#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkl n TYR 2 N 0.00 0.00 -0.18 1.61 9.36 -1.26 -4.56 117.16 122.13 1nkl n TYR 2 Ca 0.00 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.39 1nkl n TYR 2 Cb 0.00 0.00 0.29 0.00 -0.63 0.00 0.00 39.34 39.00 1nkl n TYR 2 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1nkl n PHE 3 N 0.00 0.47 -0.16 2.98 3.01 -1.26 -0.75 117.46 121.75 1nkl n PHE 3 Ca 0.00 0.48 -0.07 0.00 1.01 0.00 0.00 57.45 58.86 1nkl n PHE 3 Cb 0.00 -0.90 0.01 0.00 -0.01 0.00 0.00 39.48 38.59 1nkl n PHE 3 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1nkl h GLU 5 N 0.64 -0.45 0.11 0.00 4.22 -1.33 -0.68 114.58 117.09 1nkl h GLU 5 Ca 0.17 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.66 1nkl h GLU 5 Cb -0.03 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1nkl h GLU 5 CO -0.03 -0.30 -0.22 0.77 -2.18 0.00 0.00 179.01 177.05 1nkl h SER 6 N -0.46 -0.61 -0.35 1.04 0.02 -1.39 0.26 113.55 112.05 1nkl h SER 6 Ca -0.03 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1nkl h SER 6 Cb 0.39 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 1nkl h SER 6 CO 0.02 -0.30 0.19 0.00 -1.14 0.00 0.00 176.83 175.59 1nkl h ARG 8 N 0.39 0.10 -0.24 0.00 1.12 -0.64 0.52 114.38 115.64 1nkl h ARG 8 Ca 0.14 -0.01 0.01 0.00 -1.11 0.00 0.00 59.98 59.01 1nkl h ARG 8 Cb 0.03 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 29.95 1nkl h ARG 8 CO -0.08 0.07 0.14 -0.22 -3.11 0.00 0.00 179.97 176.76 1nkl h LYS 9 N 0.11 0.28 0.67 0.20 3.64 -0.62 -0.16 116.57 120.68 1nkl h LYS 9 Ca 0.04 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1nkl h LYS 9 Cb 0.01 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1nkl h LYS 9 CO -0.03 0.18 -0.50 0.82 -2.27 0.00 0.00 179.45 177.65 1nkl h ILE 10 N 0.29 0.00 -0.28 2.00 2.04 -0.57 -1.80 117.51 119.19 1nkl h ILE 10 Ca 0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.97 1nkl h ILE 10 Cb -0.01 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.05 1nkl h ILE 10 CO -0.04 0.00 0.13 0.40 0.00 0.00 0.00 178.15 178.64 1nkl h ILE 11 N -1.13 0.98 -0.85 -0.67 2.04 -0.86 -2.45 117.51 114.57 1nkl h ILE 11 Ca -0.09 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1nkl h ILE 11 Cb 0.93 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1nkl h ILE 11 CO 0.03 0.05 0.49 1.56 0.00 0.00 0.00 178.15 180.28 1nkl h GLN 12 N 0.29 1.17 -0.06 2.37 1.08 -0.95 0.12 115.11 119.13 1nkl h GLN 12 Ca 0.12 -0.12 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 1nkl h GLN 12 Cb 0.04 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 1nkl h GLN 12 CO -0.08 0.84 -0.21 -0.22 -0.95 0.00 0.00 178.83 178.21 1nkl h LYS 13 N 1.17 0.09 0.05 1.46 1.63 -1.15 -0.92 116.57 118.91 1nkl h LYS 13 Ca 0.30 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1nkl h LYS 13 Cb -0.01 