#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 0.59 -0.97 3.15 0.24 -1.26 -5.02 118.33 115.05 2kdz n VAL 2 Ca 0.00 -0.05 0.12 0.00 -2.04 0.00 0.00 64.34 62.37 2kdz n VAL 2 Cb 0.00 -0.76 -0.06 0.00 -1.47 0.00 0.00 33.84 31.54 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 -2.05 -2.24 -1.04 7.34 5.02 -1.26 -5.04 118.16 118.89 2kdz n LYS 3 Ca 0.05 1.82 0.14 0.00 -2.02 0.00 0.00 58.31 58.29 2kdz n LYS 3 Cb 0.34 -2.62 -0.04 0.00 -0.02 0.00 0.00 35.03 32.68 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 -3.60 -2.66 0.00 2.13 7.35 -1.26 -5.09 117.46 114.33 2kdz n PHE 4 Ca -0.06 1.36 0.00 0.00 -0.76 0.00 0.00 57.45 57.99 2kdz n PHE 4 Cb 0.46 -2.42 0.00 0.00 0.35 0.00 0.00 39.48 37.87 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 -3.57 0.00 -0.23 -2.13 5.66 -1.26 -5.00 114.28 107.76 2kdz n THR 5 Ca -0.01 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.92 2kdz n THR 5 Cb 0.48 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.30 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 0.91 -0.41 1.09 5.08 -1.99 -2.00 114.58 117.26 2kdz h GLU 6 Ca 0.00 -0.13 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2kdz h GLU 6 Cb 0.00 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.02 2kdz h GLU 6 CO 0.00 0.73 0.00 0.93 -1.00 0.00 0.00 179.01 179.67 2kdz h GLU 7 N 0.87 0.11 -0.04 2.33 5.08 -2.01 -1.80 114.58 119.12 2kdz h GLU 7 Ca 0.22 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.45 2kdz h GLU 7 Cb 0.12 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2kdz h GLU 7 CO -0.03 0.07 -0.54 0.93 -1.00 0.00 0.00 179.01 178.45 2kdz h GLU 8 N 0.11 0.11 -0.13 2.33 3.07 -1.91 -2.89 114.58 115.25 2kdz h GLU 8 Ca 0.20 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.00 2kdz h GLU 8 Cb 0.28 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 2kdz h GLU 8 CO -0.33 0.62 0.08 0.22 -1.40 0.00 0.00 179.01 178.20 2kdz h ASP 9 N 0.08 0.16 -0.63 1.42 3.58 -0.58 -0.66 116.42 119.79 2kdz h ASP 9 Ca -0.00 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 2kdz h ASP 9 Cb 0.98 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.95 2kdz h ASP 9 CO 0.08 0.16 0.32 -0.07 -2.88 0.00 0.00 179.24 176.84 2kdz h LEU 10 N 0.15 0.84 -1.04 2.28 3.38 -1.35 -1.97 115.31 117.60 2kdz h LEU 10 Ca 0.05 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2kdz h LEU 10 Cb 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2kdz h LEU 10 CO -0.01 0.71 -0.02 0.11 0.09 0.00 0.00 178.44 179.32 2kdz h LYS 11 N 0.93 0.66 -0.27 1.13 1.57 -1.23 -2.96 116.57 116.40 2kdz h LYS 11 Ca 0.23 -0.17 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 2kdz h LYS 11 Cb 0.09 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2kdz h LYS 11 CO -0.03 0.70 0.03 1.25 -0.57 0.00 0.00 179.45 180.83 2kdz h LEU 12 N 0.62 -0.04 -1.30 2.94 5.85 -0.33 0.10 115.31 123.15 2kdz h LEU 12 Ca 0.12 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.98 2kdz h LEU 12 Cb 0.42 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 2kdz h LEU 12 CO 0.02 0.01 0.53 -0.61 -0.34 0.00 0.00 178.44 178.05 2kdz h GLN 13 N 0.12 0.77 -0.18 1.25 5.75 -1.43 0.38 115.11 121.76 2kdz h GLN 13 Ca 0.12 -0.05 -0.20 0.00 -0.15 0.00 0.00 58.65 58.38 2kdz h GLN 13 Cb 0.14 -0.17 0.01 0.00 1.07 0.00 0.00 27.48 28.53 2kdz h GLN 13 CO -0.19 0.51 -0.68 1.96 -2.65 0.00 0.00 178.83 177.78 2kdz h GLN 14 N 0.79 0.78 -0.30 1.69 1.08 -1.26 -2.58 115.11 115.32 2kdz h GLN 14 Ca 0.37 -0.60 -0.11 0.00 -1.45 0.00 0.00 58.65 56.86 2kdz h GLN 14 Cb 0.38 