#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 0.11 -2.83 3.15 0.24 -1.26 -5.01 118.33 112.73 2kdz n VAL 2 Ca 0.00 0.03 0.12 0.00 -2.04 0.00 0.00 64.34 62.45 2kdz n VAL 2 Cb 0.00 -0.58 -0.03 0.00 -1.47 0.00 0.00 33.84 31.76 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 -1.29 -1.74 -1.34 7.34 5.02 -1.26 -5.02 118.16 119.88 2kdz n LYS 3 Ca 0.13 1.15 0.18 0.00 -2.02 0.00 0.00 58.31 57.74 2kdz n LYS 3 Cb 0.22 -2.12 -0.05 0.00 -0.02 0.00 0.00 35.03 33.05 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 -3.32 -3.40 0.00 2.13 7.35 -1.26 -5.08 117.46 113.88 2kdz n PHE 4 Ca 0.01 1.73 0.00 0.00 -0.76 0.00 0.00 57.45 58.43 2kdz n PHE 4 Cb 0.39 -3.09 0.00 0.00 0.35 0.00 0.00 39.48 37.13 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 -4.08 0.00 -0.30 -2.13 5.66 -1.26 -4.94 114.28 107.23 2kdz n THR 5 Ca -0.01 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.01 2kdz n THR 5 Cb 0.62 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 69.61 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 1.06 -0.68 1.09 5.08 -1.99 -1.72 114.58 117.42 2kdz h GLU 6 Ca 0.00 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2kdz h GLU 6 Cb 0.00 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 2kdz h GLU 6 CO 0.00 0.70 0.23 0.93 -1.00 0.00 0.00 179.01 179.87 2kdz h GLU 7 N 1.10 1.05 -0.39 2.33 5.08 -2.00 -2.10 114.58 119.65 2kdz h GLU 7 Ca 0.36 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 2kdz h GLU 7 Cb 0.06 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2kdz h GLU 7 CO -0.11 0.90 -0.13 0.93 -1.00 0.00 0.00 179.01 179.60 2kdz h GLU 8 N 0.99 0.69 -0.44 2.33 4.39 -1.74 -1.61 114.58 119.18 2kdz h GLU 8 Ca 0.22 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2kdz h GLU 8 Cb 0.28 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2kdz h GLU 8 CO -0.01 0.80 0.24 0.22 -1.16 0.00 0.00 179.01 179.10 2kdz h ASP 9 N 0.63 0.56 -0.81 1.42 3.58 -1.01 0.15 116.42 120.93 2kdz h ASP 9 Ca 0.11 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.43 2kdz h ASP 9 Cb 0.58 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.45 2kdz h ASP 9 CO 0.04 0.49 0.39 -0.07 -2.88 0.00 0.00 179.24 177.21 2kdz h LEU 10 N 0.58 1.07 -0.75 2.28 3.38 -1.08 -1.86 115.31 118.92 2kdz h LEU 10 Ca 0.16 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2kdz h LEU 10 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2kdz h LEU 10 CO -0.02 0.90 -0.08 0.11 0.09 0.00 0.00 178.44 179.44 2kdz h LYS 11 N 1.17 0.88 0.11 1.13 1.57 -0.79 -3.02 116.57 117.61 2kdz h LYS 11 Ca 0.28 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kdz h LYS 11 Cb 0.12 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2kdz h LYS 11 CO -0.04 0.92 -0.10 1.25 -0.57 0.00 0.00 179.45 180.92 2kdz h LEU 12 N 0.79 -0.26 -1.62 2.94 5.85 0.02 0.32 115.31 123.37 2kdz h LEU 12 Ca 0.14 0.02 0.14 0.00 0.84 0.00 0.00 57.88 59.02 2kdz h LEU 12 Cb 0.58 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 2kdz h LEU 12 CO 0.04 -0.15 0.49 -0.61 -0.34 0.00 0.00 178.44 177.86 2kdz h GLN 13 N -0.22 0.37 0.19 1.25 5.75 -1.32 0.20 115.11 121.33 2kdz h GLN 13 Ca 0.00 -0.02 -0.28 0.00 -0.15 0.00 0.00 58.65 58.20 2kdz h GLN 13 Cb 0.21 -0.08 0.02 0.00 1.07 0.00 0.00 27.48 28.70 2kdz h GLN 13 CO -0.02 0.25 -1.31 1.96 -2.65 0.00 0.00 178.83 177.06 2kdz h GLN 14 N 0.39 0.40 -0.48 1.69 1.08 -1.28 -3.04 115.11 113.86 2kdz h GLN 14 Ca 0.35 -0.68 -0.08 0.00 -1.45 0.00 0.00 58.65 56.79 2kdz h GLN 14 Cb 0.83 0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 28.50 2kdz h GLN 14 CO -0.11 1.33 -0.01 -0.07 -0.95 0.00 0.00 178.83 179.02 2kdz h LEU 15 N -0.09 0.84 -1.21 1.46 4.07 0.37 -1.53 115.31 119.22 2kdz h LEU 15 Ca -0.24 -0.31 -0.06 0.00 0.08 0.00 0.00 57.88 57.34 2kdz h LEU 15 Cb 1.93 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 43.43 2kdz h LEU 15 CO 0.19 0.95 -0.11 0.58 -1.08 0.00 0.00 178.44 178.96 2kdz h VAL 16 N 0.71 1.21 -0.30 1.22 2.07 -0.78 0.25 116.25 120.64 2kdz h VAL 16 Ca 0.14 -0.91 -0.12 0.00 0.82 0.00 0.00 66.70 66.62 2kdz h VAL 16 Cb 0.52 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2kdz h VAL 16 CO 0.03 0.30 -0.31 -0.03 0.02 0.00 0.00 177.57 177.57 2kdz h MET 17 N 0.38 0.63 0.07 1.57 1.85 -1.36 0.31 114.93 118.39 2kdz h MET 17 Ca 0.07 -0.28 -0.10 0.00 -0.61 0.00 0.00 59.70 58.78 2kdz h MET 17 Cb 0.43 -0.02 0.01 0.00 0.43 0.00 0.00 31.60 32.46 2kdz h MET 17 CO 0.02 0.86 -0.45 0.00 -0.40 0.00 0.00 176.91 176.95 2kdz h ARG 18 N 0.54 0.15 0.02 0.39 3.08 -0.62 -3.39 114.38 114.54 2kdz h ARG 18 Ca 0.06 -0.26 -0.30 0.00 0.07 0.00 0.00 59.98 59.56 2kdz h ARG 18 Cb 0.80 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.90 2kdz h ARG 18 CO 0.07 1.12 -1.70 1.88 -1.07 0.00 0.00 179.97 180.27 2kdz h TYR 19 N -0.68 0.06 0.00 3.04 0.05 -0.61 -3.51 116.97 115.33 2kdz h TYR 19 Ca -0.08 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.65 2kdz h TYR 19 Cb 1.34 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.07 2kdz h TYR 19 CO 0.23 1.09 0.00 0.41 -1.05 0.00 0.00 178.16 178.85 2kdz n GLY 20 N 1.59 -1.07 2.08 3.88 0.00 0.11 -4.47 105.19 107.32 2kdz n GLY 20 Ca -0.18 -2.24 -0.21 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.30 5.25 0.00 4.61 0.00 -1.26 -4.26 120.51 124.55 2kdz n ALA 21 Ca 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 53.44 50.88 2kdz n ALA 21 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 -0.93 0.07 -1.43 0.00 4.81 -1.26 -4.90 118.16 114.52 2kdz n LYS 22 Ca 0.53 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.59 2kdz n LYS 22 Cb 1.50 -0.53 -0.03 0.00 0.02 0.00 0.00 35.03 35.98 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 -1.29 8.37 0.13 3.14 -0.08 -1.26 -4.51 116.55 121.05 2kdz n ASP 23 Ca 0.00 -2.69 0.13 0.00 -1.51 0.00 0.00 54.79 50.72 2kdz n ASP 23 Cb 0.03 -1.51 0.47 0.00 2.34 0.00 0.00 41.12 42.45 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 4.76 0.00 -0.11 -0.67 4.06 -1.90 -2.97 115.95 119.12 2kdz h TRP 24 Ca 0.79 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.64 2kdz h TRP 24 Cb 0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.52 2kdz h TRP 24 CO 1.82 0.00 -0.41 -0.84 -3.56 0.00 0.00 178.44 175.45 2kdz h ILE 25 N 0.00 1.31 0.00 1.49 3.07 -1.94 -2.31 117.51 119.13 2kdz h ILE 25 Ca 0.00 -1.51 -0.06 0.00 1.55 0.00 0.00 64.86 64.84 2kdz h ILE 25 Cb 0.51 1.68 -0.01 0.00 -0.27 0.00 0.00 36.82 38.73 2kdz h ILE 25 CO 0.00 0.45 -0.28 -0.09 -1.05 0.00 0.00 178.15 177.18 2kdz h ARG 26 N 0.20 0.00 0.00 0.16 9.65 -1.91 -1.61 114.38 120.87 2kdz h ARG 26 Ca 0.02 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2kdz h ARG 26 Cb 0.81 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.39 2kdz h ARG 26 CO 0.06 0.28 -0.01 0.82 2.80 0.00 0.00 179.97 183.92 2kdz h ILE 27 N 0.00 0.02 0.00 1.20 2.04 -1.56 -2.97 117.51 116.24 2kdz h ILE 27 Ca -0.00 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.86 2kdz h ILE 27 Cb 0.62 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 2kdz h ILE 27 CO 0.04 0.01 0.00 -1.20 0.00 0.00 0.00 178.15 177.00 2kdz n SER 28 N -3.10 0.27 0.21 1.72 7.64 -0.61 -1.36 113.62 118.38 2kdz n SER 28 Ca 0.04 