#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 -0.36 1.61 9.36 -1.26 -4.67 117.16 121.84 1nkl n TYR 2 Ca 0.00 0.00 0.31 0.00 3.32 0.00 0.00 57.90 61.53 1nkl n TYR 2 Cb 0.00 0.00 0.57 0.00 -0.63 0.00 0.00 39.34 39.28 1nkl n TYR 2 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1nkl h PHE 3 N 0.00 0.78 0.29 2.98 0.04 -1.94 -2.19 116.94 116.91 1nkl h PHE 3 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1nkl h PHE 3 Cb 0.00 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 1nkl h PHE 3 CO 0.00 -0.31 -0.38 0.00 -0.60 0.00 0.00 178.31 177.01 1nkl h GLU 5 N -0.73 0.13 -0.31 0.00 4.22 -1.73 0.79 114.58 116.96 1nkl h GLU 5 Ca -0.01 -0.03 0.07 0.00 0.08 0.00 0.00 59.36 59.47 1nkl h GLU 5 Cb 0.68 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.83 1nkl h GLU 5 CO -0.12 0.27 -0.35 0.77 -2.18 0.00 0.00 179.01 177.39 1nkl h SER 6 N -0.04 -1.15 -0.43 1.04 0.02 -1.37 -0.15 113.55 111.47 1nkl h SER 6 Ca 0.03 0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1nkl h SER 6 Cb 0.19 0.51 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1nkl h SER 6 CO -0.00 -0.35 0.27 0.00 -1.14 0.00 0.00 176.83 175.60 1nkl h ARG 8 N 0.58 -0.15 -0.37 0.00 2.43 -0.10 0.83 114.38 117.58 1nkl h ARG 8 Ca 0.16 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1nkl h ARG 8 Cb -0.02 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1nkl h ARG 8 CO -0.03 -0.10 0.24 -0.22 -1.51 0.00 0.00 179.97 178.35 1nkl h LYS 9 N -0.16 0.49 0.34 0.20 3.64 -0.86 -0.17 116.57 120.05 1nkl h LYS 9 Ca 0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1nkl h LYS 9 Cb 0.20 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1nkl h LYS 9 CO -0.08 0.33 -0.24 0.82 -2.27 0.00 0.00 179.45 178.01 1nkl h ILE 10 N 0.50 0.50 0.13 2.00 2.04 -0.50 -1.68 117.51 120.49 1nkl h ILE 10 Ca 0.14 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 1nkl h ILE 10 Cb -0.05 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1nkl h ILE 10 CO -0.03 0.00 -0.06 0.40 0.00 0.00 0.00 178.15 178.46 1nkl h ILE 11 N -0.57 0.90 -0.37 -0.67 1.08 -0.81 -2.74 117.51 114.34 1nkl h ILE 11 Ca -0.03 -0.11 0.06 0.00 -0.39 0.00 0.00 64.86 64.39 1nkl h ILE 11 Cb 0.49 0.97 -0.06 0.00 -3.07 0.00 0.00 36.82 35.15 1nkl h ILE 11 CO 0.01 0.03 0.02 1.56 -0.69 0.00 0.00 178.15 179.07 1nkl h GLN 12 N -0.23 0.12 0.00 2.37 1.08 -0.83 0.22 115.11 117.85 1nkl h GLN 12 Ca -0.02 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.09 1nkl h GLN 12 Cb 0.18 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1nkl h GLN 12 CO 0.03 0.08 -0.40 -0.22 -0.95 0.00 0.00 178.83 177.36 1nkl h LYS 13 N 0.12 0.00 0.17 1.46 1.63 -1.35 -0.99 116.57 117.61 1nkl h LYS 13 Ca 0.18 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 1nkl h LYS 13 Cb 0.