#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqm s THR 2 N 0.00 0.07 0.19 0.00 2.01 -1.26 -3.21 115.64 113.43 1rqm s THR 2 Ca 0.00 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.43 1rqm s THR 2 Cb 0.00 -0.82 -0.01 0.00 0.01 0.00 0.00 72.50 71.68 1rqm s THR 2 CO 0.00 -0.33 0.14 0.23 -0.69 0.00 0.00 174.62 173.96 1rqm n MET 3 N 0.84 0.32 -3.70 4.92 2.81 0.24 -4.94 117.12 117.61 1rqm n MET 3 Ca -0.20 -1.80 -0.12 0.00 -1.81 0.00 0.00 57.70 53.77 1rqm n MET 3 Cb 0.58 1.38 -0.07 0.00 -0.71 0.00 0.00 33.22 34.40 1rqm n MET 3 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1rqm s THR 4 N -2.66 0.07 0.19 2.03 2.01 -1.26 -3.84 115.64 112.19 1rqm s THR 4 Ca 0.19 -0.54 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 1rqm s THR 4 Cb 0.01 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1rqm s THR 4 CO 0.14 -0.30 0.13 -0.76 -0.69 0.00 0.00 174.62 173.14 1rqm s LEU 5 N -1.99 1.19 0.00 4.42 1.43 -1.20 -4.92 118.68 117.61 1rqm s LEU 5 Ca -0.06 -1.36 0.00 0.00 -1.03 0.00 0.00 54.13 51.69 1rqm s LEU 5 Cb -0.01 0.41 0.00 0.00 0.03 0.00 0.00 46.19 46.62 1rqm s LEU 5 CO -0.02 -0.84 0.00 0.35 0.23 0.00 0.00 176.35 176.07 1rqm n THR 6 N -0.26 0.00 0.04 5.49 -2.24 -1.26 -4.76 114.28 111.30 1rqm n THR 6 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1rqm n THR 6 Cb 0.66 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1rqm n THR 6 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1rqm n ASP 7 N 0.00 0.38 0.02 3.42 2.03 -1.26 -4.56 116.55 116.58 1rqm n ASP 7 Ca 0.00 0.13 0.17 0.00 0.52 0.00 0.00 54.79 55.62 1rqm n ASP 7 Cb 0.00 -0.06 0.65 0.00 -0.72 0.00 0.00 41.12 41.00 1rqm n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rqm h ALA 8 N 0.00 2.36 0.00 -1.67 0.00 -1.96 0.72 119.26 118.70 1rqm h ALA 8 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1rqm h ALA 8 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1rqm h ALA 8 CO 0.00 -0.49 -0.18 -0.97 0.00 0.00 0.00 179.25 177.61 1rqm h ASN 9 N 0.07 0.00 0.71 0.00 -0.73 -1.97 -2.95 115.58 110.71 1rqm h ASN 9 Ca 0.22 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.36 1rqm h ASN 9 Cb 0.80 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.40 1rqm h ASN 9 CO -0.02 0.18 -0.34 0.15 -0.37 0.00 0.00 177.43 177.04 1rqm h PHE 10 N 0.00 -0.88 -0.52 0.67 3.57 -1.09 0.15 116.94 118.83 1rqm h PHE 10 Ca -0.00 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.49 1rqm h PHE 10 Cb 0.84 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 1rqm h PHE 10 CO 0.00 -0.52 0.35 0.37 -2.23 0.00 0.00 178.31 176.28 1rqm h GLN 11 N -1.15 0.65 0.29 1.11 4.15 -1.60 -0.24 115.11 118.31 1rqm h GLN 11 Ca -0.10 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 1rqm h GLN 11 Cb 0.75 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.30 1rqm h GLN 11 CO 0.16 0.43 -0.14 0.37 -1.93 0.00 0.00 178.83 177.72 1rqm h GLN 12 N 0.67 -0.37 -0.57 1.69 4.15 -1.48 -3.26 115.11 115.94 1rqm h GLN 12 Ca 0.20 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 1rqm h GLN 12 Cb -0.02 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 1rqm h GLN 12 CO -0.05 -0.16 0.34 0.00 -1.93 0.00 0.00 178.83 177.04 1rqm h ALA 13 N 0.14 0.73 -0.00 3.38 0.00 0.48 -2.36 119.26 121.62 1rqm h ALA 13 Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1rqm h ALA 13 Cb 0.39 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1rqm h ALA 13 CO 0.07 0.21 0.00 -0.84 0.00 0.00 0.00 179.25 178.69 1rqm h ILE 14 N 0.77 0.36 0.00 0.00 3.07 -1.18 -0.47 117.51 120.06 1rqm h ILE 14 Ca 0.20 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.61 1rqm h ILE 14 Cb -0.01 1.