#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 0.00 0.00 -1.04 -1.26 -4.93 114.28 107.05 1rqm n THR 2 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1rqm n THR 2 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1rqm n THR 2 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1rqm n MET 3 N -0.80 0.00 -3.59 -2.82 1.56 -1.25 -4.82 117.12 105.39 1rqm n MET 3 Ca 0.00 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.31 1rqm n MET 3 Cb 0.00 -1.75 -0.05 0.00 2.15 0.00 0.00 33.22 33.57 1rqm n MET 3 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1rqm s THR 4 N -0.57 0.04 0.23 1.12 2.01 -1.26 -4.42 115.64 112.79 1rqm s THR 4 Ca 0.00 -0.36 -0.07 0.00 0.31 0.00 0.00 61.69 61.57 1rqm s THR 4 Cb 0.00 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 1rqm s THR 4 CO 0.00 -0.20 0.31 -0.22 -0.69 0.00 0.00 174.62 173.82 1rqm s LEU 5 N -2.32 0.74 0.07 4.42 2.96 -0.11 -4.32 118.68 120.13 1rqm s LEU 5 Ca -0.02 -1.17 -0.13 0.00 -0.22 0.00 0.00 54.13 52.59 1rqm s LEU 5 Cb 0.00 1.09 0.02 0.00 0.50 0.00 0.00 46.19 47.80 1rqm s LEU 5 CO -0.06 -1.00 0.30 -0.89 -1.32 0.00 0.00 176.35 173.37 1rqm s THR 6 N -4.05 0.09 0.19 3.68 2.01 -1.26 -4.65 115.64 111.65 1rqm s THR 6 Ca 0.31 -0.78 -0.20 0.00 0.31 0.00 0.00 61.69 61.33 1rqm s THR 6 Cb 0.03 -1.08 0.13 0.00 0.01 0.00 0.00 72.50 71.59 1rqm s THR 6 CO 0.11 -0.43 1.60 -0.78 -0.69 0.00 0.00 174.62 174.43 1rqm h ASP 7 N 2.92 -1.04 -0.40 3.53 3.58 -1.95 0.19 116.42 123.25 1rqm h ASP 7 Ca -0.33 0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.31 1rqm h ASP 7 Cb 1.21 0.53 -0.02 0.00 1.72 0.00 0.00 39.33 42.77 1rqm h ASP 7 CO 0.49 -0.29 0.16 0.00 -2.88 0.00 0.00 179.24 176.72 1rqm h ALA 8 N 1.07 0.52 0.00 -0.78 0.00 -1.96 -2.98 119.26 115.13 1rqm h ALA 8 Ca 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rqm h ALA 8 Cb 0.54 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1rqm h ALA 8 CO -0.65 0.12 0.00 -0.97 0.00 0.00 0.00 179.25 177.75 1rqm h ASN 9 N 0.51 0.00 0.76 0.00 -1.24 -1.30 -2.60 115.58 111.71 1rqm h ASN 9 Ca 0.13 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 1rqm h ASN 9 Cb 0.18 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.23 1rqm h ASN 9 CO -0.01 0.00 -0.45 0.15 -1.29 0.00 0.00 177.43 175.82 1rqm h PHE 10 N 0.00 -1.21 -0.76 0.67 3.57 -0.57 0.95 116.94 119.59 1rqm h PHE 10 Ca 0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1rqm h PHE 10 Cb 0.46 0.43 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 1rqm h PHE 10 CO 0.00 -0.68 0.28 0.37 -2.23 0.00 0.00 178.31 176.05 1rqm h GLN 11 N -1.13 1.15 0.00 1.11 4.15 -1.63 -1.32 115.11 117.44 1rqm h GLN 11 Ca -0.10 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.07 1rqm h GLN 11 Cb 0.90 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.41 1rqm h GLN 11 CO 0.11 0.95 -0.15 1.96 -1.93 0.00 0.00 178.83 179.77 1rqm h GLN 12 N 1.12 0.00 0.46 1.69 4.20 -1.42 -0.85 115.11 120.31 1rqm h GLN 12 Ca 0.25 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.94 1rqm h GLN 12 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1rqm h GLN 12 CO -0.02 0.15 -0.22 0.00 -0.67 0.00 0.00 178.83 178.07 1rqm h ALA 13 N 1.85 -0.63 0.00 3.87 0.00 -0.23 -3.38 119.26 120.75 1rqm h ALA 13 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1rqm h ALA 13 Cb 0.29 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1rqm h ALA 13 CO 0.02 -0.59 -0.08 -0.84 0.00 0.00 0.00 179.25 177.76 1rqm h ILE 14 N -1.13 0.39 -0.06 0.00 3.07 -0.82 -3.20 117.51 115.77 1rqm h ILE 14 Ca -0.06 -0.44 0.01 0.00 1.55 0.00 0.00 64.86 65.92 1rqm h ILE 14 Cb 0.47 1.31 -0.00 0.00 -0.27 0.00 0.00 36.82 38.33 1rqm h ILE 14 CO 0.10 0.08 0.04 0.06 -1.05 0.00 0.00 178.15 177.38 1rqm h GLN 15 N 0.00 0.01 0.00 0.16 -0.00 -1.34 0.18 115.11 114.12 1rqm h GLN 15 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1rqm h GLN 15 Cb 0.31 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.78 1rqm h GLN 15 CO 0.01 0.01 0.00 0.41 -0.00 0.00 0.00 178.83 179.26 1rqm n GLY 16 N -1.55 0.40 2.03 0.06 0.00 -1.21 -2.99 105.19 101.93 1rqm n GLY 16 Ca -0.02 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -2.13 0.00 1.61 2.03 -1.26 -4.97 116.55 111.83 1rqm n ASP 17 Ca 0.00 0.47 0.00 0.00 0.52 0.00 0.00 54.79 55.78 1rqm n ASP 17 Cb 0.00 2.21 0.00 0.00 -0.72 0.00 0.00 41.12 42.61 1rqm n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rqm n GLY 18 N -1.49 -0.62 3.61 0.27 0.00 -1.26 -5.02 105.19 100.69 1rqm n GLY 18 Ca 0.00 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.98 3.43 -0.05 1.61 0.04 -1.26 -4.18 135.00 132.61 1rqm s PRO 19 Ca 0.00 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.06 1rqm s PRO 19 Cb 0.00 -4.27 -0.03 0.00 0.04 0.00 0.00 34.50 30.24 1rqm s PRO 19 CO 0.00 -1.76 -0.06 0.08 0.04 0.00 0.00 177.00 175.30 1rqm s VAL 20 N 7.02 3.73 -0.19 -0.36 1.01 0.34 -0.44 120.40 131.51 1rqm s VAL 20 Ca 0.92 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 62.32 1rqm s VAL 20 Cb -0.32 -2.56 0.09 0.00 0.00 0.00 0.00 36.38 33.59 1rqm s VAL 20 CO 0.35 0.54 0.22 -0.22 0.00 0.00 0.00 175.10 176.00 1rqm s LEU 21 N -0.98 -0.12 -0.20 3.92 2.96 -0.33 -0.15 118.68 123.77 1rqm s LEU 21 Ca 0.14 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1rqm s LEU 21 Cb -0.11 0.40 -0.01 0.00 0.50 0.00 0.00 46.19 46.97 1rqm s LEU 21 CO 0.03 -0.32 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.99 1rqm s VAL 22 N 2.33 3.23 -0.55 1.68 1.01 -0.02 0.07 120.40 128.15 1rqm s VAL 22 Ca 0.06 -0.55 -0.27 0.00 0.00 0.00 0.00 61.98 61.22 1rqm s VAL 22 Cb -0.15 -2.44 0.03 0.00 0.00 0.00 0.00 36.38 33.82 1rqm s VAL 22 CO -0.11 0.45 1.09 -0.62 0.00 0.00 0.00 175.10 175.91 1rqm s ASP 23 N 1.24 6.44 -0.57 3.32 2.15 0.39 -2.59 116.67 127.05 1rqm s ASP 23 Ca 0.03 0.01 -0.25 0.00 0.43 0.00 0.00 52.55 52.77 1rqm s ASP 23 Cb -0.14 -2.51 0.04 0.00 -0.30 0.00 0.00 42.92 40.01 1rqm s ASP 23 CO -0.03 -1.35 0.98 -0.36 -0.17 0.00 0.00 175.17 174.25 1rqm s PHE 24 N 4.50 2.75 0.51 -5.34 0.08 0.38 -0.63 117.98 120.22 1rqm s PHE 24 Ca 0.39 0.00 0.01 0.00 0.12 0.00 0.00 56.93 57.45 1rqm s PHE 24 Cb -0.09 -4.16 0.01 0.00 -0.57 0.00 0.00 43.02 38.21 1rqm s PHE 24 CO 0.24 -1.42 0.08 -2.67 -0.10 0.00 0.00 175.22 171.35 1rqm n TRP 25 N 7.65 0.80 -3.71 0.36 4.27 -0.77 -1.52 117.44 124.52 1rqm n TRP 25 Ca 0.02 -2.42 -0.13 0.00 -3.89 0.00 0.00 57.50 51.07 1rqm n TRP 25 Cb 0.48 -0.35 -0.07 0.00 -1.36 0.00 0.00 31.31 30.00 1rqm n TRP 25 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1rqm s ALA 26 N -2.84 -0.94 0.36 -1.67 0.00 -1.26 0.09 121.76 115.51 1rqm s ALA 26 Ca 0.06 0.38 0.29 0.00 0.00 0.00 0.00 51.96 52.69 1rqm s ALA 26 Cb -0.00 0.18 1.44 0.00 0.00 0.00 0.00 23.12 24.73 1rqm s ALA 26 CO 0.04 -0.35 2.05 0.00 0.00 0.00 0.00 175.76 177.50 1rqm h ALA 27 N 3.43 1.20 0.00 0.00 0.00 -1.97 -2.96 119.26 118.96 1rqm h ALA 27 Ca -0.30 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1rqm h ALA 27 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1rqm h ALA 27 CO 0.42 0.14 -0.86 -2.67 0.00 0.00 0.00 179.25 176.29 1rqm n TRP 28 N -3.51 0.23 -1.23 0.00 2.14 -1.26 -5.02 117.44 108.79 1rqm n TRP 28 Ca -0.01 0.07 -0.30 0.00 2.07 0.00 0.00 57.50 59.32 1rqm n TRP 28 Cb 0.26 -0.39 0.23 0.00 -0.81 0.00 0.00 31.31 30.60 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 -1.44 0.13 0.29 0.00 0.00 -1.26 -4.74 105.19 98.16 1rqm n GLY 30 Ca 0.14 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.06 1.61 0.13 -1.98 -1.61 132.00 130.09 1rqm h PRO 31 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1rqm h PRO 31 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1rqm h PRO 31 CO 0.00 0.04 0.04 0.00 -0.23 0.00 0.00 178.00 177.86 1rqm n ARG 33 N -4.53 0.14 -0.10 0.00 0.63 -0.60 -0.63 116.66 111.56 1rqm n ARG 33 Ca -0.02 0.33 -0.16 0.00 -0.92 0.00 0.00 57.85 57.08 1rqm n ARG 33 Cb 0.11 -1.74 -0.13 0.00 0.45 0.00 0.00 32.46 31.14 1rqm n ARG 33 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1rqm n MET 34 N -2.00 0.67 -0.13 -0.14 2.81 -0.14 -4.41 117.12 113.78 1rqm n MET 34 Ca 0.03 0.13 -0.11 0.00 -1.81 0.00 0.00 57.70 55.94 1rqm n MET 34 Cb 0.25 -1.55 -0.02 0.00 -0.71 0.00 0.00 33.22 31.18 1rqm n MET 34 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1rqm h MET 35 N 0.01 0.73 -0.40 0.03 1.85 -0.92 -2.42 114.93 113.80 1rqm h MET 35 Ca -0.54 -0.28 0.08 0.00 -0.61 0.00 0.00 59.70 58.35 1rqm h MET 35 Cb 2.00 -0.04 -0.08 0.00 0.43 0.00 0.00 31.60 33.91 1rqm h MET 35 CO -0.04 0.87 -0.14 0.00 -0.40 0.00 0.00 176.91 177.21 1rqm h ALA 36 N 0.83 0.21 -0.17 0.39 0.00 -1.10 0.48 119.26 119.90 1rqm h ALA 36 Ca 0.09 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1rqm h ALA 36 Cb 0.61 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1rqm h ALA 36 CO 0.04 -0.49 -0.32 -1.00 0.00 0.00 0.00 179.25 177.47 1rqm h PRO 37 N -0.05 0.35 0.00 0.00 0.13 -1.77 -0.95 132.00 129.72 1rqm h PRO 37 Ca 0.20 -0.14 -0.03 0.00 -0.87 0.00 0.00 66.00 65.15 1rqm h PRO 37 Cb 0.35 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.46 1rqm h PRO 37 CO -0.44 0.64 -0.14 0.28 -0.23 0.00 0.00 178.00 178.11 1rqm h VAL 38 N 0.30 1.05 0.00 1.56 2.07 -0.43 -1.97 116.25 118.84 1rqm h VAL 38 Ca 0.04 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 1rqm h VAL 38 Cb 0.72 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1rqm h VAL 38 CO 0.06 0.13 -0.65 -0.07 0.02 0.00 0.00 177.57 177.06 1rqm h LEU 39 N 0.00 0.00 -0.63 2.57 3.38 0.12 -2.73 115.31 118.03 1rqm h LEU 39 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1rqm h LEU 39 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1rqm h LEU 39 CO 0.02 0.39 -0.45 -0.08 0.09 0.00 0.00 178.44 178.41 1rqm h GLU 40 N 0.00 0.56 -0.03 1.13 4.81 -0.44 0.15 114.58 120.76 1rqm h GLU 40 Ca -0.04 -0.30 -0.21 0.00 -0.13 0.00 0.00 59.36 58.68 1rqm h GLU 40 Cb 1.33 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 1rqm h GLU 40 CO 0.04 0.90 -0.86 1.05 -0.73 0.00 0.00 179.01 179.41 1rqm h GLU 41 N 0.45 0.40 -0.55 1.92 -0.00 -1.47 0.11 114.58 115.44 1rqm h GLU 41 Ca 0.03 -0.39 0.07 0.00 -0.00 0.00 0.00 59.36 59.07 1rqm h GLU 41 Cb 0.96 0.10 -0.06 0.00 -0.00 0.00 0.00 28.75 29.76 1rqm h GLU 41 CO 0.09 1.05 0.21 0.35 -0.00 0.00 0.00 179.01 