#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kyx s LEU 13 N 0.00 4.26 -0.08 0.64 1.43 -1.26 -5.03 118.68 118.63 1kyx s LEU 13 Ca 0.00 1.64 0.03 0.00 -1.03 0.00 0.00 54.13 54.77 1kyx s LEU 13 Cb 0.00 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 1kyx s LEU 13 CO 0.00 -0.50 -0.18 -0.54 0.23 0.00 0.00 176.35 175.36 1kyx s LYS 14 N 2.09 2.84 -0.44 1.70 -0.14 -1.26 -4.54 119.74 119.99 1kyx s LYS 14 Ca 0.51 -0.78 0.08 0.00 -1.36 0.00 0.00 55.97 54.43 1kyx s LYS 14 Cb -0.21 -2.38 0.27 0.00 -1.68 0.00 0.00 37.83 33.83 1kyx s LYS 14 CO 0.19 0.38 0.62 0.41 -0.76 0.00 0.00 175.35 176.20 1kyx n GLY 15 N 2.99 3.48 0.31 -3.33 0.00 0.16 -4.95 105.19 103.86 1kyx n GLY 15 Ca -0.18 -1.87 0.20 0.00 0.00 0.00 0.00 46.02 44.18 1kyx n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kyx h PRO 16 N 3.80 0.00 -0.16 1.61 0.13 -1.72 -2.70 132.00 132.97 1kyx h PRO 16 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1kyx h PRO 16 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1kyx h PRO 16 CO 0.55 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.72 1kyx n GLU 17 N -3.13 2.14 -2.41 0.86 1.02 -1.26 -4.41 120.64 113.46 1kyx n GLU 17 Ca -0.02 -1.94 -0.38 0.00 -0.02 0.00 0.00 57.16 54.80 1kyx n GLU 17 Cb 0.17 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 1kyx n GLU 17 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1kyx s LEU 18 N -1.63 4.21 -0.19 -4.62 1.43 -1.02 -5.03 118.68 111.83 1kyx s LEU 18 Ca 0.29 2.22 -0.02 0.00 -1.03 0.00 0.00 54.13 55.59 1kyx s LEU 18 Cb 0.19 -4.05 -0.00 0.00 0.03 0.00 0.00 46.19 42.36 1kyx s LEU 18 CO 0.28 -0.56 -0.10 -0.13 0.23 0.00 0.00 176.35 176.07 1kyx s ARG 19 N -2.29 3.29 -0.05 1.70 0.52 -1.26 -4.75 118.95 116.11 1kyx s ARG 19 Ca 0.56 -0.69 0.06 0.00 -0.52 0.00 0.00 55.73 55.14 1kyx s ARG 19 Cb -0.27 -2.83 -0.02 0.00 0.52 0.00 0.00 34.95 32.35 1kyx s ARG 19 CO 0.34 -0.11 -0.22 0.42 0.02 0.00 0.00 175.30 175.75 1kyx s ILE 20 N 1.20 2.33 -0.11 1.52 -1.09 -0.18 -0.64 121.20 124.23 1kyx s ILE 20 Ca 0.02 -0.98 -0.02 0.00 -2.23 0.00 0.00 60.65 57.44 1kyx s ILE 20 Cb -0.14 -1.86 -0.03 0.00 -1.58 0.00 0.00 42.46 38.84 1kyx s ILE 20 CO -0.04 0.57 -0.03 -0.22 -1.23 0.00 0.00 174.94 174.00 1kyx s LEU 21 N -0.34 3.37 -0.14 2.97 2.96 -0.64 -1.16 118.68 125.70 1kyx s LEU 21 Ca 0.02 0.00 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 1kyx s LEU 21 Cb -0.12 -1.78 0.02 0.00 0.50 0.00 0.00 46.19 44.81 1kyx s LEU 21 CO 0.02 0.29 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.59 1kyx s ILE 22 N -0.37 1.41 -0.16 6.68 1.01 0.65 -0.96 121.20 129.47 1kyx s ILE 22 Ca 0.06 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1kyx s ILE 22 Cb -0.12 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 40.99 1kyx s ILE 22 CO 0.02 0.42 -0.19 -0.69 0.00 0.00 0.00 174.94 174.50 1kyx s VAL 23 N 1.55 2.29 0.12 2.92 1.01 -0.69 -0.60 120.40 127.00 1kyx s VAL 23 Ca 0.05 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.20 1kyx s VAL 23 Cb -0.13 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1kyx s VAL 23 CO -0.10 0.53 -0.16 -1.38 0.00 0.00 0.00 175.10 173.99 1kyx s HIS 24 N 0.93 1.51 0.79 5.22 -3.43 -0.67 -1.25 115.29 118.39 1kyx s HIS 24 Ca -0.04 -0.50 -0.08 0.00 -0.80 0.00 0.00 55.06 53.64 1kyx s HIS 24 Cb -0.15 -0.80 0.12 0.00 -1.43 0.00 0.00 32.58 30.32 1kyx s HIS 24 CO -0.04 0.18 1.11 0.00 -2.00 0.00 0.00 174.74 173.99 1kyx s ALA 25 N -1.85 2.99 -0.32 -1.38 0.00 -0.47 -1.22 121.76 119.51 1kyx s ALA 25 Ca 0.08 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 50.89 1kyx s ALA 25 Cb -0.07 -2.53 0.06 0.00 0.00 0.00 0.00 23.12 20.59 1kyx s ALA 25 CO 0.04 -1.69 0.89 0.54 0.00 0.00 0.00 175.76 175.54 1kyx n ARG 26 N -3.17 1.57 -2.64 0.00 1.74 -0.20 -4.79 116.66 109.17 1kyx n ARG 26 Ca 0.12 -1.28 -0.41 0.00 -0.77 0.00 0.00 57.85 55.51 1kyx n ARG 26 Cb 0.60 -1.07 -0.05 0.00 -1.02 0.00 0.00 32.46 30.92 1kyx n ARG 26 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1kyx s TRP 27 N -0.71 3.78 -1.14 -1.55 0.52 -1.21 -3.61 118.94 115.02 1kyx s TRP 27 Ca 0.06 1.77 -0.01 0.00 0.02 0.00 0.00 56.10 57.93 1kyx s TRP 27 Cb 0.03 -3.12 0.00 0.00 -1.15 0.00 0.00 33.47 29.23 1kyx s TRP 27 CO 0.04 -0.04 0.95 0.09 0.02 0.00 0.00 176.95 178.02 1kyx n ASN 28 N 2.10 -2.49 -0.12 2.95 5.03 -1.26 -4.56 115.26 116.91 1kyx n ASN 28 Ca 0.01 -0.57 0.17 0.00 0.87 0.00 0.00 54.58 55.06 1kyx n ASN 28 Cb 0.47 -4.81 0.56 0.00 -1.02 0.00 0.00 39.78 34.98 1kyx n ASN 28 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1kyx h LEU 29 N -1.86 0.27 -2.31 3.41 3.38 -1.92 -1.37 115.31 114.91 1kyx h LEU 29 Ca -0.55 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 1kyx h LEU 29 Cb 1.32 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1kyx h LEU 29 CO 0.47 0.14 -0.04 0.06 0.09 0.00 0.00 178.44 179.16 1kyx h GLN 30 N 0.29 0.00 0.08 1.13 3.07 -1.93 -1.78 115.11 115.98 1kyx h GLN 30 Ca 0.34 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.73 1kyx h GLN 30 Cb 0.91 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.44 1kyx h GLN 30 CO -0.08 0.04 -1.96 0.00 0.09 0.00 0.00 178.83 176.92 1kyx n ALA 31 N -2.28 1.08 0.32 0.06 0.00 -0.55 -4.44 120.51 114.71 1kyx n ALA 31 Ca -0.02 -0.68 -0.17 0.00 0.00 0.00 0.00 53.44 52.57 1kyx n ALA 31 Cb 0.14 -0.69 -0.09 0.00 0.00 0.00 0.00 19.45 18.82 1kyx n ALA 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1kyx h ILE 32 N 0.05 0.36 -0.38 0.00 1.08 -1.01 -3.18 117.51 114.43 1kyx h ILE 32 Ca -0.40 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.14 1kyx h ILE 32 Cb 2.03 0.36 -0.09 0.00 -3.07 0.00 0.00 36.82 36.05 1kyx h ILE 32 CO 0.08 0.00 -0.44 -0.33 -0.69 0.00 0.00 178.15 176.77 1kyx h GLU 33 N -0.82 -0.33 -0.82 2.37 5.08 -1.57 -0.72 114.58 117.77 1kyx h GLU 33 Ca -0.07 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.46 1kyx h GLU 33 Cb 0.65 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.88 1kyx h GLU 33 CO 0.10 -0.22 0.40 -1.35 -1.00 0.00 0.00 179.01 176.93 1kyx h PRO 34 N -0.35 0.56 0.11 2.33 0.11 -1.77 -0.31 132.00 132.67 1kyx h PRO 34 Ca 0.13 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1kyx h PRO 34 Cb 0.59 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 1kyx h PRO 34 CO -0.56 0.37 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.47 1kyx h LEU 35 N 0.57 -0.15 -0.03 2.35 3.38 -1.18 0.45 115.31 120.71 1kyx h LEU 35 Ca 0.45 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1kyx h LEU 35 Cb 0.65 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1kyx h LEU 35 CO -0.37 -0.10 0.01 0.58 0.09 0.00 0.00 178.44 178.64 1kyx h VAL 36 N -0.16 0.99 -0.47 1.22 2.07 -0.59 -1.35 116.25 117.96 1kyx h VAL 36 Ca -0.01 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.59 1kyx h VAL 36 Cb 0.13 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 1kyx h VAL 36 CO 0.02 0.00 0.04 0.50 0.02 0.00 0.00 177.57 178.14 1kyx h LYS 37 N 0.02 0.15 -0.66 1.57 3.64 -0.95 0.13 116.57 120.46 1kyx h LYS 37 Ca 0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1kyx h LYS 37 Cb 0.01 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1kyx h LYS 37 CO -0.01 0.10 0.38 0.78 -2.27 0.00 0.00 179.45 178.43 1kyx h GLY 38 N 0.15 0.97 0.87 5.01 0.00 -0.67 0.12 103.07 109.53 1kyx h GLY 38 Ca 0.24 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1kyx h GLY 38 CO -0.36 0.40 -0.06 0.00 0.00 0.00 0.00 176.54 176.52 1kyx h ALA 39 N 1.19 -0.18 0.33 3.60 0.00 -0.24 -1.73 119.26 122.23 1kyx h ALA 39 Ca 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1kyx h ALA 39 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1kyx h ALA 39 CO -0.04 -0.54 -0.26 0.28 0.00 0.00 0.00 179.25 178.69 1kyx h VAL 40 N -0.31 0.45 -0.72 0.00 2.07 -0.55 -1.91 116.25 115.27 1kyx h VAL 40 Ca -0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.60 1kyx h VAL 40 Cb 0.25 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 1kyx h VAL 40 CO 0.03 0.00 0.36 -0.33 0.02 0.00 0.00 177.57 177.65 1kyx h GLU 41 N -0.60 0.59 -0.70 1.57 5.08 -0.77 -1.72 114.58 118.03 1kyx h GLU 41 Ca -0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1kyx h GLU 41 Cb 0.53 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1kyx h GLU 41 CO -0.01 0.39 0.40 1.15 -1.00 0.00 0.00 179.01 179.94 1kyx h THR 42 N 0.61 1.21 -0.31 1.13 2.02 -1.14 0.11 112.91 116.55 1kyx h THR 42 Ca 0.36 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1kyx h THR 42 Cb 0.39 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1kyx h THR 42 CO -0.27 0.22 0.10 0.24 0.37 0.00 0.00 175.52 176.18 1kyx h MET 43 N 0.95 0.47 0.24 6.66 2.86 -0.61 -1.40 114.93 124.11 1kyx h MET 43 Ca 0.25 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1kyx h MET 43 Cb 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1kyx h MET 43 CO -0.04 0.51 -0.12 0.82 1.06 0.00 0.00 176.91 179.14 1kyx h ILE 44 N 0.34 0.72 0.00 -1.22 2.04 -1.18 -1.28 117.51 116.93 1kyx h ILE 44 Ca 0.10 -0.87 -0.08 0.00 1.00 0.00 0.00 64.86 65.00 1kyx h ILE 44 Cb 0.23 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1kyx h ILE 44 CO -0.00 0.16 -0.39 -0.33 0.00 0.00 0.00 178.15 177.58 1kyx h GLU 45 N -0.84 0.00 0.00 2.37 5.08 -0.86 -2.77 114.58 117.56 1kyx h GLU 45 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1kyx h GLU 45 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1kyx h GLU 45 CO 0.05 0.39 -0.54 1.63 -1.00 0.00 0.00 179.01 179.54 1kyx n LYS 46 N -3.55 3.76 0.00 2.33 5.02 -0.53 -4.70 118.16 120.49 1kyx n LYS 46 Ca -0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1kyx n LYS 46 Cb 0.52 -0.87 0.00 0.00 -0.02 0.00 0.00 35.03 34.66 1kyx n LYS 46 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1kyx n HIS 47 N -1.29 0.00 -2.75 2.13 8.25 -0.53 -4.83 115.22 116.19 1kyx n HIS 47 Ca 0.01 -0.15 -0.22 0.00 -0.26 0.00 0.00 57.72 57.10 1kyx n HIS 47 Cb 0.11 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.22 1kyx n HIS 47 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1kyx n ASP 48 N -0.15 -6.01 -4.75 0.41 10.43 -0.96 -0.66 116.55 114.85 1kyx n ASP 48 Ca 0.00 -0.17 -0.40 0.00 2.57 0.00 0.00 54.79 56.79 1kyx n ASP 48 Cb 0.17 -4.91 -0.06 0.00 1.84 