#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 0.41 -1.11 3.15 0.24 -1.26 -5.05 118.33 114.71 2kdz n VAL 2 Ca 0.00 -0.49 0.15 0.00 -2.04 0.00 0.00 64.34 61.96 2kdz n VAL 2 Cb 0.00 0.38 -0.05 0.00 -1.47 0.00 0.00 33.84 32.70 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 0.62 -2.34 -1.08 7.34 5.02 -1.26 -5.04 118.16 121.42 2kdz n LYS 3 Ca 0.15 1.67 0.14 0.00 -2.02 0.00 0.00 58.31 58.26 2kdz n LYS 3 Cb 0.36 -2.82 -0.05 0.00 -0.02 0.00 0.00 35.03 32.51 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 -3.74 -2.76 0.00 2.13 -0.00 -1.26 -5.09 117.46 106.74 2kdz n PHE 4 Ca -0.02 1.43 0.00 0.00 -0.00 0.00 0.00 57.45 58.86 2kdz n PHE 4 Cb 0.51 -2.51 0.00 0.00 -0.00 0.00 0.00 39.48 37.48 2kdz n PHE 4 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 2kdz n THR 5 N -3.70 0.00 -0.04 -2.13 5.66 -1.26 -5.00 114.28 107.80 2kdz n THR 5 Ca -0.02 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.00 2kdz n THR 5 Cb 0.50 0.00 0.36 0.00 -1.55 0.00 0.00 70.33 69.63 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 0.63 -0.59 1.09 5.08 -2.00 -2.45 114.58 116.34 2kdz h GLU 6 Ca 0.00 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2kdz h GLU 6 Cb 0.00 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2kdz h GLU 6 CO 0.00 0.47 0.38 0.93 -1.00 0.00 0.00 179.01 179.79 2kdz h GLU 7 N 0.64 0.74 0.00 2.33 5.08 -2.00 -2.06 114.58 119.30 2kdz h GLU 7 Ca 0.16 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2kdz h GLU 7 Cb 0.03 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2kdz h GLU 7 CO -0.03 0.49 -0.39 0.93 -1.00 0.00 0.00 179.01 179.01 2kdz h GLU 8 N 0.76 0.00 -0.43 2.33 3.07 -1.84 -1.91 114.58 116.56 2kdz h GLU 8 Ca 0.23 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 2kdz h GLU 8 Cb -0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 2kdz h GLU 8 CO -0.07 0.39 0.25 -0.44 -1.40 0.00 0.00 179.01 177.73 2kdz h ASP 9 N 0.00 0.52 -0.54 1.42 3.32 -1.04 0.51 116.42 120.61 2kdz h ASP 9 Ca -0.00 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 2kdz h ASP 9 Cb 0.73 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2kdz h ASP 9 CO 0.05 0.44 0.05 -0.07 -1.72 0.00 0.00 179.24 177.99 2kdz h LEU 10 N 0.56 0.89 -0.69 1.55 3.38 -1.19 -2.71 115.31 117.09 2kdz h LEU 10 Ca 0.15 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 2kdz h LEU 10 Cb 0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2kdz h LEU 10 CO -0.03 0.95 0.18 0.11 0.09 0.00 0.00 178.44 179.74 2kdz h LYS 11 N 0.80 1.11 -0.33 1.13 1.57 -0.93 -2.94 116.57 116.98 2kdz h LYS 11 Ca 0.16 -0.26 0.06 0.00 -1.87 0.00 0.00 60.65 58.74 2kdz h LYS 11 Cb 0.47 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 2kdz h LYS 11 CO 0.02 0.97 0.01 1.25 -0.57 0.00 0.00 179.45 181.13 2kdz h LEU 12 N 1.04 -0.11 -1.18 2.94 5.85 0.26 0.35 115.31 124.46 2kdz h LEU 12 Ca 0.22 0.07 0.10 0.00 0.84 0.00 0.00 57.88 59.11 2kdz h LEU 12 Cb 0.36 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 2kdz h LEU 12 CO 0.00 -0.02 0.58 -0.61 -0.34 0.00 0.00 178.44 178.05 2kdz h GLN 13 N 0.10 0.86 -0.06 1.25 5.75 -1.32 0.37 115.11 122.07 2kdz h GLN 13 Ca 0.16 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.49 2kdz h GLN 13 Cb 0.21 -0.19 0.01 0.00 1.07 0.00 0.00 27.48 28.57 2kdz h GLN 13 CO -0.26 0.57 -0.41 1.96 -2.65 0.00 0.00 178.83 178.04 2kdz h GLN 14 N 0.89 0.37 -0.26 1.69 1.08 -1.04 -2.36 115.11 115.48 2kdz h GLN 14 Ca 0.43 -0.33 -0.03 0.00 -1.45 0.00 0.00 58.65 57.27 2kdz h GLN 14 Cb 0.44 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 2kdz h GLN 14 CO -0.19 0.98 0.06 -0.07 -0.95 0.00 0.00 178.83 