#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqm n THR 2 N 0.00 0.00 -1.48 0.00 5.66 -1.24 -4.84 114.28 112.38 1rqm n THR 2 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1rqm n THR 2 Cb 0.00 -1.92 0.00 0.00 -1.55 0.00 0.00 70.33 66.86 1rqm n THR 2 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 1rqm n MET 3 N -0.62 0.00 -4.18 1.09 -0.00 -1.02 -3.71 117.12 108.68 1rqm n MET 3 Ca 0.00 -0.15 -0.12 0.00 -0.00 0.00 0.00 57.70 57.44 1rqm n MET 3 Cb 0.00 -0.26 -0.10 0.00 -0.00 0.00 0.00 33.22 32.86 1rqm n MET 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1rqm s THR 4 N 0.00 0.80 0.21 3.17 2.01 -1.26 -0.49 115.64 120.08 1rqm s THR 4 Ca 0.00 -1.87 -0.01 0.00 0.31 0.00 0.00 61.69 60.12 1rqm s THR 4 Cb 0.00 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1rqm s THR 4 CO 0.00 -0.79 0.15 -0.76 -0.69 0.00 0.00 174.62 172.53 1rqm s LEU 5 N -2.91 1.15 0.34 4.42 1.43 -1.24 -4.57 118.68 117.30 1rqm s LEU 5 Ca 0.11 -1.39 0.04 0.00 -1.03 0.00 0.00 54.13 51.86 1rqm s LEU 5 Cb 0.03 0.43 -0.07 0.00 0.03 0.00 0.00 46.19 46.61 1rqm s LEU 5 CO -0.03 -0.86 0.05 0.42 0.23 0.00 0.00 176.35 176.16 1rqm s THR 6 N -4.12 1.29 0.12 5.49 -4.23 -1.26 -4.88 115.64 108.05 1rqm s THR 6 Ca 0.39 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.62 1rqm s THR 6 Cb 0.07 -2.82 -0.07 0.00 1.34 0.00 0.00 72.50 71.02 1rqm s THR 6 CO 0.13 0.00 1.61 -2.24 -0.54 0.00 0.00 174.62 173.58 1rqm h ASP 7 N 2.06 -0.96 -0.16 3.99 2.03 -1.94 0.57 116.42 122.02 1rqm h ASP 7 Ca -0.41 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 1rqm h ASP 7 Cb 1.24 0.38 -0.01 0.00 -0.83 0.00 0.00 39.33 40.11 1rqm h ASP 7 CO 0.71 -0.40 0.10 0.00 -1.03 0.00 0.00 179.24 178.62 1rqm h ALA 8 N 0.18 0.20 0.00 4.15 0.00 -1.98 -2.82 119.26 119.00 1rqm h ALA 8 Ca 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rqm h ALA 8 Cb 0.57 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1rqm h ALA 8 CO -0.24 -0.31 -0.02 -0.97 0.00 0.00 0.00 179.25 177.72 1rqm h ASN 9 N 0.20 0.00 0.52 0.00 -0.00 -1.93 -0.91 115.58 113.46 1rqm h ASN 9 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.33 1rqm h ASN 9 Cb -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.31 1rqm h ASN 9 CO -0.01 0.02 -0.30 0.15 -0.00 0.00 0.00 177.43 177.28 1rqm h PHE 10 N 0.00 -0.80 -0.30 0.67 3.57 -0.61 0.71 116.94 120.17 1rqm h PHE 10 Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1rqm h PHE 10 Cb 0.77 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1rqm h PHE 10 CO 0.00 -0.46 0.17 0.37 -2.23 0.00 0.00 178.31 176.17 1rqm h GLN 11 N -0.76 0.41 0.00 1.11 -0.00 -1.56 -0.43 115.11 113.88 1rqm h GLN 11 Ca -0.07 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.54 1rqm h GLN 11 Cb 0.61 -0.08 -0.00 0.00 0.00 0.00 0.00 27.48 28.00 1rqm h GLN 11 CO 0.08 0.33 -0.00 1.96 0.00 0.00 0.00 178.83 181.20 1rqm h GLN 12 N 0.38 0.00 0.00 1.69 4.20 -1.12 -0.60 115.11 119.66 1rqm h GLN 12 Ca 0.11 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1rqm h GLN 12 Cb 0.