180.71 1rqm h PHE 42 N 0.25 0.38 0.16 2.06 3.04 -1.43 -0.14 116.94 121.26 1rqm h PHE 42 Ca -0.06 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 1rqm h PHE 42 Cb 1.48 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.90 1rqm h PHE 42 CO 0.05 0.12 -0.08 0.00 -2.02 0.00 0.00 178.31 176.39 1rqm h ALA 43 N 1.36 -0.22 -0.52 2.41 0.00 -0.38 -2.64 119.26 119.27 1rqm h ALA 43 Ca 0.27 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1rqm h ALA 43 Cb 0.28 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1rqm h ALA 43 CO -0.25 -0.59 0.18 1.49 0.00 0.00 0.00 179.25 180.08 1rqm h GLU 44 N -0.27 0.35 0.00 0.00 4.81 -0.54 1.00 114.58 119.93 1rqm h GLU 44 Ca -0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1rqm h GLU 44 Cb 0.21 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1rqm h GLU 44 CO 0.04 0.23 0.00 0.00 -0.73 0.00 0.00 179.01 178.55 1rqm h ALA 45 N 1.35 1.00 0.00 2.92 0.00 -0.88 -3.15 119.26 120.50 1rqm h ALA 45 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 1rqm h ALA 45 Cb 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.75 1rqm h ALA 45 CO -0.26 0.00 -0.93 0.72 0.00 0.00 0.00 179.25 178.78 1rqm n HIS 46 N -2.46 0.00 0.30 0.00 8.25 -0.49 -4.97 115.22 115.86 1rqm n HIS 46 Ca -0.01 -0.48 0.17 0.00 -0.26 0.00 0.00 57.72 57.14 1rqm n HIS 46 Cb 0.11 -0.14 0.96 0.00 1.12 0.00 0.00 29.99 32.04 1rqm n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rqm h ALA 47 N 0.86 1.31 0.03 -1.41 0.00 -0.81 -1.97 119.26 117.25 1rqm h ALA 47 Ca -0.19 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.33 1rqm h ALA 47 Cb 1.78 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.52 1rqm h ALA 47 CO 0.08 0.03 -2.09 -0.40 0.00 0.00 0.00 179.25 176.87 1rqm n ASP 48 N -3.56 1.97 0.29 0.00 5.75 -1.26 -4.60 116.55 115.14 1rqm n ASP 48 Ca -0.03 0.22 0.19 0.00 -0.01 0.00 0.00 54.79 55.17 1rqm n ASP 48 Cb 0.12 -0.77 0.86 0.00 -1.03 0.00 0.00 41.12 40.29 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 -0.55 0.00 -3.05 0.11 3.64 -1.76 -3.43 116.57 111.53 1rqm h LYS 49 Ca -0.53 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.71 1rqm h LYS 49 Cb 1.69 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 33.28 1rqm h LYS 49 CO -0.19 0.00 -0.35 0.54 -2.27 0.00 0.00 179.45 177.18 1rqm s VAL 50 N -3.81 0.02 -1.47 2.00 0.11 -0.94 -4.87 120.40 111.44 1rqm s VAL 50 Ca -0.01 -0.17 -0.09 0.00 -2.93 0.00 0.00 61.98 58.78 1rqm s VAL 50 Cb 0.10 -0.47 -0.08 0.00 -1.53 0.00 0.00 36.38 34.40 1rqm s VAL 50 CO 0.48 -0.09 2.77 0.41 -3.33 0.00 0.00 175.10 175.34 1rqm n THR 51 N 2.41 3.89 -2.24 5.04 -1.04 0.41 -4.70 114.28 118.06 1rqm n THR 51 Ca -0.16 -2.33 -0.34 0.00 -2.04 0.00 0.00 64.05 59.18 1rqm n THR 51 Cb 0.57 -2.51 0.00 0.00 -1.82 0.00 0.00 70.33 66.57 1rqm n THR 51 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1rqm s VAL 52 N 2.46 3.37 0.27 12.58 0.11 -1.26 -1.19 120.40 136.73 1rqm s VAL 52 Ca 0.63 0.80 -0.19 0.00 -2.93 0.00 0.00 61.98 60.29 1rqm s VAL 52 Cb 0.16 -3.31 0.02 0.00 -1.53 0.00 0.00 36.38 31.72 1rqm s VAL 52 CO -0.05 -0.23 0.66 0.00 -3.33 0.00 0.00 175.10 172.14 1rqm s ALA 53 N -1.95 -1.00 -0.08 1.54 0.00 0.11 -3.87 121.76 116.50 1rqm s ALA 53 Ca 0.70 -0.41 -0.04 0.00 0.00 0.00 0.00 51.96 52.21 1rqm s ALA 53 Cb -0.21 0.90 0.05 0.00 0.00 0.00 0.00 23.12 23.85 1rqm s ALA 53 CO 0.28 -0.98 0.18 0.21 0.00 0.00 0.00 175.76 175.45 1rqm s LYS 54 N -3.94 0.10 0.04 0.00 2.20 -1.26 -0.46 119.74 116.42 1rqm s LYS 54 Ca 0.13 0.50 -0.05 0.00 -0.36 0.00 0.00 55.97 56.19 1rqm s LYS 54 Cb -0.04 -0.18 -0.01 0.00 -1.51 0.00 0.00 37.83 36.08 1rqm s LYS 54 CO 0.07 -0.22 0.08 -0.48 -0.36 0.00 0.00 175.35 174.44 1rqm s LEU 55 N 1.69 1.85 -0.55 5.43 0.05 0.19 -0.93 118.68 126.40 1rqm s LEU 55 Ca -0.04 -0.54 -0.23 0.00 0.05 0.00 0.00 54.13 53.37 1rqm s LEU 55 Cb -0.12 0.56 0.05 0.00 -2.05 0.00 0.00 46.19 44.63 1rqm s LEU 55 CO -0.07 -0.49 0.90 0.21 -0.55 0.00 0.00 176.35 176.35 1rqm s ASN 56 N -2.08 6.31 0.29 1.48 3.84 -1.26 -1.84 114.94 121.67 1rqm s ASN 56 Ca -0.06 -0.49 0.22 0.00 0.21 0.00 0.00 52.86 52.75 1rqm s ASN 56 Cb -0.02 -2.41 1.07 0.00 -0.55 0.00 0.00 41.25 39.34 1rqm s ASN 56 CO -0.04 -1.20 1.67 0.55 -2.79 0.00 0.00 177.10 175.29 1rqm n VAL 57 N 6.09 0.97 -0.06 -5.21 3.14 0.11 -0.71 118.33 122.67 1rqm n VAL 57 Ca 0.00 0.52 -0.03 0.00 -2.96 0.00 0.00 64.34 61.87 1rqm n VAL 57 Cb 0.47 -1.49 0.22 0.00 -1.06 0.00 0.00 33.84 31.98 1rqm n VAL 57 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1rqm h ASP 58 N 0.00 0.63 0.47 6.55 3.58 -1.92 -2.61 116.42 123.12 1rqm h ASP 58 Ca 0.00 -0.14 -0.18 0.00 0.42 0.00 0.00 57.03 57.13 1rqm h ASP 58 Cb 0.16 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 1rqm h ASP 58 CO 0.00 0.72 -0.78 -0.08 -2.88 0.00 0.00 179.24 176.22 1rqm h GLU 59 N 0.62 0.24 -3.50 0.28 4.81 -1.31 -3.43 114.58 112.29 1rqm h GLU 59 Ca 0.12 -0.22 -0.70 0.00 -0.13 0.00 0.00 59.36 58.43 1rqm h GLU 59 Cb 0.43 0.05 -0.35 0.00 0.63 0.00 0.00 28.75 29.51 1rqm h GLU 59 CO 0.02 0.90 -0.27 1.21 -0.73 0.00 0.00 179.01 180.14 1rqm s ASN 60 N -6.93 5.51 0.41 1.04 3.04 -0.98 -4.78 114.94 112.25 1rqm s ASN 60 Ca -0.04 -3.11 0.23 0.00 0.04 0.00 0.00 52.86 49.98 1rqm s ASN 60 Cb 0.11 -1.88 0.32 0.00 -1.54 0.00 0.00 41.25 38.26 1rqm s ASN 60 CO 0.82 -0.32 1.56 1.55 -3.04 0.00 0.00 177.10 177.67 1rqm h PRO 61 N 6.75 0.00 -6.48 0.43 0.13 -1.84 -3.41 132.00 127.58 1rqm h PRO 61 Ca 0.04 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.64 1rqm h PRO 61 Cb 0.92 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.05 1rqm h PRO 61 CO 0.75 0.00 0.68 -2.00 -0.23 0.00 0.00 178.00 177.20 1rqm s GLU 62 N -3.22 4.36 0.00 0.86 -6.30 -1.26 -1.18 118.70 111.96 1rqm s GLU 62 Ca 0.06 1.92 0.00 0.00 -2.50 0.00 0.00 54.97 54.45 1rqm s GLU 62 Cb 0.06 -3.36 0.00 0.00 0.00 0.00 0.00 34.13 30.83 1rqm s GLU 62 CO 0.68 -0.39 0.00 2.41 0.02 0.00 0.00 175.26 177.97 1rqm n THR 63 N 4.10 0.00 0.08 -1.70 -1.04 -1.26 -4.66 114.28 109.80 1rqm n THR 63 Ca 0.11 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.99 1rqm n THR 63 Cb 0.44 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.90 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 0.28 0.00 12.58 2.02 -1.76 -0.92 112.91 125.11 1rqm h THR 64 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1rqm h THR 64 Cb 0.00 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1rqm h THR 64 CO 0.00 0.00 0.00 -0.24 0.37 0.00 0.00 175.52 175.65 1rqm n SER 65 N -5.42 0.00 -0.05 4.18 2.88 -0.32 -1.31 113.62 113.57 1rqm n SER 65 Ca -0.06 -0.12 -0.14 0.00 -1.33 0.00 0.00 58.87 57.23 1rqm n SER 65 Cb 0.34 -0.20 -0.14 0.00 -0.75 0.00 0.00 64.21 63.45 1rqm n SER 65 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1rqm n GLN 66 N -1.20 0.68 -0.32 -1.46 7.27 -0.45 -4.43 117.38 117.47 1rqm n GLN 66 Ca 