#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 -0.25 1.61 9.36 -1.26 -4.65 117.16 121.97 1nkl n TYR 2 Ca 0.00 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.38 1nkl n TYR 2 Cb 0.00 0.00 0.30 0.00 -0.63 0.00 0.00 39.34 39.01 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 0.63 0.16 2.98 3.72 -1.26 -1.66 117.46 122.02 1nkl n PHE 3 Ca 0.00 0.90 -0.14 0.00 -0.05 0.00 0.00 57.45 58.16 1nkl n PHE 3 Cb 0.00 -1.16 -0.06 0.00 -0.94 0.00 0.00 39.48 37.32 1nkl n PHE 3 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nkl h GLU 5 N -0.52 -1.13 -0.70 0.00 4.22 -1.64 0.70 114.58 115.52 1nkl h GLU 5 Ca 0.00 0.08 -0.04 0.00 0.08 0.00 0.00 59.36 59.48 1nkl h GLU 5 Cb 0.50 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1nkl h GLU 5 CO -0.08 -0.75 0.26 0.77 -2.18 0.00 0.00 179.01 177.03 1nkl h SER 6 N -1.17 0.95 -0.29 1.04 0.02 -1.47 0.35 113.55 112.99 1nkl h SER 6 Ca -0.11 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1nkl h SER 6 Cb 0.93 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1nkl h SER 6 CO 0.12 0.86 0.18 0.00 -1.14 0.00 0.00 176.83 176.85 1nkl h ARG 8 N 0.37 -0.35 -0.80 0.00 2.43 -0.03 -1.17 114.38 114.83 1nkl h ARG 8 Ca 0.10 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.42 1nkl h ARG 8 Cb 0.00 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.55 1nkl h ARG 8 CO -0.02 -0.23 0.42 -0.22 -1.51 0.00 0.00 179.97 178.40 1nkl h LYS 9 N -0.36 0.64 0.65 0.20 3.64 -0.77 0.20 116.57 120.75 1nkl h LYS 9 Ca 0.04 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1nkl h LYS 9 Cb 0.40 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1nkl h LYS 9 CO -0.14 0.42 -0.36 0.82 -2.27 0.00 0.00 179.45 177.92 1nkl h ILE 10 N 0.65 0.26 -0.58 2.00 2.04 -0.21 -2.45 117.51 119.22 1nkl h ILE 10 Ca 0.42 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.20 1nkl h ILE 10 Cb 0.50 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1nkl h ILE 10 CO -0.31 0.00 0.05 0.40 0.00 0.00 0.00 178.15 178.29 1nkl h ILE 11 N -0.94 1.25 -0.36 -0.67 5.03 -0.89 -2.70 117.51 118.23 1nkl h ILE 11 Ca -0.08 -1.03 0.08 0.00 -0.12 0.00 0.00 64.86 63.70 1nkl h ILE 11 Cb 0.75 0.75 -0.08 0.00 -3.03 0.00 0.00 36.82 35.21 1nkl h ILE 11 CO 0.11 0.38 -0.14 1.56 -0.68 0.00 0.00 178.15 179.38 1nkl h GLN 12 N 0.90 -0.06 0.00 2.37 1.08 -0.43 0.10 115.11 119.08 1nkl h GLN 12 Ca 0.18 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.26 1nkl h GLN 12 Cb 0.46 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 1nkl h GLN 12 CO 0.02 -0.04 -0.55 -0.22 -0.95 0.00 0.00 178.83 177.08 1nkl h LYS 13 N -0.06 0.00 0.35 1.46 3.11 -1.42 -2.42 116.57 117.60 1nkl h LYS 13 Ca 0.18 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.00 1nkl h LYS 13 Cb 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 