#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kyx n ASP 12 N 0.00 1.84 -4.77 -3.46 2.03 -1.26 -4.95 116.55 105.98 1kyx n ASP 12 Ca 0.00 -1.94 -0.39 0.00 0.52 0.00 0.00 54.79 52.98 1kyx n ASP 12 Cb 0.00 -0.21 -0.00 0.00 -0.72 0.00 0.00 41.12 40.19 1kyx n ASP 12 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1kyx s LEU 13 N -1.12 4.13 -0.08 -2.67 1.43 -1.26 -5.04 118.68 114.08 1kyx s LEU 13 Ca 0.25 2.58 0.04 0.00 -1.03 0.00 0.00 54.13 55.97 1kyx s LEU 13 Cb 0.13 -4.01 -0.01 0.00 0.03 0.00 0.00 46.19 42.33 1kyx s LEU 13 CO 0.18 -0.93 -0.21 -0.54 0.23 0.00 0.00 176.35 175.08 1kyx s LYS 14 N -2.40 2.81 -0.46 1.70 -0.14 -1.26 -4.51 119.74 115.48 1kyx s LYS 14 Ca 0.60 -0.82 0.08 0.00 -1.36 0.00 0.00 55.97 54.47 1kyx s LYS 14 Cb -0.36 -2.32 0.29 0.00 -1.68 0.00 0.00 37.83 33.75 1kyx s LYS 14 CO 0.45 0.35 0.67 0.41 -0.76 0.00 0.00 175.35 176.47 1kyx n GLY 15 N 3.07 3.77 0.27 -3.33 0.00 0.34 -4.94 105.19 104.37 1kyx n GLY 15 Ca -0.18 -1.99 0.18 0.00 0.00 0.00 0.00 46.02 44.03 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 3.66 0.00 -0.05 1.61 0.13 -1.72 -2.62 132.00 133.00 1kyx h PRO 16 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1kyx h PRO 16 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1kyx h PRO 16 CO 0.59 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.75 1kyx n GLU 17 N -2.83 1.93 -2.37 0.86 1.02 -1.26 -4.46 120.64 113.52 1kyx n GLU 17 Ca -0.01 -1.77 -0.40 0.00 -0.02 0.00 0.00 57.16 54.96 1kyx n GLU 17 Cb 0.15 -1.40 -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 -1.71 4.46 -0.22 -4.62 1.43 -0.99 -5.03 118.68 112.00 1kyx s LEU 18 Ca 0.25 2.37 -0.04 0.00 -1.03 0.00 0.00 54.13 55.68 1kyx s LEU 18 Cb 0.18 -3.71 -0.01 0.00 0.03 0.00 0.00 46.19 42.68 1kyx s LEU 18 CO 0.26 -0.32 -0.02 -0.13 0.23 0.00 0.00 176.35 176.37 1kyx s ARG 19 N -1.68 3.44 -0.08 1.70 0.52 -1.26 -4.74 118.95 116.84 1kyx s ARG 19 Ca 0.48 -0.59 0.03 0.00 -0.52 0.00 0.00 55.73 55.13 1kyx s ARG 19 Cb -0.33 -3.06 -0.01 0.00 0.52 0.00 0.00 34.95 32.06 1kyx s ARG 19 CO 0.43 -0.17 -0.19 0.42 0.02 0.00 0.00 175.30 175.81 1kyx s ILE 20 N 1.44 2.62 -0.10 1.52 -1.09 -0.46 -0.33 121.20 124.81 1kyx s ILE 20 Ca 0.05 -0.85 -0.01 0.00 -2.23 0.00 0.00 60.65 57.61 1kyx s ILE 20 Cb -0.14 -2.02 -0.03 0.00 -1.58 0.00 0.00 42.46 38.68 1kyx s ILE 20 CO -0.02 0.56 -0.05 -0.22 -1.23 0.00 0.00 174.94 173.98 1kyx s LEU 21 N -0.10 3.23 -0.15 2.97 2.96 -0.67 -1.31 118.68 125.61 1kyx s LEU 21 Ca -0.04 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1kyx s LEU 21 Cb -0.14 -1.73 0.03 0.00 0.50 0.00 0.00 46.19 44.85 1kyx s LEU 21 CO 0.04 0.31 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.63 1kyx s ILE 22 N -0.48 1.44 -0.17 6.68 1.01 0.24 -0.97 121.20 128.96 1kyx s ILE 22 Ca 0.07 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 1kyx s ILE 22 Cb -0.12 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 40.94 1kyx s ILE 22 CO 0.02 0.38 -0.15 -0.69 0.00 0.00 0.00 174.94 174.50 1kyx s VAL 23 N 1.53 2.64 0.11 2.92 1.01 -0.83 -0.26 120.40 127.52 1kyx s VAL 23 Ca 0.04 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1kyx