#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 0.18 1.43 -0.04 -1.26 -2.82 135.00 132.49 2ka6 n PRO 2 Ca 0.00 0.24 0.04 0.00 -0.04 0.00 0.00 63.50 63.73 2ka6 n PRO 2 Cb 0.00 -0.98 0.30 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.00 0.54 1.08 -2.08 -3.10 115.11 111.55 2ka6 h GLN 3 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2ka6 h GLN 3 Cb 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2ka6 h GLN 3 CO 0.00 0.43 -0.05 0.93 -0.95 0.00 0.00 178.83 179.20 2ka6 h GLU 4 N 0.00 0.00 -0.69 1.46 5.08 -2.02 -3.22 114.58 115.20 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 0.92 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.06 2ka6 h GLU 4 CO 0.06 0.05 0.05 1.03 -1.00 0.00 0.00 179.01 179.19 2ka6 h SER 5 N 0.00 -0.22 0.21 1.42 0.87 -1.44 0.27 113.55 114.66 2ka6 h SER 5 Ca -0.00 0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2ka6 h SER 5 Cb 0.10 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2ka6 h SER 5 CO 0.01 -0.12 -0.10 0.03 -0.53 0.00 0.00 176.83 176.12 2ka6 h ARG 6 N 0.15 -0.28 -0.18 2.24 3.08 -1.81 -1.98 114.38 115.60 2ka6 h ARG 6 Ca 0.37 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.49 2ka6 h ARG 6 Cb 0.64 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.70 2ka6 h ARG 6 CO -0.57 -0.06 -0.11 0.00 -1.07 0.00 0.00 179.97 178.16 2ka6 h ARG 7 N -0.45 -0.10 -0.32 0.04 3.08 -1.54 -0.88 114.38 114.22 2ka6 h ARG 7 Ca -0.03 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 2ka6 h ARG 7 Cb 0.34 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 2ka6 h ARG 7 CO 0.05 -0.06 -0.12 -0.07 -1.07 0.00 0.00 179.97 178.69 2ka6 h LEU 8 N -0.10 0.54 -0.48 3.04 3.38 -1.02 -2.77 115.31 117.89 2ka6 h LEU 8 Ca 0.10 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 2ka6 h LEU 8 Cb 0.26 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2ka6 h LEU 8 CO -0.25 0.69 -0.32 0.28 0.09 0.00 0.00 178.44 178.94 2ka6 h SER 9 N 0.51 0.95 -0.97 -0.43 0.02 -0.87 -3.07 113.55 109.70 2ka6 h SER 9 Ca 0.09 -0.40 0.04 0.00 -0.84 0.00 0.00 61.79 60.68 2ka6 h SER 9 Cb 0.52 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.73 2ka6 h SER 9 CO 0.03 1.18 0.63 0.40 -1.14 0.00 0.00 176.83 177.94 2ka6 h ILE 10 N 0.76 1.17 -0.68 3.27 2.04 -0.95 -1.69 117.51 121.43 2ka6 h ILE 10 Ca 0.08 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.55 2ka6 h ILE 10 Cb 0.89 -0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 2ka6 h ILE 10 CO 0.08 0.22 0.45 1.56 0.00 0.00 0.00 178.15 180.46 2ka6 h GLN 11 N 1.22 0.79 -0.71 2.37 1.08 -1.40 -0.45 115.11 118.01 2ka6 h GLN 11 Ca 0.38 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.49 2ka6 h GLN 11 Cb 0.01 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.23 2ka6 h GLN 11 CO -0.12 0.52 0.26 0.00 -0.95 0.00 0.00 178.83 178.55 2ka6 h ARG 12 N 0.81 1.07 -0.60 1.46 3.08 -1.30 -1.06 114.38 117.86 2ka6 h ARG 12 Ca 0.27 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 2ka6 h ARG 12 Cb 0.06 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2ka6 