#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdz n VAL 2 N 0.00 0.00 -1.05 3.15 0.24 -1.26 -5.04 118.33 114.36 2kdz n VAL 2 Ca 0.00 -0.07 0.14 0.00 -2.04 0.00 0.00 64.34 62.37 2kdz n VAL 2 Cb 0.00 -0.06 -0.05 0.00 -1.47 0.00 0.00 33.84 32.27 2kdz n VAL 2 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2kdz n LYS 3 N -0.91 -2.25 -1.24 7.34 5.02 -1.26 -5.04 118.16 119.83 2kdz n LYS 3 Ca 0.15 1.63 0.17 0.00 -2.02 0.00 0.00 58.31 58.24 2kdz n LYS 3 Cb 0.28 -2.69 -0.04 0.00 -0.02 0.00 0.00 35.03 32.55 2kdz n LYS 3 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2kdz n PHE 4 N -3.71 -3.11 0.00 2.13 7.35 -1.26 -5.09 117.46 113.77 2kdz n PHE 4 Ca -0.02 1.56 0.00 0.00 -0.76 0.00 0.00 57.45 58.23 2kdz n PHE 4 Cb 0.49 -2.83 0.00 0.00 0.35 0.00 0.00 39.48 37.49 2kdz n PHE 4 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 2kdz n THR 5 N -3.82 0.00 -0.19 -2.13 5.66 -1.26 -4.97 114.28 107.57 2kdz n THR 5 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 2kdz n THR 5 Cb 0.57 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.37 2kdz n THR 5 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2kdz h GLU 6 N 0.00 0.75 -0.94 1.09 5.08 -2.00 -2.68 114.58 115.89 2kdz h GLU 6 Ca 0.00 -0.08 0.10 0.00 -1.00 0.00 0.00 59.36 58.38 2kdz h GLU 6 Cb 0.00 -0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.02 2kdz h GLU 6 CO 0.00 0.57 0.57 0.93 -1.00 0.00 0.00 179.01 180.08 2kdz h GLU 7 N 0.73 0.92 -0.04 2.33 5.08 -2.00 -1.29 114.58 120.31 2kdz h GLU 7 Ca 0.19 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 2kdz h GLU 7 Cb 0.02 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 2kdz h GLU 7 CO -0.03 0.61 -0.50 0.93 -1.00 0.00 0.00 179.01 179.01 2kdz h GLU 8 N 0.95 0.10 -0.20 2.33 4.39 -1.87 -2.91 114.58 117.36 2kdz h GLU 8 Ca 0.45 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.95 2kdz h GLU 8 Cb 0.39 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2kdz h GLU 8 CO -0.25 0.58 -0.48 0.22 -1.16 0.00 0.00 179.01 177.93 2kdz h ASP 9 N 0.08 0.58 -0.72 1.42 3.58 -0.94 -1.53 116.42 118.88 2kdz h ASP 9 Ca 0.00 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.15 2kdz h ASP 9 Cb 0.92 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.77 2kdz h ASP 9 CO 0.07 0.96 0.36 -0.07 -2.88 0.00 0.00 179.24 177.68 2kdz h LEU 10 N 0.43 0.94 -1.10 2.28 3.38 -1.19 -1.74 115.31 118.31 2kdz h LEU 10 Ca 0.02 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2kdz h LEU 10 Cb 0.99 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2kdz h LEU 10 CO 0.09 0.80 -0.27 0.11 0.09 0.00 0.00 178.44 179.26 2kdz h LYS 11 N 1.01 0.30 -0.18 1.13 1.57 -1.32 -3.04 116.57 116.04 2kdz h LYS 11 Ca 0.25 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2kdz h LYS 11 Cb 0.10 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 2kdz h LYS 11 CO -0.03 0.56 -0.02 1.25 -0.57 0.00 0.00 179.45 180.63 2kdz h LEU 12 N 0.27 -0.12 -0.81 2.94 5.85 -0.37 0.28 115.31 123.35 2kdz h LEU 12 Ca 0.04 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.89 2kdz h LEU 12 Cb 0.63 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 2kdz h LEU 12 CO 0.05 -0.03 0.47 -0.61 -0.34 0.00 0.00 178.44 177.97 2kdz h GLN 13 N 0.03 0.80 -0.22 1.25 5.75 -1.37 0.35 115.11 121.70 2kdz h GLN 13 Ca 0.09 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.48 2kdz h GLN 13 Cb 0.12 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 2kdz h GLN 13 CO -0.16 0.53 -0.10 1.96 -2.65 0.00 0.00 178.83 178.40 2kdz h GLN 14 N 0.82 0.47 -0.53 1.69 1.08 -1.36 -2.44 115.11 114.84 2kdz h GLN 14 Ca 0.38 -0.20 -0.06 0.00 -1.45 0.00 0.00 58.65 57.31 2kdz h GLN 14 Cb 0.28 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 