0.00 0.00 41.12 38.16 1kyx n ASP 48 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1kyx s VAL 49 N -3.12 4.10 -0.03 2.53 1.01 -0.89 -3.36 120.40 120.64 1kyx s VAL 49 Ca 0.18 2.04 -0.23 0.00 0.00 0.00 0.00 61.98 63.96 1kyx s VAL 49 Cb -0.08 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1kyx s VAL 49 CO 0.22 0.49 0.70 -0.54 0.00 0.00 0.00 175.10 175.97 1kyx s LYS 50 N -1.21 4.44 0.40 2.72 1.02 -1.26 -4.20 119.74 121.63 1kyx s LYS 50 Ca 0.41 0.91 0.20 0.00 0.02 0.00 0.00 55.97 57.51 1kyx s LYS 50 Cb -0.25 -3.41 1.18 0.00 -0.52 0.00 0.00 37.83 34.82 1kyx s LYS 50 CO 0.31 0.15 1.71 1.25 -0.92 0.00 0.00 175.35 177.86 1kyx h LEU 51 N 6.37 0.41 -1.38 3.17 6.46 -1.96 0.30 115.31 128.69 1kyx h LEU 51 Ca -0.42 0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.44 1kyx h LEU 51 Cb 1.20 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.19 1kyx h LEU 51 CO 0.74 -0.02 -0.09 -0.33 -0.62 0.00 0.00 178.44 178.12 1kyx h GLU 52 N 0.31 0.00 -0.34 1.25 3.07 -2.00 -2.95 114.58 113.92 1kyx h GLU 52 Ca 0.68 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.54 1kyx h GLU 52 Cb 1.81 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.72 1kyx h GLU 52 CO -0.39 0.09 0.00 0.09 -1.40 0.00 0.00 179.01 177.40 1kyx n ASN 53 N -3.23 1.78 -4.14 1.42 3.02 0.11 -4.78 115.26 109.45 1kyx n ASN 53 Ca 0.00 -2.01 -0.34 0.00 -0.03 0.00 0.00 54.58 52.21 1kyx n ASN 53 Cb 0.34 -0.23 -0.14 0.00 -0.61 0.00 0.00 39.78 39.15 1kyx n ASN 53 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1kyx s ILE 54 N -1.56 2.67 -0.09 2.41 1.01 -1.12 -1.01 121.20 123.51 1kyx s ILE 54 Ca 0.22 -1.46 -0.17 0.00 0.00 0.00 0.00 60.65 59.25 1kyx s ILE 54 Cb 0.12 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 1kyx s ILE 54 CO 0.15 -0.06 0.43 -1.81 0.00 0.00 0.00 174.94 173.65 1kyx s ASP 55 N 1.20 6.68 -0.19 3.58 -0.00 -0.31 -4.99 116.67 122.64 1kyx s ASP 55 Ca -0.06 0.81 0.01 0.00 -0.00 0.00 0.00 52.55 53.31 1kyx s ASP 55 Cb -0.20 -2.26 0.03 0.00 -0.00 0.00 0.00 42.92 40.49 1kyx s ASP 55 CO -0.03 0.11 -0.16 -0.63 -0.00 0.00 0.00 175.17 174.46 1kyx s ILE 56 N 0.13 1.95 0.30 0.77 1.01 -1.26 -0.26 121.20 123.85 1kyx s ILE 56 Ca 0.24 -1.02 0.07 0.00 0.00 0.00 0.00 60.65 59.94 1kyx s ILE 56 Cb -0.15 -1.85 -0.06 0.00 0.01 0.00 0.00 42.46 40.40 1kyx s ILE 56 CO 0.10 0.38 -0.06 -1.61 0.00 0.00 0.00 174.94 173.75 1kyx s GLU 57 N 1.30 1.64 0.08 2.79 2.02 0.23 -4.99 118.70 121.76 1kyx s GLU 57 Ca 0.02 -1.85 0.01 0.00 0.02 0.00 0.00 54.97 53.17 1kyx s GLU 57 Cb -0.15 -1.30 -0.04 0.00 0.10 0.00 0.00 34.13 32.75 1kyx s GLU 57 CO -0.11 0.05 -0.05 -1.54 0.02 0.00 0.00 175.26 173.63 1kyx s SER 58 N -3.50 0.85 0.13 -0.19 1.04 -1.26 -1.68 113.70 109.09 1kyx s SER 58 Ca 0.31 -1.00 0.01 0.00 0.48 0.00 0.00 55.95 55.75 1kyx s SER 58 Cb 0.04 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 1kyx s SER 58 CO 0.14 -0.52 -0.00 0.68 0.98 0.00 0.00 173.24 174.51 1kyx s VAL 59 N -3.72 0.48 0.01 5.02 -7.23 -0.36 -4.91 120.40 109.69 1kyx s VAL 59 Ca 0.09 -1.93 -0.03 0.00 -1.81 0.00 0.00 61.98 58.30 1kyx s VAL 59 Cb 0.06 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 1kyx s VAL 59 CO -0.07 -0.62 1.04 -0.65 -0.31 0.00 0.00 175.10 174.50 1kyx h PRO 60 N 2.85 -0.08 -5.13 4.82 0.11 -1.94 -2.29 132.00 130.35 1kyx h PRO 60 Ca -0.36 0.01 -0.61 0.00 0.11 0.00 0.00 66.00 65.15 1kyx h PRO 60 Cb 1.19 0.02 -0.13 0.00 0.11 0.00 0.00 31.00 32.18 1kyx h PRO 60 CO 0.63 -0.05 -0.52 0.20 -0.21 0.00 0.00 178.00 178.04 1kyx s GLY 61 N -1.09 2.76 0.57 -0.55 0.00 -1.26 -1.04 107.32 106.72 1kyx s GLY 61 Ca -0.01 -0.95 0.27 0.00 0.00 0.00 0.00 44.72 44.02 1kyx s GLY 61 CO 0.05 -1.99 2.19 1.76 0.00 0.00 0.00 173.10 175.11 1kyx h SER 62 N 1.62 0.00 -0.47 1.64 0.02 -1.92 -1.66 113.55 112.78 1kyx h SER 62 Ca -0.39 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.52 1kyx h SER 62 Cb 1.29 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.80 1kyx h SER 62 CO 0.65 0.00 0.16 -0.25 -1.14 0.00 0.00 176.83 176.25 1kyx h TRP 63 N 0.00 0.79 0.00 3.45 2.91 -1.95 -2.47 115.95 118.68 1kyx h TRP 63 Ca 0.03 -0.06 0.00 0.00 1.13 0.00 0.00 58.89 59.99 1kyx h TRP 63 Cb 0.16 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 28.58 1kyx h TRP 63 CO 0.00 0.65 0.00 0.39 -1.03 0.00 0.00 178.44 178.45 1kyx n GLU 64 N -4.30 0.07 0.06 2.65 4.71 -0.63 -4.19 120.64 119.01 1kyx n GLU 64 Ca 0.04 0.10 -0.13 0.00 -0.01 0.00 0.00 57.16 57.17 1kyx n GLU 64 Cb 0.20 -1.59 -0.06 0.00 -1.01 0.00 0.00 31.44 28.98 1kyx n GLU 64 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1kyx h LEU 65 N 0.00 -1.12 -0.97 -4.62 5.85 -1.43 0.21 115.31 113.24 1kyx h LEU 65 Ca 0.00 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1kyx h LEU 65 Cb 0.52 0.44 -0.06 0.00 0.37 0.00 0.00 40.66 41.93 1kyx h LEU 65 CO 0.00 -0.42 0.63 -0.65 -0.34 0.00 0.00 178.44 177.66 1kyx h PRO 66 N -0.53 1.18 -0.31 5.25 0.11 -1.77 -1.21 132.00 134.72 1kyx h PRO 66 Ca 0.06 -0.07 -0.17 0.00 0.11 0.00 0.00 66.00 65.92 1kyx h PRO 66 Cb 0.61 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 1kyx h PRO 