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 2kdz h GLN 14 CO -0.14 1.21 -0.23 -0.07 -0.95 0.00 0.00 178.83 178.65 2kdz h LEU 15 N 0.51 0.72 -1.59 1.46 4.07 0.08 -2.55 115.31 118.01 2kdz h LEU 15 Ca -0.03 -0.45 -0.04 0.00 0.08 0.00 0.00 57.88 57.44 2kdz h LEU 15 Cb 1.31 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.84 2kdz h LEU 15 CO 0.14 1.01 -0.11 0.58 -1.08 0.00 0.00 178.44 178.98 2kdz h VAL 16 N 0.43 1.13 -0.13 1.22 2.07 -0.34 0.28 116.25 120.91 2kdz h VAL 16 Ca 0.06 -0.58 -0.15 0.00 0.82 0.00 0.00 66.70 66.84 2kdz h VAL 16 Cb 0.78 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2kdz h VAL 16 CO 0.06 0.18 -0.56 -0.03 0.02 0.00 0.00 177.57 177.24 2kdz h MET 17 N 0.12 0.39 0.08 1.57 1.85 -1.28 0.11 114.93 117.78 2kdz h MET 17 Ca 0.03 -0.25 -0.20 0.00 -0.61 0.00 0.00 59.70 58.67 2kdz h MET 17 Cb 0.28 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.34 2kdz h MET 17 CO 0.02 0.84 -1.02 0.00 -0.40 0.00 0.00 176.91 176.35 2kdz h ARG 18 N 0.30 0.17 0.00 0.39 3.08 -0.91 -3.39 114.38 114.02 2kdz h ARG 18 Ca 0.00 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2kdz h ARG 18 Cb 1.07 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2kdz h ARG 18 CO 0.09 1.14 -1.36 0.66 -1.07 0.00 0.00 179.97 179.43 2kdz n TYR 19 N -4.17 0.46 -0.50 3.04 4.01 0.91 -5.09 117.16 115.82 2kdz n TYR 19 Ca -0.21 0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2kdz n TYR 19 Cb 0.77 -0.67 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 2kdz n TYR 19 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kdz n GLY 20 N 1.26 -1.86 1.08 2.72 0.00 0.39 -4.19 105.19 104.59 2kdz n GLY 20 Ca -0.01 -1.92 -0.03 0.00 0.00 0.00 0.00 46.02 44.05 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 0.24 4.24 0.00 4.61 0.00 -1.26 -4.46 120.51 123.87 2kdz n ALA 21 Ca 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 53.44 50.20 2kdz n ALA 21 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.11 0.00 -1.54 0.00 4.81 -1.26 -4.90 118.16 114.17 2kdz n LYS 22 Ca 0.31 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.34 2kdz n LYS 22 Cb 0.94 -0.29 -0.01 0.00 0.02 0.00 0.00 35.03 35.68 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 -2.58 5.74 0.08 3.14 -0.08 -1.26 -4.53 116.55 117.05 2kdz n ASP 23 Ca 0.00 -2.72 0.13 0.00 -1.51 0.00 0.00 54.79 50.68 2kdz n ASP 23 Cb 0.21 -1.60 0.46 0.00 2.34 0.00 0.00 41.12 42.53 2kdz n ASP 23 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 2kdz n TRP 24 N 5.14 0.65 -0.15 -0.67 7.02 -1.26 -3.03 117.44 125.14 2kdz n TRP 24 Ca 0.62 0.20 -0.06 0.00 -1.02 0.00 0.00 57.50 57.24 2kdz n TRP 24 Cb 0.32 -0.83 0.11 0.00 -2.42 0.00 0.00 31.31 28.50 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 1.25 0.00 -0.99 2.04 -1.92 0.52 117.51 118.41 2kdz h ILE 25 Ca 0.00 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 2kdz h ILE 25 Cb 0.60 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2kdz h ILE 25 CO 0.00 0.38 -0.20 -0.09 0.00 0.00 0.00 178.15 178.24 2kdz h ARG 26 N 0.83 0.00 0.00 2.37 9.65 -1.93 -1.38 114.38 123.92 2kdz h ARG 26 Ca 0.15 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.97 2kdz h ARG 26 Cb 0.50 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 2kdz h ARG 26 CO 0.03 0.20 -0.69 0.82 2.80 0.00 0.00 179.97 183.12 2kdz h ILE 27 N 0.00 0.37 0.00 1.20 2.04 -1.43 -3.22 117.51 116.47 2kdz h ILE 27 Ca -0.00 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.28 2kdz h ILE 27 Cb 0.52 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 2kdz h ILE 27 CO 0.03 