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1rqm h GLN 12 CO -0.02 0.00 -0.14 0.00 -0.67 0.00 0.00 178.83 178.00 1rqm h ALA 13 N 2.00 0.01 0.00 3.87 0.00 -0.70 -3.41 119.26 121.04 1rqm h ALA 13 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1rqm h ALA 13 Cb 0.36 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1rqm h ALA 13 CO 0.00 0.12 -0.00 -0.84 0.00 0.00 0.00 179.25 178.52 1rqm h ILE 14 N -1.00 0.01 -0.12 0.00 3.07 -0.51 -0.91 117.51 118.04 1rqm h ILE 14 Ca -0.01 -0.12 0.04 0.00 1.55 0.00 0.00 64.86 66.31 1rqm h ILE 14 Cb 0.29 1.12 -0.00 0.00 -0.27 0.00 0.00 36.82 37.95 1rqm h ILE 14 CO -0.01 0.00 0.16 0.06 -1.05 0.00 0.00 178.15 177.31 1rqm h GLN 15 N 0.00 0.00 0.00 0.16 3.07 -1.35 0.23 115.11 117.22 1rqm h GLN 15 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1rqm h GLN 15 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.68 1rqm h GLN 15 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.33 1rqm n GLY 16 N -1.35 1.02 0.94 0.06 0.00 -0.35 -4.31 105.19 101.20 1rqm n GLY 16 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1rqm n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rqm n ASP 17 N 0.00 0.00 0.00 1.61 -0.08 -1.24 -4.86 116.55 111.98 1rqm n ASP 17 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1rqm n ASP 17 Cb 0.00 0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.67 1rqm n ASP 17 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rqm n GLY 18 N -0.98 -0.20 3.57 0.27 0.00 -1.26 -4.97 105.19 101.61 1rqm n GLY 18 Ca 0.00 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.32 1rqm n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rqm s PRO 19 N -2.00 1.94 -0.21 1.61 0.04 -1.26 -4.03 135.00 131.09 1rqm s PRO 19 Ca 0.00 -0.49 -0.16 0.00 0.04 0.00 0.00 61.00 60.39 1rqm s PRO 19 Cb 0.00 -5.05 -0.04 0.00 0.04 0.00 0.00 34.50 29.45 1rqm s PRO 19 CO 0.00 -4.42 0.42 0.08 0.04 0.00 0.00 177.00 173.12 1rqm s VAL 20 N 13.36 5.18 0.07 -0.36 1.01 -1.01 -1.18 120.40 137.47 1rqm s VAL 20 Ca 0.77 0.73 0.09 0.00 0.00 0.00 0.00 61.98 63.57 1rqm s VAL 20 Cb -0.05 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1rqm s VAL 20 CO 0.11 0.22 -0.24 -1.48 0.00 0.00 0.00 175.10 173.71 1rqm s LEU 21 N 1.51 2.36 -0.22 3.92 2.34 0.12 -0.19 118.68 128.52 1rqm s LEU 21 Ca 0.19 -0.59 -0.01 0.00 0.06 0.00 0.00 54.13 53.77 1rqm s LEU 21 Cb -0.15 -1.35 0.07 0.00 -0.56 0.00 0.00 46.19 44.20 1rqm s LEU 21 CO 0.08 0.23 0.02 -0.69 -1.06 0.00 0.00 176.35 174.93 1rqm s VAL 22 N -0.94 0.88 -0.69 1.48 1.01 -0.26 -1.21 120.40 120.67 1rqm s VAL 22 Ca 0.14 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 60.98 1rqm s VAL 22 Cb -0.10 -1.36 0.05 0.00 0.00 0.00 0.00 36.38 34.97 1rqm s VAL 22 CO 0.05 -0.25 1.13 -0.62 0.00 0.00 0.00 175.10 175.41 1rqm s ASP 23 N 1.68 6.19 -0.50 3.32 2.15 0.66 -2.74 116.67 127.43 1rqm s ASP 23 Ca -0.01 -0.61 -0.29 0.00 0.43 0.00 0.00 52.55 52.07 1rqm s ASP 23 Cb -0.18 -2.50 0.02 0.00 -0.30 0.00 0.00 42.92 39.97 1rqm s ASP 23 CO -0.10 -1.63 1.24 -0.36 -0.17 0.00 0.00 175.17 174.15 1rqm s PHE 24 N 4.95 2.62 0.45 -5.34 0.08 0.43 -0.55 117.98 120.62 1rqm s PHE 24 Ca 0.30 0.61 0.03 0.00 0.12 0.00 0.00 56.93 57.99 1rqm s PHE 24 Cb -0.12 -4.43 -0.03 0.00 -0.57 0.00 0.00 43.02 37.87 1rqm s PHE 24 CO 0.14 -1.57 0.04 1.67 -0.10 0.00 0.00 175.22 175.40 1rqm s TRP 25 N 4.96 1.97 0.07 0.36 1.48 -0.67 -1.92 118.94 125.18 1rqm s TRP 25 Ca 0.50 -0.99 -0.23 0.00 -1.06 0.00 0.00 56.10 54.33 1rqm s TRP 25 Cb -0.09 -1.50 0.06 0.00 -1.16 0.00 0.00 33.47 30.78 1rqm s TRP 25 CO 0.30 0.12 0.55 0.00 -4.06 0.00 0.00 176.95 173.86 1rqm s ALA 26 N -2.97 -1.41 -0.65 2.67 0.00 -1.26 -0.37 121.76 117.78 1rqm s ALA 26 Ca 0.18 0.61 0.18 0.00 0.00 0.00 0.00 51.96 52.93 1rqm s ALA 26 Cb 0.04 0.47 0.80 0.00 0.00 0.00 0.00 23.12 24.43 1rqm s ALA 26 CO 0.10 -0.56 1.56 0.00 0.00 0.00 0.00 175.76 176.85 1rqm n ALA 27 N 0.25 1.50 0.78 0.00 0.00 -1.26 -1.95 120.51 119.83 1rqm n ALA 27 Ca -0.18 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.43 