#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 -0.41 0.00 4.33 0.13 -2.08 -3.30 132.00 130.68 2ka6 h PRO 2 Ca 0.00 0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.13 2ka6 h PRO 2 Cb 0.00 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.22 2ka6 h PRO 2 CO 0.00 -0.27 -1.09 1.04 -0.23 0.00 0.00 178.00 177.45 2ka6 n GLN 3 N -3.66 0.61 -0.22 0.86 1.13 -1.26 -4.18 117.38 110.66 2ka6 n GLN 3 Ca -0.05 0.14 0.16 0.00 -1.94 0.00 0.00 57.00 55.30 2ka6 n GLN 3 Cb 0.17 -1.82 0.47 0.00 0.11 0.00 0.00 30.24 29.16 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 0.48 -0.83 -1.09 3.07 -2.00 -1.33 114.58 112.88 2ka6 h GLU 4 Ca -0.03 -0.03 0.15 0.00 -0.50 0.00 0.00 59.36 58.95 2ka6 h GLU 4 Cb 1.11 -0.11 -0.10 0.00 -0.84 0.00 0.00 28.75 28.82 2ka6 h GLU 4 CO 0.01 0.32 0.40 1.03 -1.40 0.00 0.00 179.01 179.37 2ka6 h SER 5 N 0.49 0.46 -0.05 1.42 0.87 -1.72 0.31 113.55 115.33 2ka6 h SER 5 Ca 0.43 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 61.06 2ka6 h SER 5 Cb 0.91 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2ka6 h SER 5 CO -0.16 0.18 -0.07 0.03 -0.53 0.00 0.00 176.83 176.27 2ka6 h ARG 6 N 0.57 0.13 -0.28 2.24 2.47 -1.53 -2.37 114.38 115.61 2ka6 h ARG 6 Ca 0.46 -0.08 0.06 0.00 -1.26 0.00 0.00 59.98 59.16 2ka6 h ARG 6 Cb 0.67 0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.94 2ka6 h ARG 6 CO -0.38 0.64 -0.10 0.00 0.56 0.00 0.00 179.97 180.68 2ka6 h ARG 7 N -0.37 -0.05 -0.13 0.04 3.08 -1.16 -0.17 114.38 115.62 2ka6 h ARG 7 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 2ka6 h ARG 7 Cb 0.63 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 2ka6 h ARG 7 CO 0.02 -0.03 -0.33 -0.07 -1.07 0.00 0.00 179.97 178.48 2ka6 h LEU 8 N -0.05 0.27 -0.28 3.04 3.38 -1.05 -2.79 115.31 117.83 2ka6 h LEU 8 Ca 0.14 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2ka6 h LEU 8 Cb 0.26 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2ka6 h LEU 8 CO -0.31 0.59 -0.32 0.28 0.09 0.00 0.00 178.44 178.77 2ka6 h SER 9 N 0.23 0.76 -0.95 -0.43 0.02 -0.82 -3.18 113.55 109.17 2ka6 h SER 9 Ca 0.03 -0.49 0.06 0.00 -0.84 0.00 0.00 61.79 60.55 2ka6 h SER 9 Cb 0.70 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 2ka6 h SER 9 CO 0.05 1.10 0.62 0.40 -1.14 0.00 0.00 176.83 177.86 2ka6 h ILE 10 N 0.44 1.10 -0.59 3.27 2.04 -0.91 -1.58 117.51 121.28 2ka6 h ILE 10 Ca 0.04 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.56 2ka6 h ILE 10 Cb 0.90 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2ka6 h ILE 10 CO 0.08 0.21 0.39 1.56 0.00 0.00 0.00 178.15 180.38 2ka6 h GLN 11 N 1.12 0.60 -0.59 2.37 1.08 -1.48 -0.65 115.11 117.57 2ka6 h GLN 11 Ca 0.40 -0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 57.47 2ka6 h GLN 11 Cb 0.14 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 2ka6 h GLN 11 CO -0.15 0.40 -0.01 0.00 -0.95 0.00 0.00 178.83 178.12 2ka6 h ARG 12 N 0.62 1.05 -0.57 1.46 2.47 -1.33 -1.09 114.38 116.99 2ka6 h ARG 12 Ca 0.24 -0.34 -0.07 0.00 -1.26 0.00 0.00 59.98 58.56 2ka6 h ARG 12 Cb 0.19 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.40 