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1nkl h LYS 13 CO -0.05 0.30 -0.02 1.25 -3.45 0.00 0.00 179.45 177.47 1nkl h LEU 14 N 0.08 -0.05 -0.01 5.20 6.46 -0.70 -1.18 115.31 125.10 1nkl h LEU 14 Ca 0.02 -0.44 0.03 0.00 -0.12 0.00 0.00 57.88 57.36 1nkl h LEU 14 Cb 0.42 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.32 1nkl h LEU 14 CO 0.03 0.43 -0.21 -0.08 -0.62 0.00 0.00 178.44 177.98 1nkl h GLU 15 N -0.55 -0.32 -0.59 1.25 4.81 -0.69 0.15 114.58 118.64 1nkl h GLU 15 Ca -0.01 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1nkl h GLU 15 Cb 0.49 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.89 1nkl h GLU 15 CO 0.01 -0.21 0.28 0.22 -0.73 0.00 0.00 179.01 178.58 1nkl h ASP 16 N -0.33 0.37 0.67 1.04 1.82 -1.23 -1.51 116.42 117.25 1nkl h ASP 16 Ca 0.06 0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.72 1nkl h ASP 16 Cb 0.42 -0.02 0.01 0.00 0.68 0.00 0.00 39.33 40.42 1nkl h ASP 16 CO -0.21 0.24 -0.32 0.24 -1.61 0.00 0.00 179.24 177.58 1nkl h MET 17 N 0.52 -0.87 -0.14 0.28 2.86 -0.48 -3.25 114.93 113.85 1nkl h MET 17 Ca 0.28 0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.95 1nkl h MET 17 Cb 0.24 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1nkl h MET 17 CO -0.22 -0.55 -0.02 -0.24 1.06 0.00 0.00 176.91 176.94 1nkl h VAL 18 N -1.18 1.10 -0.03 -2.22 3.04 -0.73 -3.49 116.25 112.73 1nkl h VAL 18 Ca -0.09 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1nkl h VAL 18 Cb 0.71 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1nkl h VAL 18 CO 0.15 0.13 0.00 0.61 -1.01 0.00 0.00 177.57 177.45 1nkl n GLY 19 N -1.22 -1.74 3.75 3.17 0.00 -0.57 -4.82 105.19 103.77 1nkl n GLY 19 Ca -0.01 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 1nkl n GLY 19 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nkl s PRO 20 N 0.00 1.60 -0.01 1.61 0.04 -1.26 -4.43 135.00 132.55 1nkl s PRO 20 Ca 0.00 0.75 -0.00 0.00 0.04 0.00 0.00 61.00 61.79 1nkl s PRO 20 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1nkl s PRO 20 CO 0.00 -1.98 0.00 1.04 0.04 0.00 0.00 177.00 176.10 1nkl n GLN 21 N -3.70 -0.40 -0.55 4.56 3.00 -1.26 -4.94 117.38 114.09 1nkl n GLN 21 Ca 0.07 -0.19 -0.09 0.00 -0.01 0.00 0.00 57.00 56.78 1nkl n GLN 21 Cb 0.56 0.33 0.07 0.00 0.00 0.00 0.00 30.24 31.19 1nkl n GLN 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1nkl n PRO 22 N -0.68 -0.60 -4.08 -1.09 -0.04 -1.26 -5.11 135.00 122.14 1nkl n PRO 22 Ca -0.00 -0.63 -0.09 0.00 -0.04 0.00 0.00 63.50 62.73 1nkl n PRO 22 Cb 0.00 -0.