#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 0.19 4.33 -0.04 -1.26 -2.61 135.00 135.61 2ka6 n PRO 2 Ca 0.00 0.19 0.04 0.00 -0.04 0.00 0.00 63.50 63.69 2ka6 n PRO 2 Cb 0.00 -0.98 0.37 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.73 0.54 7.50 -2.07 -3.08 115.11 117.28 2ka6 h GLN 3 Ca 0.00 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.20 2ka6 h GLN 3 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.49 2ka6 h GLN 3 CO 0.00 0.38 0.48 0.93 -1.50 0.00 0.00 178.83 179.11 2ka6 h GLU 4 N 0.00 0.78 -0.73 1.46 5.08 -2.00 -2.73 114.58 116.44 2ka6 h GLU 4 Ca -0.00 -0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.44 2ka6 h GLU 4 Cb 0.73 -0.18 -0.09 0.00 0.50 0.00 0.00 28.75 29.71 2ka6 h GLU 4 CO 0.05 0.52 0.30 0.66 -1.00 0.00 0.00 179.01 179.54 2ka6 h SER 5 N 0.80 0.31 0.20 1.42 4.64 -1.40 0.39 113.55 119.91 2ka6 h SER 5 Ca 0.31 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.71 2ka6 h SER 5 Cb 0.19 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2ka6 h SER 5 CO -0.10 0.14 -0.10 0.03 -0.87 0.00 0.00 176.83 175.94 2ka6 h ARG 6 N 0.47 -0.26 -0.32 4.77 2.47 -1.68 -2.33 114.38 117.50 2ka6 h ARG 6 Ca 0.39 0.02 0.04 0.00 -1.26 0.00 0.00 59.98 59.17 2ka6 h ARG 6 Cb 0.55 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.88 2ka6 h ARG 6 CO -0.37 0.05 0.07 0.00 0.56 0.00 0.00 179.97 180.28 2ka6 h ARG 7 N -0.59 0.18 -0.19 0.04 3.08 -1.30 -0.66 114.38 114.94 2ka6 h ARG 7 Ca -0.03 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 2ka6 h ARG 7 Cb 0.43 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2ka6 h ARG 7 CO 0.05 0.12 -0.32 -0.07 -1.07 0.00 0.00 179.97 178.68 2ka6 h LEU 8 N 0.19 0.40 -0.34 3.04 3.38 -1.02 -2.17 115.31 118.79 2ka6 h LEU 8 Ca 0.15 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2ka6 h LEU 8 Cb 0.16 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2ka6 h LEU 8 CO -0.19 0.70 -0.10 -1.28 0.09 0.00 0.00 178.44 177.66 2ka6 h SER 9 N 0.34 0.67 -0.80 -0.43 0.87 -0.95 -2.86 113.55 110.39 2ka6 h SER 9 Ca 0.04 -0.37 0.07 0.00 -1.23 0.00 0.00 61.79 60.30 2ka6 h SER 9 Cb 0.73 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 62.45 2ka6 h SER 9 CO 0.06 0.89 0.48 0.40 -0.53 0.00 0.00 176.83 178.13 2ka6 h ILE 10 N 0.45 0.98 -0.53 2.23 2.04 -0.94 -1.40 117.51 120.35 2ka6 h ILE 10 Ca 0.08 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2ka6 h ILE 10 Cb 0.61 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2ka6 h ILE 10 CO 0.04 0.15 0.34 1.56 0.00 0.00 0.00 178.15 180.24 2ka6 h GLN 11 N 0.85 0.70 -0.65 2.37 1.08 -1.26 -0.42 115.11 117.77 2ka6 h GLN 11 Ca 0.37 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.45 2ka6 h GLN 11 Cb 0.24 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 2ka6 h GLN 11 CO -0.20 0.47 0.14 0.00 -0.95 0.00 0.00 178.83 178.29 2ka6 h ARG 12 N 0.72 1.06 -0.64 1.46 2.47 -1.04 -1.41 114.38 117.00 2ka6 h ARG 12 Ca 0.19 -0.27 -0.08 0.00 -1.26 0.00 0.00 59.98 58.57 2ka6 h ARG 12 Cb -0.07 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.09 