#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 0.24 1.43 -0.04 -1.26 -3.29 135.00 132.09 2ka6 n PRO 2 Ca 0.00 0.11 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 2ka6 n PRO 2 Cb 0.00 -0.84 0.59 0.00 -0.04 0.00 0.00 33.50 33.21 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 -0.06 0.54 4.20 -2.07 -2.89 115.11 114.82 2ka6 h GLN 3 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 2ka6 h GLN 3 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2ka6 h GLN 3 CO 0.00 0.16 0.05 0.93 -0.67 0.00 0.00 178.83 179.30 2ka6 h GLU 4 N 0.00 0.00 -0.73 1.46 5.08 -2.01 -3.02 114.58 115.36 2ka6 h GLU 4 Ca -0.00 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 2ka6 h GLU 4 Cb 0.57 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.72 2ka6 h GLU 4 CO 0.02 0.00 0.23 0.66 -1.00 0.00 0.00 179.01 178.92 2ka6 h SER 5 N 0.00 0.13 0.19 1.42 4.64 -1.49 0.36 113.55 118.79 2ka6 h SER 5 Ca 0.03 0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 2ka6 h SER 5 Cb 0.13 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2ka6 h SER 5 CO -0.00 0.03 -0.09 0.03 -0.87 0.00 0.00 176.83 175.93 2ka6 h ARG 6 N 0.34 -0.24 -0.22 4.77 3.08 -1.76 -2.31 114.38 118.04 2ka6 h ARG 6 Ca 0.41 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.52 2ka6 h ARG 6 Cb 0.66 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.72 2ka6 h ARG 6 CO -0.46 0.04 -0.08 0.00 -1.07 0.00 0.00 179.97 178.40 2ka6 h ARG 7 N -0.52 -0.04 -0.44 0.04 3.08 -1.47 -0.47 114.38 114.56 2ka6 h ARG 7 Ca -0.03 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 2ka6 h ARG 7 Cb 0.39 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2ka6 h ARG 7 CO 0.04 -0.03 -0.02 -0.07 -1.07 0.00 0.00 179.97 178.82 2ka6 h LEU 8 N -0.04 0.69 -0.48 3.04 3.38 -1.03 -2.33 115.31 118.54 2ka6 h LEU 8 Ca 0.11 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2ka6 h LEU 8 Cb 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2ka6 h LEU 8 CO -0.26 0.78 -0.13 0.28 0.09 0.00 0.00 178.44 179.20 2ka6 h SER 9 N 0.68 0.95 -0.83 -0.43 0.02 -0.90 -2.92 113.55 110.11 2ka6 h SER 9 Ca 0.13 -0.37 0.04 0.00 -0.84 0.00 0.00 61.79 60.76 2ka6 h SER 9 Cb 0.45 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 2ka6 h SER 9 CO 0.02 1.10 0.53 0.40 -1.14 0.00 0.00 176.83 177.74 2ka6 h ILE 10 N 0.79 1.10 -0.81 3.27 2.04 -0.83 -1.83 117.51 121.24 2ka6 h ILE 10 Ca 0.12 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.65 2ka6 h ILE 10 Cb 0.69 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 2ka6 h ILE 10 CO 0.05 0.18 0.53 1.56 0.00 0.00 0.00 178.15 180.48 2ka6 h GLN 11 N 1.01 1.03 -0.71 2.37 1.08 -1.28 0.03 115.11 118.64 2ka6 h GLN 11 Ca 0.34 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.42 2ka6 h GLN 11 Cb 0.06 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.23 2ka6 h GLN 11 CO -0.13 0.68 0.18 0.00 -0.95 0.00 0.00 178.83 178.61 2ka6 h ARG 12 N 1.06 1.12 -0.62 1.46 2.47 -1.16 -1.31 114.38 117.40 2ka6 h ARG 12 Ca 0.30 -0.26 -0.10 0.00 -1.26 0.00 0.00 59.98 58.67 2ka6 h ARG 12 Cb -0.07 