#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkl h TYR 2 N 0.00 0.61 -0.92 1.61 3.20 -1.92 -2.00 116.97 117.55 1nkl h TYR 2 Ca 0.00 0.02 0.36 0.00 3.14 0.00 0.00 58.73 62.25 1nkl h TYR 2 Cb 0.00 -0.18 -0.13 0.00 1.54 0.00 0.00 36.73 37.96 1nkl h TYR 2 CO 0.00 0.07 0.54 1.19 -1.64 0.00 0.00 178.16 178.31 1nkl n PHE 3 N -4.59 0.80 0.08 -3.82 3.72 -1.26 -0.79 117.46 111.60 1nkl n PHE 3 Ca 0.25 0.81 -0.13 0.00 -0.05 0.00 0.00 57.45 58.33 1nkl n PHE 3 Cb 0.88 -1.23 -0.07 0.00 -0.94 0.00 0.00 39.48 38.12 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 -0.17 0.08 0.08 0.00 4.22 -1.18 -0.02 114.58 117.60 1nkl h GLU 5 Ca -0.01 -0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.43 1nkl h GLU 5 Cb 0.13 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1nkl h GLU 5 CO 0.02 0.07 -0.49 0.77 -2.18 0.00 0.00 179.01 177.19 1nkl h SER 6 N 0.08 -1.50 -0.59 1.04 0.02 -1.18 -0.30 113.55 111.12 1nkl h SER 6 Ca 0.02 0.16 0.09 0.00 -0.84 0.00 0.00 61.79 61.22 1nkl h SER 6 Cb 0.00 0.56 -0.07 0.00 0.14 0.00 0.00 62.40 63.03 1nkl h SER 6 CO -0.00 -0.51 0.21 0.00 -1.14 0.00 0.00 176.83 175.38 1nkl h ARG 8 N 0.38 -0.08 -0.76 0.00 2.43 -0.43 -0.22 114.38 115.70 1nkl h ARG 8 Ca 0.29 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.56 1nkl h ARG 8 Cb 0.36 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.86 1nkl h ARG 8 CO -0.30 -0.06 0.41 -0.22 -1.51 0.00 0.00 179.97 178.29 1nkl h LYS 9 N -0.09 0.68 0.58 0.20 1.63 -0.03 0.90 116.57 120.45 1nkl h LYS 9 Ca 0.04 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1nkl h LYS 9 Cb 0.14 -0.15 0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1nkl h LYS 9 CO -0.10 0.45 -0.28 0.82 -3.45 0.00 0.00 179.45 176.90 1nkl h ILE 10 N 0.70 0.32 -0.49 2.00 2.04 -0.25 -2.14 117.51 119.70 1nkl h ILE 10 Ca 0.36 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1nkl h ILE 10 Cb 0.33 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1nkl h ILE 10 CO -0.24 0.04 0.23 0.40 0.00 0.00 0.00 178.15 178.57 1nkl h ILE 11 N -0.99 1.20 -0.35 -0.67 1.08 -0.97 -2.50 117.51 114.30 1nkl h ILE 11 Ca -0.08 -0.57 0.06 0.00 -0.39 0.00 0.00 64.86 63.88 1nkl h ILE 11 Cb 0.65 0.66 -0.05 0.00 -3.07 0.00 0.00 36.82 35.01 1nkl h ILE 11 CO 0.13 0.22 0.03 1.56 -0.69 0.00 0.00 178.15 179.40 1nkl h GLN 12 N 0.65 0.13 0.00 2.37 1.08 -0.74 0.28 115.11 118.88 1nkl h GLN 12 Ca 0.17 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.29 1nkl h GLN 12 Cb 0.14 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1nkl h GLN 12 CO -0.02 0.09 -0.34 -0.22 -0.95 0.00 0.00 178.83 177.39 1nkl h LYS 13 N 0.14 0.00 -0.14 1.46 1.63 -1.31 -1.29 116.57 117.05 1nkl h LYS 13 Ca 0.17 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.81 1nkl h LYS 13 Cb 0.22 