1rqm n ALA 27 Cb 0.61 -1.29 0.10 0.00 0.00 0.00 0.00 19.45 18.87 1rqm n ALA 27 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1rqm n TRP 28 N -1.95 0.17 -0.93 0.00 2.14 -1.26 -5.03 117.44 110.59 1rqm n TRP 28 Ca 0.02 0.05 -0.29 0.00 2.07 0.00 0.00 57.50 59.35 1rqm n TRP 28 Cb 0.16 -0.34 0.23 0.00 -0.81 0.00 0.00 31.31 30.55 1rqm n TRP 28 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1rqm n GLY 30 N -0.39 -0.24 0.29 0.00 0.00 -1.26 -4.80 105.19 98.80 1rqm n GLY 30 Ca 0.08 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.29 1rqm n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rqm h PRO 31 N 0.00 0.00 -0.52 1.61 0.13 -1.97 -1.99 132.00 129.26 1rqm h PRO 31 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.19 1rqm h PRO 31 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1rqm h PRO 31 CO 0.00 0.02 0.35 0.00 -0.23 0.00 0.00 178.00 178.14 1rqm n ARG 33 N -4.47 0.09 -0.02 0.00 0.00 -0.75 -0.61 116.66 110.89 1rqm n ARG 33 Ca 0.07 0.22 0.06 0.00 -0.00 0.00 0.00 57.85 58.20 1rqm n ARG 33 Cb 0.26 -1.63 -0.13 0.00 0.00 0.00 0.00 32.46 30.95 1rqm n ARG 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1rqm n MET 34 N -1.79 0.66 0.02 -0.14 0.00 -0.07 -4.43 117.12 111.37 1rqm n MET 34 Ca 0.04 -0.13 -0.21 0.00 0.00 0.00 0.00 57.70 57.40 1rqm n MET 34 Cb 0.27 -1.41 -0.14 0.00 0.00 0.00 0.00 33.22 31.94 1rqm n MET 34 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 1rqm h MET 35 N 0.00 0.25 -0.63 3.17 1.85 -0.81 -3.27 114.93 115.49 1rqm h MET 35 Ca -0.07 -0.43 0.13 0.00 -0.61 0.00 0.00 59.70 58.72 1rqm h MET 35 Cb 0.99 0.16 -0.10 0.00 0.43 0.00 0.00 31.60 33.07 1rqm h MET 35 CO 0.00 1.20 0.08 0.00 -0.40 0.00 0.00 176.91 177.80 1rqm h ALA 36 N -0.02 0.71 -0.09 0.39 0.00 -1.09 0.40 119.26 119.56 1rqm h ALA 36 Ca -0.24 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1rqm h ALA 36 Cb 1.68 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1rqm h ALA 36 CO 0.08 -0.36 -0.30 -1.00 0.00 0.00 0.00 179.25 177.67 1rqm h PRO 37 N 0.19 0.16 -0.67 0.00 0.13 -1.77 -2.09 132.00 127.94 1rqm h PRO 37 Ca 0.34 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 65.35 1rqm h PRO 37 Cb 0.54 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.63 1rqm h PRO 37 CO -0.48 0.45 0.17 -0.24 -0.23 0.00 0.00 178.00 177.67 1rqm h VAL 38 N 0.14 1.25 0.00 1.56 3.04 -0.75 -2.77 116.25 118.73 1rqm h VAL 38 Ca 0.02 -0.92 -0.00 0.00 -1.01 0.00 0.00 66.70 64.79 1rqm h VAL 38 Cb 0.61 0.55 -0.00 0.00 -2.01 0.00 0.00 31.29 30.45 1rqm h VAL 38 CO 0.04 0.35 -0.00 -0.07 -1.01 0.00 0.00 177.57 176.89 1rqm h LEU 39 N 1.00 0.00 -0.17 3.16 3.38 0.12 -1.68 115.31 121.12 1rqm h LEU 39 Ca 0.21 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 1rqm h LEU 39 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1rqm h LEU 39 CO -0.00 0.00 -0.18 -0.08 0.09 0.00 0.00 178.44 178.27 1rqm h GLU 40 N 0.00 0.42 -0.50 1.13 4.81 -1.09 0.15 114.58 119.50 1rqm h GLU 40 Ca -0.00 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 1rqm h GLU 40 Cb 0.46 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1rqm h GLU 40 CO 0.00 0.79 0.25 0.93 -0.73 0.00 0.00 179.01 180.26 1rqm h GLU 41 N 0.06 0.71 -0.58 1.92 5.08 -1.47 -2.40 114.58 117.90 1rqm h GLU 41 Ca 0.02 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1rqm h GLU 41 Cb 0.72 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1rqm h GLU 41 CO 0.04 0.58 0.32 0.35 -1.00 0.00 0.00 179.01 179.30 1rqm h PHE 42 N 0.66 0.58 -0.14 