#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 0.34 -1.06 1.61 3.20 -1.92 -0.80 116.97 118.33 1nkl h TYR 2 Ca 0.00 0.01 0.34 0.00 3.14 0.00 0.00 58.73 62.23 1nkl h TYR 2 Cb 0.00 -0.10 -0.14 0.00 1.54 0.00 0.00 36.73 38.03 1nkl h TYR 2 CO 0.00 0.02 0.63 0.74 -1.64 0.00 0.00 178.16 177.91 1nkl h PHE 3 N 0.19 0.82 -0.06 -3.82 0.04 -1.89 -1.42 116.94 110.80 1nkl h PHE 3 Ca 0.59 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 61.39 1nkl h PHE 3 Cb 1.92 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 39.85 1nkl h PHE 3 CO -0.00 -0.18 0.04 0.00 -0.60 0.00 0.00 178.31 177.56 1nkl h GLU 5 N 0.04 -0.24 -0.11 0.00 4.22 -1.48 0.32 114.58 117.34 1nkl h GLU 5 Ca 0.02 0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.52 1nkl h GLU 5 Cb 0.04 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1nkl h GLU 5 CO -0.00 -0.12 -0.16 0.77 -2.18 0.00 0.00 179.01 177.31 1nkl h SER 6 N -0.29 -0.50 -0.31 1.04 0.02 -1.20 -0.58 113.55 111.72 1nkl h SER 6 Ca -0.03 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1nkl h SER 6 Cb 0.22 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1nkl h SER 6 CO 0.04 -0.21 0.19 0.00 -1.14 0.00 0.00 176.83 175.71 1nkl h ARG 8 N 0.40 -0.33 -0.89 0.00 2.43 -0.56 -0.68 114.38 114.75 1nkl h ARG 8 Ca 0.11 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1nkl h ARG 8 Cb -0.00 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 1nkl h ARG 8 CO -0.02 -0.22 0.54 -0.22 -1.51 0.00 0.00 179.97 178.54 1nkl h LYS 9 N -0.34 1.20 0.65 0.20 3.64 -0.79 0.16 116.57 121.30 1nkl h LYS 9 Ca 0.06 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1nkl h LYS 9 Cb 0.43 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1nkl h LYS 9 CO -0.21 0.84 -0.36 0.82 -2.27 0.00 0.00 179.45 178.27 1nkl h ILE 10 N 1.22 0.27 -0.61 2.00 2.04 -0.58 -2.50 117.51 119.35 1nkl h ILE 10 Ca 0.32 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.14 1nkl h ILE 10 Cb -0.06 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 1nkl h ILE 10 CO -0.06 0.00 0.23 0.40 0.00 0.00 0.00 178.15 178.72 1nkl h ILE 11 N -0.94 1.24 -0.86 -0.67 5.03 -0.92 -2.68 117.51 117.70 1nkl h ILE 11 Ca -0.08 -0.76 0.07 0.00 -0.12 0.00 0.00 64.86 63.97 1nkl h ILE 11 Cb 0.74 0.59 -0.06 0.00 -3.03 0.00 0.00 36.82 35.06 1nkl h ILE 11 CO 0.11 0.29 0.53 1.56 -0.68 0.00 0.00 178.15 179.96 1nkl h GLN 12 N 0.86 0.93 0.00 2.37 1.08 -0.59 0.35 115.11 120.10 1nkl h GLN 12 Ca 0.20 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 57.23 1nkl h GLN 12 Cb 0.23 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 1nkl h GLN 12 CO -0.01 0.61 -0.55 -0.22 -0.95 0.00 0.00 178.83 177.71 1nkl h LYS 13 N 0.96 0.00 -0.15 1.46 1.63 -1.38 -1.99 116.57 117.09 1nkl h LYS 13 Ca 0.38 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 60.09 1nkl h LYS 13 Cb 0.