#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 -0.50 0.07 1.43 0.13 -2.08 -3.16 132.00 127.90 2ka6 h PRO 2 Ca 0.00 0.03 -0.33 0.00 -0.87 0.00 0.00 66.00 64.83 2ka6 h PRO 2 Cb 0.00 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.21 2ka6 h PRO 2 CO 0.00 -0.19 -1.87 1.04 -0.23 0.00 0.00 178.00 176.74 2ka6 n GLN 3 N -5.14 0.71 -0.12 0.86 1.13 -1.26 -4.48 117.38 109.08 2ka6 n GLN 3 Ca -0.09 0.28 0.16 0.00 -1.94 0.00 0.00 57.00 55.41 2ka6 n GLN 3 Cb 0.27 -1.75 0.54 0.00 0.11 0.00 0.00 30.24 29.42 2ka6 n GLN 3 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2ka6 h GLU 4 N 0.04 0.32 -0.69 -1.09 3.07 -2.00 -2.96 114.58 111.27 2ka6 h GLU 4 Ca -0.36 -0.02 0.11 0.00 -0.50 0.00 0.00 59.36 58.59 2ka6 h GLU 4 Cb 2.03 -0.07 -0.08 0.00 -0.84 0.00 0.00 28.75 29.79 2ka6 h GLU 4 CO 0.09 0.21 0.29 0.66 -1.40 0.00 0.00 179.01 178.86 2ka6 h SER 5 N 0.33 0.32 -0.07 1.42 4.64 -1.77 0.55 113.55 118.97 2ka6 h SER 5 Ca 0.33 0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.69 2ka6 h SER 5 Cb 0.82 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2ka6 h SER 5 CO -0.09 0.17 -0.12 0.03 -0.87 0.00 0.00 176.83 175.95 2ka6 h ARG 6 N 0.48 0.20 -0.40 4.77 3.08 -1.84 -2.63 114.38 118.04 2ka6 h ARG 6 Ca 0.36 -0.12 0.07 0.00 0.07 0.00 0.00 59.98 60.36 2ka6 h ARG 6 Cb 0.46 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.46 2ka6 h ARG 6 CO -0.33 0.70 0.02 0.00 -1.07 0.00 0.00 179.97 179.28 2ka6 h ARG 7 N -0.28 0.12 -0.03 0.04 3.08 -1.42 -0.54 114.38 115.35 2ka6 h ARG 7 Ca 0.00 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 2ka6 h ARG 7 Cb 0.68 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 2ka6 h ARG 7 CO 0.03 0.08 -0.50 -0.07 -1.07 0.00 0.00 179.97 178.44 2ka6 h LEU 8 N 0.13 0.09 -0.33 3.04 3.38 -1.01 -3.08 115.31 117.53 2ka6 h LEU 8 Ca 0.19 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.93 2ka6 h LEU 8 Cb 0.27 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2ka6 h LEU 8 CO -0.31 0.57 -0.77 0.28 0.09 0.00 0.00 178.44 178.30 2ka6 h SER 9 N 0.07 0.56 -0.86 -0.43 0.02 -0.97 -3.14 113.55 108.79 2ka6 h SER 9 Ca -0.00 -0.38 0.04 0.00 -0.84 0.00 0.00 61.79 60.61 2ka6 h SER 9 Cb 0.90 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.22 2ka6 h SER 9 CO 0.07 1.14 0.57 0.40 -1.14 0.00 0.00 176.83 177.87 2ka6 h ILE 10 N 0.31 1.12 -0.46 3.27 2.04 -1.04 -1.98 117.51 120.76 2ka6 h ILE 10 Ca -0.04 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.48 2ka6 h ILE 10 Cb 1.37 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2ka6 h ILE 10 CO 0.14 0.19 0.30 1.56 0.00 0.00 0.00 178.15 180.34 2ka6 h GLN 11 N 1.04 0.53 -0.62 2.37 1.08 -1.49 -1.31 115.11 116.72 2ka6 h GLN 11 Ca 0.35 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.51 2ka6 h GLN 11 Cb 0.08 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 2ka6 h GLN 11 CO -0.11 0.35 0.37 0.00 -0.95 0.00 0.00 178.83 178.48 2ka6 h ARG 12 N 0.54 0.85 -0.47 1.46 3.08 -1.42 -1.22 114.38 117.19 2ka6 h ARG 12 Ca 0.18 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 2ka6 