0.21 0.00 -1.20 0.00 0.00 0.00 178.15 177.19 2kdz n SER 28 N -2.99 0.00 -0.02 1.72 7.64 0.09 -2.55 113.62 117.50 2kdz n SER 28 Ca -0.00 -1.06 -0.12 0.00 1.01 0.00 0.00 58.87 58.69 2kdz n SER 28 Cb 0.66 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.05 -0.00 1.43 4.20 -1.53 -3.28 115.11 115.87 2kdz h GLN 29 Ca 0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 2kdz h GLN 29 Cb 0.00 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2kdz h GLN 29 CO 0.00 0.59 -0.77 -0.07 -0.67 0.00 0.00 178.83 177.91 2kdz h LEU 30 N -0.80 0.02 -7.70 1.46 3.38 -1.77 -3.38 115.31 106.52 2kdz h LEU 30 Ca -0.01 -0.02 -0.72 0.00 0.09 0.00 0.00 57.88 57.23 2kdz h LEU 30 Cb 0.67 -0.01 -0.32 0.00 0.09 0.00 0.00 40.66 41.09 2kdz h LEU 30 CO 0.01 0.78 -0.27 -0.04 0.09 0.00 0.00 178.44 179.01 2kdz s MET 31 N -3.27 2.76 -0.11 1.13 -1.94 -1.06 -4.88 119.30 111.94 2kdz s MET 31 Ca -0.01 -2.36 0.08 0.00 -1.71 0.00 0.00 55.69 51.69 2kdz s MET 31 Cb 0.12 -3.92 -0.24 0.00 2.01 0.00 0.00 34.83 32.80 2kdz s MET 31 CO 0.79 -1.20 0.41 1.51 -0.01 0.00 0.00 175.02 176.51 2kdz n ILE 32 N 3.87 1.60 0.77 2.53 3.06 -1.24 -4.07 119.36 125.89 2kdz n ILE 32 Ca 0.06 -0.75 0.01 0.00 -2.50 0.00 0.00 62.75 59.56 2kdz n ILE 32 Cb 0.41 -1.14 0.05 0.00 0.54 0.00 0.00 39.64 39.50 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 -3.12 0.38 -4.21 9.51 -2.24 -1.26 -4.74 114.28 108.60 2kdz n THR 33 Ca -0.26 -0.17 -0.20 0.00 -2.27 0.00 0.00 64.05 61.15 2kdz n THR 33 Cb 1.07 -0.50 -0.16 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.16 0.85 0.14 -0.78 3.52 -1.26 -5.07 118.95 115.19 2kdz s ARG 34 Ca 0.06 -0.15 -0.32 0.00 -0.13 0.00 0.00 55.73 55.20 2kdz s ARG 34 Cb 0.05 -0.83 -0.12 0.00 -1.56 0.00 0.00 34.95 32.49 2kdz s ARG 34 CO 0.02 -0.04 1.78 -1.71 -0.81 0.00 0.00 175.30 174.54 2kdz n ASN 35 N 3.86 3.88 -0.33 -2.12 2.85 -1.26 -4.88 115.26 117.25 2kdz n ASN 35 Ca -0.24 1.02 0.10 0.00 -0.11 0.00 0.00 54.58 55.35 2kdz n ASN 35 Cb 0.52 -1.53 0.27 0.00 1.24 0.00 0.00 39.78 40.28 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 7.75 0.74 0.00 1.20 0.11 -1.91 0.27 132.00 140.16 2kdz h PRO 36 Ca -0.45 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2kdz h PRO 36 Cb 1.22 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2kdz h PRO 36 CO 0.94 0.49 -0.21 0.00 -0.21 0.00 0.00 178.00 179.01 2kdz h ARG 37 N 0.76 0.00 0.00 1.05 3.08 -1.95 -2.51 114.38 114.81 2kdz h ARG 37 Ca 0.52 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.44 2kdz h ARG 37 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2kdz h ARG 37 CO -0.35 0.21 -0.63 1.96 -1.07 0.00 0.00 179.97 180.09 2kdz h GLN 38 N 0.00 0.00 -0.47 0.04 7.50 -0.83 0.28 115.11 121.63 2kdz h GLN 38 Ca -0.00 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.05 2kdz h GLN 38 Cb 0.60 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.11 2kdz h GLN 38 CO 0.03 0.63 -0.09 0.00 -1.50 0.00 0.00 178.83 177.89 2kdz h ARG 40 N 0.76 0.88 0.00 0.00 2.43 -1.34 -2.15 114.38 114.96 2kdz h ARG 40 Ca 0.13 -0.35 -0.02 0.00 -0.81 0.00 0.00 59.98 58.92 2kdz h ARG 40 Cb 0.59 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2kdz h ARG 40 CO 0.04 1.00 -0.10 1.49 -1.51 0.00 0.00 179.97 180.88 2kdz h GLU 41 N 0.76 0.00 0.14 0.20 4.81 -0.43 -1.01 114.58 119.05 2kdz h GLU 41 Ca 0.11 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2kdz h GLU 41 Cb 0.