#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 -0.76 0.00 1.43 0.13 -2.08 -3.23 132.00 127.49 2ka6 h PRO 2 Ca 0.00 0.05 -0.29 0.00 -0.87 0.00 0.00 66.00 64.89 2ka6 h PRO 2 Cb 0.00 0.17 -0.05 0.00 0.13 0.00 0.00 31.00 31.25 2ka6 h PRO 2 CO 0.00 -0.51 -1.70 1.96 -0.23 0.00 0.00 178.00 177.53 2ka6 h GLN 3 N -1.19 0.00 -0.09 0.86 1.08 -2.07 -3.39 115.11 110.31 2ka6 h GLN 3 Ca -0.08 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.14 2ka6 h GLN 3 Cb 0.61 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.03 2ka6 h GLN 3 CO 0.13 0.51 0.08 0.93 -0.95 0.00 0.00 178.83 179.54 2ka6 h GLU 4 N 0.00 0.00 -0.58 1.46 3.07 -2.01 -3.19 114.58 113.33 2ka6 h GLU 4 Ca -0.28 0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.69 2ka6 h GLU 4 Cb 2.01 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 29.83 2ka6 h GLU 4 CO 0.08 0.00 0.07 0.66 -1.40 0.00 0.00 179.01 178.43 2ka6 h SER 5 N 0.00 -0.10 -0.08 1.42 4.64 -1.76 0.58 113.55 118.25 2ka6 h SER 5 Ca 0.04 0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 2ka6 h SER 5 Cb 0.21 0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2ka6 h SER 5 CO -0.00 -0.03 -0.01 0.03 -0.87 0.00 0.00 176.83 175.95 2ka6 h ARG 6 N 0.20 0.15 -0.43 4.77 3.08 -1.89 -2.35 114.38 117.90 2ka6 h ARG 6 Ca 0.30 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.37 2ka6 h ARG 6 Cb 0.46 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 2ka6 h ARG 6 CO -0.43 0.45 0.06 0.00 -1.07 0.00 0.00 179.97 178.98 2ka6 h ARG 7 N -0.16 0.18 -0.16 0.04 3.08 -1.54 -2.00 114.38 113.81 2ka6 h ARG 7 Ca 0.02 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.90 2ka6 h ARG 7 Cb 0.39 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2ka6 h ARG 7 CO 0.01 0.12 -0.56 -0.07 -1.07 0.00 0.00 179.97 178.39 2ka6 h LEU 8 N 0.18 0.56 -0.65 3.04 3.38 -0.97 -3.21 115.31 117.65 2ka6 h LEU 8 Ca 0.21 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2ka6 h LEU 8 Cb 0.28 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2ka6 h LEU 8 CO -0.31 1.01 0.12 0.28 0.09 0.00 0.00 178.44 179.64 2ka6 h SER 9 N 0.39 1.01 -0.58 -0.43 0.02 -0.98 -2.92 113.55 110.06 2ka6 h SER 9 Ca 0.00 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.74 2ka6 h SER 9 Cb 1.10 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 2ka6 h SER 9 CO 0.10 1.01 0.39 0.40 -1.14 0.00 0.00 176.83 177.58 2ka6 h ILE 10 N 0.98 1.07 -0.75 3.27 2.04 -1.38 -2.08 117.51 120.66 2ka6 h ILE 10 Ca 0.20 -0.23 0.10 0.00 1.00 0.00 0.00 64.86 65.93 2ka6 h ILE 10 Cb 0.41 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 2ka6 h ILE 10 CO 0.01 0.12 0.49 1.56 0.00 0.00 0.00 178.15 180.34 2ka6 h GLN 11 N 0.67 0.61 -0.61 2.37 1.08 -1.53 -0.97 115.11 116.73 2ka6 h GLN 11 Ca 0.23 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.34 2ka6 h GLN 11 Cb 0.10 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 2ka6 h GLN 11 CO -0.06 0.40 0.16 0.00 -0.95 0.00 0.00 178.83 178.38 2ka6 h ARG 12 N 0.63 0.98 -0.56 1.46 3.08 -1.47 -1.15 114.38 117.34 2ka6 h ARG 12 Ca 0.35 