2ka6 h ARG 12 CO -0.04 0.96 0.08 0.00 0.56 0.00 0.00 179.97 181.54 2ka6 h ILE 14 N 0.99 1.02 -0.96 0.00 2.04 -0.84 -0.34 117.51 119.43 2ka6 h ILE 14 Ca 0.19 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 66.02 2ka6 h ILE 14 Cb 0.46 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 2ka6 h ILE 14 CO 0.02 0.03 0.63 1.56 0.00 0.00 0.00 178.15 180.39 2ka6 h GLN 15 N 0.17 1.22 -0.49 2.37 1.08 -1.13 -0.39 115.11 117.94 2ka6 h GLN 15 Ca 0.05 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 2ka6 h GLN 15 Cb -0.01 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.13 2ka6 h GLN 15 CO -0.02 0.81 0.14 0.77 -0.95 0.00 0.00 178.83 179.57 2ka6 h SER 16 N 1.25 0.72 -0.42 1.46 0.02 -0.73 -0.36 113.55 115.49 2ka6 h SER 16 Ca 0.36 -0.22 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 2ka6 h SER 16 Cb -0.08 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 2ka6 h SER 16 CO -0.10 0.74 -0.26 0.25 -1.14 0.00 0.00 176.83 176.33 2ka6 h LEU 17 N 0.66 0.96 -0.51 5.07 5.85 -0.74 -0.98 115.31 125.60 2ka6 h LEU 17 Ca 0.16 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.46 2ka6 h LEU 17 Cb 0.29 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2ka6 h LEU 17 CO -0.00 1.17 0.34 0.58 -0.34 0.00 0.00 178.44 180.19 2ka6 h VAL 18 N 0.75 1.12 0.40 1.05 2.07 -0.98 -0.50 116.25 120.16 2ka6 h VAL 18 Ca 0.09 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2ka6 h VAL 18 Cb 0.84 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2ka6 h VAL 18 CO 0.07 0.13 -0.22 -0.74 0.02 0.00 0.00 177.57 176.83 2ka6 h HIS 19 N 0.69 -0.58 -0.63 1.57 -0.00 -0.98 -3.02 115.15 112.20 2ka6 h HIS 19 Ca 0.19 -0.01 0.12 0.00 -0.00 0.00 0.00 60.37 60.68 2ka6 h HIS 19 Cb -0.07 0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.50 2ka6 h HIS 19 CO -0.04 -0.35 0.43 0.00 -0.00 0.00 0.00 177.93 177.97 2ka6 h ALA 20 N 0.01 2.14 0.00 5.26 0.00 -0.87 0.11 119.26 125.91 2ka6 h ALA 20 Ca -0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2ka6 h ALA 20 Cb 0.47 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2ka6 h ALA 20 CO 0.06 -0.30 -0.15 0.00 0.00 0.00 0.00 179.25 178.87 2ka6 n GLN 22 N -3.50 0.74 -1.45 0.00 6.02 -0.44 -4.92 117.38 113.83 2ka6 n GLN 22 Ca -0.01 0.05 -0.31 0.00 -0.01 0.00 0.00 57.00 56.71 2ka6 n GLN 22 Cb 0.30 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.13 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 -3.20 1.99 -1.65 0.00 5.12 -1.26 -4.88 116.66 112.79 2ka6 n ARG 24 Ca 0.09 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.57 2ka6 n ARG 24 Cb 0.53 -0.19 -0.03 0.00 -1.16 0.00 0.00 32.46 31.61 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 -0.22 3.90 0.28 0.55 3.02 -1.26 -4.89 115.26 116.65 2ka6 n ASN 25 Ca 0.00 0.78 0.15 0.00 -0.03 0.00 0.00 54.58 55.49 2ka6 n ASN 25 Cb 0.00 -1.51 0.85 0.00 -0.61 0.00 0.00 39.78 38.51 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 11.22 1.26 -0.76 5.41 0.00 -1.98 -3.15 119.26 131.26 2ka6 h ALA 26 Ca -0.48 -0.06 -0.39 0.00 0.00 0.00 