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1nkl h LYS 13 CO -0.18 0.55 -0.28 1.25 -3.45 0.00 0.00 179.45 177.34 1nkl h LEU 14 N 0.00 0.51 0.15 5.20 5.85 -0.60 -2.54 115.31 123.87 1nkl h LEU 14 Ca -0.01 -0.55 0.01 0.00 0.84 0.00 0.00 57.88 58.17 1nkl h LEU 14 Cb 1.03 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1nkl h LEU 14 CO 0.07 0.96 -0.16 -0.08 -0.34 0.00 0.00 178.44 178.89 1nkl h GLU 15 N 0.08 -0.33 -0.92 1.25 4.81 -0.40 0.22 114.58 119.28 1nkl h GLU 15 Ca 0.01 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1nkl h GLU 15 Cb 0.87 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.26 1nkl h GLU 15 CO 0.06 -0.22 0.60 0.22 -0.73 0.00 0.00 179.01 178.94 1nkl h ASP 16 N -0.34 0.88 0.00 1.04 1.82 -1.46 -1.58 116.42 116.78 1nkl h ASP 16 Ca 0.01 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 1nkl h ASP 16 Cb 0.33 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.17 1nkl h ASP 16 CO -0.05 0.53 -0.04 0.24 -1.61 0.00 0.00 179.24 178.31 1nkl h MET 17 N 0.98 0.00 -0.37 0.28 2.86 -0.95 -3.33 114.93 114.40 1nkl h MET 17 Ca 0.42 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.04 1nkl h MET 17 Cb 0.33 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1nkl h MET 17 CO -0.18 0.64 0.13 -0.24 1.06 0.00 0.00 176.91 178.33 1nkl h VAL 18 N -1.00 1.15 -0.08 -2.22 3.04 -0.62 -3.49 116.25 113.03 1nkl h VAL 18 Ca -0.01 -0.50 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1nkl h VAL 18 Cb 0.66 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 1nkl h VAL 18 CO -0.01 0.19 0.00 0.61 -1.01 0.00 0.00 177.57 177.35 1nkl n GLY 19 N -1.16 -1.77 3.78 3.17 0.00 -0.60 -4.76 105.19 103.85 1nkl n GLY 19 Ca 0.02 -1.36 -0.30 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 1.79 -0.74 1.61 0.04 -1.26 -4.33 135.00 132.11 1nkl s PRO 20 Ca 0.00 0.70 -0.19 0.00 0.04 0.00 0.00 61.00 61.54 1nkl s PRO 20 Cb 0.00 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.69 1nkl s PRO 20 CO 0.00 -1.84 0.36 1.04 0.04 0.00 0.00 177.00 176.60 1nkl n GLN 21 N -3.59 -0.59 -1.08 4.56 6.02 -1.26 -4.97 117.38 116.47 1nkl n GLN 21 Ca 0.07 -0.16 -0.18 0.00 -0.01 0.00 0.00 57.00 56.72 1nkl n GLN 21 Cb 0.56 -1.16 0.13 0.00 1.02 0.00 0.00 30.24 30.79 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 -3.38 -0.97 -4.13 -1.09 -0.04 -1.26 -5.12 135.00 119.01 1nkl n PRO 22 Ca -0.08 -1.22 -0.09 0.00 -0.04 0.00 0.00 63.50 62.08 1nkl n PRO 22 Cb 0.34 -0.85 -0.10 0.00 -0.04 0.00 0.00 33.50 32.85 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 -3.85 0.67 0.34 3.54 2.20 -1.26 -4.87 114.94 111.71 1nkl s ASN 23 Ca 0.45 -1.04 0.14 0.00 -0.94 0.00 0.00 52.86 51.46 1nkl s ASN 23 Cb -0.02 0.18 1.10 