#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka6 n PRO 2 N 0.00 0.00 0.27 1.43 -0.04 -1.26 -3.25 135.00 132.15 2ka6 n PRO 2 Ca 0.00 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.62 2ka6 n PRO 2 Cb 0.00 -0.65 0.65 0.00 -0.04 0.00 0.00 33.50 33.46 2ka6 n PRO 2 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2ka6 h GLN 3 N 0.00 0.00 -0.98 0.54 4.20 -2.06 -3.06 115.11 113.75 2ka6 h GLN 3 Ca 0.00 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 2ka6 h GLN 3 Cb 0.00 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.70 2ka6 h GLN 3 CO 0.00 0.05 0.62 0.93 -0.67 0.00 0.00 178.83 179.77 2ka6 h GLU 4 N 0.00 0.97 -0.98 1.46 3.07 -1.99 -1.16 114.58 115.95 2ka6 h GLU 4 Ca -0.00 -0.06 0.06 0.00 -0.50 0.00 0.00 59.36 58.86 2ka6 h GLU 4 Cb 0.55 -0.22 -0.06 0.00 -0.84 0.00 0.00 28.75 28.18 2ka6 h GLU 4 CO 0.01 0.64 0.63 1.03 -1.40 0.00 0.00 179.01 179.92 2ka6 h SER 5 N 1.00 1.01 0.21 1.42 0.87 -1.51 -0.05 113.55 116.50 2ka6 h SER 5 Ca 0.47 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.03 2ka6 h SER 5 Cb 0.43 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2ka6 h SER 5 CO -0.23 0.65 -0.10 0.03 -0.53 0.00 0.00 176.83 176.65 2ka6 h ARG 6 N 1.15 -0.27 -0.32 2.24 3.08 -1.46 -2.64 114.38 116.16 2ka6 h ARG 6 Ca 0.42 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.55 2ka6 h ARG 6 Cb 0.16 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 2ka6 h ARG 6 CO -0.16 0.08 -0.05 0.00 -1.07 0.00 0.00 179.97 178.77 2ka6 h ARG 7 N -0.67 0.03 -0.42 0.04 3.08 -0.84 -1.04 114.38 114.58 2ka6 h ARG 7 Ca -0.03 -0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 2ka6 h ARG 7 Cb 0.47 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2ka6 h ARG 7 CO 0.05 0.02 -0.23 -0.07 -1.07 0.00 0.00 179.97 178.66 2ka6 h LEU 8 N 0.03 0.86 -0.82 3.04 3.38 -1.13 -2.85 115.31 117.82 2ka6 h LEU 8 Ca 0.16 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 2ka6 h LEU 8 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2ka6 h LEU 8 CO -0.31 1.06 -0.17 0.28 0.09 0.00 0.00 178.44 179.39 2ka6 h SER 9 N 0.73 0.70 -0.85 -0.43 0.02 -1.06 -2.72 113.55 109.94 2ka6 h SER 9 Ca 0.10 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 2ka6 h SER 9 Cb 0.77 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 2ka6 h SER 9 CO 0.06 0.88 0.42 0.40 -1.14 0.00 0.00 176.83 177.45 2ka6 h ILE 10 N 0.63 1.26 -1.00 3.27 2.04 -1.09 -1.45 117.51 121.17 2ka6 h ILE 10 Ca 0.10 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.27 2ka6 h ILE 10 Cb 0.64 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 2ka6 h ILE 10 CO 0.05 0.30 0.65 1.56 0.00 0.00 0.00 178.15 180.71 2ka6 h GLN 11 N 1.20 1.32 -0.60 2.37 1.08 -1.28 0.39 115.11 119.59 2ka6 h GLN 11 Ca 0.29 -0.08 -0.05 0.00 -1.45 0.00 0.00 58.65 57.36 2ka6 h GLN 11 Cb 0.10 -0.29 -0.03 0.00 -0.05 0.00 0.00 27.48 27.20 2ka6 h GLN 11 CO -0.04 0.88 0.19 0.00 -0.95 0.00 0.00 178.83 178.90 2ka6 h ARG 12 N 1.35 0.91 -0.60 1.46 2.47 -1.11 -0.87 114.38 117.99 2ka6 h ARG 12 Ca 0.36 -0.17 -0.09 0.00 -1.26 0.00 0.00 59.98 58.82 2ka6 h ARG 12 Cb -0.15 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.01 