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.54 1rqm h ILE 14 CO -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.06 1rqm n GLN 15 N -3.60 0.05 -1.78 0.16 -0.00 -0.89 -0.08 117.38 111.24 1rqm n GLN 15 Ca -0.03 0.26 -0.42 0.00 -0.00 0.00 0.00 57.00 56.81 1rqm n GLN 15 Cb 0.08 -1.58 -0.03 0.00 -0.00 0.00 0.00 30.24 28.71 1rqm n GLN 15 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1rqm s GLY 16 N -3.13 1.48 -0.20 2.61 0.00 -0.19 -4.16 107.32 103.73 1rqm s GLY 16 Ca 0.07 1.54 0.00 0.00 0.00 0.00 0.00 44.72 46.34 1rqm s GLY 16 CO 0.33 2.76 1.71 1.34 0.00 0.00 0.00 173.10 179.24 1rqm n ASP 17 N 3.57 4.91 -3.24 1.64 2.03 -1.26 -0.56 116.55 123.64 1rqm n ASP 17 Ca 0.14 -2.75 -0.19 0.00 0.52 0.00 0.00 54.79 52.51 1rqm n ASP 17 Cb 0.36 -0.88 -0.07 0.00 -0.72 0.00 0.00 41.12 39.82 1rqm n ASP 17 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1rqm s GLY 18 N 0.46 2.19 -0.68 0.27 0.00 -1.26 -4.71 107.32 103.59 1rqm s GLY 18 Ca 0.22 -1.97 -0.26 0.00 0.00 0.00 0.00 44.72 42.71 1rqm s GLY 18 CO 0.01 -1.36 2.42 -1.55 0.00 0.00 0.00 173.10 172.63 1rqm n PRO 19 N -0.64 0.74 -3.70 2.90 -0.04 -1.26 -4.16 135.00 128.84 1rqm n PRO 19 Ca 0.06 -0.51 -0.36 0.00 -0.04 0.00 0.00 63.50 62.65 1rqm n PRO 19 Cb 0.62 -3.56 -0.09 0.00 -0.04 0.00 0.00 33.50 30.43 1rqm n PRO 19 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1rqm s VAL 20 N 13.67 5.32 -0.13 0.52 1.01 -0.00 -1.17 120.40 139.61 1rqm s VAL 20 Ca 0.96 0.16 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1rqm s VAL 20 Cb -0.16 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1rqm s VAL 20 CO 0.16 0.38 -0.12 -0.22 0.00 0.00 0.00 175.10 175.30 1rqm s LEU 21 N 0.86 1.48 -0.17 3.92 2.96 -0.41 -0.16 118.68 127.16 1rqm s LEU 21 Ca 0.07 -0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 53.50 1rqm s LEU 21 Cb -0.13 -1.02 -0.05 0.00 0.50 0.00 0.00 46.19 45.50 1rqm s LEU 21 CO 0.03 -0.07 0.13 0.54 -1.32 0.00 0.00 176.35 175.65 1rqm s VAL 22 N 1.50 5.38 -0.47 1.68 0.11 -0.23 -0.08 120.40 128.28 1rqm s VAL 22 Ca 0.03 0.17 -0.20 0.00 -2.93 0.00 0.00 61.98 59.06 1rqm s VAL 22 Cb -0.13 -3.41 0.04 0.00 -1.53 0.00 0.00 36.38 31.35 1rqm s VAL 22 CO -0.08 0.51 0.62 -0.62 -3.33 0.00 0.00 175.10 172.20 1rqm s ASP 23 N -0.15 6.26 -0.42 3.54 2.15 0.77 -2.97 116.67 125.86 1rqm s ASP 23 Ca 0.10 -0.63 -0.27 0.00 0.43 0.00 0.00 52.55 52.18 1rqm s ASP 23 Cb -0.11 -2.30 0.02 0.00 -0.30 0.00 0.00 42.92 40.23 1rqm s ASP 23 CO 0.00 -0.83 1.01 -0.36 -0.17 0.00 0.00 175.17 174.82 1rqm s PHE 24 N 2.71 2.96 0.23 -5.34 0.08 0.34 -0.57 117.98 118.38 1rqm s PHE 24 Ca 0.18 0.68 0.00 0.00 0.12 0.00 0.00 56.93 57.92 1rqm s PHE 24 Cb -0.17 -3.99 0.00 0.00 -0.57 0.00 0.00 43.02 38.29 1rqm s PHE 24 CO 0.15 -1.04 0.01 -2.67 -0.10 0.00 0.00 175.22 171.57 1rqm n TRP 25 N 7.23 0.49 -3.87 0.36 4.27 -0.76 -1.79 117.44 123.37 1rqm n TRP 25 Ca 0.09 -1.13 -0.09 0.00 -3.89 0.00 0.00 57.50 52.47 1rqm n TRP 25 Cb 0.48 -0.15 -0.07 0.00 -1.36 0.00 0.00 31.31 30.21 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 -2.40 -0.21 -2.00 -1.67 0.00 -1.26 -0.51 121.76 113.71 1rqm s ALA 26 Ca 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.34 1rqm s ALA 26 Cb -0.00 0.60 0.17 0.00 0.00 0.00 