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2kdz h GLU 41 CO 0.06 0.10 -0.07 -0.09 -0.73 0.00 0.00 179.01 178.28 2kdz h ARG 42 N 0.00 -0.18 -0.58 1.92 9.65 -0.43 -2.74 114.38 122.02 2kdz h ARG 42 Ca -0.00 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.94 2kdz h ARG 42 Cb 0.40 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.97 2kdz h ARG 42 CO 0.01 -0.12 0.31 2.35 2.80 0.00 0.00 179.97 185.33 2kdz h TRP 43 N -0.92 0.58 0.00 2.20 2.91 -1.42 0.80 115.95 120.10 2kdz h TRP 43 Ca -0.02 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 59.97 2kdz h TRP 43 Cb 0.14 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 2kdz h TRP 43 CO 0.00 0.29 -0.24 -0.97 -1.03 0.00 0.00 178.44 176.50 2kdz h ASN 44 N 0.60 0.00 -0.13 2.65 -1.24 -1.32 0.36 115.58 116.50 2kdz h ASN 44 Ca 0.25 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.26 2kdz h ASN 44 Cb 0.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.18 2kdz h ASN 44 CO -0.16 0.24 0.00 0.59 -1.29 0.00 0.00 177.43 176.81 2kdz n ASN 45 N -3.99 2.35 0.02 1.15 3.02 -0.89 -4.08 115.26 112.85 2kdz n ASN 45 Ca -0.02 -1.67 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 2kdz n ASN 45 Cb 0.31 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 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 0.70 -0.22 0.67 3.10 9.36 0.22 -4.85 117.16 126.14 2kdz n TYR 46 Ca 0.09 0.04 0.10 0.00 3.32 0.00 0.00 57.90 61.45 2kdz n TYR 46 Cb 0.36 0.18 -0.13 0.00 -0.63 0.00 0.00 39.34 39.12 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 -2.99 0.00 -0.05 2.97 5.41 -0.92 -4.58 119.36 119.20 2kdz n ILE 47 Ca 0.00 -0.16 -0.04 0.00 1.00 0.00 0.00 62.75 63.55 2kdz n ILE 47 Cb 0.25 0.71 -0.04 0.00 -0.71 0.00 0.00 39.64 39.85 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 -4.77 4.38 -1.24 -1.14 -3.48 115.58 109.31 2kdz h ASN 48 Ca 0.00 -0.30 -0.26 0.00 0.71 0.00 0.00 56.30 56.45 2kdz h ASN 48 Cb 0.63 0.00 0.04 0.00 0.73 0.00 0.00 38.32 39.72 2kdz h ASN 48 CO 0.00 0.64 0.04 -0.81 -1.29 0.00 0.00 177.43 176.01 2kdz n PRO 49 N -4.74 0.36 -2.89 6.67 -0.04 -1.26 -5.05 135.00 128.07 2kdz n PRO 49 Ca -0.03 -1.58 -0.29 0.00 -0.04 0.00 0.00 63.50 61.56 2kdz n PRO 49 Cb 0.15 -0.31 -0.03 0.00 -0.04 0.00 0.00 33.50 33.27 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 -2.86 4.90 -0.84 0.55 0.00 -1.26 -4.86 120.51 116.13 2kdz n ALA 50 Ca -0.09 -4.69 -0.42 0.00 0.00 0.00 0.00 53.44 48.24 2kdz n ALA 50 Cb 0.33 -0.94 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.23 2.21 0.00 0.00 -0.00 -1.26 -4.67 117.00 113.05 2kdz n LEU 51 Ca 0.33 -2.11 0.00 0.00 -0.00 0.00 0.00 56.01 54.23 2kdz n LEU 51 Cb 0.37 -0.83 0.00 0.00 -0.00 0.00 0.00 43.42 42.97 2kdz n LEU 51 CO 0.37 -1.48 0.00 0.54 -0.00 0.00 0.00 177.39 176.81 2kdz n ARG 52 N 7.65 0.00 -4.15 1.47 1.74 -1.26 -5.00 116.66 117.11 2kdz n ARG 52 Ca 0.48 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 57.18 2kdz n ARG 52 Cb 0.42 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.82 2kdz n ARG 52 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2kdz n THR 53 N 0.00 -1.76 -1.11 0.55 -2.24 -1.26 -4.62 114.28 103.84 2kdz n THR 53 Ca 0.00 -0.52 0.14 0.00 -2.27 0.00 0.00 64.05 61.40 2kdz n THR 53 Cb 0.00 -1.56 -0.05 0.00 -2.10 0.00 0.00 70.33 66.61 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 -2.31 -6.64 -3.28 3.42 8.00 -1.26 -4.95 116.55 109.53 2kdz n ASP 54 Ca -0.20 0.80 0.00 0.00 0.71 0.00 0.00 54.79 56.10 2kdz n ASP 54 Cb 0.59 -3.59 0.00 0.00 -0.02 0.00 0.00 41.12 38.10 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 1.40 -2.01 -0.24 -0.04 -1.26 -5.04 135.00 123.91 2kdz n PRO 55 Ca -0.03 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.13 