 0.00 0.00 58.31 57.37 2ccx n LYS 58 Cb 0.45 -5.40 0.61 0.00 -0.02 0.00 0.00 35.03 30.67 2ccx n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88