h ARG 12 CO -0.07 0.90 -0.02 0.00 -1.07 0.00 0.00 179.97 179.70 2ka6 h ILE 14 N 0.97 1.04 -0.99 0.00 2.04 -0.80 -0.33 117.51 119.44 2ka6 h ILE 14 Ca 0.17 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.95 2ka6 h ILE 14 Cb 0.59 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 2ka6 h ILE 14 CO 0.04 0.04 0.65 1.56 0.00 0.00 0.00 178.15 180.44 2ka6 h GLN 15 N 0.10 1.26 -0.45 2.37 4.20 -1.09 -0.26 115.11 121.24 2ka6 h GLN 15 Ca 0.03 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2ka6 h GLN 15 Cb 0.01 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 2ka6 h GLN 15 CO -0.01 0.83 0.19 0.77 -0.67 0.00 0.00 178.83 179.94 2ka6 h SER 16 N 1.30 0.61 -0.37 1.46 0.02 -0.80 -0.46 113.55 115.31 2ka6 h SER 16 Ca 0.38 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 61.08 2ka6 h SER 16 Cb -0.08 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 2ka6 h SER 16 CO -0.10 0.60 -0.12 0.25 -1.14 0.00 0.00 176.83 176.32 2ka6 h LEU 17 N 0.58 0.74 -0.55 5.07 5.85 -0.74 -1.01 115.31 125.26 2ka6 h LEU 17 Ca 0.15 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.52 2ka6 h LEU 17 Cb 0.18 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2ka6 h LEU 17 CO -0.01 0.95 0.33 0.58 -0.34 0.00 0.00 178.44 179.95 2ka6 h VAL 18 N 0.53 1.07 0.49 1.05 2.07 -0.96 -0.18 116.25 120.32 2ka6 h VAL 18 Ca 0.09 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2ka6 h VAL 18 Cb 0.64 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2ka6 h VAL 18 CO 0.04 0.12 -0.24 -0.74 0.02 0.00 0.00 177.57 176.77 2ka6 h HIS 19 N 0.66 -0.63 -0.58 1.57 -0.00 -1.00 -3.04 115.15 112.13 2ka6 h HIS 19 Ca 0.22 -0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.69 2ka6 h HIS 19 Cb 0.01 0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.60 2ka6 h HIS 19 CO -0.06 -0.39 0.40 0.00 -0.00 0.00 0.00 177.93 177.88 2ka6 h ALA 20 N -0.16 2.13 0.00 5.26 0.00 -0.85 0.11 119.26 125.75 2ka6 h ALA 20 Ca -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2ka6 h ALA 20 Cb 0.52 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2ka6 h ALA 20 CO 0.11 -0.27 -0.15 0.00 0.00 0.00 0.00 179.25 178.94 2ka6 n GLN 22 N -3.66 1.05 -1.91 0.00 6.02 -0.46 -4.96 117.38 113.46 2ka6 n GLN 22 Ca -0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.65 2ka6 n GLN 22 Cb 0.27 -1.46 0.03 0.00 1.02 0.00 0.00 30.24 30.10 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 -2.24 1.71 -1.67 0.00 5.12 -1.26 -4.88 116.66 113.44 2ka6 n ARG 24 Ca 0.09 -0.01 -0.44 0.00 -1.93 0.00 0.00 57.85 55.57 2ka6 n ARG 24 Cb 0.53 -0.16 -0.03 0.00 -1.16 0.00 0.00 32.46 31.63 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 -0.25 3.96 0.24 0.55 3.02 -1.26 -4.90 115.26 116.62 2ka6 n ASN 25 Ca 0.00 0.93 0.10 0.00 -0.03 0.00 0.00 54.58 55.58 2ka6 n ASN 25 Cb 0.01 -1.49 0.61 0.00 -0.61 0.00 0.00 39.78 38.30 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 9.98 1.31 -0.77 5.41 0.00 -2.00 -3.24 119.26 129.95 2ka6 h ALA 26 Ca -0.49 -0.16 -0.41 0.00 0.00 0.00 0.00 54.91 53.84 2ka6 