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.92 1nkl n PRO 22 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1nkl s ASN 23 N -2.51 0.65 0.35 3.54 4.22 -1.26 -4.92 114.94 115.01 1nkl s ASN 23 Ca 0.23 -0.81 0.15 0.00 -2.14 0.00 0.00 52.86 50.30 1nkl s ASN 23 Cb -0.01 0.12 1.14 0.00 1.28 0.00 0.00 41.25 43.79 1nkl s ASN 23 CO 0.17 -0.43 1.60 -0.08 -2.04 0.00 0.00 177.10 176.31 1nkl h GLU 24 N 3.69 0.07 0.25 3.55 4.57 -1.99 -0.47 114.58 124.26 1nkl h GLU 24 Ca -0.34 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.82 1nkl h GLU 24 Cb 1.17 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1nkl h GLU 24 CO 0.55 0.04 -0.12 0.22 -1.18 0.00 0.00 179.01 178.53 1nkl h ASP 25 N 0.07 -0.28 -0.82 1.04 3.58 -1.99 -2.25 116.42 115.77 1nkl h ASP 25 Ca 0.76 -0.20 0.08 0.00 0.42 0.00 0.00 57.03 58.09 1nkl h ASP 25 Cb 1.87 0.07 -0.06 0.00 1.72 0.00 0.00 39.33 42.94 1nkl h ASP 25 CO -0.77 0.22 0.53 0.74 -2.88 0.00 0.00 179.24 177.08 1nkl h THR 26 N -0.97 0.99 -0.23 2.25 2.02 -1.67 0.22 112.91 115.52 1nkl h THR 26 Ca -0.03 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 1nkl h THR 26 Cb 0.47 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1nkl h THR 26 CO 0.06 0.15 -0.01 0.58 0.37 0.00 0.00 175.52 176.66 1nkl h VAL 27 N 0.82 1.26 -0.09 3.16 2.07 -1.22 0.12 116.25 122.37 1nkl h VAL 27 Ca 0.37 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1nkl h VAL 27 Cb 0.36 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1nkl h VAL 27 CO -0.14 0.29 -0.13 0.74 0.02 0.00 0.00 177.57 178.34 1nkl h THR 28 N 0.18 0.64 -0.03 2.57 2.02 -0.05 0.88 112.91 119.13 1nkl h THR 28 Ca 0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1nkl h THR 28 Cb 0.43 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1nkl h THR 28 CO 0.01 0.00 -0.02 0.06 0.37 0.00 0.00 175.52 175.94 1nkl h GLN 29 N -0.18 0.07 -0.32 6.66 3.07 -0.87 -0.91 115.11 122.62 1nkl h GLN 29 Ca 0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 58.65 58.78 1nkl h GLN 29 Cb 0.29 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.83 1nkl h GLN 29 CO -0.20 0.50 0.18 0.00 0.09 0.00 0.00 178.83 179.40 1nkl h ALA 30 N 0.57 1.72 0.02 0.06 0.00 -0.67 -1.31 119.26 119.66 1nkl h ALA 30 Ca 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1nkl h ALA 30 Cb 0.48 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1nkl h ALA 30 CO 0.01 0.24 -0.25 0.00 0.00 0.00 0.00 179.25 179.25 1nkl h ALA 31 N 1.77 0.01 -0.37 0.00 0.00 -0.81 0.48 119.26 120.34 1nkl h ALA 31 Ca 0.11 -0.59 0.09 0.00 0.00 0.00 0.00 54.91 54.52 1nkl h ALA 31 Cb 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1nkl h ALA 31 CO -0.02 0.13 0.26 0.66 0.00 0.00 0.00 179.25 180.27 1nkl h SER 32 N -0.89 0.07 0.71 0.00 4.64 -0.98 -0.47 113.55 116.63 1nkl h SER 32 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1nkl h SER 32 Cb 1.14 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1nkl h SER 32 CO 0.01 0.04 -1.11 0.00 -0.87 0.00 0.00 176.83 174.90 1nkl n GLN 33 N -4.45 0.50 -0.21 4.77 1.13 -0.51 -3.06 117.38 115.56 1nkl n GLN 33 Ca 0.05 0.04 -0.04 0.00 -1.94 0.00 0.00 57.00 55.12 1nkl n GLN 33 Cb 0.39 -1.71 0.06 0.00 0.11 0.00 0.00 30.24 29.09 