h ARG 12 Cb 0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2ka6 h ARG 12 CO -0.04 0.61 -0.21 0.00 -1.07 0.00 0.00 179.97 179.26 2ka6 h ILE 14 N 0.83 0.99 -0.97 0.00 2.04 -0.90 -0.13 117.51 119.38 2ka6 h ILE 14 Ca 0.11 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.92 2ka6 h ILE 14 Cb 0.78 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 2ka6 h ILE 14 CO 0.06 0.03 0.64 1.56 0.00 0.00 0.00 178.15 180.45 2ka6 h GLN 15 N 0.18 1.25 -0.48 2.37 4.20 -1.16 -0.31 115.11 121.17 2ka6 h GLN 15 Ca 0.07 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2ka6 h GLN 15 Cb 0.02 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 2ka6 h GLN 15 CO -0.05 0.83 0.18 0.77 -0.67 0.00 0.00 178.83 179.89 2ka6 h SER 16 N 1.29 0.67 -0.41 1.46 0.02 -0.83 -0.26 113.55 115.49 2ka6 h SER 16 Ca 0.36 -0.18 -0.14 0.00 -0.84 0.00 0.00 61.79 60.99 2ka6 h SER 16 Cb -0.12 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 2ka6 h SER 16 CO -0.09 0.67 -0.28 0.25 -1.14 0.00 0.00 176.83 176.24 2ka6 h LEU 17 N 0.63 0.95 -0.58 5.07 5.85 -0.77 -1.35 115.31 125.11 2ka6 h LEU 17 Ca 0.16 -0.43 0.02 0.00 0.84 0.00 0.00 57.88 58.46 2ka6 h LEU 17 Cb 0.22 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2ka6 h LEU 17 CO -0.01 1.18 0.37 0.58 -0.34 0.00 0.00 178.44 180.22 2ka6 h VAL 18 N 0.73 1.10 0.34 1.05 2.07 -0.94 -0.46 116.25 120.14 2ka6 h VAL 18 Ca 0.08 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2ka6 h VAL 18 Cb 0.86 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2ka6 h VAL 18 CO 0.08 0.14 -0.18 -0.74 0.02 0.00 0.00 177.57 176.88 2ka6 h HIS 19 N 0.74 -0.47 -0.62 1.57 -0.00 -0.94 -2.97 115.15 112.45 2ka6 h HIS 19 Ca 0.23 -0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.69 2ka6 h HIS 19 Cb -0.03 0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.51 2ka6 h HIS 19 CO -0.05 -0.29 0.42 0.00 -0.00 0.00 0.00 177.93 178.01 2ka6 h ALA 20 N 0.17 2.03 0.00 5.26 0.00 -0.90 0.74 119.26 126.56 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 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2ka6 h ALA 20 CO 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.13 2ka6 n GLN 22 N -1.98 2.47 -0.91 0.00 6.02 -0.34 -4.84 117.38 117.80 2ka6 n GLN 22 Ca 0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.72 2ka6 n GLN 22 Cb 0.21 -1.22 0.18 0.00 1.02 0.00 0.00 30.24 30.44 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 -4.31 2.89 -1.99 0.00 1.74 -1.26 -4.96 116.66 108.77 2ka6 n ARG 24 Ca 0.06 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 2ka6 n ARG 24 Cb 0.55 -0.33 -0.03 0.00 -1.02 0.00 0.00 32.46 31.63 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 -0.33 6.48 0.57 0.55 0.01 -1.26 -4.90 114.94 116.06 2ka6 s ASN 25 Ca 0.00 2.06 0.28 0.00 -0.71 0.00 0.00 52.86 54.49 2ka6 s ASN 25 Cb 0.00 -2.53 1.71 0.00 0.41 0.00 0.00 41.25 40.84 2ka6 s ASN 25 CO 0.00 -1.11 2.22 0.00 -1.51 0.00 0.00 177.10 176.70 2ka6 h ALA 26 N 10.35 1.53 -1.60 0.60 0.00 -1.99 -3.22 119.26 124.94 2ka6 h ALA 26 Ca -0.38 -0.02 -0.43 0.00 0.00 0.00 