4.33 3.57 -1.23 -0.32 116.94 124.40 1rqm h PHE 42 Ca 0.17 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.74 1rqm h PHE 42 Cb 0.09 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 1rqm h PHE 42 CO -0.01 0.29 -0.24 0.00 -2.23 0.00 0.00 178.31 176.11 1rqm h ALA 43 N 1.30 -0.22 -0.36 2.41 0.00 -0.40 -2.45 119.26 119.55 1rqm h ALA 43 Ca 0.26 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1rqm h ALA 43 Cb 0.14 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1rqm h ALA 43 CO -0.16 -0.70 0.20 1.49 0.00 0.00 0.00 179.25 180.08 1rqm h GLU 44 N -0.31 0.40 -0.47 0.00 4.81 -1.15 -2.38 114.58 115.49 1rqm h GLU 44 Ca 0.10 -0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.45 1rqm h GLU 44 Cb 0.46 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1rqm h GLU 44 CO -0.31 0.27 0.46 0.00 -0.73 0.00 0.00 179.01 178.70 1rqm h ALA 45 N 1.16 2.23 0.00 2.92 0.00 -0.56 -0.90 119.26 124.11 1rqm h ALA 45 Ca 0.14 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1rqm h ALA 45 Cb 0.01 0.04 -0.23 0.00 0.00 0.00 0.00 17.79 17.61 1rqm h ALA 45 CO -0.07 -0.71 -0.81 -2.39 0.00 0.00 0.00 179.25 175.27 1rqm n HIS 46 N -3.82 0.00 0.00 0.00 1.44 -1.18 -5.03 115.22 106.62 1rqm n HIS 46 Ca 0.09 -0.88 0.00 0.00 -2.01 0.00 0.00 57.72 54.92 1rqm n HIS 46 Cb 0.66 -0.19 0.00 0.00 0.12 0.00 0.00 29.99 30.58 1rqm n HIS 46 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rqm n ALA 47 N -0.16 0.00 0.16 1.59 0.00 -0.34 -1.71 120.51 120.05 1rqm n ALA 47 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.58 1rqm n ALA 47 Cb 0.96 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.37 1rqm n ALA 47 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1rqm n ASP 48 N -2.70 1.76 0.12 0.00 5.75 -1.26 0.01 116.55 120.22 1rqm n ASP 48 Ca 0.00 -0.35 0.01 0.00 -0.01 0.00 0.00 54.79 54.43 1rqm n ASP 48 Cb 0.00 1.13 0.32 0.00 -1.03 0.00 0.00 41.12 41.55 1rqm n ASP 48 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1rqm h LYS 49 N 0.00 0.21 -4.87 0.11 3.64 -1.74 -3.46 116.57 110.46 1rqm h LYS 49 Ca 0.00 -0.07 -0.37 0.00 -1.27 0.00 0.00 60.65 58.94 1rqm h LYS 49 Cb 0.21 -0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 31.87 1rqm h LYS 49 CO 0.00 0.47 -0.59 0.14 -2.27 0.00 0.00 179.45 177.19 1rqm s VAL 50 N -4.45 0.45 -0.03 2.00 -7.23 -1.19 -4.80 120.40 105.16 1rqm s VAL 50 Ca -0.05 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.18 1rqm s VAL 50 Cb 0.15 -2.58 -0.01 0.00 0.56 0.00 0.00 36.38 34.49 1rqm s VAL 50 CO 0.75 0.00 -0.20 0.28 -0.31 0.00 0.00 175.10 175.62 1rqm s THR 51 N -3.72 1.59 0.17 5.32 -1.32 -0.32 -3.68 115.64 113.68 1rqm s THR 51 Ca 0.37 -0.84 0.06 0.00 -1.21 0.00 0.00 61.69 60.07 1rqm s THR 51 Cb 0.07 -1.34 -0.04 0.00 -1.51 0.00 0.00 72.50 69.68 1rqm s THR 51 CO 0.15 0.45 0.08 -0.69 -2.21 0.00 0.00 174.62 172.40 1rqm s VAL 52 N -0.26 4.16 -0.14 5.08 1.01 -1.24 -0.70 120.40 128.32 1rqm s VAL 52 Ca 0.02 -1.22 -0.12 0.00 0.00 0.00 0.00 61.98 60.67 1rqm s VAL 52 Cb -0.10 -3.11 0.04 0.00 0.00 0.00 0.00 36.38 33.21 1rqm s VAL 52 CO 0.01 -0.11 0.36 0.00 0.00 0.00 0.00 175.10 175.36 1rqm s ALA 53 N -1.74 -0.89 -0.06 5.51 0.00 -0.35 -2.44 121.76 121.80 1rqm s ALA 53 Ca 0.29 1.08 0.05 0.00 0.00 0.00 0.00 51.96 53.38 1rqm s ALA 53 Cb -0.10 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 1rqm s ALA 53 CO 0.21 -0.18 -0.20 -1.59 0.00 0.00 0.00 175.76 174.00 1rqm s LYS 54 N 0.42 2.60 -0.02 0.00 -2.85 0.36 -0.25 119.74 120.01 1rqm s LYS 54 Ca -0.02 -0.82 -0.06 0.00 -1.00 