0.00 23.12 23.89 1rqm s ALA 26 CO 0.00 -0.56 0.49 0.00 0.00 0.00 0.00 175.76 175.69 1rqm n ALA 27 N -0.11 1.76 0.02 0.00 0.00 -1.26 -3.30 120.51 117.62 1rqm n ALA 27 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1rqm n ALA 27 Cb 0.63 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.68 -0.19 0.00 0.00 2.14 -1.26 -5.06 117.44 112.39 1rqm n TRP 28 Ca 0.02 0.03 0.00 0.00 2.07 0.00 0.00 57.50 59.62 1rqm n TRP 28 Cb 0.01 0.11 0.00 0.00 -0.81 0.00 0.00 31.31 30.62 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 0.00 1.67 0.30 0.00 0.00 -1.26 -4.88 105.19 101.01 1rqm n GLY 30 Ca 0.00 -0.77 0.20 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.93 1.61 0.13 -1.92 0.53 132.00 131.42 1rqm h PRO 31 Ca 0.00 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.34 1rqm h PRO 31 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1rqm h PRO 31 CO 0.00 0.00 0.61 0.00 -0.23 0.00 0.00 178.00 178.38 1rqm n ARG 33 N -4.53 0.16 -0.00 0.00 0.63 0.18 -0.14 116.66 112.96 1rqm n ARG 33 Ca 0.20 0.49 0.08 0.00 -0.92 0.00 0.00 57.85 57.70 1rqm n ARG 33 Cb 0.73 -1.87 -0.11 0.00 0.45 0.00 0.00 32.46 31.66 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 -2.18 1.13 -0.05 -0.14 2.81 -0.12 -4.40 117.12 114.17 1rqm n MET 34 Ca 0.01 -0.08 -0.15 0.00 -1.81 0.00 0.00 57.70 55.67 1rqm n MET 34 Cb 0.15 -1.31 -0.14 0.00 -0.71 0.00 0.00 33.22 31.21 1rqm n MET 34 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1rqm n MET 35 N -1.74 0.69 -0.16 0.03 0.00 -0.81 -3.94 117.12 111.18 1rqm n MET 35 Ca -0.00 0.20 -0.03 0.00 -0.00 0.00 0.00 57.70 57.86 1rqm n MET 35 Cb 0.33 -1.66 0.03 0.00 0.00 0.00 0.00 33.22 31.92 1rqm n MET 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1rqm h ALA 36 N 0.53 0.27 -0.42 -5.12 0.00 -0.75 0.27 119.26 114.05 1rqm h ALA 36 Ca -0.43 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1rqm h ALA 36 Cb 2.05 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 20.26 1rqm h ALA 36 CO 0.04 -0.48 0.05 -1.00 0.00 0.00 0.00 179.25 177.86 1rqm h PRO 37 N -0.04 0.64 -0.88 0.00 0.13 -1.77 0.69 132.00 130.78 1rqm h PRO 37 Ca 0.24 -0.14 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 1rqm h PRO 37 Cb 0.41 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 31.41 1rqm h PRO 37 CO -0.54 0.63 0.47 0.28 -0.23 0.00 0.00 178.00 178.60 1rqm h VAL 38 N 0.62 1.26 -0.10 1.56 2.07 -1.24 -1.25 116.25 119.16 1rqm h VAL 38 Ca 0.13 -0.66 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 1rqm h VAL 38 Cb 0.32 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1rqm h VAL 38 CO 0.01 0.30 -0.38 -0.07 0.02 0.00 0.00 177.57 177.45 1rqm h LEU 39 N 1.24 0.22 -0.01 2.57 4.07 -0.02 -1.01 115.31 122.37 1rqm h LEU 39 Ca 0.31 -0.08 -0.00 0.00 0.08 0.00 0.00 57.88 58.18 1rqm h LEU 39 Cb 0.05 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.73 1rqm h LEU 39 CO -0.05 0.58 -0.00 -0.08 -1.08 0.00 0.00 178.44 177.81 1rqm h GLU 40 N 0.18 0.01 -0.37 1.13 4.81 -0.17 0.21 114.58 120.40 1rqm h GLU 40 Ca 0.02 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1rqm h GLU 40 Cb 0.75 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 1rqm h GLU 40 CO 0.06 0.43 0.12 0.93 -0.73 0.00 0.00 179.01 179.82 1rqm h GLU 41 N -0.41 0.25 -0.74 1.92 5.08 -1.25 -0.70 114.58 118.75 1rqm h GLU 41 Ca 0.00 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1rqm h GLU 41 Cb 0.43 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1rqm