#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka6 h PRO 2 N 0.00 -0.63 0.00 4.33 0.13 -2.07 -3.28 132.00 130.48 2ka6 h PRO 2 Ca 0.00 0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.10 2ka6 h PRO 2 Cb 0.00 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.26 2ka6 h PRO 2 CO 0.00 -0.42 -1.18 1.04 -0.23 0.00 0.00 178.00 177.21 2ka6 n GLN 3 N -4.91 0.61 -0.33 0.86 1.13 -1.26 -4.29 117.38 109.19 2ka6 n GLN 3 Ca -0.08 0.17 0.09 0.00 -1.94 0.00 0.00 57.00 55.24 2ka6 n GLN 3 Cb 0.26 -1.82 0.26 0.00 0.11 0.00 0.00 30.24 29.04 2ka6 n GLN 3 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2ka6 h GLU 4 N 0.00 0.77 -0.82 -1.09 3.07 -1.99 -0.51 114.58 114.00 2ka6 h GLU 4 Ca -0.07 -0.05 0.09 0.00 -0.50 0.00 0.00 59.36 58.84 2ka6 h GLU 4 Cb 1.26 -0.17 -0.07 0.00 -0.84 0.00 0.00 28.75 28.92 2ka6 h GLU 4 CO 0.02 0.51 0.47 0.66 -1.40 0.00 0.00 179.01 179.27 2ka6 h SER 5 N 0.79 0.67 0.05 1.42 4.64 -1.74 0.05 113.55 119.43 2ka6 h SER 5 Ca 0.51 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.87 2ka6 h SER 5 Cb 0.67 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2ka6 h SER 5 CO -0.33 0.39 -0.03 0.03 -0.87 0.00 0.00 176.83 176.02 2ka6 h ARG 6 N 0.79 -0.07 -0.39 4.77 3.08 -1.49 -2.33 114.38 118.74 2ka6 h ARG 6 Ca 0.40 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.52 2ka6 h ARG 6 Cb 0.36 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.36 2ka6 h ARG 6 CO -0.25 0.38 0.03 0.00 -1.07 0.00 0.00 179.97 179.06 2ka6 h ARG 7 N -0.54 0.14 -0.09 0.04 3.08 -0.75 -0.57 114.38 115.69 2ka6 h ARG 7 Ca -0.01 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 2ka6 h ARG 7 Cb 0.48 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2ka6 h ARG 7 CO 0.01 0.09 -0.49 -0.07 -1.07 0.00 0.00 179.97 178.44 2ka6 h LEU 8 N 0.14 0.25 -0.36 3.04 3.38 -1.09 -3.04 115.31 117.62 2ka6 h LEU 8 Ca 0.19 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 2ka6 h LEU 8 Cb 0.26 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2ka6 h LEU 8 CO -0.30 0.71 -0.43 0.28 0.09 0.00 0.00 178.44 178.79 2ka6 h SER 9 N 0.18 1.00 -0.95 -0.43 0.02 -0.80 -3.14 113.55 109.45 2ka6 h SER 9 Ca 0.01 -0.48 0.06 0.00 -0.84 0.00 0.00 61.79 60.54 2ka6 h SER 9 Cb 0.94 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 63.13 2ka6 h SER 9 CO 0.08 1.29 0.61 0.40 -1.14 0.00 0.00 176.83 178.07 2ka6 h ILE 10 N 0.75 1.08 -0.64 3.27 2.04 -1.06 -1.77 117.51 121.17 2ka6 h ILE 10 Ca 0.05 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.57 2ka6 h ILE 10 Cb 1.03 -0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 2ka6 h ILE 10 CO 0.10 0.20 0.43 1.56 0.00 0.00 0.00 178.15 180.44 2ka6 h GLN 11 N 1.09 0.74 -0.69 2.37 1.08 -1.48 -1.11 115.11 117.11 2ka6 h GLN 11 Ca 0.41 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.49 2ka6 h GLN 11 Cb 0.18 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 2ka6 h GLN 11 CO -0.15 0.49 0.17 0.00 -0.95 0.00 0.00 178.83 178.39 2ka6 h ARG 12 N 0.76 1.11 -0.56 1.46 3.08 -1.36 -1.34 114.38 117.54 2ka6 h ARG 12 Ca 0.26 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2ka6 