#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 0.00 -1.01 1.61 3.20 -1.94 -2.05 116.97 116.79 1nkl h TYR 2 Ca 0.00 0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.10 1nkl h TYR 2 Cb 0.00 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 38.15 1nkl h TYR 2 CO 0.00 0.00 0.60 0.74 -1.64 0.00 0.00 178.16 177.86 1nkl h PHE 3 N 0.00 1.00 0.89 -3.82 0.04 -1.95 -2.86 116.94 110.25 1nkl h PHE 3 Ca 0.27 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 61.03 1nkl h PHE 3 Cb 1.16 -0.29 0.01 0.00 2.20 0.00 0.00 35.95 39.02 1nkl h PHE 3 CO 0.00 0.10 -0.43 0.00 -0.60 0.00 0.00 178.31 177.38 1nkl h GLU 5 N -1.24 0.14 0.05 0.00 4.57 -1.77 0.19 114.58 116.52 1nkl h GLU 5 Ca -0.12 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.08 1nkl h GLU 5 Cb 0.92 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.43 1nkl h GLU 5 CO 0.20 0.09 -0.34 0.77 -1.18 0.00 0.00 179.01 178.56 1nkl h SER 6 N 0.14 -1.00 -0.18 1.04 0.02 -1.37 0.52 113.55 112.72 1nkl h SER 6 Ca 0.21 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1nkl h SER 6 Cb 0.30 0.39 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1nkl h SER 6 CO -0.33 -0.41 0.11 0.00 -1.14 0.00 0.00 176.83 175.07 1nkl h ARG 8 N 0.23 -0.04 -0.54 0.00 2.43 -0.47 0.62 114.38 116.60 1nkl h ARG 8 Ca 0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1nkl h ARG 8 Cb 0.00 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1nkl h ARG 8 CO -0.01 -0.03 0.31 -0.22 -1.51 0.00 0.00 179.97 178.51 1nkl h LYS 9 N -0.04 0.75 0.09 0.20 3.64 -0.61 0.81 116.57 121.41 1nkl h LYS 9 Ca 0.16 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1nkl h LYS 9 Cb 0.29 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1nkl h LYS 9 CO -0.36 0.57 -0.16 0.82 -2.27 0.00 0.00 179.45 178.04 1nkl h ILE 10 N 0.73 0.62 0.36 2.00 2.04 -0.04 0.52 117.51 123.75 1nkl h ILE 10 Ca 0.19 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.04 1nkl h ILE 10 Cb 0.03 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1nkl h ILE 10 CO -0.03 0.00 -0.18 0.40 0.00 0.00 0.00 178.15 178.34 1nkl h ILE 11 N -0.32 0.63 -0.93 -0.67 1.08 -0.80 -2.66 117.51 113.84 1nkl h ILE 11 Ca 0.03 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.58 1nkl h ILE 11 Cb 0.34 0.63 -0.07 0.00 -3.07 0.00 0.00 36.82 34.65 1nkl h ILE 11 CO -0.09 0.00 0.60 1.56 -0.69 0.00 0.00 178.15 179.53 1nkl h GLN 12 N -0.50 0.96 0.00 2.37 1.08 -0.64 0.48 115.11 118.86 1nkl h GLN 12 Ca -0.05 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 56.99 1nkl h GLN 12 Cb 0.39 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1nkl h GLN 12 CO 0.08 0.64 -0.49 -0.22 -0.95 0.00 0.00 178.83 177.89 1nkl h LYS 13 N 0.99 0.00 -0.00 1.46 1.63 -0.82 -0.64 116.57 119.19 1nkl h LYS 13 Ca 0.42 