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 2ka6 h ARG 12 Cb 0.52 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2ka6 h ARG 12 CO -0.13 0.89 0.06 0.00 -1.07 0.00 0.00 179.97 179.72 2ka6 h ILE 14 N 0.85 1.00 -0.97 0.00 2.04 -0.94 -0.42 117.51 119.07 2ka6 h ILE 14 Ca 0.17 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 66.04 2ka6 h ILE 14 Cb 0.46 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 2ka6 h ILE 14 CO 0.02 0.00 0.64 1.56 0.00 0.00 0.00 178.15 180.37 2ka6 h GLN 15 N 0.02 1.24 -0.44 2.37 1.08 -1.13 -0.09 115.11 118.16 2ka6 h GLN 15 Ca 0.01 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 2ka6 h GLN 15 Cb -0.00 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 27.13 2ka6 h GLN 15 CO -0.00 0.82 0.16 0.77 -0.95 0.00 0.00 178.83 179.62 2ka6 h SER 16 N 1.27 0.62 -0.36 1.46 0.02 -0.91 -0.35 113.55 115.31 2ka6 h SER 16 Ca 0.37 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 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 0.63 -0.12 0.25 -1.14 0.00 0.00 176.83 176.35 2ka6 h LEU 17 N 0.56 0.73 -0.57 5.07 5.85 -0.78 -1.32 115.31 124.85 2ka6 h LEU 17 Ca 0.14 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.51 2ka6 h LEU 17 Cb 0.22 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2ka6 h LEU 17 CO -0.01 0.94 0.35 0.58 -0.34 0.00 0.00 178.44 179.96 2ka6 h VAL 18 N 0.51 1.06 0.48 1.05 2.07 -0.93 -0.32 116.25 120.17 2ka6 h VAL 18 Ca 0.09 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2ka6 h VAL 18 Cb 0.64 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2ka6 h VAL 18 CO 0.04 0.12 -0.27 -0.74 0.02 0.00 0.00 177.57 176.75 2ka6 h HIS 19 N 0.68 -0.71 -0.66 1.57 -0.00 -0.98 -3.03 115.15 112.04 2ka6 h HIS 19 Ca 0.23 -0.01 0.13 0.00 -0.00 0.00 0.00 60.37 60.72 2ka6 h HIS 19 Cb 0.03 0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 27.64 2ka6 h HIS 19 CO -0.06 -0.42 0.44 0.00 -0.00 0.00 0.00 177.93 177.89 2ka6 h ALA 20 N -0.21 2.15 0.00 5.26 0.00 -0.85 0.12 119.26 125.73 2ka6 h ALA 20 Ca -0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2ka6 h ALA 20 Cb 0.56 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2ka6 h ALA 20 CO 0.08 -0.32 -0.21 0.00 0.00 0.00 0.00 179.25 178.79 2ka6 n GLN 22 N -3.61 0.68 -1.44 0.00 6.02 -0.46 -4.94 117.38 113.63 2ka6 n GLN 22 Ca -0.01 0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.71 2ka6 n GLN 22 Cb 0.35 -1.55 0.08 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 -3.08 2.17 -1.75 0.00 5.12 -1.26 -4.90 116.66 112.97 2ka6 n ARG 24 Ca 0.10 -0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.59 2ka6 n ARG 24 Cb 0.52 -0.18 -0.03 0.00 -1.16 0.00 0.00 32.46 31.62 2ka6 n ARG 24 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2ka6 s ASN 25 N -0.31 6.22 0.58 0.55 0.01 -1.26 -4.89 114.94 115.84 2ka6 s ASN 25 Ca 0.00 2.31 0.27 0.00 -0.71 0.00 0.00 52.86 54.73 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 -1.29 2.24 0.00 -1.51 0.00 0.00 177.10 176.54 2ka6 h ALA 26 N 11.58 1.61 -1.49 0.60 0.00 -1.99 -3.21 119.26 126.37 2ka6 h ALA 26 Ca -0.45 -0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.05 2ka6 h ALA 26 Cb 1.22 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.62 2ka6 h ALA 26 CO 0.95 -0.01 -1.16 0.09 0.00 0.00 0.00 179.25 179.13 2ka6 n ASN 27 N -3.97 0.94 -4.36 0.00 3.02 -1.26 -4.86 115.26 104.77 2ka6 n ASN 27 Ca -0.03 -2.89 -0.34 0.00 -0.03 0.00 0.00 54.58 51.29 2ka6 n ASN 27 Cb 0.09 -0.48 0.10 0.00 -0.61 0.00 0.00 39.78 38.87 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 -1.26 0.00 -3.39 0.00 4.64 -2.01 -3.43 113.55 108.10 2ka6 h SER 29 Ca -0.44 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.33 2ka6 h SER 29 Cb 1.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 2ka6 h SER 29 CO 0.34 0.02 0.26 -0.76 -0.87 0.00 0.00 176.83 175.82 2ka6 s LEU 30 N -6.34 4.35 0.39 5.97 1.43 -1.26 -4.97 118.68 118.25 2ka6 s LEU 30 Ca -0.02 1.47 0.10 0.00 -1.03 0.00 0.00 54.13 54.65 2ka6 s LEU 30 Cb 0.11 -3.37 0.78 0.00 0.03 0.00 0.00 46.19 43.74 2ka6 s LEU 30 CO 0.50 -0.20 1.91 1.55 0.23 0.00 0.00 176.35 180.35 2ka6 h PRO 31 N 6.75 0.23 -0.02 1.29 0.13 -2.01 -3.10 132.00 135.28 2ka6 h PRO 31 Ca -0.41 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 2ka6 h PRO 31 Cb 1.21 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2ka6 h PRO 31 CO 0.75 0.38 -0.39 0.66 -0.23 0.00 0.00 178.00 179.16 2ka6 h SER 32 N 0.22 0.37 -0.72 1.44 4.64 -1.95 -3.33 113.55 114.22 2ka6 h SER 32 Ca 0.05 -0.74 0.16 0.00 -0.47 0.00 0.00 61.79 60.78 2ka6 h SER 32 Cb 0.37 -0.11 -0.11 0.00 -0.31 0.00 0.00 62.40 62.24 2ka6 h SER 32 CO 0.02 1.06 0.14 0.00 -0.87 0.00 0.00 176.83 177.19 2ka6 h GLN 34 N 0.23 0.78 0.17 0.00 4.20 -1.66 -2.02 115.11 116.82 2ka6 h GLN 34 Ca 0.41 -0.05 -0.28 0.00 0.06 0.00 0.00 58.65 58.79 2ka6 h GLN 34 Cb 0.70 -0.18 0.02 0.00 0.30 0.00 0.00 27.48 28.32 2ka6 h GLN 34 CO -0.53 0.51 -1.32 -0.22 -0.67 0.00 0.00 178.83 176.61 2ka6 h LYS 35 N 0.80 0.36 -0.64 1.46 3.64 -1.25 -3.29 116.57 117.65 2ka6 h LYS 35 Ca 0.52 -0.62 0.07 0.00 -1.27 0.00 0.00 60.65 59.35 2ka6 h LYS 35 Cb 0.68 0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 32.68 2ka6 h LYS 35 CO -0.34 1.30 0.33 0.52 -2.27 0.00 0.00 179.45 178.99 2ka6 h MET 36 N -0.14 0.59 -0.59 1.90 2.86 -0.52 0.29 114.93 119.32 2ka6 h MET 36 Ca -0.25 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 2ka6 h MET 36 Cb 1.89 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 33.39 2ka6 h MET 36 CO 0.16 0.39 0.31 0.87 1.06 0.00 0.00 176.91 179.69 2ka6 h LYS 37 N 0.60 0.83 -0.34 1.72 1.57 -1.53 -1.43 116.57 118.00 2ka6 h LYS 37 Ca 0.30 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 2ka6 h LYS 37 Cb 0.24 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2ka6 h LYS 37 CO -0.21 0.65 -0.06 0.00 -0.57 0.00 0.00 179.45 179.27 2ka6 h ARG 38 N 0.80 0.55 -0.04 3.15 3.08 -1.44 -0.61 114.38 119.87 2ka6 h ARG 38 Ca 0.20 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2ka6 h ARG 38 Cb 0.08 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 2ka6 h ARG 38 CO -0.03 0.62 -0.00 0.28 -1.07 0.00 0.00 179.97 179.77 2ka6 h VAL 39 N 0.52 1.26 