2ka6 h ARG 12 CO -0.08 0.78 0.01 0.00 0.56 0.00 0.00 179.97 181.24 2ka6 h ILE 14 N 0.95 1.07 -0.76 0.00 2.04 -0.49 -0.22 117.51 120.11 2ka6 h ILE 14 Ca 0.17 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.91 2ka6 h ILE 14 Cb 0.55 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 2ka6 h ILE 14 CO 0.03 0.07 0.45 1.56 0.00 0.00 0.00 178.15 180.26 2ka6 h GLN 15 N 0.24 0.81 -0.46 2.37 4.20 -1.05 0.16 115.11 121.38 2ka6 h GLN 15 Ca 0.07 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 2ka6 h GLN 15 Cb 0.01 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 2ka6 h GLN 15 CO -0.01 0.54 0.17 0.77 -0.67 0.00 0.00 178.83 179.62 2ka6 h SER 16 N 0.84 0.64 -0.38 1.46 0.02 -0.84 -0.54 113.55 114.75 2ka6 h SER 16 Ca 0.33 -0.18 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 2ka6 h SER 16 Cb 0.16 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2ka6 h SER 16 CO -0.17 0.65 -0.19 0.25 -1.14 0.00 0.00 176.83 176.23 2ka6 h LEU 17 N 0.60 0.83 -0.55 5.07 5.85 -0.71 -1.06 115.31 125.34 2ka6 h LEU 17 Ca 0.15 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.48 2ka6 h LEU 17 Cb 0.22 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2ka6 h LEU 17 CO -0.01 1.06 0.35 0.58 -0.34 0.00 0.00 178.44 180.08 2ka6 h VAL 18 N 0.61 1.11 0.38 1.05 2.07 -0.89 -0.23 116.25 120.35 2ka6 h VAL 18 Ca 0.08 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2ka6 h VAL 18 Cb 0.74 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2ka6 h VAL 18 CO 0.06 0.13 -0.20 -0.74 0.02 0.00 0.00 177.57 176.84 2ka6 h HIS 19 N 0.71 -0.51 -0.51 1.57 -0.00 -1.01 -3.02 115.15 112.38 2ka6 h HIS 19 Ca 0.21 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.66 2ka6 h HIS 19 Cb -0.04 0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 2ka6 h HIS 19 CO -0.05 -0.31 0.34 0.00 -0.00 0.00 0.00 177.93 177.91 2ka6 h ALA 20 N 0.08 2.07 0.00 5.26 0.00 -0.86 0.99 119.26 126.80 2ka6 h ALA 20 Ca -0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ka6 h ALA 20 Cb 0.42 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2ka6 h ALA 20 CO 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 179.25 179.13 2ka6 n GLN 22 N -3.13 1.12 -1.40 0.00 6.02 -0.38 -4.94 117.38 114.67 2ka6 n GLN 22 Ca -0.01 0.04 -0.31 0.00 -0.01 0.00 0.00 57.00 56.71 2ka6 n GLN 22 Cb 0.23 -1.38 0.08 0.00 1.02 0.00 0.00 30.24 30.19 2ka6 n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ka6 n ARG 24 N -3.26 4.20 -1.73 0.00 5.12 -1.26 -4.87 116.66 114.85 2ka6 n ARG 24 Ca 0.09 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.59 2ka6 n ARG 24 Cb 0.53 -0.58 -0.02 0.00 -1.16 0.00 0.00 32.46 31.23 2ka6 n ARG 24 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2ka6 n ASN 25 N -0.38 3.62 0.22 0.55 2.85 -1.26 -4.92 115.26 115.94 2ka6 n ASN 25 Ca 0.00 1.15 0.07 0.00 -0.11 0.00 0.00 54.58 55.69 2ka6 n ASN 25 Cb 0.00 -1.56 0.50 0.00 1.24 0.00 0.00 39.78 39.96 2ka6 n ASN 25 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ka6 h ALA 26 N 4.48 1.33 -0.86 5.20 0.00 -1.98 -3.31 119.26 124.12 2ka6 h ALA 26 Ca -0.47 -0.23 -0.40 0.00 0.00 0.00 0.00 54.91 53.81 2ka6 h