0.09 0.19 0.08 0.00 0.07 0.00 0.00 57.00 57.43 1rqm n GLN 66 Cb 0.11 -1.66 0.24 0.00 2.41 0.00 0.00 30.24 31.34 1rqm n GLN 66 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1rqm n PHE 67 N -3.12 0.80 -2.79 3.69 3.01 -0.63 -4.97 117.46 113.46 1rqm n PHE 67 Ca -0.30 -0.54 -0.16 0.00 1.01 0.00 0.00 57.45 57.46 1rqm n PHE 67 Cb 1.07 -0.07 0.03 0.00 -0.01 0.00 0.00 39.48 40.49 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 0.89 -0.15 3.56 1.37 0.00 -0.83 -4.87 105.19 105.15 1rqm n GLY 68 Ca 0.18 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.98 3.70 0.00 -0.61 -1.09 -0.43 -4.40 121.20 115.39 1rqm s ILE 69 Ca 0.21 -0.72 0.00 0.00 -2.23 0.00 0.00 60.65 57.91 1rqm s ILE 69 Cb -0.09 -4.58 0.00 0.00 -1.58 0.00 0.00 42.46 36.21 1rqm s ILE 69 CO 0.26 -1.43 0.31 0.80 -1.23 0.00 0.00 174.94 173.65 1rqm n MET 70 N 8.76 0.05 0.00 2.79 1.56 -1.26 -4.89 117.12 124.14 1rqm n MET 70 Ca 0.39 -0.31 0.00 0.00 -0.27 0.00 0.00 57.70 57.51 1rqm n MET 70 Cb 0.48 -0.79 0.00 0.00 2.15 0.00 0.00 33.22 35.07 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 -0.10 1.07 -4.77 6.12 3.41 -1.26 -4.95 113.62 113.14 1rqm n SER 71 Ca 0.00 -1.29 -0.35 0.00 -0.26 0.00 0.00 58.87 56.97 1rqm n SER 71 Cb 0.06 -0.32 0.02 0.00 -0.26 0.00 0.00 64.21 63.71 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 -0.56 3.04 0.17 -1.33 -4.36 -1.26 -4.05 121.20 112.85 1rqm s ILE 72 Ca 0.00 0.62 -0.32 0.00 -0.26 0.00 0.00 60.65 60.69 1rqm s ILE 72 Cb 0.00 -3.22 -0.10 0.00 1.25 0.00 0.00 42.46 40.39 1rqm s ILE 72 CO 0.00 -0.17 1.58 -2.16 0.24 0.00 0.00 174.94 174.43 1rqm s PRO 73 N -3.43 4.21 -0.12 0.37 0.04 -1.26 -4.66 135.00 130.14 1rqm s PRO 73 Ca 0.73 2.39 0.00 0.00 0.04 0.00 0.00 61.00 64.16 1rqm s PRO 73 Cb -0.25 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.13 1rqm s PRO 73 CO 0.31 -0.62 -0.13 0.99 0.04 0.00 0.00 177.00 177.59 1rqm s THR 74 N 1.10 3.04 -0.26 1.26 2.01 -0.58 -0.76 115.64 121.46 1rqm s THR 74 Ca 0.70 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 62.06 1rqm s THR 74 Cb -0.44 -2.27 0.06 0.00 0.01 0.00 0.00 72.50 69.86 1rqm s THR 74 CO 0.32 0.53 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.45 1rqm s LEU 75 N 0.29 3.44 -0.08 4.42 0.20 -0.24 -0.47 118.68 126.23 1rqm s LEU 75 Ca -0.10 -1.40 0.04 0.00 0.69 0.00 0.00 54.13 53.37 1rqm s LEU 75 Cb -0.16 -1.54 -0.01 0.00 -0.43 0.00 0.00 46.19 44.05 1rqm s LEU 75 CO 0.05 -0.19 -0.23 -0.63 -0.29 0.00 0.00 176.35 175.06 1rqm s ILE 76 N 1.11 2.21 -0.12 6.68 1.01 -1.07 -0.04 121.20 130.98 1rqm s ILE 76 Ca -0.09 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 59.52 1rqm s ILE 76 Cb -0.20 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1rqm s ILE 76 CO -0.05 0.56 0.09 -0.22 0.00 0.00 0.00 174.94 175.32 1rqm s LEU 77 N 0.06 4.06 0.16 2.97 0.20 -0.57 -0.84 118.68 124.72 1rqm s LEU 77 Ca -0.10 0.30 0.02 0.00 0.69 0.00 0.00 54.13 55.04 1rqm s LEU 77 Cb -0.15 -1.98 -0.05 0.00 -0.43 0.00 0.00 46.19 43.58 1rqm s LEU 77 CO 0.06 0.35 -0.00 -0.36 -0.29 0.00 0.00 176.35 176.11 1rqm s PHE 78 N -0.70 1.16 -0.17 5.38 0.40 0.79 -0.08 117.98 124.76 1rqm s PHE 78 Ca 0.12 -1.02 -0.18 0.00 -0.60 0.00 0.00 56.93 55.26 1rqm s PHE 78 Cb -0.12 -0.66 0.05 0.00 0.51 0.00 0.00 43.02 42.80 1rqm s PHE 78 CO 0.03 -0.22 0.50 -1.59 0.70 0.00 0.00 175.22 174.63 1rqm s LYS 79 N -3.91 0.60 -1.37 0.44 -2.85 0.08 -0.50 119.74 112.22 1rqm s LYS 79 