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.22 1nkl h LYS 13 Cb 0.32 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1nkl h LYS 13 CO -0.18 0.49 -0.00 1.25 -3.45 0.00 0.00 179.45 177.55 1nkl h LEU 14 N 0.00 0.01 -0.43 5.20 7.12 -0.64 -2.64 115.31 123.93 1nkl h LEU 14 Ca -0.00 -0.49 0.08 0.00 0.13 0.00 0.00 57.88 57.60 1nkl h LEU 14 Cb 0.94 -0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.99 1nkl h LEU 14 CO 0.06 0.50 -0.06 -0.08 -0.13 0.00 0.00 178.44 178.73 1nkl h GLU 15 N -0.47 0.04 -0.48 1.25 4.81 -0.91 0.13 114.58 118.96 1nkl h GLU 15 Ca 0.00 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1nkl h GLU 15 Cb 0.49 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1nkl h GLU 15 CO 0.00 0.03 0.32 0.22 -0.73 0.00 0.00 179.01 178.85 1nkl h ASP 16 N 0.05 0.35 0.00 1.04 1.82 -1.17 -0.47 116.42 118.04 1nkl h ASP 16 Ca 0.21 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 1nkl h ASP 16 Cb 0.32 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.25 1nkl h ASP 16 CO -0.40 0.23 -0.06 0.24 -1.61 0.00 0.00 179.24 177.63 1nkl h MET 17 N 0.39 0.00 -0.78 0.28 2.86 -0.47 -3.38 114.93 113.84 1nkl h MET 17 Ca 0.21 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 1nkl h MET 17 Cb 0.33 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 1nkl h MET 17 CO -0.05 0.00 0.36 -0.24 1.06 0.00 0.00 176.91 178.04 1nkl h VAL 18 N -0.84 1.25 0.00 -2.22 3.04 -0.97 -3.49 116.25 113.02 1nkl h VAL 18 Ca 0.00 -0.70 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 1nkl h VAL 18 Cb 0.06 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 29.60 1nkl h VAL 18 CO 0.00 0.30 0.00 0.61 -1.01 0.00 0.00 177.57 177.47 1nkl n GLY 19 N -1.03 0.49 3.60 3.17 0.00 -0.19 -4.93 105.19 106.30 1nkl n GLY 19 Ca 0.08 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.49 0.00 1.61 0.04 -1.26 -4.77 135.00 129.13 1nkl s PRO 20 Ca 0.00 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.81 1nkl s PRO 20 Cb 0.00 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.96 1nkl s PRO 20 CO 0.00 -3.86 0.00 1.04 0.04 0.00 0.00 177.00 174.22 1nkl n GLN 21 N -4.83 0.00 -0.43 4.56 3.00 -1.26 -4.91 117.38 113.51 1nkl n GLN 21 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1nkl n GLN 21 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.84 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 0.00 1.55 -4.00 -1.09 -0.04 -1.26 -5.14 135.00 125.02 1nkl n PRO 22 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1nkl n PRO 22 Cb 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 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 -1.00 0.35 0.35 3.54 4.22 -1.26 -4.96 114.94 116.17 1nkl s ASN 23 Ca 0.00 -0.25 0.14 0.00 -2.14 0.00 0.00 52.86 50.62 1nkl s ASN 23 Cb 0.00 0.02 1.13 0.00 1.28 0.00 0.00 