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.07 2ka6 h ARG 12 CO -0.07 0.98 0.01 0.00 0.56 0.00 0.00 179.97 181.45 2ka6 h ILE 14 N 0.99 1.02 -0.98 0.00 2.04 -0.74 -0.38 117.51 119.45 2ka6 h ILE 14 Ca 0.18 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 66.02 2ka6 h ILE 14 Cb 0.55 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 2ka6 h ILE 14 CO 0.03 0.02 0.65 1.56 0.00 0.00 0.00 178.15 180.41 2ka6 h GLN 15 N 0.11 1.25 -0.48 2.37 1.08 -1.12 -0.25 115.11 118.07 2ka6 h GLN 15 Ca 0.03 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 2ka6 h GLN 15 Cb -0.01 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 27.12 2ka6 h GLN 15 CO -0.01 0.82 0.16 0.77 -0.95 0.00 0.00 178.83 179.63 2ka6 h SER 16 N 1.28 0.69 -0.38 1.46 0.02 -0.73 -0.22 113.55 115.68 2ka6 h SER 16 Ca 0.38 -0.20 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 2ka6 h SER 16 Cb -0.07 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 2ka6 h SER 16 CO -0.10 0.70 -0.19 0.25 -1.14 0.00 0.00 176.83 176.35 2ka6 h LEU 17 N 0.65 0.83 -0.53 5.07 5.85 -0.74 -1.20 115.31 125.24 2ka6 h LEU 17 Ca 0.16 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.49 2ka6 h LEU 17 Cb 0.25 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2ka6 h LEU 17 CO -0.01 1.05 0.33 0.58 -0.34 0.00 0.00 178.44 180.05 2ka6 h VAL 18 N 0.60 1.08 0.44 1.05 2.07 -0.96 -0.32 116.25 120.22 2ka6 h VAL 18 Ca 0.08 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2ka6 h VAL 18 Cb 0.74 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2ka6 h VAL 18 CO 0.06 0.12 -0.28 -0.74 0.02 0.00 0.00 177.57 176.75 2ka6 h HIS 19 N 0.66 -0.73 -0.71 1.57 -0.00 -0.95 -3.02 115.15 111.96 2ka6 h HIS 19 Ca 0.21 -0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.68 2ka6 h HIS 19 Cb -0.02 0.26 -0.05 0.00 -0.00 0.00 0.00 27.41 27.61 2ka6 h HIS 19 CO -0.05 -0.43 0.47 0.00 -0.00 0.00 0.00 177.93 177.92 2ka6 h ALA 20 N -0.18 1.94 0.00 5.26 0.00 -0.91 0.13 119.26 125.52 2ka6 h ALA 20 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2ka6 h ALA 20 Cb 0.57 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2ka6 h ALA 20 CO 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 179.25 179.16 2ka6 n GLN 22 N -3.21 2.03 -2.27 0.00 6.02 -0.43 -4.95 117.38 114.56 2ka6 n GLN 22 Ca -0.01 -0.01 -0.39 0.00 -0.01 0.00 0.00 57.00 56.57 2ka6 n GLN 22 Cb 0.19 -1.29 -0.02 0.00 1.02 0.00 0.00 30.24 30.14 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 0.25 4.81 -1.68 0.00 5.12 -1.26 -4.89 116.66 119.01 2ka6 n ARG 24 Ca 0.03 -0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.53 2ka6 n ARG 24 Cb 0.46 -0.79 -0.03 0.00 -1.16 0.00 0.00 32.46 30.93 2ka6 n ARG 24 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2ka6 n ASN 25 N -1.17 4.14 -0.23 0.55 3.02 -1.26 -4.90 115.26 115.40 2ka6 n ASN 25 Ca 0.01 0.95 0.08 0.00 -0.03 0.00 0.00 54.58 55.59 2ka6 n ASN 25 Cb 0.09 -1.55 0.35 0.00 -0.61 0.00 0.00 39.78 38.07 2ka6 n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ka6 h ALA 26 N 9.40 1.73 -1.57 5.41 0.00 -2.01 -3.29 119.26 128.94 