0.00 -2.00 0.00 0.00 41.25 40.52 1nkl s ASN 23 CO 0.32 -0.58 1.60 -0.08 -2.94 0.00 0.00 177.10 175.42 1nkl h GLU 24 N 3.03 0.09 0.27 3.55 4.57 -1.99 -0.05 114.58 124.06 1nkl h GLU 24 Ca -0.35 -0.01 -0.01 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 0.64 0.06 -0.13 0.22 -1.18 0.00 0.00 179.01 178.62 1nkl h ASP 25 N 0.10 -0.31 -0.63 1.04 3.58 -1.99 -2.42 116.42 115.79 1nkl h ASP 25 Ca 0.74 -0.21 0.05 0.00 0.42 0.00 0.00 57.03 58.02 1nkl h ASP 25 Cb 1.79 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 42.89 1nkl h ASP 25 CO -0.75 0.16 0.41 0.74 -2.88 0.00 0.00 179.24 176.92 1nkl h THR 26 N -0.91 1.05 -0.22 2.25 2.02 -1.67 0.20 112.91 115.63 1nkl h THR 26 Ca -0.04 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 1nkl h THR 26 Cb 0.51 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1nkl h THR 26 CO 0.06 0.13 0.03 0.58 0.37 0.00 0.00 175.52 176.69 1nkl h VAL 27 N 0.69 1.23 0.12 3.16 2.07 -1.12 -0.08 116.25 122.32 1nkl h VAL 27 Ca 0.26 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 67.03 1nkl h VAL 27 Cb 0.16 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1nkl h VAL 27 CO -0.07 0.24 -0.15 0.74 0.02 0.00 0.00 177.57 178.34 1nkl h THR 28 N 0.17 0.65 -0.10 2.57 2.02 -0.23 -0.11 112.91 117.88 1nkl h THR 28 Ca 0.07 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 1nkl h THR 28 Cb 0.33 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1nkl h THR 28 CO 0.00 0.00 -0.06 0.06 0.37 0.00 0.00 175.52 175.90 1nkl h GLN 29 N -0.32 0.21 -0.92 6.66 3.07 -0.79 -0.86 115.11 122.16 1nkl h GLN 29 Ca 0.01 -0.10 0.08 0.00 0.09 0.00 0.00 58.65 58.73 1nkl h GLN 29 Cb 0.32 -0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.81 1nkl h GLN 29 CO -0.06 0.59 0.59 0.00 0.09 0.00 0.00 178.83 180.03 1nkl h ALA 30 N 0.62 1.54 -0.15 0.06 0.00 -0.97 -0.03 119.26 120.33 1nkl h ALA 30 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nkl h ALA 30 Cb 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1nkl h ALA 30 CO 0.02 0.30 0.05 0.00 0.00 0.00 0.00 179.25 179.61 1nkl h ALA 31 N 1.52 0.20 -0.82 0.00 0.00 -0.87 0.42 119.26 119.70 1nkl h ALA 31 Ca 0.41 -0.13 0.22 0.00 0.00 0.00 0.00 54.91 55.41 1nkl h ALA 31 Cb 0.28 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1nkl h ALA 31 CO -0.17 -0.18 0.57 0.66 0.00 0.00 0.00 179.25 180.13 1nkl h SER 32 N 0.06 0.11 0.57 0.00 4.64 0.47 0.28 113.55 119.68 1nkl h SER 32 Ca 0.05 0.01 -0.28 0.00 -0.47 0.00 0.00 61.79 61.10 1nkl h SER 32 Cb 0.22 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 1nkl h SER 32 CO -0.00 0.04 -1.60 1.56 -0.87 0.00 0.00 176.83 175.96 1nkl h GLN 33 N 0.11 0.00 -0.89 4.77 7.50 -1.21 -3.17 115.11 122.23 1nkl h GLN 33 Ca 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.54 