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.86 1nkl h LYS 13 CO -0.26 0.34 -0.52 1.25 -3.45 0.00 0.00 179.45 176.81 1nkl h LEU 14 N 0.00 0.70 0.21 5.20 5.85 -0.64 -1.49 115.31 125.15 1nkl h LEU 14 Ca -0.00 -0.61 -0.01 0.00 0.84 0.00 0.00 57.88 58.10 1nkl h LEU 14 Cb 0.64 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1nkl h LEU 14 CO 0.04 1.20 -0.13 -0.08 -0.34 0.00 0.00 178.44 179.13 1nkl h GLU 15 N 0.25 -0.31 -0.49 1.25 4.81 -0.39 0.14 114.58 119.84 1nkl h GLU 15 Ca -0.02 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1nkl h GLU 15 Cb 1.15 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.55 1nkl h GLU 15 CO 0.11 -0.21 0.20 0.22 -0.73 0.00 0.00 179.01 178.61 1nkl h ASP 16 N -0.32 0.25 0.59 1.04 1.82 -1.33 -2.19 116.42 116.27 1nkl h ASP 16 Ca -0.02 0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.64 1nkl h ASP 16 Cb 0.27 0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.30 1nkl h ASP 16 CO 0.02 0.17 -0.28 0.24 -1.61 0.00 0.00 179.24 177.78 1nkl h MET 17 N 0.40 -0.76 -0.55 0.28 2.86 -0.87 -3.25 114.93 113.03 1nkl h MET 17 Ca 0.23 0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.90 1nkl h MET 17 Cb 0.21 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 1nkl h MET 17 CO -0.21 -0.47 0.24 -0.24 1.06 0.00 0.00 176.91 177.29 1nkl h VAL 18 N -1.15 1.19 0.00 -2.22 3.04 -0.77 -3.48 116.25 112.86 1nkl h VAL 18 Ca -0.08 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 1nkl h VAL 18 Cb 0.64 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 1nkl h VAL 18 CO 0.13 0.23 0.00 0.61 -1.01 0.00 0.00 177.57 177.53 1nkl n GLY 19 N -1.13 0.50 3.75 3.17 0.00 -0.82 -4.85 105.19 105.81 1nkl n GLY 19 Ca 0.05 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 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 0.91 0.00 1.61 0.04 -1.26 -4.67 135.00 131.62 1nkl s PRO 20 Ca 0.00 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.38 1nkl s PRO 20 Cb 0.00 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1nkl s PRO 20 CO 0.00 -2.37 0.00 1.04 0.04 0.00 0.00 177.00 175.71 1nkl n GLN 21 N -3.89 0.00 -1.71 4.56 3.00 -1.26 -4.91 117.38 113.17 1nkl n GLN 21 Ca 0.06 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.80 1nkl n GLN 21 Cb 0.59 0.00 0.17 0.00 0.00 0.00 0.00 30.24 31.00 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 -0.07 -1.07 -4.13 -1.09 -0.04 -1.26 -5.12 135.00 122.23 1nkl n PRO 22 Ca 0.00 -1.84 -0.09 0.00 -0.04 0.00 0.00 63.50 61.54 1nkl n PRO 22 Cb 0.00 -1.16 -0.10 0.00 -0.04 0.00 0.00 33.50 32.20 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 -5.21 0.68 0.34 3.54 2.20 -1.26 -4.96 114.94 110.27 1nkl s ASN 23 Ca 0.65 -1.03 0.14 0.00 -0.94 0.00 0.00 52.86 51.68 1nkl s ASN 23 Cb -0.02 0.18 1.12 0.00 -2.00 0.00 0.00 41.25 40.53 1nkl s