s VAL 23 Cb -0.13 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1kyx s VAL 23 CO -0.10 0.51 -0.16 -1.38 0.00 0.00 0.00 175.10 173.97 1kyx s HIS 24 N 1.01 1.48 0.72 5.22 -3.43 -0.67 -0.97 115.29 118.65 1kyx s HIS 24 Ca -0.02 -0.50 -0.06 0.00 -0.80 0.00 0.00 55.06 53.68 1kyx s HIS 24 Cb -0.15 -0.79 0.08 0.00 -1.43 0.00 0.00 32.58 30.30 1kyx s HIS 24 CO -0.03 0.16 1.03 0.00 -2.00 0.00 0.00 174.74 173.90 1kyx s ALA 25 N -1.75 3.18 -1.08 -1.38 0.00 -0.53 -1.52 121.76 118.68 1kyx s ALA 25 Ca 0.07 -1.09 0.09 0.00 0.00 0.00 0.00 51.96 51.03 1kyx s ALA 25 Cb -0.07 -2.50 0.11 0.00 0.00 0.00 0.00 23.12 20.66 1kyx s ALA 25 CO 0.03 -1.41 0.88 0.54 0.00 0.00 0.00 175.76 175.80 1kyx n ARG 26 N -2.97 0.82 -2.60 0.00 1.74 -0.23 -4.82 116.66 108.61 1kyx n ARG 26 Ca 0.10 -1.24 -0.40 0.00 -0.77 0.00 0.00 57.85 55.53 1kyx n ARG 26 Cb 0.60 -1.19 -0.05 0.00 -1.02 0.00 0.00 32.46 30.81 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 -0.82 3.73 -1.13 -1.55 0.52 -1.19 -3.54 118.94 114.95 1kyx s TRP 27 Ca 0.13 1.75 -0.03 0.00 0.02 0.00 0.00 56.10 57.97 1kyx s TRP 27 Cb 0.08 -3.16 0.00 0.00 -1.15 0.00 0.00 33.47 29.24 1kyx s TRP 27 CO 0.12 -0.17 0.96 0.09 0.02 0.00 0.00 176.95 177.97 1kyx n ASN 28 N 1.80 -3.34 -0.11 2.95 5.03 -1.26 -4.53 115.26 115.80 1kyx n ASN 28 Ca 0.00 -0.54 0.22 0.00 0.87 0.00 0.00 54.58 55.14 1kyx n ASN 28 Cb 0.46 -4.66 0.66 0.00 -1.02 0.00 0.00 39.78 35.22 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 -1.96 0.09 -2.16 3.41 3.38 -1.91 -0.93 115.31 115.22 1kyx h LEU 29 Ca -0.53 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 1kyx h LEU 29 Cb 1.32 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1kyx h LEU 29 CO 0.47 0.04 -0.01 0.06 0.09 0.00 0.00 178.44 179.09 1kyx h GLN 30 N 0.09 0.00 0.03 1.13 3.07 -1.93 -2.20 115.11 115.32 1kyx h GLN 30 Ca 0.35 0.00 -0.36 0.00 0.09 0.00 0.00 58.65 58.72 1kyx h GLN 30 Cb 1.24 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.75 1kyx h GLN 30 CO -0.04 0.01 -2.21 0.00 0.09 0.00 0.00 178.83 176.68 1kyx n ALA 31 N -2.10 1.32 0.15 0.06 0.00 -0.40 -4.50 120.51 115.04 1kyx n ALA 31 Ca -0.01 -0.97 -0.14 0.00 0.00 0.00 0.00 53.44 52.32 1kyx n ALA 31 Cb 0.20 -0.39 -0.07 0.00 0.00 0.00 0.00 19.45 19.20 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 0.02 0.59 -0.43 0.00 1.08 -1.07 -3.16 117.51 114.55 1kyx h ILE 32 Ca -0.49 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.06 1kyx h ILE 32 Cb 2.03 0.59 -0.09 0.00 -3.07 0.00 0.00 36.82 36.28 1kyx h ILE 32 CO 0.01 0.00 -0.38 -0.33 -0.69 0.00 0.00 178.15 176.76 1kyx h GLU 33 N -0.42 -0.27 -0.65 2.37 5.08 -1.64 -0.38 114.58 118.67 1kyx h GLU 33 Ca -0.01 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1kyx h GLU 33 Cb 0.38 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1kyx h GLU 33 CO -0.03 -0.18 0.43 -1.35 -1.00 0.00 0.00 179.01 176.89 1kyx h PRO 34 N -0.28 0.61 -0.19 2.33 0.11 -1.79 0.36 132.00 133.15 1kyx h PRO 34 Ca 0.16 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.20 1kyx h PRO 34 Cb 0.56 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1kyx h PRO 