h GLU 41 CO 0.00 0.17 0.46 0.35 -1.00 0.00 0.00 179.01 178.98 1rqm h PHE 42 N 0.26 0.85 0.32 4.33 3.04 -1.08 -0.31 116.94 124.35 1rqm h PHE 42 Ca 0.17 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 1rqm h PHE 42 Cb 0.16 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.39 1rqm h PHE 42 CO -0.15 0.47 -0.15 0.00 -2.02 0.00 0.00 178.31 176.45 1rqm h ALA 43 N 1.33 -0.43 -0.63 2.41 0.00 -0.08 -2.40 119.26 119.45 1rqm h ALA 43 Ca 0.30 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.22 1rqm h ALA 43 Cb 0.06 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 1rqm h ALA 43 CO -0.13 -0.72 0.20 0.93 0.00 0.00 0.00 179.25 179.54 1rqm h GLU 44 N -0.47 0.35 0.00 0.00 5.08 -0.81 0.21 114.58 118.94 1rqm h GLU 44 Ca -0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1rqm h GLU 44 Cb 0.36 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1rqm h GLU 44 CO 0.07 0.23 0.00 0.00 -1.00 0.00 0.00 179.01 178.31 1rqm n ALA 45 N -2.53 1.59 -0.95 3.43 0.00 -0.16 -3.76 120.51 118.13 1rqm n ALA 45 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1rqm n ALA 45 Cb 0.32 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1rqm n ALA 45 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rqm n HIS 46 N -1.61 0.00 -0.08 0.00 8.25 -0.35 -5.04 115.22 116.39 1rqm n HIS 46 Ca 0.03 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1rqm n HIS 46 Cb 0.16 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.28 1rqm n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rqm n ALA 47 N -0.01 -0.00 -0.34 -1.41 0.00 0.61 -0.73 120.51 118.62 1rqm n ALA 47 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 53.44 53.67 1rqm n ALA 47 Cb 0.33 -0.11 0.01 0.00 0.00 0.00 0.00 19.45 19.68 1rqm n ALA 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rqm n ASP 48 N -4.33 1.49 0.19 0.00 8.00 -1.26 -0.54 116.55 120.10 1rqm n ASP 48 Ca 0.03 -1.81 0.06 0.00 0.71 0.00 0.00 54.79 53.77 1rqm n ASP 48 Cb 0.09 -0.03 0.38 0.00 -0.02 0.00 0.00 41.12 41.55 1rqm n ASP 48 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1rqm h LYS 49 N 0.00 0.00 -5.12 -1.24 3.64 -1.34 -3.44 116.57 109.07 1rqm h LYS 49 Ca 0.00 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.86 1rqm h LYS 49 Cb 0.67 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.35 1rqm h LYS 49 CO 0.00 0.35 -0.56 0.14 -2.27 0.00 0.00 179.45 177.12 1rqm s VAL 50 N -3.76 0.88 -0.15 2.00 -7.23 -1.18 -4.67 120.40 106.30 1rqm s VAL 50 Ca -0.01 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.13 1rqm s VAL 50 Cb 0.12 -2.54 0.05 0.00 0.56 0.00 0.00 36.38 34.57 1rqm s VAL 50 CO 0.68 0.00 0.05 0.28 -0.31 0.00 0.00 175.10 175.81 1rqm s THR 51 N -3.25 0.18 0.39 5.32 -1.32 -0.32 -0.26 115.64 116.39 1rqm s THR 51 Ca 0.29 -0.18 -0.03 0.00 -1.21 0.00 0.00 61.69 60.56 1rqm s THR 51 Cb 0.05 -0.67 -0.04 0.00 -1.51 0.00 0.00 72.50 70.34 1rqm s THR 51 CO 0.14 -0.12 0.65 0.54 -2.21 0.00 0.00 174.62 173.62 1rqm s VAL 52 N 2.02 5.01 0.26 5.08 0.11 -1.20 -1.29 120.40 130.40 1rqm s VAL 52 Ca 0.02 -0.10 -0.09 0.00 -2.93 0.00 0.00 61.98 58.88 1rqm s VAL 52 Cb -0.15 -3.84 -0.01 0.00 -1.53 0.00 0.00 36.38 30.84 1rqm s VAL 52 CO -0.07 -0.65 0.42 0.00 -3.33 0.00 0.00 175.10 171.48 1rqm s ALA 53 N -2.46 0.19 -0.02 1.54 0.00 0.88 -0.60 121.76 121.30 1rqm s ALA 53 Ca 0.44 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1rqm s ALA 53 Cb -0.10 1.13 0.03 0.00 0.00 0.00 