#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 -0.66 0.00 1.43 0.13 -2.07 -3.23 132.00 127.60 2ka6 h PRO 2 Ca 0.00 0.05 -0.23 0.00 -0.87 0.00 0.00 66.00 64.94 2ka6 h PRO 2 Cb 0.00 0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.24 2ka6 h PRO 2 CO 0.00 -0.44 -1.56 1.04 -0.23 0.00 0.00 178.00 176.81 2ka6 n GLN 3 N -4.79 0.63 -0.34 0.86 6.02 -1.26 -4.33 117.38 114.16 2ka6 n GLN 3 Ca -0.09 0.27 0.08 0.00 -0.01 0.00 0.00 57.00 57.26 2ka6 n GLN 3 Cb 0.27 -1.81 0.27 0.00 1.02 0.00 0.00 30.24 30.00 2ka6 n GLN 3 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2ka6 h GLU 4 N 0.00 0.90 -0.62 -1.09 5.08 -2.00 -1.73 114.58 115.13 2ka6 h GLU 4 Ca -0.23 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.15 2ka6 h GLU 4 Cb 1.81 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 30.80 2ka6 h GLU 4 CO 0.06 0.59 0.29 0.66 -1.00 0.00 0.00 179.01 179.62 2ka6 h SER 5 N 0.92 0.38 0.22 1.42 4.64 -1.75 -0.05 113.55 119.33 2ka6 h SER 5 Ca 0.49 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.85 2ka6 h SER 5 Cb 0.55 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2ka6 h SER 5 CO -0.26 0.24 -0.10 0.03 -0.87 0.00 0.00 176.83 175.87 2ka6 h ARG 6 N 0.53 -0.28 -0.32 4.77 3.08 -1.63 -2.13 114.38 118.41 2ka6 h ARG 6 Ca 0.29 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.43 2ka6 h ARG 6 Cb 0.28 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.32 2ka6 h ARG 6 CO -0.23 0.02 -0.13 0.00 -1.07 0.00 0.00 179.97 178.56 2ka6 h ARG 7 N -0.59 -0.07 -0.56 0.04 3.08 -1.06 -0.33 114.38 114.89 2ka6 h ARG 7 Ca -0.03 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 2ka6 h ARG 7 Cb 0.43 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2ka6 h ARG 7 CO 0.05 -0.04 0.04 -0.07 -1.07 0.00 0.00 179.97 178.87 2ka6 h LEU 8 N -0.07 0.93 -0.54 3.04 3.38 -1.08 -1.94 115.31 119.03 2ka6 h LEU 8 Ca 0.16 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2ka6 h LEU 8 Cb 0.31 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2ka6 h LEU 8 CO -0.37 0.99 0.30 -1.28 0.09 0.00 0.00 178.44 178.17 2ka6 h SER 9 N 0.85 0.68 -0.58 -0.43 0.87 -0.91 -1.73 113.55 112.30 2ka6 h SER 9 Ca 0.16 -0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.67 2ka6 h SER 9 Cb 0.49 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 2ka6 h SER 9 CO 0.02 0.58 0.34 0.40 -0.53 0.00 0.00 176.83 177.64 2ka6 h ILE 10 N 0.73 1.03 -0.87 2.23 2.04 -0.92 -1.87 117.51 119.88 2ka6 h ILE 10 Ca 0.19 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2ka6 h ILE 10 Cb 0.05 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 2ka6 h ILE 10 CO -0.03 0.12 0.55 1.56 0.00 0.00 0.00 178.15 180.35 2ka6 h GLN 11 N 0.65 1.16 -0.68 2.37 1.08 -0.98 -0.53 115.11 118.18 2ka6 h GLN 11 Ca 0.24 -0.08 -0.05 0.00 -1.45 0.00 0.00 58.65 57.31 2ka6 h GLN 11 Cb 0.08 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 27.22 2ka6 h GLN 11 CO -0.13 0.79 0.24 0.00 -0.95 0.00 0.00 178.83 178.78 2ka6 h ARG 12 N 1.19 1.02 -0.53 1.46 2.47 -0.56 -0.13 114.38 119.31 2ka6 h ARG 12 Ca 0.32 -0.19 -0.06 0.00 -1.26 