2kdz h GLN 14 CO -0.22 0.74 0.08 -0.07 -0.95 0.00 0.00 178.83 178.41 2kdz h LEU 15 N 0.18 0.84 -1.51 1.46 4.07 0.12 -2.17 115.31 118.30 2kdz h LEU 15 Ca 0.05 -0.26 -0.03 0.00 0.08 0.00 0.00 57.88 57.72 2kdz h LEU 15 Cb 0.59 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 2kdz h LEU 15 CO 0.03 0.89 -0.02 0.58 -1.08 0.00 0.00 178.44 178.84 2kdz h VAL 16 N 0.76 1.14 -0.25 1.22 2.07 -0.32 0.43 116.25 121.29 2kdz h VAL 16 Ca 0.16 -0.55 -0.14 0.00 0.82 0.00 0.00 66.70 66.99 2kdz h VAL 16 Cb 0.41 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2kdz h VAL 16 CO 0.01 0.18 -0.41 -0.03 0.02 0.00 0.00 177.57 177.34 2kdz h MET 17 N 0.28 0.61 0.03 1.57 1.85 -1.04 0.26 114.93 118.49 2kdz h MET 17 Ca 0.07 -0.32 -0.12 0.00 -0.61 0.00 0.00 59.70 58.72 2kdz h MET 17 Cb 0.23 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.26 2kdz h MET 17 CO 0.01 0.91 -0.60 0.00 -0.40 0.00 0.00 176.91 176.82 2kdz h ARG 18 N 0.50 0.06 0.10 0.39 3.08 -0.71 -3.39 114.38 114.41 2kdz h ARG 18 Ca 0.04 -0.11 -0.30 0.00 0.07 0.00 0.00 59.98 59.68 2kdz h ARG 18 Cb 0.93 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 2kdz h ARG 18 CO 0.08 1.05 -1.53 1.88 -1.07 0.00 0.00 179.97 180.39 2kdz h TYR 19 N -0.85 0.40 0.00 3.04 0.05 -0.29 -3.51 116.97 115.81 2kdz h TYR 19 Ca -0.15 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.34 2kdz h TYR 19 Cb 1.25 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.97 2kdz h TYR 19 CO 0.20 1.34 0.00 0.41 -1.05 0.00 0.00 178.16 179.07 2kdz n GLY 20 N 1.65 -0.36 1.01 3.88 0.00 0.08 -4.36 105.19 107.09 2kdz n GLY 20 Ca -0.16 -2.20 0.02 0.00 0.00 0.00 0.00 46.02 43.69 2kdz n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kdz n ALA 21 N -0.64 3.61 0.00 4.61 0.00 -1.26 -4.56 120.51 122.26 2kdz n ALA 21 Ca 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 53.44 50.73 2kdz n ALA 21 Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2kdz n ALA 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kdz n LYS 22 N -0.85 0.39 -1.32 0.00 4.81 -1.26 -4.88 118.16 115.04 2kdz n LYS 22 Ca 0.27 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.47 2kdz n LYS 22 Cb 0.97 -0.59 -0.09 0.00 0.02 0.00 0.00 35.03 35.34 2kdz n LYS 22 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2kdz n ASP 23 N -1.18 6.57 0.25 3.14 -0.08 -1.26 -4.49 116.55 119.50 2kdz n ASP 23 Ca 0.00 -2.79 0.12 0.00 -1.51 0.00 0.00 54.79 50.62 2kdz n ASP 23 Cb 0.09 -1.38 0.58 0.00 2.34 0.00 0.00 41.12 42.75 2kdz n ASP 23 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 2kdz h TRP 24 N 3.56 0.00 -0.33 -0.67 4.06 -1.90 -2.85 115.95 117.82 2kdz h TRP 24 Ca 0.43 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.31 2kdz h TRP 24 Cb 0.92 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.06 2kdz h TRP 24 CO 1.69 0.15 -0.13 -0.84 -3.56 0.00 0.00 178.44 175.76 2kdz h ILE 25 N 0.00 1.24 0.00 1.49 3.07 -1.90 -0.77 117.51 120.63 2kdz h ILE 25 Ca -0.00 -1.07 -0.03 0.00 1.55 0.00 0.00 64.86 65.31 2kdz h ILE 25 Cb 0.59 1.13 -0.00 0.00 -0.27 0.00 0.00 36.82 38.26 2kdz h ILE 25 CO 0.02 0.35 -0.14 0.03 -1.05 0.00 0.00 178.15 177.37 2kdz h ARG 26 N 0.52 0.00 0.00 0.16 -0.00 -1.88 -1.34 114.38 111.84 2kdz h ARG 26 Ca 0.09 0.00 -0.19 0.00 -0.50 0.00 0.00 59.98 59.38 2kdz h ARG 26 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.47 2kdz h ARG 26 CO 0.03 0.14 -0.99 0.82 0.00 0.00 0.00 179.97 179.97 2kdz h ILE 27 N 0.00 1.28 0.00 2.04 2.04 -1.31 -3.19 117.51 118.37 2kdz h ILE 27 Ca -0.00 -2.90 0.00 0.00 1.00 0.00 0.00 64.86 62.96 2kdz h ILE 27 Cb 0.46 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 2kdz h ILE 27 CO 0.02 0.73 0.00 -1.20 0.00 0.00 0.00 178.15 177.70 