0.00 54.91 53.98 2ka6 h ALA 26 Cb 1.25 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.61 2ka6 h ALA 26 CO 0.95 0.08 -1.00 0.09 0.00 0.00 0.00 179.25 179.37 2ka6 n ASN 27 N -3.54 2.90 -4.51 0.00 5.03 -1.26 -4.85 115.26 109.02 2ka6 n ASN 27 Ca -0.02 -2.85 -0.40 0.00 0.87 0.00 0.00 54.58 52.18 2ka6 n ASN 27 Cb 0.18 -0.45 0.02 0.00 -1.02 0.00 0.00 39.78 38.52 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 0.77 0.00 -3.36 0.00 4.64 -2.00 -3.41 113.55 110.19 2ka6 h SER 29 Ca -0.44 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.33 2ka6 h SER 29 Cb 1.38 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.43 2ka6 h SER 29 CO 0.51 0.00 0.27 -0.76 -0.87 0.00 0.00 176.83 175.99 2ka6 s LEU 30 N -5.10 4.30 0.23 5.97 1.43 -1.26 -4.98 118.68 119.28 2ka6 s LEU 30 Ca -0.02 1.37 -0.06 0.00 -1.03 0.00 0.00 54.13 54.39 2ka6 s LEU 30 Cb 0.09 -3.31 0.22 0.00 0.03 0.00 0.00 46.19 43.22 2ka6 s LEU 30 CO 0.31 -0.24 1.80 1.55 0.23 0.00 0.00 176.35 180.00 2ka6 h PRO 31 N 6.90 1.13 -0.25 1.29 0.13 -2.00 -3.09 132.00 136.10 2ka6 h PRO 31 Ca -0.38 -0.20 -0.15 0.00 -0.87 0.00 0.00 66.00 64.40 2ka6 h PRO 31 Cb 1.19 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 2ka6 h PRO 31 CO 0.77 0.92 -0.41 0.77 -0.23 0.00 0.00 178.00 179.82 2ka6 h SER 32 N 1.10 0.80 -0.63 1.44 0.02 -1.94 -3.29 113.55 111.05 2ka6 h SER 32 Ca 0.25 -0.53 0.13 0.00 -0.84 0.00 0.00 61.79 60.81 2ka6 h SER 32 Cb 0.21 -0.23 -0.10 0.00 0.14 0.00 0.00 62.40 62.43 2ka6 h SER 32 CO -0.02 1.17 0.06 0.00 -1.14 0.00 0.00 176.83 176.90 2ka6 h GLN 34 N 0.17 0.79 0.09 0.00 4.20 -1.62 -1.85 115.11 116.89 2ka6 h GLN 34 Ca 0.33 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.85 2ka6 h GLN 34 Cb 0.53 -0.18 0.02 0.00 0.30 0.00 0.00 27.48 28.15 2ka6 h GLN 34 CO -0.49 0.52 -0.63 -0.22 -0.67 0.00 0.00 178.83 177.34 2ka6 h LYS 35 N 0.81 0.27 -0.85 1.46 3.64 -1.16 -3.23 116.57 117.51 2ka6 h LYS 35 Ca 0.37 -0.41 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 2ka6 h LYS 35 Cb 0.36 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.26 2ka6 h LYS 35 CO -0.14 1.16 0.51 0.52 -2.27 0.00 0.00 179.45 179.23 2ka6 h MET 36 N -0.41 0.86 -0.41 1.90 2.86 -0.50 -0.08 114.93 119.15 2ka6 h MET 36 Ca -0.10 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 2ka6 h MET 36 Cb 1.45 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 2ka6 h MET 36 CO 0.12 0.57 0.24 0.87 1.06 0.00 0.00 176.91 179.76 2ka6 h LYS 37 N 0.88 0.56 -0.44 1.72 1.57 -1.46 -0.93 116.57 118.48 2ka6 h LYS 37 Ca 0.40 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 59.04 2ka6 h LYS 37 Cb 0.29 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2ka6 h LYS 37 CO -0.22 0.44 -0.06 0.00 -0.57 0.00 0.00 179.45 179.04 2ka6 h ARG 38 N 0.53 0.76 0.31 3.15 3.08 -1.36 -1.27 114.38 119.58 2ka6 h ARG 38 Ca 0.15 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2ka6 h ARG 38 Cb 0.03 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2ka6 h ARG 38 CO -0.03 0.81 -0.15 0.28 -1.07 0.00 0.00 179.97 179.81 2ka6 