66 CO -0.29 0.78 -0.49 1.96 -0.21 0.00 0.00 178.00 179.74 1kyx h GLN 67 N 1.21 0.85 -0.50 1.05 4.20 -1.73 -1.90 115.11 118.28 1kyx h GLN 67 Ca 0.39 -0.50 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 1kyx h GLN 67 Cb 0.02 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1kyx h GLN 67 CO -0.13 1.14 0.14 0.78 -0.67 0.00 0.00 178.83 180.09 1kyx h GLY 68 N 0.78 0.86 1.01 3.46 0.00 -0.23 -2.00 103.07 106.95 1kyx h GLY 68 Ca 0.03 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 1kyx h GLY 68 CO 0.11 0.49 0.22 -2.22 0.00 0.00 0.00 176.54 175.13 1kyx h ILE 69 N 0.69 1.24 -0.15 2.60 2.04 -1.18 -1.98 117.51 120.77 1kyx h ILE 69 Ca 0.16 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1kyx h ILE 69 Cb 0.31 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1kyx h ILE 69 CO -0.00 0.31 0.07 -0.09 0.00 0.00 0.00 178.15 178.44 1kyx h ARG 70 N 0.89 0.22 -0.51 2.37 2.43 -1.21 -0.91 114.38 117.66 1kyx h ARG 70 Ca 0.20 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1kyx h ARG 70 Cb 0.26 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1kyx h ARG 70 CO -0.01 0.27 0.27 0.00 -1.51 0.00 0.00 179.97 178.99 1kyx h ALA 71 N 0.94 0.66 -0.40 2.80 0.00 -1.28 -2.58 119.26 119.39 1kyx h ALA 71 Ca 0.05 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1kyx h ALA 71 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1kyx h ALA 71 CO -0.01 -0.06 -0.22 0.77 0.00 0.00 0.00 179.25 179.74 1kyx h SER 72 N 0.53 0.89 0.52 0.00 0.02 -1.13 -2.86 113.55 111.53 1kyx h SER 72 Ca 0.22 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1kyx h SER 72 Cb 0.10 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1kyx h SER 72 CO -0.14 1.11 0.00 2.30 -1.14 0.00 0.00 176.83 178.96 1kyx n ILE 73 N -4.21 0.28 0.05 3.27 -5.35 -0.37 -2.03 119.36 111.01 1kyx n ILE 73 Ca -0.01 0.07 -0.01 0.00 -0.27 0.00 0.00 62.75 62.52 1kyx n ILE 73 Cb 0.44 -0.67 -0.07 0.00 -1.74 0.00 0.00 39.64 37.60 1kyx n ILE 73 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kyx h ALA 74 N 3.06 0.64 0.00 -1.28 0.00 -1.24 -3.39 119.26 117.05 1kyx h ALA 74 Ca 0.00 -0.84 -0.06 0.00 0.00 0.00 0.00 54.91 54.01 1kyx h ALA 74 Cb 0.26 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1kyx h ALA 74 CO 0.00 0.98 -0.52 0.00 0.00 0.00 0.00 179.25 179.71 1kyx h ARG 75 N 0.00 0.00 -5.97 0.00 3.08 -1.30 -3.49 114.38 106.70 1kyx h ARG 75 Ca -0.12 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.37 1kyx h ARG 75 Cb 1.62 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.61 1kyx h ARG 75 CO 0.07 0.42 -0.35 -0.80 -1.07 0.00 0.00 179.97 178.23 1kyx s ASN 76 N -6.06 4.68 -0.21 7.04 0.01 -0.86 -5.12 114.94 114.42 1kyx s ASN 76 Ca -0.16 -1.11 -0.05 0.00 -0.71 0.00 0.00 52.86 50.83 1kyx s ASN 76 Cb 0.02 0.05 -0.02 0.00 0.41 0.00 0.00 41.25 41.71 1kyx s ASN 76 CO 0.34 -0.91 -0.01 -0.89 -1.51 0.00 0.00 177.10 174.12 1kyx s THR 77 N -2.68 3.78 0.15 1.60 2.01 -1.26 -4.54 115.64 114.71 1kyx s THR 77 Ca 0.38 -0.37 0.08 0.00 0.31 0.00 0.00 61.69 62.10 1kyx s THR 77 Cb -0.01 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1kyx s THR 77 CO 0.23 0.42 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.09 1kyx s TYR 78 N 1.15 1.77 -0.15 4.92 2.02 -1.26 -4.89 117.35 120.91 1kyx s TYR 78 Ca 0.02 -0.47 0.20 0.00 -0.37 0.00 0.00 57.07 56.45 1kyx s TYR 78 Cb -0.14 -0.90 -0.12 0.00 -0.40 0.00 0.00 41.96 40.39 1kyx s TYR 78 CO 0.01 0.30 0.81 -0.25 -1.57 0.00 0.00 175.55 174.84 1kyx n ASP 79 N 0.39 0.68 -3.50 2.29 9.92 0.19 -4.97 116.55 121.56 1kyx n ASP 79 Ca -0.14 0.28 -0.16 0.00 -0.53 0.00 0.00 54.79 54.24 1kyx n ASP 79 Cb 0.57 0.59 -0.05 0.00 -0.64 0.00 0.00 41.12 41.59 1kyx n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kyx s ALA 80 N -3.15 -1.74 0.03 2.24 0.00 -1.23 -4.27 121.76 113.64 1kyx s ALA 80 Ca -0.03 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.08 1kyx s ALA 80 Cb 0.10 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 1kyx s ALA 80 CO 0.82 -0.48 -0.13 0.08 0.00 0.00 0.00 175.76 176.05 1kyx s VAL 81 N -1.91 1.01 -0.15 0.00 1.01 -0.39 -1.62 120.40 118.34 1kyx s VAL 81 Ca -0.07 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1kyx s VAL 81 Cb -0.00 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.49 1kyx s VAL 81 CO 0.03 0.04 -0.17 -0.63 0.00 0.00 0.00 175.10 174.37 1kyx s ILE 82 N -0.74 1.75 -0.26 2.22 1.01 -0.13 -0.13 121.20 124.92 1kyx s ILE 82 Ca 0.01 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 59.82 1kyx s ILE 82 Cb -0.07 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 1kyx s ILE 82 CO 0.01 0.49 0.14 -0.83 0.00 0.00 0.00 174.94 174.74 1kyx s GLY 83 N 1.29 1.87 -0.12 6.18 0.00 -0.80 -1.71 107.32 114.03 1kyx s GLY 83 Ca 0.02 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 43.69 1kyx s GLY 83 CO -0.09 0.56 -0.21 -0.42 0.00 0.00 0.00 173.10 172.94 1kyx s ILE 84 N 1.58 2.31 0.19 0.90 1.01 -0.38 -0.19 121.20 126.63 1kyx s ILE 84 Ca 0.07 -0.92 -0.21 0.00 0.00 0.00 0.00 60.65 59.59 1kyx s ILE 84 Cb -0.15 -1.92 0.05 0.00 0.01 0.00 0.00 42.46 40.44 1kyx s ILE 84 CO 0.07 