h ALA 26 Cb 1.25 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 18.59 2ka6 h ALA 26 CO 0.94 0.23 -0.97 0.09 0.00 0.00 0.00 179.25 179.53 2ka6 n ASN 27 N -3.75 3.15 -4.53 0.00 5.03 -1.26 -4.89 115.26 109.00 2ka6 n ASN 27 Ca -0.02 -2.95 -0.41 0.00 0.87 0.00 0.00 54.58 52.07 2ka6 n ASN 27 Cb 0.29 -0.44 0.02 0.00 -1.02 0.00 0.00 39.78 38.63 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 1.00 0.00 -3.31 0.00 4.64 -1.99 -3.42 113.55 110.46 2ka6 h SER 29 Ca -0.43 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.32 2ka6 h SER 29 Cb 1.37 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.41 2ka6 h SER 29 CO 0.53 0.00 0.40 -0.76 -0.87 0.00 0.00 176.83 176.13 2ka6 s LEU 30 N -4.59 4.25 0.34 5.97 1.43 -1.26 -4.97 118.68 119.85 2ka6 s LEU 30 Ca -0.00 1.36 0.05 0.00 -1.03 0.00 0.00 54.13 54.51 2ka6 s LEU 30 Cb 0.07 -3.36 0.61 0.00 0.03 0.00 0.00 46.19 43.54 2ka6 s LEU 30 CO 0.27 -0.35 1.85 1.55 0.23 0.00 0.00 176.35 179.90 2ka6 h PRO 31 N 7.09 0.44 -0.14 1.29 0.13 -2.01 -3.02 132.00 135.78 2ka6 h PRO 31 Ca -0.33 -0.11 -0.16 0.00 -0.87 0.00 0.00 66.00 64.53 2ka6 h PRO 31 Cb 1.16 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 32.24 2ka6 h PRO 31 CO 0.82 0.54 -0.53 0.66 -0.23 0.00 0.00 178.00 179.25 2ka6 h SER 32 N 0.41 0.70 -0.57 1.44 4.64 -1.94 -3.28 113.55 114.95 2ka6 h SER 32 Ca 0.08 -0.62 0.11 0.00 -0.47 0.00 0.00 61.79 60.90 2ka6 h SER 32 Cb 0.42 -0.21 -0.09 0.00 -0.31 0.00 0.00 62.40 62.21 2ka6 h SER 32 CO 0.02 1.20 0.03 0.00 -0.87 0.00 0.00 176.83 177.21 2ka6 h GLN 34 N 0.15 0.00 0.04 0.00 4.20 -1.63 -2.25 115.11 115.62 2ka6 h GLN 34 Ca 0.29 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.73 2ka6 h GLN 34 Cb 0.46 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 2ka6 h GLN 34 CO -0.46 0.00 -1.51 1.17 -0.67 0.00 0.00 178.83 177.36 2ka6 n LYS 35 N -3.85 0.63 -0.33 1.46 4.81 0.05 -4.07 118.16 116.86 2ka6 n LYS 35 Ca -0.02 0.47 0.09 0.00 -0.87 0.00 0.00 58.31 57.99 2ka6 n LYS 35 Cb 0.15 -1.74 0.29 0.00 0.02 0.00 0.00 35.03 33.76 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 -0.65 0.85 -0.43 1.64 2.86 -0.40 -0.17 114.93 118.64 2ka6 h MET 36 Ca -0.38 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.19 2ka6 h MET 36 Cb 1.55 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 33.00 2ka6 h MET 36 CO -0.11 0.56 0.18 0.87 1.06 0.00 0.00 176.91 179.47 2ka6 h LYS 37 N 0.88 0.64 -0.47 1.72 1.57 -1.61 -0.33 116.57 118.97 2ka6 h LYS 37 Ca 0.48 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 59.10 2ka6 h LYS 37 Cb 0.59 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2ka6 h LYS 37 CO -0.25 0.58 0.09 0.00 -0.57 0.00 0.00 179.45 179.29 2ka6 h ARG 38 N 0.56 0.77 0.23 3.15 3.08 -1.43 -1.75 114.38 118.98 2ka6 h ARG 38 Ca 0.15 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2ka6 h ARG 38 Cb 0.17 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2ka6 h ARG 38 CO -0.01 0.77 -0.19 0.28 -1.07 0.00 0.00 179.97 179.75 2ka6 h VAL 39 N 0.64 0.59 -0.55 2.04 2.07 -0.93 -0.47 116.25 