#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 -1.05 1.61 3.20 -1.92 -1.25 116.97 117.57 1nkl h TYR 2 Ca 0.00 0.00 0.29 0.00 3.14 0.00 0.00 58.73 62.16 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 0.64 0.74 -1.64 0.00 0.00 178.16 177.90 1nkl h PHE 3 N 0.00 0.83 0.41 -3.82 0.04 -1.90 -1.06 116.94 111.44 1nkl h PHE 3 Ca 0.11 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 1nkl h PHE 3 Cb 0.72 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 1nkl h PHE 3 CO 0.00 -0.02 -0.43 0.00 -0.60 0.00 0.00 178.31 177.26 1nkl h GLU 5 N -0.86 0.09 -0.16 0.00 4.22 -1.58 -0.27 114.58 116.02 1nkl h GLU 5 Ca -0.04 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.44 1nkl h GLU 5 Cb 0.76 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.92 1nkl h GLU 5 CO -0.07 0.06 -0.41 0.77 -2.18 0.00 0.00 179.01 177.18 1nkl h SER 6 N 0.10 -1.29 -0.22 1.04 0.02 -1.05 0.19 113.55 112.33 1nkl h SER 6 Ca 0.04 0.18 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1nkl h SER 6 Cb 0.01 0.53 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1nkl h SER 6 CO -0.04 -0.41 0.11 0.00 -1.14 0.00 0.00 176.83 175.35 1nkl h ARG 8 N 0.23 0.00 -0.19 0.00 2.43 -0.51 0.55 114.38 116.89 1nkl h ARG 8 Ca 0.09 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1nkl h ARG 8 Cb 0.03 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1nkl h ARG 8 CO -0.07 0.00 0.09 -0.22 -1.51 0.00 0.00 179.97 178.26 1nkl h LYS 9 N 0.00 0.18 0.28 0.20 3.64 -0.66 -0.07 116.57 120.15 1nkl h LYS 9 Ca 0.08 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1nkl h LYS 9 Cb 0.12 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1nkl h LYS 9 CO -0.17 0.12 -0.24 0.82 -2.27 0.00 0.00 179.45 177.72 1nkl h ILE 10 N 0.19 0.50 -0.37 2.00 2.04 -0.46 -1.40 117.51 120.01 1nkl h ILE 10 Ca 0.08 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 1nkl h ILE 10 Cb 0.02 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1nkl h ILE 10 CO -0.06 0.00 0.12 0.40 0.00 0.00 0.00 178.15 178.61 1nkl h ILE 11 N -0.53 1.21 -0.64 -0.67 1.08 -0.85 -2.55 117.51 114.55 1nkl h ILE 11 Ca -0.02 -0.68 0.05 0.00 -0.39 0.00 0.00 64.86 63.83 1nkl h ILE 11 Cb 0.47 0.96 -0.05 0.00 -3.07 0.00 0.00 36.82 35.14 1nkl h ILE 11 CO -0.02 0.24 0.36 1.56 -0.69 0.00 0.00 178.15 179.60 1nkl h GLN 12 N 0.44 0.67 0.00 2.37 1.08 -0.76 0.19 115.11 119.10 1nkl h GLN 12 Ca 0.12 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.22 1nkl h GLN 12 Cb 0.25 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 1nkl h GLN 12 CO -0.00 0.44 -0.30 -0.22 -0.95 0.00 0.00 178.83 177.80 1nkl h LYS 13 N 0.69 0.00 -0.09 1.46 1.63 -1.19 -0.98 116.57 118.09 1nkl h LYS 13 Ca 0.28 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.98 1nkl h LYS 13 Cb 