ALA 26 Cb 1.24 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 18.58 2ka6 h ALA 26 CO 0.77 0.32 -1.02 0.09 0.00 0.00 0.00 179.25 179.41 2ka6 n ASN 27 N -3.87 2.75 -4.57 0.00 5.03 -1.26 -4.85 115.26 108.49 2ka6 n ASN 27 Ca -0.02 -2.87 -0.40 0.00 0.87 0.00 0.00 54.58 52.17 2ka6 n ASN 27 Cb 0.34 -0.46 0.03 0.00 -1.02 0.00 0.00 39.78 38.66 2ka6 n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ka6 h SER 29 N 0.96 0.00 -3.36 0.00 4.64 -2.00 -3.42 113.55 110.38 2ka6 h SER 29 Ca -0.45 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.32 2ka6 h SER 29 Cb 1.36 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.42 2ka6 h SER 29 CO 0.53 0.00 0.34 -0.76 -0.87 0.00 0.00 176.83 176.07 2ka6 s LEU 30 N -5.16 4.31 0.33 5.97 1.43 -1.26 -4.97 118.68 119.34 2ka6 s LEU 30 Ca -0.02 1.47 0.05 0.00 -1.03 0.00 0.00 54.13 54.60 2ka6 s LEU 30 Cb 0.09 -3.42 0.59 0.00 0.03 0.00 0.00 46.19 43.49 2ka6 s LEU 30 CO 0.31 -0.27 1.85 1.55 0.23 0.00 0.00 176.35 180.01 2ka6 h PRO 31 N 6.90 0.45 -0.08 1.29 0.13 -2.01 -3.12 132.00 135.57 2ka6 h PRO 31 Ca -0.38 -0.11 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 2ka6 h PRO 31 Cb 1.19 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2ka6 h PRO 31 CO 0.78 0.55 -0.32 0.66 -0.23 0.00 0.00 178.00 179.44 2ka6 h SER 32 N 0.43 0.41 -0.64 1.44 4.64 -1.94 -3.31 113.55 114.57 2ka6 h SER 32 Ca 0.08 -0.64 0.14 0.00 -0.47 0.00 0.00 61.79 60.90 2ka6 h SER 32 Cb 0.42 -0.12 -0.11 0.00 -0.31 0.00 0.00 62.40 62.28 2ka6 h SER 32 CO 0.02 0.98 -0.01 0.00 -0.87 0.00 0.00 176.83 176.95 2ka6 h GLN 34 N 0.11 0.76 0.12 0.00 4.20 -1.66 -1.40 115.11 117.24 2ka6 h GLN 34 Ca 0.34 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.82 2ka6 h GLN 34 Cb 0.55 -0.17 0.02 0.00 0.30 0.00 0.00 27.48 28.18 2ka6 h GLN 34 CO -0.56 0.50 -0.76 -0.22 -0.67 0.00 0.00 178.83 177.12 2ka6 h LYS 35 N 0.78 0.30 -0.88 1.46 3.64 -1.19 -3.23 116.57 117.45 2ka6 h LYS 35 Ca 0.38 -0.49 0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2ka6 h LYS 35 Cb 0.43 0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 2ka6 h LYS 35 CO -0.15 1.22 0.57 0.52 -2.27 0.00 0.00 179.45 179.35 2ka6 h MET 36 N -0.36 0.94 -0.21 1.90 2.86 -0.43 0.03 114.93 119.66 2ka6 h MET 36 Ca -0.13 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 2ka6 h MET 36 Cb 1.59 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 33.03 2ka6 h MET 36 CO 0.14 0.62 0.05 0.87 1.06 0.00 0.00 176.91 179.66 2ka6 h LYS 37 N 0.97 0.33 -0.44 1.72 1.57 -1.38 -0.88 116.57 118.46 2ka6 h LYS 37 Ca 0.39 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 59.04 2ka6 h LYS 37 Cb 0.26 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2ka6 h LYS 37 CO -0.15 0.45 0.07 0.00 -0.57 0.00 0.00 179.45 179.25 2ka6 h ARG 38 N 0.15 0.68 0.40 3.15 3.08 -1.37 -0.87 114.38 119.61 2ka6 h ARG 38 Ca 0.07 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2ka6 h ARG 38 Cb 0.27 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2ka6 h ARG 38 CO 0.00 0.65 -0.19 0.28 -1.07 0.00 0.00 179.97 179.64 2ka6 h VAL 39 N 0.66 0.60 -0.55 2.04 2.07 -0.90 -1.05 116.25 119.11 2ka6 h VAL 39 Ca 0.14 