2ka6 h ARG 12 CO -0.07 1.03 0.10 0.00 0.56 0.00 0.00 179.97 181.60 2ka6 h ILE 14 N 0.84 1.01 -0.97 0.00 2.04 -0.94 -0.68 117.51 118.81 2ka6 h ILE 14 Ca 0.17 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 66.03 2ka6 h ILE 14 Cb 0.40 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 2ka6 h ILE 14 CO 0.01 0.01 0.64 1.56 0.00 0.00 0.00 178.15 180.37 2ka6 h GLN 15 N 0.05 1.26 -0.50 2.37 1.08 -1.08 0.12 115.11 118.42 2ka6 h GLN 15 Ca 0.02 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 2ka6 h GLN 15 Cb -0.00 -0.29 -0.02 0.00 -0.05 0.00 0.00 27.48 27.12 2ka6 h GLN 15 CO -0.01 0.84 0.19 0.77 -0.95 0.00 0.00 178.83 179.67 2ka6 h SER 16 N 1.30 0.70 -0.34 1.46 0.02 -0.85 -0.27 113.55 115.57 2ka6 h SER 16 Ca 0.36 -0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 61.03 2ka6 h SER 16 Cb -0.14 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 2ka6 h SER 16 CO -0.08 0.68 -0.17 0.25 -1.14 0.00 0.00 176.83 176.37 2ka6 h LEU 17 N 0.67 0.73 -0.62 5.07 5.85 -0.79 -1.59 115.31 124.63 2ka6 h LEU 17 Ca 0.17 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.51 2ka6 h LEU 17 Cb 0.21 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2ka6 h LEU 17 CO -0.01 0.98 0.37 0.58 -0.34 0.00 0.00 178.44 180.02 2ka6 h VAL 18 N 0.49 1.04 0.37 1.05 2.07 -0.87 -0.26 116.25 120.13 2ka6 h VAL 18 Ca 0.07 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2ka6 h VAL 18 Cb 0.71 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2ka6 h VAL 18 CO 0.05 0.13 -0.19 -0.74 0.02 0.00 0.00 177.57 176.84 2ka6 h HIS 19 N 0.72 -0.49 -0.60 1.57 -0.00 -0.97 -2.97 115.15 112.41 2ka6 h HIS 19 Ca 0.26 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.71 2ka6 h HIS 19 Cb 0.07 0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.61 2ka6 h HIS 19 CO -0.06 -0.30 0.40 0.00 -0.00 0.00 0.00 177.93 177.97 2ka6 h ALA 20 N 0.11 1.99 0.00 5.26 0.00 -0.88 0.49 119.26 126.24 2ka6 h ALA 20 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ka6 h ALA 20 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2ka6 h ALA 20 CO 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.21 2ka6 n GLN 22 N -2.14 0.70 -1.23 0.00 6.02 -0.30 -4.88 117.38 115.56 2ka6 n GLN 22 Ca 0.02 -0.04 -0.29 0.00 -0.01 0.00 0.00 57.00 56.68 2ka6 n GLN 22 Cb 0.18 -1.13 0.16 0.00 1.02 0.00 0.00 30.24 30.48 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 -4.04 3.49 -1.76 0.00 3.00 -1.26 -4.99 116.66 111.10 2ka6 n ARG 24 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.48 2ka6 n ARG 24 Cb 0.57 -0.29 -0.03 0.00 0.00 0.00 0.00 32.46 32.71 2ka6 n ARG 24 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2ka6 s ASN 25 N 0.00 6.50 0.58 0.55 0.01 -1.26 -4.89 114.94 116.43 2ka6 s ASN 25 Ca 0.00 2.57 0.34 0.00 -0.71 0.00 0.00 52.86 55.06 2ka6 s ASN 25 Cb 0.00 -2.53 1.73 0.00 0.41 0.00 0.00 41.25 40.86 2ka6 s ASN 25 CO 0.00 -1.02 2.14 0.00 -1.51 0.00 0.00 177.10 176.71 2ka6 h ALA 26 N 10.28 1.12 -1.02 0.60 0.00 -2.01 -3.24 119.26 124.99 2ka6 h ALA 26 Ca -0.47 -0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.03 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 0.94 0.06 -1.16 0.09 0.00 0.00 0.00 179.25 179.18 2ka6 n ASN 27 N -3.33 1.25 -4.49 0.00 3.02 -1.26 -4.99 115.26 105.46 2ka6 n ASN 27 Ca -0.02 -2.72 -0.39 0.00 -0.03 0.00 0.00 54.58 51.42 2ka6 n ASN 27 Cb 0.20 -0.46 0.03 0.00 -0.61 0.00 0.00 39.78 38.94 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 0.50 0.00 -3.41 0.00 4.64 -2.01 -3.43 113.55 109.84 2ka6 h SER 29 Ca -0.45 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.33 2ka6 h SER 29 Cb 1.39 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.45 2ka6 h SER 29 CO 0.49 0.00 0.23 -0.76 -0.87 0.00 0.00 176.83 175.92 2ka6 s LEU 30 N -4.89 4.38 0.21 5.97 1.43 -1.26 -4.98 118.68 119.54 2ka6 s LEU 30 Ca 0.01 1.46 -0.06 0.00 -1.03 0.00 0.00 54.13 54.50 2ka6 s LEU 30 Cb 0.09 -3.33 0.18 0.00 0.03 0.00 0.00 46.19 43.15 2ka6 s LEU 30 CO 0.35 -0.14 1.71 1.55 0.23 0.00 0.00 176.35 180.05 2ka6 h PRO 31 N 6.46 1.02 -0.25 1.29 0.13 -2.01 -3.17 132.00 135.47 2ka6 h PRO 31 Ca -0.42 -0.27 -0.20 0.00 -0.87 0.00 0.00 66.00 64.24 2ka6 h PRO 31 Cb 1.21 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2ka6 h PRO 31 CO 0.74 0.95 -0.63 0.77 -0.23 0.00 0.00 178.00 179.60 2ka6 h SER 32 N 0.95 0.98 -0.67 1.44 0.02 -1.95 -3.27 113.55 111.05 2ka6 h SER 32 Ca 0.19 -0.56 0.13 0.00 -0.84 0.00 0.00 61.79 60.71 2ka6 h SER 32 Cb 0.44 -0.28 -0.10 0.00 0.14 0.00 0.00 62.40 62.60 2ka6 h SER 32 CO 0.01 1.37 0.15 0.00 -1.14 0.00 0.00 176.83 177.22 2ka6 h GLN 34 N 0.26 0.00 0.07 0.00 4.20 -1.60 -1.94 115.11 116.10 2ka6 h GLN 34 Ca 0.36 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.77 2ka6 h GLN 34 Cb 0.58 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2ka6 h GLN 34 CO -0.46 0.00 -1.66 1.17 -0.67 0.00 0.00 178.83 177.21 2ka6 n LYS 35 N -4.34 0.67 -0.31 1.46 4.81 -0.13 -4.03 118.16 116.30 2ka6 n LYS 35 Ca 0.03 0.41 0.06 0.00 -0.87 0.00 0.00 58.31 57.94 2ka6 n LYS 35 Cb 0.34 -1.73 0.26 0.00 0.02 0.00 0.00 35.03 33.92 2ka6 n LYS 35 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 2ka6 h MET 36 N -0.43 0.93 -0.39 1.64 2.86 -0.43 -0.32 114.93 118.79 2ka6 h MET 36 Ca -0.39 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.16 2ka6 h MET 36 Cb 1.70 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 33.13 2ka6 h MET 36 CO -0.05 0.62 0.11 0.87 1.06 0.00 0.00 176.91 179.51 2ka6 h LYS 37 N 0.96 0.61 -0.73 1.72 1.57 -1.55 -1.15 116.57 118.00 2ka6 h LYS 37 Ca 0.42 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 59.01 2ka6 h LYS 37 Cb 0.36 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2ka6 h LYS 37 CO -0.18 0.63 0.24 0.00 -0.57 0.00 0.00 179.45 179.57 2ka6 h ARG 38 N 0.48 1.11 0.55 3.15 3.08 -1.49 -1.96 114.38 119.31 2ka6 h ARG 38 Ca 0.12 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2ka6 h ARG 38 Cb 0.28 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.17 2ka6 h ARG 38 CO -0.00 0.94 -0.27 0.28 -1.07 0.00 0.00 179.97 179.85 2ka6 h VAL 39 N 1.07 0.45 -0.57 2.04 2.07 -0.93 -0.61 116.25 119.77 2ka6 