0.00 0.00 55.97 54.07 1rqm s LYS 54 Cb -0.04 -2.28 0.01 0.00 -2.06 0.00 0.00 37.83 33.46 1rqm s LYS 54 CO -0.02 0.45 0.14 -0.48 0.10 0.00 0.00 175.35 175.54 1rqm s LEU 55 N -0.31 1.53 -0.57 2.77 2.34 0.29 -3.60 118.68 121.13 1rqm s LEU 55 Ca 0.01 -0.04 -0.28 0.00 0.06 0.00 0.00 54.13 53.89 1rqm s LEU 55 Cb -0.13 0.60 0.01 0.00 -0.56 0.00 0.00 46.19 46.11 1rqm s LEU 55 CO 0.02 -0.26 1.49 0.21 -1.06 0.00 0.00 176.35 176.76 1rqm s ASN 56 N -0.88 5.99 0.54 1.48 2.47 -1.26 -1.68 114.94 121.61 1rqm s ASN 56 Ca -0.10 0.29 0.33 0.00 0.42 0.00 0.00 52.86 53.80 1rqm s ASN 56 Cb -0.05 -2.54 1.33 0.00 -1.45 0.00 0.00 41.25 38.53 1rqm s ASN 56 CO 0.01 -1.82 1.97 1.62 -3.72 0.00 0.00 177.10 175.16 1rqm h VAL 57 N 6.45 0.08 -0.72 -5.21 3.04 -0.99 -0.98 116.25 117.91 1rqm h VAL 57 Ca -0.27 -0.58 0.03 0.00 -1.01 0.00 0.00 66.70 64.87 1rqm h VAL 57 Cb 1.10 1.53 -0.04 0.00 -2.01 0.00 0.00 31.29 31.87 1rqm h VAL 57 CO 1.18 0.03 0.45 -0.78 -1.01 0.00 0.00 177.57 177.45 1rqm h ASP 58 N 0.00 0.75 0.79 3.17 3.58 -1.91 -3.25 116.42 119.56 1rqm h ASP 58 Ca -0.00 -0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.29 1rqm h ASP 58 Cb 0.53 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 1rqm h ASP 58 CO 0.00 0.53 -1.31 -0.08 -2.88 0.00 0.00 179.24 175.50 1rqm h GLU 59 N 0.89 0.00 -3.71 0.28 4.81 -1.62 -3.37 114.58 111.86 1rqm h GLU 59 Ca 0.28 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.76 1rqm h GLU 59 Cb -0.00 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 29.08 1rqm h GLU 59 CO -0.10 0.29 -0.10 1.21 -0.73 0.00 0.00 179.01 179.58 1rqm s ASN 60 N -5.81 6.11 0.13 1.04 2.47 -0.56 -4.89 114.94 113.43 1rqm s ASN 60 Ca -0.02 -2.78 0.25 0.00 0.42 0.00 0.00 52.86 50.73 1rqm s ASN 60 Cb 0.09 -2.06 0.95 0.00 -1.45 0.00 0.00 41.25 38.77 1rqm s ASN 60 CO 0.80 -0.48 1.77 -0.81 -3.72 0.00 0.00 177.10 174.66 1rqm n PRO 61 N 3.74 0.14 -2.35 0.43 -0.04 -1.25 -4.55 135.00 131.11 1rqm n PRO 61 Ca 0.11 0.19 -0.42 0.00 -0.04 0.00 0.00 63.50 63.34 1rqm n PRO 61 Cb 0.43 -1.68 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 1rqm n PRO 61 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1rqm s GLU 62 N -3.09 4.39 0.00 0.54 -6.30 -1.26 -1.76 118.70 111.21 1rqm s GLU 62 Ca 0.10 1.84 0.00 0.00 -2.50 0.00 0.00 54.97 54.42 1rqm s GLU 62 Cb 0.13 -3.36 0.00 0.00 0.00 0.00 0.00 34.13 30.90 1rqm s GLU 62 CO 0.50 -0.34 0.00 2.41 0.02 0.00 0.00 175.26 177.85 1rqm n THR 63 N 4.05 0.00 0.06 -1.70 -1.04 -1.26 -4.64 114.28 109.76 1rqm n THR 63 Ca 0.10 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.97 1rqm n THR 63 Cb 0.45 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.88 1rqm n THR 63 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1rqm h THR 64 N 0.00 0.00 -0.44 12.58 2.02 -1.79 -0.72 112.91 124.56 1rqm h THR 64 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1rqm h THR 64 Cb 0.00 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.37 1rqm h THR 64 CO 0.00 0.00 0.21 -1.28 0.37 0.00 0.00 175.52 174.82 1rqm h SER 65 N -0.59 0.29 -0.89 4.18 0.87 -1.60 -0.37 113.55 115.44 1rqm h SER 65 Ca 0.00 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1rqm h SER 65 Cb 0.62 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.51 1rqm h SER 65 CO -0.28 0.21 0.58 -0.61 -0.53 0.00 0.00 176.83 176.20 1rqm h GLN 66 N 0.42 1.06 -0.59 2.24 4.15 -1.76 -1.63 115.11 119.00 1rqm h GLN 66 Ca 0.19 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1rqm h GLN 66 Cb 0.11 