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1nkl h LYS 13 CO -0.28 0.40 -0.08 1.25 -3.45 0.00 0.00 179.45 177.29 1nkl h LEU 14 N 0.00 -0.19 -0.55 5.20 7.12 -0.83 -2.55 115.31 123.51 1nkl h LEU 14 Ca -0.00 -0.22 0.08 0.00 0.13 0.00 0.00 57.88 57.86 1nkl h LEU 14 Cb 0.80 0.05 -0.07 0.00 -0.53 0.00 0.00 40.66 40.91 1nkl h LEU 14 CO 0.05 0.13 0.19 -0.08 -0.13 0.00 0.00 178.44 178.60 1nkl h GLU 15 N -0.53 0.35 -0.15 1.25 4.81 -0.48 0.17 114.58 120.00 1nkl h GLU 15 Ca -0.02 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1nkl h GLU 15 Cb 0.40 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1nkl h GLU 15 CO 0.04 0.23 -0.09 0.22 -0.73 0.00 0.00 179.01 178.68 1nkl h ASP 16 N 0.36 -0.29 0.04 1.04 1.82 -1.26 -1.12 116.42 117.02 1nkl h ASP 16 Ca 0.27 0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.98 1nkl h ASP 16 Cb 0.32 0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.48 1nkl h ASP 16 CO -0.28 -0.12 -0.02 0.24 -1.61 0.00 0.00 179.24 177.45 1nkl h MET 17 N -0.08 -0.05 0.00 0.28 2.86 -0.86 -3.22 114.93 113.86 1nkl h MET 17 Ca 0.09 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1nkl h MET 17 Cb 0.21 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1nkl h MET 17 CO -0.21 0.62 -0.09 -0.24 1.06 0.00 0.00 176.91 178.05 1nkl h VAL 18 N -0.83 0.96 0.00 -2.22 3.04 -0.79 -3.49 116.25 112.92 1nkl h VAL 18 Ca -0.01 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1nkl h VAL 18 Cb 0.69 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 1nkl h VAL 18 CO 0.01 0.09 0.00 0.61 -1.01 0.00 0.00 177.57 177.27 1nkl n GLY 19 N -1.20 -1.12 0.00 3.17 0.00 -0.42 -4.40 105.19 101.22 1nkl n GLY 19 Ca -0.03 -1.61 0.14 0.00 0.00 0.00 0.00 46.02 44.52 1nkl n GLY 19 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nkl n PRO 20 N -1.06 0.77 -3.12 1.61 -0.04 -1.26 -4.06 135.00 127.83 1nkl n PRO 20 Ca 0.00 0.01 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 1nkl n PRO 20 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1nkl n PRO 20 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1nkl n GLN 21 N -1.06 1.22 -0.84 0.54 6.02 -1.26 -5.01 117.38 116.99 1nkl n GLN 21 Ca 0.19 -3.52 -0.04 0.00 -0.01 0.00 0.00 57.00 53.62 1nkl n GLN 21 Cb 0.12 -1.73 0.02 0.00 1.02 0.00 0.00 30.24 29.68 1nkl n GLN 21 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1nkl n PRO 22 N 0.20 0.33 -4.11 -1.09 -0.04 -1.26 -5.14 135.00 123.89 1nkl n PRO 22 Ca 0.25 -0.46 -0.08 0.00 -0.04 0.00 0.00 63.50 63.16 1nkl n PRO 22 Cb 0.65 -0.15 -0.10 0.00 -0.04 0.00 0.00 33.50 33.86 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 -1.76 0.60 0.34 3.54 2.20 -1.26 -4.99 114.94 113.61 1nkl s ASN 23 Ca 0.12 -1.03 0.14 0.00 -0.94 0.00 0.00 52.86 51.16 1nkl s ASN 23 Cb -0.01 0.19 1.11 0.00 -2.00 0.00 0.00 