119.65 2ka6 h VAL 39 Ca 0.14 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 2ka6 h VAL 39 Cb 0.37 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2ka6 h VAL 39 CO 0.01 0.00 0.14 1.62 0.02 0.00 0.00 177.57 179.35 2ka6 h VAL 40 N -0.43 1.25 -0.83 2.57 3.04 -1.06 -2.60 116.25 118.19 2ka6 h VAL 40 Ca -0.01 -0.88 0.08 0.00 -1.01 0.00 0.00 66.70 64.89 2ka6 h VAL 40 Cb 0.39 0.76 -0.07 0.00 -2.01 0.00 0.00 31.29 30.36 2ka6 h VAL 40 CO -0.02 0.32 0.49 1.56 -1.01 0.00 0.00 177.57 178.91 2ka6 h GLN 41 N 0.78 0.82 0.67 4.17 1.08 -1.19 0.22 115.11 121.66 2ka6 h GLN 41 Ca 0.17 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.29 2ka6 h GLN 41 Cb 0.34 -0.18 0.01 0.00 -0.05 0.00 0.00 27.48 27.59 2ka6 h GLN 41 CO 0.00 0.54 -0.32 1.25 -0.95 0.00 0.00 178.83 179.35 2ka6 h HIS 42 N 0.84 -0.83 -0.58 2.96 2.76 -0.85 -3.14 115.15 116.31 2ka6 h HIS 42 Ca 0.39 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.55 2ka6 h HIS 42 Cb 0.30 0.28 -0.03 0.00 1.55 0.00 0.00 27.41 29.50 2ka6 h HIS 42 CO -0.05 -0.52 0.39 1.15 -1.30 0.00 0.00 177.93 177.60 2ka6 h THR 43 N -0.90 1.13 0.00 6.26 2.02 -1.12 -1.38 112.91 118.92 2ka6 h THR 43 Ca -0.09 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2ka6 h THR 43 Cb 0.69 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2ka6 h THR 43 CO 0.15 0.14 0.02 0.29 0.37 0.00 0.00 175.52 176.49 2ka6 n LYS 44 N -4.45 0.00 -0.31 6.66 5.02 0.03 -2.95 118.16 122.16 2ka6 n LYS 44 Ca 0.06 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 2ka6 n LYS 44 Cb 0.06 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 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 -0.17 3.73 0.72 0.00 -0.72 -5.08 105.19 102.20 2ka6 n GLY 45 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.51 1.77 0.00 0.00 4.76 -1.26 -4.74 118.16 117.18 2ka6 n LYS 47 Ca 0.14 -1.72 0.00 0.00 -2.87 0.00 0.00 58.31 53.85 2ka6 n LYS 47 Cb 0.47 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 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 0.84 0.00 0.00 1.97 1.85 -1.26 -5.06 116.66 115.00 2ka6 n ARG 48 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 2ka6 n ARG 48 Cb 0.42 -0.47 0.00 0.00 -1.05 0.00 0.00 32.46 31.36 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 -2.04 0.00 0.08 2.89 0.00 -1.26 -1.63 118.16 116.19 2ka6 n LYS 49 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.34 2ka6 n LYS 49 Cb 0.13 0.00 0.40 0.00 -0.00 0.00 0.00 35.03 35.56 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 0.00 1.15 0.00 0.58 1.35 -1.92 0.27 112.91 114.34 2ka6 h THR 50 Ca 0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 2ka6 h THR 50 Cb 0.00 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 2ka6 h THR 50 CO 0.00 0.20 0.00 -1.13 -0.25 0.00 0.00 175.52 174.34 2ka6 h ASN 51 N 0.35 0.00 0.00 5.36 -0.73 -1.97 -3.34 115.58 115.25 2ka6 h ASN 51 Ca 0.08 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.23 2ka6 h ASN 51 Cb 0.23 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.82 2ka6 h ASN 51 CO 