0.58 2.04 2.07 -0.72 -0.30 116.25 121.71 2ka6 h VAL 39 Ca 0.10 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 2ka6 h VAL 39 Cb 0.42 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2ka6 h VAL 39 CO 0.02 0.22 -0.43 0.58 0.02 0.00 0.00 177.57 177.98 2ka6 h VAL 40 N -0.24 0.14 -0.83 2.57 2.07 -1.12 -2.23 116.25 116.61 2ka6 h VAL 40 Ca 0.01 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.71 2ka6 h VAL 40 Cb 0.35 0.14 -0.11 0.00 -1.52 0.00 0.00 31.29 30.15 2ka6 h VAL 40 CO 0.00 0.00 0.35 1.56 0.02 0.00 0.00 177.57 179.50 2ka6 h GLN 41 N -0.98 0.43 0.53 1.57 1.08 -1.13 0.17 115.11 116.78 2ka6 h GLN 41 Ca -0.07 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 2ka6 h GLN 41 Cb 0.82 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 2ka6 h GLN 41 CO 0.02 0.28 -0.38 1.25 -0.95 0.00 0.00 178.83 179.05 2ka6 h HIS 42 N 0.44 -1.02 -0.86 2.96 -0.00 -0.86 -3.07 115.15 112.75 2ka6 h HIS 42 Ca 0.48 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.88 2ka6 h HIS 42 Cb 0.82 0.37 -0.05 0.00 -0.00 0.00 0.00 27.41 28.56 2ka6 h HIS 42 CO -0.15 -0.56 0.57 1.15 -0.00 0.00 0.00 177.93 178.93 2ka6 h THR 43 N -0.89 1.17 0.00 6.26 2.02 -0.75 -0.25 112.91 120.47 2ka6 h THR 43 Ca -0.06 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2ka6 h THR 43 Cb 0.74 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2ka6 h THR 43 CO 0.03 0.20 0.09 0.11 0.37 0.00 0.00 175.52 176.32 2ka6 h LYS 44 N 1.10 0.00 0.00 6.66 1.57 -0.89 -2.94 116.57 122.07 2ka6 h LYS 44 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2ka6 h LYS 44 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2ka6 h LYS 44 CO -0.09 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.20 2ka6 n GLY 45 N -1.28 0.58 3.77 3.86 0.00 -0.80 -5.08 105.19 106.24 2ka6 n GLY 45 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.03 1.99 -0.04 0.00 4.76 -1.26 -4.70 118.16 118.87 2ka6 n LYS 47 Ca 0.05 -1.62 -0.03 0.00 -2.87 0.00 0.00 58.31 53.83 2ka6 n LYS 47 Cb 0.45 -1.20 -0.01 0.00 -1.84 0.00 0.00 35.03 32.43 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 0.37 0.26 -0.02 1.97 1.74 -1.26 -4.95 116.66 114.77 2ka6 n ARG 48 Ca 0.08 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 2ka6 n ARG 48 Cb 0.33 -1.25 -0.00 0.00 -1.02 0.00 0.00 32.46 30.52 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 -3.58 -0.04 0.07 5.56 2.85 -1.26 -2.11 118.16 119.64 2ka6 n LYS 49 Ca -0.04 0.03 0.18 0.00 -1.05 0.00 0.00 58.31 57.42 2ka6 n LYS 49 Cb 0.16 -0.05 0.69 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 -0.02 0.77 -0.00 0.58 1.35 -1.91 -0.18 112.91 113.50 2ka6 h THR 50 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2ka6 h THR 50 Cb 0.02 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.23 2ka6 h THR 50 CO 0.00 0.00 -0.01 0.59 -0.25 0.00 0.00 175.52 175.85 2ka6 n ASN 51 N -4.37 0.01 0.00 5.36 4.13 -1.26 -4.31 115.26 114.82 2ka6 n ASN 51 Ca 0.07 0.47 0.00 0.00 1.68 0.00 0.00 54.58 56.80 2ka6 n ASN 51 Cb 0.49 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 38.25 2ka6 n ASN 