41.25 40.55 1nkl s ASN 23 CO 0.08 -0.59 1.61 -0.08 -2.94 0.00 0.00 177.10 175.18 1nkl h GLU 24 N 3.08 0.10 0.29 3.55 4.57 -1.99 0.20 114.58 124.38 1nkl h GLU 24 Ca -0.34 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.82 1nkl h GLU 24 Cb 1.15 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1nkl h GLU 24 CO 0.65 0.07 -0.14 0.22 -1.18 0.00 0.00 179.01 178.63 1nkl h ASP 25 N 0.10 -0.32 -0.61 1.04 3.58 -1.99 -2.54 116.42 115.69 1nkl h ASP 25 Ca 0.75 -0.19 0.05 0.00 0.42 0.00 0.00 57.03 58.06 1nkl h ASP 25 Cb 1.81 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 42.91 1nkl h ASP 25 CO -0.75 0.15 0.40 0.74 -2.88 0.00 0.00 179.24 176.91 1nkl h THR 26 N -0.96 1.03 -0.21 2.25 2.02 -1.71 0.18 112.91 115.52 1nkl h THR 26 Ca -0.04 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 1nkl h THR 26 Cb 0.49 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1nkl h THR 26 CO 0.06 0.12 -0.03 0.58 0.37 0.00 0.00 175.52 176.62 1nkl h VAL 27 N 0.64 1.28 -0.01 3.16 2.07 -1.09 0.06 116.25 122.36 1nkl h VAL 27 Ca 0.25 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.82 1nkl h VAL 27 Cb 0.19 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1nkl h VAL 27 CO -0.07 0.30 -0.20 0.74 0.02 0.00 0.00 177.57 178.35 1nkl h THR 28 N 0.13 0.52 0.05 2.57 2.02 -0.31 0.10 112.91 117.99 1nkl h THR 28 Ca 0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 1nkl h THR 28 Cb 0.47 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1nkl h THR 28 CO 0.02 0.00 -0.02 0.06 0.37 0.00 0.00 175.52 175.94 1nkl h GLN 29 N -0.32 -0.06 -0.41 6.66 3.07 -0.94 -2.03 115.11 121.07 1nkl h GLN 29 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.78 1nkl h GLN 29 Cb 0.40 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.96 1nkl h GLN 29 CO -0.20 0.36 0.15 0.00 0.09 0.00 0.00 178.83 179.23 1nkl h ALA 30 N 0.40 1.49 0.03 0.06 0.00 -0.89 -2.16 119.26 118.19 1nkl h ALA 30 Ca -0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1nkl h ALA 30 Cb 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1nkl h ALA 30 CO 0.01 0.39 -0.19 0.00 0.00 0.00 0.00 179.25 179.46 1nkl h ALA 31 N 1.58 -0.02 -0.37 0.00 0.00 -0.82 0.47 119.26 120.10 1nkl h ALA 31 Ca 0.14 -0.53 0.09 0.00 0.00 0.00 0.00 54.91 54.61 1nkl h ALA 31 Cb 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1nkl h ALA 31 CO -0.01 0.08 0.26 0.66 0.00 0.00 0.00 179.25 180.23 1nkl h SER 32 N -0.81 0.09 0.79 0.00 4.64 -1.25 -0.13 113.55 116.88 1nkl h SER 32 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1nkl h SER 32 Cb 1.12 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1nkl h SER 32 CO 0.04 0.06 -1.04 0.00 -0.87 0.00 0.00 176.83 175.01 1nkl n GLN 33 N -4.45 0.51 -0.36 4.77 1.13 -0.82 -3.21 117.38 114.95 1nkl n GLN 33 Ca 0.05 0.07 0.01 