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1nkl h LYS 13 CO -0.15 0.30 -0.34 1.25 -3.45 0.00 0.00 179.45 177.06 1nkl h LEU 14 N 0.00 0.45 -0.16 5.20 5.85 -0.64 -1.69 115.31 124.32 1nkl h LEU 14 Ca -0.00 -0.62 0.02 0.00 0.84 0.00 0.00 57.88 58.11 1nkl h LEU 14 Cb 0.56 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1nkl h LEU 14 CO 0.04 1.00 0.03 -0.08 -0.34 0.00 0.00 178.44 179.09 1nkl h GLU 15 N -0.07 0.09 -0.15 1.25 4.81 -0.57 0.13 114.58 120.07 1nkl h GLU 15 Ca -0.02 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1nkl h GLU 15 Cb 0.97 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 1nkl h GLU 15 CO 0.07 0.06 -0.05 0.22 -0.73 0.00 0.00 179.01 178.58 1nkl h ASP 16 N 0.09 -0.16 0.10 1.04 1.82 -1.26 -2.31 116.42 115.74 1nkl h ASP 16 Ca 0.07 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.76 1nkl h ASP 16 Cb 0.07 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.18 1nkl h ASP 16 CO -0.10 -0.06 -0.05 0.24 -1.61 0.00 0.00 179.24 177.66 1nkl h MET 17 N -0.01 -0.13 -0.34 0.28 2.86 -0.85 -3.09 114.93 113.64 1nkl h MET 17 Ca 0.08 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1nkl h MET 17 Cb 0.13 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1nkl h MET 17 CO -0.17 0.26 0.11 -0.24 1.06 0.00 0.00 176.91 177.93 1nkl h VAL 18 N -0.56 1.15 0.00 -2.22 3.04 -0.80 -3.48 116.25 113.37 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 0.46 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 1nkl h VAL 18 CO 0.02 0.18 0.00 0.61 -1.01 0.00 0.00 177.57 177.38 1nkl n GLY 19 N -1.16 0.46 3.50 3.17 0.00 -0.87 -4.87 105.19 105.43 1nkl n GLY 19 Ca 0.02 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.91 -0.40 1.61 0.04 -1.26 -4.75 135.00 128.33 1nkl s PRO 20 Ca 0.00 -0.10 -0.06 0.00 0.04 0.00 0.00 61.00 60.88 1nkl s PRO 20 Cb 0.00 -1.52 -0.12 0.00 0.04 0.00 0.00 34.50 32.90 1nkl s PRO 20 CO 0.00 -4.16 0.93 1.04 0.04 0.00 0.00 177.00 174.85 1nkl n GLN 21 N -5.07 0.00 -1.51 4.56 1.13 -1.26 -4.90 117.38 110.32 1nkl n GLN 21 Ca 0.14 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 55.04 1nkl n GLN 21 Cb 0.60 -0.46 0.10 0.00 0.11 0.00 0.00 30.24 30.59 1nkl n GLN 21 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1nkl n PRO 22 N 2.57 -0.32 -4.08 -1.09 -0.04 -1.26 -5.13 135.00 125.65 1nkl n PRO 22 Ca 0.27 -1.49 -0.09 0.00 -0.04 0.00 0.00 63.50 62.14 1nkl n PRO 22 Cb 0.04 -0.63 -0.10 0.00 -0.04 0.00 0.00 33.50 32.77 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 -3.78 0.63 0.35 3.54 4.22 -1.26 -4.96 114.94 113.67 1nkl s ASN 23 Ca 0.44 -0.80 0.15 0.00 -2.14 0.00 0.00 52.86 50.50 1nkl s ASN 23 Cb -0.02 0.13 1.14 0.00 1.28 0.00 0.00 41.25 43.78 1nkl s ASN 23 CO 0.30 -0.43 1.59 -0.08 -2.04 0.00 0.00 177.10 176.44 1nkl h GLU 24 N 3.70 0.06 0.34 3.55 4.57 -1.99 -0.95 114.58 123.86 1nkl h GLU 24 Ca -0.34 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.82 1nkl h GLU 24 Cb 1.17 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1nkl h GLU 24 CO 0.55 0.04 -0.17 0.22 -1.18 0.00 0.00 179.01 178.48 1nkl h ASP 25 N 0.06 -0.39 -0.97 1.04 3.58 -1.99 -2.29 116.42 115.47 1nkl h ASP 25 Ca 0.76 -0.14 0.13 0.00 0.42 0.00 0.00 57.03 58.20 1nkl h ASP 25 Cb 1.88 0.10 -0.08 0.00 1.72 0.00 0.00 39.33 42.95 1nkl h ASP 25 CO -0.78 0.06 0.61 0.74 -2.88 0.00 0.00 179.24 177.00 1nkl h THR 26 N -0.99 0.89 0.02 2.25 2.02 -1.65 0.22 112.91 115.67 1nkl h THR 26 Ca -0.05 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 1nkl h THR 26 Cb 0.51 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1nkl h THR 26 CO 0.08 0.16 -0.01 0.58 0.37 0.00 0.00 175.52 176.70 1nkl h VAL 27 N 0.90 1.11 -0.24 3.16 2.07 -1.32 0.02 116.25 121.95 1nkl h VAL 27 Ca 0.48 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.64 1nkl h VAL 27 Cb 0.57 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1nkl h VAL 27 CO -0.25 0.10 0.03 0.74 0.02 0.00 0.00 177.57 178.21 1nkl h THR 28 N -0.20 0.86 -0.15 2.57 2.02 -0.10 0.89 112.91 118.80 1nkl h THR 28 Ca -0.00 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 1nkl h THR 28 Cb 0.19 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1nkl h THR 28 CO 0.00 0.02 -0.10 0.06 0.37 0.00 0.00 175.52 175.87 1nkl h GLN 29 N 0.11 0.34 -0.93 6.66 3.07 -0.78 -0.07 115.11 123.52 1nkl h GLN 29 Ca 0.11 -0.16 0.05 0.00 0.09 0.00 0.00 58.65 58.74 1nkl h GLN 29 Cb 0.13 -0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.63 1nkl h GLN 29 CO -0.17 0.69 0.61 0.00 0.09 0.00 0.00 178.83 180.05 1nkl h ALA 30 N 0.65 1.44 0.02 0.06 0.00 -0.81 -2.33 119.26 118.30 1nkl h ALA 30 Ca 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1nkl h ALA 30 Cb 0.60 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1nkl h ALA 30 CO 0.03 0.44 -0.19 0.00 0.00 0.00 0.00 179.25 179.53 1nkl h ALA 31 N 1.48 -0.01 -0.32 0.00 0.00 -0.76 0.44 119.26 120.08 1nkl h ALA 31 Ca 0.38 -0.51 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1nkl h ALA 31 Cb 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1nkl h ALA 31 CO -0.13 0.07 0.37 0.66 0.00 0.00 0.00 179.25 180.22 1nkl h SER 32 N -0.75 0.00 0.15 0.00 4.64 -0.92 -0.50 113.55 116.16 1nkl h SER 32 Ca -0.03 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.93 1nkl h SER 32 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1nkl h SER 32 CO 0.04 0.00 -1.89 1.56 -0.87 0.00 0.00 176.83 175.67 1nkl h GLN 33 N 0.00 0.32 -0.85 4.77 1.08 -1.39 -3.28 115.11 115.76 1nkl h GLN 33 Ca 0.15 -0.54 0.09 0.00 -1.45 0.00 0.00 58.65 56.90 1nkl h GLN 33 Cb 0.90 0.20 -0.07 0.00 -0.05 0.00 0.00 27.48 28.46 1nkl h GLN 33 CO -0.00 