0.00 0.00 59.98 58.79 2ka6 h ARG 12 Cb -0.10 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.03 2ka6 h ARG 12 CO -0.06 0.85 0.11 0.00 0.56 0.00 0.00 179.97 181.43 2ka6 h ILE 14 N 0.75 1.06 -0.74 0.00 2.04 -0.60 0.06 117.51 120.09 2ka6 h ILE 14 Ca 0.16 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.84 2ka6 h ILE 14 Cb 0.37 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 2ka6 h ILE 14 CO 0.01 0.12 0.47 1.56 0.00 0.00 0.00 178.15 180.30 2ka6 h GLN 15 N 0.64 0.88 -0.72 2.37 4.20 -0.84 0.05 115.11 121.70 2ka6 h GLN 15 Ca 0.21 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 2ka6 h GLN 15 Cb 0.02 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 2ka6 h GLN 15 CO -0.09 0.58 0.18 0.77 -0.67 0.00 0.00 178.83 179.60 2ka6 h SER 16 N 0.91 1.08 -0.36 1.46 0.02 -0.63 -0.26 113.55 115.78 2ka6 h SER 16 Ca 0.30 -0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 2ka6 h SER 16 Cb 0.02 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 2ka6 h SER 16 CO -0.11 1.03 -0.13 0.25 -1.14 0.00 0.00 176.83 176.74 2ka6 h LEU 17 N 1.08 0.73 -0.58 5.07 5.85 -0.63 -1.02 115.31 125.81 2ka6 h LEU 17 Ca 0.23 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.59 2ka6 h LEU 17 Cb 0.37 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 2ka6 h LEU 17 CO 0.00 0.95 0.36 0.58 -0.34 0.00 0.00 178.44 179.99 2ka6 h VAL 18 N 0.51 1.07 0.39 1.05 2.07 -0.82 0.00 116.25 120.52 2ka6 h VAL 18 Ca 0.09 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2ka6 h VAL 18 Cb 0.65 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2ka6 h VAL 18 CO 0.04 0.13 -0.24 -0.74 0.02 0.00 0.00 177.57 176.79 2ka6 h HIS 19 N 0.70 -0.62 -0.66 1.57 -0.00 -0.95 -2.97 115.15 112.23 2ka6 h HIS 19 Ca 0.23 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.69 2ka6 h HIS 19 Cb 0.01 0.22 -0.04 0.00 -0.00 0.00 0.00 27.41 27.60 2ka6 h HIS 19 CO -0.06 -0.37 0.44 0.00 -0.00 0.00 0.00 177.93 177.94 2ka6 h ALA 20 N -0.02 1.94 0.00 5.26 0.00 -0.82 0.73 119.26 126.35 2ka6 h ALA 20 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ka6 h ALA 20 Cb 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2ka6 h ALA 20 CO 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.22 2ka6 n GLN 22 N -1.92 1.47 -1.04 0.00 6.02 -0.41 -4.89 117.38 116.62 2ka6 n GLN 22 Ca 0.02 -0.02 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 2ka6 n GLN 22 Cb 0.17 -1.08 0.15 0.00 1.02 0.00 0.00 30.24 30.50 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 -3.99 3.09 -1.86 0.00 1.74 -1.26 -4.98 116.66 109.40 2ka6 n ARG 24 Ca 0.08 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.74 2ka6 n ARG 24 Cb 0.54 -0.39 -0.03 0.00 -1.02 0.00 0.00 32.46 31.57 2ka6 n ARG 24 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2ka6 s ASN 25 N -0.44 6.56 0.53 0.55 0.01 -1.26 -4.90 114.94 115.99 2ka6 s ASN 25 Ca 0.00 2.40 0.22 0.00 -0.71 0.00 0.00 52.86 54.77 2ka6 s ASN 25 Cb 0.00 -2.53 1.44 0.00 0.41 0.00 0.00 41.25 40.57 2ka6 s ASN 25 CO 0.00 -1.00 2.15 0.00 -1.51 0.00 0.00 177.10 176.74 2ka6 h ALA 26 N 