41.25 43.67 1nkl s ASN 23 CO 0.00 -0.10 1.60 -0.08 -2.04 0.00 0.00 177.10 176.48 1nkl h GLU 24 N 5.44 0.09 0.20 3.55 4.81 -1.99 -1.34 114.58 125.35 1nkl h GLU 24 Ca -0.29 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1nkl h GLU 24 Cb 1.20 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1nkl h GLU 24 CO 0.46 0.06 -0.10 0.22 -0.73 0.00 0.00 179.01 178.93 1nkl h ASP 25 N 0.10 -0.23 -0.90 1.04 3.58 -1.99 -1.28 116.42 116.74 1nkl h ASP 25 Ca 0.75 -0.25 0.10 0.00 0.42 0.00 0.00 57.03 58.05 1nkl h ASP 25 Cb 1.83 0.06 -0.07 0.00 1.72 0.00 0.00 39.33 42.88 1nkl h ASP 25 CO -0.75 0.16 0.58 0.74 -2.88 0.00 0.00 179.24 177.09 1nkl h THR 26 N -0.66 0.97 -0.52 2.25 2.02 -1.72 0.21 112.91 115.46 1nkl h THR 26 Ca -0.03 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1nkl h THR 26 Cb 0.47 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1nkl h THR 26 CO 0.05 0.16 0.24 0.58 0.37 0.00 0.00 175.52 176.92 1nkl h VAL 27 N 0.90 1.20 0.32 3.16 2.07 -1.21 0.14 116.25 122.83 1nkl h VAL 27 Ca 0.42 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1nkl h VAL 27 Cb 0.41 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1nkl h VAL 27 CO -0.18 0.23 -0.15 0.74 0.02 0.00 0.00 177.57 178.22 1nkl h THR 28 N 0.70 0.70 -0.32 2.57 2.02 0.52 0.29 112.91 119.38 1nkl h THR 28 Ca 0.18 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 67.15 1nkl h THR 28 Cb 0.14 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1nkl h THR 28 CO -0.02 0.02 -0.21 0.06 0.37 0.00 0.00 175.52 175.74 1nkl h GLN 29 N -0.48 0.71 -0.60 6.66 3.07 -0.85 -1.60 115.11 122.02 1nkl h GLN 29 Ca -0.04 -0.33 0.07 0.00 0.09 0.00 0.00 58.65 58.44 1nkl h GLN 29 Cb 0.36 -0.01 -0.06 0.00 0.08 0.00 0.00 27.48 27.86 1nkl h GLN 29 CO 0.07 0.94 0.28 0.00 0.09 0.00 0.00 178.83 180.21 1nkl h ALA 30 N 0.75 0.79 -0.25 0.06 0.00 -0.73 -2.20 119.26 117.68 1nkl h ALA 30 Ca 0.06 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1nkl h ALA 30 Cb 0.76 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1nkl h ALA 30 CO 0.06 -0.10 0.12 0.00 0.00 0.00 0.00 179.25 179.33 1nkl h ALA 31 N 1.36 0.30 -0.99 0.00 0.00 -0.65 0.62 119.26 119.90 1nkl h ALA 31 Ca 0.29 0.01 0.28 0.00 0.00 0.00 0.00 54.91 55.48 1nkl h ALA 31 Cb 0.27 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1nkl h ALA 31 CO -0.23 -0.27 0.69 0.66 0.00 0.00 0.00 179.25 180.10 1nkl h SER 32 N 0.26 0.11 0.44 0.00 4.64 -0.65 -0.11 113.55 118.25 1nkl h SER 32 Ca 0.10 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1nkl h SER 32 Cb 0.03 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1nkl h SER 32 CO -0.07 0.03 -1.45 0.00 -0.87 0.00 0.00 176.83 174.47 1nkl n GLN 33 N -4.32 0.56 -0.31 4.77 1.13 -0.62 -3.06 117.38 115.52 1nkl n GLN 33 Ca 0.21 -0.04 -0.03 0.00 -1.94 