1nkl n GLN 33 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 1nkl h VAL 34 N 0.00 1.04 -0.00 5.09 3.04 0.17 -0.26 116.25 125.33 1nkl h VAL 34 Ca 0.00 -0.24 -0.00 0.00 -1.01 0.00 0.00 66.70 65.45 1nkl h VAL 34 Cb 0.91 0.28 -0.00 0.00 -2.01 0.00 0.00 31.29 30.47 1nkl h VAL 34 CO 0.00 0.13 -0.00 0.00 -1.01 0.00 0.00 177.57 176.69 1nkl h ASP 36 N -0.41 0.15 -0.01 0.00 1.82 -1.39 -2.66 116.42 113.91 1nkl h ASP 36 Ca 0.00 0.11 -0.21 0.00 -0.39 0.00 0.00 57.03 56.54 1nkl h ASP 36 Cb 0.42 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.55 1nkl h ASP 36 CO 0.00 0.06 -0.76 0.50 -1.61 0.00 0.00 179.24 177.44 1nkl h LYS 37 N 0.36 0.66 -6.01 0.28 3.64 -0.94 -3.41 116.57 111.15 1nkl h LYS 37 Ca 0.36 -0.54 -0.47 0.00 -1.27 0.00 0.00 60.65 58.73 1nkl h LYS 37 Cb 0.53 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.40 1nkl h LYS 37 CO -0.39 1.16 1.16 -0.51 -2.27 0.00 0.00 179.45 178.59 1nkl s LEU 38 N -8.26 3.26 0.71 5.20 1.43 -0.05 -4.97 118.68 115.99 1nkl s LEU 38 Ca -0.09 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 1nkl s LEU 38 Cb 0.09 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.78 1nkl s LEU 38 CO 0.88 -2.24 1.08 -1.59 0.23 0.00 0.00 176.35 174.70 1nkl s LYS 39 N 6.49 2.86 0.00 1.70 -2.85 -1.26 -1.68 119.74 125.00 1nkl s LYS 39 Ca 0.58 0.66 0.00 0.00 -1.00 0.00 0.00 55.97 56.21 1nkl s LYS 39 Cb -0.08 -2.00 0.00 0.00 -2.06 0.00 0.00 37.83 33.68 1nkl s LYS 39 CO 0.10 -1.08 0.00 -0.89 0.10 0.00 0.00 175.35 173.58 1nkl n ILE 40 N -3.07 0.00 1.34 3.79 2.08 -1.26 -4.37 119.36 117.88 1nkl n ILE 40 Ca 0.07 0.00 0.02 0.00 0.56 0.00 0.00 62.75 63.40 1nkl n ILE 40 Cb 0.56 0.00 0.06 0.00 -0.75 0.00 0.00 39.64 39.51 1nkl n ILE 40 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 1nkl n LEU 41 N 0.00 0.99 0.12 1.39 7.94 -1.24 -4.22 117.00 121.98 1nkl n LEU 41 Ca 0.00 -0.50 -0.13 0.00 -1.11 0.00 0.00 56.01 54.27 1nkl n LEU 41 Cb 0.00 -0.21 -0.07 0.00 0.53 0.00 0.00 43.42 43.68 1nkl n LEU 41 CO 0.00 0.21 0.78 -0.09 -1.11 0.00 0.00 177.39 177.18 1nkl h ARG 42 N 0.74 -0.30 -0.97 1.96 2.43 -1.51 -2.28 114.38 114.46 1nkl h ARG 42 Ca 0.00 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1nkl h ARG 42 Cb 0.33 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 1nkl h ARG 42 CO 0.02 -0.20 0.60 0.78 -1.51 0.00 0.00 179.97 179.66 1nkl h GLY 43 N -0.31 1.39 0.74 2.80 0.00 -1.87 0.08 103.07 105.89 1nkl h GLY 43 Ca -0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 1nkl h GLY 43 CO -0.02 0.55 -0.16 -2.00 0.00 0.00 0.00 176.54 174.90 1nkl h LEU 44 N 1.33 -0.38 0.14 3.11 7.12 -1.77 -1.36 115.31 123.49 1nkl h LEU 44 Ca 0.35 -0.13 0.02 0.00 0.13 0.00 0.00 57.88 58.24 1nkl h LEU 44 Cb -0.09 0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 40.10 1nkl h LEU 44 CO -0.07 -0.06 -0.39 0.00 -0.13 0.00 0.00 178.44 177.79 1nkl