10.07 1.69 -1.75 0.60 0.00 -2.02 -3.24 119.26 124.62 2ka6 h ALA 26 Ca -0.43 -0.04 -0.45 0.00 0.00 0.00 0.00 54.91 53.98 2ka6 h ALA 26 Cb 1.20 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 18.59 2ka6 h ALA 26 CO 0.95 0.06 -1.17 0.09 0.00 0.00 0.00 179.25 179.18 2ka6 n ASN 27 N -4.14 0.81 -4.49 0.00 3.02 -1.26 -4.97 115.26 104.23 2ka6 n ASN 27 Ca -0.03 -2.98 -0.38 0.00 -0.03 0.00 0.00 54.58 51.16 2ka6 n ASN 27 Cb 0.13 -0.51 0.04 0.00 -0.61 0.00 0.00 39.78 38.83 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 0.30 0.00 -3.33 0.00 4.64 -2.01 -3.42 113.55 109.74 2ka6 h SER 29 Ca -0.46 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.30 2ka6 h SER 29 Cb 1.40 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.43 2ka6 h SER 29 CO 0.48 0.00 0.35 -0.76 -0.87 0.00 0.00 176.83 176.03 2ka6 s LEU 30 N -5.07 4.25 0.36 5.97 1.43 -1.26 -4.96 118.68 119.40 2ka6 s LEU 30 Ca 0.00 1.32 0.08 0.00 -1.03 0.00 0.00 54.13 54.50 2ka6 s LEU 30 Cb 0.09 -3.31 0.70 0.00 0.03 0.00 0.00 46.19 43.70 2ka6 s LEU 30 CO 0.36 -0.32 1.87 1.55 0.23 0.00 0.00 176.35 180.04 2ka6 h PRO 31 N 7.08 0.28 0.15 1.29 0.13 -2.01 -2.89 132.00 136.04 2ka6 h PRO 31 Ca -0.34 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 2ka6 h PRO 31 Cb 1.16 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2ka6 h PRO 31 CO 0.81 0.44 -0.07 0.66 -0.23 0.00 0.00 178.00 179.61 2ka6 h SER 32 N 0.26 -0.17 -0.59 1.44 4.64 -1.95 -3.00 113.55 114.18 2ka6 h SER 32 Ca 0.05 -0.30 0.12 0.00 -0.47 0.00 0.00 61.79 61.19 2ka6 h SER 32 Cb 0.44 0.05 -0.11 0.00 -0.31 0.00 0.00 62.40 62.47 2ka6 h SER 32 CO 0.03 0.23 -0.10 0.00 -0.87 0.00 0.00 176.83 176.11 2ka6 h GLN 34 N 0.03 1.10 -0.09 0.00 4.20 -1.58 -1.45 115.11 117.33 2ka6 h GLN 34 Ca 0.29 -0.07 -0.15 0.00 0.06 0.00 0.00 58.65 58.78 2ka6 h GLN 34 Cb 0.45 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 27.99 2ka6 h GLN 34 CO -0.58 0.73 -0.54 -0.22 -0.67 0.00 0.00 178.83 177.56 2ka6 h LYS 35 N 1.13 0.52 -0.99 1.46 3.64 -0.98 -3.08 116.57 118.27 2ka6 h LYS 35 Ca 0.45 -0.44 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2ka6 h LYS 35 Cb 0.24 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 2ka6 h LYS 35 CO -0.19 1.07 0.65 0.52 -2.27 0.00 0.00 179.45 179.23 2ka6 h MET 36 N 0.11 1.20 -0.32 1.90 2.86 -0.28 0.85 114.93 121.25 2ka6 h MET 36 Ca -0.04 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2ka6 h MET 36 Cb 1.19 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 2ka6 h MET 36 CO 0.11 0.79 0.15 0.87 1.06 0.00 0.00 176.91 179.89 2ka6 h LYS 37 N 1.24 0.47 -0.67 1.72 1.57 -1.33 -0.39 116.57 119.17 2ka6 h LYS 37 Ca 0.40 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 59.04 2ka6 h LYS 37 Cb 0.03 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 2ka6 h LYS 37 CO -0.13 0.45 0.17 0.00 -0.57 0.00 0.00 179.45 179.36 2ka6 h ARG 38 N 0.39 1.06 0.33 3.15 3.08 -1.30 -1.65 114.38 119.44 2ka6 h ARG 38 Ca 0.11 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 2ka6 h ARG 38 Cb 0.14 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2ka6 