1nkl h GLN 33 Cb 1.41 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.90 1nkl h GLN 33 CO -0.05 0.55 0.51 -0.24 -1.50 0.00 0.00 178.83 178.10 1nkl h VAL 34 N 0.00 1.25 -0.07 -0.54 3.04 0.18 0.11 116.25 120.23 1nkl h VAL 34 Ca -0.24 -0.58 -0.02 0.00 -1.01 0.00 0.00 66.70 64.85 1nkl h VAL 34 Cb 1.96 0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1nkl h VAL 34 CO 0.08 0.27 -0.04 0.00 -1.01 0.00 0.00 177.57 176.87 1nkl h ASP 36 N -0.24 0.20 -0.14 0.00 1.82 -1.29 -3.20 116.42 113.57 1nkl h ASP 36 Ca 0.01 0.11 -0.15 0.00 -0.39 0.00 0.00 57.03 56.61 1nkl h ASP 36 Cb 0.50 0.10 0.01 0.00 0.68 0.00 0.00 39.33 40.62 1nkl h ASP 36 CO 0.01 0.08 -0.49 0.50 -1.61 0.00 0.00 179.24 177.74 1nkl h LYS 37 N 0.39 0.58 -5.51 0.28 3.64 -0.66 -3.19 116.57 112.11 1nkl h LYS 37 Ca 0.38 -0.43 -0.69 0.00 -1.27 0.00 0.00 60.65 58.64 1nkl h LYS 37 Cb 0.56 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.38 1nkl h LYS 37 CO -0.39 1.06 2.31 1.28 -2.27 0.00 0.00 179.45 181.43 1nkl n LEU 38 N -4.21 5.25 -4.85 5.20 4.77 0.82 -4.96 117.00 119.02 1nkl n LEU 38 Ca -0.07 -3.98 -0.30 0.00 -0.03 0.00 0.00 56.01 51.62 1nkl n LEU 38 Cb 0.59 -1.73 0.06 0.00 -2.33 0.00 0.00 43.42 40.01 1nkl n LEU 38 CO 0.47 0.33 0.74 -1.59 -1.33 0.00 0.00 177.39 176.00 1nkl s LYS 39 N 3.93 2.58 0.00 3.23 -2.85 -1.21 -1.89 119.74 123.53 1nkl s LYS 39 Ca 0.52 0.54 0.00 0.00 -1.00 0.00 0.00 55.97 56.03 1nkl s LYS 39 Cb 0.05 -1.98 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 1nkl s LYS 39 CO 0.05 -1.25 0.00 -0.89 0.10 0.00 0.00 175.35 173.36 1nkl n ILE 40 N -3.16 0.00 1.57 3.79 5.41 -1.26 -4.35 119.36 121.35 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 0.57 0.00 0.05 0.00 -0.71 0.00 0.00 39.64 39.55 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 0.70 -0.06 1.39 7.94 -1.23 -4.07 117.00 121.68 1nkl n LEU 41 Ca 0.00 -0.35 -0.08 0.00 -1.11 0.00 0.00 56.01 54.46 1nkl n LEU 41 Cb 0.00 -0.10 -0.02 0.00 0.53 0.00 0.00 43.42 43.83 1nkl n LEU 41 CO 0.00 0.17 0.93 -0.09 -1.11 0.00 0.00 177.39 177.29 1nkl h ARG 42 N 0.71 0.23 -0.33 1.96 2.43 -1.56 -1.34 114.38 116.47 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 0.19 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1nkl h ARG 42 CO 0.00 0.15 0.20 0.78 -1.51 0.00 0.00 179.97 179.59 1nkl h GLY 43 N 0.23 0.48 0.67 2.80 0.00 -1.89 -1.72 103.07 103.65 1nkl h GLY 43 Ca 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1nkl h GLY 43 CO -0.09 0.20 -0.11 -2.00 0.00 0.00 0.00 176.54 174.54 1nkl h LEU 44 N 0.43 -0.25 -0.29 3.11 5.85 -1.73 -1.76 115.31 120.67 1nkl h LEU 44 Ca 0.12 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.68 1nkl h LEU 44 Cb 0.02 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 1nkl h LEU 44 CO -0.02 0.10 -0.42 0.00 -0.34 0.00 0.00 178.44 177.76 1nkl h LYS 46 N -0.39 1.10 -0.07 0.00 1.57 -1.28 -0.26 116.57 117.24 1nkl h LYS 46 Ca 0.11 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1nkl h LYS 46 Cb 0.60 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1nkl h LYS 46 CO -0.50 0.82 0.04 -0.22 -0.57 0.00 0.00 179.45 179.01 1nkl h LYS 47 N 1.11 0.10 0.04 3.15 3.64 -0.60 -1.39 116.57 122.62 1nkl h LYS 47 Ca 0.28 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.67 1nkl h LYS 47 Cb 0.04 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1nkl h LYS 47 CO -0.04 0.17 -0.26 0.82 -2.27 0.00 0.00 179.45 177.86 1nkl h ILE 48 N 0.01 0.41 -0.11 2.00 1.08 -0.18 -0.39 117.51 120.34 1nkl h ILE 48 Ca 0.02 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.51 1nkl h ILE 48 Cb 0.10 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.25 1nkl h ILE 48 CO -0.00 0.00 0.02 0.24 -0.69 0.00 0.00 178.15 177.71 1nkl h MET 49 N -0.43 0.06 -0.26 2.37 2.86 -1.06 0.13 114.93 118.60 1nkl h MET 49 Ca 0.05 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1nkl h MET 49 Cb 0.49 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1nkl h MET 49 CO -0.20 0.04 0.16 -0.09 1.06 0.00 0.00 176.91 177.88 1nkl h ARG 50 N 0.06 0.36 -0.05 1.72 1.12 -0.99 -0.34 114.38 116.27 1nkl h ARG 50 Ca 0.05 -0.03 0.01 0.00 -1.11 0.00 0.00 59.98 58.89 1nkl h ARG 50 Cb 0.04 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 29.92 1nkl h ARG 50 CO -0.06 0.28 -0.01 1.03 -3.11 0.00 0.00 179.97 178.10 1nkl h SER 51 N 0.33 -0.04 -1.41 -3.80 0.87 -0.62 -3.31 113.55 105.58 1nkl h SER 51 Ca 0.10 0.01 -0.53 0.00 -1.23 0.00 0.00 61.79 60.14 1nkl h SER 51 Cb 0.01 0.03 -0.41 0.00 -0.44 0.00 0.00 62.40 61.59 1nkl h SER 51 CO -0.02 -0.01 -0.86 0.49 -0.53 0.00 0.00 176.83 175.90 1nkl n PHE 52 N -5.11 2.78 0.17 2.24 3.72 -0.01 -4.96 117.46 116.29 1nkl n PHE 52 Ca -0.06 -3.07 -0.08 0.00 -0.05 0.00 0.00 57.45 54.20 1nkl n PHE 52 Cb 0.05 -0.18 -0.04 0.00 -0.94 0.00 0.00 39.48 38.37 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 2.71 -0.49 -0.92 4.37 7.12 -1.15 -1.97 115.31 124.99 1nkl h LEU 53 Ca 0.18 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.22 1nkl h LEU 53 Cb 0.98 0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.25 1nkl h LEU 53 CO 0.75 -0.30 0.00 -0.09 -0.13 0.00 0.00 178.44 178.67 1nkl h ARG 54 N -0.48 0.00 0.10 1.25 2.43 -1.93 -0.96 114.38 114.80 1nkl h ARG 54 Ca -0.04 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1nkl h ARG 54 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1nkl h ARG 54 CO 0.05 0.00 -0.05 0.00 -1.51 0.00 0.00 179.97 178.46 1nkl h ARG 55 N 0.00 -0.14 -0.14 0.20 2.47 -1.84 -1.35 114.38 113.59 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 