0.00 0.00 57.00 55.20 1nkl n GLN 33 Cb 0.99 -1.65 0.11 0.00 0.11 0.00 0.00 30.24 29.81 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 1.25 0.05 5.09 3.04 0.21 0.34 116.25 126.23 1nkl h VAL 34 Ca 0.00 -0.61 -0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1nkl h VAL 34 Cb 0.94 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1nkl h VAL 34 CO 0.00 0.28 -0.02 0.00 -1.01 0.00 0.00 177.57 176.81 1nkl h ASP 36 N -0.50 0.67 -0.12 0.00 3.58 -1.31 -3.06 116.42 115.67 1nkl h ASP 36 Ca -0.01 0.07 -0.13 0.00 0.42 0.00 0.00 57.03 57.38 1nkl h ASP 36 Cb 0.45 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1nkl h ASP 36 CO 0.01 0.27 -0.42 0.50 -2.88 0.00 0.00 179.24 176.72 1nkl h LYS 37 N 0.67 0.50 -5.44 0.28 3.64 -0.07 -3.10 116.57 113.06 1nkl h LYS 37 Ca 0.52 -0.37 -0.69 0.00 -1.27 0.00 0.00 60.65 58.84 1nkl h LYS 37 Cb 0.93 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.73 1nkl h LYS 37 CO -0.28 1.00 2.23 1.28 -2.27 0.00 0.00 179.45 181.40 1nkl n LEU 38 N -4.29 5.26 -4.85 5.20 4.77 -0.08 -4.97 117.00 118.04 1nkl n LEU 38 Ca -0.07 -4.03 -0.30 0.00 -0.03 0.00 0.00 56.01 51.58 1nkl n LEU 38 Cb 0.55 -1.72 0.05 0.00 -2.33 0.00 0.00 43.42 39.97 1nkl n LEU 38 CO 0.45 0.37 0.73 -1.59 -1.33 0.00 0.00 177.39 176.02 1nkl s LYS 39 N 3.71 2.80 0.00 3.23 -2.85 -1.17 -1.50 119.74 123.95 1nkl s LYS 39 Ca 0.52 0.62 0.00 0.00 -1.00 0.00 0.00 55.97 56.11 1nkl s LYS 39 Cb 0.05 -2.00 0.00 0.00 -2.06 0.00 0.00 37.83 33.82 1nkl s LYS 39 CO 0.05 -1.11 0.00 -0.89 0.10 0.00 0.00 175.35 173.49 1nkl n ILE 40 N -3.09 0.00 1.41 3.79 5.41 -1.26 -4.33 119.36 121.29 1nkl n ILE 40 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.84 1nkl n ILE 40 Cb 0.56 0.00 0.06 0.00 -0.71 0.00 0.00 39.64 39.54 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 0.90 -0.28 1.39 -0.00 -1.22 -4.19 117.00 113.60 1nkl n LEU 41 Ca 0.00 -0.45 -0.02 0.00 -0.00 0.00 0.00 56.01 55.54 1nkl n LEU 41 Cb 0.00 -0.18 0.10 0.00 -0.00 0.00 0.00 43.42 43.34 1nkl n LEU 41 CO 0.00 0.20 1.18 -0.09 -0.00 0.00 0.00 177.39 178.67 1nkl h ARG 42 N 0.69 0.92 0.14 1.96 2.43 -1.46 -2.60 114.38 116.47 1nkl h ARG 42 Ca 0.00 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1nkl h ARG 42 Cb 0.29 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1nkl h ARG 42 CO 0.02 0.61 -0.07 0.78 -1.51 0.00 0.00 179.97 179.80 1nkl h GLY 43 N 0.95 -0.20 0.93 2.80 0.00 -1.87 -2.13 103.07 103.54 1nkl h GLY 43 Ca 0.32 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1nkl h GLY 43 CO -0.12 -0.07 0.12 -2.00 0.00 0.00 0.00 176.54 174.46 1nkl h LEU 44 N -0.25 0.32 0.23 3.11 5.85 -1.79 -0.57 115.31 122.21 1nkl h LEU 44 Ca -0.02 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.59 1nkl h LEU 44 Cb 0.20 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1nkl