2kdz n SER 28 N -3.24 0.00 0.17 1.72 7.64 -0.41 -1.56 113.62 117.93 2kdz n SER 28 Ca -0.02 0.21 0.04 0.00 1.01 0.00 0.00 58.87 60.10 2kdz n SER 28 Cb 0.89 -0.34 0.26 0.00 -1.01 0.00 0.00 64.21 64.01 2kdz n SER 28 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2kdz h GLN 29 N 0.00 0.00 0.00 1.43 4.20 -1.53 -3.06 115.11 116.15 2kdz h GLN 29 Ca 0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 2kdz h GLN 29 Cb 0.15 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.86 2kdz h GLN 29 CO 0.00 0.46 -2.42 1.28 -0.67 0.00 0.00 178.83 177.48 2kdz n LEU 30 N -3.55 1.82 -4.30 1.46 4.77 -0.72 -4.66 117.00 111.81 2kdz n LEU 30 Ca -0.00 -0.08 -0.44 0.00 -0.03 0.00 0.00 56.01 55.45 2kdz n LEU 30 Cb 0.57 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 2kdz n LEU 30 CO 0.38 0.76 0.59 -0.04 -1.33 0.00 0.00 177.39 177.76 2kdz s MET 31 N -2.50 3.85 0.05 3.23 -1.94 -0.60 -4.81 119.30 116.58 2kdz s MET 31 Ca -0.25 -2.96 0.23 0.00 -1.71 0.00 0.00 55.69 51.00 2kdz s MET 31 Cb 0.08 -4.42 -0.01 0.00 2.01 0.00 0.00 34.83 32.49 2kdz s MET 31 CO 0.68 -1.26 0.97 1.51 -0.01 0.00 0.00 175.02 176.91 2kdz n ILE 32 N 3.10 0.17 -0.64 2.53 3.06 -1.16 -3.97 119.36 122.45 2kdz n ILE 32 Ca 0.20 -0.27 -0.06 0.00 -2.50 0.00 0.00 62.75 60.12 2kdz n ILE 32 Cb 0.41 0.20 0.24 0.00 0.54 0.00 0.00 39.64 41.04 2kdz n ILE 32 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2kdz n THR 33 N -2.01 2.47 -3.84 9.51 -1.04 -1.26 -4.89 114.28 113.23 2kdz n THR 33 Ca 0.01 -1.31 -0.12 0.00 -2.04 0.00 0.00 64.05 60.59 2kdz n THR 33 Cb 0.45 -0.44 -0.12 0.00 -1.82 0.00 0.00 70.33 68.40 2kdz n THR 33 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2kdz s ARG 34 N -2.52 0.25 0.23 -2.82 3.52 -1.25 -5.04 118.95 111.31 2kdz s ARG 34 Ca 0.45 0.02 -0.31 0.00 -0.13 0.00 0.00 55.73 55.76 2kdz s ARG 34 Cb 0.36 0.11 -0.11 0.00 -1.56 0.00 0.00 34.95 33.75 2kdz s ARG 34 CO 0.11 -0.04 1.57 -0.80 -0.81 0.00 0.00 175.30 175.33 2kdz s ASN 35 N -0.33 6.50 0.37 -2.12 0.01 -1.26 -4.88 114.94 113.23 2kdz s ASN 35 Ca -0.04 2.77 0.12 0.00 -0.71 0.00 0.00 52.86 55.00 2kdz s ASN 35 Cb -0.03 -2.61 0.93 0.00 0.41 0.00 0.00 41.25 39.94 2kdz s ASN 35 CO 0.00 -0.85 1.84 1.55 -1.51 0.00 0.00 177.10 178.14 2kdz h PRO 36 N 5.83 0.56 0.00 -0.60 0.13 -1.91 0.33 132.00 136.34 2kdz h PRO 36 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kdz h PRO 36 Cb 1.21 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2kdz h PRO 36 CO 0.86 0.37 0.00 0.00 -0.23 0.00 0.00 178.00 179.00 2kdz h ARG 37 N 0.57 0.00 -0.31 0.86 3.08 -1.95 -3.11 114.38 113.53 2kdz h ARG 37 Ca 0.49 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.39 2kdz h ARG 37 Cb 0.98 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 2kdz h ARG 37 CO -0.23 0.00 -0.41 1.96 -1.07 0.00 0.00 179.97 180.21 2kdz h GLN 38 N 0.00 0.77 -0.50 0.04 1.08 -0.69 0.19 115.11 116.00 2kdz h GLN 38 Ca 0.00 -0.41 -0.06 0.00 -1.45 0.00 0.00 58.65 56.73 2kdz h GLN 38 Cb 0.71 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.14 2kdz h GLN 38 CO 0.00 1.04 0.08 0.00 -0.95 0.00 0.00 178.83 179.00 2kdz h ARG 40 N 0.75 0.76 0.00 0.00 2.43 -1.46 -1.94 114.38 114.93 2kdz h ARG 40 Ca 0.16 -0.31 -0.04 0.00 -0.81 0.00 0.00 59.98 58.98 2kdz h ARG 40 Cb 0.33 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2kdz h ARG 40 CO 0.00 0.92 -0.20 1.49 -1.51 0.00 0.00 179.97 180.67 2kdz h GLU 41 N 0.57 0.00 0.34 0.20 4.81 -0.00 0.92 114.58 121.42 2kdz h GLU 41 Ca 0.09 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2kdz h GLU 41 Cb 0.