0.00 54.91 54.07 2ka6 h ALA 26 Cb 1.18 -0.00 -0.38 0.00 0.00 0.00 0.00 17.79 18.58 2ka6 h ALA 26 CO 0.97 0.03 -1.15 0.09 0.00 0.00 0.00 179.25 179.18 2ka6 n ASN 27 N -3.88 0.82 -4.36 0.00 3.02 -1.26 -4.85 115.26 104.74 2ka6 n ASN 27 Ca -0.03 -2.95 -0.34 0.00 -0.03 0.00 0.00 54.58 51.24 2ka6 n ASN 27 Cb 0.11 -0.45 0.10 0.00 -0.61 0.00 0.00 39.78 38.92 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 -1.28 0.00 -3.39 0.00 4.64 -2.01 -3.43 113.55 108.08 2ka6 h SER 29 Ca -0.44 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.34 2ka6 h SER 29 Cb 1.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.36 2ka6 h SER 29 CO 0.34 0.04 0.31 -0.76 -0.87 0.00 0.00 176.83 175.89 2ka6 s LEU 30 N -6.50 4.35 0.41 5.97 1.43 -1.26 -4.97 118.68 118.11 2ka6 s LEU 30 Ca -0.02 1.54 0.11 0.00 -1.03 0.00 0.00 54.13 54.73 2ka6 s LEU 30 Cb 0.11 -3.45 0.88 0.00 0.03 0.00 0.00 46.19 43.76 2ka6 s LEU 30 CO 0.52 -0.23 1.96 1.55 0.23 0.00 0.00 176.35 180.37 2ka6 h PRO 31 N 6.81 0.16 0.03 1.29 0.13 -2.01 -3.09 132.00 135.31 2ka6 h PRO 31 Ca -0.41 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.57 2ka6 h PRO 31 Cb 1.21 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.33 2ka6 h PRO 31 CO 0.76 0.30 -0.49 0.66 -0.23 0.00 0.00 178.00 178.99 2ka6 h SER 32 N 0.15 0.39 -0.73 1.44 4.64 -1.95 -3.35 113.55 114.15 2ka6 h SER 32 Ca 0.03 -0.82 0.16 0.00 -0.47 0.00 0.00 61.79 60.70 2ka6 h SER 32 Cb 0.33 -0.12 -0.11 0.00 -0.31 0.00 0.00 62.40 62.18 2ka6 h SER 32 CO 0.02 1.16 0.16 0.00 -0.87 0.00 0.00 176.83 177.30 2ka6 h GLN 34 N 0.25 0.67 0.16 0.00 4.20 -1.68 -2.14 115.11 116.58 2ka6 h GLN 34 Ca 0.41 -0.04 -0.29 0.00 0.06 0.00 0.00 58.65 58.80 2ka6 h GLN 34 Cb 0.71 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 28.35 2ka6 h GLN 34 CO -0.52 0.44 -1.37 -0.22 -0.67 0.00 0.00 178.83 176.49 2ka6 h LYS 35 N 0.69 0.35 -0.61 1.46 3.64 -1.23 -3.29 116.57 117.57 2ka6 h LYS 35 Ca 0.52 -0.59 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2ka6 h LYS 35 Cb 0.78 0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 32.76 2ka6 h LYS 35 CO -0.38 1.28 0.31 0.52 -2.27 0.00 0.00 179.45 178.92 2ka6 h MET 36 N -0.14 0.55 -0.38 1.90 2.86 -0.52 -0.01 114.93 119.19 2ka6 h MET 36 Ca -0.27 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 2ka6 h MET 36 Cb 1.89 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 33.41 2ka6 h MET 36 CO 0.15 0.37 0.23 0.87 1.06 0.00 0.00 176.91 179.58 2ka6 h LYS 37 N 0.57 0.52 -0.97 1.72 1.57 -1.55 -1.73 116.57 116.71 2ka6 h LYS 37 Ca 0.28 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 2ka6 h LYS 37 Cb 0.22 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 2ka6 h LYS 37 CO -0.20 0.40 0.64 0.00 -0.57 0.00 0.00 179.45 179.71 2ka6 h ARG 38 N 0.50 1.25 0.30 3.15 3.08 -1.43 -1.16 114.38 120.08 2ka6 h ARG 38 Ca 0.14 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2ka6 h ARG 38 Cb 0.01 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.78 2ka6 h ARG 38 CO -0.03 0.83 -0.15 0.28 -1.07 0.00 0.00 179.97 179.84 2ka6 h VAL 39 