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 2ka6 h VAL 39 Cb 0.31 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2ka6 h VAL 39 CO 0.00 0.06 0.15 1.62 0.02 0.00 0.00 177.57 179.42 2ka6 h VAL 40 N -0.72 1.24 -0.92 2.57 3.04 -1.01 -2.10 116.25 118.35 2ka6 h VAL 40 Ca -0.05 -0.84 0.06 0.00 -1.01 0.00 0.00 66.70 64.85 2ka6 h VAL 40 Cb 0.51 0.75 -0.06 0.00 -2.01 0.00 0.00 31.29 30.47 2ka6 h VAL 40 CO 0.09 0.31 0.58 1.56 -1.01 0.00 0.00 177.57 179.10 2ka6 h GLN 41 N 0.77 1.03 0.83 4.17 1.08 -1.19 0.36 115.11 122.16 2ka6 h GLN 41 Ca 0.17 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.27 2ka6 h GLN 41 Cb 0.32 -0.23 0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2ka6 h GLN 41 CO -0.00 0.68 -0.40 1.25 -0.95 0.00 0.00 178.83 179.41 2ka6 h HIS 42 N 1.06 -1.03 -0.41 2.96 -0.00 -0.92 -3.24 115.15 113.56 2ka6 h HIS 42 Ca 0.40 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.75 2ka6 h HIS 42 Cb 0.17 0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.90 2ka6 h HIS 42 CO -0.02 -0.63 0.27 1.15 -0.00 0.00 0.00 177.93 178.70 2ka6 h THR 43 N -1.18 1.10 0.00 6.26 2.02 -1.07 -1.19 112.91 118.85 2ka6 h THR 43 Ca -0.11 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.88 2ka6 h THR 43 Cb 0.86 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2ka6 h THR 43 CO 0.19 0.10 0.18 0.11 0.37 0.00 0.00 175.52 176.47 2ka6 h LYS 44 N 0.55 0.00 0.00 6.66 1.57 -0.96 -3.05 116.57 121.35 2ka6 h LYS 44 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2ka6 h LYS 44 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2ka6 h LYS 44 CO -0.03 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.26 2ka6 n GLY 45 N -1.21 0.66 3.72 3.86 0.00 -0.74 -5.08 105.19 106.40 2ka6 n GLY 45 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2ka6 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka6 n LYS 47 N 3.89 2.38 -0.02 0.00 4.76 -1.26 -4.57 118.16 123.34 2ka6 n LYS 47 Ca 0.13 -2.05 -0.02 0.00 -2.87 0.00 0.00 58.31 53.50 2ka6 n LYS 47 Cb 0.39 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.09 2ka6 n LYS 47 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2ka6 n ARG 48 N 1.34 0.14 0.00 1.97 1.74 -1.26 -4.86 116.66 115.72 2ka6 n ARG 48 Ca 0.17 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 2ka6 n ARG 48 Cb 0.58 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 31.11 2ka6 n ARG 48 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2ka6 n LYS 49 N -2.97 0.00 -0.09 5.56 2.85 -1.26 -0.67 118.16 121.58 2ka6 n LYS 49 Ca -0.03 0.00 0.19 0.00 -1.05 0.00 0.00 58.31 57.42 2ka6 n LYS 49 Cb 0.10 0.00 0.62 0.00 -0.65 0.00 0.00 35.03 35.10 2ka6 n LYS 49 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2ka6 h THR 50 N 0.00 0.74 -0.07 0.58 1.35 -1.92 0.13 112.91 113.72 2ka6 h THR 50 Ca 0.00 -0.06 -0.22 0.00 -0.55 0.00 0.00 66.41 65.58 2ka6 h THR 50 Cb 0.00 0.55 0.01 0.00 -1.73 0.00 0.00 68.15 66.98 2ka6 h THR 50 CO 0.00 0.03 -0.85 -1.13 -0.25 0.00 0.00 175.52 173.32 2ka6 h ASN 51 N 0.17 0.73 0.30 5.36 -0.73 -1.97 -3.37 115.58 116.09 2ka6 h ASN 51 Ca 0.32 -0.52 -0.29 0.00 1.87 0.00 0.00 56.30 57.68 2ka6 