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2kdz h GLU 41 CO 0.04 0.20 -0.16 0.00 -0.73 0.00 0.00 179.01 178.36 2kdz h ARG 42 N 0.00 -0.44 -0.15 1.92 2.47 -0.65 -2.33 114.38 115.19 2kdz h ARG 42 Ca -0.00 0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.76 2kdz h ARG 42 Cb 0.35 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.76 2kdz h ARG 42 CO 0.03 -0.16 0.05 2.35 0.56 0.00 0.00 179.97 182.79 2kdz h TRP 43 N -1.02 0.08 0.00 3.04 2.91 -1.23 -2.24 115.95 117.49 2kdz h TRP 43 Ca -0.05 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 59.98 2kdz h TRP 43 Cb 0.48 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 29.12 2kdz h TRP 43 CO 0.03 0.04 -0.01 -0.97 -1.03 0.00 0.00 178.44 176.50 2kdz h ASN 44 N 0.12 0.00 -0.09 2.65 -1.24 -0.91 0.75 115.58 116.85 2kdz h ASN 44 Ca 0.07 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.05 2kdz h ASN 44 Cb 0.04 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 2kdz h ASN 44 CO -0.07 0.01 -0.13 0.59 -1.29 0.00 0.00 177.43 176.54 2kdz n ASN 45 N -3.19 2.48 0.00 1.15 3.02 -0.88 -4.19 115.26 113.65 2kdz n ASN 45 Ca -0.02 -3.37 0.00 0.00 -0.03 0.00 0.00 54.58 51.16 2kdz n ASN 45 Cb 0.13 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 2kdz n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kdz n TYR 46 N -1.16 -1.11 -0.05 3.10 9.36 -0.95 -4.92 117.16 121.44 2kdz n TYR 46 Ca 0.20 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.40 2kdz n TYR 46 Cb 0.75 0.27 -0.15 0.00 -0.63 0.00 0.00 39.34 39.58 2kdz n TYR 46 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 2kdz n ILE 47 N -2.04 0.94 0.03 2.97 5.41 -0.59 -4.58 119.36 121.50 2kdz n ILE 47 Ca 0.00 -0.72 -0.06 0.00 1.00 0.00 0.00 62.75 62.97 2kdz n ILE 47 Cb 0.00 -0.38 -0.04 0.00 -0.71 0.00 0.00 39.64 38.50 2kdz n ILE 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 2kdz h ASN 48 N 0.00 -0.15 -4.30 4.38 -1.24 -1.13 -3.48 115.58 109.66 2kdz h ASN 48 Ca -0.31 -0.21 -0.16 0.00 0.71 0.00 0.00 56.30 56.33 2kdz h ASN 48 Cb 1.75 0.04 0.02 0.00 0.73 0.00 0.00 38.32 40.86 2kdz h ASN 48 CO 0.02 0.41 0.02 -0.81 -1.29 0.00 0.00 177.43 175.78 2kdz n PRO 49 N -4.88 0.51 -2.89 6.67 -0.04 -1.26 -5.05 135.00 128.06 2kdz n PRO 49 Ca -0.05 -0.99 -0.26 0.00 -0.04 0.00 0.00 63.50 62.16 2kdz n PRO 49 Cb 0.17 -0.19 -0.03 0.00 -0.04 0.00 0.00 33.50 33.41 2kdz n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kdz n ALA 50 N -2.91 4.60 -1.47 0.55 0.00 -1.25 -4.74 120.51 115.29 2kdz n ALA 50 Ca -0.05 -4.58 -0.34 0.00 0.00 0.00 0.00 53.44 48.47 2kdz n ALA 50 Cb 0.21 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 18.87 2kdz n ALA 50 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2kdz n LEU 51 N -0.25 2.88 0.00 0.00 -0.00 -1.25 -4.67 117.00 113.70 2kdz n LEU 51 Ca 0.32 -2.75 0.00 0.00 -0.00 0.00 0.00 56.01 53.57 2kdz n LEU 51 Cb 0.44 -1.36 0.00 0.00 -0.00 0.00 0.00 43.42 42.51 2kdz n LEU 51 CO 0.33 -1.62 0.00 0.54 -0.00 0.00 0.00 177.39 176.64 2kdz n ARG 52 N 7.80 0.00 -4.28 1.47 1.74 -1.26 -4.99 116.66 117.13 2kdz n ARG 52 Ca 0.46 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 57.23 2kdz n ARG 52 Cb 0.44 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.80 2kdz n ARG 52 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2kdz n THR 53 N 0.00 -1.23 -1.16 0.55 -1.04 -1.26 -4.59 114.28 105.55 2kdz n THR 53 Ca 0.00 -0.42 0.15 0.00 -2.04 0.00 0.00 64.05 61.74 2kdz n THR 53 Cb 0.00 -1.24 -0.05 0.00 -1.82 0.00 0.00 70.33 67.21 2kdz n THR 53 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2kdz n ASP 54 N -2.85 -6.94 -3.39 8.00 8.00 -1.26 -4.94 116.55 113.18 2kdz n ASP 54 Ca -0.26 0.76 0.00 0.00 0.71 0.00 0.00 54.79 56.00 2kdz n ASP 54 Cb 0.66 -3.70 0.00 0.00 -0.02 0.00 0.00 41.12 38.06 2kdz n ASP 54 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2kdz n PRO 55 N -3.89 1.13 -2.17 -0.24 -0.04 -1.26 -5.04 135.00 123.49 2kdz n PRO 55 Ca -0.02 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.16 2kdz n PRO 55 Cb 0.54 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.05 2kdz n PRO 55 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kdz s TRP 56 N 0.00 3.18 0.45 0.54 0.51 -1.26 -5.09 118.94 117.27 2kdz s TRP 56 Ca 0.00 0.73 0.00 0.00 -2.12 0.00 0.00 56.10 54.71 2kdz s TRP 56 Cb 0.00 -3.00 -0.00 0.00 -0.81 0.00 0.00 33.47 29.66 2kdz s TRP 56 CO 0.00 -1.13 0.67 -1.12 -0.51 0.00 0.00 176.95 174.86 2kdz s SER 57 N -4.39 5.83 0.51 2.95 0.01 -1.26 -4.93 113.70 112.42 2kdz s SER 57 Ca 0.57 0.29 0.29 0.00 1.31 0.00 0.00 55.95 58.41 2kdz s SER 57 Cb -0.11 -1.53 1.60 0.00 0.21 0.00 0.00 66.02 66.19 2kdz s SER 57 CO 0.47 -0.71 1.88 -0.65 0.41 0.00 0.00 173.24 174.65 2kdz h PRO 58 N 0.39 0.00 -0.28 12.44 0.11 -1.98 -0.92 132.00 141.76 2kdz h PRO 58 Ca -0.46 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 2kdz h PRO 58 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2kdz h PRO 58 CO 0.57 0.00 -0.39 0.93 -0.21 0.00 0.00 178.00 178.90 2kdz h GLU 59 N 0.00 0.76 -0.08 1.05 5.08 -1.99 -1.75 114.58 117.65 2kdz h GLU 59 Ca 0.00 -0.45 -0.24 0.00 -1.00 0.00 0.00 59.36 57.68 2kdz h GLU 59 Cb 0.25 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.55 2kdz h GLU 59 CO 0.00 1.07 -0.88 0.93 -1.00 0.00 0.00 179.01 179.13 2kdz h GLU 60 N 0.51 0.70 -0.85 2.33 3.07 -1.58 -2.10 114.58 116.67 2kdz h GLU 60 Ca 0.03 -0.65 0.10 0.00 -0.50 0.00 0.00 59.36 58.34 2kdz h GLU 60 Cb 0.99 0.16 -0.08 0.00 -0.84 0.00 0.00 28.75 28.98 2kdz h GLU 60 CO 0.09 1.25 0.49 0.22 -1.40 0.00 0.00 179.01 179.66 2kdz h ASP 61 N 0.45 0.71 0.09 1.42 1.82 -1.30 0.71 116.42 120.32 2kdz h ASP 61 Ca -0.08 0.05 -0.24 0.00 -0.39 0.00 0.00 57.03 56.37 2kdz h ASP 61 Cb 1.52 -0.09 0.02 0.00 0.68 0.00 0.00 39.33 41.46 2kdz h ASP 61 CO 0.17 0.40 -0.99 0.24 -1.61 0.00 0.00 179.24 177.45 2kdz h MET 62 N 0.82 0.51 -0.15 0.28 2.86 -1.32 -2.99 114.93 114.93 2kdz h MET 62 Ca 0.41 -0.67 -0.10 0.00 -2.06 0.00 0.00 59.70 57.28 2kdz h MET 62 Cb 0.39 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2kdz h MET 62 CO -0.25 1.29 -0.31 1.25 1.06 0.00 0.00 176.91 179.94 2kdz h LEU 63 N 0.05 0.54 -1.02 1.22 5.85 -1.00 -3.20 115.31 117.75 2kdz h LEU 63 Ca -0.15 -0.56 0.03 0.00 0.84 0.00 0.00 57.88 58.04 2kdz h LEU 63 Cb 1.71 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.53 2kdz h LEU 63 CO 0.19 1.00 0.66 0.25 -0.34 0.00 0.00 178.44 180.20 2kdz h LEU 64 N 0.11 1.11 -1.43 2.25 6.46 0.30 -1.57 115.31 122.53 2kdz h LEU 64 Ca 0.00 -0.01 0.16 0.00 -0.12 0.00 0.00 57.88 57.91 2kdz h LEU 64 Cb 0.91 -0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 40.52 2kdz h LEU 64 CO 0.07 0.77 0.56 -0.78 -0.62 0.00 0.00 178.44 178.43 2kdz h ASP 65 N 1.29 0.51 0.01 1.25 3.58 -1.51 0.47 116.42 122.01 2kdz h ASP 65 Ca 0.39 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.88 2kdz h ASP 65 Cb -0.03 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2kdz h ASP 65 CO -0.11 0.25 -0.00 -0.61 -2.88 0.00 0.00 179.24 175.88 2kdz h GLN 66 N 0.54 -0.01 0.00 0.28 4.15 -1.37 -2.96 115.11 115.74 2kdz h GLN 66 Ca 0.43 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.83 2kdz h GLN 66 Cb 0.87 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.56 2kdz h GLN 66 CO -0.17 0.82 -0.09 0.87 -1.93 0.00 0.00 178.83 178.33 2kdz h LYS 67 N -0.90 0.00 0.00 1.69 1.79 -0.79 -0.00 116.57 118.35 2kdz h LYS 67 Ca -0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 2kdz h LYS 67 Cb 0.83 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 2kdz h LYS 67 CO 0.00 0.09 -0.37 -0.92 -1.08 0.00 0.00 179.45 177.16 2kdz