0.56 0.08 0.00 1.01 0.00 0.00 58.87 60.56 2kdz n SER 28 Cb 0.52 -0.62 0.37 0.00 -1.01 0.00 0.00 64.21 63.47 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 -1.55 -2.69 115.11 116.49 2kdz h GLN 29 Ca 0.00 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.37 2kdz h GLN 29 Cb 0.34 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.06 2kdz h GLN 29 CO 0.00 0.28 -2.27 1.28 -0.67 0.00 0.00 178.83 177.45 2kdz n LEU 30 N -3.38 2.34 -4.03 1.46 4.77 -0.83 -4.75 117.00 112.59 2kdz n LEU 30 Ca 0.00 -0.10 -0.33 0.00 -0.03 0.00 0.00 56.01 55.56 2kdz n LEU 30 Cb 0.49 -0.53 -0.12 0.00 -2.33 0.00 0.00 43.42 40.93 2kdz n LEU 30 CO 0.35 0.79 -0.07 -0.04 -1.33 0.00 0.00 177.39 177.08 2kdz s MET 31 N -2.45 2.26 -0.03 3.23 -1.94 -0.46 -4.87 119.30 115.04 2kdz s MET 31 Ca -0.26 -2.55 0.22 0.00 -1.71 0.00 0.00 55.69 51.39 2kdz s MET 31 Cb 0.07 -3.53 -0.31 0.00 2.01 0.00 0.00 34.83 33.07 2kdz s MET 31 CO 0.56 -1.14 0.49 1.51 -0.01 0.00 0.00 175.02 176.44 2kdz n ILE 32 N 3.35 0.14 0.75 2.53 0.13 -1.02 -4.11 119.36 121.12 2kdz n ILE 32 Ca 0.06 -0.53 0.04 0.00 -1.10 0.00 0.00 62.75 61.22 2kdz n ILE 32 Cb 0.35 -0.06 0.14 0.00 -0.84 0.00 0.00 39.64 39.24 2kdz n ILE 32 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 2kdz n THR 33 N -2.32 0.67 -4.33 9.51 -2.24 -1.26 -4.80 114.28 109.51 2kdz n THR 33 Ca -0.06 -0.46 -0.18 0.00 -2.27 0.00 0.00 64.05 61.09 2kdz n THR 33 Cb 0.61 -0.04 -0.15 0.00 -2.10 0.00 0.00 70.33 68.65 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 -1.64 0.68 -0.16 -0.78 3.52 -1.26 -5.08 118.95 114.23 2kdz s ARG 34 Ca 0.20 -0.30 -0.29 0.00 -0.13 0.00 0.00 55.73 55.22 2kdz s ARG 34 Cb 0.13 -0.66 -0.05 0.00 -1.56 0.00 0.00 34.95 32.80 2kdz s ARG 34 CO 0.11 0.18 2.01 1.21 -0.81 0.00 0.00 175.30 177.99 2kdz s ASN 35 N -0.18 5.92 0.35 -2.12 3.84 -1.26 -4.86 114.94 116.62 2kdz s ASN 35 Ca 0.03 2.01 0.07 0.00 0.21 0.00 0.00 52.86 55.17 2kdz s ASN 35 Cb -0.03 -2.52 0.75 0.00 -0.55 0.00 0.00 41.25 38.89 2kdz s ASN 35 CO -0.00 -1.57 1.91 1.55 -2.79 0.00 0.00 177.10 176.19 2kdz h PRO 36 N 12.93 0.74 0.00 0.43 0.13 -1.90 0.45 132.00 144.78 2kdz h PRO 36 Ca -0.41 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 2kdz h PRO 36 Cb 1.22 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2kdz h PRO 36 CO 0.97 0.49 -0.28 -0.09 -0.23 0.00 0.00 178.00 178.86 2kdz h ARG 37 N 0.77 0.00 0.00 0.86 2.43 -1.93 -1.68 114.38 114.83 2kdz h ARG 37 Ca 0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2kdz h ARG 37 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2kdz h ARG 37 CO -0.16 0.28 -0.08 1.96 -1.51 0.00 0.00 179.97 180.46 2kdz h GLN 38 N 0.00 0.00 -0.02 0.20 1.08 -1.30 -2.81 115.11 112.25 2kdz h GLN 38 Ca -0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 2kdz h GLN 38 Cb 0.56 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 2kdz h GLN 38 CO 0.04 0.00 -0.49 0.00 -0.95 0.00 0.00 178.83 177.43 2kdz h ARG 40 N 0.05 0.47 0.00 0.00 2.43 -1.44 -0.57 114.38 115.32 2kdz h ARG 40 Ca -0.00 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 2kdz h ARG 40 Cb 0.88 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 2kdz h ARG 40 CO 0.07 0.85 0.00 -1.91 -1.51 0.00 0.00 179.97 177.46 2kdz n GLU 41 N -3.98 0.12 -0.11 0.20 2.13 -0.74 -1.09 120.64 117.17 2kdz n GLU 41 Ca -0.02 0.37 -0.19 0.00 0.66 0.00 0.00 57.16 57.98 2kdz n GLU 41 Cb 0.55 -1.73 -0.07 0.00 0.27 0.00 0.00 31.44 30.46 2kdz n GLU 41 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2kdz n ARG 42 N -1.95 0.55 -0.28 5.31 3.00 -0.77 -3.62 116.66 118.90 2kdz n ARG 42 Ca 