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.56 1rqm h GLN 66 CO -0.14 0.70 0.00 1.19 -1.93 0.00 0.00 178.83 178.65 1rqm n PHE 67 N -4.45 0.93 -1.87 3.99 3.01 -0.30 -4.93 117.46 113.84 1rqm n PHE 67 Ca 0.12 -0.42 -0.13 0.00 1.01 0.00 0.00 57.45 58.03 1rqm n PHE 67 Cb 0.12 -0.08 -0.03 0.00 -0.01 0.00 0.00 39.48 39.48 1rqm n PHE 67 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rqm n GLY 68 N 1.22 0.51 3.56 1.37 0.00 -0.61 -4.90 105.19 106.34 1rqm n GLY 68 Ca 0.19 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1rqm n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rqm s ILE 69 N -2.59 3.56 0.00 -0.61 -1.09 -0.19 -4.53 121.20 115.76 1rqm s ILE 69 Ca 0.00 -0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.29 1rqm s ILE 69 Cb 0.00 -4.36 0.00 0.00 -1.58 0.00 0.00 42.46 36.52 1rqm s ILE 69 CO 0.00 -1.30 0.00 0.80 -1.23 0.00 0.00 174.94 173.21 1rqm n MET 70 N 9.06 2.43 -0.96 2.79 1.56 -1.26 -4.76 117.12 125.98 1rqm n MET 70 Ca 0.26 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.57 1rqm n MET 70 Cb 0.50 -0.80 -0.12 0.00 2.15 0.00 0.00 33.22 34.95 1rqm n MET 70 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1rqm n SER 71 N -0.96 5.45 -4.81 6.12 3.41 -1.26 -4.96 113.62 116.61 1rqm n SER 71 Ca 0.00 -2.57 -0.33 0.00 -0.26 0.00 0.00 58.87 55.71 1rqm n SER 71 Cb 0.04 -1.33 -0.01 0.00 -0.26 0.00 0.00 64.21 62.65 1rqm n SER 71 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1rqm s ILE 72 N 0.32 4.02 0.15 -1.33 -4.36 -1.26 -3.73 121.20 115.01 1rqm s ILE 72 Ca 0.52 1.03 -0.31 0.00 -0.26 0.00 0.00 60.65 61.63 1rqm s ILE 72 Cb 0.26 -3.49 -0.10 0.00 1.25 0.00 0.00 42.46 40.38 1rqm s ILE 72 CO -0.03 -0.50 1.66 -2.16 0.24 0.00 0.00 174.94 174.16 1rqm s PRO 73 N -3.87 4.18 -0.10 0.37 0.04 -1.26 -4.68 135.00 129.67 1rqm s PRO 73 Ca 0.63 2.45 0.02 0.00 0.04 0.00 0.00 61.00 64.14 1rqm s PRO 73 Cb -0.14 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 1rqm s PRO 73 CO 0.31 -0.70 -0.16 0.99 0.04 0.00 0.00 177.00 177.48 1rqm s THR 74 N 1.70 2.83 -0.17 1.26 2.01 -0.81 -0.88 115.64 121.58 1rqm s THR 74 Ca 0.74 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1rqm s THR 74 Cb -0.45 -2.15 0.03 0.00 0.01 0.00 0.00 72.50 69.95 1rqm s THR 74 CO 0.32 0.55 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.48 1rqm s LEU 75 N 0.07 1.91 0.03 4.42 0.20 0.04 -0.43 118.68 124.91 1rqm s LEU 75 Ca -0.06 -0.69 0.09 0.00 0.69 0.00 0.00 54.13 54.16 1rqm s LEU 75 Cb -0.15 -1.14 -0.03 0.00 -0.43 0.00 0.00 46.19 44.44 1rqm s LEU 75 CO 0.05 -0.12 -0.26 -0.63 -0.29 0.00 0.00 176.35 175.10 1rqm s ILE 76 N 1.48 2.10 -0.19 6.68 1.01 -1.11 -0.09 121.20 131.09 1rqm s ILE 76 Ca 0.01 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.37 1rqm s ILE 76 Cb -0.15 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.56 1rqm s ILE 76 CO -0.09 0.43 -0.18 -0.22 0.00 0.00 0.00 174.94 174.88 1rqm s LEU 77 N -1.04 2.26 0.37 2.97 0.20 -0.92 -1.10 118.68 121.41 1rqm s LEU 77 Ca 0.11 -0.63 0.08 0.00 0.69 0.00 0.00 54.13 54.38 1rqm s LEU 77 Cb -0.10 -1.52 -0.04 0.00 -0.43 0.00 0.00 46.19 44.10 1rqm s LEU 77 CO 0.01 -0.01 0.18 -0.36 -0.29 0.00 0.00 176.35 175.89 1rqm s PHE 78 N 1.31 2.69 -0.29 5.38 0.40 0.73 -1.43 117.98 126.77 1rqm s PHE 78 Ca 0.05 -0.44 -0.15 0.00 -0.60 0.00 0.00 56.93 55.79 1rqm s PHE 78 Cb -0.13 -1.79 0.10 0.00 0.51 0.00 0.00 43.02 41.71 1rqm s PHE 78 CO -0.12 0.24 0.73 -1.59 0.70 0.00 0.00 175.22 175.19 1rqm s LYS 79 N -3.90 0.62 -1.61 0.44 -2.85 -0.81 -2.39 119.74 109.24 1rqm s LYS 79 