178.67 2kdz h LEU 15 N -0.12 0.40 -1.47 1.46 4.07 0.22 -1.70 115.31 118.17 2kdz h LEU 15 Ca -0.04 -0.23 -0.06 0.00 0.08 0.00 0.00 57.88 57.64 2kdz h LEU 15 Cb 1.08 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 2kdz h LEU 15 CO 0.08 0.53 -0.27 0.58 -1.08 0.00 0.00 178.44 178.28 2kdz h VAL 16 N 0.26 1.09 -0.20 1.22 2.07 -0.37 0.00 116.25 120.32 2kdz h VAL 16 Ca 0.08 -0.95 -0.15 0.00 0.82 0.00 0.00 66.70 66.51 2kdz h VAL 16 Cb 0.28 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2kdz h VAL 16 CO 0.00 0.26 -0.49 -0.03 0.02 0.00 0.00 177.57 177.34 2kdz h MET 17 N 0.00 0.52 0.01 1.57 -1.53 -1.07 0.26 114.93 114.69 2kdz h MET 17 Ca -0.00 -0.30 -0.00 0.00 -3.44 0.00 0.00 59.70 55.96 2kdz h MET 17 Cb 0.51 0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.58 2kdz h MET 17 CO 0.03 0.89 -0.00 0.00 0.14 0.00 0.00 176.91 177.97 2kdz h ARG 18 N 0.41 -0.01 0.14 0.39 3.08 -0.57 -3.39 114.38 114.43 2kdz h ARG 18 Ca 0.02 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.79 2kdz h ARG 18 Cb 1.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.06 2kdz h ARG 18 CO 0.09 0.82 -1.38 1.88 -1.07 0.00 0.00 179.97 180.31 2kdz h TYR 19 N -0.88 0.54 0.00 3.04 0.05 -1.10 -3.51 116.97 115.11 2kdz h TYR 19 Ca -0.00 -0.40 0.00 0.00 0.05 0.00 0.00 58.73 58.38 2kdz h TYR 19 Cb 0.83 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.55 2kdz h TYR 19 CO 0.22 1.54 0.00 0.41 -1.05 0.00 0.00 178.16 179.28 2kdz n GLY 20 N 1.75 0.62 2.25 3.88 0.00 0.92 -4.73 105.19 109.88 2kdz n GLY 20 Ca -0.23 -2.30 -0.29 0.00 0.00 0.00 0.00 46.02 43.20 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 -1.00 5.95 0.00 4.61 0.00 -1.26 -4.46 120.51 124.36 2kdz n ALA 21 Ca 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 53.44 50.21 2kdz n ALA 21 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 -1.02 0.00 -2.83 0.00 4.81 -1.26 -4.97 118.16 112.89 2kdz n LYS 22 Ca 0.61 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.61 2kdz n LYS 22 Cb 1.12 -0.13 -0.01 0.00 0.02 0.00 0.00 35.03 36.02 2kdz n LYS 22 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2kdz s ASP 23 N -5.01 6.81 0.00 3.14 -1.08 -1.26 -4.70 116.67 114.58 2kdz s ASP 23 Ca 0.00 -2.39 0.27 0.00 -0.52 0.00 0.00 52.55 49.92 2kdz s ASP 23 Cb 0.00 -2.45 0.96 0.00 -1.46 0.00 0.00 42.92 39.97 2kdz s ASP 23 CO 0.00 -1.02 1.73 0.79 0.52 0.00 0.00 175.17 177.19 2kdz n TRP 24 N 6.83 0.00 -0.21 -5.34 7.02 -1.26 -3.75 117.44 120.73 2kdz n TRP 24 Ca 0.34 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.75 2kdz n TRP 24 Cb 0.46 -0.40 0.03 0.00 -2.42 0.00 0.00 31.31 28.98 2kdz n TRP 24 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 2kdz h ILE 25 N 0.00 1.20 0.00 -0.99 2.04 -1.93 0.33 117.51 118.17 2kdz h ILE 25 Ca 0.00 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 2kdz h ILE 25 Cb 0.50 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2kdz h ILE 25 CO 0.00 0.22 -0.17 0.03 0.00 0.00 0.00 178.15 178.23 2kdz h ARG 26 N 0.79 0.00 0.08 2.37 -0.00 -1.98 -1.69 114.38 113.96 2kdz h ARG 26 Ca 0.20 0.00 -0.27 0.00 -0.50 0.00 0.00 59.98 59.41 2kdz h ARG 26 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.03 2kdz h ARG 26 CO -0.03 0.17 -1.35 0.82 0.00 0.00 0.00 179.97 179.57 2kdz h ILE 27 N 0.00 1.34 0.00 2.04 2.04 -1.47 -3.21 117.51 118.25 2kdz h ILE 27 Ca -0.00 -3.00 0.00 0.00 1.00 0.00 0.00 64.86 62.86 2kdz h ILE 27 Cb 0.40 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 2kdz h ILE 27 CO 0.02 0.84 0.00 -1.20 0.00 0.00 0.00 178.15 177.81 2kdz n SER 28 N -3.41 0.49 0.05 1.72 7.64 0.11 -1.24 113.62 118.99 2kdz n SER 28 Ca -0.11 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.44 2kdz n SER 28 Cb 1.02 -0.75 0.32 0.00 -1.01 0.00 0.00 64.21 63.78 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 0.40 0.03 1.43 4.20 -1.45 -3.11 115.11 116.62 2kdz h GLN 29 Ca 0.00 -0.10 -0.37 0.00 0.06 0.00 0.00 58.65 58.24 2kdz h GLN 29 Cb 0.19 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 2kdz h GLN 29 CO 0.00 0.51 -2.13 1.28 -0.67 0.00 0.00 178.83 177.82 2kdz n LEU 30 N -4.25 2.42 -4.42 1.46 4.77 -0.56 -4.66 117.00 111.76 2kdz n LEU 30 Ca 0.00 0.18 -0.45 0.00 -0.03 0.00 0.00 56.01 55.72 2kdz n LEU 30 Cb 0.28 -0.96 -0.02 0.00 -2.33 0.00 0.00 43.42 40.40 2kdz n LEU 30 CO 0.39 0.70 0.92 -0.04 -1.33 0.00 0.00 177.39 178.02 2kdz s MET 31 N -2.50 3.75 -0.04 3.23 -1.94 -0.37 -4.77 119.30 116.66 2kdz s MET 31 Ca -0.31 -2.20 0.18 0.00 -1.71 0.00 0.00 55.69 51.64 2kdz s MET 31 Cb 0.09 -4.80 -0.21 0.00 2.01 0.00 0.00 34.83 31.92 2kdz s MET 31 CO 0.62 -1.62 0.52 1.51 -0.01 0.00 0.00 175.02 176.04 2kdz n ILE 32 N 4.75 1.07 0.35 2.53 3.06 -1.18 -4.00 119.36 125.94 2kdz n ILE 32 Ca 0.24 -0.71 0.04 0.00 -2.50 0.00 0.00 62.75 59.82 2kdz n ILE 32 Cb 0.47 -0.54 0.18 0.00 0.54 0.00 0.00 39.64 40.28 2kdz n ILE 32 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2kdz n THR 33 N -2.74 1.04 -4.35 9.51 -2.24 -1.26 -4.81 114.28 109.43 2kdz n THR 33 Ca -0.16 -0.60 -0.20 0.00 -2.27 0.00 0.00 64.05 60.81 2kdz n THR 33 Cb 0.90 -0.20 -0.16 0.00 -2.10 0.00 0.00 70.33 68.78 2kdz n THR 33 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2kdz s ARG 34 N -1.74 0.95 0.09 -0.78 3.52 -1.26 -5.07 118.95 114.67 2kdz s ARG 34 Ca 0.25 -0.27 -0.33 0.00 -0.13 0.00 0.00 55.73 55.25 2kdz s ARG 34 Cb 0.17 -0.89 -0.12 0.00 -1.56 0.00 0.00 34.95 32.55 2kdz s ARG 34 CO 0.10 0.07 1.75 -1.71 -0.81 0.00 0.00 175.30 174.70 2kdz n ASN 35 N 3.43 3.55 -0.30 -2.12 2.85 -1.26 -4.88 115.26 116.54 2kdz n ASN 35 Ca -0.19 1.02 0.08 0.00 -0.11 0.00 0.00 54.58 55.37 2kdz n ASN 35 Cb 0.54 -1.46 0.23 0.00 1.24 0.00 0.00 39.78 40.33 2kdz n ASN 35 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2kdz h PRO 36 N 7.64 0.58 0.00 1.20 0.11 -1.92 0.19 132.00 139.80 2kdz h PRO 36 Ca -0.46 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2kdz h PRO 36 Cb 1.24 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2kdz h PRO 36 CO 0.93 0.39 -0.22 0.00 -0.21 0.00 0.00 178.00 178.88 2kdz h ARG 37 N 0.60 0.00 0.00 1.05 3.08 -1.95 -2.71 114.38 114.45 2kdz h ARG 37 Ca 0.47 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.43 2kdz h ARG 37 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2kdz h ARG 37 CO -0.38 0.22 -0.41 1.96 -1.07 0.00 0.00 179.97 180.30 2kdz h GLN 38 N 0.00 0.00 0.00 0.04 7.50 -1.00 -1.27 115.11 120.38 2kdz h GLN 38 Ca -0.00 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.09 2kdz h GLN 38 Cb 0.71 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.23 2kdz h GLN 38 CO 0.03 0.41 -0.25 0.00 -1.50 0.00 0.00 178.83 177.51 2kdz h ARG 40 N 0.00 0.26 -0.67 0.00 9.65 -1.45 -3.02 114.38 119.15 2kdz h ARG 40 Ca -0.00 -0.39 0.02 0.00 -1.10 0.00 0.00 59.98 58.50 2kdz h ARG 40 Cb 0.46 0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 29.14 2kdz h ARG 40 CO 0.03 1.15 0.44 1.49 2.80 0.00 0.00 179.97 185.88 2kdz h GLU 41 N 0.09 0.85 -0.22 0.20 4.81 -0.19 0.47 114.58 120.60 2kdz h GLU 41 Ca -0.10 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 58.98 2kdz h GLU 41 Cb 1.84 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 31.03 2kdz h GLU 41 CO 0.18 0.56 -0.23 -0.09 -0.73 0.00 0.00 179.01 178.71 2kdz h ARG 42 N 0.88 0.54 0.14 1.92 