2ka6 h ALA 26 Ca -0.48 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 53.95 2ka6 h ALA 26 Cb 1.23 -0.18 -0.34 0.00 0.00 0.00 0.00 17.79 18.50 2ka6 h ALA 26 CO 0.95 0.10 -0.99 0.09 0.00 0.00 0.00 179.25 179.40 2ka6 n ASN 27 N -4.51 -0.38 -4.26 0.00 3.02 -1.26 -4.90 115.26 102.97 2ka6 n ASN 27 Ca 0.14 -2.89 -0.34 0.00 -0.03 0.00 0.00 54.58 51.46 2ka6 n ASN 27 Cb 0.32 -0.10 0.10 0.00 -0.61 0.00 0.00 39.78 39.49 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 -1.41 0.00 -3.49 0.00 4.64 -2.01 -3.43 113.55 107.84 2ka6 h SER 29 Ca -0.44 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.35 2ka6 h SER 29 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 2ka6 h SER 29 CO 0.31 0.05 0.34 -0.76 -0.87 0.00 0.00 176.83 175.90 2ka6 s LEU 30 N -6.62 4.44 0.42 5.97 1.43 -1.26 -4.97 118.68 118.10 2ka6 s LEU 30 Ca -0.02 1.70 0.14 0.00 -1.03 0.00 0.00 54.13 54.93 2ka6 s LEU 30 Cb 0.12 -3.54 0.93 0.00 0.03 0.00 0.00 46.19 43.72 2ka6 s LEU 30 CO 0.52 -0.13 1.94 1.55 0.23 0.00 0.00 176.35 180.46 2ka6 h PRO 31 N 6.06 0.00 0.15 1.29 0.13 -2.01 -3.14 132.00 134.48 2ka6 h PRO 31 Ca -0.42 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.50 2ka6 h PRO 31 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.36 2ka6 h PRO 31 CO 0.73 0.24 -0.95 0.66 -0.23 0.00 0.00 178.00 178.45 2ka6 h SER 32 N 0.00 0.48 -0.70 1.44 4.64 -1.95 -3.34 113.55 114.12 2ka6 h SER 32 Ca -0.00 -0.94 0.15 0.00 -0.47 0.00 0.00 61.79 60.53 2ka6 h SER 32 Cb 0.44 -0.16 -0.11 0.00 -0.31 0.00 0.00 62.40 62.27 2ka6 h SER 32 CO 0.03 1.45 0.14 0.00 -0.87 0.00 0.00 176.83 177.58 2ka6 h GLN 34 N 0.24 0.69 0.10 0.00 4.20 -1.70 -1.90 115.11 116.74 2ka6 h GLN 34 Ca 0.39 -0.04 -0.22 0.00 0.06 0.00 0.00 58.65 58.83 2ka6 h GLN 34 Cb 0.64 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 2ka6 h GLN 34 CO -0.50 0.46 -1.11 -0.22 -0.67 0.00 0.00 178.83 176.79 2ka6 h LYS 35 N 0.71 0.21 -0.99 1.46 3.64 -1.12 -3.30 116.57 117.18 2ka6 h LYS 35 Ca 0.50 -0.35 0.10 0.00 -1.27 0.00 0.00 60.65 59.63 2ka6 h LYS 35 Cb 0.83 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.70 2ka6 h LYS 35 CO -0.26 1.17 0.63 0.52 -2.27 0.00 0.00 179.45 179.23 2ka6 h MET 36 N -0.46 1.00 -0.38 1.90 2.86 -0.45 0.58 114.93 119.99 2ka6 h MET 36 Ca -0.24 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.31 2ka6 h MET 36 Cb 1.61 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 33.02 2ka6 h MET 36 CO 0.05 0.66 0.11 0.87 1.06 0.00 0.00 176.91 179.66 2ka6 h LYS 37 N 1.03 0.59 -0.74 1.72 1.57 -1.51 -0.88 116.57 118.35 2ka6 h LYS 37 Ca 0.47 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 59.09 2ka6 h LYS 37 Cb 0.39 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 2ka6 h LYS 37 CO -0.24 0.61 0.36 0.00 -0.57 0.00 0.00 179.45 179.61 2ka6 h ARG 38 N 0.46 1.07 0.37 3.15 3.08 -1.40 -1.70 114.38 119.42 2ka6 h ARG 38 Ca 0.12 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2ka6 h ARG 38 Cb 0.27 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2ka6 h ARG 38 CO -0.00 0.84 -0.18 0.28 -1.07 0.00 0.00 179.97 