1.26 0.51 -0.24 -0.95 0.00 0.00 178.83 179.40 1nkl h VAL 34 N 0.07 0.95 0.33 -0.54 3.04 0.15 0.44 116.25 120.69 1nkl h VAL 34 Ca -0.39 -0.30 -0.02 0.00 -1.01 0.00 0.00 66.70 64.99 1nkl h VAL 34 Cb 2.05 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1nkl h VAL 34 CO 0.12 0.16 -0.16 0.00 -1.01 0.00 0.00 177.57 176.68 1nkl h ASP 36 N -0.87 0.56 0.02 0.00 1.82 -1.35 -2.78 116.42 113.82 1nkl h ASP 36 Ca -0.05 0.09 -0.21 0.00 -0.39 0.00 0.00 57.03 56.47 1nkl h ASP 36 Cb 0.53 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.53 1nkl h ASP 36 CO 0.07 0.24 -0.77 0.50 -1.61 0.00 0.00 179.24 177.68 1nkl h LYS 37 N 0.65 0.64 -6.02 0.28 3.64 -0.95 -3.39 116.57 111.41 1nkl h LYS 37 Ca 0.46 -0.52 -0.48 0.00 -1.27 0.00 0.00 60.65 58.84 1nkl h LYS 37 Cb 0.63 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.51 1nkl h LYS 37 CO -0.35 1.14 1.18 -0.51 -2.27 0.00 0.00 179.45 178.64 1nkl s LEU 38 N -8.22 3.25 0.64 5.20 1.43 -0.09 -4.96 118.68 115.93 1nkl s LEU 38 Ca -0.08 -0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 1nkl s LEU 38 Cb 0.09 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 1nkl s LEU 38 CO 0.88 -2.25 1.04 -1.59 0.23 0.00 0.00 176.35 174.66 1nkl s LYS 39 N 6.56 3.37 0.00 1.70 -2.85 -1.26 -1.28 119.74 125.97 1nkl s LYS 39 Ca 0.59 0.87 0.00 0.00 -1.00 0.00 0.00 55.97 56.43 1nkl s LYS 39 Cb -0.09 -2.05 0.00 0.00 -2.06 0.00 0.00 37.83 33.63 1nkl s LYS 39 CO 0.12 -0.75 0.00 -0.89 0.10 0.00 0.00 175.35 173.93 1nkl n ILE 40 N -2.74 0.00 1.63 3.79 2.08 -1.26 -4.42 119.36 118.44 1nkl n ILE 40 Ca 0.07 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.42 1nkl n ILE 40 Cb 0.54 0.00 0.17 0.00 -0.75 0.00 0.00 39.64 39.60 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 0.65 -0.19 1.39 7.94 -1.22 -3.71 117.00 121.87 1nkl n LEU 41 Ca 0.00 -0.31 -0.05 0.00 -1.11 0.00 0.00 56.01 54.54 1nkl n LEU 41 Cb 0.00 -0.07 0.05 0.00 0.53 0.00 0.00 43.42 43.93 1nkl n LEU 41 CO 0.00 0.16 1.08 -0.09 -1.11 0.00 0.00 177.39 177.42 1nkl h ARG 42 N 0.75 0.64 0.00 1.96 2.43 -1.33 -1.15 114.38 117.68 1nkl h ARG 42 Ca 0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1nkl h ARG 42 Cb 0.17 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1nkl h ARG 42 CO 0.00 0.42 -0.04 0.78 -1.51 0.00 0.00 179.97 179.62 1nkl h GLY 43 N 0.66 0.00 0.00 2.80 0.00 -1.88 -0.73 103.07 103.93 1nkl h GLY 43 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1nkl h GLY 43 CO -0.11 0.00 -0.07 -2.00 0.00 0.00 0.00 176.54 174.37 1nkl h LEU 44 N 0.00 0.00 -0.30 3.11 6.46 -1.62 -3.32 115.31 119.63 1nkl h LEU 44 Ca -0.00 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 1nkl h LEU 44 Cb 0.08 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 39.93 1nkl h LEU 44 CO 0.01 0.48 -0.24 0.00 -0.62 0.00 