0.00 -1.94 0.00 0.00 57.00 55.19 1nkl n GLN 33 Cb 0.37 -1.74 0.16 0.00 0.11 0.00 0.00 30.24 29.15 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 1.17 -0.02 5.09 3.04 0.18 0.87 116.25 126.58 1nkl h VAL 34 Ca 0.00 -0.42 -0.01 0.00 -1.01 0.00 0.00 66.70 65.26 1nkl h VAL 34 Cb 0.92 -0.17 -0.00 0.00 -2.01 0.00 0.00 31.29 30.02 1nkl h VAL 34 CO 0.00 0.23 -0.01 0.00 -1.01 0.00 0.00 177.57 176.77 1nkl h ASP 36 N -0.35 0.37 -0.01 0.00 3.58 -1.32 -2.86 116.42 115.83 1nkl h ASP 36 Ca 0.01 0.10 -0.21 0.00 0.42 0.00 0.00 57.03 57.34 1nkl h ASP 36 Cb 0.44 0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.55 1nkl h ASP 36 CO 0.00 0.15 -0.78 0.50 -2.88 0.00 0.00 179.24 176.23 1nkl h LYS 37 N 0.51 0.67 -5.90 0.28 3.64 -0.63 -3.37 116.57 111.78 1nkl h LYS 37 Ca 0.43 -0.56 -0.51 0.00 -1.27 0.00 0.00 60.65 58.73 1nkl h LYS 37 Cb 0.62 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.49 1nkl h LYS 37 CO -0.38 1.17 1.41 -0.51 -2.27 0.00 0.00 179.45 178.87 1nkl s LEU 38 N -8.25 3.44 0.73 5.20 1.43 0.36 -5.00 118.68 116.58 1nkl s LEU 38 Ca -0.09 -1.48 -0.11 0.00 -1.03 0.00 0.00 54.13 51.42 1nkl s LEU 38 Cb 0.09 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.76 1nkl s LEU 38 CO 0.89 -1.91 1.09 -1.59 0.23 0.00 0.00 176.35 175.05 1nkl s LYS 39 N 5.49 2.70 0.00 1.70 0.00 -1.26 -1.75 119.74 126.62 1nkl s LYS 39 Ca 0.56 0.60 0.00 0.00 0.00 0.00 0.00 55.97 57.13 1nkl s LYS 39 Cb -0.01 -1.99 0.00 0.00 0.00 0.00 0.00 37.83 35.83 1nkl s LYS 39 CO -0.02 -1.18 0.00 -0.89 0.00 0.00 0.00 175.35 173.26 1nkl n ILE 40 N -3.13 0.00 1.59 3.79 2.08 -1.26 -4.38 119.36 118.05 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 0.07 0.00 -0.75 0.00 0.00 39.64 39.52 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 0.69 0.16 1.39 7.94 -1.23 -4.23 117.00 121.73 1nkl n LEU 41 Ca 0.00 -0.34 -0.14 0.00 -1.11 0.00 0.00 56.01 54.42 1nkl n LEU 41 Cb 0.00 -0.09 -0.07 0.00 0.53 0.00 0.00 43.42 43.80 1nkl n LEU 41 CO 0.00 0.17 0.74 -0.09 -1.11 0.00 0.00 177.39 177.11 1nkl h ARG 42 N 0.75 -0.41 -0.37 1.96 2.43 -1.50 -1.75 114.38 115.50 1nkl h ARG 42 Ca 0.00 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1nkl h ARG 42 Cb 0.17 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1nkl h ARG 42 CO 0.00 -0.28 0.17 0.78 -1.51 0.00 0.00 179.97 179.13 1nkl h GLY 43 N -0.43 0.54 0.40 2.80 0.00 -1.88 -0.21 103.07 104.30 1nkl h GLY 43 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1nkl h GLY 43 CO -0.01 0.23 -0.19 -2.00 0.00 0.00 0.00 176.54 174.57 1nkl h LEU 44 N 0.51 -0.46 -0.14 3.11 7.12 -1.64 -1.79 115.31 122.03 1nkl h LEU 44 Ca 0.13 0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.20 1nkl h LEU 44 Cb 0.07 0.12 -0.07 0.00 -0.53 0.00 0.00 40.66 40.25 1nkl h LEU 44 CO -0.02 -0.07 -0.39 0.00 -0.13 0.00 0.00 178.44 177.83 1nkl h LYS 46 N -0.46 1.03 -0.66 0.00 1.57 -1.10 -0.19 116.57 116.76 1nkl h LYS 46 Ca 0.08 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1nkl h LYS 46 Cb 0.61 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1nkl h LYS 46 CO -0.39 0.68 0.07 -0.22 -0.57 0.00 0.00 179.45 179.02 1nkl h LYS 47 N 1.06 1.11 0.58 3.15 3.64 -0.81 0.22 116.57 125.52 1nkl h LYS 47 Ca 0.40 -0.32 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1nkl h LYS 47 Cb 0.18 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1nkl h LYS 47 CO -0.15 1.04 -0.36 0.82 -2.27 0.00 0.00 179.45 178.52 1nkl h ILE 48 N 1.03 0.26 -0.82 2.00 2.04 -0.30 -2.94 117.51 118.77 1nkl h ILE 48 Ca 0.19 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.09 1nkl h ILE 48 Cb 0.49 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 1nkl h ILE 48 CO 0.02 0.00 0.54 0.24 0.00 0.00 0.00 178.15 178.95 1nkl h MET 49 N -0.89 0.99 -0.49 2.37 2.86 -0.94 0.89 114.93 119.71 1nkl h MET 49 Ca -0.07 -0.06 0.08 0.00 -2.06 0.00 0.00 59.70 57.60 1nkl h MET 49 Cb 0.73 -0.22 -0.07 0.00 0.06 0.00 0.00 31.60 32.10 1nkl h MET 49 CO 0.06 0.65 0.09 -0.09 1.06 0.00 0.00 176.91 178.69 1nkl h ARG 50 N 1.02 0.22 0.00 1.72 1.12 -0.87 -1.32 114.38 116.27 1nkl h ARG 50 Ca 0.33 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.19 1nkl h ARG 50 Cb 0.04 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 29.95 1nkl h ARG 50 CO -0.10 0.14 -1.01 0.45 -3.11 0.00 0.00 179.97 176.35 1nkl n SER 51 N -5.12 0.62 -2.69 -3.80 2.88 -0.51 -4.53 113.62 100.47 1nkl n SER 51 Ca 0.05 -0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1nkl n SER 51 Cb 0.24 0.75 0.05 0.00 -0.75 0.00 0.00 64.21 64.50 1nkl n SER 51 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1nkl n PHE 52 N -1.99 1.00 0.23 0.66 3.72 0.19 -4.99 117.46 116.28 1nkl n PHE 52 Ca 0.02 -1.95 -0.10 0.00 -0.05 0.00 0.00 57.45 55.37 1nkl n PHE 52 Cb 0.44 -0.15 -0.05 0.00 -0.94 0.00 0.00 39.48 38.78 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 2.37 -0.62 -1.70 4.37 7.12 -1.44 -1.82 115.31 123.60 1nkl h LEU 53 Ca -0.16 0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.88 1nkl h LEU 53 Cb 1.34 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.64 1nkl h LEU 53 CO 0.16 -0.39 0.00 -0.09 -0.13 0.00 0.00 178.44 177.98 1nkl h ARG 54 N -0.63 0.00 0.10 1.25 2.43 -1.94 -1.21 114.38 114.38 1nkl h ARG 54 Ca -0.06 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1nkl h ARG 54 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1nkl h ARG 54 CO 0.07 0.00 -0.05 0.00 -1.51 0.00 0.00 179.97 178.48 1nkl h ARG 55 N 0.00 -0.14 -0.38 0.20 2.47 -1.83 -0.80 114.38 113.90 1nkl h ARG 55 Ca 0.00 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.81 1nkl h ARG 55 Cb 