N 1.29 0.73 -0.62 2.04 2.07 -0.79 -1.27 116.25 119.69 2ka6 h VAL 39 Ca 0.36 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 2ka6 h VAL 39 Cb -0.11 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2ka6 h VAL 39 CO -0.09 0.06 0.29 1.62 0.02 0.00 0.00 177.57 179.47 2ka6 h VAL 40 N -0.56 1.22 -0.91 2.57 3.04 -1.16 -2.41 116.25 118.05 2ka6 h VAL 40 Ca -0.04 -0.63 0.04 0.00 -1.01 0.00 0.00 66.70 65.05 2ka6 h VAL 40 Cb 0.41 0.48 -0.05 0.00 -2.01 0.00 0.00 31.29 30.12 2ka6 h VAL 40 CO 0.07 0.26 0.59 1.56 -1.01 0.00 0.00 177.57 179.03 2ka6 h GLN 41 N 0.86 1.10 0.73 4.17 1.08 -1.20 0.06 115.11 121.92 2ka6 h GLN 41 Ca 0.21 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.31 2ka6 h GLN 41 Cb 0.14 -0.25 0.01 0.00 -0.05 0.00 0.00 27.48 27.32 2ka6 h GLN 41 CO -0.03 0.73 -0.36 1.25 -0.95 0.00 0.00 178.83 179.47 2ka6 h HIS 42 N 1.14 -0.94 -0.51 2.96 -0.00 -0.95 -3.19 115.15 113.65 2ka6 h HIS 42 Ca 0.37 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.73 2ka6 h HIS 42 Cb 0.02 0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 27.72 2ka6 h HIS 42 CO -0.01 -0.58 0.34 1.15 -0.00 0.00 0.00 177.93 178.83 2ka6 h THR 43 N -1.00 1.11 0.00 6.26 2.02 -1.16 -1.70 112.91 118.43 2ka6 h THR 43 Ca -0.10 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2ka6 h THR 43 Cb 0.77 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2ka6 h THR 43 CO 0.16 0.12 0.12 0.29 0.37 0.00 0.00 175.52 176.57 2ka6 n LYS 44 N -4.46 0.07 -0.42 6.66 5.02 -0.02 -2.86 118.16 122.15 2ka6 n LYS 44 Ca 0.05 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 2ka6 n LYS 44 Cb 0.08 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 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 -1.34 0.31 3.71 0.72 0.00 -0.74 -5.09 105.19 102.77 2ka6 n GLY 45 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.35 1.04 0.01 0.00 4.76 -1.26 -4.77 118.16 114.59 2ka6 n LYS 47 Ca 0.12 -1.10 -0.02 0.00 -2.87 0.00 0.00 58.31 54.45 2ka6 n LYS 47 Cb 0.51 -1.05 -0.01 0.00 -1.84 0.00 0.00 35.03 32.64 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 -0.06 0.05 0.00 1.97 1.74 -1.26 -5.04 116.66 114.07 2ka6 n ARG 48 Ca 0.02 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2ka6 n ARG 48 Cb 0.17 -0.59 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 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 -3.35 0.00 0.12 5.56 0.00 -1.26 -2.03 118.16 117.20 2ka6 n LYS 49 Ca -0.03 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.33 2ka6 n LYS 49 Cb 0.30 0.00 0.49 0.00 -0.00 0.00 0.00 35.03 35.82 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 1.09 0.00 0.58 1.35 -1.90 -0.03 112.91 114.00 2ka6 h THR 50 Ca 0.00 -0.28 -0.03 0.00 -0.55 0.00 0.00 66.41 65.55 2ka6 h THR 50 Cb 0.00 0.87 -0.00 0.00 -1.73 0.00 0.00 68.15 67.28 2ka6 h THR 50 CO 0.00 0.10 -0.13 -1.13 -0.25 0.00 0.00 175.52 174.11 2ka6 h ASN 51 N 0.27 0.00 0.00 5.36 -0.73 -1.98 -3.34 115.58 115.16 2ka6 h ASN 51 Ca 0.07 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.11 2ka6 h ASN 51 Cb 0.08 