1.12 -1.42 -2.23 114.38 115.33 2kdz h ARG 42 Ca 0.26 -0.29 -0.00 0.00 -1.11 0.00 0.00 59.98 58.83 2kdz h ARG 42 Cb -0.06 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 29.91 2kdz h ARG 42 CO -0.07 0.88 -0.09 2.35 -3.11 0.00 0.00 179.97 179.93 2kdz h TRP 43 N 0.23 -0.22 0.00 2.20 2.91 -1.34 0.11 115.95 119.85 2kdz h TRP 43 Ca 0.03 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.05 2kdz h TRP 43 Cb 0.78 0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 29.51 2kdz h TRP 43 CO 0.08 -0.14 -0.02 -0.97 -1.03 0.00 0.00 178.44 176.36 2kdz h ASN 44 N -0.22 0.00 0.00 2.65 -1.24 -0.08 0.42 115.58 117.12 2kdz h ASN 44 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2kdz h ASN 44 Cb 0.18 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.23 2kdz h ASN 44 CO 0.01 0.02 -0.69 0.59 -1.29 0.00 0.00 177.43 176.07 2kdz n ASN 45 N -3.15 0.72 0.00 1.15 3.02 -0.84 -4.10 115.26 112.06 2kdz n ASN 45 Ca -0.01 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 2kdz n ASN 45 Cb 0.23 1.05 0.00 0.00 -0.61 0.00 0.00 39.78 40.45 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 -1.36 0.00 -0.02 3.10 9.36 0.00 -4.71 117.16 123.53 2kdz n TYR 46 Ca 0.02 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.20 2kdz n TYR 46 Cb 0.21 0.03 -0.13 0.00 -0.63 0.00 0.00 39.34 38.83 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 -2.15 1.30 -0.05 2.97 5.41 -0.45 -4.51 119.36 121.87 2kdz n ILE 47 Ca 0.00 -0.75 -0.06 0.00 1.00 0.00 0.00 62.75 62.93 2kdz n ILE 47 Cb 0.27 -0.72 -0.06 0.00 -0.71 0.00 0.00 39.64 38.42 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 -0.01 -6.33 4.38 -1.24 -0.45 -3.48 115.58 108.45 2kdz h ASN 48 Ca -0.28 -0.43 -0.48 0.00 0.71 0.00 0.00 56.30 55.81 2kdz h ASN 48 Cb 1.84 0.00 0.04 0.00 0.73 0.00 0.00 38.32 40.94 2kdz h ASN 48 CO 0.05 0.69 -0.02 -0.81 -1.29 0.00 0.00 177.43 176.05 2kdz n PRO 49 N -4.72 0.41 -3.55 6.67 -0.04 -1.26 -5.06 135.00 127.45 2kdz n PRO 49 Ca -0.05 -3.03 -0.27 0.00 -0.04 0.00 0.00 63.50 60.11 2kdz n PRO 49 Cb 0.21 -0.35 -0.09 0.00 -0.04 0.00 0.00 33.50 33.23 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 -2.48 3.91 -1.92 0.55 0.00 -1.26 -4.68 120.51 114.63 2kdz n ALA 50 Ca -0.14 -4.72 -0.25 0.00 0.00 0.00 0.00 53.44 48.33 2kdz n ALA 50 Cb 0.60 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 2kdz n ALA 50 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2kdz s LEU 51 N -2.22 3.12 0.00 0.00 2.34 -1.26 -4.77 118.68 115.89 2kdz s LEU 51 Ca 0.36 -0.34 0.00 0.00 0.06 0.00 0.00 54.13 54.21 2kdz s LEU 51 Cb 0.10 -2.55 0.00 0.00 -0.56 0.00 0.00 46.19 43.18 2kdz s LEU 51 CO -0.05 -2.98 0.00 -2.11 -1.06 0.00 0.00 176.35 170.15 2kdz n ARG 52 N 8.89 0.00 -4.16 1.48 1.85 -1.26 -5.01 116.66 118.45 2kdz n ARG 52 Ca 0.40 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.94 2kdz n ARG 52 Cb 0.47 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.79 2kdz n ARG 52 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2kdz n THR 53 N 0.00 -0.66 -0.96 8.89 -2.24 -1.26 -4.55 114.28 113.49 2kdz n THR 53 Ca 0.00 -0.33 0.12 0.00 -2.27 0.00 0.00 64.05 61.57 2kdz n THR 53 Cb 0.00 -0.78 -0.05 0.00 -2.10 0.00 0.00 70.33 67.40 2kdz n THR 53 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kdz n ASP 54 N -2.44 -5.72 -3.09 3.42 9.92 -1.26 -4.96 116.55 112.42 2kdz n ASP 54 Ca -0.19 0.74 0.00 0.00 -0.53 0.00 0.00 54.79 54.81 2kdz n ASP 54 Cb 0.57 -3.15 0.00 0.00 -0.64 0.00 0.00 41.12 37.89 2kdz n ASP 54 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2kdz n PRO 55 N -3.69 2.77 -2.58 -0.24 -0.04 -1.26 -5.05 135.00 124.90 2kdz n PRO 