h LYS 46 N -0.63 0.93 -0.16 0.00 1.79 -0.93 0.13 116.57 117.71 1nkl h LYS 46 Ca 0.02 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1nkl h LYS 46 Cb 0.65 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 1nkl h LYS 46 CO -0.21 0.62 0.05 -0.22 -1.08 0.00 0.00 179.45 178.60 1nkl h LYS 47 N 0.96 0.24 -0.04 3.15 3.64 -0.88 -0.27 116.57 123.38 1nkl h LYS 47 Ca 0.44 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.80 1nkl h LYS 47 Cb 0.40 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1nkl h LYS 47 CO -0.20 0.36 -0.21 0.82 -2.27 0.00 0.00 179.45 177.95 1nkl h ILE 48 N 0.08 0.49 -0.65 2.00 2.04 0.04 -0.88 117.51 120.62 1nkl h ILE 48 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.94 1nkl h ILE 48 Cb 0.21 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1nkl h ILE 48 CO -0.00 0.00 0.41 0.24 0.00 0.00 0.00 178.15 178.80 1nkl h MET 49 N -0.32 0.79 -0.75 2.37 2.86 -0.96 0.17 114.93 119.09 1nkl h MET 49 Ca 0.07 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1nkl h MET 49 Cb 0.42 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 1nkl h MET 49 CO -0.22 0.52 0.49 -0.09 1.06 0.00 0.00 176.91 178.68 1nkl h ARG 50 N 0.82 0.97 0.00 1.72 1.12 -0.66 -0.05 114.38 118.30 1nkl h ARG 50 Ca 0.26 -0.06 -0.08 0.00 -1.11 0.00 0.00 59.98 58.99 1nkl h ARG 50 Cb -0.00 -0.22 -0.01 0.00 -0.01 0.00 0.00 29.97 29.73 1nkl h ARG 50 CO -0.09 0.64 -0.38 1.03 -3.11 0.00 0.00 179.97 178.06 1nkl h SER 51 N 1.00 0.00 -0.33 -3.80 0.87 -0.22 -3.38 113.55 107.68 1nkl h SER 51 Ca 0.28 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.61 1nkl h SER 51 Cb -0.09 0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 61.52 1nkl h SER 51 CO -0.07 0.38 -0.95 0.49 -0.53 0.00 0.00 176.83 176.16 1nkl n PHE 52 N -3.22 0.57 0.37 2.24 3.72 0.50 -5.01 117.46 116.62 1nkl n PHE 52 Ca 0.02 -2.02 -0.16 0.00 -0.05 0.00 0.00 57.45 55.24 1nkl n PHE 52 Cb 0.66 0.13 -0.08 0.00 -0.94 0.00 0.00 39.48 39.25 1nkl n PHE 52 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1nkl h LEU 53 N 2.25 -1.03 -1.18 4.37 7.12 -1.19 -0.07 115.31 125.59 1nkl h LEU 53 Ca -0.21 0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.86 1nkl h LEU 53 Cb 1.29 0.30 0.00 0.00 -0.53 0.00 0.00 40.66 41.71 1nkl h LEU 53 CO 0.10 -0.63 0.00 -0.09 -0.13 0.00 0.00 178.44 177.69 1nkl h ARG 54 N -1.02 0.00 0.15 1.25 1.12 -1.95 -0.89 114.38 113.04 1nkl h ARG 54 Ca -0.09 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.77 1nkl h ARG 54 Cb 0.81 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.77 1nkl h ARG 54 CO 0.10 0.00 -0.07 0.00 -3.11 0.00 0.00 179.97 176.89 1nkl h ARG 55 N 0.00 -0.20 -0.13 0.20 2.47 -1.80 -2.06 114.38 112.87 1nkl h ARG 55 Ca 0.00 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.77 1nkl h ARG 55 Cb 0.41 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 