0.31 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 1nkl h ARG 55 CO 0.00 0.22 0.11 0.82 0.56 0.00 0.00 179.97 181.68 1nkl h ILE 56 N -0.51 0.76 0.51 2.04 1.08 -0.44 0.30 117.51 121.24 1nkl h ILE 56 Ca -0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 1nkl h ILE 56 Cb 0.42 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 35.09 1nkl h ILE 56 CO 0.02 0.00 -0.24 -1.28 -0.69 0.00 0.00 178.15 175.96 1nkl h SER 57 N 0.00 -0.58 -0.76 1.72 0.87 -1.38 -2.52 113.55 110.90 1nkl h SER 57 Ca 0.06 0.02 0.17 0.00 -1.23 0.00 0.00 61.79 60.81 1nkl h SER 57 Cb 0.29 0.15 -0.14 0.00 -0.44 0.00 0.00 62.40 62.26 1nkl h SER 57 CO -0.00 -0.23 -0.09 -0.25 -0.53 0.00 0.00 176.83 175.73 1nkl h TRP 58 N -1.05 -0.22 0.11 2.24 7.01 -0.19 0.18 115.95 124.03 1nkl h TRP 58 Ca -0.07 0.06 0.01 0.00 2.11 0.00 0.00 58.89 61.00 1nkl h TRP 58 Cb 0.52 0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 27.76 1nkl h TRP 58 CO 0.02 -0.29 -0.42 -0.44 -2.79 0.00 0.00 178.44 174.52 1nkl h ASP 59 N 0.05 -1.27 -0.79 2.65 3.45 -1.03 0.19 116.42 119.67 1nkl h ASP 59 Ca 0.39 0.13 -0.03 0.00 0.43 0.00 0.00 57.03 57.96 1nkl h ASP 59 Cb 0.66 0.47 -0.04 0.00 -0.56 0.00 0.00 39.33 39.86 1nkl h ASP 59 CO -0.73 -0.45 0.39 0.40 -1.57 0.00 0.00 179.24 177.28 1nkl h ILE 60 N -0.61 1.25 -0.45 0.35 2.04 -0.85 -0.25 117.51 118.98 1nkl h ILE 60 Ca -0.01 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.22 1nkl h ILE 60 Cb 0.61 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1nkl h ILE 60 CO -0.22 0.29 0.20 -0.07 0.00 0.00 0.00 178.15 178.35 1nkl h LEU 61 N 1.11 0.27 -0.10 1.44 3.38 -0.55 -0.13 115.31 120.71 1nkl h LEU 61 Ca 0.27 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1nkl h LEU 61 Cb 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1nkl h LEU 61 CO -0.04 0.19 0.00 0.35 0.09 0.00 0.00 178.44 179.04 1nkl n THR 62 N -4.94 0.00 -4.31 0.22 -2.24 0.04 -4.90 114.28 98.15 1nkl n THR 62 Ca 0.03 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.49 1nkl n THR 62 Cb 0.14 -0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.41 -0.17 3.82 3.38 0.00 -0.06 -4.92 105.19 107.64 1nkl n GLY 63 Ca 0.00 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -7.28 4.19 0.70 1.61 2.20 -0.14 -5.00 119.74 116.02 1nkl s LYS 64 Ca 0.11 0.75 -0.12 0.00 -0.36 0.00 0.00 55.97 56.35 1nkl s LYS 64 Cb -0.07 -3.06 0.02 0.00 -1.51 0.00 0.00 37.83 33.22 1nkl s LYS 64 CO 0.99 0.52 1.08 0.15 -0.36 0.00 0.00 175.35 177.73 1nkl s LYS 65 N -1.59 2.73 0.11 4.03 3.01 -1.26 -4.68 119.74 122.09 1nkl s LYS 65 Ca 0.36 1.14 -0.21 0.00 -1.01 0.00 0.00 55.97 56.25 1nkl s LYS 65 Cb -0.18 -1.96 -0.09 0.00 -1.01 0.00 0.00 37.83 34.60 1nkl s LYS 65 CO 0.20 -1.27 1.73 -1.00 0.51 0.00 0.00 175.35 175.52 1nkl h