Ca 0.23 0.63 -0.12 0.00 -1.00 0.00 0.00 55.97 55.71 1rqm s LYS 79 Cb 0.06 0.29 0.02 0.00 -2.06 0.00 0.00 37.83 36.14 1rqm s LYS 79 CO 0.03 -0.09 0.22 0.41 0.10 0.00 0.00 175.35 176.03 1rqm n GLY 80 N 2.66 -0.35 2.08 0.59 0.00 -1.18 -0.80 105.19 108.19 1rqm n GLY 80 Ca -0.14 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.36 1.74 3.42 -0.02 0.00 0.63 -4.78 105.19 103.82 1rqm n GLY 81 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.31 3.57 0.20 1.61 2.12 0.02 -4.99 118.70 120.92 1rqm s GLU 82 Ca 0.00 -0.54 -0.30 0.00 0.36 0.00 0.00 54.97 54.49 1rqm s GLU 82 Cb 0.00 -3.07 -0.08 0.00 0.26 0.00 0.00 34.13 31.24 1rqm s GLU 82 CO 0.00 -0.03 1.23 -1.25 -0.54 0.00 0.00 175.26 174.67 1rqm s PRO 83 N 1.10 4.46 -0.21 4.30 0.04 -1.26 -0.74 135.00 142.69 1rqm s PRO 83 Ca 0.02 1.94 -0.16 0.00 0.04 0.00 0.00 61.00 62.84 1rqm s PRO 83 Cb -0.14 -3.22 -0.08 0.00 0.04 0.00 0.00 34.50 31.10 1rqm s PRO 83 CO 0.01 -0.12 -0.35 0.28 0.04 0.00 0.00 177.00 176.86 1rqm n VAL 84 N 2.38 1.50 -3.71 -0.36 0.31 0.89 -4.94 118.33 114.40 1rqm n VAL 84 Ca 0.04 -0.06 -0.10 0.00 -0.01 0.00 0.00 64.34 64.22 1rqm n VAL 84 Cb 0.44 -2.16 -0.04 0.00 -0.91 0.00 0.00 33.84 31.18 1rqm n VAL 84 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1rqm s LYS 85 N -2.74 1.34 -0.08 5.55 -2.85 -1.18 -5.01 119.74 114.77 1rqm s LYS 85 Ca -0.32 -0.83 0.05 0.00 -1.00 0.00 0.00 55.97 53.87 1rqm s LYS 85 Cb 0.08 0.52 -0.00 0.00 -2.06 0.00 0.00 37.83 36.36 1rqm s LYS 85 CO 0.44 -0.56 -0.23 -1.14 0.10 0.00 0.00 175.35 173.96 1rqm s GLN 86 N -3.86 2.71 0.01 1.78 0.74 -1.26 -1.52 119.66 118.27 1rqm s GLN 86 Ca 0.08 -0.85 0.03 0.00 0.05 0.00 0.00 55.36 54.68 1rqm s GLN 86 Cb -0.01 -2.15 -0.03 0.00 1.10 0.00 0.00 33.01 31.92 1rqm s GLN 86 CO -0.04 0.25 -0.06 -0.51 -0.55 0.00 0.00 175.29 174.38 1rqm s LEU 87 N 0.16 3.22 -0.04 3.68 2.01 0.95 -4.99 118.68 123.66 1rqm s LEU 87 Ca -0.12 -0.14 -0.02 0.00 0.01 0.00 0.00 54.13 53.85 1rqm s LEU 87 Cb -0.16 -1.86 0.03 0.00 0.01 0.00 0.00 46.19 44.21 1rqm s LEU 87 CO 0.06 0.27 0.06 0.27 1.01 0.00 0.00 176.35 178.02 1rqm s ILE 88 N -1.04 -0.07 0.00 -0.59 -4.36 -1.26 -1.08 121.20 112.80 1rqm s ILE 88 Ca 0.18 0.40 0.00 0.00 -0.26 0.00 0.00 60.65 60.97 1rqm s ILE 88 Cb -0.11 -0.18 0.00 0.00 1.25 0.00 0.00 42.46 43.42 1rqm s ILE 88 CO 0.09 0.19 0.00 0.61 0.24 0.00 0.00 174.94 176.06 1rqm n GLY 89 N 5.28 -0.15 3.58 6.27 0.00 0.06 -4.80 105.19 115.42 1rqm n GLY 89 Ca -0.04 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 1rqm n GLY 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rqm s TYR 90 N -2.11 2.26 0.19 1.61 6.14 -1.26 -4.83 117.35 119.35 1rqm s TYR 90 Ca 0.00 -0.31 -0.30 0.00 0.64 0.00 0.00 57.07 57.10 1rqm s TYR 90 Cb 0.00 -4.29 -0.09 0.00 0.42 0.00 0.00 41.96 38.00 1rqm s TYR 90 CO 0.00 -1.47 1.35 -0.65 0.64 0.00 0.00 175.55 175.42 1rqm s GLN 91 N 5.66 4.35 0.79 4.97 -1.52 -1.26 -5.04 119.66 127.61 1rqm s GLN 91 Ca 0.63 2.11 -0.11 0.00 -1.95 0.00 0.00 55.36 56.04 1rqm s GLN 91 Cb 0.01 -3.19 0.07 0.00 -0.22 0.00 0.00 33.01 29.68 1rqm s GLN 91 CO 0.10 -0.32 1.10 -1.25 -0.25 0.00 0.00 175.29 174.67 1rqm s PRO 92 N 0.05 2.09 0.26 2.91 0.04 -1.26 -4.70 135.00 134.40 1rqm s PRO 92 Ca 0.59 1.24 -0.02 0.00 0.04 0.00 0.00 61.00 62.85 1rqm s PRO 92 Cb -0.38 -1.87 0.45 0.00 0.04 0.00 0.00 34.50 32.74 1rqm s PRO 92 CO 0.38 -1.78 1.84 0.87 0.04 0.00 0.00 177.00 178.34 1rqm h LYS 