0.00 23.12 24.18 1rqm s ALA 53 CO 0.39 -0.80 0.02 0.21 0.00 0.00 0.00 175.76 175.58 1rqm s LYS 54 N -3.82 0.01 0.00 0.00 2.20 -1.25 -0.16 119.74 116.73 1rqm s LYS 54 Ca 0.27 0.15 -0.14 0.00 -0.36 0.00 0.00 55.97 55.88 1rqm s LYS 54 Cb 0.01 -0.24 0.02 0.00 -1.51 0.00 0.00 37.83 36.10 1rqm s LYS 54 CO 0.12 -0.14 0.30 -0.48 -0.36 0.00 0.00 175.35 174.79 1rqm s LEU 55 N 0.91 0.89 -0.34 5.43 0.05 0.26 -3.25 118.68 122.64 1rqm s LEU 55 Ca -0.08 -0.00 -0.25 0.00 0.05 0.00 0.00 54.13 53.85 1rqm s LEU 55 Cb -0.11 1.26 0.01 0.00 -2.05 0.00 0.00 46.19 45.30 1rqm s LEU 55 CO -0.02 -0.49 0.87 0.21 -0.55 0.00 0.00 176.35 176.37 1rqm s ASN 56 N -1.52 6.68 0.53 1.48 2.47 -1.26 -1.83 114.94 121.50 1rqm s ASN 56 Ca -0.11 0.63 0.29 0.00 0.42 0.00 0.00 52.86 54.09 1rqm s ASN 56 Cb -0.04 -2.44 1.50 0.00 -1.45 0.00 0.00 41.25 38.82 1rqm s ASN 56 CO 0.02 -0.74 2.08 1.62 -3.72 0.00 0.00 177.10 176.36 1rqm h VAL 57 N 5.71 0.49 0.01 -5.21 3.04 -1.09 -1.32 116.25 117.87 1rqm h VAL 57 Ca -0.23 -0.50 -0.00 0.00 -1.01 0.00 0.00 66.70 64.95 1rqm h VAL 57 Cb 1.09 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.70 1rqm h VAL 57 CO 0.94 0.10 -0.00 -0.78 -1.01 0.00 0.00 177.57 176.82 1rqm h ASP 58 N 0.00 -0.01 0.00 3.17 3.58 -1.93 -3.19 116.42 118.04 1rqm h ASP 58 Ca -0.00 -0.34 -0.06 0.00 0.42 0.00 0.00 57.03 57.05 1rqm h ASP 58 Cb 0.33 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1rqm h ASP 58 CO 0.01 0.34 -0.15 -0.08 -2.88 0.00 0.00 179.24 176.48 1rqm h GLU 59 N -0.35 0.30 -3.53 0.28 4.81 -1.80 -3.38 114.58 110.92 1rqm h GLU 59 Ca -0.00 -0.08 -0.71 0.00 -0.13 0.00 0.00 59.36 58.44 1rqm h GLU 59 Cb 0.34 -0.04 -0.34 0.00 0.63 0.00 0.00 28.75 29.35 1rqm h GLU 59 CO 0.00 0.46 -0.21 1.21 -0.73 0.00 0.00 179.01 179.74 1rqm s ASN 60 N -6.85 5.68 0.26 1.04 3.04 -0.56 -4.65 114.94 112.90 1rqm s ASN 60 Ca -0.06 -3.10 0.14 0.00 0.04 0.00 0.00 52.86 49.88 1rqm s ASN 60 Cb 0.15 -1.92 0.06 0.00 -1.54 0.00 0.00 41.25 38.00 1rqm s ASN 60 CO 0.75 -0.34 1.44 1.55 -3.04 0.00 0.00 177.10 177.46 1rqm h PRO 61 N 6.82 0.00 -6.75 0.43 0.13 -1.75 -3.41 132.00 127.47 1rqm h PRO 61 Ca 0.05 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.67 1rqm h PRO 61 Cb 0.92 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.07 1rqm h PRO 61 CO 0.76 0.56 0.52 -2.00 -0.23 0.00 0.00 178.00 177.60 1rqm s GLU 62 N -2.96 4.56 0.00 0.86 -6.30 -1.26 -1.32 118.70 112.28 1rqm s GLU 62 Ca 0.03 1.86 0.00 0.00 -2.50 0.00 0.00 54.97 54.36 1rqm s GLU 62 Cb 0.08 -3.20 0.00 0.00 0.00 0.00 0.00 34.13 31.01 1rqm s GLU 62 CO 0.75 0.06 0.00 2.41 0.02 0.00 0.00 175.26 178.50 1rqm n THR 63 N 1.72 0.00 0.00 -1.70 -1.04 -1.26 -4.68 114.28 107.32 1rqm n THR 63 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1rqm n THR 63 Cb 0.45 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 1rqm n THR 63 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1rqm n THR 64 N -0.83 0.00 0.23 12.58 -1.04 -1.17 -2.56 114.28 121.49 1rqm n THR 64 Ca 0.00 1.22 0.07 0.00 -2.04 0.00 0.00 64.05 63.30 1rqm n THR 64 Cb 0.00 -2.18 0.55 0.00 -1.82 0.00 0.00 70.33 66.88 1rqm n THR 64 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1rqm h SER 65 N 0.00 0.00 -0.05 8.00 0.87 -1.48 -0.12 113.55 120.78 1rqm h SER 65 Ca 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1rqm h SER 65 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1rqm h SER 65 CO 0.00 0.19 0.06 -0.61 -0.53 0.00 0.00 