0.34 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1nkl h ARG 55 CO 0.00 0.09 0.27 0.82 0.56 0.00 0.00 179.97 181.71 1nkl h ILE 56 N -0.35 0.89 0.41 2.04 5.03 -0.40 0.17 117.51 125.31 1nkl h ILE 56 Ca -0.01 -0.05 -0.02 0.00 -0.12 0.00 0.00 64.86 64.65 1nkl h ILE 56 Cb 0.29 0.72 0.00 0.00 -3.03 0.00 0.00 36.82 34.80 1nkl h ILE 56 CO 0.02 0.03 -0.20 -1.28 -0.68 0.00 0.00 178.15 176.04 1nkl h SER 57 N 0.16 -0.47 -0.79 1.72 0.87 -1.12 -2.44 113.55 111.47 1nkl h SER 57 Ca 0.18 -0.10 0.18 0.00 -1.23 0.00 0.00 61.79 60.81 1nkl h SER 57 Cb 0.50 0.12 -0.14 0.00 -0.44 0.00 0.00 62.40 62.44 1nkl h SER 57 CO -0.03 -0.06 -0.06 -0.25 -0.53 0.00 0.00 176.83 175.91 1nkl h TRP 58 N -1.00 -0.17 -0.13 2.24 7.01 -0.59 0.52 115.95 123.84 1nkl h TRP 58 Ca -0.06 0.06 0.04 0.00 2.11 0.00 0.00 58.89 61.05 1nkl h TRP 58 Cb 0.55 0.20 -0.07 0.00 -2.10 0.00 0.00 29.16 27.74 1nkl h TRP 58 CO 0.02 -0.30 -0.41 -0.44 -2.79 0.00 0.00 178.44 174.52 1nkl h ASP 59 N 0.06 -1.30 -0.16 2.65 3.32 -0.90 0.10 116.42 120.19 1nkl h ASP 59 Ca 0.42 0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.64 1nkl h ASP 59 Cb 0.73 0.53 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1nkl h ASP 59 CO -0.74 -0.42 0.08 0.40 -1.72 0.00 0.00 179.24 176.84 1nkl h ILE 60 N -0.49 1.11 -0.01 0.35 1.08 -0.76 -1.46 117.51 117.33 1nkl h ILE 60 Ca 0.08 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 1nkl h ILE 60 Cb 0.62 1.01 -0.00 0.00 -3.07 0.00 0.00 36.82 35.38 1nkl h ILE 60 CO -0.39 0.10 -0.04 -0.07 -0.69 0.00 0.00 178.15 177.06 1nkl h LEU 61 N 0.15 0.01 -2.00 1.44 3.38 -0.51 0.16 115.31 117.94 1nkl h LEU 61 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1nkl h LEU 61 Cb 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1nkl h LEU 61 CO -0.01 0.05 0.00 0.35 0.09 0.00 0.00 178.44 178.92 1nkl n THR 62 N -4.49 1.09 -4.28 0.22 -2.24 0.31 -4.94 114.28 99.95 1nkl n THR 62 Ca -0.03 -0.66 -0.32 0.00 -2.27 0.00 0.00 64.05 60.77 1nkl n THR 62 Cb 0.13 -0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.68 -0.16 3.82 3.38 0.00 0.54 -4.91 105.19 108.55 1nkl n GLY 63 Ca 0.14 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 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 -7.20 4.17 0.69 1.61 2.20 -0.55 -5.02 119.74 115.64 1nkl s LYS 64 Ca 0.13 0.73 -0.12 0.00 -0.36 0.00 0.00 55.97 56.34 1nkl s LYS 64 Cb -0.08 -3.01 0.01 0.00 -1.51 0.00 0.00 37.83 33.25 1nkl s LYS 64 CO 0.97 0.50 1.08 0.15 -0.36 0.00 0.00 175.35 177.68 1nkl s LYS 65 N -1.70 2.76 0.11 4.03 3.01 -1.26 -4.78 119.74 121.91 1nkl s LYS 65 Ca 0.37 1.16 -0.21 0.00 -1.01 0.00 0.00 55.97 56.28 1nkl s LYS 65 Cb -0.17 -1.96 -0.09 0.00 -1.01 0.00 0.00 37.83 34.59 1nkl s LYS 65 CO 0.20 -1.25 1.75 -1.00 0.51 0.00 0.00 175.35 175.56 1nkl h PRO 66 N -0.48 0.18 -0.99 -1.68 0.13 -1.95 0.46 132.00 127.67 1nkl h PRO 66 Ca -0.45 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.72 1nkl h PRO 66 Cb 1.23 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1nkl h PRO 66 CO 0.55 0.13 0.64 0.37 -0.23 0.00 0.00 178.00 179.46 1nkl h GLN 67 N 0.18 1.17 0.16 0.86 5.75 -1.93 -0.75 115.11 120.54 1nkl h GLN 67 Ca 0.05 -0.07 -0.30 0.00 -0.15 0.00 0.00 58.65 58.18 1nkl h GLN 67 Cb -0.01 -0.26 0.02 0.00 1.07 0.00 0.00 27.48 28.30 1nkl h GLN 67 CO -0.01 0.77 -1.30 0.00 -2.65 0.00 0.00 178.83 175.64 1nkl h ALA 68 N 1.44 -0.00 0.09 3.38 0.00 -1.82 -3.06 119.26 119.28 1nkl h ALA 68 Ca 0.41 -0.83 0.02 0.00 0.00 0.00 0.00 54.91 54.51 1nkl h ALA 68 Cb 0.09 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1nkl h ALA 68 CO -0.15 0.77 -0.47 0.82 0.00 0.00 0.00 179.25 180.23 1nkl h ILE 69 N 0.18 0.09 -0.90 0.00 2.04 -0.16 -0.17 117.51 118.59 1nkl h ILE 69 Ca -0.19 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.72 1nkl h ILE 69 Cb 1.99 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 1nkl h ILE 69 CO 0.24 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.97 1nkl h VAL 71 N 1.08 1.30 -0.41 0.00 2.07 -1.36 0.36 116.25 119.29 1nkl h VAL 71 Ca 0.37 -1.52 0.07 0.00 0.82 0.00 0.00 66.70 66.44 1nkl h VAL 71 Cb 0.10 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 1nkl h VAL 71 CO -0.12 0.49 0.03 -0.78 0.02 0.00 0.00 177.57 177.20 1nkl h ASP 72 N 0.52 -0.11 0.06 0.57 1.82 -0.07 -0.56 116.42 118.65 1nkl h ASP 72 Ca 0.04 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 1nkl h ASP 72 Cb 0.93 0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.08 1nkl h ASP 72 CO 0.08 -0.02 -0.03 2.30 -1.61 0.00 0.00 179.24 179.97 1nkl n ILE 73 N -5.17 0.00 -2.51 2.25 -5.35 -0.70 -4.97 119.36 102.90 1nkl n ILE 73 Ca 0.03 -0.14 -0.02 0.00 -0.27 0.00 0.00 62.75 62.35 1nkl n ILE 73 Cb 0.21 0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.19 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 -0.41 -1.17 0.00 6.28 4.81 -0.22 -5.02 118.16 122.44 1nkl n LYS 74 Ca 0.20 1.34 0.00 0.00 -0.87 0.00 0.00 58.31 58.98 1nkl n LYS 74 Cb 0.26 -4.40 0.00 0.00 0.02 0.00 0.00 35.03 30.91 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 -1.10 0.00 0.00 3.15 5.41 0.12 -4.90 119.36 122.04 1nkl n ILE 75 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1nkl n ILE 75 Cb 0.43 0.07 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 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 3.73 0.00 0.00 0.00 -1.26 -4.54 118.16 116.09 1nkl n LYS 77 Ca 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 58.31 55.24 1nkl n LYS 77 Cb 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 35.03 32.13 1nkl n LYS 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79