h VAL 39 N 0.70 0.72 -0.57 2.04 2.07 -0.82 -0.70 116.25 119.68 2ka6 h VAL 39 Ca 0.13 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2ka6 h VAL 39 Cb 0.52 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2ka6 h VAL 39 CO 0.03 0.08 0.26 1.62 0.02 0.00 0.00 177.57 179.58 2ka6 h VAL 40 N -0.62 1.21 -0.70 2.57 3.04 -1.12 -2.02 116.25 118.61 2ka6 h VAL 40 Ca -0.04 -0.62 0.06 0.00 -1.01 0.00 0.00 66.70 65.08 2ka6 h VAL 40 Cb 0.45 0.56 -0.06 0.00 -2.01 0.00 0.00 31.29 30.23 2ka6 h VAL 40 CO 0.07 0.25 0.40 1.56 -1.01 0.00 0.00 177.57 178.84 2ka6 h GLN 41 N 0.78 0.72 0.47 4.17 1.08 -1.24 0.07 115.11 121.16 2ka6 h GLN 41 Ca 0.20 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 2ka6 h GLN 41 Cb 0.15 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2ka6 h GLN 41 CO -0.02 0.48 -0.34 1.25 -0.95 0.00 0.00 178.83 179.25 2ka6 h HIS 42 N 0.74 -0.91 -0.93 2.96 -0.00 -0.79 -3.07 115.15 113.15 2ka6 h HIS 42 Ca 0.31 -0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.71 2ka6 h HIS 42 Cb 0.17 0.34 -0.05 0.00 -0.00 0.00 0.00 27.41 27.87 2ka6 h HIS 42 CO -0.07 -0.50 0.61 1.15 -0.00 0.00 0.00 177.93 179.12 2ka6 h THR 43 N -0.79 1.16 0.00 6.26 2.02 -1.00 -0.09 112.91 120.47 2ka6 h THR 43 Ca -0.05 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.73 2ka6 h THR 43 Cb 0.67 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2ka6 h THR 43 CO 0.01 0.21 0.02 0.29 0.37 0.00 0.00 175.52 176.43 2ka6 n LYS 44 N -4.44 0.13 0.00 6.66 5.02 -0.02 -2.79 118.16 122.72 2ka6 n LYS 44 Ca 0.12 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 2ka6 n LYS 44 Cb 0.10 -1.95 0.00 0.00 -0.02 0.00 0.00 35.03 33.16 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 0.27 3.77 0.72 0.00 -0.68 -5.08 105.19 102.89 2ka6 n GLY 45 Ca -0.01 0.00 -0.32 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 -2.85 0.92 -0.05 0.00 4.76 -1.26 -4.81 118.16 114.87 2ka6 n LYS 47 Ca 0.10 -0.97 -0.05 0.00 -2.87 0.00 0.00 58.31 54.51 2ka6 n LYS 47 Cb 0.52 -0.99 -0.02 0.00 -1.84 0.00 0.00 35.03 32.70 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 -0.24 0.33 -0.20 1.97 1.74 -1.26 -4.96 116.66 114.04 2ka6 n ARG 48 Ca 0.00 0.23 0.03 0.00 -0.77 0.00 0.00 57.85 57.34 2ka6 n ARG 48 Cb 0.12 -1.20 -0.01 0.00 -1.02 0.00 0.00 32.46 30.36 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 -3.80 -0.40 0.28 5.56 0.00 -1.26 -2.02 118.16 116.52 2ka6 n LYS 49 Ca -0.08 0.26 0.13 0.00 -0.00 0.00 0.00 58.31 58.62 2ka6 n LYS 49 Cb 0.29 -0.49 0.79 0.00 -0.00 0.00 0.00 35.03 35.61 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 -0.18 0.65 0.00 0.58 1.35 -1.90 -0.12 112.91 113.28 2ka6 h THR 50 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2ka6 h THR 50 Cb 0.18 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2ka6 h THR 50 CO 0.00 0.06 0.00 -3.20 -0.25 0.00 0.00 175.52 172.13 2ka6 n ASN 51 N -3.89 0.02 0.00 5.36 4.05 -1.26 -4.11 115.26 115.43 2ka6 n ASN 51 Ca -0.03 0.50 0.00 0.00 0.45 0.00 0.00 54.58 55.51 2ka6 n ASN 51 Cb 0.15 -0.51 0.00 0.00 1.23 