51 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ka6 n GLY 52 N 1.50 0.00 0.00 7.41 0.00 -0.72 -5.08 105.19 108.30 2ka6 n GLY 52 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 2.80 -0.56 3.66 -0.02 0.00 -0.16 -4.99 105.19 105.91 2ka6 n GLY 53 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 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 6.67 0.00 0.07 0.00 0.13 -2.00 -3.10 132.00 133.77 2ka6 h PRO 55 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2ka6 h PRO 55 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2ka6 h PRO 55 CO 0.89 0.40 -0.03 0.28 -0.23 0.00 0.00 178.00 179.31 2ka6 h VAL 56 N 0.00 0.16 -0.42 1.56 2.07 -1.99 -3.23 116.25 114.40 2ka6 h VAL 56 Ca -0.00 -1.04 0.08 0.00 0.82 0.00 0.00 66.70 66.56 2ka6 h VAL 56 Cb 1.15 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 2ka6 h VAL 56 CO 0.05 0.05 -0.10 0.00 0.02 0.00 0.00 177.57 177.59 2ka6 h LYS 58 N 0.00 0.00 -0.15 0.00 1.57 -1.71 -2.45 116.57 113.83 2ka6 h LYS 58 Ca 0.20 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 2ka6 h LYS 58 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 2ka6 h LYS 58 CO -0.43 0.00 -0.13 0.37 -0.57 0.00 0.00 179.45 178.69 2ka6 h GLN 59 N 0.00 0.35 -0.01 3.15 5.75 -1.11 -2.77 115.11 120.47 2ka6 h GLN 59 Ca 0.12 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 2ka6 h GLN 59 Cb 0.54 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.10 2ka6 h GLN 59 CO -0.00 0.72 0.00 -0.07 -2.65 0.00 0.00 178.83 176.83 2ka6 h LEU 60 N -0.02 0.01 -0.60 -2.39 4.07 -1.25 -2.56 115.31 112.57 2ka6 h LEU 60 Ca 0.03 -0.02 0.06 0.00 0.08 0.00 0.00 57.88 58.02 2ka6 h LEU 60 Cb 0.65 -0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.33 2ka6 h LEU 60 CO 0.03 0.03 0.31 0.40 -1.08 0.00 0.00 178.44 178.13 2ka6 h ILE 61 N -0.01 0.93 0.26 1.22 1.08 -1.55 0.14 117.51 119.58 2ka6 h ILE 61 Ca 0.00 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 2ka6 h ILE 61 Cb 0.02 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 34.08 2ka6 h ILE 61 CO -0.00 0.10 -0.13 0.00 -0.69 0.00 0.00 178.15 177.44 2ka6 h ALA 62 N 1.34 -0.35 -0.78 1.87 0.00 -1.41 0.14 119.26 120.06 2ka6 h ALA 62 Ca 0.28 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.19 2ka6 h ALA 62 Cb 0.21 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 2ka6 h ALA 62 CO -0.20 -0.68 0.43 1.25 0.00 0.00 0.00 179.25 180.05 2ka6 h LEU 63 N -0.38 0.59 -0.43 0.00 6.46 -1.02 -0.68 115.31 119.85 2ka6 h LEU 63 Ca -0.04 0.05 -0.14 0.00 -0.12 0.00 0.00 57.88 57.63 2ka6 h LEU 63 Cb 0.29 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 2ka6 h LEU 63 CO 0.06 0.33 -0.30 0.00 -0.62 0.00 0.00 178.44 177.91 2ka6 h TYR 66 N 0.57 0.94 0.07 0.00 3.20 -1.11 -1.06 116.97 119.58 2ka6 h TYR 66 Ca 0.17 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 2ka6 h TYR 66 Cb -0.04 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 37.95 2ka6 h TYR 66 CO -0.06 0.31 -0.04 1.25 -1.64 0.00 0.00 178.16 177.99 2ka6 h HIS 67 N 0.79 -0.09 -0.28 -3.82 2.76 -1.37 -3.37 115.15 109.78 2ka6 h HIS 