ASN 23 CO 0.46 -0.58 1.60 -0.08 -2.94 0.00 0.00 177.10 175.56 1nkl h GLU 24 N 3.05 0.09 0.31 3.55 4.57 -1.99 0.07 114.58 124.23 1nkl h GLU 24 Ca -0.35 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.81 1nkl h GLU 24 Cb 1.16 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1nkl h GLU 24 CO 0.65 0.06 -0.15 0.22 -1.18 0.00 0.00 179.01 178.61 1nkl h ASP 25 N 0.09 -0.35 -0.81 1.04 3.58 -1.99 -2.68 116.42 115.30 1nkl h ASP 25 Ca 0.75 -0.18 0.09 0.00 0.42 0.00 0.00 57.03 58.11 1nkl h ASP 25 Cb 1.82 0.09 -0.06 0.00 1.72 0.00 0.00 39.33 42.91 1nkl h ASP 25 CO -0.75 0.10 0.53 0.74 -2.88 0.00 0.00 179.24 176.98 1nkl h THR 26 N -0.94 0.96 -0.15 2.25 2.02 -1.55 0.20 112.91 115.70 1nkl h THR 26 Ca -0.04 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 1nkl h THR 26 Cb 0.51 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1nkl h THR 26 CO 0.07 0.14 -0.01 0.58 0.37 0.00 0.00 175.52 176.67 1nkl h VAL 27 N 0.78 1.26 -0.08 3.16 2.07 -1.14 0.24 116.25 122.54 1nkl h VAL 27 Ca 0.37 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1nkl h VAL 27 Cb 0.41 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1nkl h VAL 27 CO -0.14 0.26 -0.14 0.74 0.02 0.00 0.00 177.57 178.30 1nkl h THR 28 N -0.00 0.63 -0.03 2.57 2.02 -0.37 0.85 112.91 118.58 1nkl h THR 28 Ca 0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1nkl h THR 28 Cb 0.39 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 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 -0.19 0.06 -0.64 6.66 3.07 -0.87 -1.04 115.11 122.16 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 0.30 -0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.83 1nkl h GLN 29 CO -0.20 0.50 0.38 0.00 0.09 0.00 0.00 178.83 179.61 1nkl h ALA 30 N 0.56 1.47 0.01 0.06 0.00 -0.84 -2.03 119.26 118.48 1nkl h ALA 30 Ca 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1nkl h ALA 30 Cb 0.48 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1nkl h ALA 30 CO 0.01 0.46 -0.12 0.00 0.00 0.00 0.00 179.25 179.59 1nkl h ALA 31 N 1.54 0.01 -0.38 0.00 0.00 -0.84 0.49 119.26 120.07 1nkl h ALA 31 Ca 0.23 -0.45 0.08 0.00 0.00 0.00 0.00 54.91 54.77 1nkl h ALA 31 Cb -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1nkl h ALA 31 CO -0.04 0.00 0.26 0.66 0.00 0.00 0.00 179.25 180.13 1nkl h SER 32 N -0.71 0.14 0.79 0.00 4.64 -0.99 0.02 113.55 117.45 1nkl h SER 32 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1nkl h SER 32 Cb 0.94 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1nkl h SER 32 CO 0.02 0.09 -0.99 0.00 -0.87 0.00 0.00 176.83 175.08 1nkl n GLN 33 N -4.46 0.48 -0.32 4.77 1.13 -0.78 -2.94 117.38 115.26 1nkl n GLN 33 Ca 0.05 0.07 -0.04 0.00 -1.94 0.00 0.00 57.00 55.15 1nkl n GLN 33 Cb 0.34 -1.73 0.08 0.00 0.11 0.00 0.00 30.24 29.04 