179.84 2ka6 h VAL 39 N 1.05 0.64 -0.53 2.04 2.07 -0.76 -0.34 116.25 120.41 2ka6 h VAL 39 Ca 0.26 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 2ka6 h VAL 39 Cb 0.12 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2ka6 h VAL 39 CO -0.03 0.03 0.19 1.62 0.02 0.00 0.00 177.57 179.40 2ka6 h VAL 40 N -0.59 1.23 -0.79 2.57 3.04 -1.13 -2.36 116.25 118.22 2ka6 h VAL 40 Ca -0.05 -0.74 0.06 0.00 -1.01 0.00 0.00 66.70 64.96 2ka6 h VAL 40 Cb 0.44 0.71 -0.06 0.00 -2.01 0.00 0.00 31.29 30.37 2ka6 h VAL 40 CO 0.08 0.28 0.47 1.56 -1.01 0.00 0.00 177.57 178.95 2ka6 h GLN 41 N 0.73 0.83 0.53 4.17 1.08 -1.28 -0.17 115.11 120.99 2ka6 h GLN 41 Ca 0.17 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 2ka6 h GLN 41 Cb 0.24 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2ka6 h GLN 41 CO -0.01 0.55 -0.36 1.25 -0.95 0.00 0.00 178.83 179.31 2ka6 h HIS 42 N 0.86 -0.96 -0.98 2.96 -0.00 -0.78 -3.07 115.15 113.18 2ka6 h HIS 42 Ca 0.35 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.75 2ka6 h HIS 42 Cb 0.19 0.35 -0.06 0.00 -0.00 0.00 0.00 27.41 27.89 2ka6 h HIS 42 CO -0.05 -0.54 0.64 1.15 -0.00 0.00 0.00 177.93 179.14 2ka6 h THR 43 N -0.85 1.18 0.00 6.26 2.02 -1.07 -0.19 112.91 120.25 2ka6 h THR 43 Ca -0.06 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2ka6 h THR 43 Cb 0.71 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2ka6 h THR 43 CO 0.04 0.23 0.01 0.29 0.37 0.00 0.00 175.52 176.45 2ka6 n LYS 44 N -4.43 0.13 0.00 6.66 5.02 -0.11 -2.78 118.16 122.65 2ka6 n LYS 44 Ca 0.13 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 2ka6 n LYS 44 Cb 0.09 -1.95 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 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 -1.31 -0.02 3.80 0.72 0.00 -0.66 -5.07 105.19 102.65 2ka6 n GLY 45 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.79 -0.13 -0.05 0.00 4.01 -1.26 -4.80 118.16 114.13 2ka6 n LYS 47 Ca 0.09 -0.86 -0.04 0.00 -0.51 0.00 0.00 58.31 56.99 2ka6 n LYS 47 Cb 0.53 -1.11 -0.01 0.00 -0.51 0.00 0.00 35.03 33.93 2ka6 n LYS 47 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2ka6 n ARG 48 N 0.30 0.32 -0.23 1.97 1.74 -1.26 -4.95 116.66 114.55 2ka6 n ARG 48 Ca 0.03 0.30 0.03 0.00 -0.77 0.00 0.00 57.85 57.44 2ka6 n ARG 48 Cb 0.14 -1.26 -0.01 0.00 -1.02 0.00 0.00 32.46 30.32 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 -3.82 -0.46 -0.33 5.56 0.00 -1.26 -2.02 118.16 115.83 2ka6 n LYS 49 Ca -0.07 0.31 0.06 0.00 -0.00 0.00 0.00 58.31 58.60 2ka6 n LYS 49 Cb 0.25 -0.57 0.21 0.00 -0.00 0.00 0.00 35.03 34.93 2ka6 n LYS 49 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2ka6 h THR 50 N -0.21 0.88 0.00 0.58 1.35 -1.91 -0.28 112.91 113.31 2ka6 h THR 50 Ca 0.00 -0.29 -0.03 0.00 -0.55 0.00 0.00 66.41 65.54 2ka6 h THR 50 Cb 0.21 -0.05 -0.00 0.00 -1.73 0.00 0.00 68.15 66.57 2ka6 h THR 50 CO 0.00 0.16 -0.14 -1.13 -0.25 0.00 0.00 175.52 174.16 2ka6 h ASN 51 N 0.86 0.00 0.00 5.36 -1.24 -1.97 -3.30 115.58 115.29 2ka6 h ASN 51 Ca 0.46 0.00 -0.37 0.00 0.71 0.00 0.00 56.30 57.10 2ka6 h ASN 51 Cb 