0.02 0.36 0.01 0.00 -0.00 0.00 0.00 57.85 58.25 2kdz n ARG 42 Cb 0.19 -1.57 0.14 0.00 0.00 0.00 0.00 32.46 31.23 2kdz n ARG 42 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.63 179.98 2kdz h TRP 43 N -1.00 0.83 -0.00 -0.14 2.91 -1.06 0.10 115.95 117.60 2kdz h TRP 43 Ca -0.34 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.71 2kdz h TRP 43 Cb 1.22 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.61 2kdz h TRP 43 CO -0.15 0.37 -0.04 -1.71 -1.03 0.00 0.00 178.44 175.87 2kdz n ASN 44 N -4.73 0.14 0.00 2.65 5.15 -0.25 -1.32 115.26 116.90 2kdz n ASN 44 Ca 0.12 -0.23 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 2kdz n ASN 44 Cb 0.23 -0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 2kdz n ASN 44 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2kdz n ASN 45 N -1.21 1.61 0.04 1.20 3.02 -0.30 -4.20 115.26 115.42 2kdz n ASN 45 Ca 0.14 -1.73 0.00 0.00 -0.03 0.00 0.00 54.58 52.95 2kdz n ASN 45 Cb 0.26 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 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 -0.37 -0.66 0.46 3.10 9.36 0.21 -4.89 117.16 124.37 2kdz n TYR 46 Ca 0.00 0.12 0.09 0.00 3.32 0.00 0.00 57.90 61.43 2kdz n TYR 46 Cb 0.24 0.40 -0.12 0.00 -0.63 0.00 0.00 39.34 39.23 2kdz n TYR 46 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52 2kdz n ILE 47 N -2.91 0.00 -0.06 2.97 -5.35 -1.13 -4.61 119.36 108.27 2kdz n ILE 47 Ca 0.00 -0.23 -0.06 0.00 -0.27 0.00 0.00 62.75 62.18 2kdz n ILE 47 Cb 0.08 0.58 -0.05 0.00 -1.74 0.00 0.00 39.64 38.51 2kdz n ILE 47 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 2kdz h ASN 48 N 0.00 0.00 -3.69 7.28 -1.24 -1.46 -3.49 115.58 112.99 2kdz h ASN 48 Ca 0.00 -0.33 -0.07 0.00 0.71 0.00 0.00 56.30 56.61 2kdz h ASN 48 Cb 0.61 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.68 2kdz h ASN 48 CO 0.00 0.74 0.02 -0.81 -1.29 0.00 0.00 177.43 176.09 2kdz n PRO 49 N -4.69 0.55 -3.22 6.67 -0.04 -1.26 -5.06 135.00 127.96 2kdz n PRO 49 Ca -0.06 -0.43 -0.25 0.00 -0.04 0.00 0.00 63.50 62.72 2kdz n PRO 49 Cb 0.22 -0.10 -0.06 0.00 -0.04 0.00 0.00 33.50 33.52 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 -2.98 3.44 -1.83 0.55 0.00 -1.26 -4.82 120.51 113.61 2kdz n ALA 50 Ca -0.03 -4.18 -0.41 0.00 0.00 0.00 0.00 53.44 48.83 2kdz n ALA 50 Cb 0.09 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 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 0.67 5.23 0.00 0.00 -0.00 -1.26 -4.81 117.00 116.82 2kdz n LEU 51 Ca 0.27 -3.65 0.00 0.00 -0.00 0.00 0.00 56.01 52.63 2kdz n LEU 51 Cb 0.48 -1.56 0.00 0.00 -0.00 0.00 0.00 43.42 42.34 2kdz n LEU 51 CO 0.30 0.13 0.00 0.54 -0.00 0.00 0.00 177.39 178.36 2kdz n ARG 52 N 7.15 0.52 -4.09 1.47 1.74 -1.26 -4.96 116.66 117.23 2kdz n ARG 52 Ca 0.50 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 57.19 2kdz n ARG 52 Cb 0.42 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.85 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 -1.92 -0.95 0.55 -2.24 -1.26 -4.62 114.28 103.83 2kdz n THR 53 Ca 0.00 -0.51 0.12 0.00 -2.27 0.00 0.00 64.05 61.39 2kdz n THR 53 Cb 0.00 -1.67 -0.06 0.00 -2.10 0.00 0.00 70.33 66.50 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 -2.05 -5.41 -3.46 3.42 9.92 -1.26 -4.97 116.55 112.73 2kdz n ASP 54 Ca -0.16 0.84 0.00 0.00 -0.53 0.00 0.00 54.79 54.94 2kdz n ASP 54 Cb 0.54 -3.19 0.00 0.00 -0.64 0.00 0.00 41.12 37.84 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 -3.61 1.23 -1.92 -0.24 -0.04 -1.26 -5.04 135.00 124.12 2kdz n PRO 55 Ca -0.05 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.12 