0.55 0.58 -0.83 0.00 0.00 0.00 174.94 175.31 1kyx s GLY 85 N 0.49 -0.36 -0.16 6.18 0.00 -0.61 -1.37 107.32 111.49 1kyx s GLY 85 Ca -0.14 0.11 -0.03 0.00 0.00 0.00 0.00 44.72 44.67 1kyx s GLY 85 CO 0.05 -0.04 0.03 0.14 0.00 0.00 0.00 173.10 173.29 1kyx s VAL 86 N -3.82 0.42 -0.20 1.40 1.01 -1.26 -1.20 120.40 116.76 1kyx s VAL 86 Ca 0.05 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 1kyx s VAL 86 Cb -0.02 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1kyx s VAL 86 CO -0.07 -0.08 0.03 -0.76 0.00 0.00 0.00 175.10 174.22 1kyx s LEU 87 N 1.92 3.49 -0.11 3.92 1.43 0.13 -4.80 118.68 124.65 1kyx s LEU 87 Ca 0.01 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1kyx s LEU 87 Cb -0.16 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1kyx s LEU 87 CO -0.07 0.10 -0.14 -0.63 0.23 0.00 0.00 176.35 175.83 1kyx s ILE 88 N 0.81 2.98 0.15 -0.59 1.01 -1.26 -1.56 121.20 122.73 1kyx s ILE 88 Ca 0.02 -0.70 -0.32 0.00 0.00 0.00 0.00 60.65 59.65 1kyx s ILE 88 Cb -0.14 -2.23 -0.11 0.00 0.01 0.00 0.00 42.46 39.99 1kyx s ILE 88 CO 0.02 0.54 1.80 1.17 0.00 0.00 0.00 174.94 178.47 1kyx n LYS 89 N 3.30 2.78 0.00 2.79 3.00 -0.40 -4.86 118.16 124.76 1kyx n LYS 89 Ca -0.18 1.01 0.00 0.00 -0.00 0.00 0.00 58.31 59.14 1kyx n LYS 89 Cb 0.53 -2.89 0.00 0.00 0.00 0.00 0.00 35.03 32.67 1kyx n LYS 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1kyx n GLY 90 N 4.14 3.36 0.04 3.14 0.00 -1.26 -4.81 105.19 109.79 1kyx n GLY 90 Ca 0.17 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.46 1kyx n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kyx n SER 91 N 0.00 0.55 -2.85 1.61 7.64 -1.26 -4.93 113.62 114.38 1kyx n SER 91 Ca 0.00 0.06 -0.08 0.00 1.01 0.00 0.00 58.87 59.86 1kyx n SER 91 Cb 0.00 0.05 -0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1kyx n SER 91 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1kyx n THR 92 N -1.83 0.00 1.31 0.44 -2.24 -1.26 -5.02 114.28 105.68 1kyx n THR 92 Ca 0.05 -0.67 0.12 0.00 -2.27 0.00 0.00 64.05 61.28 1kyx n THR 92 Cb 0.39 -0.27 0.43 0.00 -2.10 0.00 0.00 70.33 68.78 1kyx n THR 92 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1kyx n MET 93 N -0.80 1.74 -0.20 -0.78 0.00 -1.26 -4.33 117.12 111.48 1kyx n MET 93 Ca -0.02 -1.10 0.01 0.00 0.00 0.00 0.00 57.70 56.59 1kyx n MET 93 Cb 0.19 -1.44 0.11 0.00 0.00 0.00 0.00 33.22 32.08 1kyx n MET 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1kyx h HIS 94 N 2.43 0.13 -0.67 2.03 -0.00 -1.97 -1.68 115.15 115.43 1kyx h HIS 94 Ca 0.00 0.04 0.11 0.00 -0.00 0.00 0.00 60.37 60.52 1kyx h HIS 94 Cb 0.52 0.03 -0.08 0.00 -0.00 0.00 0.00 27.41 27.89 1kyx h HIS 94 CO 0.06 -0.08 0.26 0.35 -0.00 0.00 0.00 177.93 178.52 1kyx h PHE 95 N 0.21 0.45 -0.26 5.26 3.57 -1.89 -0.90 116.94 123.38 1kyx h PHE 95 Ca 0.32 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 1kyx h PHE 95 Cb 0.50 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1kyx h PHE 95 CO -0.28 0.09 -0.00 0.93 -2.23 0.00 0.00 178.31 176.82 1kyx h GLU 96 N 0.43 0.45 -0.17 1.11 3.07 -1.63 -2.26 114.58 115.59 1kyx h GLU 96 Ca 0.35 -0.15 -0.19 0.00 -0.50 0.00 0.00 59.36 58.87 1kyx h GLU 96 Cb 0.47 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1kyx h GLU 96 CO -0.34 0.62 -0.68 1.88 -1.40 0.00 0.00 179.01 179.10 1kyx h TYR 97 N 0.23 0.87 -0.32 4.33 0.05 -1.21 -2.56 116.97 118.36 1kyx h TYR 97 Ca 0.07 -0.35 -0.09 0.00 0.05 0.00 0.00 58.73 58.41 1kyx h TYR 97 Cb 0.42 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 1kyx h TYR 97 CO 0.04 1.15 -0.16 0.82 -1.05 0.00 0.00 178.16 178.95 1kyx h ILE 98 N 0.48 1.29 -0.13 -2.88 2.04 -1.23 -1.60 117.51 115.47 1kyx h ILE 98 Ca -0.02 -1.27 0.03 0.00 1.00 0.00 0.00 64.86 64.60 1kyx h ILE 98 Cb 1.27 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.74 1kyx h ILE 98 CO 0.13 0.41 -0.09 0.28 0.00 0.00 0.00 178.15 178.88 1kyx h SER 99 N 0.45 -0.29 -0.42 1.72 0.02 -1.44 0.27 113.55 113.85 1kyx h SER 99 Ca 0.07 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1kyx h SER 99 Cb 0.69 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 1kyx h SER 99 CO 0.05 -0.12 0.20 -0.08 -1.14 0.00 0.00 176.83 175.74 1kyx h GLU 100 N -0.09 0.61 -0.36 3.45 4.81 -1.42 -1.91 114.58 119.68 1kyx h GLU 100 Ca 0.08 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 1kyx h GLU 100 Cb 0.21 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1kyx h GLU 100 CO -0.19 0.53 -0.23 0.00 -0.73 0.00 0.00 179.01 178.40 1kyx h ALA 101 N 1.05 0.94 -0.37 2.92 0.00 -0.85 -2.27 119.26 120.67 1kyx h ALA 101 Ca 0.14 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 1kyx h ALA 101 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1kyx h ALA 101 CO -0.02 0.61 -0.25 0.28 0.00 0.00 0.00 179.25 179.87 1kyx h VAL 102 N 0.61 1.28 -0.42 0.00 2.07 -0.36 -0.69 116.25 118.73 1kyx h VAL 102 Ca 0.09 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.17 1kyx h VAL 102 Cb 0.71 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1kyx h VAL 102 CO 0.05 0.47 0.15 0.58 0.02 0.00 0.00 177.57 178.84 1kyx h VAL 103 N 0.62 1.21 -0.73 