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 1.23 0.04 5.09 3.04 0.19 -1.67 116.25 124.18 1nkl h VAL 34 Ca 0.00 -0.46 -0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1nkl h VAL 34 Cb 0.89 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.17 1nkl h VAL 34 CO 0.00 0.23 -0.02 0.00 -1.01 0.00 0.00 177.57 176.77 1nkl h ASP 36 N -0.48 0.63 -0.02 0.00 3.58 -1.40 -2.21 116.42 116.53 1nkl h ASP 36 Ca -0.01 0.09 -0.22 0.00 0.42 0.00 0.00 57.03 57.32 1nkl h ASP 36 Cb 0.43 -0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.47 1nkl h ASP 36 CO 0.01 0.25 -0.79 0.50 -2.88 0.00 0.00 179.24 176.34 1nkl h LYS 37 N 0.69 0.68 -6.02 0.28 3.64 -1.20 -3.40 116.57 111.23 1nkl h LYS 37 Ca 0.50 -0.57 -0.47 0.00 -1.27 0.00 0.00 60.65 58.84 1nkl h LYS 37 Cb 0.72 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.61 1nkl h LYS 37 CO -0.37 1.18 1.17 -0.51 -2.27 0.00 0.00 179.45 178.65 1nkl s LEU 38 N -8.26 3.26 0.64 5.20 1.43 0.05 -4.98 118.68 116.02 1nkl s LEU 38 Ca -0.09 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 1nkl s LEU 38 Cb 0.09 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 1nkl s LEU 38 CO 0.89 -2.24 1.04 -1.59 0.23 0.00 0.00 176.35 174.67 1nkl s LYS 39 N 6.51 3.36 0.00 1.70 0.00 -1.26 -1.49 119.74 128.56 1nkl s LYS 39 Ca 0.58 0.88 0.00 0.00 0.00 0.00 0.00 55.97 57.43 1nkl s LYS 39 Cb -0.09 -2.05 0.00 0.00 0.00 0.00 0.00 37.83 35.69 1nkl s LYS 39 CO 0.11 -0.76 0.00 -0.89 0.00 0.00 0.00 175.35 173.81 1nkl n ILE 40 N -2.74 0.00 1.61 3.79 5.41 -1.26 -4.45 119.36 121.73 1nkl n ILE 40 Ca 0.07 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.85 1nkl n ILE 40 Cb 0.54 0.00 0.14 0.00 -0.71 0.00 0.00 39.64 39.61 1nkl n ILE 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1nkl n LEU 41 N 0.00 0.67 -0.06 1.39 7.94 -1.22 -4.19 117.00 121.54 1nkl n LEU 41 Ca 0.00 -0.33 -0.09 0.00 -1.11 0.00 0.00 56.01 54.49 1nkl n LEU 41 Cb 0.00 -0.08 -0.02 0.00 0.53 0.00 0.00 43.42 43.86 1nkl n LEU 41 CO 0.00 0.16 0.94 -0.09 -1.11 0.00 0.00 177.39 177.29 1nkl h ARG 42 N 0.77 0.23 -0.30 1.96 2.43 -1.41 -0.68 114.38 117.38 1nkl h ARG 42 Ca 0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1nkl h ARG 42 Cb 0.17 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1nkl h ARG 42 CO 0.00 0.15 0.17 0.78 -1.51 0.00 0.00 179.97 179.57 1nkl h GLY 43 N 0.24 0.44 0.82 2.80 0.00 -1.88 0.32 103.07 105.80 1nkl h GLY 43 Ca 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1nkl h GLY 43 CO -0.09 0.18 0.00 -2.00 0.00 0.00 0.00 176.54 174.64 1nkl h LEU 44 N 0.38 0.01 0.66 3.11 7.12 -1.75 -0.57 115.31 124.27 1nkl h LEU 44 Ca 0.11 -0.18 -0.03 0.00 0.13 0.00 0.00 57.88 57.91 1nkl h LEU 44 Cb 0.03 -0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.14 1nkl h LEU 44 CO -0.02 0.19 -0.47 0.00 -0.13 0.00 0.00 178.44 178.02 1nkl h LYS 46 N -1.08 0.90 0.42 0.00 1.57 -0.80 0.76 116.57 118.33 1nkl h LYS 46 Ca -0.08 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1nkl h LYS 46 Cb 0.89 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1nkl h LYS 46 CO 0.04 0.60 -0.20 -0.22 -0.57 0.00 0.00 179.45 179.10 1nkl h LYS 47 N 0.93 -0.54 -0.25 3.15 3.11 -0.95 -0.93 116.57 121.08 1nkl h LYS 47 Ca 0.43 0.04 0.05 0.00 -2.81 0.00 0.00 60.65 58.36 1nkl h LYS 47 Cb 0.40 0.12 -0.05 0.00 -1.00 0.00 0.00 32.23 31.70 1nkl h LYS 47 CO -0.19 -0.33 -0.09 0.82 -2.81 0.00 0.00 179.45 176.84 1nkl h ILE 48 N -0.60 0.68 0.06 2.00 2.04 -0.15 0.14 117.51 121.68 1nkl h ILE 48 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1nkl h ILE 48 Cb 0.45 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1nkl h ILE 48 CO 0.09 0.00 -0.05 0.24 0.00 0.00 0.00 178.15 178.43 1nkl h MET 49 N -0.04 -0.12 -0.63 2.37 2.86 -0.87 0.43 114.93 118.94 1nkl h MET 49 Ca 0.13 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1nkl h MET 49 Cb 0.24 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1nkl h MET 49 CO -0.29 -0.08 0.28 -0.09 1.06 0.00 0.00 176.91 177.80 1nkl h ARG 50 N -0.12 0.91 -0.06 1.72 9.65 -0.85 0.29 114.38 125.92 1nkl h ARG 50 Ca 0.00 -0.15 -0.09 0.00 -1.10 0.00 0.00 59.98 58.65 1nkl h ARG 50 Cb 0.11 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 1nkl h ARG 50 CO -0.01 0.75 -0.36 1.03 2.80 0.00 0.00 179.97 184.18 1nkl h SER 51 N 0.86 0.13 -0.44 -3.80 0.87 -0.65 -3.35 113.55 107.18 1nkl h SER 51 Ca 0.21 -0.05 -0.24 0.00 -1.23 0.00 0.00 61.79 60.48 1nkl h SER 51 Cb 0.15 -0.03 -0.37 0.00 -0.44 0.00 0.00 62.40 61.70 1nkl h SER 51 CO -0.02 0.48 -1.04 0.49 -0.53 0.00 0.00 176.83 176.21 1nkl n PHE 52 N -4.08 0.90 0.39 2.24 3.72 0.11 -4.99 117.46 115.75 1nkl n PHE 52 Ca -0.02 -2.16 -0.19 0.00 -0.05 0.00 0.00 57.45 55.04 1nkl n PHE 52 Cb 0.42 -0.06 -0.09 0.00 -0.94 0.00 0.00 39.48 38.81 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 2.49 -1.09 -1.00 4.37 7.12 -1.08 -0.33 115.31 125.79 1nkl h LEU 53 Ca -0.17 0.06 0.22 0.00 0.13 0.00 0.00 57.88 58.12 1nkl h LEU 53 Cb 1.27 0.32 -0.12 0.00 -0.53 0.00 0.00 40.66 41.60 1nkl h LEU 53 CO 0.17 -0.67 0.60 -0.09 -0.13 0.00 0.00 178.44 178.32 1nkl h ARG 54 N -1.07 0.64 0.42 1.25 1.12 -1.93 -0.18 114.38 114.63 1nkl h ARG 54 Ca -0.09 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.72 1nkl h ARG 54 Cb 0.86 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.68 1nkl h ARG 54 CO 0.10 0.42 -0.20 0.00 -3.11 0.00 0.00 179.97 177.18 1nkl h ARG 55 N 0.66 -0.54 -0.12 0.20 3.08 -1.69 -1.67 114.38 114.31 1nkl h ARG 55 Ca 0.61 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.70 1nkl h ARG 55 Cb 1.07 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1nkl