h ARG 38 CO -0.01 0.94 -0.16 0.28 -1.07 0.00 0.00 179.97 179.95 2ka6 h VAL 39 N 1.01 0.69 -0.70 2.04 2.07 -0.70 -1.78 116.25 118.89 2ka6 h VAL 39 Ca 0.21 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 2ka6 h VAL 39 Cb 0.35 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2ka6 h VAL 39 CO 0.00 0.06 0.27 1.62 0.02 0.00 0.00 177.57 179.54 2ka6 h VAL 40 N -0.61 1.25 -0.76 2.57 3.04 -1.04 -2.51 116.25 118.19 2ka6 h VAL 40 Ca -0.05 -0.79 0.07 0.00 -1.01 0.00 0.00 66.70 64.92 2ka6 h VAL 40 Cb 0.44 0.45 -0.06 0.00 -2.01 0.00 0.00 31.29 30.11 2ka6 h VAL 40 CO 0.07 0.32 0.44 1.56 -1.01 0.00 0.00 177.57 178.94 2ka6 h GLN 41 N 1.01 0.75 0.59 4.17 1.08 -1.29 0.17 115.11 121.59 2ka6 h GLN 41 Ca 0.23 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.36 2ka6 h GLN 41 Cb 0.23 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2ka6 h GLN 41 CO -0.02 0.50 -0.32 1.25 -0.95 0.00 0.00 178.83 179.29 2ka6 h HIS 42 N 0.77 -0.84 -0.55 2.96 -0.00 -1.00 -3.15 115.15 113.34 2ka6 h HIS 42 Ca 0.35 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.71 2ka6 h HIS 42 Cb 0.25 0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 27.92 2ka6 h HIS 42 CO -0.07 -0.50 0.35 1.15 -0.00 0.00 0.00 177.93 178.86 2ka6 h THR 43 N -0.85 1.15 0.00 6.26 2.02 -1.07 -1.01 112.91 119.42 2ka6 h THR 43 Ca -0.08 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2ka6 h THR 43 Cb 0.67 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2ka6 h THR 43 CO 0.10 0.15 0.00 0.29 0.37 0.00 0.00 175.52 176.43 2ka6 n LYS 44 N -4.44 0.00 0.00 6.66 5.02 0.01 -3.01 118.16 122.41 2ka6 n LYS 44 Ca 0.05 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 2ka6 n LYS 44 Cb 0.06 -1.50 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 -1.33 -1.64 3.74 0.72 0.00 -0.60 -5.07 105.19 101.01 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 -1.38 2.32 0.06 0.00 4.76 -1.26 -4.74 118.16 117.91 2ka6 n LYS 47 Ca 0.13 -1.97 0.00 0.00 -2.87 0.00 0.00 58.31 53.59 2ka6 n LYS 47 Cb 0.46 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 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 0.82 0.00 -0.15 1.97 1.74 -1.26 -5.05 116.66 114.72 2ka6 n ARG 48 Ca 0.13 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.23 2ka6 n ARG 48 Cb 0.45 -0.35 -0.01 0.00 -1.02 0.00 0.00 32.46 31.53 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 -3.31 -0.31 -0.00 5.56 2.85 -1.26 -2.10 118.16 119.58 2ka6 n LYS 49 Ca 0.00 0.21 0.11 0.00 -1.05 0.00 0.00 58.31 57.58 2ka6 n LYS 49 Cb 0.10 -0.38 0.54 0.00 -0.65 0.00 0.00 35.03 34.64 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 -0.14 0.93 0.00 0.58 1.35 -1.91 0.50 112.91 114.21 2ka6 h THR 50 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 2ka6 h THR 50 Cb 0.14 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.15 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 -4.47 0.16 0.00 5.36 2.85 -1.26 -4.20 115.26 113.70 2ka6 n ASN 51 Ca 0.06 0.53 0.00 0.00 -0.11 0.00 0.00 54.58 55.06 2ka6 n ASN 51 Cb 0.30 -0.57 0.00 0.00 1.24 