0.00 178.44 178.06 1nkl h LYS 46 N -0.22 1.04 -0.56 0.00 1.79 -1.36 -1.78 116.57 115.48 1nkl h LYS 46 Ca 0.16 -0.06 -0.11 0.00 -2.18 0.00 0.00 60.65 58.46 1nkl h LYS 46 Cb 0.47 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 1nkl h LYS 46 CO -0.43 0.69 -0.07 -0.22 -1.08 0.00 0.00 179.45 178.33 1nkl h LYS 47 N 1.07 1.04 -0.05 3.15 3.64 -1.32 -0.81 116.57 123.29 1nkl h LYS 47 Ca 0.37 -0.36 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1nkl h LYS 47 Cb 0.12 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 1nkl h LYS 47 CO -0.13 1.05 -0.23 0.82 -2.27 0.00 0.00 179.45 178.70 1nkl h ILE 48 N 0.93 0.46 -0.58 2.00 1.08 -0.27 -2.49 117.51 118.64 1nkl h ILE 48 Ca 0.15 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.58 1nkl h ILE 48 Cb 0.63 0.46 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 1nkl h ILE 48 CO 0.04 0.00 0.20 0.24 -0.69 0.00 0.00 178.15 177.95 1nkl h MET 49 N -0.34 0.86 -0.78 2.37 2.86 -1.15 0.16 114.93 118.91 1nkl h MET 49 Ca 0.07 -0.15 0.14 0.00 -2.06 0.00 0.00 59.70 57.71 1nkl h MET 49 Cb 0.44 -0.14 -0.09 0.00 0.06 0.00 0.00 31.60 31.86 1nkl h MET 49 CO -0.24 0.73 0.35 -0.09 1.06 0.00 0.00 176.91 178.72 1nkl h ARG 50 N 0.84 0.49 0.00 1.72 1.12 -0.70 0.47 114.38 118.32 1nkl h ARG 50 Ca 0.20 -0.03 -0.19 0.00 -1.11 0.00 0.00 59.98 58.85 1nkl h ARG 50 Cb 0.21 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 30.03 1nkl h ARG 50 CO -0.01 0.32 -1.38 1.03 -3.11 0.00 0.00 179.97 176.82 1nkl h SER 51 N 0.50 0.00 -0.32 -3.80 0.87 -1.06 -3.42 113.55 106.32 1nkl h SER 51 Ca 0.43 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.77 1nkl h SER 51 Cb 0.64 0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 62.25 1nkl h SER 51 CO -0.39 0.68 -0.95 0.49 -0.53 0.00 0.00 176.83 176.13 1nkl n PHE 52 N -2.97 0.57 0.40 2.24 3.72 0.48 -5.01 117.46 116.89 1nkl n PHE 52 Ca -0.10 -1.94 -0.18 0.00 -0.05 0.00 0.00 57.45 55.19 1nkl n PHE 52 Cb 0.88 0.11 -0.09 0.00 -0.94 0.00 0.00 39.48 39.44 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 2.18 -1.10 -2.36 4.37 6.46 -1.10 -1.53 115.31 122.24 1nkl h LEU 53 Ca -0.21 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.61 1nkl h LEU 53 Cb 1.32 0.32 -0.00 0.00 -0.73 0.00 0.00 40.66 41.56 1nkl h LEU 53 CO 0.10 -0.68 -0.01 -0.09 -0.62 0.00 0.00 178.44 177.14 1nkl h ARG 54 N -1.09 0.00 -0.36 1.25 2.43 -1.95 0.27 114.38 114.93 1nkl h ARG 54 Ca -0.10 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.96 1nkl h ARG 54 Cb 0.87 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1nkl h ARG 54 CO 0.11 0.01 -0.19 0.00 -1.51 0.00 0.00 179.97 178.38 1nkl h ARG 55 N 0.00 0.76 0.00 0.20 3.08 -1.73 -0.73 114.38 115.97 1nkl h ARG 55 Ca -0.00 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.71 1nkl h ARG 55 Cb 0.21 