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.64 2ka6 h ASN 51 CO -0.01 0.13 -1.47 0.61 -0.37 0.00 0.00 177.43 176.32 2ka6 n GLY 52 N -0.33 -0.17 0.00 1.57 0.00 -0.86 -5.07 105.19 100.34 2ka6 n GLY 52 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 2.98 -0.35 3.68 -0.02 0.00 -0.15 -5.01 105.19 106.31 2ka6 n GLY 53 Ca -0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.43 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 6.39 0.09 0.14 0.00 0.13 -1.99 -2.94 132.00 133.82 2ka6 h PRO 55 Ca -0.45 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2ka6 h PRO 55 Cb 1.24 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2ka6 h PRO 55 CO 0.91 0.71 -0.07 0.28 -0.23 0.00 0.00 178.00 179.61 2ka6 h VAL 56 N 0.06 0.90 -0.12 1.56 2.07 -1.98 -3.03 116.25 115.72 2ka6 h VAL 56 Ca -0.01 -1.21 0.04 0.00 0.82 0.00 0.00 66.70 66.34 2ka6 h VAL 56 Cb 1.17 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 2ka6 h VAL 56 CO 0.09 0.24 -0.12 0.00 0.02 0.00 0.00 177.57 177.81 2ka6 h LYS 58 N -0.14 0.00 0.47 0.00 1.57 -1.64 -1.55 116.57 115.28 2ka6 h LYS 58 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2ka6 h LYS 58 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2ka6 h LYS 58 CO -0.20 0.00 -0.23 0.37 -0.57 0.00 0.00 179.45 178.82 2ka6 h GLN 59 N 0.00 -0.61 -0.19 3.15 5.75 -1.15 -1.67 115.11 120.40 2ka6 h GLN 59 Ca 0.10 0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.56 2ka6 h GLN 59 Cb 0.41 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 2ka6 h GLN 59 CO -0.00 -0.30 -0.24 1.37 -2.65 0.00 0.00 178.83 177.01 2ka6 h LEU 60 N -0.98 0.34 -0.87 -2.39 -0.00 -1.40 -2.71 115.31 107.29 2ka6 h LEU 60 Ca -0.06 -0.10 -0.04 0.00 -0.00 0.00 0.00 57.88 57.67 2ka6 h LEU 60 Cb 0.59 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.12 2ka6 h LEU 60 CO 0.11 0.58 0.30 0.40 -0.00 0.00 0.00 178.44 179.83 2ka6 h ILE 61 N 0.31 1.25 0.03 0.15 1.08 -1.28 0.28 117.51 119.32 2ka6 h ILE 61 Ca 0.05 -0.80 -0.00 0.00 -0.39 0.00 0.00 64.86 63.72 2ka6 h ILE 61 Cb 0.59 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 2ka6 h ILE 61 CO 0.04 0.32 -0.01 0.00 -0.69 0.00 0.00 178.15 177.81 2ka6 h ALA 62 N 1.23 -0.03 -0.52 1.87 0.00 -1.14 0.29 119.26 120.96 2ka6 h ALA 62 Ca 0.25 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.21 2ka6 h ALA 62 Cb 0.21 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2ka6 h ALA 62 CO -0.02 -0.50 0.18 1.25 0.00 0.00 0.00 179.25 180.16 2ka6 h LEU 63 N -0.07 0.16 -0.55 0.00 6.46 -1.11 -0.82 115.31 119.39 2ka6 h LEU 63 Ca -0.00 0.07 -0.14 0.00 -0.12 0.00 0.00 57.88 57.68 2ka6 h LEU 63 Cb 0.07 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 2ka6 h LEU 63 CO 0.01 0.12 -0.38 0.00 -0.62 0.00 0.00 178.44 177.56 2ka6 h TYR 66 N 1.00 0.68 0.28 0.00 3.20 -1.11 -0.97 116.97 120.05 2ka6 h TYR 66 Ca 0.24 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 2ka6 h TYR 66 Cb 0.13 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.19 2ka6 h TYR 66 CO 0.01 0.38 -0.13 1.25 -1.64 0.00 0.00 178.16 178.02 2ka6 h HIS 67 N 