2kdz n PRO 55 Cb 0.45 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.97 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 3.15 0.45 0.54 1.48 -1.26 -5.07 118.94 118.24 2kdz s TRP 56 Ca 0.00 0.89 -0.04 0.00 -1.06 0.00 0.00 56.10 55.90 2kdz s TRP 56 Cb 0.00 -3.24 -0.03 0.00 -1.16 0.00 0.00 33.47 29.04 2kdz s TRP 56 CO 0.00 -1.43 0.73 -1.12 -4.06 0.00 0.00 176.95 171.07 2kdz s SER 57 N -4.45 6.22 0.55 -2.66 0.01 -1.26 -4.89 113.70 107.22 2kdz s SER 57 Ca 0.60 0.77 0.27 0.00 1.31 0.00 0.00 55.95 58.90 2kdz s SER 57 Cb -0.11 -2.13 1.46 0.00 0.21 0.00 0.00 66.02 65.45 2kdz s SER 57 CO 0.50 -0.54 1.98 -0.65 0.41 0.00 0.00 173.24 174.94 2kdz h PRO 58 N 0.34 0.00 -0.49 12.44 0.11 -1.98 0.65 132.00 143.08 2kdz h PRO 58 Ca -0.48 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 2kdz h PRO 58 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2kdz h PRO 58 CO 0.61 0.00 -0.21 0.93 -0.21 0.00 0.00 178.00 179.12 2kdz h GLU 59 N 0.00 1.01 -0.02 1.05 3.07 -1.99 -0.63 114.58 117.07 2kdz h GLU 59 Ca 0.24 -0.43 -0.21 0.00 -0.50 0.00 0.00 59.36 58.46 2kdz h GLU 59 Cb 1.04 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.91 2kdz h GLU 59 CO -0.00 1.11 -0.87 0.93 -1.40 0.00 0.00 179.01 178.77 2kdz h GLU 60 N 0.87 0.34 -0.66 2.33 5.08 -1.39 -2.18 114.58 118.96 2kdz h GLU 60 Ca 0.11 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 2kdz h GLU 60 Cb 0.80 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 2kdz h GLU 60 CO 0.07 1.03 0.33 0.22 -1.00 0.00 0.00 179.01 179.66 2kdz h ASP 61 N 0.20 0.86 -0.20 1.42 3.58 -0.74 0.51 116.42 122.04 2kdz h ASP 61 Ca -0.06 -0.12 -0.18 0.00 0.42 0.00 0.00 57.03 57.09 2kdz h ASP 61 Cb 1.49 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 42.32 2kdz h ASP 61 CO 0.15 0.73 -0.56 0.24 -2.88 0.00 0.00 179.24 176.92 2kdz h MET 62 N 0.91 0.80 -0.31 0.28 2.86 -1.10 -2.15 114.93 116.22 2kdz h MET 62 Ca 0.23 -0.52 -0.15 0.00 -2.06 0.00 0.00 59.70 57.21 2kdz h MET 62 Cb 0.09 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2kdz h MET 62 CO -0.03 1.15 -0.40 1.25 1.06 0.00 0.00 176.91 179.93 2kdz h LEU 63 N 0.61 0.79 -0.73 1.22 5.85 -1.12 -3.04 115.31 118.89 2kdz h LEU 63 Ca 0.01 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 2kdz h LEU 63 Cb 1.16 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 2kdz h LEU 63 CO 0.12 1.10 0.42 0.25 -0.34 0.00 0.00 178.44 179.98 2kdz h LEU 64 N 0.61 0.90 -0.97 2.25 5.85 0.11 -1.33 115.31 122.73 2kdz h LEU 64 Ca 0.05 -0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.80 2kdz h LEU 64 Cb 0.95 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.67 2kdz h LEU 64 CO 0.09 0.72 0.60 -0.78 -0.34 0.00 0.00 178.44 178.73 2kdz h ASP 65 N 1.00 0.89 0.02 1.25 3.58 -1.27 0.53 116.42 122.41 2kdz h ASP 65 Ca 0.26 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 2kdz h ASP 65 Cb 0.01 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.93 2kdz h ASP 65 CO -0.04 0.49 -0.01 -0.61 -2.88 0.00 0.00 179.24 176.18 2kdz h GLN 66 N 0.97 -0.02 0.00 0.28 4.15 -1.39 -2.52 115.11 116.58 2kdz h GLN 66 Ca 0.47 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.86 2kdz h GLN 66 Cb 0.44 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.13 2kdz h GLN 66 CO -0.26 0.50 -0.14 0.87 -1.93 0.00 0.00 178.83 177.87 2kdz h LYS 67 N -0.55 0.00 0.00 1.69 1.79 -0.74 -1.80 116.57 116.97 2kdz h LYS 67 Ca -0.00 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 2kdz h LYS 67 Cb 0.53 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.15 2kdz h LYS 67 CO 0.00 0.14 -0.79 -0.92 -1.08 0.00 0.00 179.45 176.80 2kdz h TYR 68 N 0.00 0.00 0.00 -1.35 3.20 0.09 0.25 116.97 119.16 2kdz h TYR 68 Ca -0.00 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 2kdz h TYR 68 Cb 0.40 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 2kdz h TYR 68 CO 0.00 0.79 -0.57 0.00 -1.64 0.00 0.00 178.16 176.74 2kdz h ALA 69 N 1.21 0.69 0.06 1.82 0.00 -0.89 -0.75 119.26 121.39 2kdz h ALA 69 Ca -0.01 -0.46 -0.35 0.00 0.00 0.00 0.00 54.91 54.09 2kdz h ALA 69 Cb 1.44 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2kdz h ALA 69 CO 0.10 0.61 -1.97 0.39 0.00 0.00 0.00 179.25 178.38 2kdz n GLU 70 N -3.18 0.68 -0.03 0.00 -0.58 -0.83 -4.54 120.64 112.16 2kdz n GLU 70 Ca 0.01 0.31 -0.14 0.00 -0.42 0.00 0.00 57.16 56.93 2kdz n GLU 70 Cb 0.73 -1.66 -0.14 0.00 -0.57 0.00 0.00 31.44 29.79 2kdz n GLU 70 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2kdz n TYR 71 N -3.73 0.86 0.00 -0.32 4.02 0.07 -5.10 117.16 112.96 2kdz n TYR 71 Ca -0.37 0.25 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 2kdz n TYR 71 Cb 0.94 -1.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 2kdz n TYR 71 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2kdz n GLY 72 N 1.78 -1.70 1.26 2.72 0.00 -0.29 -4.47 105.19 104.48 2kdz n GLY 72 Ca -0.26 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 0.81 -1.84 1.61 -0.04 -1.26 -4.60 135.00 129.67 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 -1.10 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 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 1.03 4.04 -0.26 0.54 5.02 -1.26 -4.74 118.16 122.53 2kdz n LYS 74 Ca 0.00 -3.06 0.31 0.00 -2.02 0.00 0.00 58.31 53.54 2kdz n LYS 74 Cb 0.40 -2.78 0.71 0.00 -0.02 0.00 0.00 35.03 33.34 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 5.02 0.09 -0.75 2.13 4.06 -1.97 0.21 115.95 124.74 2kdz h TRP 75 Ca 0.69 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.69 2kdz h TRP 75 Cb 0.38 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 28.47 2kdz h TRP 75 CO 1.61 0.01 0.49 -0.97 -3.56 0.00 0.00 178.44 176.03 2kdz h ASN 76 N 0.05 0.75 0.45 -3.49 -0.73 -1.96 0.19 115.58 110.84 2kdz h ASN 76 Ca 0.51 -0.00 -0.31 0.00 1.87 0.00 0.00 56.30 58.37 2kdz h ASN 76 Cb 1.92 -0.16 0.01 0.00 0.27 0.00 0.00 38.32 40.35 2kdz h ASN 76 CO -0.04 0.50 -1.44 0.11 -0.37 0.00 0.00 177.43 176.18 2kdz h LYS 77 N 0.86 0.33 -0.47 6.67 6.56 -1.02 -3.34 116.57 126.17 2kdz h LYS 77 Ca 0.31 -0.57 -0.01 0.00 -1.06 0.00 0.00 60.65 59.33 2kdz h LYS 77 Cb 0.15 0.21 -0.02 0.00 -0.57 0.00 0.00 32.23 32.00 2kdz h LYS 77 CO -0.10 1.24 0.27 0.82 -2.06 0.00 0.00 179.45 179.62 2kdz h ILE 78 N 0.09 1.16 0.00 1.86 1.08 -0.51 -2.07 117.51 119.11 2kdz h ILE 78 Ca -0.22 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 63.88 2kdz h ILE 78 Cb 2.04 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 36.35 2kdz h ILE 78 CO 0.20 0.16 0.00 0.77 -0.69 0.00 0.00 178.15 178.59 2kdz h SER 79 N 0.62 0.00 1.59 1.72 4.64 -0.79 -0.28 113.55 121.05 2kdz h SER 79 Ca 0.17 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 2kdz h SER 79 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2kdz h SER 79 CO -0.03 0.00 -0.28 0.11 -0.87 0.00 0.00 176.83 175.76 2kdz h LYS 80 N 0.00 0.00 0.00 4.77 1.57 -1.49 -3.12 116.57 118.31 2kdz h LYS 80 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2kdz h LYS 80 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2kdz h LYS 80 CO 0.00 0.28 -0.66 0.74 -0.57 0.00 0.00 179.45 179.23 2kdz h PHE 81 N 0.00 0.00 -3.55 -1.35 0.04 -1.06 -3.41 116.94 107.60 2kdz