h ARG 12 Cb 0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2ka6 h ARG 12 CO -0.07 0.98 0.13 0.00 -1.07 0.00 0.00 179.97 179.93 2ka6 h ILE 14 N 0.80 0.93 -0.98 0.00 2.04 -0.94 -0.37 117.51 118.99 2ka6 h ILE 14 Ca 0.17 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.05 2ka6 h ILE 14 Cb 0.36 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 2ka6 h ILE 14 CO 0.00 0.00 0.65 1.56 0.00 0.00 0.00 178.15 180.36 2ka6 h GLN 15 N -0.02 1.27 -0.50 2.37 4.20 -1.14 -0.85 115.11 120.44 2ka6 h GLN 15 Ca 0.02 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 2ka6 h GLN 15 Cb 0.05 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 2ka6 h GLN 15 CO -0.05 0.84 0.15 0.77 -0.67 0.00 0.00 178.83 179.87 2ka6 h SER 16 N 1.31 0.74 -0.46 1.46 0.02 -0.75 -0.26 113.55 115.61 2ka6 h SER 16 Ca 0.37 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.99 2ka6 h SER 16 Cb -0.12 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 2ka6 h SER 16 CO -0.09 0.76 -0.16 0.25 -1.14 0.00 0.00 176.83 176.45 2ka6 h LEU 17 N 0.69 0.95 -0.52 5.07 5.85 -0.80 -1.20 115.31 125.35 2ka6 h LEU 17 Ca 0.16 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.52 2ka6 h LEU 17 Cb 0.29 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2ka6 h LEU 17 CO -0.00 1.11 0.33 0.58 -0.34 0.00 0.00 178.44 180.11 2ka6 h VAL 18 N 0.77 1.09 0.36 1.05 2.07 -1.02 -0.32 116.25 120.24 2ka6 h VAL 18 Ca 0.11 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2ka6 h VAL 18 Cb 0.72 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2ka6 h VAL 18 CO 0.06 0.12 -0.21 -0.74 0.02 0.00 0.00 177.57 176.81 2ka6 h HIS 19 N 0.65 -0.55 -0.63 1.57 -0.00 -0.92 -2.97 115.15 112.31 2ka6 h HIS 19 Ca 0.20 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.66 2ka6 h HIS 19 Cb -0.02 0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.55 2ka6 h HIS 19 CO -0.05 -0.33 0.42 0.00 -0.00 0.00 0.00 177.93 177.97 2ka6 h ALA 20 N 0.08 1.95 0.00 5.26 0.00 -0.93 0.98 119.26 126.61 2ka6 h ALA 20 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ka6 h ALA 20 Cb 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2ka6 h ALA 20 CO 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.21 2ka6 n GLN 22 N -1.87 2.64 -1.13 0.00 6.02 -0.40 -4.89 117.38 117.75 2ka6 n GLN 22 Ca 0.02 -0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.70 2ka6 n GLN 22 Cb 0.17 -1.11 0.14 0.00 1.02 0.00 0.00 30.24 30.47 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 -3.95 3.40 -1.78 0.00 1.74 -1.26 -4.95 116.66 109.86 2ka6 n ARG 24 Ca 0.07 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.73 2ka6 n ARG 24 Cb 0.55 -0.46 -0.03 0.00 -1.02 0.00 0.00 32.46 31.50 2ka6 n ARG 24 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2ka6 s ASN 25 N -0.48 6.48 0.56 0.55 0.01 -1.26 -4.90 114.94 115.91 2ka6 s ASN 25 Ca 0.00 2.50 0.28 0.00 -0.71 0.00 0.00 52.86 54.93 2ka6 s ASN 25 Cb 0.00 -2.53 1.68 0.00 0.41 0.00 0.00 41.25 40.81 2ka6 s ASN 25 CO 0.00 -1.05 2.20 0.00 -1.51 0.00 0.00 177.10 176.74 2ka6 h ALA 26 N 10.42 1.48 -1.50 0.60 0.00 -2.00 -3.21 119.26 125.04 2ka6 