0.00 0.00 -1.08 0.61 -0.37 0.00 0.00 177.43 176.59 2ka6 n GLY 52 N -0.23 -0.03 0.00 1.57 0.00 -0.65 -5.08 105.19 100.78 2ka6 n GLY 52 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 3.34 -0.64 3.69 -0.02 0.00 -0.14 -5.01 105.19 106.41 2ka6 n GLY 53 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 8.67 0.00 0.38 0.00 0.13 -2.00 -3.18 132.00 136.00 2ka6 h PRO 55 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2ka6 h PRO 55 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2ka6 h PRO 55 CO 0.95 0.48 -0.18 0.28 -0.23 0.00 0.00 178.00 179.30 2ka6 h VAL 56 N 0.00 0.05 -0.40 1.56 2.07 -1.98 -2.97 116.25 114.59 2ka6 h VAL 56 Ca -0.00 -0.65 0.08 0.00 0.82 0.00 0.00 66.70 66.95 2ka6 h VAL 56 Cb 1.16 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.93 2ka6 h VAL 56 CO 0.06 0.01 -0.28 0.00 0.02 0.00 0.00 177.57 177.39 2ka6 h LYS 58 N -0.21 0.27 -0.38 0.00 3.64 -1.68 -1.13 116.57 117.09 2ka6 h LYS 58 Ca 0.19 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 2ka6 h LYS 58 Cb 0.50 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2ka6 h LYS 58 CO -0.52 0.18 0.00 0.37 -2.27 0.00 0.00 179.45 177.21 2ka6 h GLN 59 N 0.28 0.67 -0.08 1.90 5.75 -0.92 -2.62 115.11 120.09 2ka6 h GLN 59 Ca 0.43 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.71 2ka6 h GLN 59 Cb 1.23 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.72 2ka6 h GLN 59 CO -0.11 0.77 0.02 -0.07 -2.65 0.00 0.00 178.83 176.79 2ka6 h LEU 60 N 0.49 0.12 -0.80 -2.39 4.07 -1.06 -2.99 115.31 112.75 2ka6 h LEU 60 Ca 0.11 -0.21 0.07 0.00 0.08 0.00 0.00 57.88 57.93 2ka6 h LEU 60 Cb 0.46 -0.03 -0.06 0.00 1.08 0.00 0.00 40.66 42.11 2ka6 h LEU 60 CO 0.02 0.30 0.47 0.40 -1.08 0.00 0.00 178.44 178.55 2ka6 h ILE 61 N -0.07 0.98 0.25 1.22 1.08 -1.35 0.18 117.51 119.79 2ka6 h ILE 61 Ca 0.03 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.20 2ka6 h ILE 61 Cb 0.23 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.04 2ka6 h ILE 61 CO -0.00 0.15 -0.17 0.00 -0.69 0.00 0.00 178.15 177.44 2ka6 h ALA 62 N 1.41 -0.40 -0.77 1.87 0.00 -1.47 0.18 119.26 120.08 2ka6 h ALA 62 Ca 0.36 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.29 2ka6 h ALA 62 Cb 0.24 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 2ka6 h ALA 62 CO -0.20 -0.74 0.42 1.25 0.00 0.00 0.00 179.25 179.98 2ka6 h LEU 63 N -0.42 0.60 -0.44 0.00 6.46 -1.26 -1.42 115.31 118.83 2ka6 h LEU 63 Ca -0.02 0.05 -0.17 0.00 -0.12 0.00 0.00 57.88 57.62 2ka6 h LEU 63 Cb 0.36 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.22 2ka6 h LEU 63 CO 0.01 0.35 -0.58 0.00 -0.62 0.00 0.00 178.44 177.59 2ka6 h TYR 66 N 0.78 1.03 0.05 0.00 3.20 -1.29 -1.07 116.97 119.68 2ka6 h TYR 66 Ca 0.19 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 2ka6 h TYR 66 Cb 0.18 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.12 2ka6 h TYR 66 CO 0.01 0.47 -0.02 1.25 -1.64 0.00 0.00 178.16 178.23 2ka6 h HIS 67 N 0.96 -0.06 -0.60 -3.82 2.76 -1.41 -3.38 115.15 109.59 2ka6 h HIS 67 Ca 0.43 