1nkl h LYS 13 CO -0.41 0.55 -0.17 1.25 -2.81 0.00 0.00 179.45 177.86 1nkl h LEU 14 N 0.00 -0.40 -0.54 5.20 5.85 -0.87 -0.22 115.31 124.32 1nkl h LEU 14 Ca -0.01 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1nkl h LEU 14 Cb 1.11 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 1nkl h LEU 14 CO 0.07 -0.24 0.27 -0.08 -0.34 0.00 0.00 178.44 178.13 1nkl h GLU 15 N -0.54 0.51 -0.85 1.25 4.81 -0.74 0.30 114.58 119.32 1nkl h GLU 15 Ca -0.05 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1nkl h GLU 15 Cb 0.40 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 1nkl h GLU 15 CO 0.08 0.34 0.53 0.22 -0.73 0.00 0.00 179.01 179.45 1nkl h ASP 16 N 0.53 0.85 0.33 1.04 1.82 -1.45 -0.78 116.42 118.76 1nkl h ASP 16 Ca 0.24 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.87 1nkl h ASP 16 Cb 0.15 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 39.99 1nkl h ASP 16 CO -0.17 0.55 -0.16 0.24 -1.61 0.00 0.00 179.24 178.10 1nkl h MET 17 N 0.99 -0.42 -0.15 0.28 2.86 0.02 -3.32 114.93 115.18 1nkl h MET 17 Ca 0.36 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 58.01 1nkl h MET 17 Cb 0.13 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1nkl h MET 17 CO -0.16 -0.16 0.00 -0.24 1.06 0.00 0.00 176.91 177.42 1nkl h VAL 18 N -1.03 1.10 -0.04 -2.22 3.04 -0.98 -3.49 116.25 112.62 1nkl h VAL 18 Ca -0.04 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 1nkl h VAL 18 Cb 0.46 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 1nkl h VAL 18 CO 0.07 0.13 0.00 0.61 -1.01 0.00 0.00 177.57 177.37 1nkl n GLY 19 N -1.24 -1.61 3.69 3.17 0.00 -0.30 -4.78 105.19 104.12 1nkl n GLY 19 Ca -0.01 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 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 0.69 -0.11 1.61 0.04 -1.26 -4.46 135.00 131.50 1nkl s PRO 20 Ca 0.00 0.64 -0.02 0.00 0.04 0.00 0.00 61.00 61.66 1nkl s PRO 20 Cb 0.00 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1nkl s PRO 20 CO 0.00 -2.58 0.07 1.04 0.04 0.00 0.00 177.00 175.57 1nkl n GLN 21 N -4.09 -0.50 0.00 4.56 3.00 -1.26 -4.94 117.38 114.15 1nkl n GLN 21 Ca 0.06 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1nkl n GLN 21 Cb 0.56 0.08 0.00 0.00 0.00 0.00 0.00 30.24 30.88 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 -1.02 0.09 -4.02 -1.09 -0.04 -1.26 -5.11 135.00 122.54 1nkl n PRO 22 Ca -0.03 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.32 1nkl n PRO 22 Cb 0.07 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.42 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 -1.09 0.53 0.34 3.54 2.20 -1.26 -5.00 114.94 114.20 1nkl s ASN 23 Ca 0.00 -0.52 0.13 0.00 -0.94 0.00 0.00 52.86 51.52 1nkl s ASN 23 Cb 0.00 0.07 1.07 0.00 -2.00 0.00 0.00 41.25 40.39 1nkl s ASN 23 CO 0.00 -0.25 1.61 -0.08 -2.94 0.00 0.00 177.10 175.43 1nkl h GLU 24 N 4.58 0.11 0.14 3.55 4.22 -1.99 -0.63 114.58 124.56 1nkl h GLU 24 Ca -0.34 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.09 1nkl h GLU 24 Cb 1.