2kdz n PRO 55 Cb 0.52 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.01 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 3.41 0.63 0.54 1.48 -1.26 -5.08 118.94 118.66 2kdz s TRP 56 Ca 0.00 1.03 -0.07 0.00 -1.06 0.00 0.00 56.10 56.01 2kdz s TRP 56 Cb 0.00 -2.88 0.02 0.00 -1.16 0.00 0.00 33.47 29.45 2kdz s TRP 56 CO 0.00 -0.94 0.95 -1.12 -4.06 0.00 0.00 176.95 171.78 2kdz s SER 57 N -4.29 5.36 0.58 -2.66 0.01 -1.26 -4.92 113.70 106.52 2kdz s SER 57 Ca 0.56 0.68 0.28 0.00 1.31 0.00 0.00 55.95 58.78 2kdz s SER 57 Cb -0.11 -1.56 1.65 0.00 0.21 0.00 0.00 66.02 66.22 2kdz s SER 57 CO 0.51 -1.24 2.13 -0.65 0.41 0.00 0.00 173.24 174.40 2kdz h PRO 58 N -0.34 0.00 -0.55 12.44 0.11 -1.99 0.15 132.00 141.82 2kdz h PRO 58 Ca -0.45 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 2kdz h PRO 58 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 2kdz h PRO 58 CO 0.61 0.00 -0.02 0.93 -0.21 0.00 0.00 178.00 179.31 2kdz h GLU 59 N 0.00 0.96 -0.40 1.05 5.08 -2.00 -1.98 114.58 117.30 2kdz h GLU 59 Ca 0.07 -0.30 -0.14 0.00 -1.00 0.00 0.00 59.36 57.99 2kdz h GLU 59 Cb 0.40 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2kdz h GLU 59 CO -0.00 0.96 -0.32 0.93 -1.00 0.00 0.00 179.01 179.58 2kdz h GLU 60 N 0.88 0.89 -0.67 2.33 3.07 -1.34 -0.85 114.58 118.89 2kdz h GLU 60 Ca 0.16 -0.43 0.04 0.00 -0.50 0.00 0.00 59.36 58.63 2kdz h GLU 60 Cb 0.55 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.40 2kdz h GLU 60 CO 0.03 1.08 0.40 0.22 -1.40 0.00 0.00 179.01 179.34 2kdz h ASP 61 N 0.75 0.62 -0.14 1.42 1.82 -1.06 0.72 116.42 120.55 2kdz h ASP 61 Ca 0.08 0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 56.57 2kdz h ASP 61 Cb 0.89 -0.11 0.01 0.00 0.68 0.00 0.00 39.33 40.80 2kdz h ASP 61 CO 0.08 0.42 -0.52 0.24 -1.61 0.00 0.00 179.24 177.85 2kdz h MET 62 N 0.75 0.60 -0.22 0.28 2.86 -1.24 -2.76 114.93 115.21 2kdz h MET 62 Ca 0.28 -0.46 -0.13 0.00 -2.06 0.00 0.00 59.70 57.34 2kdz h MET 62 Cb 0.10 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 2kdz h MET 62 CO -0.14 1.08 -0.36 1.25 1.06 0.00 0.00 176.91 179.80 2kdz h LEU 63 N 0.24 0.70 -1.03 1.22 5.85 -0.89 -3.22 115.31 118.19 2kdz h LEU 63 Ca -0.03 -0.52 0.02 0.00 0.84 0.00 0.00 57.88 58.19 2kdz h LEU 63 Cb 1.15 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 2kdz h LEU 63 CO 0.11 1.09 0.65 -0.07 -0.34 0.00 0.00 178.44 179.88 2kdz h LEU 64 N 0.33 1.11 -1.23 2.25 3.38 0.38 -0.08 115.31 121.45 2kdz h LEU 64 Ca 0.02 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2kdz h LEU 64 Cb 0.95 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 2kdz h LEU 64 CO 0.08 0.78 0.54 -0.78 0.09 0.00 0.00 178.44 179.15 2kdz h ASP 65 N 1.30 0.84 0.00 -0.43 3.58 -1.50 0.47 116.42 120.67 2kdz h ASP 65 Ca 0.38 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.83 2kdz h ASP 65 Cb -0.07 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.80 2kdz h ASP 65 CO -0.10 0.55 -0.00 -0.61 -2.88 0.00 0.00 179.24 176.20 2kdz h GLN 66 N 0.96 -0.00 -0.12 0.28 4.15 -1.38 -2.52 115.11 116.47 2kdz h GLN 66 Ca 0.35 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.75 2kdz h GLN 66 Cb 0.15 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 2kdz h GLN 66 CO -0.12 0.73 -0.01 0.87 -1.93 0.00 0.00 178.83 178.37 2kdz h LYS 67 N -0.75 0.18 0.00 1.69 1.79 -0.68 -1.56 116.57 117.24 2kdz h LYS 67 Ca -0.00 -0.02 -0.17 0.00 -2.18 0.00 0.00 60.65 58.27 2kdz h LYS 67 Cb 0.74 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 2kdz h LYS 67 CO 0.00 0.21 -0.83 -0.92 -1.08 