34 CO -0.57 0.40 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.53 1kyx h LEU 35 N 0.63 0.35 -0.29 2.35 3.38 -1.13 0.57 115.31 121.16 1kyx h LEU 35 Ca 0.29 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1kyx h LEU 35 Cb 0.32 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1kyx h LEU 35 CO -0.09 0.60 0.08 0.58 0.09 0.00 0.00 178.44 179.71 1kyx h VAL 36 N 0.09 1.21 -0.49 1.22 2.07 -0.54 -1.93 116.25 117.88 1kyx h VAL 36 Ca 0.05 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1kyx h VAL 36 Cb 0.43 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1kyx h VAL 36 CO 0.01 0.22 0.32 0.50 0.02 0.00 0.00 177.57 178.65 1kyx h LYS 37 N 0.31 0.63 -0.46 1.57 3.64 -0.90 -0.99 116.57 120.38 1kyx h LYS 37 Ca 0.09 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1kyx h LYS 37 Cb 0.26 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1kyx h LYS 37 CO -0.00 0.42 0.04 0.78 -2.27 0.00 0.00 179.45 178.42 1kyx h GLY 38 N 0.65 0.77 0.74 5.01 0.00 -0.75 -0.24 103.07 109.26 1kyx h GLY 38 Ca 0.18 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1kyx h GLY 38 CO -0.05 0.44 -0.05 0.00 0.00 0.00 0.00 176.54 176.88 1kyx h ALA 39 N 1.36 0.19 0.47 3.60 0.00 -0.92 -2.31 119.26 121.64 1kyx h ALA 39 Ca 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1kyx h ALA 39 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1kyx h ALA 39 CO 0.01 -0.03 -0.22 0.28 0.00 0.00 0.00 179.25 179.29 1kyx h VAL 40 N -0.05 0.54 -1.00 0.00 2.07 -0.97 -2.14 116.25 114.70 1kyx h VAL 40 Ca 0.03 -0.12 0.14 0.00 0.82 0.00 0.00 66.70 67.57 1kyx h VAL 40 Cb 0.51 0.59 -0.09 0.00 -1.52 0.00 0.00 31.29 30.78 1kyx h VAL 40 CO 0.02 0.02 0.62 -0.33 0.02 0.00 0.00 177.57 177.92 1kyx h GLU 41 N -0.69 0.90 -0.44 1.57 5.08 -1.11 -1.56 114.58 118.33 1kyx h GLU 41 Ca -0.06 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1kyx h GLU 41 Cb 0.51 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1kyx h GLU 41 CO 0.11 0.60 0.01 1.15 -1.00 0.00 0.00 179.01 179.88 1kyx h THR 42 N 0.93 1.26 -0.61 1.13 2.02 -1.25 0.39 112.91 116.78 1kyx h THR 42 Ca 0.52 -1.01 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 1kyx h THR 42 Cb 0.60 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1kyx h THR 42 CO -0.30 0.35 0.19 0.24 0.37 0.00 0.00 175.52 176.37 1kyx h MET 43 N 0.61 0.95 0.32 6.66 2.86 -0.70 -0.98 114.93 124.65 1kyx h MET 43 Ca 0.13 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1kyx h MET 43 Cb 0.47 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1kyx h MET 43 CO 0.02 0.85 -0.15 0.82 1.06 0.00 0.00 176.91 179.50 1kyx h ILE 44 N 0.87 0.44 -0.04 -1.22 2.04 -1.23 -1.48 117.51 116.91 1kyx h ILE 44 Ca 0.20 -0.77 -0.16 0.00 1.00 0.00 0.00 64.86 65.13 1kyx h ILE 44 Cb 0.29 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1kyx h ILE 44 CO -0.01 0.10 -0.68 -0.33 0.00 0.00 0.00 178.15 177.24 1kyx h GLU 45 N -0.98 0.17 0.00 2.37 5.08 -0.99 -2.67 114.58 117.56 1kyx h GLU 45 Ca -0.04 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1kyx h GLU 45 Cb 0.50 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1kyx h GLU 45 CO 