2.57 2.07 -1.30 0.27 116.25 120.97 1kyx h VAL 103 Ca 0.07 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 1kyx h VAL 103 Cb 0.82 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1kyx h VAL 103 CO 0.07 0.24 0.28 -0.74 0.02 0.00 0.00 177.57 177.44 1kyx h HIS 104 N 0.54 1.12 -0.38 1.57 6.17 -1.37 -2.48 115.15 120.32 1kyx h HIS 104 Ca 0.14 -0.09 -0.01 0.00 0.71 0.00 0.00 60.37 61.11 1kyx h HIS 104 Cb 0.23 -0.33 -0.02 0.00 2.52 0.00 0.00 27.41 29.81 1kyx h HIS 104 CO 0.01 0.87 0.18 0.78 0.71 0.00 0.00 177.93 180.47 1kyx h GLY 105 N 1.05 0.58 1.17 5.26 0.00 -0.68 -0.47 103.07 109.98 1kyx h GLY 105 Ca 0.24 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 1kyx h GLY 105 CO -0.02 0.28 0.28 1.41 0.00 0.00 0.00 176.54 178.49 1kyx h LEU 106 N 0.47 0.97 -0.51 3.11 3.38 -0.84 -1.35 115.31 120.54 1kyx h LEU 106 Ca 0.13 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1kyx h LEU 106 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1kyx h LEU 106 CO -0.02 0.87 0.07 -0.03 0.09 0.00 0.00 178.44 179.42 1kyx h MET 107 N 1.03 0.86 -0.63 1.13 4.05 -1.22 -2.69 114.93 117.46 1kyx h MET 107 Ca 0.24 -0.24 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 1kyx h MET 107 Cb 0.21 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.88 1kyx h MET 107 CO -0.02 0.85 0.21 -0.09 0.23 0.00 0.00 176.91 178.10 1kyx h ARG 108 N 0.73 0.97 -0.43 0.39 2.43 -0.51 -1.71 114.38 116.25 1kyx h ARG 108 Ca 0.15 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 1kyx h ARG 108 Cb 0.42 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1kyx h ARG 108 CO 0.01 0.85 0.03 0.28 -1.51 0.00 0.00 179.97 179.63 1kyx h VAL 109 N 0.90 1.22 -0.21 0.20 2.07 -1.20 0.38 116.25 119.61 1kyx h VAL 109 Ca 0.21 -0.87 -0.14 0.00 0.82 0.00 0.00 66.70 66.71 1kyx h VAL 109 Cb 0.27 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1kyx h VAL 109 CO -0.01 0.31 -0.41 1.23 0.02 0.00 0.00 177.57 178.71 1kyx h GLY 110 N 0.92 0.70 1.95 2.17 0.00 -1.25 -2.17 103.07 105.39 1kyx h GLY 110 Ca 0.14 -0.83 -0.13 0.00 0.00 0.00 0.00 47.33 46.50 1kyx h GLY 110 CO 0.01 0.75 -0.62 1.41 0.00 0.00 0.00 176.54 178.09 1kyx h LEU 111 N 0.33 0.06 -0.15 3.11 3.38 -1.13 -0.15 115.31 120.76 1kyx h LEU 111 Ca 0.01 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1kyx h LEU 111 Cb 1.01 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1kyx h LEU 111 CO 0.09 0.66 -0.32 0.44 0.09 0.00 0.00 178.44 179.40 1kyx h ASP 112 N 0.04 0.54 0.99 -0.43 3.32 -0.93 -3.34 116.42 116.61 1kyx h ASP 112 Ca -0.01 -0.56 -0.18 0.00 0.02 0.00 0.00 57.03 56.30 1kyx h ASP 112 Cb 1.10 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 1kyx h ASP 112 CO 0.08 1.00 -1.07 0.77 -1.72 0.00 0.00 179.24 178.31 1kyx h SER 113 N 0.10 0.00 0.00 6.45 4.64 -1.40 -3.48 113.55 119.87 1kyx h SER 113 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kyx h SER 113 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1kyx h SER 113 CO 0.07 0.76 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 1kyx n GLY 114 N 1.36 0.92 3.72 -0.77 0.00 -0.07 -5.03 105.19 105.32 1kyx n GLY 114 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1kyx n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kyx s VAL 115 N -3.27 5.23 0.17 1.61 1.01 -1.20 -5.02 120.40 118.92 1kyx s VAL 115 Ca 0.00 0.79 -0.32 0.00 0.00 0.00 0.00 61.98 62.45 1kyx s VAL 115 Cb 0.00 -3.75 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 1kyx s VAL 115 CO 0.00 0.33 1.73 -2.84 0.00 0.00 0.00 175.10 174.33 1kyx s PRO 116 N 0.69 4.14 -0.26 2.72 0.02 -1.26 -4.48 135.00 136.57 1kyx s PRO 116 Ca 0.22 2.56 -0.01 0.00 0.02 0.00 0.00 61.00 63.79 1kyx s PRO 116 Cb -0.14 -3.26 0.04 0.00 0.02 0.00 0.00 34.50 31.15 1kyx s PRO 116 CO 0.08 -0.76 -0.06 0.08 -0.33 0.00 0.00 177.00 176.01 1kyx s VAL 117 N 1.70 2.76 0.01 3.83 1.01 -1.26 -1.27 120.40 127.18 1kyx s VAL 117 Ca 0.76 -1.23 -0.24 0.00 0.00 0.00 0.00 61.98 61.27 1kyx s VAL 117 Cb -0.47 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1kyx s VAL 117 CO 0.33 0.08 0.71 -0.63 0.00 0.00 0.00 175.10 175.59 1kyx s ILE 118 N 1.26 4.85 -0.55 2.22 1.09 0.82 -4.99 121.20 125.91 1kyx s ILE 118 Ca -0.03 1.50 -0.25 0.00 -1.10 0.00 0.00 60.65 60.77 1kyx s ILE 118 Cb -0.18 -4.06 0.04 0.00 -1.06 0.00 0.00 42.46 37.20 1kyx s ILE 118 CO -0.04 0.35 0.97 -0.22 -0.10 0.00 0.00 174.94 175.90 1kyx s LEU 119 N 0.13 4.02 -0.47 2.97 2.96 -1.26 -1.91 118.68 125.12 1kyx s LEU 119 Ca 0.37 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1kyx s LEU 119 Cb -0.19 -2.89 0.42 0.00 0.50 0.00 0.00 46.19 44.03 1kyx s LEU 119 CO 0.20 -1.25 1.23 0.61 -1.32 0.00 0.00 176.35 175.83 1kyx n GLY 120 N 5.10 6.01 3.42 7.98 0.00 0.74 -4.97 105.19 123.47 1kyx n GLY 120 Ca 0.03 -2.72 -0.35 0.00 0.00 0.00 0.00 46.02 42.98 1kyx n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kyx s LEU 121 N -3.61 3.19 -0.20 0.99 2.96 -1.24 -1.57 118.68 119.19 1kyx s LEU 121 Ca 0.49 -0.24 -0.09 0.00 -0.22 0.00 0.00 54.13 54.07 1kyx s LEU 121 Cb 0.41 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 45.24 