0.71 -0.34 -0.25 -3.82 2.76 -1.25 -3.31 115.15 109.65 2ka6 h HIS 67 Ca 0.25 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.49 2ka6 h HIS 67 Cb 0.06 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 2ka6 h HIS 67 CO -0.06 0.02 0.23 0.00 -1.30 0.00 0.00 177.93 176.81 2ka6 h ALA 68 N -0.41 2.03 -0.89 5.26 0.00 -0.54 -0.65 119.26 124.06 2ka6 h ALA 68 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2ka6 h ALA 68 Cb 0.51 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2ka6 h ALA 68 CO 0.06 -0.35 0.51 0.87 0.00 0.00 0.00 179.25 180.33 2ka6 h LYS 69 N 0.00 1.22 0.05 0.00 1.57 -1.26 -3.18 116.57 114.96 2ka6 h LYS 69 Ca 0.12 -0.13 -0.32 0.00 -1.87 0.00 0.00 60.65 58.45 2ka6 h LYS 69 Cb 0.57 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 2ka6 h LYS 69 CO -0.00 0.88 -1.80 0.72 -0.57 0.00 0.00 179.45 178.67 2ka6 n HIS 70 N -4.34 1.12 -1.92 -1.35 8.25 -0.69 -4.96 115.22 111.32 2ka6 n HIS 70 Ca 0.10 0.33 -0.40 0.00 -0.26 0.00 0.00 57.72 57.49 2ka6 n HIS 70 Cb 0.08 -1.18 0.01 0.00 1.12 0.00 0.00 29.99 30.02 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 -0.02 -0.19 -2.42 0.00 6.02 -1.26 -4.89 117.38 114.62 2ka6 n GLN 72 Ca 0.04 -0.20 -0.32 0.00 -0.01 0.00 0.00 57.00 56.51 2ka6 n GLN 72 Cb 0.43 -0.65 -0.03 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 -0.03 3.87 0.00 -1.09 2.56 -1.26 -5.02 118.70 117.74 2ka6 s GLU 73 Ca 0.00 0.83 0.06 0.00 0.00 0.00 0.00 54.97 55.87 2ka6 s GLU 73 Cb 0.00 -2.18 0.08 0.00 2.00 0.00 0.00 34.13 34.03 2ka6 s GLU 73 CO 0.00 -0.26 0.80 -1.71 -0.56 0.00 0.00 175.26 173.52 2ka6 n ASN 74 N -1.68 1.74 -0.03 -1.70 2.85 -1.26 -4.52 115.26 110.66 2ka6 n ASN 74 Ca 0.06 -1.42 0.03 0.00 -0.11 0.00 0.00 54.58 53.14 2ka6 n ASN 74 Cb 0.54 -0.03 0.04 0.00 1.24 0.00 0.00 39.78 41.58 2ka6 n ASN 74 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2ka6 n LYS 75 N 0.31 2.26 -1.69 1.20 4.01 -1.26 -5.06 118.16 117.92 2ka6 n LYS 75 Ca 0.04 -1.78 -0.44 0.00 -0.51 0.00 0.00 58.31 55.63 2ka6 n LYS 75 Cb 0.20 -1.12 -0.02 0.00 -0.51 0.00 0.00 35.03 33.58 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 3.41 0.00 -6.33 0.00 0.13 -1.93 -3.44 132.00 123.85 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 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2ka6 h PRO 77 CO 0.69 0.40 0.95 0.08 -0.23 0.00 0.00 178.00 179.89 2ka6 s VAL 78 N -3.95 3.61 0.27 1.56 1.01 -1.26 -4.84 120.40 116.81 2ka6 s VAL 78 Ca -0.02 0.91 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 2ka6 s VAL 78 Cb 0.13 -3.59 0.12 0.00 0.00 0.00 0.00 36.38 33.05 2ka6 s VAL 78 CO 0.71 -0.04 1.78 1.55 0.00 0.00 0.00 175.10 179.11 2ka6 h PRO 79 N 8.51 0.74 0.00 2.72 0.13 -1.95 -3.09 132.00 139.06 2ka6 h PRO 79 Ca -0.38 -0.19 -0.09 0.00 -0.87 0.00 0.00 66.00 64.47 2ka6 h PRO 79 Cb 1.17 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2ka6 h PRO 79 CO 0.93 0.75 -0.45 0.74 -0.23 0.00 0.00 178.00 179.75 2ka6 h PHE 80 N 0.69 0.00 -0.01 1.56 0.04 -1.97 -3.33 116.94 113.92 2ka6 h PHE 80 Ca 0.14 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.93 