h LEU 44 CO 0.03 0.35 -0.49 0.00 -0.34 0.00 0.00 178.44 177.99 1nkl h LYS 46 N -0.80 0.98 0.48 0.00 1.57 -1.06 0.80 116.57 118.55 1nkl h LYS 46 Ca -0.01 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1nkl h LYS 46 Cb 0.77 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1nkl h LYS 46 CO -0.21 0.65 -0.23 -0.22 -0.57 0.00 0.00 179.45 178.87 1nkl h LYS 47 N 1.01 -0.62 -0.53 3.15 1.63 -0.79 -1.76 116.57 118.67 1nkl h LYS 47 Ca 0.42 0.04 0.08 0.00 -0.85 0.00 0.00 60.65 60.34 1nkl h LYS 47 Cb 0.30 0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 32.01 1nkl h LYS 47 CO -0.18 -0.41 0.18 0.82 -3.45 0.00 0.00 179.45 176.41 1nkl h ILE 48 N -0.67 0.79 -0.10 2.00 2.04 -0.02 0.33 117.51 121.89 1nkl h ILE 48 Ca -0.07 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1nkl h ILE 48 Cb 0.51 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1nkl h ILE 48 CO 0.11 0.06 0.06 0.24 0.00 0.00 0.00 178.15 178.63 1nkl h MET 49 N 0.35 0.13 -0.30 2.37 2.86 -0.82 0.11 114.93 119.63 1nkl h MET 49 Ca 0.26 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1nkl h MET 49 Cb 0.30 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1nkl h MET 49 CO -0.28 0.08 0.19 -0.09 1.06 0.00 0.00 176.91 177.87 1nkl h ARG 50 N 0.13 0.40 -0.89 1.72 9.65 -0.82 -0.99 114.38 123.58 1nkl h ARG 50 Ca 0.04 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1nkl h ARG 50 Cb -0.01 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.44 1nkl h ARG 50 CO -0.01 0.29 0.47 1.03 2.80 0.00 0.00 179.97 184.55 1nkl h SER 51 N 0.39 1.12 -0.88 -3.80 0.87 -0.55 -3.36 113.55 107.34 1nkl h SER 51 Ca 0.11 -0.11 -0.34 0.00 -1.23 0.00 0.00 61.79 60.21 1nkl h SER 51 Cb -0.01 -0.29 -0.35 0.00 -0.44 0.00 0.00 62.40 61.31 1nkl h SER 51 CO -0.02 0.91 -1.03 0.49 -0.53 0.00 0.00 176.83 176.65 1nkl n PHE 52 N -4.33 0.33 0.42 2.24 3.72 0.36 -5.01 117.46 115.19 1nkl n PHE 52 Ca 0.09 -2.71 -0.19 0.00 -0.05 0.00 0.00 57.45 54.59 1nkl n PHE 52 Cb 0.11 0.02 -0.10 0.00 -0.94 0.00 0.00 39.48 38.57 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 2.82 -1.17 -2.17 4.37 7.12 -1.34 -2.15 115.31 122.80 1nkl h LEU 53 Ca -0.12 0.06 0.00 0.00 0.13 0.00 0.00 57.88 57.96 1nkl h LEU 53 Cb 1.18 0.34 0.00 0.00 -0.53 0.00 0.00 40.66 41.65 1nkl h LEU 53 CO 0.39 -0.73 0.00 -0.09 -0.13 0.00 0.00 178.44 177.88 1nkl h ARG 54 N -1.16 0.00 -0.01 1.25 2.43 -1.95 -0.66 114.38 114.28 1nkl h ARG 54 Ca -0.10 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1nkl h ARG 54 Cb 0.93 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1nkl h ARG 54 CO 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.57 1nkl h ARG 55 N 0.00 0.01 -0.01 0.20 2.47 -1.81 -2.11 114.38 113.14 1nkl h ARG 55 Ca 0.00 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1nkl