h ARG 55 CO -0.44 -0.25 0.08 0.82 -1.07 0.00 0.00 179.97 179.11 1nkl h ILE 56 N -0.78 1.03 0.01 2.04 1.08 0.55 0.17 117.51 121.62 1nkl h ILE 56 Ca -0.06 -0.05 -0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1nkl h ILE 56 Cb 0.54 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 1nkl h ILE 56 CO 0.09 0.03 -0.01 -1.28 -0.69 0.00 0.00 178.15 176.30 1nkl h SER 57 N 0.16 -0.02 -0.41 1.72 0.87 -1.06 -1.49 113.55 113.33 1nkl h SER 57 Ca 0.04 -0.41 0.09 0.00 -1.23 0.00 0.00 61.79 60.28 1nkl h SER 57 Cb -0.02 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 61.86 1nkl h SER 57 CO -0.01 0.41 -0.19 -0.25 -0.53 0.00 0.00 176.83 176.26 1nkl h TRP 58 N -0.44 -0.47 -0.15 2.24 7.01 -0.27 0.14 115.95 124.00 1nkl h TRP 58 Ca -0.00 0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.09 1nkl h TRP 58 Cb 0.43 0.27 -0.06 0.00 -2.10 0.00 0.00 29.16 27.69 1nkl h TRP 58 CO 0.07 -0.27 -0.29 -0.44 -2.79 0.00 0.00 178.44 174.72 1nkl h ASP 59 N -0.11 -0.91 -0.25 2.65 3.32 -0.88 0.57 116.42 120.81 1nkl h ASP 59 Ca 0.20 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 1nkl h ASP 59 Cb 0.42 0.40 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1nkl h ASP 59 CO -0.48 -0.33 0.14 0.40 -1.72 0.00 0.00 179.24 177.24 1nkl h ILE 60 N -0.35 1.12 -0.46 0.35 5.03 -0.91 -1.66 117.51 120.62 1nkl h ILE 60 Ca 0.11 -0.31 -0.00 0.00 -0.12 0.00 0.00 64.86 64.53 1nkl h ILE 60 Cb 0.51 0.87 -0.02 0.00 -3.03 0.00 0.00 36.82 35.16 1nkl h ILE 60 CO -0.35 0.11 0.26 -0.07 -0.68 0.00 0.00 178.15 177.43 1nkl h LEU 61 N 0.29 0.55 -0.49 1.44 3.38 -0.33 0.89 115.31 121.04 1nkl h LEU 61 Ca 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1nkl h LEU 61 Cb 0.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1nkl h LEU 61 CO -0.01 0.43 0.00 0.35 0.09 0.00 0.00 178.44 179.30 1nkl n THR 62 N -4.43 0.18 -4.34 0.22 -2.24 0.16 -4.92 114.28 98.90 1nkl n THR 62 Ca 0.04 -0.18 -0.33 0.00 -2.27 0.00 0.00 64.05 61.31 1nkl n THR 62 Cb 0.09 0.09 -0.09 0.00 -2.10 0.00 0.00 70.33 68.31 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 0.71 -0.17 3.83 3.38 0.00 0.31 -4.93 105.19 108.31 1nkl n GLY 63 Ca 0.04 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -7.32 4.12 0.71 1.61 2.20 -0.63 -5.03 119.74 115.39 1nkl s LYS 64 Ca 0.14 0.66 -0.12 0.00 -0.36 0.00 0.00 55.97 56.29 1nkl s LYS 64 Cb -0.08 -3.02 0.02 0.00 -1.51 0.00 0.00 37.83 33.24 1nkl s LYS 64 CO 1.00 0.51 1.08 0.15 -0.36 0.00 0.00 175.35 177.73 1nkl s LYS 65 N -1.70 2.68 0.05 4.03 3.01 -1.26 -4.74 119.74 121.82 1nkl s LYS 65 Ca 0.36 1.16 -0.37 0.00 -1.01 0.00 0.00 55.97 56.12 1nkl s LYS 65 Cb -0.17 -1.95 -0.20 0.00 -1.01 0.00 0.00 37.83 34.50 1nkl s LYS 65 CO 0.20 -1.31 1.51 -1.00 0.51 0.00 0.00 175.35 175.26 1nkl h PRO 66 N -0.59 -1.27 0.00 -1.68 0.13 -1.94 -0.55 132.00 126.12 1nkl h PRO 66 Ca -0.45 0.09 -0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1nkl h PRO 66 Cb 1.23 0.29 -0.00 0.00 0.13 0.00 0.00 31.00 32.64 1nkl h PRO 66 CO 0.54 -0.85 -0.02 0.37 -0.23 0.00 0.00 178.00 177.82 1nkl h GLN 67 N -1.35 0.00 0.10 0.86 4.15 -1.93 -0.67 115.11 116.27 1nkl h GLN 67 Ca -0.13 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.10 1nkl h GLN 67 Cb 1.01 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.72 1nkl h GLN 67 CO 0.22 0.02 -0.80 0.00 -1.93 0.00 0.00 178.83 176.34 1nkl h ALA 68 N 1.98 -0.04 -0.63 3.38 0.00 -1.88 -3.26 119.26 118.81 1nkl h ALA 68 Ca -0.00 -0.67 0.13 0.00 0.00 0.00 0.00 54.91 54.38 1nkl h ALA 68 Cb 0.09 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.85 1nkl h ALA 68 CO 0.00 0.40 -0.01 0.82 0.00 0.00 0.00 179.25 180.46 1nkl h ILE 69 N -0.22 0.47 -0.89 0.00 2.04 0.38 0.59 117.51 119.88 1nkl h ILE 69 Ca -0.13 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1nkl h ILE 69 Cb 1.57 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1nkl h ILE 69 CO 0.15 0.02 0.56 0.00 0.00 0.00 0.00 178.15 178.88 1nkl h VAL 71 N 1.22 1.39 -0.56 0.00 2.07 -1.38 0.11 116.25 119.10 1nkl h VAL 71 Ca 0.32 -1.31 0.11 0.00 0.82 0.00 0.00 66.70 66.65 1nkl h VAL 71 Cb -0.09 2.12 -0.11 0.00 -1.52 0.00 0.00 31.29 31.69 1nkl h VAL 71 CO -0.06 0.36 -0.13 -0.78 0.02 0.00 0.00 177.57 176.98 1nkl h ASP 72 N -0.29 -0.50 0.18 0.57 3.58 -0.62 -1.57 116.42 117.78 1nkl h ASP 72 Ca 0.01 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1nkl h ASP 72 Cb 0.63 0.34 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1nkl h ASP 72 CO 0.02 -0.18 -0.28 2.30 -2.88 0.00 0.00 179.24 178.23 1nkl n ILE 73 N -5.38 0.00 -1.50 2.25 -5.35 -0.69 -5.02 119.36 103.67 1nkl n ILE 73 Ca 0.06 -0.16 -0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1nkl n ILE 73 Cb 0.30 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.74 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 -0.49 -0.00 0.00 6.28 4.81 -0.59 -5.06 118.16 123.11 1nkl n LYS 74 Ca 0.12 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 1nkl n LYS 74 Cb 0.37 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 33.96 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 -0.45 0.00 0.00 3.15 5.41 0.37 -5.02 119.36 122.81 1nkl n ILE 75 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1nkl n ILE 75 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 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 0.45 0.00 0.00 0.00 -1.26 -0.24 118.16 117.10 1nkl n LYS 77 Ca 0.00 -1.62 0.14 0.00 0.00 0.00 0.00 58.31 56.83 1nkl n LYS 77 Cb 0.00 -1.02 0.54 0.00 0.00 0.00 0.00 35.03 34.55 1nkl n LYS 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79