0.07 0.78 -1.08 1.63 -1.00 0.00 0.00 179.01 179.42 1kyx n LYS 46 N -3.80 1.46 0.00 2.33 5.02 -0.38 -4.62 118.16 118.18 1kyx n LYS 46 Ca -0.02 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1kyx n LYS 46 Cb 0.67 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 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 -1.61 0.00 -2.88 2.13 8.25 -0.86 -4.84 115.22 115.42 1kyx n HIS 47 Ca 0.01 -0.04 -0.20 0.00 -0.26 0.00 0.00 57.72 57.23 1kyx n HIS 47 Cb 0.30 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.43 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 -0.04 -5.68 -4.80 0.41 10.43 -0.95 -0.51 116.55 115.42 1kyx n ASP 48 Ca 0.00 -0.23 -0.35 0.00 2.57 0.00 0.00 54.79 56.78 1kyx n ASP 48 Cb 0.07 -4.53 -0.07 0.00 1.84 0.00 0.00 41.12 38.44 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 -3.10 4.34 -0.12 2.53 1.01 -0.61 -3.36 120.40 121.09 1kyx s VAL 49 Ca 0.25 1.59 -0.18 0.00 0.00 0.00 0.00 61.98 63.63 1kyx s VAL 49 Cb -0.11 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1kyx s VAL 49 CO 0.30 -0.08 0.48 -0.54 0.00 0.00 0.00 175.10 175.27 1kyx s LYS 50 N -2.60 4.34 0.33 2.72 1.02 -1.26 -4.30 119.74 119.98 1kyx s LYS 50 Ca 0.55 0.46 0.11 0.00 0.02 0.00 0.00 55.97 57.11 1kyx s LYS 50 Cb -0.14 -3.44 0.97 0.00 -0.52 0.00 0.00 37.83 34.70 1kyx s LYS 50 CO 0.18 0.15 1.68 1.25 -0.92 0.00 0.00 175.35 177.70 1kyx h LEU 51 N 6.74 0.51 -0.03 3.17 6.46 -1.96 0.41 115.31 130.61 1kyx h LEU 51 Ca -0.41 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1kyx h LEU 51 Cb 1.18 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.22 1kyx h LEU 51 CO 0.76 -0.05 0.00 -1.84 -0.62 0.00 0.00 178.44 176.68 1kyx n GLU 52 N -5.01 0.02 -0.25 1.25 0.00 -1.26 -2.57 120.64 112.82 1kyx n GLU 52 Ca 0.29 0.15 0.09 0.00 0.00 0.00 0.00 57.16 57.68 1kyx n GLU 52 Cb 0.86 -1.52 0.23 0.00 0.00 0.00 0.00 31.44 31.01 1kyx n GLU 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1kyx n ASN 53 N -1.55 2.71 -4.10 -1.84 3.02 0.14 -4.81 115.26 108.83 1kyx n ASN 53 Ca 0.05 -1.98 -0.33 0.00 -0.03 0.00 0.00 54.58 52.29 1kyx n ASN 53 Cb 0.25 -0.32 -0.14 0.00 -0.61 0.00 0.00 39.78 38.95 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 -1.35 2.53 0.01 2.41 1.01 -1.06 -1.35 121.20 123.39 1kyx s ILE 54 Ca 0.34 -1.69 -0.18 0.00 0.00 0.00 0.00 60.65 59.12 1kyx s ILE 54 Cb 0.18 -2.55 -0.06 0.00 0.01 0.00 0.00 42.46 40.05 1kyx s ILE 54 CO 0.24 -0.18 0.51 -1.81 0.00 0.00 0.00 174.94 173.70 1kyx s ASP 55 N 1.17 6.92 -0.18 3.58 -0.00 -0.43 -4.98 116.67 122.75 1kyx s ASP 55 Ca -0.04 1.10 0.01 0.00 -0.00 0.00 0.00 52.55 53.62 1kyx s ASP 55 Cb -0.20 -2.32 0.03 0.00 -0.00 0.00 0.00 42.92 40.43 1kyx s ASP 55 CO -0.04 0.22 -0.13 -0.63 -0.00 0.00 0.00 175.17 174.59 1kyx s ILE 56 N -0.70 1.69 0.31 0.77 1.01 -1.26 -0.59 121.20 122.43 1kyx s ILE 56 Ca 0.27 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 60.12 1kyx s ILE 56 Cb -0.18 -1.66 -0.06 0.00 0.01 0.00 0.00 42.46 40.57 1kyx s ILE 56 CO 0.16 0.32 -0.07 -1.61 0.00 0.00 0.00 174.94 173.75 1kyx s GLU 57 N 1.41 1.67 0.05 2.79 2.02 0.65 -4.99 118.70 122.29 1kyx s GLU 57 Ca 0.02 -1.86 -0.01 0.00 0.02 0.00 0.00 54.97 53.14 1kyx s GLU 57 Cb -0.15 -1.37 -0.04 0.00 0.10 0.00 0.00 34.13 32.68 1kyx s GLU 57 CO -0.10 0.06 -0.03 -1.54 0.02 0.00 0.00 175.26 173.68 1kyx s SER 58 N -3.52 0.48 0.16 -0.19 1.04 -1.26 -1.67 113.70 108.75 1kyx s SER 58 Ca 0.31 -0.92 0.01 0.00 0.48 0.00 0.00 55.95 55.83 1kyx s SER 58 Cb 0.04 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 1kyx s SER 58 CO 0.14 -0.55 -0.00 0.68 0.98 0.00 0.00 173.24 174.49 1kyx s VAL 59 N -3.52 0.62 0.04 5.02 -7.23 -0.58 -4.92 120.40 109.83 1kyx s VAL 59 Ca 0.04 -1.96 -0.18 0.00 -1.81 0.00 0.00 61.98 58.06 1kyx s VAL 59 Cb 0.05 -2.04 -0.09 0.00 0.56 0.00 0.00 36.38 34.86 1kyx s VAL 59 CO -0.08 -0.54 1.28 -0.65 -0.31 0.00 0.00 175.10 174.79 1kyx h PRO 60 N 2.76 -0.49 -5.02 4.82 0.11 -1.94 -2.24 132.00 130.00 1kyx h PRO 60 Ca -0.36 0.03 -0.53 0.00 0.11 0.00 0.00 66.00 65.25 1kyx h PRO 60 Cb 1.20 0.11 -0.13 0.00 0.11 0.00 0.00 31.00 32.28 1kyx h PRO 60 CO 0.63 -0.32 -0.52 0.20 -0.21 0.00 0.00 178.00 177.77 1kyx s GLY 61 N -1.55 2.50 0.54 -0.55 0.00 -1.26 -1.07 107.32 105.93 1kyx s GLY 61 Ca -0.09 -1.41 0.22 0.00 0.00 0.00 0.00 44.72 43.44 1kyx s GLY 61 CO 0.30 -1.77 2.08 1.76 0.00 0.00 0.00 173.10 175.47 1kyx h SER 62 N 1.88 0.00 -0.82 1.64 0.02 -1.92 -1.51 113.55 112.85 1kyx h SER 62 Ca -0.34 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1kyx h SER 62 Cb 1.27 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.77 1kyx h SER 62 CO 0.55 0.00 0.51 -0.25 -1.14 0.00 0.00 176.83 176.50 1kyx h TRP 63 N 0.00 1.07 0.00 3.45 2.91 -1.96 -2.36 115.95 119.06 1kyx h TRP 63 Ca 0.12 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.14 1kyx h TRP 63 Cb 0.49 -0.35 0.00 0.00 -0.51 0.00 0.00 29.16 28.79 1kyx h TRP 63 CO 0.00 0.70 0.00 0.39 -1.03 0.00 0.00 178.44 178.50 1kyx n GLU 64 N -4.38 0.19 -0.01 2.65 4.71 -0.57 -4.19 120.64 119.04 1kyx n GLU 64 Ca 0.09 0.23 -0.14 0.00 -0.01 0.00 0.00 57.16 57.33 1kyx n GLU 64 Cb 0.05 -1.76 -0.08 0.00 -1.01 0.00 0.00 31.44 28.64 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 -1.58 -0.84 -4.62 5.85 -1.41 0.15 115.31 112.84 1kyx h LEU 65 Ca 0.00 0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.99 1kyx h LEU 65 Cb 0.58 0.63 -0.07 0.00 0.37 0.00 0.00 40.66 42.17 1kyx h LEU 65 CO 0.00 -0.47 0.51 -0.65 -0.34 0.00 0.00 178.44 177.49 1kyx h PRO 66 N -0.55 0.86 -0.34 5.25 0.11 -1.77 -0.99 132.00 134.57 1kyx h PRO 66 Ca 0.05 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 1kyx h PRO 66 Cb 0.67 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1kyx h PRO 66 CO -0.43 0.57 -0.29 1.96 -0.21 0.00 0.00 178.00 179.60 1kyx h GLN 67 N 0.89 0.71 -0.35 1.05 4.20 -1.67 -0.98 115.11 118.96 1kyx h GLN 67 Ca 0.39 -0.31 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 1kyx h GLN 67 Cb 0.27 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1kyx h GLN 67 CO -0.21 0.91 -0.19 0.78 -0.67 0.00 0.00 178.83 179.45 1kyx h GLY 68 N 0.98 0.81 0.93 3.46 0.00 -0.26 -2.28 103.07 106.71 1kyx h GLY 68 Ca 0.07 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 1kyx h GLY 68 CO 0.07 0.68 0.13 -2.22 