1nkl h ARG 55 CO 0.00 0.23 0.13 0.82 0.56 0.00 0.00 179.97 181.71 1nkl h ILE 56 N -0.73 0.56 0.40 2.04 1.08 0.30 0.52 117.51 121.68 1nkl h ILE 56 Ca -0.02 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 1nkl h ILE 56 Cb 0.52 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 1nkl h ILE 56 CO 0.03 0.00 -0.19 -1.28 -0.69 0.00 0.00 178.15 176.02 1nkl h SER 57 N 0.00 -0.46 -0.61 1.72 0.87 -1.24 -2.27 113.55 111.57 1nkl h SER 57 Ca 0.06 -0.12 0.13 0.00 -1.23 0.00 0.00 61.79 60.63 1nkl h SER 57 Cb 0.32 0.12 -0.11 0.00 -0.44 0.00 0.00 62.40 62.29 1nkl h SER 57 CO -0.00 -0.05 -0.04 -0.25 -0.53 0.00 0.00 176.83 175.96 1nkl h TRP 58 N -0.94 -0.11 0.05 2.24 7.01 -0.42 0.13 115.95 123.90 1nkl h TRP 58 Ca -0.06 0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.01 1nkl h TRP 58 Cb 0.55 0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.70 1nkl h TRP 58 CO 0.02 -0.19 -0.48 -0.44 -2.79 0.00 0.00 178.44 174.56 1nkl h ASP 59 N 0.08 -1.45 -0.56 2.65 3.32 -0.92 0.50 116.42 120.05 1nkl h ASP 59 Ca 0.31 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.52 1nkl h ASP 59 Cb 0.51 0.55 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 1nkl h ASP 59 CO -0.55 -0.51 0.31 0.40 -1.72 0.00 0.00 179.24 177.17 1nkl h ILE 60 N -0.66 1.18 -0.53 0.35 5.03 -0.99 -1.57 117.51 120.32 1nkl h ILE 60 Ca 0.02 -0.47 0.00 0.00 -0.12 0.00 0.00 64.86 64.30 1nkl h ILE 60 Cb 0.71 0.48 -0.03 0.00 -3.03 0.00 0.00 36.82 34.95 1nkl h ILE 60 CO -0.31 0.20 0.33 -0.07 -0.68 0.00 0.00 178.15 177.62 1nkl h LEU 61 N 0.75 0.63 -0.70 1.44 3.38 -0.35 0.67 115.31 121.12 1nkl h LEU 61 Ca 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1nkl h LEU 61 Cb 0.05 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1nkl h LEU 61 CO -0.03 0.47 0.00 0.35 0.09 0.00 0.00 178.44 179.32 1nkl n THR 62 N -4.44 0.23 -4.34 0.22 -2.24 0.13 -4.92 114.28 98.93 1nkl n THR 62 Ca 0.05 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.26 1nkl n THR 62 Cb 0.06 0.12 -0.09 0.00 -2.10 0.00 0.00 70.33 68.32 1nkl n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nkl n GLY 63 N 0.86 -0.17 3.82 3.38 0.00 0.23 -4.91 105.19 108.40 1nkl n GLY 63 Ca 0.09 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 1nkl n GLY 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nkl s LYS 64 N -7.33 4.17 0.71 1.61 2.20 -0.61 -5.02 119.74 115.48 1nkl s LYS 64 Ca 0.13 0.73 -0.12 0.00 -0.36 0.00 0.00 55.97 56.35 1nkl s LYS 64 Cb -0.07 -3.00 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 1nkl s LYS 64 CO 1.00 0.49 1.08 0.15 -0.36 0.00 0.00 175.35 177.71 1nkl s LYS 65 N -1.73 2.65 0.07 4.03 3.01 -1.26 -4.79 119.74 121.71 1nkl s LYS 65 Ca 0.38 1.18 -0.23 0.00 -1.01 0.00 0.00 55.97 56.29 1nkl s LYS 65 Cb -0.17 -1.94 -0.14 0.00 -1.01 0.00 0.00 37.83 34.56 1nkl s LYS 65 CO 0.20 -1.34 1.60 -1.00 0.51 0.00 0.00 