h TYR 68 N 0.00 0.00 -0.01 -1.35 3.20 -0.16 -0.27 116.97 118.39 2kdz h TYR 68 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kdz h TYR 68 Cb 0.19 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2kdz h TYR 68 CO 0.00 0.37 -0.23 0.00 -1.64 0.00 0.00 178.16 176.67 2kdz n ALA 69 N -2.23 3.00 -0.09 1.82 0.00 -0.06 -1.61 120.51 121.35 2kdz n ALA 69 Ca 0.01 -0.35 -0.16 0.00 0.00 0.00 0.00 53.44 52.94 2kdz n ALA 69 Cb 0.60 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 2kdz n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kdz n GLU 70 N -0.83 0.43 0.00 0.00 -0.58 -0.92 -4.73 120.64 114.01 2kdz n GLU 70 Ca 0.12 0.18 -0.07 0.00 -0.42 0.00 0.00 57.16 56.97 2kdz n GLU 70 Cb 0.33 -1.23 -0.13 0.00 -0.57 0.00 0.00 31.44 29.84 2kdz n GLU 70 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 2kdz h TYR 71 N -0.75 0.00 0.00 -0.32 0.05 -1.22 -3.51 116.97 111.22 2kdz h TYR 71 Ca -0.33 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.45 2kdz h TYR 71 Cb 1.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 2kdz h TYR 71 CO -0.17 0.94 0.00 0.41 -1.05 0.00 0.00 178.16 178.29 2kdz n GLY 72 N 1.49 -1.22 1.16 3.88 0.00 -0.63 -4.47 105.19 105.40 2kdz n GLY 72 Ca -0.13 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.86 2kdz n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kdz n PRO 73 N 0.00 0.90 -1.53 1.61 -0.04 -1.26 -4.58 135.00 130.10 2kdz n PRO 73 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 2kdz n PRO 73 Cb 0.00 -1.05 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 2kdz n PRO 73 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2kdz n LYS 74 N 0.84 3.85 -0.15 0.54 5.02 -1.26 -4.69 118.16 122.30 2kdz n LYS 74 Ca 0.00 -2.57 0.25 0.00 -2.02 0.00 0.00 58.31 53.97 2kdz n LYS 74 Cb 0.45 -2.80 0.67 0.00 -0.02 0.00 0.00 35.03 33.33 2kdz n LYS 74 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 2kdz h TRP 75 N 5.01 0.12 -0.45 2.13 -0.00 -1.94 0.25 115.95 121.06 2kdz h TRP 75 Ca 0.80 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 59.62 2kdz h TRP 75 Cb 0.32 -0.04 -0.02 0.00 -0.00 0.00 0.00 29.16 29.43 2kdz h TRP 75 CO 1.77 0.03 -0.01 -0.97 -0.00 0.00 0.00 178.44 179.26 2kdz h ASN 76 N 0.09 0.72 0.64 -3.49 -0.73 -1.92 0.18 115.58 111.06 2kdz h ASN 76 Ca 0.40 -0.17 -0.25 0.00 1.87 0.00 0.00 56.30 58.15 2kdz h ASN 76 Cb 1.44 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 39.84 2kdz h ASN 76 CO -0.04 0.79 -1.11 0.50 -0.37 0.00 0.00 177.43 177.20 2kdz h LYS 77 N 0.70 0.24 -0.25 6.67 1.63 -1.00 -3.30 116.57 121.25 2kdz h LYS 77 Ca 0.14 -0.36 -0.17 0.00 -0.85 0.00 0.00 60.65 59.40 2kdz h LYS 77 Cb 0.44 0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.20 2kdz h LYS 77 CO 0.02 1.13 -0.54 0.82 -3.45 0.00 0.00 179.45 177.44 2kdz h ILE 78 N 0.09 1.29 0.00 2.00 1.08 -0.63 -3.03 117.51 118.31 2kdz h ILE 78 Ca -0.10 -1.74 0.00 0.00 -0.39 0.00 0.00 64.86 62.63 2kdz h ILE 78 Cb 1.82 1.66 0.00 0.00 -3.07 0.00 0.00 36.82 37.23 2kdz h ILE 78 CO 0.18 0.56 0.00 -1.54 -0.69 0.00 0.00 178.15 176.66 2kdz n SER 79 N -3.99 0.60 0.20 1.72 3.41 0.61 -0.65 113.62 115.52 2kdz n SER 79 Ca -0.04 0.76 0.14 0.00 -0.26 0.00 0.00 58.87 59.47 2kdz n SER 79 Cb 0.61 -0.85 0.46 0.00 -0.26 0.00 0.00 64.21 64.17 2kdz n SER 79 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2kdz h LYS 80 N 0.00 0.00 0.00 4.33 1.79 -1.66 -2.73 116.57 118.31 2kdz h LYS 80 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kdz h LYS 80 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2kdz h LYS 80 CO 0.00 0.00 -1.33 1.19 -1.08 0.00 0.00 179.45 178.23 2kdz n PHE 81 N -2.75 0.00 -3.88 -1.35 3.72 0.18 -4.67 117.46 108.70 2kdz n PHE 81 Ca 0.03 