67 Ca 0.47 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.72 2ka6 h HIS 67 Cb 0.56 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.54 2ka6 h HIS 67 CO -0.05 0.44 0.23 0.00 -1.30 0.00 0.00 177.93 177.26 2ka6 h ALA 68 N -0.28 2.12 -0.96 5.26 0.00 -0.38 -1.05 119.26 123.97 2ka6 h ALA 68 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ka6 h ALA 68 Cb 0.58 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2ka6 h ALA 68 CO 0.02 -0.37 0.63 0.87 0.00 0.00 0.00 179.25 180.40 2ka6 h LYS 69 N 0.00 1.25 0.03 0.00 1.57 -1.35 -3.18 116.57 114.89 2ka6 h LYS 69 Ca 0.13 -0.07 -0.31 0.00 -1.87 0.00 0.00 60.65 58.53 2ka6 h LYS 69 Cb 0.59 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 2ka6 h LYS 69 CO -0.00 0.82 -1.78 0.72 -0.57 0.00 0.00 179.45 178.65 2ka6 n HIS 70 N -4.43 1.09 -1.94 -1.35 8.25 -0.76 -4.97 115.22 111.11 2ka6 n HIS 70 Ca 0.11 0.34 -0.39 0.00 -0.26 0.00 0.00 57.72 57.53 2ka6 n HIS 70 Cb 0.03 -1.18 0.02 0.00 1.12 0.00 0.00 29.99 29.97 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 0.40 -2.08 0.00 6.02 -1.26 -4.91 117.38 115.05 2ka6 n GLN 72 Ca 0.07 -0.12 -0.32 0.00 -0.01 0.00 0.00 57.00 56.63 2ka6 n GLN 72 Cb 0.45 -0.53 -0.01 0.00 1.02 0.00 0.00 30.24 31.17 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 -0.09 3.69 0.00 -1.09 2.56 -1.26 -5.01 118.70 117.49 2ka6 s GLU 73 Ca 0.00 0.88 0.13 0.00 0.00 0.00 0.00 54.97 55.98 2ka6 s GLU 73 Cb 0.00 -2.09 0.00 0.00 2.00 0.00 0.00 34.13 34.04 2ka6 s GLU 73 CO 0.00 -0.49 0.75 0.27 -0.56 0.00 0.00 175.26 175.22 2ka6 n ASN 74 N -2.24 1.45 -0.11 -1.70 0.23 -1.26 -4.51 115.26 107.12 2ka6 n ASN 74 Ca 0.06 -1.23 0.05 0.00 -0.53 0.00 0.00 54.58 52.94 2ka6 n ASN 74 Cb 0.54 0.44 0.08 0.00 -2.08 0.00 0.00 39.78 38.75 2ka6 n ASN 74 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2ka6 n LYS 75 N -0.13 2.31 -1.62 -3.83 4.76 -1.26 -5.03 118.16 113.36 2ka6 n LYS 75 Ca 0.05 -2.03 -0.46 0.00 -2.87 0.00 0.00 58.31 53.01 2ka6 n LYS 75 Cb 0.27 -1.26 -0.02 0.00 -1.84 0.00 0.00 35.03 32.18 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 3.07 0.00 -6.55 0.00 0.13 -1.95 -3.45 132.00 123.25 2ka6 h PRO 77 Ca -0.43 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.17 2ka6 h PRO 77 Cb 1.32 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.48 2ka6 h PRO 77 CO 0.68 0.31 0.89 0.08 -0.23 0.00 0.00 178.00 179.72 2ka6 s VAL 78 N -3.83 2.85 0.41 1.56 1.01 -1.26 -4.84 120.40 116.30 2ka6 s VAL 78 Ca -0.01 0.54 0.13 0.00 0.00 0.00 0.00 61.98 62.64 2ka6 s VAL 78 Cb 0.12 -3.34 0.15 0.00 0.00 0.00 0.00 36.38 33.30 2ka6 s VAL 78 CO 0.67 0.03 1.92 1.55 0.00 0.00 0.00 175.10 179.27 2ka6 h PRO 79 N 7.25 0.02 0.00 2.72 0.13 -1.98 -3.21 132.00 136.93 2ka6 h PRO 79 Ca -0.42 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.54 2ka6 h PRO 79 Cb 1.20 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2ka6 h PRO 79 CO 0.91 0.27 -1.40 1.19 -0.23 0.00 0.00 178.00 178.74 2ka6 n PHE 80 N -4.23 1.00 -0.09 1.56 3.72 -1.26 -4.29 117.46 113.87 2ka6 n PHE 80 Ca -0.02 0.33 -0.07 0.00 -0.05 0.00 0.00 