0.48 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.46 2ka6 h ASN 51 CO -0.28 0.14 -2.39 0.61 -1.29 0.00 0.00 177.43 174.23 2ka6 n GLY 52 N -0.01 -0.60 0.00 1.57 0.00 -0.86 -5.04 105.19 100.25 2ka6 n GLY 52 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 2.10 -0.54 3.68 -0.02 0.00 -0.23 -4.99 105.19 105.19 2ka6 n GLY 53 Ca -0.39 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.16 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 7.80 0.00 0.22 0.00 0.13 -2.00 -3.20 132.00 134.95 2ka6 h PRO 55 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2ka6 h PRO 55 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2ka6 h PRO 55 CO 0.92 0.43 -0.11 0.28 -0.23 0.00 0.00 178.00 179.30 2ka6 h VAL 56 N 0.00 0.00 -0.43 1.56 2.07 -1.98 -3.14 116.25 114.32 2ka6 h VAL 56 Ca -0.00 -0.78 0.09 0.00 0.82 0.00 0.00 66.70 66.82 2ka6 h VAL 56 Cb 1.26 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.93 2ka6 h VAL 56 CO 0.06 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.40 2ka6 h LYS 58 N -0.16 0.09 -0.33 0.00 3.64 -1.71 -1.51 116.57 116.59 2ka6 h LYS 58 Ca 0.20 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 2ka6 h LYS 58 Cb 0.48 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2ka6 h LYS 58 CO -0.53 0.06 0.01 0.37 -2.27 0.00 0.00 179.45 177.09 2ka6 h GLN 59 N 0.09 0.58 -0.04 1.90 5.75 -1.05 -2.59 115.11 119.75 2ka6 h GLN 59 Ca 0.25 -0.18 -0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2ka6 h GLN 59 Cb 0.88 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.37 2ka6 h GLN 59 CO -0.02 0.70 0.02 -0.07 -2.65 0.00 0.00 178.83 176.81 2ka6 h LEU 60 N 0.39 0.05 -0.83 -2.39 4.07 -1.14 -2.82 115.31 112.64 2ka6 h LEU 60 Ca 0.10 -0.12 0.07 0.00 0.08 0.00 0.00 57.88 58.00 2ka6 h LEU 60 Cb 0.44 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.10 2ka6 h LEU 60 CO 0.02 0.15 0.50 0.40 -1.08 0.00 0.00 178.44 178.43 2ka6 h ILE 61 N -0.06 1.01 0.31 1.22 1.08 -1.39 0.21 117.51 119.89 2ka6 h ILE 61 Ca 0.01 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 2ka6 h ILE 61 Cb 0.12 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 33.90 2ka6 h ILE 61 CO -0.00 0.17 -0.15 0.00 -0.69 0.00 0.00 178.15 177.47 2ka6 h ALA 62 N 1.40 -0.42 -0.81 1.87 0.00 -1.42 0.19 119.26 120.06 2ka6 h ALA 62 Ca 0.37 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.27 2ka6 h ALA 62 Cb 0.20 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 2ka6 h ALA 62 CO -0.18 -0.74 0.47 1.25 0.00 0.00 0.00 179.25 180.05 2ka6 h LEU 63 N -0.42 0.69 -0.37 0.00 6.46 -1.15 -0.93 115.31 119.58 2ka6 h LEU 63 Ca -0.04 0.04 -0.18 0.00 -0.12 0.00 0.00 57.88 57.58 2ka6 h LEU 63 Cb 0.33 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 2ka6 h LEU 63 CO 0.07 0.41 -0.59 0.00 -0.62 0.00 0.00 178.44 177.71 2ka6 h TYR 66 N 1.00 0.69 0.09 0.00 3.20 -1.16 -1.71 116.97 119.08 2ka6 h TYR 66 Ca 0.25 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 2ka6 h TYR 66 Cb 0.05 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.13 2ka6 h TYR 66 CO -0.00 0.25 -0.04 1.25 -1.64 0.00 0.00 178.16 177.98 2ka6 h HIS 67 N 0.64 -0.11 -0.28 -3.82 2.76 -1.42 -3.36 115.15 109.56 2ka6 h HIS 67 Ca 0.37 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.62 2ka6 h HIS 67 Cb 0.39 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 2ka6 h HIS 67 CO -0.10 0.40 0.28 0.00 -1.30 0.00 0.00 177.93 177.21 2ka6 h ALA 68 N -0.30 1.99 -0.46 5.26 0.00 -0.48 -1.72 119.26 123.55 2ka6 h ALA 68 Ca -0.01 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2ka6 h ALA 68 Cb 0.56 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 2ka6 h ALA 68 CO 0.02 -0.43 0.11 0.87 0.00 0.00 0.00 179.25 179.82 2ka6 h LYS 69 N 0.00 0.24 0.00 0.00 1.57 -1.46 -3.18 116.57 113.74 2ka6 h LYS 69 Ca 0.13 -0.01 -0.29 0.00 -1.87 0.00 0.00 60.65 58.61 2ka6 h LYS 69 Cb 0.70 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.90 2ka6 h LYS 69 CO -0.00 0.16 -1.72 0.72 -0.57 0.00 0.00 179.45 178.04 2ka6 n HIS 70 N -5.09 1.00 -2.03 -1.35 8.25 -0.78 -4.98 115.22 110.25 2ka6 n HIS 70 Ca 0.04 0.36 -0.39 0.00 -0.26 0.00 0.00 57.72 57.47 2ka6 n HIS 70 Cb 0.21 -1.18 0.00 0.00 1.12 0.00 0.00 29.99 30.14 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 -0.08 -0.25 -2.31 0.00 6.02 -1.26 -4.92 117.38 114.57 2ka6 n GLN 72 Ca 0.05 -0.21 -0.33 0.00 -0.01 0.00 0.00 57.00 56.50 2ka6 n GLN 72 Cb 0.44 -0.67 -0.02 0.00 1.02 0.00 0.00 30.24 31.01 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 -0.02 3.68 0.00 -1.09 2.56 -1.26 -5.00 118.70 117.57 2ka6 s GLU 73 Ca 0.00 1.15 0.13 0.00 0.00 0.00 0.00 54.97 56.25 2ka6 s GLU 73 Cb 0.00 -2.09 0.02 0.00 2.00 0.00 0.00 34.13 34.06 2ka6 s GLU 73 CO 0.00 -0.50 0.78 0.09 -0.56 0.00 0.00 175.26 175.07 2ka6 n ASN 74 N -1.58 1.58 -0.07 -1.70 3.02 -1.26 -4.48 115.26 110.77 2ka6 n ASN 74 Ca 0.08 -1.29 0.04 0.00 -0.03 0.00 0.00 54.58 53.39 2ka6 n ASN 74 Cb 0.53 0.36 0.06 0.00 -0.61 0.00 0.00 39.78 40.13 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 0.03 1.74 -1.65 3.52 4.01 -1.26 -5.07 118.16 119.47 2ka6 n LYS 75 Ca 0.06 -1.87 -0.45 0.00 -0.51 0.00 0.00 58.31 55.54 2ka6 n LYS 75 Cb 0.29 -1.14 -0.03 0.00 -0.51 0.00 0.00 35.03 33.64 2ka6 n LYS 75 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2ka6 h PRO 77 N 3.94 0.00 -6.28 0.00 0.13 -1.95 -3.43 132.00 124.40 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 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 2ka6 h PRO 77 CO 0.74 0.27 0.88 0.08 -0.23 0.00 0.00 178.00 179.74 2ka6 s VAL 78 N -3.91 3.93 0.33 1.56 1.01 -1.26 -4.88 120.40 117.18 2ka6 s VAL 78 Ca -0.01 1.23 0.03 0.00 0.00 0.00 0.00 61.98 63.23 2ka6 s VAL 78 Cb 0.12 -3.79 0.15 0.00 0.00 0.00 0.00 36.38 32.86 2ka6 s VAL 78 CO 0.65 -0.05 1.86 1.55 0.00 0.00 0.00 175.10 179.11 2ka6 h PRO 79 N 8.18 0.56 0.00 2.72 0.13 -1.99 -3.02 132.00 138.59 2ka6 h PRO 79 Ca -0.34 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2ka6 h PRO 79 Cb 1.15 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2ka6 h PRO 79 CO 0.93 0.59 -0.10 0.74 -0.23 0.00 0.00 178.00 179.93 2ka6 h PHE 80 N 0.54 0.00 0.30 1.56 0.04 -1.96 -3.32 