h ARG 55 Cb 0.26 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1nkl h ARG 55 CO 0.00 0.29 0.01 0.82 0.56 0.00 0.00 179.97 181.65 1nkl h ILE 56 N -0.27 0.76 0.57 2.04 5.03 -0.83 0.56 117.51 125.36 1nkl h ILE 56 Ca 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.71 1nkl h ILE 56 Cb 0.29 1.00 0.01 0.00 -3.03 0.00 0.00 36.82 35.08 1nkl h ILE 56 CO 0.00 0.00 -0.27 -1.28 -0.68 0.00 0.00 178.15 175.92 1nkl h SER 57 N 0.00 -0.64 -0.72 1.72 0.87 -1.25 -2.38 113.55 111.15 1nkl h SER 57 Ca 0.00 0.02 0.16 0.00 -1.23 0.00 0.00 61.79 60.74 1nkl h SER 57 Cb 0.01 0.17 -0.13 0.00 -0.44 0.00 0.00 62.40 62.01 1nkl h SER 57 CO -0.00 -0.26 -0.06 -0.25 -0.53 0.00 0.00 176.83 175.73 1nkl h TRP 58 N -1.15 -0.16 -0.03 2.24 7.01 -0.80 0.38 115.95 123.44 1nkl h TRP 58 Ca -0.08 0.06 0.03 0.00 2.11 0.00 0.00 58.89 61.01 1nkl h TRP 58 Cb 0.58 0.18 -0.06 0.00 -2.10 0.00 0.00 29.16 27.77 1nkl h TRP 58 CO 0.01 -0.25 -0.44 -0.44 -2.79 0.00 0.00 178.44 174.52 1nkl h ASP 59 N 0.07 -1.35 -0.02 2.65 3.32 -0.89 0.84 116.42 121.03 1nkl h ASP 59 Ca 0.38 0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.59 1nkl h ASP 59 Cb 0.63 0.53 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1nkl h ASP 59 CO -0.67 -0.46 0.01 0.40 -1.72 0.00 0.00 179.24 176.80 1nkl h ILE 60 N -0.57 1.06 -0.93 0.35 5.03 -0.90 -1.85 117.51 119.69 1nkl h ILE 60 Ca 0.05 -0.16 0.01 0.00 -0.12 0.00 0.00 64.86 64.64 1nkl h ILE 60 Cb 0.66 1.12 -0.05 0.00 -3.03 0.00 0.00 36.82 35.53 1nkl h ILE 60 CO -0.34 0.05 0.62 -0.07 -0.68 0.00 0.00 178.15 177.72 1nkl h LEU 61 N -0.03 1.06 -0.17 1.44 3.38 -0.59 0.46 115.31 120.86 1nkl h LEU 61 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1nkl h LEU 61 Cb 0.06 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1nkl h LEU 61 CO -0.00 0.76 0.00 0.35 0.09 0.00 0.00 178.44 179.64 1nkl n THR 62 N -4.40 0.01 -4.32 0.22 -2.24 0.26 -4.90 114.28 98.91 1nkl n THR 62 Ca 0.11 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.55 1nkl n THR 62 Cb 0.02 -0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.44 -0.17 3.82 3.38 0.00 0.15 -4.91 105.19 107.90 1nkl n GLY 63 Ca 0.00 0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -7.30 4.17 0.70 1.61 2.20 -0.70 -5.01 119.74 115.41 1nkl s LYS 64 Ca 0.13 0.74 -0.12 0.00 -0.36 0.00 0.00 55.97 56.35 1nkl s LYS 64 Cb -0.07 -2.98 0.02 0.00 -1.51 0.00 0.00 37.83 33.28 1nkl s LYS 64 CO 0.99 0.48 1.08 0.15 -0.36 0.00 0.00 175.35 177.69 1nkl s LYS 65 N -1.77 2.71 0.10 4.03 3.01 -1.26 -4.79 119.74 121.77 1nkl s LYS 65 Ca 0.38 1.16 -0.21 0.00 -1.01 0.00 0.00 55.97 56.29 1nkl s LYS 65 Cb -0.17 -1.95 -0.11 0.00 -1.01 0.00 0.00 37.83 34.59 1nkl s LYS 65 CO 0.20 -1.29 1.73 -1.00 0.51 0.00 0.00 175.35 175.51 1nkl h PRO 66 N -0.54 0.14 -0.92 -1.68 0.13 -1.95 0.11 132.00 127.28 1nkl h PRO 66 Ca -0.45 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.74 1nkl h PRO 66 Cb 1.23 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1nkl h PRO 66 CO 0.54 0.12 0.58 0.37 -0.23 0.00 0.00 178.00 179.38 1nkl h GLN 67 N 0.12 1.03 0.10 0.86 -0.00 -1.93 -1.16 115.11 114.12 1nkl h GLN 67 Ca 0.04 -0.06 -0.26 0.00 -0.00 0.00 0.00 58.65 58.36 1nkl h GLN 67 Cb 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 27.48 27.27 1nkl h GLN 67 CO -0.01 0.68 -1.16 0.00 0.00 0.00 0.00 178.83 178.34 1nkl h ALA 68 N 1.43 0.16 0.43 3.38 0.00 -1.76 -1.99 119.26 120.91 1nkl h ALA 68 Ca 0.40 -0.82 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1nkl h ALA 68 Cb 0.18 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1nkl h ALA 68 CO -0.18 0.89 -0.47 0.82 0.00 0.00 0.00 179.25 180.31 1nkl h ILE 69 N 0.14 0.08 -0.82 0.00 2.04 -0.43 -0.51 117.51 118.01 1nkl h ILE 69 Ca -0.13 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1nkl h ILE 69 Cb 1.85 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1nkl h ILE 69 CO 0.20 0.00 0.50 0.00 0.00 0.00 0.00 178.15 178.84 1nkl h VAL 71 N 1.12 1.32 -0.13 0.00 2.07 -1.20 0.43 116.25 119.86 1nkl h VAL 71 Ca 0.29 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1nkl h VAL 71 Cb -0.05 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1nkl h VAL 71 CO -0.06 0.53 0.08 -0.78 0.02 0.00 0.00 177.57 177.36 1nkl h ASP 72 N 0.41 0.13 0.39 0.57 1.82 -0.07 -1.04 116.42 118.63 1nkl h ASP 72 Ca 0.02 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1nkl h ASP 72 Cb 0.99 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.97 1nkl h ASP 72 CO 0.09 0.10 -0.04 2.30 -1.61 0.00 0.00 179.24 180.08 1nkl n ILE 73 N -5.01 0.00 -2.89 2.25 -5.35 -0.65 -4.97 119.36 102.74 1nkl n ILE 73 Ca -0.04 -0.02 -0.10 0.00 -0.27 0.00 0.00 62.75 62.31 1nkl n ILE 73 Cb 0.03 -0.35 0.01 0.00 -1.74 0.00 0.00 39.64 37.60 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 -1.10 -2.45 0.00 6.28 0.00 -0.40 -4.99 118.16 115.51 1nkl n LYS 74 Ca 0.16 2.13 0.00 0.00 0.00 0.00 0.00 58.31 60.60 1nkl n LYS 74 Cb 0.23 -5.34 0.00 0.00 0.00 0.00 0.00 35.03 29.92 1nkl n LYS 74 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1nkl n ILE 75 N -0.18 0.00 -3.96 3.15 5.41 0.14 -4.99 119.36 118.93 1nkl n ILE 75 Ca 0.09 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.58 1nkl n ILE 75 Cb 0.43 0.04 -0.03 0.00 -0.71 0.00 0.00 39.64 39.37 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 -1.58 -1.58 0.00 0.00 3.00 -1.26 -4.30 118.16 112.44 1nkl n LYS 77 Ca -0.02 0.79 0.14 0.00 -0.00 0.00 0.00 58.31 59.22 1nkl n LYS 77 Cb 0.64 -5.17 0.48 0.00 0.00 0.00 0.00 35.03 30.98 1nkl n LYS 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79