h ASN 51 Cb 1.03 -0.22 -0.05 0.00 0.27 0.00 0.00 38.32 39.34 2ka6 h ASN 51 CO -0.05 1.31 -1.95 0.61 -0.37 0.00 0.00 177.43 176.97 2ka6 n GLY 52 N 0.78 -1.03 0.00 1.57 0.00 0.15 -5.03 105.19 101.64 2ka6 n GLY 52 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2ka6 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka6 n GLY 53 N 1.60 1.20 3.70 -0.02 0.00 -0.02 -4.96 105.19 106.69 2ka6 n GLY 53 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2ka6 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka6 h PRO 55 N 8.04 0.00 0.00 0.00 0.13 -1.99 -3.27 132.00 134.91 2ka6 h PRO 55 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2ka6 h PRO 55 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ka6 h PRO 55 CO 0.95 0.00 -0.02 0.28 -0.23 0.00 0.00 178.00 178.98 2ka6 h VAL 56 N 0.00 0.00 -0.50 1.56 2.07 -1.98 -3.17 116.25 114.23 2ka6 h VAL 56 Ca 0.00 -0.94 0.10 0.00 0.82 0.00 0.00 66.70 66.68 2ka6 h VAL 56 Cb 0.73 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.40 2ka6 h VAL 56 CO 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.43 2ka6 h LYS 58 N -0.04 0.00 0.15 0.00 3.64 -1.74 -2.76 116.57 115.83 2ka6 h LYS 58 Ca 0.24 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.32 2ka6 h LYS 58 Cb 0.40 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2ka6 h LYS 58 CO -0.53 0.00 -1.47 0.37 -2.27 0.00 0.00 179.45 175.55 2ka6 h GLN 59 N 0.00 0.33 -0.17 1.90 4.15 -0.87 -3.22 115.11 117.23 2ka6 h GLN 59 Ca 0.01 -0.56 0.03 0.00 0.77 0.00 0.00 58.65 58.91 2ka6 h GLN 59 Cb 0.09 0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 2ka6 h GLN 59 CO -0.00 1.27 -0.02 -0.07 -1.93 0.00 0.00 178.83 178.08 2ka6 h LEU 60 N -0.14 -0.11 -1.45 -2.39 4.07 -1.10 -2.29 115.31 111.91 2ka6 h LEU 60 Ca -0.30 0.04 -0.00 0.00 0.08 0.00 0.00 57.88 57.71 2ka6 h LEU 60 Cb 1.90 0.09 -0.03 0.00 1.08 0.00 0.00 40.66 43.70 2ka6 h LEU 60 CO 0.13 -0.03 0.31 0.40 -1.08 0.00 0.00 178.44 178.17 2ka6 h ILE 61 N 0.03 1.14 0.08 1.22 2.04 -1.67 0.21 117.51 120.55 2ka6 h ILE 61 Ca 0.08 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 2ka6 h ILE 61 Cb 0.11 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2ka6 h ILE 61 CO -0.16 0.15 -0.04 0.00 0.00 0.00 0.00 178.15 178.10 2ka6 h ALA 62 N 1.65 -0.10 -0.98 1.87 0.00 -1.49 0.69 119.26 120.89 2ka6 h ALA 62 Ca 0.18 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2ka6 h ALA 62 Cb -0.04 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 2ka6 h ALA 62 CO -0.04 -0.45 0.62 1.25 0.00 0.00 0.00 179.25 180.64 2ka6 h LEU 63 N -0.32 0.96 -0.26 0.00 6.46 -0.80 -1.40 115.31 119.94 2ka6 h LEU 63 Ca -0.01 0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.66 2ka6 h LEU 63 Cb 0.28 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 2ka6 h LEU 63 CO 0.02 0.56 -0.28 0.00 -0.62 0.00 0.00 178.44 178.12 2ka6 h TYR 66 N 0.73 0.07 0.00 0.00 3.20 -1.30 -1.39 116.97 118.28 2ka6 h TYR 66 Ca 0.28 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.99 2ka6 h TYR 66 Cb 0.10 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 2ka6 h TYR 66 CO -0.06 0.03 -0.98 1.25 -1.64 0.00 0.00 178.16 