h ALA 26 Ca -0.46 -0.04 -0.42 0.00 0.00 0.00 0.00 54.91 53.99 2ka6 h ALA 26 Cb 1.22 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 18.62 2ka6 h ALA 26 CO 0.95 0.05 -1.16 0.09 0.00 0.00 0.00 179.25 179.18 2ka6 n ASN 27 N -3.83 0.90 -4.44 0.00 3.02 -1.26 -4.91 115.26 104.74 2ka6 n ASN 27 Ca -0.03 -2.91 -0.37 0.00 -0.03 0.00 0.00 54.58 51.25 2ka6 n ASN 27 Cb 0.13 -0.46 0.06 0.00 -0.61 0.00 0.00 39.78 38.89 2ka6 n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ka6 h SER 29 N -0.21 0.00 -3.33 0.00 4.64 -2.01 -3.42 113.55 109.22 2ka6 h SER 29 Ca -0.45 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.31 2ka6 h SER 29 Cb 1.37 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.42 2ka6 h SER 29 CO 0.43 0.00 0.42 -0.76 -0.87 0.00 0.00 176.83 176.05 2ka6 s LEU 30 N -5.72 4.28 0.39 5.97 1.43 -1.26 -4.96 118.68 118.82 2ka6 s LEU 30 Ca -0.02 1.48 0.09 0.00 -1.03 0.00 0.00 54.13 54.65 2ka6 s LEU 30 Cb 0.10 -3.45 0.81 0.00 0.03 0.00 0.00 46.19 43.68 2ka6 s LEU 30 CO 0.42 -0.34 1.94 1.55 0.23 0.00 0.00 176.35 180.15 2ka6 h PRO 31 N 7.00 0.27 -0.04 1.29 0.13 -2.00 -3.03 132.00 135.60 2ka6 h PRO 31 Ca -0.35 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.69 2ka6 h PRO 31 Cb 1.17 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2ka6 h PRO 31 CO 0.81 0.36 -0.11 0.66 -0.23 0.00 0.00 178.00 179.48 2ka6 h SER 32 N 0.26 0.17 -0.66 1.44 4.64 -1.94 -3.30 113.55 114.16 2ka6 h SER 32 Ca 0.06 -0.60 0.14 0.00 -0.47 0.00 0.00 61.79 60.92 2ka6 h SER 32 Cb 0.31 -0.05 -0.11 0.00 -0.31 0.00 0.00 62.40 62.24 2ka6 h SER 32 CO 0.02 0.74 0.05 0.00 -0.87 0.00 0.00 176.83 176.77 2ka6 h GLN 34 N 0.16 0.68 0.11 0.00 4.20 -1.64 -1.67 115.11 116.95 2ka6 h GLN 34 Ca 0.35 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.86 2ka6 h GLN 34 Cb 0.59 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 28.23 2ka6 h GLN 34 CO -0.54 0.45 -0.77 -0.22 -0.67 0.00 0.00 178.83 177.09 2ka6 h LYS 35 N 0.70 0.23 -0.96 1.46 3.64 -1.18 -3.25 116.57 117.21 2ka6 h LYS 35 Ca 0.37 -0.39 0.07 0.00 -1.27 0.00 0.00 60.65 59.43 2ka6 h LYS 35 Cb 0.49 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.38 2ka6 h LYS 35 CO -0.14 1.19 0.61 0.52 -2.27 0.00 0.00 179.45 179.36 2ka6 h MET 36 N -0.50 1.05 -0.25 1.90 2.86 -0.50 0.76 114.93 120.26 2ka6 h MET 36 Ca -0.15 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 2ka6 h MET 36 Cb 1.53 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 2ka6 h MET 36 CO 0.10 0.70 0.11 0.87 1.06 0.00 0.00 176.91 179.75 2ka6 h LYS 37 N 1.09 0.36 -0.37 1.72 1.57 -1.45 -1.19 116.57 118.30 2ka6 h LYS 37 Ca 0.43 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 59.07 2ka6 h LYS 37 Cb 0.22 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2ka6 h LYS 37 CO -0.19 0.38 -0.09 0.00 -0.57 0.00 0.00 179.45 178.97 2ka6 h ARG 38 N 0.27 0.64 0.37 3.15 3.08 -1.39 -1.14 114.38 119.36 2ka6 h ARG 38 Ca 0.09 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2ka6 h ARG 38 Cb 0.14 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2ka6 h ARG 38 CO -0.01 0.73 -0.18 0.28 -1.07 0.00 0.00 179.97 