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1nkl h GLU 24 CO 0.41 0.07 -0.07 0.22 -2.18 0.00 0.00 179.01 177.46 1nkl h ASP 25 N 0.11 -0.16 -0.78 1.04 3.58 -1.99 -1.82 116.42 116.41 1nkl h ASP 25 Ca 0.73 -0.37 0.12 0.00 0.42 0.00 0.00 57.03 57.93 1nkl h ASP 25 Cb 1.74 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 42.77 1nkl h ASP 25 CO -0.74 0.34 0.51 0.74 -2.88 0.00 0.00 179.24 177.20 1nkl h THR 26 N -0.72 0.88 -0.12 2.25 2.02 -1.59 0.23 112.91 115.87 1nkl h THR 26 Ca -0.02 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1nkl h THR 26 Cb 0.52 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1nkl h THR 26 CO 0.03 0.11 -0.04 0.58 0.37 0.00 0.00 175.52 176.58 1nkl h VAL 27 N 0.61 1.30 -0.33 3.16 2.07 -1.16 0.24 116.25 122.13 1nkl h VAL 27 Ca 0.37 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.94 1nkl h VAL 27 Cb 0.61 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1nkl h VAL 27 CO -0.14 0.29 0.06 0.74 0.02 0.00 0.00 177.57 178.54 1nkl h THR 28 N -0.10 0.84 -0.19 2.57 2.02 0.06 0.97 112.91 119.08 1nkl h THR 28 Ca 0.03 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 1nkl h THR 28 Cb 0.46 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1nkl h THR 28 CO 0.01 0.03 -0.14 0.06 0.37 0.00 0.00 175.52 175.85 1nkl h GLN 29 N 0.18 0.43 -0.42 6.66 3.07 -0.71 -1.35 115.11 122.96 1nkl h GLN 29 Ca 0.15 -0.21 0.02 0.00 0.09 0.00 0.00 58.65 58.71 1nkl h GLN 29 Cb 0.17 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.71 1nkl h GLN 29 CO -0.20 0.76 0.28 0.00 0.09 0.00 0.00 178.83 179.76 1nkl h ALA 30 N 0.66 1.77 0.02 0.06 0.00 -0.65 -0.75 119.26 120.36 1nkl h ALA 30 Ca 0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1nkl h ALA 30 Cb 0.66 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1nkl h ALA 30 CO 0.04 0.19 -0.19 0.00 0.00 0.00 0.00 179.25 179.29 1nkl h ALA 31 N 1.75 -0.00 -0.11 0.00 0.00 -0.79 0.45 119.26 120.55 1nkl h ALA 31 Ca 0.17 -0.49 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1nkl h ALA 31 Cb 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1nkl h ALA 31 CO -0.04 0.06 0.22 0.66 0.00 0.00 0.00 179.25 180.15 1nkl h SER 32 N -0.70 0.00 0.40 0.00 4.64 -0.88 -0.46 113.55 116.55 1nkl h SER 32 Ca -0.03 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.98 1nkl h SER 32 Cb 1.