1kyx s LEU 121 CO -0.18 0.05 0.12 -0.76 -1.32 0.00 0.00 176.35 174.26 1kyx s LEU 122 N 1.10 4.10 -0.60 -0.68 1.43 -0.34 -4.96 118.68 118.72 1kyx s LEU 122 Ca 0.02 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.33 1kyx s LEU 122 Cb -0.14 -2.06 0.15 0.00 0.03 0.00 0.00 46.19 44.16 1kyx s LEU 122 CO 0.01 0.15 0.37 0.42 0.23 0.00 0.00 176.35 177.53 1kyx s THR 123 N 0.51 2.78 0.31 5.49 -4.23 -1.26 -0.70 115.64 118.54 1kyx s THR 123 Ca 0.07 -3.71 0.08 0.00 -1.18 0.00 0.00 61.69 56.95 1kyx s THR 123 Cb -0.12 -2.88 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 1kyx s THR 123 CO -0.00 -0.89 0.20 0.68 -0.54 0.00 0.00 174.62 174.07 1kyx s VAL 124 N -0.77 3.57 -0.17 2.29 -7.23 -0.60 -5.01 120.40 112.48 1kyx s VAL 124 Ca 0.20 -1.53 0.17 0.00 -1.81 0.00 0.00 61.98 59.01 1kyx s VAL 124 Cb -0.17 -3.14 0.02 0.00 0.56 0.00 0.00 36.38 33.65 1kyx s VAL 124 CO -0.07 -0.23 1.24 -0.07 -0.31 0.00 0.00 175.10 175.66 1kyx h LEU 125 N 1.45 0.00 -7.70 1.32 3.38 -1.92 -1.06 115.31 110.77 1kyx h LEU 125 Ca -0.45 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1kyx h LEU 125 Cb 1.25 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.91 1kyx h LEU 125 CO 0.60 0.46 0.08 0.54 0.09 0.00 0.00 178.44 180.21 1kyx s ASN 126 N -6.16 -0.28 0.23 -0.43 2.20 -1.26 -4.16 114.94 105.08 1kyx s ASN 126 Ca 0.02 -0.49 -0.06 0.00 -0.94 0.00 0.00 52.86 51.40 1kyx s ASN 126 Cb 0.08 0.61 0.41 0.00 -2.00 0.00 0.00 41.25 40.35 1kyx s ASN 126 CO 0.76 -1.11 1.73 -0.08 -2.94 0.00 0.00 177.10 175.47 1kyx h GLU 127 N 2.14 0.43 -0.34 3.55 4.57 -1.96 -2.63 114.58 120.33 1kyx h GLU 127 Ca -0.27 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 57.95 1kyx h GLU 127 Cb 1.26 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.70 1kyx h GLU 127 CO 0.34 0.28 -0.03 0.93 -1.18 0.00 0.00 179.01 179.35 1kyx h GLU 128 N 0.44 0.06 -0.78 1.92 3.07 -2.00 -1.51 114.58 115.78 1kyx h GLU 128 Ca 0.38 -0.00 0.13 0.00 -0.50 0.00 0.00 59.36 59.37 1kyx h GLU 128 Cb 0.55 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.40 1kyx h GLU 128 CO -0.38 0.04 0.51 1.96 -1.40 0.00 0.00 179.01 179.74 1kyx h GLN 129 N 0.06 0.52 -0.08 2.33 4.20 -1.89 -0.99 115.11 119.26 1kyx h GLN 129 Ca 0.16 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 1kyx h GLN 129 Cb 0.24 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1kyx h GLN 129 CO -0.31 0.35 -0.20 0.00 -0.67 0.00 0.00 178.83 178.00 1kyx h ALA 130 N 1.63 0.13 -0.38 3.87 0.00 -1.29 -2.98 119.26 120.24 1kyx h ALA 130 Ca 0.38 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1kyx h ALA 130 Cb 0.71 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1kyx h ALA 130 CO -0.14 0.08 0.04 -0.07 0.00 0.00 0.00 179.25 179.16 1kyx h LEU 131 N -0.21 0.55 -0.59 0.00 3.38 -0.66 -2.12 115.31 115.66 1kyx h LEU 131 Ca -0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1kyx h LEU 131 Cb 0.81 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1kyx h LEU 131 CO 0.04 0.59 0.32 0.22 0.09 0.00 0.00 178.44 179.71 1kyx h TYR 132 N 0.57 0.80 0.00 1.13 3.20 -1.24 -1.19 116.97 120.24 1kyx h TYR 132 Ca 0.12 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1kyx h TYR 132 Cb 0.30 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1kyx h TYR 132 CO 0.01 0.58 0.00 0.54 -1.64 0.00 0.00 178.16 177.65 1kyx n ARG 133 N -4.59 0.62 -0.24 1.82 1.74 -0.98 -2.24 116.66 112.79 1kyx n ARG 133 Ca 0.04 0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.24 1kyx n ARG 133 Cb 0.08 -1.50 0.25 0.00 -1.02 0.00 0.00 32.46 30.27 1kyx n ARG 133 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kyx n ALA 134 N -1.18 2.41 -0.38 7.54 0.00 -0.56 -1.45 120.51 126.88 1kyx n ALA 134 Ca 0.17 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1kyx n ALA 134 Cb 0.19 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1kyx n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kyx n GLY 135 N 1.56 0.72 3.96 0.00 0.00 -0.95 -4.58 105.19 105.91 1kyx n GLY 135 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1kyx n GLY 135 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kyx s LEU 136 N 0.00 3.30 -1.72 0.99 1.02 -0.57 -4.24 118.68 117.47 1kyx s LEU 136 Ca 0.00 0.11 -0.19 0.00 0.02 0.00 0.00 54.13 54.07 1kyx s LEU 136 Cb 0.00 -2.97 0.17 0.00 0.02 0.00 0.00 46.19 43.41 1kyx s LEU 136 CO 0.00 -1.10 0.78 0.59 0.02 0.00 0.00 176.35 176.64 1kyx n ASN 137 N -2.35 -3.23 0.00 2.29 3.02 -1.26 -1.46 115.26 112.27 1kyx n ASN 137 Ca 0.07 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 1kyx n ASN 137 Cb 0.59 -2.69 0.00 0.00 -0.61 0.00 0.00 39.78 37.08 1kyx n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kyx n GLY 138 N -1.37 0.96 3.95 7.41 0.00 -1.26 -4.99 105.19 109.88 1kyx n GLY 138 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1kyx n GLY 138 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kyx s GLY 139 N -1.65 1.75 -0.18 -0.02 0.00 -0.53 -5.07 107.32 101.61 1kyx s GLY 139 Ca 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 44.72 43.34 1kyx s GLY 139 CO 0.00 -0.65 0.19 -1.58 0.00 0.00 