55 Ca -0.03 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.19 2kdz n PRO 55 Cb 0.45 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.95 2kdz n PRO 55 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2kdz s TRP 56 N 0.00 3.06 0.54 0.54 1.48 -1.26 -5.10 118.94 118.20 2kdz s TRP 56 Ca 0.00 0.30 -0.02 0.00 -1.06 0.00 0.00 56.10 55.32 2kdz s TRP 56 Cb 0.00 -2.72 0.01 0.00 -1.16 0.00 0.00 33.47 29.60 2kdz s TRP 56 CO 0.00 -0.84 0.80 -1.12 -4.06 0.00 0.00 176.95 171.73 2kdz s SER 57 N -4.36 5.54 0.43 -2.66 0.01 -1.26 -4.92 113.70 106.48 2kdz s SER 57 Ca 0.55 0.38 0.27 0.00 1.31 0.00 0.00 55.95 58.45 2kdz s SER 57 Cb -0.10 -1.41 1.46 0.00 0.21 0.00 0.00 66.02 66.17 2kdz s SER 57 CO 0.41 -1.00 1.81 -0.65 0.41 0.00 0.00 173.24 174.22 2kdz h PRO 58 N 0.05 0.00 -0.17 12.44 0.11 -1.98 -0.92 132.00 141.52 2kdz h PRO 58 Ca -0.45 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.53 2kdz h PRO 58 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2kdz h PRO 58 CO 0.58 0.00 -0.42 0.93 -0.21 0.00 0.00 178.00 178.87 2kdz h GLU 59 N 0.00 0.59 -0.10 1.05 5.08 -1.99 -1.25 114.58 117.96 2kdz h GLU 59 Ca 0.00 -0.41 -0.19 0.00 -1.00 0.00 0.00 59.36 57.77 2kdz h GLU 59 Cb 0.12 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2kdz h GLU 59 CO 0.00 1.02 -0.71 0.93 -1.00 0.00 0.00 179.01 179.25 2kdz h GLU 60 N 0.25 0.47 -0.64 2.33 3.07 -1.58 -1.80 114.58 116.67 2kdz h GLU 60 Ca -0.00 -0.38 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 2kdz h GLU 60 Cb 1.04 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.99 2kdz h GLU 60 CO 0.09 1.00 0.40 0.22 -1.40 0.00 0.00 179.01 179.33 2kdz h ASP 61 N 0.33 0.75 0.67 1.42 3.58 -1.23 0.59 116.42 122.54 2kdz h ASP 61 Ca -0.03 -0.04 -0.20 0.00 0.42 0.00 0.00 57.03 57.18 2kdz h ASP 61 Cb 1.29 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 2kdz h ASP 61 CO 0.13 0.57 -0.91 0.24 -2.88 0.00 0.00 179.24 176.39 2kdz h MET 62 N 0.87 0.15 0.09 0.28 2.86 -1.19 -3.14 114.93 114.85 2kdz h MET 62 Ca 0.23 -0.18 -0.25 0.00 -2.06 0.00 0.00 59.70 57.44 2kdz h MET 62 Cb -0.06 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2kdz h MET 62 CO -0.05 0.96 -1.17 1.25 1.06 0.00 0.00 176.91 178.96 2kdz h LEU 63 N 0.08 0.28 -0.77 1.22 5.85 -1.05 -3.30 115.31 117.62 2kdz h LEU 63 Ca -0.04 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 2kdz h LEU 63 Cb 1.56 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.47 2kdz h LEU 63 CO 0.13 1.24 0.45 -0.07 -0.34 0.00 0.00 178.44 179.86 2kdz h LEU 64 N 0.05 0.93 -1.27 2.25 3.38 0.14 -2.12 115.31 118.67 2kdz h LEU 64 Ca -0.10 -0.07 0.15 0.00 0.09 0.00 0.00 57.88 57.95 2kdz h LEU 64 Cb 1.91 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 42.35 2kdz h LEU 64 CO 0.18 0.73 0.58 -0.78 0.09 0.00 0.00 178.44 179.24 2kdz h ASP 65 N 1.05 0.66 0.16 -0.43 3.58 -1.62 0.51 116.42 120.33 2kdz h ASP 65 Ca 0.27 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 2kdz h ASP 65 Cb -0.02 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2kdz h ASP 65 CO -0.05 0.33 -0.07 -0.61 -2.88 0.00 0.00 179.24 175.95 2kdz h GLN 66 N 0.69 -0.20 -0.05 0.28 4.15 -1.52 -2.33 115.11 116.13 2kdz h GLN 66 Ca 0.46 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.84 2kdz h GLN 66 Cb 0.74 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 2kdz h GLN 66 CO -0.21 0.23 -0.19 0.87 -1.93 0.00 0.00 178.83 177.59 2kdz h LYS 67 N -0.76 0.08 0.00 1.69 1.79 -0.96 -2.07 116.57 116.34 2kdz h LYS 67 Ca -0.02 -0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.30 2kdz h LYS 67 Cb 0.52 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 