0.00 0.00 0.00 176.54 175.20 1kyx h ILE 69 N 0.53 1.16 -0.65 2.60 2.04 -1.05 -1.40 117.51 120.73 1kyx h ILE 69 Ca 0.08 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.52 1kyx h ILE 69 Cb 0.74 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 1kyx h ILE 69 CO 0.06 0.16 0.39 -0.09 0.00 0.00 0.00 178.15 178.66 1kyx h ARG 70 N 0.33 0.72 -0.05 2.37 2.43 -1.14 -0.90 114.38 118.14 1kyx h ARG 70 Ca 0.10 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1kyx h ARG 70 Cb 0.13 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1kyx h ARG 70 CO -0.01 0.47 0.03 0.00 -1.51 0.00 0.00 179.97 178.95 1kyx h ALA 71 N 1.31 0.06 -0.42 2.80 0.00 -1.15 -2.98 119.26 118.87 1kyx h ALA 71 Ca 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1kyx h ALA 71 Cb 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1kyx h ALA 71 CO -0.14 -0.41 0.21 0.77 0.00 0.00 0.00 179.25 179.68 1kyx h SER 72 N 0.01 0.55 0.11 0.00 0.02 -0.87 -2.50 113.55 110.88 1kyx h SER 72 Ca 0.02 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1kyx h SER 72 Cb 0.05 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1kyx h SER 72 CO -0.00 0.51 0.00 2.30 -1.14 0.00 0.00 176.83 178.50 1kyx n ILE 73 N -4.68 0.10 0.02 3.27 -5.35 -0.38 -1.74 119.36 110.60 1kyx n ILE 73 Ca 0.01 0.03 0.06 0.00 -0.27 0.00 0.00 62.75 62.57 1kyx n ILE 73 Cb 0.10 -0.68 -0.10 0.00 -1.74 0.00 0.00 39.64 37.22 1kyx n ILE 73 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kyx n ALA 74 N -1.08 2.37 -0.09 -1.28 0.00 -0.96 -4.48 120.51 114.99 1kyx n ALA 74 Ca 0.15 -0.55 -0.17 0.00 0.00 0.00 0.00 53.44 52.87 1kyx n ALA 74 Cb 0.10 -0.82 -0.09 0.00 0.00 0.00 0.00 19.45 18.64 1kyx n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kyx h ARG 75 N 0.00 0.00 -5.69 0.00 3.08 -1.14 -3.49 114.38 107.13 1kyx h ARG 75 Ca -0.11 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.33 1kyx h ARG 75 Cb 1.29 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.26 1kyx h ARG 75 CO 0.01 0.76 -0.38 -0.80 -1.07 0.00 0.00 179.97 178.49 1kyx s ASN 76 N -6.53 4.47 -0.19 7.04 0.01 -0.77 -5.13 114.94 113.83 1kyx s ASN 76 Ca -0.24 -1.38 -0.03 0.00 -0.71 0.00 0.00 52.86 50.50 1kyx s ASN 76 Cb 0.04 0.43 -0.01 0.00 0.41 0.00 0.00 41.25 42.12 1kyx s ASN 76 CO 0.50 -1.01 -0.06 -0.89 -1.51 0.00 0.00 177.10 174.13 1kyx s THR 77 N -2.80 3.38 0.15 1.60 2.01 -1.26 -4.56 115.64 114.16 1kyx s THR 77 Ca 0.25 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.81 1kyx s THR 77 Cb -0.01 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 1kyx s THR 77 CO 0.15 0.46 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.07 1kyx s TYR 78 N 1.07 1.63 -0.13 4.92 2.02 -1.26 -4.88 117.35 120.71 1kyx s TYR 78 Ca 0.01 -0.53 0.19 0.00 -0.37 0.00 0.00 57.07 56.37 1kyx s TYR 78 Cb -0.15 -0.82 -0.20 0.00 -0.40 0.00 0.00 41.96 40.40 1kyx s TYR 78 CO -0.00 0.26 0.58 -0.25 -1.57 0.00 0.00 175.55 174.56 1kyx n ASP 79 N 0.27 0.47 -3.50 2.29 9.92 0.56 -4.97 116.55 121.57 1kyx n ASP 79 Ca -0.13 0.20 -0.17 0.00 -0.53 0.00 0.00 54.79 54.16 1kyx n ASP 79 Cb 0.58 0.78 -0.05 0.00 -0.64 0.00 0.00 41.12 41.78 