175.35 175.32 1nkl h PRO 66 N -0.60 0.09 -0.95 -1.68 0.13 -1.95 0.22 132.00 127.26 1nkl h PRO 66 Ca -0.45 -0.02 0.16 0.00 -0.87 0.00 0.00 66.00 64.83 1nkl h PRO 66 Cb 1.23 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 1nkl h PRO 66 CO 0.54 0.22 0.56 0.37 -0.23 0.00 0.00 178.00 179.45 1nkl h GLN 67 N -0.06 0.74 0.11 0.86 -0.00 -1.94 0.07 115.11 114.89 1nkl h GLN 67 Ca 0.02 -0.04 -0.28 0.00 -0.00 0.00 0.00 58.65 58.34 1nkl h GLN 67 Cb 0.16 -0.17 0.02 0.00 0.00 0.00 0.00 27.48 27.49 1nkl h GLN 67 CO -0.00 0.49 -1.21 0.00 0.00 0.00 0.00 178.83 178.11 1nkl h ALA 68 N 1.60 0.08 0.39 3.38 0.00 -1.74 -1.88 119.26 121.09 1nkl h ALA 68 Ca 0.53 -0.80 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1nkl h ALA 68 Cb 0.74 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1nkl h ALA 68 CO -0.36 0.80 -0.19 0.82 0.00 0.00 0.00 179.25 180.32 1nkl h ILE 69 N 0.19 0.62 -0.78 0.00 2.04 -0.20 0.22 117.51 119.60 1nkl h ILE 69 Ca -0.16 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1nkl h ILE 69 Cb 1.89 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 38.59 1nkl h ILE 69 CO 0.22 0.01 0.46 0.00 0.00 0.00 0.00 178.15 178.84 1nkl h VAL 71 N 1.08 1.09 0.05 0.00 2.07 -1.27 0.21 116.25 119.49 1nkl h VAL 71 Ca 0.28 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1nkl h VAL 71 Cb -0.03 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1nkl h VAL 71 CO -0.05 0.18 -0.44 -0.78 0.02 0.00 0.00 177.57 176.50 1nkl h ASP 72 N -0.48 -1.32 -0.02 0.57 1.82 -0.44 -0.44 116.42 116.11 1nkl h ASP 72 Ca -0.01 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1nkl h ASP 72 Cb 0.40 0.51 0.00 0.00 0.68 0.00 0.00 39.33 40.91 1nkl h ASP 72 CO 0.02 -0.48 0.00 2.30 -1.61 0.00 0.00 179.24 179.47 1nkl n ILE 73 N -5.46 0.02 -2.55 2.25 -5.35 -0.57 -4.93 119.36 102.78 1nkl n ILE 73 Ca -0.07 -0.06 -0.02 0.00 -0.27 0.00 0.00 62.75 62.33 1nkl n ILE 73 Cb 0.38 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 1nkl n ILE 73 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1nkl n LYS 74 N -0.65 -1.19 0.00 6.28 4.81 -0.18 -5.01 118.16 122.23 1nkl n LYS 74 Ca 0.18 1.36 0.00 0.00 -0.87 0.00 0.00 58.31 58.97 1nkl n LYS 74 Cb 0.13 -4.49 0.00 0.00 0.02 0.00 0.00 35.03 30.70 1nkl n LYS 74 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1nkl n ILE 75 N -1.14 0.00 0.00 3.15 5.41 0.65 -5.02 119.36 122.41 1nkl n ILE 75 Ca 0.03 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1nkl n ILE 75 Cb 0.44 0.25 0.00 0.00 -0.71 0.00 0.00 39.64 39.62 1nkl n ILE 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nkl n LYS 77 N 0.00 0.00 0.00 0.00 0.00 -1.26 -0.65 118.16 116.25 1nkl n LYS 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1nkl n LYS 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1nkl n LYS 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79