176.83 175.94 1rqm h GLN 66 N 0.00 0.00 0.00 2.24 4.15 -1.75 -2.15 115.11 117.60 1rqm h GLN 66 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1rqm h GLN 66 Cb 0.37 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1rqm h GLN 66 CO 0.02 0.00 -0.01 1.19 -1.93 0.00 0.00 178.83 178.11 1rqm n PHE 67 N -3.73 0.00 -1.86 3.99 3.01 -0.44 -5.00 117.46 113.43 1rqm n PHE 67 Ca -0.02 -0.64 -0.15 0.00 1.01 0.00 0.00 57.45 57.65 1rqm n PHE 67 Cb 0.15 -0.08 -0.04 0.00 -0.01 0.00 0.00 39.48 39.50 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 -0.79 0.64 3.56 1.37 0.00 -0.65 -4.89 105.19 104.42 1rqm n GLY 68 Ca 0.05 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.65 3.35 0.00 -0.61 -1.09 -0.19 -4.54 121.20 115.47 1rqm s ILE 69 Ca 0.00 -0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 1rqm s ILE 69 Cb 0.00 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1rqm s ILE 69 CO 0.00 -0.78 0.00 0.23 -1.23 0.00 0.00 174.94 173.16 1rqm n MET 70 N 8.97 3.57 -1.20 2.79 2.81 -1.26 -4.74 117.12 128.06 1rqm n MET 70 Ca 0.34 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 56.01 1rqm n MET 70 Cb 0.49 -0.45 -0.11 0.00 -0.71 0.00 0.00 33.22 32.44 1rqm n MET 70 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1rqm n SER 71 N -0.68 6.49 -4.78 7.83 2.88 -1.26 -4.96 113.62 119.15 1rqm n SER 71 Ca 0.00 -2.63 -0.34 0.00 -1.33 0.00 0.00 58.87 54.58 1rqm n SER 71 Cb 0.00 -1.43 0.02 0.00 -0.75 0.00 0.00 64.21 62.05 1rqm n SER 71 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1rqm s ILE 72 N 0.81 3.35 0.18 2.46 -4.36 -1.26 -3.08 121.20 119.29 1rqm s ILE 72 Ca 0.66 0.71 -0.32 0.00 -0.26 0.00 0.00 60.65 61.44 1rqm s ILE 72 Cb 0.28 -3.23 -0.11 0.00 1.25 0.00 0.00 42.46 40.66 1rqm s ILE 72 CO -0.05 -0.31 1.62 -2.16 0.24 0.00 0.00 174.94 174.28 1rqm s PRO 73 N -3.78 4.18 -0.03 0.37 0.04 -1.26 -4.58 135.00 129.95 1rqm s PRO 73 Ca 0.68 2.44 0.03 0.00 0.04 0.00 0.00 61.00 64.20 1rqm s PRO 73 Cb -0.21 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 1rqm s PRO 73 CO 0.35 -0.66 -0.11 0.99 0.04 0.00 0.00 177.00 177.60 1rqm s THR 74 N 1.18 3.31 -0.25 1.26 2.01 -0.74 -0.33 115.64 122.07 1rqm s THR 74 Ca 0.72 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.95 1rqm s THR 74 Cb -0.46 -2.36 0.08 0.00 0.01 0.00 0.00 72.50 69.77 1rqm s THR 74 CO 0.31 0.50 0.06 -0.22 -0.69 0.00 0.00 174.62 174.59 1rqm s LEU 75 N -1.03 1.67 -0.16 4.42 0.20 0.22 -0.50 118.68 123.49 1rqm s LEU 75 Ca 0.14 -1.21 -0.04 0.00 0.69 0.00 0.00 54.13 53.70 1rqm s LEU 75 Cb -0.11 -0.73 -0.03 0.00 -0.43 0.00 0.00 46.19 44.89 1rqm s LEU 75 CO 0.03 -0.35 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.07 1rqm s ILE 76 N 1.74 3.88 -0.42 6.68 1.01 -1.16 -0.15 121.20 132.78 1rqm s ILE 76 Ca 0.04 -0.36 -0.20 0.00 0.00 0.00 0.00 60.65 60.12 1rqm s ILE 76 Cb -0.17 -2.71 0.02 0.00 0.01 0.00 0.00 42.46 39.61 1rqm s ILE 76 CO -0.17 0.48 0.62 -0.22 0.00 0.00 0.00 174.94 175.66 1rqm s LEU 77 N 0.49 4.49 0.19 2.97 0.20 0.34 -1.06 118.68 126.29 1rqm s LEU 77 Ca -0.03 -0.29 0.05 0.00 0.69 0.00 0.00 54.13 54.55 1rqm s LEU 77 Cb -0.14 -2.71 -0.04 0.00 -0.43 0.00 0.00 46.19 42.88 1rqm s LEU 77 CO 0.03 -0.73 0.22 -0.36 -0.29 0.00 0.00 176.35 175.22 1rqm s PHE 78 N 2.74 3.29 -0.16 5.38 0.40 0.77 -1.08 117.98 129.32 1rqm s PHE 78 Ca 0.22 0.01 -0.08 0.00 -0.60 0.00 0.00 56.93 56.48 1rqm s PHE 78 Cb -0.14 -1.55 0.06 0.00 0.51 0.00 0.00 43.02 41.90 1rqm