93 N -1.19 0.92 -0.02 4.56 6.56 -1.96 0.34 116.57 125.80 1rqm h LYS 93 Ca -0.44 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1rqm h LYS 93 Cb 1.24 -0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 32.69 1rqm h LYS 93 CO 0.50 0.61 0.01 1.49 -2.06 0.00 0.00 179.45 180.00 1rqm h GLU 94 N 0.95 0.00 0.06 3.15 4.81 -1.98 0.28 114.58 121.85 1rqm h GLU 94 Ca 0.44 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.51 1rqm h GLU 94 Cb 0.36 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1rqm h GLU 94 CO -0.23 0.00 -0.78 0.37 -0.73 0.00 0.00 179.01 177.64 1rqm h GLN 95 N 0.00 0.12 0.64 1.92 -0.00 -1.37 -2.86 115.11 113.56 1rqm h GLN 95 Ca 0.01 -0.21 -0.03 0.00 -0.00 0.00 0.00 58.65 58.42 1rqm h GLN 95 Cb 0.03 0.08 -0.00 0.00 0.00 0.00 0.00 27.48 27.59 1rqm h GLN 95 CO -0.00 1.10 -0.37 1.25 0.00 0.00 0.00 178.83 180.81 1rqm h LEU 96 N -0.69 -0.93 -1.61 -2.39 6.46 -0.64 0.10 115.31 115.60 1rqm h LEU 96 Ca -0.18 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.59 1rqm h LEU 96 Cb 1.39 0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 41.58 1rqm h LEU 96 CO 0.00 -0.59 -0.18 -0.33 -0.62 0.00 0.00 178.44 176.73 1rqm h GLU 97 N -0.94 0.02 0.00 1.25 4.39 -0.66 -1.14 114.58 117.49 1rqm h GLU 97 Ca -0.09 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 1rqm h GLU 97 Cb 0.75 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1rqm h GLU 97 CO 0.10 0.20 -0.30 0.00 -1.16 0.00 0.00 179.01 177.85 1rqm h ALA 98 N 1.80 1.14 0.00 3.43 0.00 -1.21 0.51 119.26 124.94 1rqm h ALA 98 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1rqm h ALA 98 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1rqm h ALA 98 CO 0.02 0.38 0.00 1.96 0.00 0.00 0.00 179.25 181.61 1rqm h GLN 99 N 0.00 0.00 0.00 0.00 7.50 0.41 -3.39 115.11 119.63 1rqm h GLN 99 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1rqm h GLN 99 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.24 1rqm h GLN 99 CO 0.04 0.00 0.00 -0.11 -1.50 0.00 0.00 178.83 177.26 1rqm n LEU 100 N -2.66 0.06 0.20 1.46 7.94 -0.33 -4.71 117.00 118.96 1rqm n LEU 100 Ca 0.03 -0.32 0.13 0.00 -1.11 0.00 0.00 56.01 54.74 1rqm n LEU 100 Cb 0.35 0.00 0.72 0.00 0.53 0.00 0.00 43.42 45.02 1rqm n LEU 100 CO 0.27 0.01 0.91 0.00 -1.11 0.00 0.00 177.39 177.47 1rqm h ALA 101 N 0.00 1.00 0.00 1.96 0.00 -0.25 0.24 119.26 122.21 1rqm h ALA 101 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rqm h ALA 101 Cb 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1rqm h ALA 101 CO 0.00 -0.00 -0.02 0.38 0.00 0.00 0.00 179.25 179.61 1rqm h ASP 102 N 0.00 0.00 0.00 0.00 2.03 -1.84 -1.60 116.42 115.01 1rqm h ASP 102 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1rqm h ASP 102 Cb 0.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 1rqm h ASP 102 CO 0.00 0.02 0.00 1.33 -1.03 0.00 0.00 179.24 179.56 1rqm n VAL 103 N -3.11 0.00 0.56 4.15 0.24 0.25 -4.27 118.33 116.14 1rqm n VAL 103 Ca 0.01 -0.34 0.11 0.00 -2.04 0.00 0.00 64.34 62.08 1rqm n VAL 103 Cb 0.37 1.11 0.27 0.00 -1.47 0.00 0.00 33.84 34.12 1rqm n VAL 103 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1rqm n LEU 104 N -0.45 2.82 0.00 1.34 7.99 0.58 -4.97 117.00 124.31 1rqm n LEU 104 Ca 0.00 -1.26 0.00 0.00 -0.01 0.00 0.00 56.01 54.74 1rqm n LEU 104 Cb 0.03 -0.24 0.00 0.00 -0.11 0.00 0.00 43.42 43.10 1rqm n LEU 104 CO 0.00 0.63 0.16 1.67 -1.51 0.00 0.00 177.39 178.34