Ca 0.40 1.17 -0.13 0.00 -1.00 0.00 0.00 55.97 56.41 1rqm s LYS 79 Cb -0.01 0.28 0.11 0.00 -2.06 0.00 0.00 37.83 36.15 1rqm s LYS 79 CO 0.23 -0.15 0.70 0.41 0.10 0.00 0.00 175.35 176.65 1rqm n GLY 80 N 4.47 -0.39 1.78 0.59 0.00 -0.96 -0.68 105.19 110.00 1rqm n GLY 80 Ca -0.18 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1rqm n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rqm n GLY 81 N -1.60 1.49 3.36 -0.02 0.00 0.77 -4.82 105.19 104.36 1rqm n GLY 81 Ca -0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 1rqm n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rqm s GLU 82 N -0.41 2.92 -0.95 1.61 2.56 0.14 -5.03 118.70 119.55 1rqm s GLU 82 Ca 0.00 -1.42 -0.24 0.00 0.00 0.00 0.00 54.97 53.31 1rqm s GLU 82 Cb 0.00 -4.11 0.00 0.00 2.00 0.00 0.00 34.13 32.03 1rqm s GLU 82 CO 0.00 -1.06 1.70 -1.25 -0.56 0.00 0.00 175.26 174.08 1rqm s PRO 83 N 1.60 3.07 0.61 4.30 0.04 -1.26 -1.93 135.00 141.42 1rqm s PRO 83 Ca 0.04 -0.68 0.38 0.00 0.04 0.00 0.00 61.00 60.77 1rqm s PRO 83 Cb -0.25 -5.19 1.94 0.00 0.04 0.00 0.00 34.50 31.04 1rqm s PRO 83 CO 0.05 -2.78 2.21 -0.39 0.04 0.00 0.00 177.00 176.13 1rqm h VAL 84 N 7.02 0.15 -2.94 -0.36 -1.51 -1.60 -3.42 116.25 113.59 1rqm h VAL 84 Ca 0.14 -0.23 -0.04 0.00 -1.23 0.00 0.00 66.70 65.34 1rqm h VAL 84 Cb 1.01 1.19 -0.14 0.00 -2.13 0.00 0.00 31.29 31.23 1rqm h VAL 84 CO 1.32 0.02 0.12 -1.59 -1.23 0.00 0.00 177.57 176.21 1rqm s LYS 85 N -4.08 1.17 -0.06 5.19 0.00 -1.25 -5.05 119.74 115.67 1rqm s LYS 85 Ca -0.03 -0.40 0.05 0.00 0.00 0.00 0.00 55.97 55.59 1rqm s LYS 85 Cb 0.12 0.53 -0.02 0.00 0.00 0.00 0.00 37.83 38.47 1rqm s LYS 85 CO 0.49 -0.47 -0.22 -1.14 0.00 0.00 0.00 175.35 174.00 1rqm s GLN 86 N -3.26 2.54 0.08 1.78 0.74 -1.26 -2.17 119.66 118.10 1rqm s GLN 86 Ca -0.01 -0.85 0.08 0.00 0.05 0.00 0.00 55.36 54.63 1rqm s GLN 86 Cb -0.00 -2.22 -0.04 0.00 1.10 0.00 0.00 33.01 31.85 1rqm s GLN 86 CO -0.08 0.44 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.41 1rqm s LEU 87 N -0.30 2.67 -0.00 3.68 2.01 0.88 -5.00 118.68 122.61 1rqm s LEU 87 Ca 0.01 -0.48 -0.01 0.00 0.01 0.00 0.00 54.13 53.65 1rqm s LEU 87 Cb -0.13 -1.54 -0.00 0.00 0.01 0.00 0.00 46.19 44.53 1rqm s LEU 87 CO 0.02 0.22 0.02 0.27 1.01 0.00 0.00 176.35 177.90 1rqm s ILE 88 N -1.04 0.03 0.08 -0.59 -4.36 -1.26 -0.78 121.20 113.28 1rqm s ILE 88 Ca 0.16 -0.23 0.00 0.00 -0.26 0.00 0.00 60.65 60.32 1rqm s ILE 88 Cb -0.11 -0.12 0.00 0.00 1.25 0.00 0.00 42.46 43.49 1rqm s ILE 88 CO 0.08 -0.13 0.00 0.61 0.24 0.00 0.00 174.94 175.74 1rqm n GLY 89 N 2.66 -2.23 3.53 6.27 0.00 -0.06 -4.60 105.19 110.76 1rqm n GLY 89 Ca -0.15 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 1rqm n GLY 89 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1rqm n TYR 90 N -2.65 3.11 -2.53 1.61 9.36 -1.26 -4.84 117.16 119.96 1rqm n TYR 90 Ca -0.01 -1.82 -0.42 0.00 3.32 0.00 0.00 57.90 58.98 1rqm n TYR 90 Cb 0.10 -2.56 -0.03 0.00 -0.63 0.00 0.00 39.34 36.22 1rqm n TYR 90 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1rqm s GLN 91 N 5.81 4.47 0.99 2.98 -1.52 -1.26 -5.06 119.66 126.07 1rqm s GLN 91 Ca 0.64 1.63 -0.12 0.00 -1.95 0.00 0.00 55.36 55.56 1rqm s GLN 91 Cb 0.02 -3.40 0.18 0.00 -0.22 0.00 0.00 33.01 29.59 1rqm s GLN 91 CO 0.12 -0.19 1.09 -1.25 -0.25 0.00 0.00 175.29 174.80 1rqm s PRO 92 N 1.13 0.52 0.27 2.91 0.04 -1.26 -4.60 135.00 134.01 1rqm s PRO 92 Ca 0.56 0.68 -0.00 0.00 0.04 0.00 0.00 61.00 62.28 1rqm s PRO 92 Cb -0.26 -1.73 0.57 0.00 0.04 0.00 0.00 34.50 33.12 1rqm