2kdz h LYS 67 CO 0.04 0.28 -0.62 -0.92 -1.08 0.00 0.00 179.45 177.14 2kdz h TYR 68 N 0.08 0.00 -0.00 -1.35 3.20 -0.01 -0.47 116.97 118.42 2kdz h TYR 68 Ca 0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2kdz h TYR 68 Cb 0.39 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.66 2kdz h TYR 68 CO 0.00 0.62 -0.39 0.00 -1.64 0.00 0.00 178.16 176.75 2kdz n ALA 69 N -2.40 3.29 -0.13 1.82 0.00 -0.84 -1.76 120.51 120.50 2kdz n ALA 69 Ca -0.01 -0.30 -0.27 0.00 0.00 0.00 0.00 53.44 52.86 2kdz n ALA 69 Cb 0.63 -1.19 -0.09 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 -1.45 0.55 0.02 0.00 -0.58 -0.86 -4.66 120.64 113.66 2kdz n GLU 70 Ca 0.06 0.24 -0.14 0.00 -0.42 0.00 0.00 57.16 56.90 2kdz n GLU 70 Cb 0.34 -1.43 -0.14 0.00 -0.57 0.00 0.00 31.44 29.63 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 -0.95 0.26 0.00 -0.32 0.05 -1.26 -3.51 116.97 111.24 2kdz h TYR 71 Ca -0.61 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 57.98 2kdz h TYR 71 Cb 1.53 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.26 2kdz h TYR 71 CO -0.12 1.31 0.00 0.41 -1.05 0.00 0.00 178.16 178.71 2kdz n GLY 72 N 1.68 -1.41 2.57 3.88 0.00 -0.72 -4.70 105.19 106.50 2kdz n GLY 72 Ca -0.19 -2.14 -0.35 0.00 0.00 0.00 0.00 46.02 43.34 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 -0.05 2.79 -3.22 1.61 -0.04 -1.26 -4.64 135.00 130.20 2kdz n PRO 73 Ca 0.00 -2.00 -0.28 0.00 -0.04 0.00 0.00 63.50 61.17 2kdz n PRO 73 Cb 0.00 -2.80 -0.06 0.00 -0.04 0.00 0.00 33.50 30.61 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 4.64 2.98 -0.04 0.54 5.02 -1.26 -4.89 118.16 125.15 2kdz n LYS 74 Ca 0.60 -4.73 0.24 0.00 -2.02 0.00 0.00 58.31 52.40 2kdz n LYS 74 Cb 0.25 -2.28 0.66 0.00 -0.02 0.00 0.00 35.03 33.65 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 3.87 0.00 -0.96 2.13 -0.00 -1.94 0.11 115.95 119.16 2kdz h TRP 75 Ca 0.19 0.00 0.13 0.00 -0.00 0.00 0.00 58.89 59.20 2kdz h TRP 75 Cb 0.60 0.00 -0.09 0.00 -0.00 0.00 0.00 29.16 29.67 2kdz h TRP 75 CO 0.80 0.00 0.59 -0.97 -0.00 0.00 0.00 178.44 178.85 2kdz h ASN 76 N 0.00 0.84 0.38 -3.49 -0.73 -1.94 0.17 115.58 110.81 2kdz h ASN 76 Ca 0.32 0.06 -0.32 0.00 1.87 0.00 0.00 56.30 58.23 2kdz h ASN 76 Cb 1.74 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 40.21 2kdz h ASN 76 CO -0.00 0.43 -1.67 0.11 -0.37 0.00 0.00 177.43 175.92 2kdz h LYS 77 N 0.91 0.22 -0.66 6.67 6.56 -1.22 -3.37 116.57 125.67 2kdz h LYS 77 Ca 0.49 -0.37 -0.00 0.00 -1.06 0.00 0.00 60.65 59.71 2kdz h LYS 77 Cb 0.52 0.14 -0.03 0.00 -0.57 0.00 0.00 32.23 32.29 2kdz h LYS 77 CO -0.28 1.04 0.41 0.82 -2.06 0.00 0.00 179.45 179.37 2kdz h ILE 78 N 0.06 1.19 0.00 1.86 1.08 -0.88 -1.73 117.51 119.09 2kdz h ILE 78 Ca -0.29 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 63.77 2kdz h ILE 78 Cb 2.02 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 36.04 2kdz h ILE 78 CO 0.13 0.19 0.00 0.77 -0.69 0.00 0.00 178.15 178.56 2kdz h SER 79 N 0.90 0.00 0.83 1.72 4.64 -0.85 -1.13 113.55 119.67 2kdz h SER 79 Ca 0.24 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.32 2kdz h SER 79 Cb -0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 2kdz h SER 79 CO -0.05 0.00 -1.17 0.11 -0.87 0.00 0.00 176.83 174.85 2kdz h LYS 80 N 0.00 0.07 0.00 4.77 1.57 -1.47 -3.28 116.57 118.23 2kdz h LYS 80 Ca 0.00 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.53 2kdz h LYS 80 Cb 0.15 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2kdz h LYS 80 CO 0.00 0.98 -0.95 0.74 -0.57 0.00 0.00 179.45 179.65 2kdz h PHE 81 N 0.02 0.00 -3.52 -1.35 0.04 -1.20 -3.40 116.94 107.53 2kdz h