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1nkl h ARG 55 CO 0.00 0.96 -0.01 0.82 -1.07 0.00 0.00 179.97 180.67 1nkl h ILE 56 N 0.55 0.70 0.52 2.04 1.08 -0.01 0.12 117.51 122.51 1nkl h ILE 56 Ca 0.08 -0.06 -0.03 0.00 -0.39 0.00 0.00 64.86 64.47 1nkl h ILE 56 Cb 0.74 1.03 0.01 0.00 -3.07 0.00 0.00 36.82 35.53 1nkl h ILE 56 CO 0.06 0.01 -0.25 -1.28 -0.69 0.00 0.00 178.15 176.00 1nkl h SER 57 N 0.00 -0.60 -0.80 1.72 0.87 -0.97 -2.84 113.55 110.93 1nkl h SER 57 Ca -0.00 -0.03 0.18 0.00 -1.23 0.00 0.00 61.79 60.71 1nkl h SER 57 Cb 0.03 0.15 -0.15 0.00 -0.44 0.00 0.00 62.40 62.00 1nkl h SER 57 CO 0.00 -0.19 -0.09 -0.25 -0.53 0.00 0.00 176.83 175.77 1nkl h TRP 58 N -1.13 -0.22 0.07 2.24 7.01 -0.53 0.57 115.95 123.96 1nkl h TRP 58 Ca -0.07 0.07 0.01 0.00 2.11 0.00 0.00 58.89 61.01 1nkl h TRP 58 Cb 0.59 0.23 -0.05 0.00 -2.10 0.00 0.00 29.16 27.82 1nkl h TRP 58 CO 0.01 -0.31 -0.50 -0.44 -2.79 0.00 0.00 178.44 174.40 1nkl h ASP 59 N 0.04 -1.53 -0.30 2.65 3.32 -0.77 0.71 116.42 120.53 1nkl h ASP 59 Ca 0.42 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.63 1nkl h ASP 59 Cb 0.72 0.57 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 1nkl h ASP 59 CO -0.77 -0.51 0.17 0.40 -1.72 0.00 0.00 179.24 176.80 1nkl h ILE 60 N -0.68 1.13 -0.94 0.35 5.03 -1.19 -2.09 117.51 119.12 1nkl h ILE 60 Ca 0.00 -0.33 -0.00 0.00 -0.12 0.00 0.00 64.86 64.41 1nkl h ILE 60 Cb 0.70 0.80 -0.05 0.00 -3.03 0.00 0.00 36.82 35.25 1nkl h ILE 60 CO -0.30 0.13 0.58 -0.07 -0.68 0.00 0.00 178.15 177.81 1nkl h LEU 61 N 0.37 1.12 -0.14 1.44 3.38 -0.55 0.51 115.31 121.44 1nkl h LEU 61 Ca 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1nkl h LEU 61 Cb 0.06 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1nkl h LEU 61 CO -0.02 0.85 0.00 0.35 0.09 0.00 0.00 178.44 179.71 1nkl n THR 62 N -4.36 0.03 -4.22 0.22 -2.24 0.21 -4.91 114.28 99.01 1nkl n THR 62 Ca 0.11 -0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.55 1nkl n THR 62 Cb 0.05 -0.01 -0.09 0.00 -2.10 0.00 0.00 70.33 68.17 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 0.51 -0.16 3.82 3.38 0.00 0.17 -4.92 105.19 107.98 1nkl n GLY 63 Ca 0.01 0.15 -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 -7.05 4.16 0.70 1.61 2.20 -0.79 -5.02 119.74 115.56 1nkl s LYS 64 Ca 0.14 0.72 -0.12 0.00 -0.36 0.00 0.00 55.97 56.34 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 0.94 0.50 1.08 0.15 -0.36 0.00 0.00 175.35 177.66 1nkl s LYS 65 N -1.67 2.69 0.11 4.03 -0.14 -1.26 -4.74 119.74 118.76 1nkl s LYS 65 Ca 0.37 1.17 -0.21 0.00 -1.36 0.00 0.00 55.97 55.93 1nkl s LYS 65 Cb -0.17 -1.95 -0.08 0.00 -1.68 0.00 0.00 37.83 33.94 1nkl s LYS 65 CO 0.20 -1.30 1.73 -1.00 -0.76 0.00 0.00 175.35 174.22 1nkl h PRO 66 N -0.56 0.05 -0.02 -1.68 0.13 -1.95 