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 1nkl h SER 32 CO 0.04 0.00 -1.72 1.56 -0.87 0.00 0.00 176.83 175.84 1nkl h GLN 33 N 0.00 0.13 -0.97 4.77 1.08 -1.10 -3.26 115.11 115.76 1nkl h GLN 33 Ca 0.05 -0.23 0.01 0.00 -1.45 0.00 0.00 58.65 57.04 1nkl h GLN 33 Cb 0.50 0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.96 1nkl h GLN 33 CO -0.00 0.86 0.65 -0.24 -0.95 0.00 0.00 178.83 179.15 1nkl h VAL 34 N 0.04 1.24 0.21 -0.54 3.04 0.16 0.19 116.25 120.58 1nkl h VAL 34 Ca -0.30 -0.45 -0.01 0.00 -1.01 0.00 0.00 66.70 64.93 1nkl h VAL 34 Cb 2.01 -0.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 1nkl h VAL 34 CO 0.10 0.24 -0.10 0.00 -1.01 0.00 0.00 177.57 176.80 1nkl h ASP 36 N -0.70 0.00 0.01 0.00 1.82 -1.37 -2.94 116.42 113.24 1nkl h ASP 36 Ca -0.03 0.11 -0.21 0.00 -0.39 0.00 0.00 57.03 56.51 1nkl h ASP 36 Cb 0.49 0.15 0.01 0.00 0.68 0.00 0.00 39.33 40.65 1nkl h ASP 36 CO 0.05 0.01 -0.78 0.50 -1.61 0.00 0.00 179.24 177.41 1nkl h LYS 37 N 0.26 0.65 -6.38 0.28 3.64 -1.00 -3.43 116.57 110.59 1nkl h LYS 37 Ca 0.31 -0.54 -0.56 0.00 -1.27 0.00 0.00 60.65 58.59 1nkl h LYS 37 Cb 0.45 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.34 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 -8.22 3.48 0.64 5.20 1.43 -0.23 -4.98 118.68 116.00 1nkl s LEU 38 Ca -0.09 0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 53.63 1nkl s LEU 38 Cb 0.09 -3.29 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 1nkl s LEU 38 CO 0.88 -1.68 1.04 -1.59 0.23 0.00 0.00 176.35 175.23 1nkl s LYS 39 N 5.49 3.39 0.00 1.70 -2.85 -1.26 -1.84 119.74 124.36 1nkl s LYS 39 Ca 0.64 0.86 0.00 0.00 -1.00 0.00 0.00 55.97 56.47 1nkl s LYS 39 Cb -0.15 -2.05 0.00 0.00 -2.06 0.00 0.00 37.83 33.57 1nkl s LYS 39 CO 0.30 -0.74 0.00 -0.89 0.10 0.00 0.00 175.35 174.11 1nkl n ILE 40 N -2.74 0.00 1.33 3.79 2.08 -1.26 -4.36 119.36 118.21 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 0.54 0.00 0.06 0.00 -0.75 0.00 0.00 39.64 39.49 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 1.01 -0.00 1.39 -0.00 -1.25 -4.22 117.00 113.93 1nkl n LEU 41 Ca 0.00 -0.51 -0.10 0.00 -0.00 0.00 0.00 56.01 55.40 1nkl n LEU 41 Cb 0.00 -0.21 -0.05 0.00 -0.00 0.00 0.00 43.42 43.16 1nkl n LEU 41 CO 0.00 0.21 0.86 -0.09 -0.00 0.00 0.00 177.39 178.37 1nkl h ARG 42 N 0.74 0.03 -0.81 1.96 2.43 -1.55 -2.88 114.38 114.29 1nkl h ARG 42 Ca 0.00 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1nkl h ARG 42 Cb 0.34 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 1nkl h ARG 42 CO 0.02 0.02 0.51 0.78 -1.51 0.00 0.00 179.97 179.79 1nkl h GLY 43 N 0.03 1.19 0.79 2.80 0.00 -1.86 -0.77 103.07 105.25 1nkl h GLY 43 Ca 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1nkl h GLY 43 CO -0.09 0.31 -0.30 -2.00 0.00 0.00 0.00 176.54 174.46 1nkl h LEU 44 N 0.98 -0.72 -0.53 3.11 7.12 -1.84 -1.99 115.31 121.45 1nkl h LEU 44 Ca 0.33 -0.02 0.10 0.00 0.13 0.00 0.00 57.88 58.42 1nkl h LEU 44 Cb 0.05 0.19 -0.08 0.00 -0.53 0.00 0.00 40.66 40.28 1nkl h LEU 44 CO -0.13 -0.38 0.03 0.00 -0.13 0.00 