PHE 81 Ca -0.08 0.00 -0.70 0.00 2.80 0.00 0.00 57.97 59.99 2kdz h PHE 81 Cb 1.85 0.00 -0.35 0.00 2.20 0.00 0.00 35.95 39.65 2kdz h PHE 81 CO 0.02 0.56 -0.31 -0.51 -0.60 0.00 0.00 178.31 177.47 2kdz s LEU 82 N -6.16 5.33 -1.12 1.54 2.01 -0.66 -5.02 118.68 114.61 2kdz s LEU 82 Ca 0.01 -3.02 -0.23 0.00 0.01 0.00 0.00 54.13 50.90 2kdz s LEU 82 Cb 0.08 -1.87 -0.08 0.00 0.01 0.00 0.00 46.19 44.33 2kdz s LEU 82 CO 0.78 -0.34 1.95 -0.75 1.01 0.00 0.00 176.35 179.00 2kdz s LYS 83 N -0.30 2.45 0.00 1.70 2.20 -1.26 -3.32 119.74 121.21 2kdz s LYS 83 Ca 0.19 -0.94 0.00 0.00 -0.36 0.00 0.00 55.97 54.86 2kdz s LYS 83 Cb -0.18 -5.19 0.00 0.00 -1.51 0.00 0.00 37.83 30.95 2kdz s LYS 83 CO -0.05 -3.91 0.00 -1.71 -0.36 0.00 0.00 175.35 169.31 2kdz n ASN 84 N 14.53 0.00 -4.65 1.43 2.85 -1.26 -5.16 115.26 123.00 2kdz n ASN 84 Ca 0.44 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.62 2kdz n ASN 84 Cb 0.47 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.40 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 -1.09 2.38 0.49 1.20 1.81 -1.21 -4.54 118.95 118.00 2kdz s ARG 85 Ca 0.00 -0.99 0.07 0.00 -1.72 0.00 0.00 55.73 53.09 2kdz s ARG 85 Cb 0.00 -2.41 0.02 0.00 -0.45 0.00 0.00 34.95 32.11 2kdz s ARG 85 CO 0.00 0.50 0.44 -1.54 -0.68 0.00 0.00 175.30 174.02 2kdz s SER 86 N -2.53 4.85 0.00 0.23 1.04 -1.26 -4.62 113.70 111.41 2kdz s SER 86 Ca 0.25 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2kdz s SER 86 Cb -0.11 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2kdz s SER 86 CO 0.17 -0.94 0.14 -0.90 0.98 0.00 0.00 173.24 172.69 2kdz n ASP 87 N -1.73 0.00 0.24 7.02 5.75 -1.26 -0.46 116.55 126.11 2kdz n ASP 87 Ca 0.03 0.14 0.18 0.00 -0.01 0.00 0.00 54.79 55.13 2kdz n ASP 87 Cb 0.63 0.00 0.87 0.00 -1.03 0.00 0.00 41.12 41.59 2kdz n ASP 87 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 2kdz h ASN 88 N 0.00 0.00 -0.00 -1.12 4.21 -1.96 -0.17 115.58 116.53 2kdz h ASN 88 Ca 0.00 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 2kdz h ASN 88 Cb 0.00 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2kdz h ASN 88 CO 0.00 0.00 -0.00 -1.13 -1.29 0.00 0.00 177.43 175.01 2kdz h ASN 89 N 0.00 0.01 -0.32 5.81 -0.73 -1.86 -0.81 115.58 117.68 2kdz h ASN 89 Ca 0.07 -0.39 -0.12 0.00 1.87 0.00 0.00 56.30 57.73 2kdz h ASN 89 Cb 0.57 -0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.14 2kdz h ASN 89 CO -0.00 0.40 -0.23 0.40 -0.37 0.00 0.00 177.43 177.63 2kdz h ILE 90 N -0.38 1.27 0.02 2.57 2.04 0.38 -0.96 117.51 122.45 2kdz h ILE 90 Ca 0.00 -1.36 0.02 0.00 1.00 0.00 0.00 64.86 64.53 2kdz h ILE 90 Cb 0.40 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 2kdz h ILE 90 CO 0.00 0.46 -0.18 -0.09 0.00 0.00 0.00 178.15 178.34 2kdz h ARG 91 N 0.71 -0.29 -0.40 2.37 9.65 -1.02 0.62 114.38 126.01 2kdz h ARG 91 Ca 0.09 0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.96 2kdz h ARG 91 Cb 0.76 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.39 2kdz h ARG 91 CO 0.06 -0.20 0.10 -0.91 2.80 0.00 0.00 179.97 181.83 2kdz h ASN 92 N -0.30 0.61 -0.40 -3.80 4.21 -1.07 -2.81 115.58 112.02 2kdz h ASN 92 Ca 0.05 -0.23 -0.03 0.00 1.21 0.00 0.00 56.30 57.30 2kdz h ASN 92 Cb 0.37 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.39 2kdz h ASN 92 CO -0.16 0.68 0.12 0.03 -1.29 0.00 0.00 177.43 176.81 2kdz h ARG 93 N 0.51 0.62 -0.62 0.81 -0.00 -0.83 -0.94 114.38 113.93 2kdz h ARG 93 Ca 0.13 -0.14 0.03 0.00 -0.50 0.00 0.00 59.98 59.50 2kdz h ARG 93 Cb 0.30 -0.09 -0.04 0.00 0.00 0.00 0.00 29.97 30.14 2kdz h ARG 93 CO 0.00 0.63 0.38 2.35 0.00 0.00 0.00 179.97 183.33 2kdz h TRP 94 N 0.50 0.71 -0.48 3.04 2.91 0.26 0.38 115.95 123.27 2kdz h TRP 94 Ca 0.13 0.02 -0.12 0.00 1.13 0.00 0.00 58.89 60.05 2kdz h TRP 94 Cb 0.27 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 28.68 2kdz h TRP 94 CO 0.01 0.40 -0.15 1.98 -1.03 0.00 0.00 178.44 179.65 2kdz h MET 95 N 0.74 0.96 -0.25 2.65 4.05 -1.36 0.59 114.93 122.32 2kdz h MET 95 Ca 0.25 -0.39 -0.05 0.00 -0.28 0.00 0.00 59.70 59.23 2kdz h MET 95 Cb 0.03 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 2kdz h MET 95 CO -0.11 1.05 -0.04 1.98 0.23 0.00 0.00 176.91 180.03 2kdz h MET 96 N 0.81 0.46 -0.56 0.39 1.85 -0.67 -2.46 114.93 114.76 2kdz h MET 96 Ca 0.12 -0.17 -0.07 0.00 -0.61 0.00 0.00 59.70 58.97 2kdz h MET 96 Cb 0.72 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.70 2kdz h MET 96 CO 0.06 0.67 0.08 0.82 -0.40 0.00 0.00 176.91 178.14 2kdz h ILE 97 N 0.21 1.26 -0.47 1.77 5.03 -0.20 -2.68 117.51 122.43 2kdz h ILE 97 Ca 0.06 -0.98 0.02 0.00 -0.12 0.00 0.00 64.86 63.84 2kdz h ILE 97 Cb 0.49 0.81 -0.02 0.00 -3.03 0.00 0.00 36.82 35.07 2kdz h ILE 97 CO 0.02 0.36 0.31 0.00 -0.68 0.00 0.00 178.15 178.16 2kdz h ALA 98 N 0.99 1.73 0.00 1.87 0.00 -0.82 0.17 119.26 123.21 2kdz h ALA 98 Ca 0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2kdz h ALA 98 Cb 0.43 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2kdz h ALA 98 CO 0.01 0.22 -0.24 -0.09 0.00 0.00 0.00 179.25 179.16 2kdz h ARG 99 N 0.57 0.00 0.00 0.00 2.43 -1.09 0.29 114.38 116.58 2kdz h ARG 99 Ca 0.18 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.15 2kdz h ARG 99 Cb 0.03 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 2kdz h ARG 99 CO -0.04 0.24 -1.56 1.58 -1.51 0.00 0.00 179.97 178.67 2kdz n HIS 100 N -4.23 0.90 0.08 2.20 -0.00 -0.25 -4.04 115.22 109.87 2kdz n HIS 100 Ca -0.02 0.31 -0.10 0.00 0.46 0.00 0.00 57.72 58.36 2kdz n HIS 100 Cb 0.29 -1.09 -0.10 0.00 -0.12 0.00 0.00 29.99 28.98 2kdz n HIS 100 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 2kdz h ARG 101 N 0.00 0.12 0.00 1.57 9.65 -0.30 -3.18 114.38 122.24 2kdz h ARG 101 Ca -0.21 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 2kdz h ARG 101 Cb 1.71 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 30.36 2kdz h ARG 101 CO 0.05 1.05 0.00 0.00 2.80 0.00 0.00 179.97 183.87 2kdz n ALA 102 N -2.43 1.83 -1.00 2.80 0.00 0.97 -4.98 120.51 117.70 2kdz n ALA 102 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2kdz n ALA 102 Cb 0.93 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.41 0.00 -3.43 0.00 4.76 -1.21 -4.88 118.16 111.99 2kdz n LYS 103 Ca 0.06 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.51 2kdz n LYS 103 Cb 0.17 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.33 2kdz n LYS 103 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 2kdz s HIS 104 N 0.00 -1.40 0.43 2.13 -3.43 -1.26 -4.91 115.29 106.86 2kdz s HIS 104 Ca 0.00 2.00 -0.14 0.00 -0.80 0.00 0.00 55.06 56.12 2kdz s HIS 104 Cb 0.00 0.68 -0.08 0.00 -1.43 0.00 0.00 32.58 31.76 2kdz s HIS 104 CO 0.00 -0.72 0.85 -0.65 -2.00 0.00 0.00 174.74 172.22 2kdz s GLN 105 N 2.86 3.90 0.00 -0.38 -0.21 -1.26 -4.95 119.66 119.62 2kdz s GLN 105 Ca 0.05 0.71 0.00 0.00 0.02 0.00 0.00 55.36 56.13 2kdz s GLN 105 Cb -0.13 -2.29 0.00 0.00 1.00 0.00 0.00 33.01 31.59 2kdz s GLN 105 CO -0.19 -0.09 0.00 1.17 -2.12 0.00 0.00 175.29 174.05 2kdz n LYS 106 N -1.24 0.00 0.00 2.91 4.81 -1.26 -5.34 118.16 118.04 2kdz n LYS 106 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2kdz n LYS 106 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 2kdz n LYS 106 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00