0.00 0.00 39.78 40.76 2ka6 n ASN 51 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2ka6 n GLY 52 N 0.69 0.00 0.00 8.20 0.00 -0.81 -5.08 105.19 108.19 2ka6 n GLY 52 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 2.83 -0.72 3.70 -0.02 0.00 0.07 -4.99 105.19 106.07 2ka6 n GLY 53 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 7.64 0.00 0.06 0.00 0.13 -1.99 -3.18 132.00 134.65 2ka6 h PRO 55 Ca -0.43 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2ka6 h PRO 55 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ka6 h PRO 55 CO 0.93 0.24 -0.03 0.28 -0.23 0.00 0.00 178.00 179.19 2ka6 h VAL 56 N 0.00 0.11 -0.49 1.56 2.07 -1.99 -3.07 116.25 114.43 2ka6 h VAL 56 Ca -0.00 -1.02 0.10 0.00 0.82 0.00 0.00 66.70 66.60 2ka6 h VAL 56 Cb 1.06 0.20 -0.10 0.00 -1.52 0.00 0.00 31.29 30.93 2ka6 h VAL 56 CO 0.03 0.04 -0.28 0.00 0.02 0.00 0.00 177.57 177.38 2ka6 h LYS 58 N -0.17 0.00 -0.09 0.00 3.64 -1.70 -0.31 116.57 117.95 2ka6 h LYS 58 Ca 0.22 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 2ka6 h LYS 58 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2ka6 h LYS 58 CO -0.59 0.00 -0.24 0.37 -2.27 0.00 0.00 179.45 176.72 2ka6 h GLN 59 N 0.00 0.32 -0.32 1.90 5.75 -0.83 -1.63 115.11 120.30 2ka6 h GLN 59 Ca 0.22 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2ka6 h GLN 59 Cb 0.89 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.46 2ka6 h GLN 59 CO -0.00 0.84 0.19 -0.07 -2.65 0.00 0.00 178.83 177.13 2ka6 h LEU 60 N -0.14 0.38 -0.73 -2.39 4.07 -0.87 -2.31 115.31 113.33 2ka6 h LEU 60 Ca -0.00 -0.06 0.08 0.00 0.08 0.00 0.00 57.88 57.97 2ka6 h LEU 60 Cb 0.85 -0.10 -0.06 0.00 1.08 0.00 0.00 40.66 42.42 2ka6 h LEU 60 CO 0.05 0.33 0.40 0.40 -1.08 0.00 0.00 178.44 178.54 2ka6 h ILE 61 N 0.40 0.92 0.29 1.22 1.08 -1.09 0.30 117.51 120.64 2ka6 h ILE 61 Ca 0.11 -0.24 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 2ka6 h ILE 61 Cb 0.02 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 33.94 2ka6 h ILE 61 CO -0.02 0.13 -0.14 0.00 -0.69 0.00 0.00 178.15 177.43 2ka6 h ALA 62 N 1.40 -0.39 -0.85 1.87 0.00 -1.13 0.36 119.26 120.52 2ka6 h ALA 62 Ca 0.34 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.22 2ka6 h ALA 62 Cb 0.28 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2ka6 h ALA 62 CO -0.22 -0.70 0.51 1.25 0.00 0.00 0.00 179.25 180.09 2ka6 h LEU 63 N -0.43 0.78 -0.10 0.00 5.85 -0.82 -1.60 115.31 118.99 2ka6 h LEU 63 Ca -0.04 0.03 -0.23 0.00 0.84 0.00 0.00 57.88 58.48 2ka6 h LEU 63 Cb 0.33 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.24 2ka6 h LEU 63 CO 0.07 0.48 -0.83 0.00 -0.34 0.00 0.00 178.44 177.82 2ka6 h TYR 66 N 0.74 0.08 0.00 0.00 3.20 -1.34 -2.41 116.97 117.24 2ka6 h TYR 66 Ca 0.20 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 2ka6 h TYR 66 Cb -0.03 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 2ka6 h TYR 66 CO -0.03 0.05 -0.28 1.25 -1.64 0.00 0.00 178.16 177.51 2ka6 h HIS 67 N 0.08 0.00 -0.97 -3.82 2.76 -1.24 -3.40 115.15 108.57 2ka6 h HIS 67 Ca 0.06 0.00 0.24 0.00 -2.20 0.00 