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.14 2kdz n PHE 81 Cb 0.37 -0.17 -0.12 0.00 -0.94 0.00 0.00 39.48 38.62 2kdz n PHE 81 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2kdz s LEU 82 N -3.51 4.47 -1.06 4.37 2.01 -1.03 -5.04 118.68 118.89 2kdz s LEU 82 Ca 0.02 -3.56 -0.24 0.00 0.01 0.00 0.00 54.13 50.36 2kdz s LEU 82 Cb 0.15 -1.56 -0.10 0.00 0.01 0.00 0.00 46.19 44.68 2kdz s LEU 82 CO 0.87 -0.13 2.01 -0.75 1.01 0.00 0.00 176.35 179.35 2kdz s LYS 83 N -1.03 2.22 0.00 1.70 2.20 -1.25 -2.56 119.74 121.03 2kdz s LYS 83 Ca 0.23 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 2kdz s LYS 83 Cb -0.10 -5.11 0.00 0.00 -1.51 0.00 0.00 37.83 31.10 2kdz s LYS 83 CO -0.12 -4.11 0.00 -1.71 -0.36 0.00 0.00 175.35 169.05 2kdz n ASN 84 N 15.49 0.00 -4.80 1.43 2.85 -1.26 -5.06 115.26 123.91 2kdz n ASN 84 Ca 0.43 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.54 2kdz n ASN 84 Cb 0.46 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.42 2kdz n ASN 84 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2kdz s ARG 85 N 0.00 3.88 0.49 1.20 1.81 -1.06 -3.78 118.95 121.50 2kdz s ARG 85 Ca 0.00 0.01 0.07 0.00 -1.72 0.00 0.00 55.73 54.10 2kdz s ARG 85 Cb 0.00 -3.30 0.03 0.00 -0.45 0.00 0.00 34.95 31.23 2kdz s ARG 85 CO 0.00 0.53 0.50 -1.54 -0.68 0.00 0.00 175.30 174.11 2kdz s SER 86 N -0.38 4.98 0.00 0.23 1.04 -1.26 -4.67 113.70 113.63 2kdz s SER 86 Ca 0.16 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2kdz s SER 86 Cb -0.13 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.93 2kdz s SER 86 CO 0.05 -0.97 0.67 -0.90 0.98 0.00 0.00 173.24 173.06 2kdz n ASP 87 N -1.81 0.00 0.14 7.02 5.75 -1.26 0.07 116.55 126.45 2kdz n ASP 87 Ca 0.05 0.67 0.18 0.00 -0.01 0.00 0.00 54.79 55.68 2kdz n ASP 87 Cb 0.62 -0.17 0.78 0.00 -1.03 0.00 0.00 41.12 41.32 2kdz n ASP 87 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 2kdz h ASN 88 N 0.00 0.00 0.09 -1.12 -1.24 -1.95 -0.52 115.58 110.84 2kdz h ASN 88 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kdz h ASN 88 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2kdz h ASN 88 CO 0.00 0.00 -0.04 -1.13 -1.29 0.00 0.00 177.43 174.97 2kdz h ASN 89 N 0.00 -0.10 -0.51 1.15 -0.73 -1.84 -2.21 115.58 111.34 2kdz h ASN 89 Ca 0.15 -0.48 -0.02 0.00 1.87 0.00 0.00 56.30 57.82 2kdz h ASN 89 Cb 0.75 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.35 2kdz h ASN 89 CO -0.00 0.48 0.25 0.40 -0.37 0.00 0.00 177.43 178.20 2kdz h ILE 90 N -0.74 1.19 -0.22 2.57 2.04 0.37 -0.70 117.51 122.02 2kdz h ILE 90 Ca -0.01 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.36 2kdz h ILE 90 Cb 0.57 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2kdz h ILE 90 CO 0.02 0.21 0.03 -0.09 0.00 0.00 0.00 178.15 178.32 2kdz h ARG 91 N 0.68 0.10 -0.12 2.37 9.65 -1.21 0.57 114.38 126.43 2kdz h ARG 91 Ca 0.18 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.05 2kdz h ARG 91 Cb 0.10 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 2kdz h ARG 91 CO -0.02 0.07 0.06 -0.91 2.80 0.00 0.00 179.97 181.96 2kdz h ASN 92 N 0.11 0.16 -0.32 -3.80 4.21 -1.19 -2.48 115.58 112.27 2kdz h ASN 92 Ca 0.10 -0.13 -0.14 0.00 1.21 0.00 0.00 56.30 57.35 2kdz h ASN 92 Cb 0.11 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.25 2kdz h ASN 92 CO -0.15 0.24 -0.30 -0.09 -1.29 0.00 0.00 177.43 175.85 2kdz h ARG 93 N 0.07 0.84 -0.41 0.81 9.65 -0.87 -2.80 114.38 121.66 2kdz h ARG 93 Ca 0.04 -0.39 -0.01 0.00 -1.10 0.00 0.00 59.98 58.52 2kdz h ARG 93 Cb 0.13 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 2kdz h ARG 93 CO -0.00 1.02 0.20 2.35 2.80 0.00 0.00 179.97 186.34 2kdz h TRP 94 N 0.71 0.59 0.00 2.20 2.91 0.20 0.42 115.95 122.97 2kdz h