0.00 0.00 179.45 176.83 2kdz h TYR 68 N 0.18 0.02 0.00 -1.35 3.20 -0.12 -0.87 116.97 118.03 2kdz h TYR 68 Ca 0.04 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2kdz h TYR 68 Cb 0.14 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2kdz h TYR 68 CO 0.00 0.83 0.00 0.00 -1.64 0.00 0.00 178.16 177.35 2kdz n ALA 69 N -2.39 2.37 -0.08 1.82 0.00 -0.63 -1.38 120.51 120.23 2kdz n ALA 69 Ca -0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.15 2kdz n ALA 69 Cb 0.79 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.41 0.35 -0.02 0.00 -0.58 -0.91 -4.75 120.64 113.31 2kdz n GLU 70 Ca 0.10 0.15 -0.09 0.00 -0.42 0.00 0.00 57.16 56.90 2kdz n GLU 70 Cb 0.30 -1.09 -0.14 0.00 -0.57 0.00 0.00 31.44 29.94 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 -0.60 0.01 0.00 -0.32 0.05 -1.30 -3.51 116.97 111.30 2kdz h TYR 71 Ca -0.37 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.40 2kdz h TYR 71 Cb 1.27 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.01 2kdz h TYR 71 CO -0.08 1.01 0.00 0.41 -1.05 0.00 0.00 178.16 178.45 2kdz n GLY 72 N 1.55 0.89 1.34 3.88 0.00 -0.48 -4.28 105.19 108.09 2kdz n GLY 72 Ca -0.16 -1.67 -0.05 0.00 0.00 0.00 0.00 46.02 44.15 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 1.97 -1.08 1.61 -0.04 -1.26 -4.55 135.00 131.65 2kdz n PRO 73 Ca 0.00 -1.27 -0.27 0.00 -0.04 0.00 0.00 63.50 61.91 2kdz n PRO 73 Cb 0.00 -1.62 -0.06 0.00 -0.04 0.00 0.00 33.50 31.77 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 -0.00 2.82 0.26 0.54 5.02 -1.26 -4.61 118.16 120.93 2kdz n LYS 74 Ca 0.19 -1.66 0.18 0.00 -2.02 0.00 0.00 58.31 55.00 2kdz n LYS 74 Cb 0.85 -2.47 0.88 0.00 -0.02 0.00 0.00 35.03 34.26 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 4.73 0.00 -0.92 2.13 4.06 -1.96 0.12 115.95 124.12 2kdz h TRP 75 Ca 0.59 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.54 2kdz h TRP 75 Cb 0.58 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.70 2kdz h TRP 75 CO 1.84 0.00 0.55 -0.97 -3.56 0.00 0.00 178.44 176.30 2kdz h ASN 76 N 0.00 1.10 0.59 -3.49 -0.73 -1.95 0.10 115.58 111.19 2kdz h ASN 76 Ca 0.06 -0.07 -0.28 0.00 1.87 0.00 0.00 56.30 57.88 2kdz h ASN 76 Cb 0.57 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.85 2kdz h ASN 76 CO -0.00 0.85 -1.48 0.11 -0.37 0.00 0.00 177.43 176.53 2kdz h LYS 77 N 1.26 0.10 -0.70 6.67 6.56 -1.21 -3.35 116.57 125.91 2kdz h LYS 77 Ca 0.33 -0.18 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 2kdz h LYS 77 Cb -0.05 0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 31.64 2kdz h LYS 77 CO -0.06 0.88 0.44 0.82 -2.06 0.00 0.00 179.45 179.46 2kdz h ILE 78 N 0.03 1.19 0.00 1.86 1.08 -0.71 -1.54 117.51 119.42 2kdz h ILE 78 Ca -0.21 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 63.87 2kdz h ILE 78 Cb 1.95 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 2kdz h ILE 78 CO 0.12 0.19 0.00 -1.54 -0.69 0.00 0.00 178.15 176.24 2kdz n SER 79 N -4.57 0.57 0.09 1.72 3.41 0.31 -1.20 113.62 113.95 2kdz n SER 79 Ca 0.06 0.71 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 2kdz n SER 79 Cb 0.04 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.15 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 1.57 -1.42 -3.25 116.57 117.80 2kdz h LYS 80 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2kdz h LYS 80 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2kdz h LYS 80 CO 0.00 0.50 -0.83 0.74 -0.57 0.00 0.00 179.45 179.28 2kdz h PHE 81 N 0.00 0.00 -2.77 -1.35 0.04 -1.11 -3.38 116.94 108.36 2kdz h PHE 81 Ca -0.06 