s PHE 78 CO 0.18 0.51 0.36 -1.59 0.70 0.00 0.00 175.22 175.38 1rqm s LYS 79 N -3.40 0.32 -1.71 0.44 0.00 0.09 -0.82 119.74 114.66 1rqm s LYS 79 Ca 0.33 0.78 0.00 0.00 0.00 0.00 0.00 55.97 57.08 1rqm s LYS 79 Cb -0.10 0.02 0.00 0.00 0.00 0.00 0.00 37.83 37.75 1rqm s LYS 79 CO 0.26 -0.19 0.00 0.41 0.00 0.00 0.00 175.35 175.83 1rqm n GLY 80 N 4.57 0.10 1.24 0.59 0.00 0.28 -0.79 105.19 111.18 1rqm n GLY 80 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.80 1.70 3.61 -0.02 0.00 0.88 -4.80 105.19 105.76 1rqm n GLY 81 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.62 3.97 -1.08 1.61 2.12 0.03 -4.94 118.70 119.79 1rqm s GLU 82 Ca 0.00 0.35 -0.23 0.00 0.36 0.00 0.00 54.97 55.45 1rqm s GLU 82 Cb 0.00 -3.70 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 1rqm s GLU 82 CO 0.00 -0.50 1.84 -1.25 -0.54 0.00 0.00 175.26 174.81 1rqm s PRO 83 N 2.53 2.89 0.22 4.30 0.04 -1.26 -0.73 135.00 142.98 1rqm s PRO 83 Ca 0.25 -0.97 -0.06 0.00 0.04 0.00 0.00 61.00 60.25 1rqm s PRO 83 Cb -0.15 -5.24 0.21 0.00 0.04 0.00 0.00 34.50 29.35 1rqm s PRO 83 CO 0.11 -3.27 1.73 -0.39 0.04 0.00 0.00 177.00 175.22 1rqm h VAL 84 N 6.56 1.25 -3.96 -0.36 -1.51 -1.45 -3.45 116.25 113.33 1rqm h VAL 84 Ca 0.21 -0.99 -0.13 0.00 -1.23 0.00 0.00 66.70 64.56 1rqm h VAL 84 Cb 0.96 0.66 -0.17 0.00 -2.13 0.00 0.00 31.29 30.62 1rqm h VAL 84 CO 1.28 0.37 -0.59 -0.54 -1.23 0.00 0.00 177.57 176.86 1rqm s LYS 85 N -5.18 0.57 -0.01 5.19 1.02 -1.05 -5.03 119.74 115.25 1rqm s LYS 85 Ca -0.11 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 54.99 1rqm s LYS 85 Cb 0.15 0.21 0.01 0.00 -0.52 0.00 0.00 37.83 37.68 1rqm s LYS 85 CO 0.83 -0.13 0.01 -1.14 -0.92 0.00 0.00 175.35 174.01 1rqm s GLN 86 N -2.92 -0.02 0.07 1.68 -0.44 -1.26 -0.50 119.66 116.27 1rqm s GLN 86 Ca -0.02 0.09 0.09 0.00 -2.50 0.00 0.00 55.36 53.01 1rqm s GLN 86 Cb 0.01 -0.11 -0.03 0.00 -1.64 0.00 0.00 33.01 31.23 1rqm s GLN 86 CO -0.06 -0.08 -0.24 -0.51 0.50 0.00 0.00 175.29 174.90 1rqm s LEU 87 N 0.49 2.22 -0.09 3.68 2.01 0.79 -5.00 118.68 122.78 1rqm s LEU 87 Ca -0.04 -0.63 -0.03 0.00 0.01 0.00 0.00 54.13 53.44 1rqm s LEU 87 Cb -0.06 -1.13 0.05 0.00 0.01 0.00 0.00 46.19 45.06 1rqm s LEU 87 CO -0.01 0.18 0.16 0.27 1.01 0.00 0.00 176.35 177.96 1rqm s ILE 88 N -0.92 -0.25 0.00 -0.59 -4.36 -1.26 -0.61 121.20 113.20 1rqm s ILE 88 Ca 0.10 0.32 0.00 0.00 -0.26 0.00 0.00 60.65 60.81 1rqm s ILE 88 Cb -0.10 -0.32 0.00 0.00 1.25 0.00 0.00 42.46 43.30 1rqm s ILE 88 CO 0.03 0.12 0.00 0.61 0.24 0.00 0.00 174.94 175.94 1rqm n GLY 89 N 5.32 -0.01 3.56 6.27 0.00 0.55 -4.83 105.19 116.05 1rqm n GLY 89 Ca -0.05 -1.80 -0.27 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.94 1.54 0.10 1.61 5.04 -1.26 -4.71 117.35 117.71 1rqm s TYR 90 Ca 0.00 1.09 -0.30 0.00 -2.44 0.00 0.00 57.07 55.42 1rqm s TYR 90 Cb 0.00 -3.86 -0.06 0.00 0.35 0.00 0.00 41.96 38.39 1rqm s TYR 90 CO 0.00 -1.90 1.17 -0.65 -1.34 0.00 0.00 175.55 172.82 1rqm s GLN 91 N 7.61 4.48 0.99 4.97 -1.52 -1.26 -5.06 119.66 129.87 1rqm s GLN 91 Ca 0.78 1.75 -0.12 0.00 -1.95 0.00 0.00 55.36 55.82 1rqm s GLN 91 Cb -0.10 -3.33 0.19 0.00 -0.22 0.00 0.00 33.01 29.54 1rqm s GLN 91 CO 0.09 -0.16 1.08 -1.25 -0.25 0.00 0.00 175.29 174.80 1rqm s PRO 92 N 0.62 0.47 0.18 2.91 0.04 -1.26 -4.71 135.00 133.24 1rqm s PRO 92 Ca 0.56 0.84 -0.14 0.00 0.04 0.00 0.00 61.00 62.30 1rqm s PRO 92 Cb -0.29 -1.72 0.15 0.00 0.04 0.00 0.00 34.50 32.68 1rqm s