179.72 2ka6 h VAL 39 N 0.59 0.65 -0.56 2.04 2.07 -0.74 -0.37 116.25 119.92 2ka6 h VAL 39 Ca 0.11 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 2ka6 h VAL 39 Cb 0.51 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2ka6 h VAL 39 CO 0.03 0.03 0.18 1.62 0.02 0.00 0.00 177.57 179.45 2ka6 h VAL 40 N -0.57 1.24 -0.94 2.57 3.04 -1.08 -2.29 116.25 118.22 2ka6 h VAL 40 Ca -0.05 -0.80 0.04 0.00 -1.01 0.00 0.00 66.70 64.88 2ka6 h VAL 40 Cb 0.43 0.69 -0.06 0.00 -2.01 0.00 0.00 31.29 30.34 2ka6 h VAL 40 CO 0.08 0.30 0.60 1.56 -1.01 0.00 0.00 177.57 179.11 2ka6 h GLN 41 N 0.79 1.12 0.66 4.17 1.08 -1.18 0.24 115.11 121.99 2ka6 h GLN 41 Ca 0.18 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.29 2ka6 h GLN 41 Cb 0.28 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2ka6 h GLN 41 CO -0.01 0.74 -0.36 1.25 -0.95 0.00 0.00 178.83 179.51 2ka6 h HIS 42 N 1.15 -0.94 -0.89 2.96 -0.00 -0.82 -3.17 115.15 113.45 2ka6 h HIS 42 Ca 0.38 -0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.78 2ka6 h HIS 42 Cb 0.05 0.32 -0.05 0.00 -0.00 0.00 0.00 27.41 27.73 2ka6 h HIS 42 CO -0.01 -0.56 0.58 1.15 -0.00 0.00 0.00 177.93 179.09 2ka6 h THR 43 N -0.94 1.12 0.00 6.26 2.02 -1.01 -0.21 112.91 120.15 2ka6 h THR 43 Ca -0.09 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2ka6 h THR 43 Cb 0.74 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 2ka6 h THR 43 CO 0.12 0.20 0.18 0.11 0.37 0.00 0.00 175.52 176.50 2ka6 h LYS 44 N 1.08 0.00 0.00 6.66 1.57 -0.93 -2.95 116.57 121.99 2ka6 h LYS 44 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2ka6 h LYS 44 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2ka6 h LYS 44 CO -0.12 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.17 2ka6 n GLY 45 N -1.18 0.35 3.74 3.86 0.00 -0.71 -5.09 105.19 106.17 2ka6 n GLY 45 Ca -0.02 0.00 -0.41 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 2.30 2.94 -0.01 0.00 4.76 -1.26 -4.64 118.16 122.25 2ka6 n LYS 47 Ca 0.06 -2.47 -0.04 0.00 -2.87 0.00 0.00 58.31 52.98 2ka6 n LYS 47 Cb 0.41 -1.51 -0.01 0.00 -1.84 0.00 0.00 35.03 32.07 2ka6 n LYS 47 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2ka6 n ARG 48 N 1.04 0.12 0.00 1.97 1.85 -1.26 -4.95 116.66 115.42 2ka6 n ARG 48 Ca 0.20 0.05 0.00 0.00 -1.00 0.00 0.00 57.85 57.10 2ka6 n ARG 48 Cb 0.60 -0.70 0.00 0.00 -1.05 0.00 0.00 32.46 31.31 2ka6 n ARG 48 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2ka6 n LYS 49 N -3.46 0.00 -0.02 2.89 2.85 -1.26 -0.89 118.16 118.27 2ka6 n LYS 49 Ca -0.08 0.00 0.18 0.00 -1.05 0.00 0.00 58.31 57.36 2ka6 n LYS 49 Cb 0.37 0.00 0.63 0.00 -0.65 0.00 0.00 35.03 35.38 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 0.78 0.02 0.58 1.35 -1.93 -0.30 112.91 113.41 2ka6 h THR 50 Ca 0.00 -0.04 -0.21 0.00 -0.55 0.00 0.00 66.41 65.61 2ka6 h THR 50 Cb 0.00 0.65 -0.01 0.00 -1.73 0.00 0.00 68.15 67.06 2ka6 h THR 50 CO 0.00 0.02 -0.94 -1.13 -0.25 0.00 0.00 175.52 173.22 2ka6 h ASN 51 N 0.12 0.26 0.17 5.36 -0.73 -1.96 -3.36 115.58 115.44 2ka6 h ASN 51 Ca 0.26 -0.23 -0.35 0.00 1.87 0.00 0.00 56.30 57.85 2ka6 h ASN 51 