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.09 2kdz h PHE 81 Cb 1.52 0.00 -0.42 0.00 2.20 0.00 0.00 35.95 39.25 2kdz h PHE 81 CO 0.00 0.30 -0.57 1.28 -0.60 0.00 0.00 178.31 178.72 2kdz n LEU 82 N -2.95 3.33 -4.56 1.54 7.99 -0.93 -5.04 117.00 116.39 2kdz n LEU 82 Ca -0.02 -5.30 -0.14 0.00 -0.01 0.00 0.00 56.01 50.55 2kdz n LEU 82 Cb 0.68 -0.73 -0.08 0.00 -0.11 0.00 0.00 43.42 43.17 2kdz n LEU 82 CO 0.40 1.86 1.26 1.17 -1.51 0.00 0.00 177.39 180.58 2kdz n LYS 83 N 1.56 0.52 0.00 3.23 4.81 -1.24 -2.88 118.16 124.16 2kdz n LYS 83 Ca 0.24 -0.82 0.00 0.00 -0.87 0.00 0.00 58.31 56.86 2kdz n LYS 83 Cb 0.37 -3.54 0.00 0.00 0.02 0.00 0.00 35.03 31.88 2kdz n LYS 83 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2kdz n ASN 84 N 17.97 0.00 -4.85 3.14 4.05 -1.26 -5.13 115.26 129.18 2kdz n ASN 84 Ca 0.48 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 55.22 2kdz n ASN 84 Cb 0.41 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 41.37 2kdz n ASN 84 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 2kdz s ARG 85 N 0.00 3.13 0.50 1.20 1.81 -1.14 -4.16 118.95 120.30 2kdz s ARG 85 Ca 0.00 -0.62 0.06 0.00 -1.72 0.00 0.00 55.73 53.45 2kdz s ARG 85 Cb 0.00 -2.85 0.02 0.00 -0.45 0.00 0.00 34.95 31.67 2kdz s ARG 85 CO 0.00 0.56 0.37 -1.54 -0.68 0.00 0.00 175.30 174.01 2kdz s SER 86 N -2.63 4.67 0.00 0.23 1.04 -1.26 -4.63 113.70 111.12 2kdz s SER 86 Ca 0.32 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2kdz s SER 86 Cb -0.12 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2kdz s SER 86 CO 0.25 -0.95 0.74 -0.90 0.98 0.00 0.00 173.24 173.36 2kdz n ASP 87 N -1.65 0.00 0.31 7.02 5.75 -1.26 0.29 116.55 127.01 2kdz n ASP 87 Ca -0.01 0.74 0.18 0.00 -0.01 0.00 0.00 54.79 55.69 2kdz n ASP 87 Cb 0.64 -0.24 0.94 0.00 -1.03 0.00 0.00 41.12 41.42 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 0.10 -1.12 -1.24 -1.97 -0.67 115.58 110.68 2kdz h ASN 88 Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.80 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 -1.01 -1.13 -1.29 0.00 0.00 177.43 174.00 2kdz h ASN 89 N 0.00 0.33 -0.05 1.15 -0.73 -1.87 -3.06 115.58 111.35 2kdz h ASN 89 Ca 0.02 -0.88 -0.00 0.00 1.87 0.00 0.00 56.30 57.31 2kdz h ASN 89 Cb 0.47 -0.11 -0.00 0.00 0.27 0.00 0.00 38.32 38.95 2kdz h ASN 89 CO -0.00 1.45 0.01 0.40 -0.37 0.00 0.00 177.43 178.92 2kdz h ILE 90 N -0.47 1.19 -0.90 2.57 2.04 0.87 -1.55 117.51 121.25 2kdz h ILE 90 Ca -0.21 -0.57 0.07 0.00 1.00 0.00 0.00 64.86 65.15 2kdz h ILE 90 Cb 1.59 1.48 -0.06 0.00 -0.74 0.00 0.00 36.82 39.09 2kdz h ILE 90 CO 0.06 0.15 0.59 -0.09 0.00 0.00 0.00 178.15 178.87 2kdz h ARG 91 N -0.14 0.99 0.30 2.37 9.65 -1.33 0.54 114.38 126.76 2kdz h ARG 91 Ca 0.01 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 2kdz h ARG 91 Cb 0.24 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 2kdz h ARG 91 CO 0.00 0.66 -0.14 -0.97 2.80 0.00 0.00 179.97 182.31 2kdz h ASN 92 N 1.02 -0.34 0.36 -3.80 -0.73 -1.41 -2.77 115.58 107.91 2kdz h ASN 92 Ca 0.39 -0.12 -0.09 0.00 1.87 0.00 0.00 56.30 58.35 2kdz h ASN 92 Cb 0.21 0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 2kdz h ASN 92 CO -0.15 -0.07 -0.40 -0.09 -0.37 0.00 0.00 177.43 176.35 2kdz h ARG 93 N -0.62 0.05 -0.18 6.67 9.65 -0.80 -1.08 114.38 128.07 2kdz h ARG 93 Ca -0.04 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 2kdz h ARG 93 Cb 0.44 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 2kdz h ARG 93 CO 0.07 0.44 0.09 2.35 2.80 0.00 0.00 179.97 185.72 2kdz h TRP 94 N 0.04 0.17 -0.11 2.20 2.91 0.14 0.38 115.95 121.69 2kdz h TRP 94 Ca 0.00 0.01 -0.21 0.00 1.13 0.00 0.00 58.89 59.82 2kdz h TRP 94 Cb 0.72 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.33 2kdz h TRP 94 CO 0.00 0.10 -0.77 1.98 -1.03 0.00 0.00 178.44 178.72 2kdz h MET 95 N 0.19 0.59 -0.19 2.65 4.05 -1.37 -1.50 114.93 119.36 2kdz h MET 95 Ca 0.07 -0.49 -0.01 0.00 -0.28 0.00 0.00 59.70 58.99 2kdz h MET 95 Cb 0.01 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 2kdz h MET 95 CO -0.05 1.11 0.09 1.98 0.23 0.00 0.00 176.91 180.27 2kdz h MET 96 N 0.40 0.27 0.00 0.39 1.85 -0.90 -2.71 114.93 114.23 2kdz h MET 96 Ca -0.05 -0.04 -0.08 0.00 -0.61 0.00 0.00 59.70 58.93 2kdz h MET 96 Cb 1.38 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.35 2kdz h MET 96 CO 0.15 0.31 -0.36 0.97 -0.40 0.00 0.00 176.91 177.57 2kdz h ILE 97 N 0.17 0.73 -0.24 1.77 6.09 -0.29 -3.04 117.51 122.71 2kdz h ILE 97 Ca 0.06 -1.66 -0.03 0.00 -1.37 0.00 0.00 64.86 61.87 2kdz h ILE 97 Cb 0.13 2.08 -0.01 0.00 0.47 0.00 0.00 36.82 39.49 2kdz h ILE 97 CO -0.01 0.36 0.02 0.00 -3.07 0.00 0.00 178.15 175.45 2kdz h ALA 98 N 1.64 1.60 0.00 0.18 0.00 -0.96 0.13 119.26 121.84 2kdz h ALA 98 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2kdz h ALA 98 Cb 1.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2kdz h ALA 98 CO 0.05 0.30 -0.13 -0.09 0.00 0.00 0.00 179.25 179.38 2kdz h ARG 99 N 0.34 0.00 0.06 0.00 2.43 -1.37 0.20 114.38 116.04 2kdz h ARG 99 Ca 0.08 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.92 2kdz h ARG 99 Cb 0.20 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 2kdz h ARG 99 CO 0.00 0.13 -1.88 1.58 -1.51 0.00 0.00 179.97 178.30 2kdz n HIS 100 N -3.73 1.08 -0.03 2.20 -0.00 -0.24 -3.99 115.22 110.51 2kdz n HIS 100 Ca -0.02 0.30 -0.04 0.00 0.46 0.00 0.00 57.72 58.42 2kdz n HIS 100 Cb 0.24 -1.17 0.17 0.00 -0.12 0.00 0.00 29.99 29.12 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 0.03 0.60 0.00 1.57 9.65 -0.30 -2.19 114.38 123.74 2kdz h ARG 101 Ca -0.36 -0.21 0.00 0.00 -1.10 0.00 0.00 59.98 58.30 2kdz h ARG 101 Cb 2.03 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 30.57 2kdz h ARG 101 CO 0.08 0.76 0.00 0.00 2.80 0.00 0.00 179.97 183.61 2kdz n ALA 102 N -2.49 2.34 -0.57 2.80 0.00 0.66 -4.97 120.51 118.28 2kdz n ALA 102 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2kdz n ALA 102 Cb 0.39 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.01 0.00 -3.62 0.00 4.76 -0.83 -4.87 118.16 112.59 2kdz n LYS 103 Ca 0.17 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.50 2kdz n LYS 103 Cb 0.08 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.20 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 -0.52 0.15 2.13 -3.43 -1.26 -4.83 115.29 107.53 2kdz s HIS 104 Ca 0.00 1.21 0.09 0.00 -0.80 0.00 0.00 55.06 55.56 2kdz s HIS 104 Cb 0.00 0.36 -0.04 0.00 -1.43 0.00 0.00 32.58 31.47 2kdz s HIS 104 CO 0.00 -0.29 -0.16 -0.65 -2.00 0.00 0.00 174.74 171.64 2kdz s GLN 105 N -0.03 1.84 0.22 -0.38 -0.21 -1.26 -5.02 119.66 114.82 2kdz s GLN 105 Ca 0.01 -1.26 0.00 0.00 0.02 0.00 0.00 55.36 54.14 2kdz s GLN 105 Cb -0.04 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 31.88 2kdz s GLN 105 CO -0.03 0.45 0.00 1.63 -2.12 0.00 0.00 175.29 175.23 2kdz n LYS 106 N 0.47 0.00 0.00 2.91 5.02 -1.26 -5.34 118.16 119.96 2kdz n LYS 106 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 2kdz n LYS 106 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 2kdz n LYS 106 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31