0.27 132.00 128.25 1nkl h PRO 66 Ca -0.45 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1nkl h PRO 66 Cb 1.23 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1nkl h PRO 66 CO 0.54 0.03 -0.04 0.37 -0.23 0.00 0.00 178.00 178.67 1nkl h GLN 67 N 0.05 0.02 0.18 0.86 4.15 -1.92 -1.74 115.11 116.71 1nkl h GLN 67 Ca 0.05 -0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.19 1nkl h GLN 67 Cb 0.06 -0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.77 1nkl h GLN 67 CO -0.09 0.07 -1.20 0.00 -1.93 0.00 0.00 178.83 175.68 1nkl h ALA 68 N 1.94 -0.09 -0.16 3.38 0.00 -1.65 -3.24 119.26 119.44 1nkl h ALA 68 Ca 0.00 -0.78 0.05 0.00 0.00 0.00 0.00 54.91 54.19 1nkl h ALA 68 Cb 0.09 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1nkl h ALA 68 CO 0.01 0.59 -0.31 0.82 0.00 0.00 0.00 179.25 180.36 1nkl h ILE 69 N 0.04 0.30 -0.95 0.00 2.04 -0.14 -0.09 117.51 118.71 1nkl h ILE 69 Ca -0.20 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.67 1nkl h ILE 69 Cb 1.92 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.26 1nkl h ILE 69 CO 0.23 0.00 0.62 0.00 0.00 0.00 0.00 178.15 179.00 1nkl h VAL 71 N 1.29 1.32 0.08 0.00 2.07 -1.42 0.27 116.25 119.86 1nkl h VAL 71 Ca 0.35 -1.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.08 1nkl h VAL 71 Cb -0.14 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1nkl h VAL 71 CO -0.07 0.55 -0.04 -0.78 0.02 0.00 0.00 177.57 177.25 1nkl h ASP 72 N 0.43 -0.09 0.05 0.57 1.82 -0.41 -2.72 116.42 116.07 1nkl h ASP 72 Ca 0.01 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 1nkl h ASP 72 Cb 1.07 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.11 1nkl h ASP 72 CO 0.10 0.07 -0.02 2.30 -1.61 0.00 0.00 179.24 180.08 1nkl n ILE 73 N -5.07 0.00 -1.95 2.25 -5.35 -0.89 -4.98 119.36 103.37 1nkl n ILE 73 Ca -0.08 -0.13 -0.01 0.00 -0.27 0.00 0.00 62.75 62.27 1nkl n ILE 73 Cb 0.13 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 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 -0.45 -1.14 0.00 6.28 4.81 -0.91 -5.06 118.16 121.69 1nkl n LYS 74 Ca 0.20 1.26 0.00 0.00 -0.87 0.00 0.00 58.31 58.90 1nkl n LYS 74 Cb 0.25 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.60 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 0.05 0.00 0.00 3.15 2.08 0.89 -5.00 119.36 120.53 1nkl n ILE 75 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 1nkl n ILE 75 Cb 0.05 -0.02 0.00 0.00 -0.75 0.00 0.00 39.64 38.92 1nkl n ILE 75 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nkl n LYS 77 N -0.22 0.74 0.00 0.00 3.00 -1.26 -0.11 118.16 120.31 1nkl n LYS 77 Ca 0.00 -1.98 0.14 0.00 -0.00 0.00 0.00 58.31 56.47 1nkl n LYS 77 Cb 0.00 -1.44 0.60 0.00 0.00 0.00 0.00 35.03 34.20 1nkl n LYS 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79