0.00 173.10 171.07 1kyx s HIS 140 N -3.53 3.44 -0.41 1.90 5.65 -1.21 -4.35 115.29 116.78 1kyx s HIS 140 Ca 0.68 0.44 -0.29 0.00 0.25 0.00 0.00 55.06 56.15 1kyx s HIS 140 Cb -0.06 -2.23 0.01 0.00 -1.18 0.00 0.00 32.58 29.12 1kyx s HIS 140 CO 0.49 0.28 1.47 1.21 -0.65 0.00 0.00 174.74 177.54 1kyx s ASN 141 N 0.36 6.25 0.56 9.88 3.84 -1.26 -3.63 114.94 130.94 1kyx s ASN 141 Ca 0.11 0.87 0.34 0.00 0.21 0.00 0.00 52.86 54.39 1kyx s ASN 141 Cb -0.12 -2.54 1.55 0.00 -0.55 0.00 0.00 41.25 39.59 1kyx s ASN 141 CO 0.00 -1.50 2.06 0.45 -2.79 0.00 0.00 177.10 175.33 1kyx h HIS 142 N 11.08 0.00 -0.26 0.43 3.86 -1.57 -2.47 115.15 126.22 1kyx h HIS 142 Ca -0.28 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 58.94 1kyx h HIS 142 Cb 1.11 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.57 1kyx h HIS 142 CO 0.97 0.04 0.17 0.78 0.86 0.00 0.00 177.93 180.76 1kyx h GLY 143 N 1.48 0.34 0.93 2.45 0.00 -1.80 -1.39 103.07 105.08 1kyx h GLY 143 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1kyx h GLY 143 CO 0.01 0.12 0.13 3.43 0.00 0.00 0.00 176.54 180.22 1kyx h ASN 144 N 0.32 0.37 -0.79 0.19 -0.26 -1.58 -0.09 115.58 113.73 1kyx h ASN 144 Ca 0.10 -0.14 0.01 0.00 -0.56 0.00 0.00 56.30 55.71 1kyx h ASN 144 Cb 0.02 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 37.14 1kyx h ASN 144 CO -0.02 0.41 0.52 0.44 -1.06 0.00 0.00 177.43 177.72 1kyx h ASP 145 N 0.31 0.90 -0.51 5.81 3.32 -1.43 -2.03 116.42 122.79 1kyx h ASP 145 Ca 0.10 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 1kyx h ASP 145 Cb 0.14 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1kyx h ASP 145 CO -0.01 0.65 -0.12 -0.50 -1.72 0.00 0.00 179.24 177.54 1kyx h TRP 146 N 1.06 1.12 -0.56 4.55 6.55 -0.88 -1.66 115.95 126.14 1kyx h TRP 146 Ca 0.29 -0.23 -0.01 0.00 0.95 0.00 0.00 58.89 59.89 1kyx h TRP 146 Cb -0.11 -0.28 -0.03 0.00 -0.86 0.00 0.00 29.16 27.89 1kyx h TRP 146 CO -0.00 1.05 0.33 0.78 -1.05 0.00 0.00 178.44 179.54 1kyx h GLY 147 N 0.94 0.82 1.41 1.49 0.00 -0.34 -0.80 103.07 106.58 1kyx h GLY 147 Ca 0.14 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.01 1kyx h GLY 147 CO 0.05 0.34 -0.18 1.76 0.00 0.00 0.00 176.54 178.51 1kyx h SER 148 N 0.75 0.69 -0.53 0.19 0.02 -1.26 -2.51 113.55 110.90 1kyx h SER 148 Ca 0.20 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 1kyx h SER 148 Cb 0.01 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1kyx h SER 148 CO -0.04 0.88 0.12 0.00 -1.14 0.00 0.00 176.83 176.65 1kyx h ALA 149 N 1.18 0.70 -0.25 3.77 0.00 -0.94 -1.29 119.26 122.44 1kyx h ALA 149 Ca 0.10 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1kyx h ALA 149 Cb 0.65 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1kyx h ALA 149 CO 0.05 0.41 0.04 0.00 0.00 0.00 0.00 179.25 179.75 1kyx h ALA 150 N 1.00 0.25 0.34 0.00 0.00 -0.94 -0.35 119.26 119.56 1kyx h ALA 150 Ca 0.17 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1kyx h ALA 150 Cb 0.35 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1kyx h ALA 150 CO 0.00 -0.38 -0.19 0.28 0.00 0.00 0.00 179.25 178.97 1kyx h VAL 151 N 0.13 0.61 -0.23 0.00 2.07 -1.22 0.12 116.25 117.73 1kyx h VAL 151 Ca 0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.69 1kyx h VAL 151 Cb 0.12 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1kyx h VAL 151 CO -0.15 0.00 -0.12 -0.08 0.02 0.00 0.00 177.57 177.23 1kyx h GLU 152 N -0.49 -0.09 0.00 1.57 4.81 -1.00 -1.29 114.58 118.08 1kyx h GLU 152 Ca -0.04 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1kyx h GLU 152 Cb 0.40 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1kyx h GLU 152 CO 0.06 -0.06 -0.27 0.52 -0.73 0.00 0.00 179.01 178.52 1kyx h MET 153 N -0.10 0.00 -0.29 1.92 2.86 -0.97 -0.99 114.93 117.37 1kyx h MET 153 Ca 0.13 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.67 1kyx h MET 153 Cb 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1kyx h MET 153 CO -0.30 0.27 -0.20 0.78 1.06 0.00 0.00 176.91 178.53 1kyx h GLY 154 N 0.88 0.70 0.93 8.32 0.00 -0.09 -2.97 103.07 110.84 1kyx h GLY 154 Ca -0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 47.33 46.58 1kyx h GLY 154 CO 0.04 0.60 -0.10 1.41 0.00 0.00 0.00 176.54 178.49 1kyx h LEU 155 N 0.38 0.66 0.00 3.11 3.38 -0.98 -2.80 115.31 119.06 1kyx h LEU 155 Ca 0.06 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1kyx h LEU 155 Cb 0.74 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1kyx h LEU 155 CO 0.05 0.89 0.00 0.29 0.09 0.00 0.00 178.44 179.76 1kyx n LYS 156 N -4.41 0.01 0.00 1.13 5.02 -0.40 0.38 118.16 119.90 1kyx n LYS 156 Ca -0.02 0.34 0.11 0.00 -2.02 0.00 0.00 58.31 56.71 1kyx n LYS 156 Cb 0.35 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.86 1kyx n LYS 156 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kyx n ALA 157 N -1.47 3.99 -0.50 7.82 0.00 -1.07 -5.08 120.51 124.20 1kyx n ALA 157 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1kyx n ALA 157 Cb 0.10 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1kyx n ALA 157 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78