Cb 0.88 -0.08 -0.06 0.00 0.27 0.00 0.00 38.32 39.33 2ka6 h ASN 51 CO -0.03 1.07 -2.14 0.61 -0.37 0.00 0.00 177.43 176.57 2ka6 n GLY 52 N 1.02 -0.84 0.00 1.57 0.00 -0.06 -5.03 105.19 101.85 2ka6 n GLY 52 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 1.80 -0.11 3.68 -0.02 0.00 -0.28 -4.99 105.19 105.27 2ka6 n GLY 53 Ca -0.30 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.26 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 8.68 0.00 0.03 0.00 0.13 -2.00 -3.24 132.00 135.60 2ka6 h PRO 55 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2ka6 h PRO 55 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2ka6 h PRO 55 CO 0.94 0.00 -0.02 0.28 -0.23 0.00 0.00 178.00 178.97 2ka6 h VAL 56 N 0.00 0.00 -0.41 1.56 2.07 -1.98 -3.22 116.25 114.27 2ka6 h VAL 56 Ca 0.00 -0.95 0.09 0.00 0.82 0.00 0.00 66.70 66.66 2ka6 h VAL 56 Cb 0.91 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.59 2ka6 h VAL 56 CO 0.00 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.38 2ka6 h LYS 58 N -0.13 0.00 -0.35 0.00 3.64 -1.74 -1.75 116.57 116.24 2ka6 h LYS 58 Ca 0.20 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 2ka6 h LYS 58 Cb 0.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2ka6 h LYS 58 CO -0.49 0.00 -0.10 0.37 -2.27 0.00 0.00 179.45 176.96 2ka6 h GLN 59 N 0.00 0.69 -0.17 1.90 5.75 -1.12 -2.82 115.11 119.34 2ka6 h GLN 59 Ca 0.14 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.36 2ka6 h GLN 59 Cb 0.60 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 2ka6 h GLN 59 CO -0.00 0.86 0.08 -0.07 -2.65 0.00 0.00 178.83 177.05 2ka6 h LEU 60 N 0.48 0.22 -0.64 -2.39 4.07 -1.21 -2.74 115.31 113.10 2ka6 h LEU 60 Ca 0.09 -0.11 0.09 0.00 0.08 0.00 0.00 57.88 58.02 2ka6 h LEU 60 Cb 0.61 -0.06 -0.07 0.00 1.08 0.00 0.00 40.66 42.23 2ka6 h LEU 60 CO 0.04 0.27 0.29 0.40 -1.08 0.00 0.00 178.44 178.36 2ka6 h ILE 61 N 0.15 0.82 0.39 1.22 1.08 -1.44 0.17 117.51 119.90 2ka6 h ILE 61 Ca 0.06 -0.17 -0.02 0.00 -0.39 0.00 0.00 64.86 64.34 2ka6 h ILE 61 Cb 0.11 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 34.14 2ka6 h ILE 61 CO -0.01 0.09 -0.19 0.00 -0.69 0.00 0.00 178.15 177.36 2ka6 h ALA 62 N 1.41 -0.52 -0.84 1.87 0.00 -1.43 0.13 119.26 119.87 2ka6 h ALA 62 Ca 0.32 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.20 2ka6 h ALA 62 Cb 0.35 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 2ka6 h ALA 62 CO -0.27 -0.78 0.49 1.25 0.00 0.00 0.00 179.25 179.93 2ka6 h LEU 63 N -0.55 0.71 -0.27 0.00 6.46 -1.13 -1.52 115.31 119.02 2ka6 h LEU 63 Ca -0.05 0.04 -0.20 0.00 -0.12 0.00 0.00 57.88 57.55 2ka6 h LEU 63 Cb 0.42 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2ka6 h LEU 63 CO 0.09 0.41 -0.63 0.00 -0.62 0.00 0.00 178.44 177.70 2ka6 h TYR 66 N 0.89 0.82 0.08 0.00 3.20 -1.31 -1.09 116.97 119.55 2ka6 h TYR 66 Ca 0.27 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 2ka6 h TYR 66 Cb -0.03 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 37.99 2ka6 h TYR 66 CO -0.04 0.39 -0.04 1.25 -1.64 0.00 0.00 178.16 178.08 2ka6 h HIS 67 N 0.80 -0.09 -0.65 -3.82 2.76 -1.41 -3.36 115.15 109.38 2ka6 h HIS 67 Ca 0.35 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.64 2ka6 h HIS 67 Cb 0.22 0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.17 2ka6 h HIS 67 CO -0.06 0.44 0.44 0.00 -1.30 0.00 0.00 177.93 177.45 2ka6 h ALA 68 N -0.28 2.11 -0.87 5.26 0.00 -0.51 -0.63 119.26 124.35 2ka6 h ALA 68 Ca -0.01 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2ka6 h ALA 68 Cb 0.58 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2ka6 h ALA 68 CO 0.02 -0.28 0.57 0.87 0.00 0.00 0.00 179.25 180.43 2ka6 h LYS 69 N 0.36 0.97 0.00 0.00 1.57 -1.34 -2.99 116.57 115.13 2ka6 h LYS 69 Ca 0.31 -0.06 -0.23 0.00 -1.87 0.00 0.00 60.65 58.80 2ka6 h LYS 69 Cb 0.72 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 2ka6 h LYS 69 CO -0.08 0.64 -1.56 0.72 -0.57 0.00 0.00 179.45 178.59 2ka6 n HIS 70 N -4.48 1.01 -1.59 -1.35 8.25 -0.43 -4.98 115.22 111.65 2ka6 n HIS 70 Ca 0.13 0.35 -0.35 0.00 -0.26 0.00 0.00 57.72 57.59 2ka6 n HIS 70 Cb 0.18 -1.15 0.08 0.00 1.12 0.00 0.00 29.99 30.22 2ka6 n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ka6 n GLN 72 N -2.44 0.00 -4.29 0.00 6.02 -1.26 -4.96 117.38 110.44 2ka6 n GLN 72 Ca 0.13 -0.87 -0.24 0.00 -0.01 0.00 0.00 57.00 56.01 2ka6 n GLN 72 Cb 0.50 -0.48 -0.12 0.00 1.02 0.00 0.00 30.24 31.16 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 0.00 1.14 0.00 -1.09 2.12 -1.26 -5.05 118.70 114.56 2ka6 s GLU 73 Ca 0.00 -1.19 0.20 0.00 0.36 0.00 0.00 54.97 54.34 2ka6 s GLU 73 Cb 0.00 -1.37 0.49 0.00 0.26 0.00 0.00 34.13 33.51 2ka6 s GLU 73 CO 0.00 0.31 1.41 0.09 -0.54 0.00 0.00 175.26 176.54 2ka6 n ASN 74 N 0.98 3.53 -0.11 -1.70 4.13 -1.26 -4.27 115.26 116.56 2ka6 n ASN 74 Ca -0.19 -1.97 0.01 0.00 1.68 0.00 0.00 54.58 54.11 2ka6 n ASN 74 Cb 0.54 -0.35 0.02 0.00 -1.54 0.00 0.00 39.78 38.44 2ka6 n ASN 74 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2ka6 n LYS 75 N 1.33 0.56 -1.67 3.52 4.76 -1.26 -5.04 118.16 120.37 2ka6 n LYS 75 Ca 0.20 -0.97 -0.44 0.00 -2.87 0.00 0.00 58.31 54.22 2ka6 n LYS 75 Cb 0.56 -1.05 -0.02 0.00 -1.84 0.00 0.00 35.03 32.68 2ka6 n LYS 75 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ka6 h PRO 77 N 3.62 0.00 -6.46 0.00 0.13 -1.93 -3.44 132.00 123.92 2ka6 h PRO 77 Ca -0.45 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.15 2ka6 h PRO 77 Cb 1.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 2ka6 h PRO 77 CO 0.71 0.23 0.81 0.08 -0.23 0.00 0.00 178.00 179.61 2ka6 s VAL 78 N -3.78 3.45 0.24 1.56 1.01 -1.26 -4.89 120.40 116.72 2ka6 s VAL 78 Ca -0.00 0.94 -0.04 0.00 0.00 0.00 0.00 61.98 62.88 2ka6 s VAL 78 Cb 0.11 -3.60 0.09 0.00 0.00 0.00 0.00 36.38 32.98 2ka6 s VAL 78 CO 0.64 0.03 1.71 1.55 0.00 0.00 0.00 175.10 179.03 2ka6 h PRO 79 N 7.48 0.85 0.00 2.72 0.13 -1.98 -3.13 132.00 138.07 2ka6 h PRO 79 Ca -0.40 -0.26 -0.13 0.00 -0.87 0.00 0.00 66.00 64.34 2ka6 h PRO 79 Cb 1.19 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 2ka6 h PRO 79 CO 0.89 0.88 -0.63 0.74 -0.23 0.00 0.00 178.00 179.65 2ka6 h PHE 80 N 0.79 0.00 -0.41 1.56 0.04 -1.97 -3.30 116.94 113.65 2ka6 h PHE 80 