h VAL 39 Ca 0.24 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 2ka6 h VAL 39 Cb 0.28 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2ka6 h VAL 39 CO -0.01 0.01 0.21 1.62 0.02 0.00 0.00 177.57 179.42 2ka6 h VAL 40 N -0.79 1.23 -0.72 2.57 3.04 -1.20 -2.55 116.25 117.83 2ka6 h VAL 40 Ca -0.08 -0.74 0.08 0.00 -1.01 0.00 0.00 66.70 64.95 2ka6 h VAL 40 Cb 0.59 0.64 -0.06 0.00 -2.01 0.00 0.00 31.29 30.44 2ka6 h VAL 40 CO 0.12 0.28 0.39 1.56 -1.01 0.00 0.00 177.57 178.92 2ka6 h GLN 41 N 0.80 0.66 0.64 4.17 1.08 -1.32 -0.21 115.11 120.93 2ka6 h GLN 41 Ca 0.19 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.32 2ka6 h GLN 41 Cb 0.23 -0.15 0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2ka6 h GLN 41 CO -0.01 0.44 -0.31 1.25 -0.95 0.00 0.00 178.83 179.25 2ka6 h HIS 42 N 0.68 -0.80 -0.68 2.96 2.76 -0.86 -3.17 115.15 116.04 2ka6 h HIS 42 Ca 0.34 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.52 2ka6 h HIS 42 Cb 0.29 0.26 -0.04 0.00 1.55 0.00 0.00 27.41 29.48 2ka6 h HIS 42 CO -0.09 -0.48 0.45 1.15 -1.30 0.00 0.00 177.93 177.66 2ka6 h THR 43 N -0.90 1.11 0.00 6.26 2.02 -1.19 -0.87 112.91 119.35 2ka6 h THR 43 Ca -0.09 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2ka6 h THR 43 Cb 0.67 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2ka6 h THR 43 CO 0.14 0.15 0.00 0.29 0.37 0.00 0.00 175.52 176.48 2ka6 n LYS 44 N -4.45 0.02 -0.26 6.66 5.02 -0.12 -3.02 118.16 122.01 2ka6 n LYS 44 Ca 0.08 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 2ka6 n LYS 44 Cb 0.11 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 2ka6 n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ka6 n GLY 45 N -1.47 -0.64 3.60 0.72 0.00 -0.57 -5.08 105.19 101.76 2ka6 n GLY 45 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.87 0.65 0.05 0.00 4.76 -1.26 -4.85 118.16 114.64 2ka6 n LYS 47 Ca 0.11 -1.00 0.00 0.00 -2.87 0.00 0.00 58.31 54.56 2ka6 n LYS 47 Cb 0.51 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 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 -0.02 0.00 0.00 1.97 1.85 -1.26 -5.00 116.66 114.20 2ka6 n ARG 48 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 2ka6 n ARG 48 Cb 0.14 -0.16 0.00 0.00 -1.05 0.00 0.00 32.46 31.39 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 -2.99 0.00 0.27 2.89 2.85 -1.26 -0.84 118.16 119.07 2ka6 n LYS 49 Ca 0.00 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.36 2ka6 n LYS 49 Cb 0.10 0.00 0.70 0.00 -0.65 0.00 0.00 35.03 35.18 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 0.88 -0.22 0.58 1.35 -1.93 0.17 112.91 113.74 2ka6 h THR 50 Ca 0.00 -0.09 -0.09 0.00 -0.55 0.00 0.00 66.41 65.68 2ka6 h THR 50 Cb 0.00 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 2ka6 h THR 50 CO 0.00 0.02 -0.26 -1.13 -0.25 0.00 0.00 175.52 173.90 2ka6 h ASN 51 N 0.00 0.43 0.00 5.36 -0.73 -1.97 -3.35 115.58 115.31 2ka6 h ASN 51 Ca -0.00 -0.14 -0.31 0.00 1.87 0.00 0.00 56.30 57.72 2ka6 h ASN 51 Cb 0.05 -0.12 -0.06 0.00 0.27 0.00 0.00 38.32 38.46 2ka6 h ASN 51 CO 0.00 0.69 -2.16 0.61 -0.37 