116.94 114.09 2ka6 h PHE 80 Ca 0.11 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 2ka6 h PHE 80 Cb 0.34 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 2ka6 h PHE 80 CO 0.01 0.04 -0.18 0.00 -0.60 0.00 0.00 178.31 177.58 2ka6 h LEU 82 N -0.46 0.27 -0.01 0.00 3.38 -1.70 0.30 115.31 117.10 2ka6 h LEU 82 Ca -0.03 0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 2ka6 h LEU 82 Cb 0.38 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2ka6 h LEU 82 CO 0.04 0.09 -0.60 0.78 0.09 0.00 0.00 178.44 178.85 2ka6 h ASN 83 N 0.44 0.55 0.04 -0.43 2.35 -1.60 -3.28 115.58 113.65 2ka6 h ASN 83 Ca 0.42 -0.74 -0.00 0.00 -0.55 0.00 0.00 56.30 55.43 2ka6 h ASN 83 Cb 0.66 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.86 2ka6 h ASN 83 CO -0.42 1.22 -0.02 0.40 -1.65 0.00 0.00 177.43 176.96 2ka6 h ILE 84 N -0.07 1.27 -0.95 2.81 2.04 -0.60 -3.30 117.51 118.71 2ka6 h ILE 84 Ca -0.07 -1.07 0.14 0.00 1.00 0.00 0.00 64.86 64.86 2ka6 h ILE 84 Cb 1.30 1.97 -0.09 0.00 -0.74 0.00 0.00 36.82 39.26 2ka6 h ILE 84 CO 0.12 0.27 0.57 0.07 0.00 0.00 0.00 178.15 179.18 2ka6 h LYS 85 N -0.53 0.82 -0.99 2.37 2.10 -1.10 -0.67 116.57 118.56 2ka6 h LYS 85 Ca -0.01 -0.05 0.09 0.00 -2.00 0.00 0.00 60.65 58.69 2ka6 h LYS 85 Cb 0.48 -0.18 -0.07 0.00 -0.90 0.00 0.00 32.23 31.55 2ka6 h LYS 85 CO 0.01 0.54 0.63 0.45 -2.00 0.00 0.00 179.45 179.08 2ka6 h HIS 86 N 0.84 1.15 0.11 0.07 3.86 -1.64 -0.82 115.15 118.72 2ka6 h HIS 86 Ca 0.50 0.03 -0.25 0.00 -1.16 0.00 0.00 60.37 59.49 2ka6 h HIS 86 Cb 0.61 -0.37 0.03 0.00 1.06 0.00 0.00 27.41 28.74 2ka6 h HIS 86 CO -0.03 0.53 -1.06 0.87 0.86 0.00 0.00 177.93 179.10 2ka6 h LYS 87 N 1.07 0.52 -0.64 2.45 1.57 -1.31 -3.29 116.57 116.93 2ka6 h LYS 87 Ca 0.46 -0.71 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 2ka6 h LYS 87 Cb 0.32 0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 2ka6 h LYS 87 CO -0.22 1.31 0.38 -0.07 -0.57 0.00 0.00 179.45 180.28 2ka6 h LEU 88 N 0.07 0.78 -2.14 2.94 3.38 -0.75 -2.39 115.31 117.20 2ka6 h LEU 88 Ca -0.17 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2ka6 h LEU 88 Cb 1.78 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.33 2ka6 h LEU 88 CO 0.20 0.63 -0.03 0.03 0.09 0.00 0.00 178.44 179.36 2ka6 h ARG 89 N 0.88 0.00 -0.00 1.13 2.47 -1.29 -1.45 114.38 116.12 2ka6 h ARG 89 Ca 0.23 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 2ka6 h ARG 89 Cb -0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2ka6 h ARG 89 CO -0.04 0.03 -0.09 1.04 0.56 0.00 0.00 179.97 181.47 2ka6 n GLN 90 N -4.18 0.23 0.00 0.04 6.02 -0.91 -3.77 117.38 114.81 2ka6 n GLN 90 Ca -0.03 -0.04 0.10 0.00 -0.01 0.00 0.00 57.00 57.01 2ka6 n GLN 90 Cb 0.11 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.83 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 -1.35 1.11 0.00 -1.09 1.13 -0.55 -5.11 117.38 111.52 2ka6 n GLN 91 Ca 0.10 -0.55 0.06 0.00 -1.94 0.00 0.00 57.00 54.66 2ka6 n GLN 91 Cb 0.30 -1.40 0.05 0.00 0.11 0.00 0.00 30.24 29.30 2ka6 n GLN 91 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62