Ca 0.14 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.99 2ka6 h PHE 80 Cb 0.52 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.60 2ka6 h PHE 80 CO 0.03 0.63 -0.03 0.00 -0.60 0.00 0.00 178.31 178.34 2ka6 h LEU 82 N 0.08 -0.74 -0.82 0.00 4.07 -1.70 -0.11 115.31 116.09 2ka6 h LEU 82 Ca 0.20 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.31 2ka6 h LEU 82 Cb 0.30 0.19 -0.09 0.00 1.08 0.00 0.00 40.66 42.14 2ka6 h LEU 82 CO -0.36 -0.49 0.40 0.78 -1.08 0.00 0.00 178.44 177.69 2ka6 h ASN 83 N -0.95 0.46 0.19 -0.43 2.35 -1.55 -0.89 115.58 114.75 2ka6 h ASN 83 Ca -0.09 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2ka6 h ASN 83 Cb 0.69 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.10 2ka6 h ASN 83 CO 0.15 0.19 -0.09 0.40 -1.65 0.00 0.00 177.43 176.43 2ka6 h ILE 84 N 0.57 0.56 -0.82 2.81 2.04 -0.83 -3.28 117.51 118.56 2ka6 h ILE 84 Ca 0.44 -1.05 0.06 0.00 1.00 0.00 0.00 64.86 65.32 2ka6 h ILE 84 Cb 0.63 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 2ka6 h ILE 84 CO -0.37 0.15 0.53 0.07 0.00 0.00 0.00 178.15 178.54 2ka6 h LYS 85 N -0.97 0.87 0.00 2.37 2.10 -0.86 0.09 116.57 120.17 2ka6 h LYS 85 Ca -0.03 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.56 2ka6 h LYS 85 Cb 0.45 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2ka6 h LYS 85 CO 0.04 0.57 -0.06 0.45 -2.00 0.00 0.00 179.45 178.45 2ka6 h HIS 86 N 0.89 0.00 0.08 0.07 3.86 -1.29 0.87 115.15 119.63 2ka6 h HIS 86 Ca 0.35 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.24 2ka6 h HIS 86 Cb 0.23 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 2ka6 h HIS 86 CO -0.00 0.06 -1.73 1.63 0.86 0.00 0.00 177.93 178.75 2ka6 n LYS 87 N -3.59 0.69 0.21 2.45 5.02 -0.50 -4.39 118.16 118.06 2ka6 n LYS 87 Ca -0.02 0.38 0.06 0.00 -2.02 0.00 0.00 58.31 56.71 2ka6 n LYS 87 Cb 0.18 -1.72 0.45 0.00 -0.02 0.00 0.00 35.03 33.91 2ka6 n LYS 87 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2ka6 h LEU 88 N -0.32 0.00 -2.23 -0.35 4.07 -0.73 -3.23 115.31 112.51 2ka6 h LEU 88 Ca -0.40 0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.60 2ka6 h LEU 88 Cb 1.77 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.50 2ka6 h LEU 88 CO -0.02 0.30 0.25 0.08 -1.08 0.00 0.00 178.44 177.97 2ka6 h ARG 89 N 0.00 0.00 -0.03 1.13 -0.00 -1.03 0.11 114.38 114.56 2ka6 h ARG 89 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2ka6 h ARG 89 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.61 2ka6 h ARG 89 CO 0.04 0.00 -0.09 1.04 -0.00 0.00 0.00 179.97 180.96 2ka6 n GLN 90 N -3.34 2.05 0.00 0.08 6.02 -1.22 -4.64 117.38 116.33 2ka6 n GLN 90 Ca 0.00 -1.66 0.00 0.00 -0.01 0.00 0.00 57.00 55.33 2ka6 n GLN 90 Cb 0.35 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.14 2ka6 n GLN 90 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2ka6 n GLN 91 N 0.97 3.14 0.00 -1.09 6.02 0.09 -5.18 117.38 121.33 2ka6 n GLN 91 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 2ka6 n GLN 91 Cb 0.55 -0.38 0.00 0.00 1.02 0.00 0.00 30.24 31.43 2ka6 n GLN 91 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09