PRO 66 N -0.56 0.03 -0.95 -1.68 0.13 -1.95 0.11 132.00 127.13 1nkl h PRO 66 Ca -0.45 -0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.79 1nkl h PRO 66 Cb 1.23 -0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.27 1nkl h PRO 66 CO 0.54 0.02 0.58 0.37 -0.23 0.00 0.00 178.00 179.29 1nkl h GLN 67 N 0.04 0.91 0.04 0.86 -0.00 -1.93 -1.37 115.11 113.65 1nkl h GLN 67 Ca 0.05 -0.05 -0.22 0.00 -0.00 0.00 0.00 58.65 58.42 1nkl h GLN 67 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 27.32 1nkl h GLN 67 CO -0.08 0.60 -1.03 0.00 0.00 0.00 0.00 178.83 178.32 1nkl h ALA 68 N 1.52 0.34 0.64 3.38 0.00 -1.56 -2.14 119.26 121.44 1nkl h ALA 68 Ca 0.47 -0.84 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1nkl h ALA 68 Cb 0.45 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1nkl h ALA 68 CO -0.26 1.05 -0.37 0.82 0.00 0.00 0.00 179.25 180.49 1nkl h ILE 69 N 0.06 0.25 -0.87 0.00 2.04 -0.25 -0.57 117.51 118.16 1nkl h ILE 69 Ca -0.06 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.88 1nkl h ILE 69 Cb 1.73 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 38.00 1nkl h ILE 69 CO 0.15 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.87 1nkl h VAL 71 N 0.94 1.00 -0.26 0.00 2.07 -1.26 0.16 116.25 118.91 1nkl h VAL 71 Ca 0.39 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1nkl h VAL 71 Cb 0.27 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1nkl h VAL 71 CO -0.15 0.14 0.07 -0.78 0.02 0.00 0.00 177.57 176.87 1nkl h ASP 72 N -0.46 0.05 -0.00 0.57 1.82 -0.13 0.46 116.42 118.72 1nkl h ASP 72 Ca -0.02 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1nkl h ASP 72 Cb 0.37 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.42 1nkl h ASP 72 CO 0.03 0.06 0.00 2.30 -1.61 0.00 0.00 179.24 180.02 1nkl n ILE 73 N -5.07 0.00 -2.82 2.25 -5.35 -0.41 -4.93 119.36 103.04 1nkl n ILE 73 Ca -0.01 -0.02 -0.04 0.00 -0.27 0.00 0.00 62.75 62.41 1nkl n ILE 73 Cb 0.11 -0.43 0.02 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 -0.91 -1.32 0.00 6.28 4.81 0.15 -4.99 118.16 122.19 1nkl n LYS 74 Ca 0.23 1.12 0.00 0.00 -0.87 0.00 0.00 58.31 58.79 1nkl n LYS 74 Cb 0.12 -4.99 0.00 0.00 0.02 0.00 0.00 35.03 30.19 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 -2.04 0.00 0.00 3.15 5.41 0.46 -4.98 119.36 121.36 1nkl n ILE 75 Ca -0.02 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1nkl n ILE 75 Cb 0.53 0.38 0.00 0.00 -0.71 0.00 0.00 39.64 39.84 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 -0.20 0.50 0.00 0.00 3.00 -1.26 -0.48 118.16 119.72 1nkl n LYS 77 Ca 0.00 -1.24 0.04 0.00 -0.00 0.00 0.00 58.31 57.11 1nkl n LYS 77 Cb 0.00 -0.67 0.21 0.00 0.00 0.00 0.00 35.03 34.57 1nkl n LYS 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79