176.76 2ka6 h HIS 67 N 0.06 0.00 -0.34 -3.82 2.76 -1.42 -3.41 115.15 108.97 2ka6 h HIS 67 Ca 0.27 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.54 2ka6 h HIS 67 Cb 0.99 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.94 2ka6 h HIS 67 CO -0.00 1.05 0.26 0.00 -1.30 0.00 0.00 177.93 177.93 2ka6 h ALA 68 N -0.61 2.29 -0.95 5.26 0.00 -0.37 -1.40 119.26 123.48 2ka6 h ALA 68 Ca -0.23 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.72 2ka6 h ALA 68 Cb 1.05 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 2ka6 h ALA 68 CO -0.14 -0.43 0.62 0.87 0.00 0.00 0.00 179.25 180.16 2ka6 h LYS 69 N 0.00 1.10 0.06 0.00 1.57 -1.49 -3.09 116.57 114.72 2ka6 h LYS 69 Ca 0.16 -0.07 -0.32 0.00 -1.87 0.00 0.00 60.65 58.55 2ka6 h LYS 69 Cb 0.67 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2ka6 h LYS 69 CO -0.00 0.73 -1.83 1.58 -0.57 0.00 0.00 179.45 179.36 2ka6 n HIS 70 N -4.48 1.14 -1.79 -1.35 -0.00 -0.79 -4.98 115.22 102.97 2ka6 n HIS 70 Ca 0.14 0.33 -0.39 0.00 0.46 0.00 0.00 57.72 58.26 2ka6 n HIS 70 Cb 0.16 -1.18 0.03 0.00 -0.12 0.00 0.00 29.99 28.88 2ka6 n HIS 70 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2ka6 n GLN 72 N -0.78 0.08 -3.27 0.00 6.02 -1.26 -4.92 117.38 113.25 2ka6 n GLN 72 Ca 0.09 -0.32 -0.33 0.00 -0.01 0.00 0.00 57.00 56.43 2ka6 n GLN 72 Cb 0.44 -0.61 -0.06 0.00 1.02 0.00 0.00 30.24 31.03 2ka6 n GLN 72 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2ka6 s GLU 73 N -0.08 3.93 0.00 -1.09 2.56 -1.26 -5.01 118.70 117.75 2ka6 s GLU 73 Ca 0.00 0.50 0.19 0.00 0.00 0.00 0.00 54.97 55.66 2ka6 s GLU 73 Cb 0.00 -2.57 0.08 0.00 2.00 0.00 0.00 34.13 33.65 2ka6 s GLU 73 CO 0.00 0.25 1.04 0.09 -0.56 0.00 0.00 175.26 176.08 2ka6 n ASN 74 N -0.16 2.26 -0.27 -1.70 3.02 -1.26 -4.34 115.26 112.80 2ka6 n ASN 74 Ca 0.02 -1.63 0.03 0.00 -0.03 0.00 0.00 54.58 52.96 2ka6 n ASN 74 Cb 0.53 0.21 0.06 0.00 -0.61 0.00 0.00 39.78 39.96 2ka6 n ASN 74 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ka6 n LYS 75 N 0.58 2.16 -1.64 3.52 5.02 -1.26 -5.07 118.16 121.47 2ka6 n LYS 75 Ca 0.10 -1.52 -0.47 0.00 -2.02 0.00 0.00 58.31 54.40 2ka6 n LYS 75 Cb 0.44 -1.12 -0.03 0.00 -0.02 0.00 0.00 35.03 34.30 2ka6 n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ka6 h PRO 77 N 4.15 0.00 -6.27 0.00 0.13 -1.95 -3.44 132.00 124.62 2ka6 h PRO 77 Ca -0.45 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.13 2ka6 h PRO 77 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 2ka6 h PRO 77 CO 0.75 0.29 0.91 0.08 -0.23 0.00 0.00 178.00 179.80 2ka6 s VAL 78 N -3.70 3.91 0.33 1.56 1.01 -1.26 -4.88 120.40 117.38 2ka6 s VAL 78 Ca -0.00 1.19 0.04 0.00 0.00 0.00 0.00 61.98 63.20 2ka6 s VAL 78 Cb 0.11 -3.77 0.17 0.00 0.00 0.00 0.00 36.38 32.89 2ka6 s VAL 78 CO 0.66 -0.06 1.88 1.55 0.00 0.00 0.00 175.10 179.13 2ka6 h PRO 79 N 8.34 0.57 0.00 2.72 0.13 -1.99 -3.05 132.00 138.73 2ka6 h PRO 79 Ca -0.34 -0.11 -0.15 0.00 -0.87 0.00 0.00 66.00 64.53 2ka6 h PRO 79 Cb 1.15 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 2ka6 h PRO 79 CO 0.94 0.57 -0.70 0.74 -0.23 0.00 0.00 178.00 179.31 2ka6 h PHE 80 N 0.56 0.00 -0.07 1.56 