2ka6 h PHE 80 Cb 0.43 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 2ka6 h PHE 80 CO 0.02 0.45 -0.09 0.00 -0.60 0.00 0.00 178.31 178.08 2ka6 h LEU 82 N -0.16 -0.21 -0.34 0.00 3.38 -1.70 -0.58 115.31 115.70 2ka6 h LEU 82 Ca 0.04 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2ka6 h LEU 82 Cb 0.21 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2ka6 h LEU 82 CO -0.10 -0.07 0.06 -1.13 0.09 0.00 0.00 178.44 177.29 2ka6 h ASN 83 N 0.02 0.54 0.09 -0.43 -1.24 -1.62 -3.08 115.58 109.87 2ka6 h ASN 83 Ca 0.13 -0.26 -0.00 0.00 0.71 0.00 0.00 56.30 56.87 2ka6 h ASN 83 Cb 0.19 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.09 2ka6 h ASN 83 CO -0.25 0.66 -0.05 0.40 -1.29 0.00 0.00 177.43 176.90 2ka6 h ILE 84 N 0.40 1.12 -0.72 2.57 2.04 -0.69 -3.24 117.51 118.98 2ka6 h ILE 84 Ca 0.10 -0.85 0.09 0.00 1.00 0.00 0.00 64.86 65.20 2ka6 h ILE 84 Cb 0.35 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 2ka6 h ILE 84 CO 0.01 0.21 0.47 0.07 0.00 0.00 0.00 178.15 178.91 2ka6 h LYS 85 N -0.52 0.61 0.00 2.37 2.10 -1.18 0.28 116.57 120.22 2ka6 h LYS 85 Ca -0.01 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.58 2ka6 h LYS 85 Cb 0.43 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2ka6 h LYS 85 CO 0.02 0.40 -0.09 0.45 -2.00 0.00 0.00 179.45 178.23 2ka6 h HIS 86 N 0.63 0.00 0.09 0.07 3.86 -1.58 -0.17 115.15 118.05 2ka6 h HIS 86 Ca 0.33 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 59.21 2ka6 h HIS 86 Cb 0.45 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 2ka6 h HIS 86 CO -0.00 0.09 -1.79 1.63 0.86 0.00 0.00 177.93 178.72 2ka6 n LYS 87 N -3.43 0.71 0.22 2.45 5.02 -0.32 -4.42 118.16 118.39 2ka6 n LYS 87 Ca -0.01 0.35 0.07 0.00 -2.02 0.00 0.00 58.31 56.70 2ka6 n LYS 87 Cb 0.24 -1.72 0.52 0.00 -0.02 0.00 0.00 35.03 34.05 2ka6 n LYS 87 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2ka6 h LEU 88 N -0.23 0.00 -1.90 -0.35 4.07 -0.81 -3.08 115.31 113.01 2ka6 h LEU 88 Ca -0.40 0.00 0.08 0.00 0.08 0.00 0.00 57.88 57.63 2ka6 h LEU 88 Cb 1.83 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.56 2ka6 h LEU 88 CO 0.00 0.24 0.44 0.08 -1.08 0.00 0.00 178.44 178.13 2ka6 h ARG 89 N 0.00 0.00 0.00 1.13 -0.00 -1.24 -1.08 114.38 113.19 2ka6 h ARG 89 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.96 2ka6 h ARG 89 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.49 2ka6 h ARG 89 CO 0.03 0.00 -0.08 1.96 -0.00 0.00 0.00 179.97 181.89 2ka6 h GLN 90 N 0.00 0.00 -6.67 0.08 4.20 -1.81 -3.44 115.11 107.47 2ka6 h GLN 90 Ca 0.13 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.31 2ka6 h GLN 90 Cb 1.01 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.82 2ka6 h GLN 90 CO -0.00 0.08 0.67 -0.65 -0.67 0.00 0.00 178.83 178.25 2ka6 s GLN 91 N -3.84 4.37 0.00 1.46 -0.21 -0.41 -5.22 119.66 115.81 2ka6 s GLN 91 Ca -0.01 2.07 0.00 0.00 0.02 0.00 0.00 55.36 57.45 2ka6 s GLN 91 Cb 0.11 -3.19 0.00 0.00 1.00 0.00 0.00 33.01 30.92 2ka6 s GLN 91 CO 0.55 -0.28 0.00 1.04 -2.12 0.00 0.00 175.29 174.48