0.00 60.37 58.47 2ka6 h HIS 67 Cb 0.14 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.03 2ka6 h HIS 67 CO -0.00 0.21 0.64 0.00 -1.30 0.00 0.00 177.93 177.48 2ka6 h ALA 68 N -0.87 2.31 0.08 5.26 0.00 -0.54 -0.52 119.26 124.97 2ka6 h ALA 68 Ca -0.03 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ka6 h ALA 68 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2ka6 h ALA 68 CO -0.02 -0.64 -0.04 1.57 0.00 0.00 0.00 179.25 180.13 2ka6 h LYS 69 N 0.35 -0.10 0.00 0.00 2.10 -1.65 -3.08 116.57 114.19 2ka6 h LYS 69 Ca 0.52 0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 59.12 2ka6 h LYS 69 Cb 1.39 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.73 2ka6 h LYS 69 CO -0.20 0.10 -0.27 0.45 -2.00 0.00 0.00 179.45 177.53 2ka6 h HIS 70 N -0.29 0.00 -4.23 0.07 3.86 -1.64 -3.45 115.15 109.47 2ka6 h HIS 70 Ca -0.01 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.70 2ka6 h HIS 70 Cb 0.24 0.00 0.08 0.00 1.06 0.00 0.00 27.41 28.80 2ka6 h HIS 70 CO -0.01 0.27 0.37 0.00 0.86 0.00 0.00 177.93 179.42 2ka6 n GLN 72 N -2.41 -0.02 -2.31 0.00 1.13 -1.26 -4.94 117.38 107.58 2ka6 n GLN 72 Ca 0.09 -0.02 -0.32 0.00 -1.94 0.00 0.00 57.00 54.80 2ka6 n GLN 72 Cb 0.53 -0.49 -0.02 0.00 0.11 0.00 0.00 30.24 30.37 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 -0.00 3.79 0.00 -1.09 2.56 -1.26 -5.01 118.70 117.69 2ka6 s GLU 73 Ca 0.00 1.02 0.08 0.00 0.00 0.00 0.00 54.97 56.07 2ka6 s GLU 73 Cb 0.00 -2.11 0.02 0.00 2.00 0.00 0.00 34.13 34.04 2ka6 s GLU 73 CO 0.00 -0.41 0.62 0.09 -0.56 0.00 0.00 175.26 174.99 2ka6 n ASN 74 N -1.70 1.26 -0.09 -1.70 3.02 -1.26 -4.55 115.26 110.25 2ka6 n ASN 74 Ca 0.07 -1.13 0.05 0.00 -0.03 0.00 0.00 54.58 53.54 2ka6 n ASN 74 Cb 0.54 0.31 0.07 0.00 -0.61 0.00 0.00 39.78 40.08 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 -0.05 1.64 -1.66 3.52 4.01 -1.26 -5.05 118.16 119.31 2ka6 n LYS 75 Ca 0.04 -1.87 -0.44 0.00 -0.51 0.00 0.00 58.31 55.52 2ka6 n LYS 75 Cb 0.17 -1.14 -0.02 0.00 -0.51 0.00 0.00 35.03 33.53 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 3.47 0.00 -6.34 0.00 0.13 -1.93 -3.44 132.00 123.89 2ka6 h PRO 77 Ca -0.44 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.14 2ka6 h PRO 77 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2ka6 h PRO 77 CO 0.70 0.31 0.90 0.08 -0.23 0.00 0.00 178.00 179.76 2ka6 s VAL 78 N -3.79 3.68 0.31 1.56 1.01 -1.26 -4.88 120.40 117.02 2ka6 s VAL 78 Ca -0.01 1.01 0.01 0.00 0.00 0.00 0.00 61.98 63.00 2ka6 s VAL 78 Cb 0.12 -3.65 0.17 0.00 0.00 0.00 0.00 36.38 33.01 2ka6 s VAL 78 CO 0.67 -0.02 1.86 1.55 0.00 0.00 0.00 175.10 179.16 2ka6 h PRO 79 N 8.18 0.72 0.00 2.72 0.13 -1.97 -2.91 132.00 138.87 2ka6 h PRO 79 Ca -0.37 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2ka6 h PRO 79 Cb 1.17 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2ka6 h PRO 79 CO 0.92 0.66 0.00 0.74 -0.23 0.00 0.00 178.00 180.09 2ka6 h PHE 80 N 0.70 0.00 0.55 1.56 0.04 -1.97 -3.31 116.94 114.52 2ka6 h PHE 80 Ca 0.16 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.90 2ka6 h PHE 80 Cb 0.