0.00 0.00 39.78 40.65 2ka6 n ASN 51 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2ka6 n GLY 52 N 0.18 0.00 0.00 8.20 0.00 -0.85 -5.08 105.19 107.64 2ka6 n GLY 52 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.89 3.65 -0.02 0.00 -0.13 -5.01 105.19 104.59 2ka6 n GLY 53 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 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 5.89 0.00 0.07 0.00 0.13 -1.99 -3.01 132.00 133.08 2ka6 h PRO 55 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2ka6 h PRO 55 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2ka6 h PRO 55 CO 0.87 0.73 -0.03 0.28 -0.23 0.00 0.00 178.00 179.61 2ka6 h VAL 56 N 0.00 1.03 -0.18 1.56 2.07 -1.99 -3.02 116.25 115.72 2ka6 h VAL 56 Ca -0.01 -1.52 0.04 0.00 0.82 0.00 0.00 66.70 66.04 2ka6 h VAL 56 Cb 1.42 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 32.99 2ka6 h VAL 56 CO 0.09 0.31 -0.09 0.00 0.02 0.00 0.00 177.57 177.90 2ka6 h LYS 58 N -0.08 0.00 0.26 0.00 1.57 -1.65 -1.64 116.57 115.02 2ka6 h LYS 58 Ca 0.10 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2ka6 h LYS 58 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2ka6 h LYS 58 CO -0.23 0.00 -0.12 0.37 -0.57 0.00 0.00 179.45 178.90 2ka6 h GLN 59 N 0.00 -0.33 -0.05 3.15 5.75 -1.12 -1.68 115.11 120.82 2ka6 h GLN 59 Ca 0.20 0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.65 2ka6 h GLN 59 Cb 0.83 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.44 2ka6 h GLN 59 CO -0.00 0.02 -0.32 1.37 -2.65 0.00 0.00 178.83 177.25 2ka6 h LEU 60 N -0.75 0.09 -0.68 -2.39 -0.00 -1.39 -2.93 115.31 107.25 2ka6 h LEU 60 Ca -0.04 -0.03 -0.06 0.00 -0.00 0.00 0.00 57.88 57.75 2ka6 h LEU 60 Cb 0.50 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.11 2ka6 h LEU 60 CO 0.06 0.41 0.19 0.40 -0.00 0.00 0.00 178.44 179.50 2ka6 h ILE 61 N 0.08 1.26 0.01 0.15 1.08 -1.25 0.25 117.51 119.09 2ka6 h ILE 61 Ca 0.01 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.56 2ka6 h ILE 61 Cb 0.61 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.91 2ka6 h ILE 61 CO 0.04 0.35 -0.03 0.00 -0.69 0.00 0.00 178.15 177.83 2ka6 h ALA 62 N 1.08 -0.04 -0.55 1.87 0.00 -1.20 0.19 119.26 120.62 2ka6 h ALA 62 Ca 0.22 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.20 2ka6 h ALA 62 Cb 0.34 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 2ka6 h ALA 62 CO -0.00 -0.53 0.21 1.25 0.00 0.00 0.00 179.25 180.18 2ka6 h LEU 63 N -0.05 0.23 -0.49 0.00 6.46 -1.30 -1.35 115.31 118.81 2ka6 h LEU 63 Ca 0.01 0.06 -0.16 0.00 -0.12 0.00 0.00 57.88 57.67 2ka6 h LEU 63 Cb 0.06 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 2ka6 h LEU 63 CO -0.02 0.15 -0.54 0.00 -0.62 0.00 0.00 178.44 177.41 2ka6 h TYR 66 N 1.03 0.82 0.43 0.00 3.20 -1.23 -1.26 116.97 119.96 2ka6 h TYR 66 Ca 0.25 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 2ka6 h TYR 66 Cb 0.17 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.17 2ka6 h TYR 66 CO 0.01 0.50 -0.21 1.25 -1.64 0.00 0.00 178.16 178.07 2ka6 h HIS 67 N 0.87 -0.54 -0.30 -3.82 2.76 -1.26 -3.31 115.15 109.55 2ka6 h HIS 67 Ca 0.25 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.50 2ka6 h HIS 67 Cb -0.06 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 2ka6 h HIS 67 CO -0.03 -0.23 0.25 0.00 -1.30 0.00 0.00 177.93 176.61 2ka6 h ALA 68 N -0.76 2.15 -0.75 5.26 0.00 -0.68 -0.76 119.26 123.72 2ka6 h ALA 68 Ca -0.06 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2ka6 h ALA 68 Cb 0.56 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2ka6 h ALA 68 CO 0.10 -0.40 0.47 0.87 0.00 0.00 0.00 179.25 180.29 2ka6 h LYS 69 N 0.00 0.89 0.02 0.00 1.57 -1.31 -3.16 116.57 114.57 2ka6 h LYS 69 Ca 0.14 -0.05 -0.30 0.00 -1.87 0.00 0.00 60.65 58.57 2ka6 h LYS 69 Cb 0.63 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 2ka6 h LYS 69 CO -0.00 0.59 -1.74 0.72 -0.57 0.00 0.00 179.45 178.45 2ka6 n HIS 70 N -4.64 1.04 -1.78 -1.35 8.25 -0.69 -4.97 115.22 111.08 2ka6 n HIS 70 Ca 0.09 0.35 -0.39 0.00 -0.26 0.00 0.00 57.72 57.51 2ka6 n HIS 70 Cb 0.10 -1.19 0.03 0.00 1.12 0.00 0.00 29.99 30.06 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 -0.80 -0.03 -2.32 0.00 6.02 -1.26 -4.92 117.38 114.06 2ka6 n GLN 72 Ca 0.09 -0.31 -0.32 0.00 -0.01 0.00 0.00 57.00 56.45 2ka6 n GLN 72 Cb 0.44 -0.66 -0.03 0.00 1.02 0.00 0.00 30.24 31.02 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 -0.07 3.87 0.00 -1.09 2.56 -1.26 -5.02 118.70 117.69 2ka6 s GLU 73 Ca 0.00 0.88 0.07 0.00 0.00 0.00 0.00 54.97 55.92 2ka6 s GLU 73 Cb 0.00 -2.14 0.06 0.00 2.00 0.00 0.00 34.13 34.05 2ka6 s GLU 73 CO 0.00 -0.31 0.73 0.27 -0.56 0.00 0.00 175.26 175.39 2ka6 n ASN 74 N -1.80 1.60 -0.15 -1.70 6.94 -1.26 -4.59 115.26 114.31 2ka6 n ASN 74 Ca 0.06 -1.31 0.06 0.00 -0.02 0.00 0.00 54.58 53.37 2ka6 n ASN 74 Cb 0.54 -0.00 0.08 0.00 -2.36 0.00 0.00 39.78 38.04 2ka6 n ASN 74 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2ka6 n LYS 75 N 0.38 1.17 -1.64 -3.83 4.01 -1.26 -5.05 118.16 111.94 2ka6 n LYS 75 Ca 0.04 -1.99 -0.45 0.00 -0.51 0.00 0.00 58.31 55.40 2ka6 n LYS 75 Cb 0.18 -1.17 -0.02 0.00 -0.51 0.00 0.00 35.03 33.51 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 2.95 0.00 -6.33 0.00 0.13 -1.96 -3.43 132.00 123.35 2ka6 h PRO 77 Ca -0.43 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.15 2ka6 h PRO 77 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2ka6 h PRO 77 CO 0.67 0.19 0.89 0.08 -0.23 0.00 0.00 178.00 179.60 2ka6 s VAL 78 N -3.92 3.72 0.37 1.56 1.01 -1.26 -4.83 120.40 117.06 2ka6 s VAL 78 Ca -0.01 1.05 0.10 0.00 0.00 0.00 0.00 61.98 63.12 2ka6 s VAL 78 Cb 0.12 -3.68 0.13 0.00 0.00 0.00 0.00 36.38 32.95 2ka6 s VAL 78 CO 0.62 -0.03 1.87 1.55 0.00 0.00 0.00 175.10 179.11 2ka6 h PRO 79 N 8.18 0.19 0.00 2.72 0.13 -1.97 -3.09 132.00 138.16 2ka6 h PRO 79 Ca -0.37 -0.05 -0.17 0.00 -0.87 0.00 0.00 66.00 64.54 2ka6 h PRO 79 Cb 1.17 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 2ka6 h PRO 79 CO 0.92 0.40 -0.93 0.74 -0.23 0.00 0.00 178.00 178.90 2ka6 h PHE 80 N 0.17 0.00 -0.23 1.56 0.04 -1.96 -3.36 116.94 113.17 2ka6 h PHE 80 Ca 0.03 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.86 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 0.01 0.74 -0.28 0.00 -0.60 0.00 0.00 178.31 178.18 2ka6 h LEU 82 N -0.30 0.27 -0.69 0.00 -0.00 -1.74 0.11 115.31 112.96 2ka6 h LEU 82 Ca 0.13 -0.10 0.04 0.00 -0.00 0.00 0.00 57.88 57.95 2ka6 h LEU 82 Cb 0.50 -0.07 -0.05 0.00 -0.00 0.00 0.00 40.66 41.04 2ka6 h LEU 82 CO -0.40 0.29 0.42 0.78 -0.00 0.00 0.00 178.44 179.53 2ka6 h ASN 83 N 0.23 0.67 0.03 -0.43 2.35 -1.61 -1.07 115.58 115.75 2ka6 h ASN 83 Ca 0.08 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2ka6 h ASN 83 Cb 0.08 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2ka6 h ASN 83 CO -0.01 0.45 -0.02 0.40 -1.65 0.00 0.00 177.43 176.60 2ka6 h ILE 84 N 0.80 1.31 -0.56 2.81 2.04 -0.77 -3.18 117.51 119.95 2ka6 h ILE 84 Ca 0.29 -1.13 0.11 0.00 1.00 0.00 0.00 64.86 65.13 2ka6 h ILE 84 Cb 0.08 2.05 -0.09 0.00 -0.74 0.00 0.00 36.82 38.12 2ka6 h ILE 84 CO -0.14 0.29 0.01 0.50 0.00 0.00 0.00 178.15 178.81 2ka6 h LYS 85 N -0.55 0.12 -0.81 2.37 3.64 -0.58 0.13 116.57 120.90 2ka6 h LYS 85 Ca -0.00 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 2ka6 h LYS 85 Cb 0.50 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 2ka6 h LYS 85 CO 0.01 0.08 0.53 0.45 -2.27 0.00 0.00 179.45 178.25 2ka6 h HIS 86 N 0.13 0.88 0.20 1.91 3.86 -1.28 -0.91 115.15 119.94 2ka6 h HIS 86 Ca 0.29 0.02 -0.27 0.00 -1.16 0.00 0.00 60.37 59.25 2ka6 h HIS 86 Cb 0.45 -0.29 0.03 0.00 1.06 0.00 0.00 27.41 28.66 2ka6 h HIS 86 CO -0.33 0.46 -1.17 0.87 0.86 0.00 0.00 177.93 178.61 2ka6 h LYS 87 N 0.86 0.43 -0.25 2.45 1.57 -1.15 -3.33 116.57 117.15 2ka6 h LYS 87 Ca 0.35 -0.74 -0.05 0.00 -1.87 0.00 0.00 60.65 58.34 2ka6 h LYS 87 Cb 0.26 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2ka6 h LYS 87 CO -0.13 1.35 -0.03 -0.07 -0.57 0.00 0.00 179.45 180.01 2ka6 h LEU 88 N -0.09 0.46 -1.52 2.94 4.07 -0.61 -0.85 115.31 119.72 2ka6 h LEU 88 Ca -0.20 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.42 2ka6 h LEU 88 Cb 1.93 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 43.54 2ka6 h LEU 88 CO 0.22 0.69 0.00 0.03 -1.08 0.00 0.00 178.44 178.30 2ka6 h ARG 89 N 0.22 0.00 0.00 1.13 2.47 -1.34 -2.86 114.38 114.01 2ka6 h ARG 89 Ca 0.07 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.70 2ka6 h ARG 89 Cb 0.47 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 28.61 2ka6 h ARG 89 CO 0.02 0.00 -0.70 1.04 0.56 0.00 0.00 179.97 180.89 2ka6 n GLN 90 N -2.54 0.60 -1.70 0.04 6.02 -1.20 -5.11 117.38 113.50 2ka6 n GLN 90 Ca -0.00 -2.31 -0.43 0.00 -0.01 0.00 0.00 57.00 54.25 2ka6 n GLN 90 Cb 0.14 -0.70 -0.01 0.00 1.02 0.00 0.00 30.24 30.69 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 -0.24 2.13 0.00 -1.09 -0.00 -0.33 -4.98 117.38 112.87 2ka6 n GLN 91 Ca 0.10 0.75 0.00 0.00 -0.00 0.00 0.00 57.00 57.85 2ka6 n GLN 91 Cb 0.90 -2.34 0.00 0.00 -0.00 0.00 0.00 30.24 28.80 2ka6 n GLN 91 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10