0.00 178.44 177.83 1nkl h LYS 46 N 0.14 1.23 -0.42 0.00 1.79 -0.98 0.07 116.57 118.41 1nkl h LYS 46 Ca 0.27 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.64 1nkl h LYS 46 Cb 0.40 -0.28 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1nkl h LYS 46 CO -0.42 0.81 0.17 -0.22 -1.08 0.00 0.00 179.45 178.71 1nkl h LYS 47 N 1.26 0.62 -0.14 3.15 3.11 -0.53 -1.08 116.57 122.97 1nkl h LYS 47 Ca 0.38 -0.11 0.04 0.00 -2.81 0.00 0.00 60.65 58.15 1nkl h LYS 47 Cb -0.04 -0.10 -0.05 0.00 -1.00 0.00 0.00 32.23 31.04 1nkl h LYS 47 CO -0.11 0.58 -0.17 0.82 -2.81 0.00 0.00 179.45 177.76 1nkl h ILE 48 N 0.53 0.55 -0.38 2.00 1.08 0.20 -0.86 117.51 120.64 1nkl h ILE 48 Ca 0.14 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.49 1nkl h ILE 48 Cb 0.19 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1nkl h ILE 48 CO -0.01 0.00 -0.25 0.24 -0.69 0.00 0.00 178.15 177.44 1nkl h MET 49 N -0.21 0.83 -0.67 2.37 2.86 -0.96 0.25 114.93 119.40 1nkl h MET 49 Ca 0.10 -0.39 0.07 0.00 -2.06 0.00 0.00 59.70 57.42 1nkl h MET 49 Cb 0.35 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 1nkl h MET 49 CO -0.26 1.03 0.44 -0.09 1.06 0.00 0.00 176.91 179.09 1nkl h ARG 50 N 0.63 0.61 0.15 1.72 1.12 -0.87 0.23 114.38 117.97 1nkl h ARG 50 Ca 0.08 -0.04 -0.29 0.00 -1.11 0.00 0.00 59.98 58.62 1nkl h ARG 50 Cb 0.81 -0.14 0.01 0.00 -0.01 0.00 0.00 29.97 30.64 1nkl h ARG 50 CO 0.07 0.41 -1.34 1.03 -3.11 0.00 0.00 179.97 177.03 1nkl h SER 51 N 0.63 0.48 -0.20 -3.80 0.87 -0.67 -3.43 113.55 107.43 1nkl h SER 51 Ca 0.30 -0.54 -0.20 0.00 -1.23 0.00 0.00 61.79 60.12 1nkl h SER 51 Cb 0.34 -0.16 -0.29 0.00 -0.44 0.00 0.00 62.40 61.86 1nkl h SER 51 CO -0.10 1.43 -0.74 0.49 -0.53 0.00 0.00 176.83 177.38 1nkl n PHE 52 N -3.54 -0.18 0.40 2.24 3.72 0.84 -5.02 117.46 115.92 1nkl n PHE 52 Ca -0.11 -1.72 -0.19 0.00 -0.05 0.00 0.00 57.45 55.38 1nkl n PHE 52 Cb 1.04 0.49 -0.09 0.00 -0.94 0.00 0.00 39.48 39.98 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 1.69 -1.13 -1.80 4.37 5.85 -0.72 -2.10 115.31 121.47 1nkl h LEU 53 Ca -0.29 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1nkl h LEU 53 Cb 1.35 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.71 1nkl h LEU 53 CO 0.00 -0.69 0.00 -0.09 -0.34 0.00 0.00 178.44 177.32 1nkl h ARG 54 N -1.10 0.00 -0.33 1.25 2.43 -1.96 -0.39 114.38 114.28 1nkl h ARG 54 Ca -0.09 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1nkl h ARG 54 Cb 0.89 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1nkl h ARG 54 CO 0.09 0.00 0.15 0.00 -1.51 0.00 0.00 179.97 178.71 1nkl h ARG 55 N 0.00 0.49 -0.10 0.20 3.08 -1.80 -2.52 114.38 113.74 1nkl h ARG 55 Ca 0.00 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 59.99 1nkl h ARG 55 Cb 0.30 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1nkl