0.00 0.00 177.43 176.20 2ka6 n GLY 52 N -0.39 -0.57 0.00 1.57 0.00 -0.02 -5.05 105.19 100.73 2ka6 n GLY 52 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 2.22 0.09 3.68 -0.02 0.00 -0.09 -5.00 105.19 106.08 2ka6 n GLY 53 Ca -0.32 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.25 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 7.42 0.00 0.23 0.00 0.13 -2.00 -3.24 132.00 134.54 2ka6 h PRO 55 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2ka6 h PRO 55 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2ka6 h PRO 55 CO 0.93 0.27 -0.11 0.28 -0.23 0.00 0.00 178.00 179.13 2ka6 h VAL 56 N 0.00 0.00 -0.42 1.56 2.07 -1.98 -3.13 116.25 114.35 2ka6 h VAL 56 Ca -0.00 -0.73 0.08 0.00 0.82 0.00 0.00 66.70 66.87 2ka6 h VAL 56 Cb 1.15 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.82 2ka6 h VAL 56 CO 0.03 0.00 -0.30 0.00 0.02 0.00 0.00 177.57 177.33 2ka6 h LYS 58 N -0.22 0.15 -0.39 0.00 3.64 -1.71 -1.36 116.57 116.68 2ka6 h LYS 58 Ca 0.19 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 2ka6 h LYS 58 Cb 0.52 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2ka6 h LYS 58 CO -0.54 0.10 -0.02 0.37 -2.27 0.00 0.00 179.45 177.09 2ka6 h GLN 59 N 0.15 0.71 -0.03 1.90 5.75 -1.07 -2.61 115.11 119.92 2ka6 h GLN 59 Ca 0.30 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2ka6 h GLN 59 Cb 0.99 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.48 2ka6 h GLN 59 CO -0.05 0.81 0.01 -0.07 -2.65 0.00 0.00 178.83 176.88 2ka6 h LEU 60 N 0.53 0.04 -0.68 -2.39 4.07 -1.11 -2.88 115.31 112.89 2ka6 h LEU 60 Ca 0.11 -0.24 0.10 0.00 0.08 0.00 0.00 57.88 57.93 2ka6 h LEU 60 Cb 0.51 -0.01 -0.08 0.00 1.08 0.00 0.00 40.66 42.16 2ka6 h LEU 60 CO 0.02 0.27 0.30 0.40 -1.08 0.00 0.00 178.44 178.36 2ka6 h ILE 61 N -0.19 0.79 0.20 1.22 1.08 -1.39 0.12 117.51 119.33 2ka6 h ILE 61 Ca 0.01 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 2ka6 h ILE 61 Cb 0.25 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 2ka6 h ILE 61 CO 0.00 0.09 -0.17 0.00 -0.69 0.00 0.00 178.15 177.39 2ka6 h ALA 62 N 1.45 -0.36 -0.56 1.87 0.00 -1.45 0.16 119.26 120.36 2ka6 h ALA 62 Ca 0.35 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.27 2ka6 h ALA 62 Cb 0.42 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 2ka6 h ALA 62 CO -0.31 -0.72 0.23 1.25 0.00 0.00 0.00 179.25 179.71 2ka6 h LEU 63 N -0.38 0.27 -0.54 0.00 6.46 -1.15 -1.21 115.31 118.76 2ka6 h LEU 63 Ca -0.01 0.06 -0.14 0.00 -0.12 0.00 0.00 57.88 57.67 2ka6 h LEU 63 Cb 0.35 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 2ka6 h LEU 63 CO -0.02 0.18 -0.33 0.00 -0.62 0.00 0.00 178.44 177.65 2ka6 h TYR 66 N 0.55 1.08 0.08 0.00 3.20 -1.20 -0.84 116.97 119.84 2ka6 h TYR 66 Ca 0.15 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 2ka6 h TYR 66 Cb -0.02 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.91 2ka6 h TYR 66 CO -0.04 0.35 -0.04 1.25 -1.64 0.00 0.00 178.16 178.05 2ka6 h HIS 67 N 0.88 -0.09 -0.47 -3.82 2.76 -1.39 -3.38 115.15 109.64 2ka6 h HIS 67 Ca 0.52 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.80 