57.45 57.64 2ka6 n PHE 80 Cb 0.31 -1.09 -0.01 0.00 -0.94 0.00 0.00 39.48 37.74 2ka6 n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ka6 h LEU 82 N -0.23 0.25 -0.99 0.00 -0.00 -1.78 -0.03 115.31 112.54 2ka6 h LEU 82 Ca 0.16 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 2ka6 h LEU 82 Cb 0.49 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 41.05 2ka6 h LEU 82 CO -0.47 0.18 0.63 0.78 -0.00 0.00 0.00 178.44 179.56 2ka6 h ASN 83 N 0.31 1.15 0.07 -0.43 2.35 -1.59 -2.72 115.58 114.72 2ka6 h ASN 83 Ca 0.10 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2ka6 h ASN 83 Cb -0.01 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.07 2ka6 h ASN 83 CO -0.04 0.85 -0.03 0.40 -1.65 0.00 0.00 177.43 176.96 2ka6 h ILE 84 N 1.35 0.92 -0.83 2.81 2.04 -0.77 -3.33 117.51 119.70 2ka6 h ILE 84 Ca 0.36 -1.47 0.14 0.00 1.00 0.00 0.00 64.86 64.89 2ka6 h ILE 84 Cb -0.12 1.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 2ka6 h ILE 84 CO -0.07 0.28 0.54 0.07 0.00 0.00 0.00 178.15 178.97 2ka6 h LYS 85 N -0.94 0.58 0.00 2.37 2.10 -1.03 -0.18 116.57 119.47 2ka6 h LYS 85 Ca -0.01 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 2ka6 h LYS 85 Cb 0.54 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2ka6 h LYS 85 CO 0.02 0.38 -0.04 0.45 -2.00 0.00 0.00 179.45 178.26 2ka6 h HIS 86 N 0.60 0.00 0.09 0.07 3.86 -1.63 -0.48 115.15 117.66 2ka6 h HIS 86 Ca 0.41 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 59.29 2ka6 h HIS 86 Cb 0.72 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.17 2ka6 h HIS 86 CO -0.00 0.04 -1.79 1.17 0.86 0.00 0.00 177.93 178.21 2ka6 n LYS 87 N -3.20 0.70 0.07 2.45 4.81 -0.21 -4.36 118.16 118.43 2ka6 n LYS 87 Ca -0.00 0.35 0.02 0.00 -0.87 0.00 0.00 58.31 57.81 2ka6 n LYS 87 Cb 0.27 -1.72 0.38 0.00 0.02 0.00 0.00 35.03 33.97 2ka6 n LYS 87 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2ka6 h LEU 88 N -0.25 0.33 -2.06 3.14 4.07 -1.03 -3.05 115.31 116.47 2ka6 h LEU 88 Ca -0.41 -0.05 0.11 0.00 0.08 0.00 0.00 57.88 57.61 2ka6 h LEU 88 Cb 1.82 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 43.46 2ka6 h LEU 88 CO -0.00 0.42 0.34 0.08 -1.08 0.00 0.00 178.44 178.19 2ka6 h ARG 89 N 0.34 0.00 0.00 1.13 -0.00 -1.28 -1.98 114.38 112.59 2ka6 h ARG 89 Ca 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.05 2ka6 h ARG 89 Cb 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.26 2ka6 h ARG 89 CO 0.01 0.00 -0.01 1.96 -0.00 0.00 0.00 179.97 181.94 2ka6 h GLN 90 N 0.00 0.00 0.00 0.08 1.08 -1.78 -1.98 115.11 112.52 2ka6 h GLN 90 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2ka6 h GLN 90 Cb 0.85 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 2ka6 h GLN 90 CO -0.00 0.01 0.00 1.04 -0.95 0.00 0.00 178.83 178.92 2ka6 n GLN 91 N -3.27 0.18 0.00 1.46 6.02 -0.74 -5.20 117.38 115.83 2ka6 n GLN 91 Ca -0.03 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 2ka6 n GLN 91 Cb 0.10 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 29.54 2ka6 n GLN 91 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09