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 -2.97 -1.72 0.05 2.24 0.00 -1.22 -4.25 121.76 113.90 1kyx s ALA 80 Ca -0.06 1.14 0.05 0.00 0.00 0.00 0.00 51.96 53.10 1kyx s ALA 80 Cb 0.09 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 1kyx s ALA 80 CO 0.84 -0.45 -0.15 0.08 0.00 0.00 0.00 175.76 176.08 1kyx s VAL 81 N -1.68 1.21 -0.16 0.00 1.01 -0.49 -1.68 120.40 118.60 1kyx s VAL 81 Ca -0.09 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1kyx s VAL 81 Cb -0.00 -1.11 0.03 0.00 0.00 0.00 0.00 36.38 35.30 1kyx s VAL 81 CO 0.06 -0.05 -0.12 -0.63 0.00 0.00 0.00 175.10 174.35 1kyx s ILE 82 N -0.98 1.56 -0.28 2.22 1.01 -0.14 -0.43 121.20 124.16 1kyx s ILE 82 Ca 0.01 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 1kyx s ILE 82 Cb -0.09 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 1kyx s ILE 82 CO 0.02 0.36 0.34 -0.83 0.00 0.00 0.00 174.94 174.82 1kyx s GLY 83 N 1.47 1.89 -0.09 6.18 0.00 -0.74 -1.97 107.32 114.06 1kyx s GLY 83 Ca 0.03 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 43.86 1kyx s GLY 83 CO -0.10 0.92 -0.17 -0.42 0.00 0.00 0.00 173.10 173.33 1kyx s ILE 84 N 2.01 2.70 -0.02 0.90 1.01 -0.14 -0.05 121.20 127.61 1kyx s ILE 84 Ca 0.13 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.68 1kyx s ILE 84 Cb -0.16 -2.08 0.10 0.00 0.01 0.00 0.00 42.46 40.33 1kyx s ILE 84 CO 0.10 0.55 0.85 -0.83 0.00 0.00 0.00 174.94 175.62 1kyx s GLY 85 N 0.00 -0.46 -0.16 6.18 0.00 -0.87 -1.45 107.32 110.57 1kyx s GLY 85 Ca -0.06 1.18 -0.00 0.00 0.00 0.00 0.00 44.72 45.84 1kyx s GLY 85 CO 0.05 0.52 -0.06 0.14 0.00 0.00 0.00 173.10 173.74 1kyx s VAL 86 N -2.60 1.14 -0.18 1.40 1.01 -1.26 -1.21 120.40 118.70 1kyx s VAL 86 Ca 0.01 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1kyx s VAL 86 Cb -0.01 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1kyx s VAL 86 CO -0.05 0.18 -0.03 -0.76 0.00 0.00 0.00 175.10 174.43 1kyx s LEU 87 N 1.63 3.13 -0.11 3.92 1.43 -0.09 -4.80 118.68 123.78 1kyx s LEU 87 Ca 0.01 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1kyx s LEU 87 Cb -0.15 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 1kyx s LEU 87 CO -0.08 0.09 -0.14 -0.63 0.23 0.00 0.00 176.35 175.82 1kyx s ILE 88 N 0.81 2.95 0.18 -0.59 1.01 -1.26 -1.36 121.20 122.95 1kyx s ILE 88 Ca -0.01 -0.71 -0.33 0.00 0.00 0.00 0.00 60.65 59.61 1kyx s ILE 88 Cb -0.14 -2.22 -0.13 0.00 0.01 0.00 0.00 42.46 39.98 1kyx s ILE 88 CO 0.02 0.54 1.69 1.17 0.00 0.00 0.00 174.94 178.35 1kyx n LYS 89 N 3.33 2.56 0.00 2.79 3.00 -0.43 -4.85 118.16 124.55 1kyx n LYS 89 Ca -0.18 0.92 0.00 0.00 -0.00 0.00 0.00 58.31 59.05 1kyx n LYS 89 Cb 0.53 -2.75 0.00 0.00 0.00 0.00 0.00 35.03 32.81 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 3.82 4.65 0.12 3.14 0.00 -1.26 -4.83 105.19 110.84 1kyx n GLY 90 Ca 0.17 -1.90 0.13 0.00 0.00 0.00 0.00 46.02 44.41 1kyx n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kyx h SER 91 N 0.00 0.00 -3.66 1.61 0.02 -2.02 -3.47 113.55 106.03 1kyx h SER 91 Ca 0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1kyx h SER 91 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1kyx h