s PRO 92 CO 0.28 -2.71 1.75 0.87 0.04 0.00 0.00 177.00 177.23 1rqm h LYS 93 N -1.88 0.56 0.00 4.56 6.56 -1.97 0.28 116.57 124.68 1rqm h LYS 93 Ca -0.54 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.02 1rqm h LYS 93 Cb 1.31 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1rqm h LYS 93 CO 0.55 0.37 0.00 0.39 -2.06 0.00 0.00 179.45 178.70 1rqm n GLU 94 N -4.90 0.58 -0.05 3.15 4.71 -1.26 0.37 120.64 123.23 1rqm n GLU 94 Ca 0.18 0.03 -0.12 0.00 -0.01 0.00 0.00 57.16 57.24 1rqm n GLU 94 Cb 0.48 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.37 1rqm n GLU 94 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 1rqm n GLN 95 N -1.12 0.23 0.06 3.49 -0.06 -0.38 -4.29 117.38 115.32 1rqm n GLN 95 Ca 0.15 0.10 -0.06 0.00 -2.00 0.00 0.00 57.00 55.19 1rqm n GLN 95 Cb 0.12 -0.90 -0.04 0.00 -4.06 0.00 0.00 30.24 25.37 1rqm n GLN 95 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1rqm h LEU 96 N -0.38 -0.56 -2.41 1.69 6.46 -0.84 0.27 115.31 119.54 1rqm h LEU 96 Ca -0.28 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.54 1rqm h LEU 96 Cb 1.25 0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 41.38 1rqm h LEU 96 CO -0.16 -0.21 -0.01 -0.08 -0.62 0.00 0.00 178.44 177.35 1rqm h GLU 97 N -0.29 0.00 -0.04 1.25 4.81 -0.31 0.14 114.58 120.14 1rqm h GLU 97 Ca -0.01 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1rqm h GLU 97 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1rqm h GLU 97 CO -0.08 0.01 -0.13 0.00 -0.73 0.00 0.00 179.01 178.07 1rqm h ALA 98 N 1.99 0.07 0.09 2.92 0.00 -1.57 0.36 119.26 123.12 1rqm h ALA 98 Ca -0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1rqm h ALA 98 Cb 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rqm h ALA 98 CO 0.00 -0.02 -0.06 0.37 0.00 0.00 0.00 179.25 179.54 1rqm h GLN 99 N -0.40 -0.15 0.00 0.00 5.75 -0.26 -2.97 115.11 117.08 1rqm h GLN 99 Ca -0.01 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1rqm h GLN 99 Cb 0.76 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.35 1rqm h GLN 99 CO 0.03 -0.10 0.00 1.28 -2.65 0.00 0.00 178.83 177.39 1rqm n LEU 100 N -5.17 0.00 0.11 -2.39 4.77 0.43 -3.47 117.00 111.28 1rqm n LEU 100 Ca -0.08 0.27 0.19 0.00 -0.03 0.00 0.00 56.01 56.36 1rqm n LEU 100 Cb 0.10 -0.27 0.76 0.00 -2.33 0.00 0.00 43.42 41.68 1rqm n LEU 100 CO 0.33 -0.07 1.17 0.00 -1.33 0.00 0.00 177.39 177.49 1rqm h ALA 101 N 3.10 2.10 0.00 -1.18 0.00 -0.75 0.03 119.26 122.57 1rqm h ALA 101 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rqm h ALA 101 Cb 0.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1rqm h ALA 101 CO 0.00 -0.53 0.00 -3.47 0.00 0.00 0.00 179.25 175.25 1rqm n ASP 102 N -3.90 0.00 0.00 0.00 2.03 -1.23 -0.09 116.55 113.37 1rqm n ASP 102 Ca 0.06 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.60 1rqm n ASP 102 Cb 0.52 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 1rqm n ASP 102 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1rqm n VAL 103 N -1.32 0.00 1.20 5.18 3.14 -0.11 -4.71 118.33 121.71 1rqm n VAL 103 Ca 0.03 -0.15 0.14 0.00 -2.96 0.00 0.00 64.34 61.40 1rqm n VAL 103 Cb 0.07 0.69 0.65 0.00 -1.06 0.00 0.00 33.84 34.19 1rqm n VAL 103 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1rqm n LEU 104 N -0.63 0.08 0.00 6.55 7.99 -0.55 -4.99 117.00 125.45 1rqm n LEU 104 Ca 0.00 0.34 0.01 0.00 -0.01 0.00 0.00 56.01 56.36 1rqm n LEU 104 Cb 0.00 -0.37 0.09 0.00 -0.11 0.00 0.00 43.42 43.03 1rqm n LEU 104 CO 0.00 0.02 0.33 1.67 -1.51 0.00 0.00 177.39 177.90