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.75 2ka6 h HIS 67 Cb 0.39 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.33 2ka6 h HIS 67 CO -0.00 0.29 0.42 0.00 -1.30 0.00 0.00 177.93 177.34 2ka6 h ALA 68 N -0.64 2.33 -0.85 5.26 0.00 -0.49 -0.74 119.26 124.13 2ka6 h ALA 68 Ca -0.01 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2ka6 h ALA 68 Cb 0.38 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 2ka6 h ALA 68 CO 0.01 -0.50 0.51 0.87 0.00 0.00 0.00 179.25 180.15 2ka6 h LYS 69 N 0.17 0.87 0.07 0.00 1.57 -1.36 -3.10 116.57 114.78 2ka6 h LYS 69 Ca 0.29 -0.05 -0.33 0.00 -1.87 0.00 0.00 60.65 58.69 2ka6 h LYS 69 Cb 0.91 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 2ka6 h LYS 69 CO -0.05 0.58 -1.85 1.58 -0.57 0.00 0.00 179.45 179.15 2ka6 n HIS 70 N -4.67 1.15 -1.79 -1.35 -0.00 -0.75 -4.97 115.22 102.84 2ka6 n HIS 70 Ca 0.13 0.32 -0.38 0.00 0.46 0.00 0.00 57.72 58.25 2ka6 n HIS 70 Cb 0.22 -1.18 0.04 0.00 -0.12 0.00 0.00 29.99 28.95 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 -1.11 -0.13 -2.07 0.00 6.02 -1.26 -4.90 117.38 113.92 2ka6 n GLN 72 Ca 0.11 -0.20 -0.32 0.00 -0.01 0.00 0.00 57.00 56.58 2ka6 n GLN 72 Cb 0.45 -0.63 -0.00 0.00 1.02 0.00 0.00 30.24 31.09 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 -0.03 3.56 0.00 -1.09 2.56 -1.26 -5.01 118.70 117.43 2ka6 s GLU 73 Ca 0.00 0.97 0.10 0.00 0.00 0.00 0.00 54.97 56.04 2ka6 s GLU 73 Cb 0.00 -2.08 -0.02 0.00 2.00 0.00 0.00 34.13 34.04 2ka6 s GLU 73 CO 0.00 -0.59 0.62 0.09 -0.56 0.00 0.00 175.26 174.82 2ka6 n ASN 74 N -2.19 1.16 -0.11 -1.70 3.02 -1.26 -4.57 115.26 109.60 2ka6 n ASN 74 Ca 0.07 -1.08 0.07 0.00 -0.03 0.00 0.00 54.58 53.61 2ka6 n ASN 74 Cb 0.54 0.53 0.09 0.00 -0.61 0.00 0.00 39.78 40.33 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 -0.36 1.34 -1.65 3.52 4.01 -1.26 -5.03 118.16 118.73 2ka6 n LYS 75 Ca 0.04 -2.13 -0.44 0.00 -0.51 0.00 0.00 58.31 55.27 2ka6 n LYS 75 Cb 0.21 -1.25 -0.02 0.00 -0.51 0.00 0.00 35.03 33.46 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 2.93 0.00 -6.40 0.00 0.13 -1.96 -3.43 132.00 123.27 2ka6 h PRO 77 Ca -0.44 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.15 2ka6 h PRO 77 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2ka6 h PRO 77 CO 0.66 0.25 0.86 0.08 -0.23 0.00 0.00 178.00 179.62 2ka6 s VAL 78 N -4.08 3.56 0.27 1.56 1.01 -1.26 -4.86 120.40 116.61 2ka6 s VAL 78 Ca -0.02 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 62.92 2ka6 s VAL 78 Cb 0.13 -3.62 0.11 0.00 0.00 0.00 0.00 36.38 32.99 2ka6 s VAL 78 CO 0.65 0.00 1.76 1.55 0.00 0.00 0.00 175.10 179.07 2ka6 h PRO 79 N 7.88 0.71 0.00 2.72 0.13 -1.98 -3.14 132.00 138.32 2ka6 h PRO 79 Ca -0.39 -0.20 -0.12 0.00 -0.87 0.00 0.00 66.00 64.42 2ka6 h PRO 79 Cb 1.18 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 2ka6 h PRO 79 CO 0.91 0.76 -0.58 0.74 -0.23 0.00 0.00 178.00 179.59 2ka6 h PHE 80 N 0.66 0.00 -0.16 1.56 0.04 -1.96 -3.34 116.94 113.74 2ka6 h PHE 80 Ca 0.13 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.94 