PRO 92 CO 0.31 -2.79 1.73 -0.22 0.04 0.00 0.00 177.00 176.07 1rqm h LYS 93 N -1.95 0.24 0.00 4.56 1.63 -1.97 -0.44 116.57 118.65 1rqm h LYS 93 Ca -0.53 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.25 1rqm h LYS 93 Cb 1.30 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1rqm h LYS 93 CO 0.53 0.16 0.00 0.93 -3.45 0.00 0.00 179.45 177.62 1rqm h GLU 94 N 0.25 0.00 0.00 1.90 3.07 -1.97 0.26 114.58 118.09 1rqm h GLU 94 Ca 0.22 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.91 1rqm h GLU 94 Cb 0.27 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 1rqm h GLU 94 CO -0.28 0.00 -1.53 0.94 -1.40 0.00 0.00 179.01 176.74 1rqm n GLN 95 N -2.31 0.52 0.17 2.33 -0.06 -0.52 -4.06 117.38 113.44 1rqm n GLN 95 Ca -0.01 0.21 -0.15 0.00 -2.00 0.00 0.00 57.00 55.04 1rqm n GLN 95 Cb 0.04 -1.39 -0.08 0.00 -4.06 0.00 0.00 30.24 24.75 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 -0.93 -1.26 -1.77 1.69 6.46 -0.72 0.27 115.31 119.05 1rqm h LEU 96 Ca -0.26 0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 57.59 1rqm h LEU 96 Cb 1.19 0.45 -0.00 0.00 -0.73 0.00 0.00 40.66 41.57 1rqm h LEU 96 CO -0.16 -0.53 -0.16 -0.08 -0.62 0.00 0.00 178.44 176.89 1rqm h GLU 97 N -0.75 0.00 -0.02 1.25 4.22 -0.73 0.14 114.58 118.70 1rqm h GLU 97 Ca -0.00 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.30 1rqm h GLU 97 Cb 0.72 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1rqm h GLU 97 CO -0.19 0.16 -0.51 0.00 -2.18 0.00 0.00 179.01 176.30 1rqm h ALA 98 N 1.84 0.09 -0.04 2.92 0.00 -1.42 0.94 119.26 123.60 1rqm h ALA 98 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1rqm h ALA 98 Cb 0.36 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1rqm h ALA 98 CO 0.02 0.29 0.02 1.96 0.00 0.00 0.00 179.25 181.54 1rqm h GLN 99 N -0.15 0.04 -0.01 0.00 7.50 -0.26 -3.16 115.11 119.08 1rqm h GLN 99 Ca -0.06 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.09 1rqm h GLN 99 Cb 1.21 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.73 1rqm h GLN 99 CO 0.10 0.02 -0.06 1.28 -1.50 0.00 0.00 178.83 178.67 1rqm n LEU 100 N -5.08 0.60 -0.30 1.46 4.32 0.47 -3.51 117.00 114.96 1rqm n LEU 100 Ca -0.06 -0.12 0.26 0.00 -0.02 0.00 0.00 56.01 56.07 1rqm n LEU 100 Cb 0.03 -0.10 0.58 0.00 -1.62 0.00 0.00 43.42 42.31 1rqm n LEU 100 CO 0.33 0.11 1.24 0.00 -1.22 0.00 0.00 177.39 177.85 1rqm h ALA 101 N 3.88 2.46 0.00 -1.18 0.00 -0.76 0.16 119.26 123.82 1rqm h ALA 101 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rqm h ALA 101 Cb 0.31 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1rqm h ALA 101 CO 0.00 -0.84 0.00 -3.47 0.00 0.00 0.00 179.25 174.94 1rqm n ASP 102 N -4.50 2.05 0.00 0.00 2.03 -1.23 -0.34 116.55 114.57 1rqm n ASP 102 Ca 0.24 -1.46 0.00 0.00 0.52 0.00 0.00 54.79 54.09 1rqm n ASP 102 Cb 0.95 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 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 0.59 0.00 0.76 5.18 3.14 0.40 -4.90 118.33 123.49 1rqm n VAL 103 Ca 0.00 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.50 1rqm n VAL 103 Cb 0.35 0.00 0.49 0.00 -1.06 0.00 0.00 33.84 33.62 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 -0.22 0.14 0.00 6.55 7.99 -0.32 -5.04 117.00 126.09 1rqm n LEU 104 Ca 0.00 0.52 0.08 0.00 -0.01 0.00 0.00 56.01 56.60 1rqm n LEU 104 Cb 0.00 -0.49 0.45 0.00 -0.11 0.00 0.00 43.42 43.28 1rqm n LEU 104 CO 0.00 -0.14 0.66 1.67 -1.51 0.00 0.00 177.39 178.07