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 2ka6 h PHE 80 CO 0.01 0.00 -0.27 0.00 -0.60 0.00 0.00 178.31 177.46 2ka6 h LEU 82 N -0.74 -0.57 0.23 0.00 3.38 -1.69 -0.48 115.31 115.44 2ka6 h LEU 82 Ca -0.07 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2ka6 h LEU 82 Cb 0.57 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2ka6 h LEU 82 CO 0.12 -0.20 -0.11 -1.13 0.09 0.00 0.00 178.44 177.21 2ka6 h ASN 83 N -0.11 -0.26 0.26 -0.43 -1.24 -1.61 -2.67 115.58 109.51 2ka6 h ASN 83 Ca 0.18 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 2ka6 h ASN 83 Cb 0.38 0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.50 2ka6 h ASN 83 CO -0.42 -0.01 -0.12 0.40 -1.29 0.00 0.00 177.43 175.98 2ka6 h ILE 84 N -0.51 0.77 -0.74 2.57 2.04 -0.80 -2.96 117.51 117.87 2ka6 h ILE 84 Ca -0.03 -0.16 0.17 0.00 1.00 0.00 0.00 64.86 65.83 2ka6 h ILE 84 Cb 0.38 0.87 -0.13 0.00 -0.74 0.00 0.00 36.82 37.20 2ka6 h ILE 84 CO 0.05 0.04 0.03 0.50 0.00 0.00 0.00 178.15 178.77 2ka6 h LYS 85 N -0.43 0.12 -0.24 2.37 3.64 -1.16 -0.54 116.57 120.33 2ka6 h LYS 85 Ca -0.04 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2ka6 h LYS 85 Cb 0.33 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2ka6 h LYS 85 CO 0.06 0.08 0.06 0.45 -2.27 0.00 0.00 179.45 177.83 2ka6 h HIS 86 N 0.12 0.11 -0.69 1.91 3.86 -1.38 -0.82 115.15 118.25 2ka6 h HIS 86 Ca 0.41 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.60 2ka6 h HIS 86 Cb 0.71 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.14 2ka6 h HIS 86 CO -0.40 0.04 0.33 0.87 0.86 0.00 0.00 177.93 179.63 2ka6 h LYS 87 N 0.16 0.99 -0.31 2.45 1.57 -0.99 -1.87 116.57 118.57 2ka6 h LYS 87 Ca 0.11 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 2ka6 h LYS 87 Cb 0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2ka6 h LYS 87 CO -0.13 0.78 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.28 2ka6 h LEU 88 N 0.96 0.70 -0.94 2.94 3.38 -0.99 -1.75 115.31 119.60 2ka6 h LEU 88 Ca 0.24 -0.42 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 2ka6 h LEU 88 Cb 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2ka6 h LEU 88 CO -0.03 0.97 -0.29 0.03 0.09 0.00 0.00 178.44 179.21 2ka6 h ARG 89 N 0.43 0.42 -0.47 1.13 2.47 -1.11 -3.08 114.38 114.17 2ka6 h ARG 89 Ca 0.06 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 2ka6 h ARG 89 Cb 0.72 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 2ka6 h ARG 89 CO 0.05 0.68 0.00 1.04 0.56 0.00 0.00 179.97 182.30 2ka6 n GLN 90 N -4.10 2.29 0.08 0.04 6.02 -0.71 -4.56 117.38 116.44 2ka6 n GLN 90 Ca -0.01 -1.98 0.15 0.00 -0.01 0.00 0.00 57.00 55.15 2ka6 n GLN 90 Cb 0.42 -1.46 0.65 0.00 1.02 0.00 0.00 30.24 30.88 2ka6 n GLN 90 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 2ka6 h GLN 91 N 3.47 0.04 0.00 -1.09 4.15 -1.22 -3.49 115.11 116.97 2ka6 h GLN 91 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2ka6 h GLN 91 Cb 0.78 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.46 2ka6 h GLN 91 CO 0.00 0.03 0.00 1.04 -1.93 0.00 0.00 178.83 177.97