2ka6 h PHE 80 Cb 0.48 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.56 2ka6 h PHE 80 CO 0.02 0.58 -0.37 0.00 -0.60 0.00 0.00 178.31 177.95 2ka6 h LEU 82 N -0.42 0.15 -0.57 0.00 -0.00 -1.73 0.46 115.31 113.20 2ka6 h LEU 82 Ca 0.10 -0.02 0.08 0.00 -0.00 0.00 0.00 57.88 58.04 2ka6 h LEU 82 Cb 0.58 -0.04 -0.06 0.00 -0.00 0.00 0.00 40.66 41.14 2ka6 h LEU 82 CO -0.39 0.12 0.22 0.78 -0.00 0.00 0.00 178.44 179.17 2ka6 h ASN 83 N 0.16 0.25 0.16 -0.43 4.21 -1.56 -1.41 115.58 116.96 2ka6 h ASN 83 Ca 0.05 0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.61 2ka6 h ASN 83 Cb -0.00 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 2ka6 h ASN 83 CO -0.01 0.16 -0.08 0.40 -1.29 0.00 0.00 177.43 176.61 2ka6 h ILE 84 N 0.42 0.91 -0.60 2.81 2.04 -0.89 -3.30 117.51 118.90 2ka6 h ILE 84 Ca 0.28 -1.06 0.11 0.00 1.00 0.00 0.00 64.86 65.19 2ka6 h ILE 84 Cb 0.30 1.48 -0.12 0.00 -0.74 0.00 0.00 36.82 37.75 2ka6 h ILE 84 CO -0.26 0.22 -0.28 0.50 0.00 0.00 0.00 178.15 178.32 2ka6 h LYS 85 N -0.80 -0.12 -0.75 2.37 3.64 -0.74 -0.08 116.57 120.09 2ka6 h LYS 85 Ca -0.02 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.49 2ka6 h LYS 85 Cb 0.53 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 2ka6 h LYS 85 CO 0.04 -0.08 0.50 0.45 -2.27 0.00 0.00 179.45 178.08 2ka6 h HIS 86 N -0.12 0.60 0.21 1.91 3.86 -1.39 -1.09 115.15 119.13 2ka6 h HIS 86 Ca 0.25 0.02 -0.32 0.00 -1.16 0.00 0.00 60.37 59.16 2ka6 h HIS 86 Cb 0.53 -0.19 0.03 0.00 1.06 0.00 0.00 27.41 28.84 2ka6 h HIS 86 CO -0.60 0.26 -1.40 0.87 0.86 0.00 0.00 177.93 177.92 2ka6 h LYS 87 N 0.54 0.54 -0.51 2.45 1.57 -1.21 -3.37 116.57 116.59 2ka6 h LYS 87 Ca 0.36 -0.86 -0.10 0.00 -1.87 0.00 0.00 60.65 58.18 2ka6 h LYS 87 Cb 0.65 0.31 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 2ka6 h LYS 87 CO -0.13 1.41 -0.08 -0.07 -0.57 0.00 0.00 179.45 180.01 2ka6 h LEU 88 N 0.18 0.91 -1.77 2.94 3.38 -0.22 -2.99 115.31 117.74 2ka6 h LEU 88 Ca -0.23 -0.27 0.19 0.00 0.09 0.00 0.00 57.88 57.66 2ka6 h LEU 88 Cb 2.09 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 42.55 2ka6 h LEU 88 CO 0.26 1.01 0.53 0.03 0.09 0.00 0.00 178.44 180.36 2ka6 h ARG 89 N 0.83 0.20 0.00 1.13 2.47 -1.38 0.94 114.38 118.56 2ka6 h ARG 89 Ca 0.14 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2ka6 h ARG 89 Cb 0.60 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 2ka6 h ARG 89 CO 0.04 0.13 0.00 1.04 0.56 0.00 0.00 179.97 181.74 2ka6 n GLN 90 N -4.41 0.68 0.00 0.04 6.02 -1.13 -4.19 117.38 114.40 2ka6 n GLN 90 Ca 0.15 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 2ka6 n GLN 90 Cb 0.69 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.45 2ka6 n GLN 90 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ka6 n GLN 91 N -1.04 0.03 0.00 -1.09 10.64 -0.26 -5.15 117.38 120.51 2ka6 n GLN 91 Ca 0.17 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.34 2ka6 n GLN 91 Cb 0.09 -0.59 0.00 0.00 -0.86 0.00 0.00 30.24 28.89 2ka6 n GLN 91 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27