TRP 94 Ca 0.08 -0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.05 2kdz h TRP 94 Cb 0.85 -0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 29.32 2kdz h TRP 94 CO 0.05 0.48 -0.10 1.98 -1.03 0.00 0.00 178.44 179.83 2kdz h MET 95 N 0.52 0.00 0.02 2.65 4.05 -1.43 -0.82 114.93 119.91 2kdz h MET 95 Ca 0.14 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.38 2kdz h MET 95 Cb 0.11 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 2kdz h MET 95 CO -0.02 0.10 -0.96 1.98 0.23 0.00 0.00 176.91 178.23 2kdz h MET 96 N 0.00 0.03 -0.21 0.39 1.85 -1.08 -3.35 114.93 112.56 2kdz h MET 96 Ca -0.00 -0.06 -0.07 0.00 -0.61 0.00 0.00 59.70 58.97 2kdz h MET 96 Cb 0.34 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.38 2kdz h MET 96 CO 0.01 1.03 -0.16 0.97 -0.40 0.00 0.00 176.91 178.36 2kdz h ILE 97 N -0.90 1.22 -0.33 1.77 6.09 -0.08 -2.44 117.51 122.84 2kdz h ILE 97 Ca -0.25 -0.97 -0.00 0.00 -1.37 0.00 0.00 64.86 62.26 2kdz h ILE 97 Cb 1.29 1.23 -0.02 0.00 0.47 0.00 0.00 36.82 39.80 2kdz h ILE 97 CO -0.12 0.31 0.19 0.00 -3.07 0.00 0.00 178.15 175.46 2kdz h ALA 98 N 1.51 1.72 0.00 0.18 0.00 -1.32 0.25 119.26 121.60 2kdz h ALA 98 Ca 0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2kdz h ALA 98 Cb 0.48 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kdz h ALA 98 CO 0.03 0.25 -0.15 -0.09 0.00 0.00 0.00 179.25 179.29 2kdz h ARG 99 N 0.45 0.00 0.14 0.00 2.43 -1.57 0.13 114.38 115.96 2kdz h ARG 99 Ca 0.12 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.93 2kdz h ARG 99 Cb -0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2kdz h ARG 99 CO -0.02 0.15 -1.90 1.25 -1.51 0.00 0.00 179.97 177.94 2kdz h HIS 100 N 0.00 0.52 -0.19 2.20 2.76 -1.09 -3.34 115.15 116.01 2kdz h HIS 100 Ca -0.00 -0.38 -0.11 0.00 -2.20 0.00 0.00 60.37 57.68 2kdz h HIS 100 Cb 0.49 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.42 2kdz h HIS 100 CO 0.00 1.75 -0.36 -0.09 -1.30 0.00 0.00 177.93 177.93 2kdz h ARG 101 N 0.03 0.41 0.00 5.26 9.65 -0.81 -2.30 114.38 126.63 2kdz h ARG 101 Ca -0.40 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.29 2kdz h ARG 101 Cb 2.02 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.59 2kdz h ARG 101 CO 0.10 0.72 0.00 0.00 2.80 0.00 0.00 179.97 183.59 2kdz n ALA 102 N -2.49 2.34 -0.48 2.80 0.00 0.44 -4.97 120.51 118.15 2kdz n ALA 102 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2kdz n ALA 102 Cb 0.47 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2kdz n ALA 102 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kdz n LYS 103 N -0.94 0.00 -3.15 0.00 5.02 -0.87 -4.84 118.16 113.38 2kdz n LYS 103 Ca 0.15 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.50 2kdz n LYS 103 Cb 0.07 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.06 2kdz n LYS 103 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 2kdz s HIS 104 N 0.00 -0.46 0.75 2.13 -3.43 -1.26 -4.83 115.29 108.19 2kdz s HIS 104 Ca 0.00 0.49 -0.11 0.00 -0.80 0.00 0.00 55.06 54.64 2kdz s HIS 104 Cb 0.00 0.16 0.04 0.00 -1.43 0.00 0.00 32.58 31.35 2kdz s HIS 104 CO 0.00 -0.25 1.08 -0.65 -2.00 0.00 0.00 174.74 172.92 2kdz s GLN 105 N 2.95 2.48 0.24 -0.38 -0.21 -1.26 -4.96 119.66 118.52 2kdz s GLN 105 Ca -0.03 1.08 0.00 0.00 0.02 0.00 0.00 55.36 56.43 2kdz s GLN 105 Cb -0.10 -1.93 0.00 0.00 1.00 0.00 0.00 33.01 31.98 2kdz s GLN 105 CO -0.10 -1.46 0.00 1.17 -2.12 0.00 0.00 175.29 172.78 2kdz n LYS 106 N -3.39 0.00 0.00 2.91 4.81 -1.26 -5.33 118.16 115.90 2kdz n LYS 106 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 2kdz n LYS 106 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 2kdz n LYS 106 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00