2ka6 h HIS 67 Cb 0.65 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.61 2ka6 h HIS 67 CO -0.01 0.29 0.33 0.00 -1.30 0.00 0.00 177.93 177.23 2ka6 h ALA 68 N -0.59 2.28 -0.51 5.26 0.00 -0.43 -1.22 119.26 124.04 2ka6 h ALA 68 Ca -0.01 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2ka6 h ALA 68 Cb 0.42 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2ka6 h ALA 68 CO 0.02 -0.40 0.23 0.87 0.00 0.00 0.00 179.25 179.97 2ka6 h LYS 69 N 0.12 0.44 0.00 0.00 1.57 -1.32 -3.18 116.57 114.19 2ka6 h LYS 69 Ca 0.22 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.76 2ka6 h LYS 69 Cb 0.71 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 2ka6 h LYS 69 CO -0.03 0.29 -1.53 0.72 -0.57 0.00 0.00 179.45 178.34 2ka6 n HIS 70 N -4.93 0.99 -1.79 -1.35 8.25 -0.88 -4.98 115.22 110.52 2ka6 n HIS 70 Ca 0.05 0.34 -0.39 0.00 -0.26 0.00 0.00 57.72 57.46 2ka6 n HIS 70 Cb 0.17 -1.13 0.03 0.00 1.12 0.00 0.00 29.99 30.18 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 -0.50 4.33 -2.13 0.00 1.13 -1.26 -4.96 117.38 113.99 2ka6 n GLN 72 Ca 0.07 -0.12 -0.32 0.00 -1.94 0.00 0.00 57.00 54.68 2ka6 n GLN 72 Cb 0.43 -0.59 -0.00 0.00 0.11 0.00 0.00 30.24 30.19 2ka6 n GLN 72 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2ka6 s GLU 73 N -0.65 3.50 0.00 -1.09 2.56 -1.26 -5.00 118.70 116.75 2ka6 s GLU 73 Ca 0.00 1.12 0.09 0.00 0.00 0.00 0.00 54.97 56.17 2ka6 s GLU 73 Cb 0.00 -2.06 -0.02 0.00 2.00 0.00 0.00 34.13 34.05 2ka6 s GLU 73 CO 0.00 -0.65 0.54 0.09 -0.56 0.00 0.00 175.26 174.67 2ka6 n ASN 74 N -1.94 0.97 -0.07 -1.70 3.02 -1.26 -4.55 115.26 109.74 2ka6 n ASN 74 Ca 0.08 -0.99 0.06 0.00 -0.03 0.00 0.00 54.58 53.71 2ka6 n ASN 74 Cb 0.53 0.57 0.09 0.00 -0.61 0.00 0.00 39.78 40.37 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 -0.46 1.95 -1.62 3.52 4.76 -1.26 -5.03 118.16 120.03 2ka6 n LYS 75 Ca 0.03 -2.19 -0.46 0.00 -2.87 0.00 0.00 58.31 52.82 2ka6 n LYS 75 Cb 0.17 -1.32 -0.03 0.00 -1.84 0.00 0.00 35.03 32.01 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 3.14 0.00 -6.40 0.00 0.13 -1.93 -3.44 132.00 123.50 2ka6 h PRO 77 Ca -0.43 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.16 2ka6 h PRO 77 Cb 1.32 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.46 2ka6 h PRO 77 CO 0.68 0.30 0.93 0.08 -0.23 0.00 0.00 178.00 179.77 2ka6 s VAL 78 N -4.01 3.36 0.40 1.56 1.01 -1.26 -4.85 120.40 116.61 2ka6 s VAL 78 Ca -0.02 0.76 0.11 0.00 0.00 0.00 0.00 61.98 62.83 2ka6 s VAL 78 Cb 0.13 -3.49 0.15 0.00 0.00 0.00 0.00 36.38 33.18 2ka6 s VAL 78 CO 0.67 -0.01 1.92 1.55 0.00 0.00 0.00 175.10 179.24 2ka6 h PRO 79 N 8.19 0.13 0.00 2.72 0.13 -1.96 -3.08 132.00 138.13 2ka6 h PRO 79 Ca -0.40 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.55 2ka6 h PRO 79 Cb 1.19 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2ka6 h PRO 79 CO 0.92 0.32 -0.77 0.74 -0.23 0.00 0.00 178.00 178.98 2ka6 h PHE 80 N 0.13 0.00 0.08 1.56 0.04 -1.96 -3.36 116.94 113.43 2ka6 h PHE 80 Ca 0.02 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.82 