h ARG 55 CO 0.00 0.46 0.07 0.82 -1.07 0.00 0.00 179.97 180.25 1nkl h ILE 56 N 0.40 0.98 0.15 2.04 1.08 -0.84 -2.01 117.51 119.31 1nkl h ILE 56 Ca 0.11 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.56 1nkl h ILE 56 Cb 0.14 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1nkl h ILE 56 CO -0.01 0.01 -0.07 -1.28 -0.69 0.00 0.00 178.15 176.11 1nkl h SER 57 N 0.06 -0.17 -0.79 1.72 0.87 -1.37 -2.80 113.55 111.06 1nkl h SER 57 Ca 0.04 -0.32 0.17 0.00 -1.23 0.00 0.00 61.79 60.45 1nkl h SER 57 Cb 0.10 0.04 -0.15 0.00 -0.44 0.00 0.00 62.40 61.95 1nkl h SER 57 CO -0.00 0.26 -0.12 -0.25 -0.53 0.00 0.00 176.83 176.18 1nkl h TRP 58 N -0.63 -0.29 0.18 2.24 7.01 -0.97 -1.86 115.95 121.62 1nkl h TRP 58 Ca -0.02 0.07 0.01 0.00 2.11 0.00 0.00 58.89 61.06 1nkl h TRP 58 Cb 0.48 0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 27.75 1nkl h TRP 58 CO 0.06 -0.32 -0.53 -0.44 -2.79 0.00 0.00 178.44 174.42 1nkl h ASP 59 N 0.03 -1.57 -0.75 2.65 3.32 -1.36 -0.84 116.42 117.90 1nkl h ASP 59 Ca 0.40 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.60 1nkl h ASP 59 Cb 0.67 0.57 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 1nkl h ASP 59 CO -0.78 -0.58 0.42 0.40 -1.72 0.00 0.00 179.24 176.99 1nkl h ILE 60 N -0.79 1.22 -0.83 0.35 1.08 -1.09 -0.01 117.51 117.44 1nkl h ILE 60 Ca -0.01 -0.53 0.02 0.00 -0.39 0.00 0.00 64.86 63.95 1nkl h ILE 60 Cb 0.78 0.21 -0.05 0.00 -3.07 0.00 0.00 36.82 34.70 1nkl h ILE 60 CO -0.26 0.24 0.54 -0.07 -0.69 0.00 0.00 178.15 177.92 1nkl h LEU 61 N 1.03 0.92 -2.92 1.44 3.38 -1.34 0.04 115.31 117.87 1nkl h LEU 61 Ca 0.26 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.98 1nkl h LEU 61 Cb 0.01 -0.22 -0.14 0.00 0.09 0.00 0.00 40.66 40.40 1nkl h LEU 61 CO -0.05 0.65 0.30 0.35 0.09 0.00 0.00 178.44 179.79 1nkl n THR 62 N -4.54 2.01 -3.79 0.22 -2.24 -0.33 -4.91 114.28 100.71 1nkl n THR 62 Ca 0.09 -0.88 -0.23 0.00 -2.27 0.00 0.00 64.05 60.76 1nkl n THR 62 Cb 0.05 -0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 67.44 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 -0.24 -0.11 3.82 3.38 0.00 0.00 -4.89 105.19 107.15 1nkl n GLY 63 Ca 0.27 0.12 -0.37 0.00 0.00 0.00 0.00 46.02 46.04 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 -6.07 4.17 0.69 1.61 2.47 -0.07 -5.00 119.74 117.54 1nkl s LYS 64 Ca 0.08 0.73 -0.13 0.00 -1.56 0.00 0.00 55.97 55.09 1nkl s LYS 64 Cb -0.04 -3.05 0.01 0.00 -1.46 0.00 0.00 37.83 33.29 1nkl s LYS 64 CO 0.72 0.52 1.08 0.15 0.16 0.00 0.00 175.35 177.98 1nkl s LYS 65 N -1.60 2.81 0.04 4.03 -0.14 -1.26 -4.71 119.74 118.91 1nkl s LYS 65 Ca 0.36 1.15 -0.26 0.00 -1.36 0.00 0.00 55.97 55.86 1nkl s LYS 65 Cb -0.18 -1.97 -0.17 0.00 -1.68 0.00 0.00 37.83 33.84 1nkl s LYS 65 CO 0.20 -1.21 1.48 -1.00 -0.76 0.00 0.00 175.35 