h PHE 81 Ca -0.00 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.10 2kdz h PHE 81 Cb 1.15 0.00 -0.39 0.00 2.20 0.00 0.00 35.95 38.91 2kdz h PHE 81 CO 0.00 0.02 -0.63 -0.51 -0.60 0.00 0.00 178.31 176.59 2kdz s LEU 82 N -5.68 4.76 -1.16 1.54 2.01 -1.13 -5.03 118.68 113.99 2kdz s LEU 82 Ca 0.02 -2.45 -0.23 0.00 0.01 0.00 0.00 54.13 51.48 2kdz s LEU 82 Cb 0.08 -1.69 -0.10 0.00 0.01 0.00 0.00 46.19 44.49 2kdz s LEU 82 CO 0.75 -0.36 1.96 -0.75 1.01 0.00 0.00 176.35 178.95 2kdz s LYS 83 N 0.50 2.35 0.00 1.70 2.20 -1.26 -2.97 119.74 122.26 2kdz s LYS 83 Ca 0.13 -1.05 0.00 0.00 -0.36 0.00 0.00 55.97 54.69 2kdz s LYS 83 Cb -0.22 -5.21 0.00 0.00 -1.51 0.00 0.00 37.83 30.90 2kdz s LYS 83 CO -0.05 -4.13 0.00 -1.71 -0.36 0.00 0.00 175.35 169.11 2kdz n ASN 84 N 14.95 0.00 -4.78 1.43 4.05 -1.26 -5.10 115.26 124.55 2kdz n ASN 84 Ca 0.44 0.00 -0.39 0.00 0.45 0.00 0.00 54.58 55.08 2kdz n ASN 84 Cb 0.47 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 41.42 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 4.52 0.52 1.20 1.81 -1.16 -4.12 118.95 121.72 2kdz s ARG 85 Ca 0.00 1.11 0.06 0.00 -1.72 0.00 0.00 55.73 55.18 2kdz s ARG 85 Cb 0.00 -3.27 0.02 0.00 -0.45 0.00 0.00 34.95 31.25 2kdz s ARG 85 CO 0.00 0.54 0.39 -1.54 -0.68 0.00 0.00 175.30 174.00 2kdz s SER 86 N -0.99 4.67 0.00 0.23 1.04 -1.26 -4.59 113.70 112.81 2kdz s SER 86 Ca 0.35 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.62 2kdz s SER 86 Cb -0.22 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.10 2kdz s SER 86 CO 0.25 -1.00 0.92 -0.90 0.98 0.00 0.00 173.24 173.49 2kdz n ASP 87 N -1.70 0.00 0.19 7.02 5.68 -1.26 -0.18 116.55 126.30 2kdz n ASP 87 Ca -0.01 0.92 0.18 0.00 -0.50 0.00 0.00 54.79 55.39 2kdz n ASP 87 Cb 0.64 -0.42 0.81 0.00 -1.14 0.00 0.00 41.12 41.01 2kdz n ASP 87 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 2kdz h ASN 88 N 0.00 0.00 0.02 -1.12 -1.24 -1.97 0.68 115.58 111.96 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 -0.01 -1.13 -1.29 0.00 0.00 177.43 175.00 2kdz h ASN 89 N 0.00 -0.03 -0.28 1.15 -0.73 -1.85 -2.97 115.58 110.87 2kdz h ASN 89 Ca 0.11 -0.72 -0.06 0.00 1.87 0.00 0.00 56.30 57.50 2kdz h ASN 89 Cb 0.72 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.31 2kdz h ASN 89 CO -0.00 0.78 -0.06 0.40 -0.37 0.00 0.00 177.43 178.17 2kdz h ILE 90 N -0.90 1.28 -0.94 2.57 2.04 0.16 -0.51 117.51 121.21 2kdz h ILE 90 Ca -0.00 -1.08 0.03 0.00 1.00 0.00 0.00 64.86 64.81 2kdz h ILE 90 Cb 0.74 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 38.18 2kdz h ILE 90 CO 0.01 0.34 0.62 0.08 0.00 0.00 0.00 178.15 179.20 2kdz h ARG 91 N 0.30 1.17 -0.16 2.37 -0.00 -1.05 0.57 114.38 117.59 2kdz h ARG 91 Ca 0.07 -0.07 -0.08 0.00 -0.00 0.00 0.00 59.98 59.90 2kdz h ARG 91 Cb 0.54 -0.26 -0.00 0.00 -0.00 0.00 0.00 29.97 30.24 2kdz h ARG 91 CO 0.03 0.78 -0.21 -0.91 -0.00 0.00 0.00 179.97 179.66 2kdz h ASN 92 N 1.21 0.45 -0.57 0.08 4.21 -1.42 -3.00 115.58 116.53 2kdz h ASN 92 Ca 0.37 -0.51 -0.05 0.00 1.21 0.00 0.00 56.30 57.32 2kdz h ASN 92 Cb -0.02 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.02 2kdz h ASN 92 CO -0.11 0.87 0.17 -0.09 -1.29 0.00 0.00 177.43 176.99 2kdz h ARG 93 N 0.05 0.90 -0.49 0.81 9.65 -0.46 -1.93 114.38 122.90 2kdz h ARG 93 Ca 0.02 -0.20 0.02 0.00 -1.10 0.00 0.00 59.98 58.72 2kdz h ARG 93 Cb 0.76 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.18 2kdz h ARG 93 CO 0.05 0.81 0.29 2.35 2.80 0.00 0.00 179.97 186.27 2kdz h TRP 94 N 0.81 0.55 -0.55 2.20 2.91 0.09 0.52 115.95 122.49 2kdz h TRP 94 Ca 0.18 