0.04 -1.97 -3.36 116.94 113.69 2ka6 h PHE 80 Ca 0.12 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.93 2ka6 h PHE 80 Cb 0.29 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 2ka6 h PHE 80 CO 0.01 0.70 -0.16 0.00 -0.60 0.00 0.00 178.31 178.26 2ka6 h LEU 82 N -0.23 -0.07 -0.22 0.00 3.38 -1.71 0.82 115.31 117.28 2ka6 h LEU 82 Ca 0.08 0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 2ka6 h LEU 82 Cb 0.34 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2ka6 h LEU 82 CO -0.21 -0.02 -0.19 0.78 0.09 0.00 0.00 178.44 178.89 2ka6 h ASN 83 N 0.21 0.54 0.18 -0.43 2.35 -1.62 -3.12 115.58 113.70 2ka6 h ASN 83 Ca 0.30 -0.46 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 2ka6 h ASN 83 Cb 0.45 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2ka6 h ASN 83 CO -0.41 0.89 -0.08 0.40 -1.65 0.00 0.00 177.43 176.58 2ka6 h ILE 84 N 0.20 0.93 -0.90 2.81 2.04 -0.64 -2.68 117.51 119.27 2ka6 h ILE 84 Ca 0.04 -0.60 0.13 0.00 1.00 0.00 0.00 64.86 65.42 2ka6 h ILE 84 Cb 0.73 1.29 -0.07 0.00 -0.74 0.00 0.00 36.82 38.03 2ka6 h ILE 84 CO 0.05 0.14 0.58 0.07 0.00 0.00 0.00 178.15 178.99 2ka6 h LYS 85 N -0.53 0.77 -0.23 2.37 2.10 -0.95 -0.32 116.57 119.77 2ka6 h LYS 85 Ca -0.02 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.55 2ka6 h LYS 85 Cb 0.41 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 31.55 2ka6 h LYS 85 CO 0.04 0.51 0.01 0.45 -2.00 0.00 0.00 179.45 178.46 2ka6 h HIS 86 N 0.79 0.44 -0.20 0.07 3.86 -1.55 -3.07 115.15 115.49 2ka6 h HIS 86 Ca 0.44 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.53 2ka6 h HIS 86 Cb 0.59 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 2ka6 h HIS 86 CO -0.00 0.56 -0.07 -0.22 0.86 0.00 0.00 177.93 179.06 2ka6 h LYS 87 N 0.19 0.40 -0.05 2.45 3.64 -0.94 -2.45 116.57 119.80 2ka6 h LYS 87 Ca 0.07 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2ka6 h LYS 87 Cb 0.38 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2ka6 h LYS 87 CO 0.01 0.67 0.05 -0.07 -2.27 0.00 0.00 179.45 177.84 2ka6 h LEU 88 N 0.11 0.00 0.00 5.20 4.07 -1.17 0.60 115.31 124.13 2ka6 h LEU 88 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2ka6 h LEU 88 Cb 0.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.28 2ka6 h LEU 88 CO 0.02 0.00 -1.27 0.54 -1.08 0.00 0.00 178.44 176.65 2ka6 n ARG 89 N -4.19 0.56 -0.00 1.13 5.12 -1.16 -4.50 116.66 113.61 2ka6 n ARG 89 Ca -0.02 0.01 0.06 0.00 -1.93 0.00 0.00 57.85 55.98 2ka6 n ARG 89 Cb 0.15 -1.70 -0.09 0.00 -1.16 0.00 0.00 32.46 29.65 2ka6 n ARG 89 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2ka6 n GLN 90 N -2.42 0.86 -0.35 5.56 6.02 -0.90 -4.68 117.38 121.47 2ka6 n GLN 90 Ca -0.01 -0.09 0.02 0.00 -0.01 0.00 0.00 57.00 56.91 2ka6 n GLN 90 Cb 0.53 -1.26 0.18 0.00 1.02 0.00 0.00 30.24 30.71 2ka6 n GLN 90 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 2ka6 h GLN 91 N 0.00 1.15 0.00 -1.09 3.07 -1.12 -3.50 115.11 113.61 2ka6 h GLN 91 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.67 2ka6 h GLN 91 Cb 0.52 -0.26 0.00 0.00 0.08 0.00 0.00 27.48 27.82 2ka6 h GLN 91 CO 0.00 0.76 0.00 1.04 0.09 0.00 0.00 178.83 180.72