2ka6 h PHE 80 Cb 0.41 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.51 2ka6 h PHE 80 CO 0.00 0.65 -0.31 0.00 -0.60 0.00 0.00 178.31 178.06 2ka6 h LEU 82 N -0.50 0.41 -0.42 0.00 -0.00 -1.74 0.22 115.31 113.27 2ka6 h LEU 82 Ca 0.04 0.01 0.01 0.00 -0.00 0.00 0.00 57.88 57.93 2ka6 h LEU 82 Cb 0.55 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.11 2ka6 h LEU 82 CO -0.21 0.29 0.27 -1.13 -0.00 0.00 0.00 178.44 177.67 2ka6 h ASN 83 N 0.51 0.47 0.04 -0.43 -1.24 -1.63 -2.60 115.58 110.71 2ka6 h ASN 83 Ca 0.17 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.17 2ka6 h ASN 83 Cb 0.02 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 38.95 2ka6 h ASN 83 CO -0.08 0.34 -0.02 0.40 -1.29 0.00 0.00 177.43 176.77 2ka6 h ILE 84 N 0.56 1.35 -0.92 2.57 2.04 -0.67 -3.28 117.51 119.15 2ka6 h ILE 84 Ca 0.16 -1.59 0.13 0.00 1.00 0.00 0.00 64.86 64.56 2ka6 h ILE 84 Cb -0.05 2.35 -0.07 0.00 -0.74 0.00 0.00 36.82 38.30 2ka6 h ILE 84 CO -0.04 0.38 0.59 0.07 0.00 0.00 0.00 178.15 179.15 2ka6 h LYS 85 N -0.80 0.77 -0.34 2.37 2.10 -1.00 -0.60 116.57 119.07 2ka6 h LYS 85 Ca -0.01 -0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.62 2ka6 h LYS 85 Cb 0.67 -0.17 -0.03 0.00 -0.90 0.00 0.00 32.23 31.80 2ka6 h LYS 85 CO 0.01 0.51 0.18 0.45 -2.00 0.00 0.00 179.45 178.60 2ka6 h HIS 86 N 0.79 0.34 -0.37 0.07 3.86 -1.58 -0.63 115.15 117.64 2ka6 h HIS 86 Ca 0.46 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.62 2ka6 h HIS 86 Cb 0.63 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 2ka6 h HIS 86 CO -0.00 0.19 -0.01 0.87 0.86 0.00 0.00 177.93 179.84 2ka6 h LYS 87 N 0.38 0.66 -0.19 2.45 1.57 -1.24 -1.97 116.57 118.23 2ka6 h LYS 87 Ca 0.14 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2ka6 h LYS 87 Cb 0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2ka6 h LYS 87 CO -0.08 0.77 0.02 -0.07 -0.57 0.00 0.00 179.45 179.51 2ka6 h LEU 88 N 0.48 0.31 -0.23 2.94 3.38 -1.00 -2.83 115.31 118.36 2ka6 h LEU 88 Ca 0.10 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 2ka6 h LEU 88 Cb 0.47 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2ka6 h LEU 88 CO 0.02 0.51 -0.05 0.03 0.09 0.00 0.00 178.44 179.04 2ka6 h ARG 89 N 0.09 0.44 -0.04 1.13 2.47 -1.16 -2.90 114.38 114.42 2ka6 h ARG 89 Ca 0.06 -0.17 -0.05 0.00 -1.26 0.00 0.00 59.98 58.56 2ka6 h ARG 89 Cb 0.34 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 2ka6 h ARG 89 CO 0.01 0.67 -0.21 1.96 0.56 0.00 0.00 179.97 182.96 2ka6 h GLN 90 N 0.17 0.06 -0.00 0.04 4.20 -1.43 -2.11 115.11 116.04 2ka6 h GLN 90 Ca 0.06 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2ka6 h GLN 90 Cb 0.51 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2ka6 h GLN 90 CO 0.02 0.26 -0.07 1.04 -0.67 0.00 0.00 178.83 179.41 2ka6 n GLN 91 N -4.27 0.13 0.00 1.46 1.13 -1.07 -5.10 117.38 109.66 2ka6 n GLN 91 Ca -0.02 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 2ka6 n GLN 91 Cb 0.28 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.13 2ka6 n GLN 91 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66