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.17 2kdz h TRP 94 Cb 0.29 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 28.74 2kdz h TRP 94 CO 0.02 0.32 0.14 1.98 -1.03 0.00 0.00 178.44 179.86 2kdz h MET 95 N 0.59 0.83 0.01 2.65 4.05 -1.40 0.53 114.93 122.20 2kdz h MET 95 Ca 0.20 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2kdz h MET 95 Cb 0.01 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.69 2kdz h MET 95 CO -0.09 0.75 -0.01 1.98 0.23 0.00 0.00 176.91 179.77 2kdz h MET 96 N 0.80 -0.01 -0.14 0.39 1.85 -0.53 -3.14 114.93 114.15 2kdz h MET 96 Ca 0.18 0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 59.17 2kdz h MET 96 Cb 0.29 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.31 2kdz h MET 96 CO -0.00 0.56 -0.33 0.97 -0.40 0.00 0.00 176.91 177.70 2kdz h ILE 97 N -0.60 1.28 -0.36 1.77 6.09 0.10 -2.70 117.51 123.08 2kdz h ILE 97 Ca -0.00 -1.34 -0.02 0.00 -1.37 0.00 0.00 64.86 62.12 2kdz h ILE 97 Cb 0.58 1.55 -0.02 0.00 0.47 0.00 0.00 36.82 39.40 2kdz h ILE 97 CO 0.00 0.41 0.12 0.00 -3.07 0.00 0.00 178.15 175.61 2kdz h ALA 98 N 1.42 1.54 0.00 0.18 0.00 -0.95 0.36 119.26 121.81 2kdz h ALA 98 Ca 0.03 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2kdz h ALA 98 Cb 0.71 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2kdz h ALA 98 CO 0.05 0.35 -0.34 -0.09 0.00 0.00 0.00 179.25 179.22 2kdz h ARG 99 N 0.51 0.00 0.11 0.00 2.43 -1.43 0.49 114.38 116.49 2kdz h ARG 99 Ca 0.12 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.99 2kdz h ARG 99 Cb 0.14 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2kdz h ARG 99 CO -0.01 0.34 -1.52 1.25 -1.51 0.00 0.00 179.97 178.52 2kdz h HIS 100 N 0.00 0.43 0.00 2.20 2.76 -1.18 -3.33 115.15 116.04 2kdz h HIS 100 Ca -0.00 -0.32 -0.14 0.00 -2.20 0.00 0.00 60.37 57.71 2kdz h HIS 100 Cb 0.68 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.60 2kdz h HIS 100 CO 0.00 1.37 -0.65 -0.09 -1.30 0.00 0.00 177.93 177.26 2kdz h ARG 101 N 0.06 0.00 0.00 5.26 9.65 -0.78 -3.01 114.38 125.56 2kdz h ARG 101 Ca -0.24 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.64 2kdz h ARG 101 Cb 2.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.59 2kdz h ARG 101 CO 0.16 0.65 0.00 0.00 2.80 0.00 0.00 179.97 183.58 2kdz n ALA 102 N -2.36 2.48 -0.79 2.80 0.00 0.14 -4.99 120.51 117.79 2kdz n ALA 102 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2kdz n ALA 102 Cb 0.68 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.98 0.00 -3.15 0.00 4.76 -1.14 -4.83 118.16 112.82 2kdz n LYS 103 Ca 0.19 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.67 2kdz n LYS 103 Cb 0.09 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.27 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 -1.66 0.54 2.13 -3.43 -1.26 -4.87 115.29 106.74 2kdz s HIS 104 Ca 0.00 1.18 -0.21 0.00 -0.80 0.00 0.00 55.06 55.23 2kdz s HIS 104 Cb 0.00 0.36 -0.05 0.00 -1.43 0.00 0.00 32.58 31.46 2kdz s HIS 104 CO 0.00 -0.95 1.23 -0.65 -2.00 0.00 0.00 174.74 172.36 2kdz s GLN 105 N 2.85 3.28 0.31 -0.38 -0.21 -1.26 -4.90 119.66 119.36 2kdz s GLN 105 Ca 0.14 1.90 0.00 0.00 0.02 0.00 0.00 55.36 57.42 2kdz s GLN 105 Cb -0.11 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.74 2kdz s GLN 105 CO -0.24 -0.97 0.00 1.17 -2.12 0.00 0.00 175.29 173.13 2kdz n LYS 106 N -1.08 0.00 0.00 2.91 4.81 -1.26 -5.33 118.16 118.20 2kdz n LYS 106 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2kdz n LYS 106 Cb 0.48 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.53 2kdz n LYS 106 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02