174.06 1nkl h PRO 66 N -0.43 -0.31 -0.25 -1.68 0.13 -1.94 0.58 132.00 128.10 1nkl h PRO 66 Ca -0.45 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1nkl h PRO 66 Cb 1.22 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1nkl h PRO 66 CO 0.55 -0.08 0.11 0.37 -0.23 0.00 0.00 178.00 178.72 1nkl h GLN 67 N -0.51 0.34 0.18 0.86 4.15 -1.93 -1.56 115.11 116.64 1nkl h GLN 67 Ca -0.03 -0.03 -0.32 0.00 0.77 0.00 0.00 58.65 59.04 1nkl h GLN 67 Cb 0.38 -0.07 0.03 0.00 0.21 0.00 0.00 27.48 28.03 1nkl h GLN 67 CO 0.05 0.27 -1.34 0.00 -1.93 0.00 0.00 178.83 175.88 1nkl h ALA 68 N 1.79 -0.08 -0.36 3.38 0.00 -1.84 -2.84 119.26 119.32 1nkl h ALA 68 Ca 0.09 -0.81 0.08 0.00 0.00 0.00 0.00 54.91 54.27 1nkl h ALA 68 Cb 0.05 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1nkl h ALA 68 CO -0.01 0.68 -0.17 0.82 0.00 0.00 0.00 179.25 180.58 1nkl h ILE 69 N 0.22 0.49 -0.88 0.00 2.04 -0.35 -0.93 117.51 118.10 1nkl h ILE 69 Ca -0.22 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1nkl h ILE 69 Cb 2.02 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 1nkl h ILE 69 CO 0.26 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.93 1nkl h VAL 71 N 1.21 1.27 0.10 0.00 2.07 -1.05 0.55 116.25 120.40 1nkl h VAL 71 Ca 0.32 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.59 1nkl h VAL 71 Cb -0.05 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1nkl h VAL 71 CO -0.06 0.44 -0.37 -0.78 0.02 0.00 0.00 177.57 176.82 1nkl h ASP 72 N 0.75 -1.09 -0.03 0.57 1.82 -0.61 -1.57 116.42 116.26 1nkl h ASP 72 Ca 0.11 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.88 1nkl h ASP 72 Cb 0.69 0.41 0.00 0.00 0.68 0.00 0.00 39.33 41.11 1nkl h ASP 72 CO 0.05 -0.45 0.00 2.30 -1.61 0.00 0.00 179.24 179.53 1nkl n ILE 73 N -5.44 0.03 -2.24 2.25 -5.35 -0.94 -4.92 119.36 102.75 1nkl n ILE 73 Ca -0.07 -0.13 -0.03 0.00 -0.27 0.00 0.00 62.75 62.26 1nkl n ILE 73 Cb 0.36 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 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 -0.42 -1.06 0.00 6.28 4.81 -0.59 -5.02 118.16 122.16 1nkl n LYS 74 Ca 0.19 1.24 0.00 0.00 -0.87 0.00 0.00 58.31 58.87 1nkl n LYS 74 Cb 0.20 -3.69 0.00 0.00 0.02 0.00 0.00 35.03 31.56 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 -0.72 0.00 -3.91 3.15 5.41 0.18 -5.00 119.36 118.46 1nkl n ILE 75 Ca 0.04 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.55 1nkl n ILE 75 Cb 0.32 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.21 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 -1.46 -1.68 0.00 0.00 4.81 -1.26 -4.25 118.16 114.31 1nkl n LYS 77 Ca -0.00 0.65 0.14 0.00 -0.87 0.00 0.00 58.31 58.22 1nkl n LYS 77 Cb 0.64 -5.02 0.54 0.00 0.02 0.00 0.00 35.03 31.20 1nkl n LYS 77 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96