SER 91 CO 0.00 0.02 -0.01 0.35 -1.14 0.00 0.00 176.83 176.06 1kyx n THR 92 N -2.44 0.00 1.47 -2.27 -2.24 -1.26 -5.02 114.28 102.53 1kyx n THR 92 Ca 0.04 -0.05 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 1kyx n THR 92 Cb 0.46 -0.59 0.51 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.63 1.60 -0.21 -0.78 0.00 -1.26 -4.35 117.12 111.48 1kyx n MET 93 Ca 0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 57.70 56.75 1kyx n MET 93 Cb 0.01 -1.48 0.05 0.00 0.00 0.00 0.00 33.22 31.81 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 2.28 -0.43 -0.64 2.03 -0.00 -1.96 -1.42 115.15 115.02 1kyx h HIS 94 Ca 0.00 0.06 0.13 0.00 -0.00 0.00 0.00 60.37 60.56 1kyx h HIS 94 Cb 0.51 0.28 -0.09 0.00 -0.00 0.00 0.00 27.41 28.11 1kyx h HIS 94 CO 0.00 -0.29 0.12 0.35 -0.00 0.00 0.00 177.93 178.11 1kyx h PHE 95 N -0.03 0.18 -0.37 5.26 3.57 -1.89 -0.85 116.94 122.82 1kyx h PHE 95 Ca 0.29 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 1kyx h PHE 95 Cb 0.48 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1kyx h PHE 95 CO -0.53 -0.07 0.04 0.93 -2.23 0.00 0.00 178.31 176.46 1kyx h GLU 96 N 0.24 0.62 -0.04 1.11 3.07 -1.58 -1.92 114.58 116.07 1kyx h GLU 96 Ca 0.34 -0.17 -0.22 0.00 -0.50 0.00 0.00 59.36 58.81 1kyx h GLU 96 Cb 0.54 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1kyx h GLU 96 CO -0.45 0.70 -0.87 1.88 -1.40 0.00 0.00 179.01 178.86 1kyx h TYR 97 N 0.45 0.69 -0.25 4.33 0.05 -1.13 -2.62 116.97 118.48 1kyx h TYR 97 Ca 0.11 -0.35 -0.08 0.00 0.05 0.00 0.00 58.73 58.47 1kyx h TYR 97 Cb 0.39 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 1kyx h TYR 97 CO 0.03 1.15 -0.14 0.82 -1.05 0.00 0.00 178.16 178.97 1kyx h ILE 98 N 0.30 1.30 -0.11 -2.88 2.04 -1.20 -1.99 117.51 114.97 1kyx h ILE 98 Ca -0.07 -1.24 0.04 0.00 1.00 0.00 0.00 64.86 64.60 1kyx h ILE 98 Cb 1.49 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 39.09 1kyx h ILE 98 CO 0.16 0.39 -0.15 0.28 0.00 0.00 0.00 178.15 178.82 1kyx h SER 99 N 0.26 -0.47 -0.50 1.72 0.02 -1.39 0.99 113.55 114.19 1kyx h SER 99 Ca 0.05 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1kyx h SER 99 Cb 0.65 0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 1kyx h SER 99 CO 0.04 -0.20 0.30 -0.08 -1.14 0.00 0.00 176.83 175.75 1kyx h GLU 100 N -0.20 0.59 -0.31 3.45 4.81 -1.43 -1.67 114.58 119.83 1kyx h GLU 100 Ca 0.09 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 1kyx h GLU 100 Cb 0.32 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1kyx h GLU 100 CO -0.23 0.39 -0.37 0.00 -0.73 0.00 0.00 179.01 178.08 1kyx h ALA 101 N 1.21 0.78 -0.24 2.92 0.00 -0.90 -2.30 119.26 120.73 1kyx h ALA 101 Ca 0.19 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1kyx h ALA 101 Cb -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1kyx h ALA 101 CO -0.08 0.65 -0.18 0.28 0.00 0.00 0.00 179.25 179.92 1kyx h VAL 102 N 0.58 1.31 -0.27 0.00 2.07 -0.66 -0.59 116.25 118.70 1kyx h VAL 102 Ca 0.06 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.27 1kyx h VAL 102 Cb 0.89 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1kyx h VAL 102 CO 0.08 0.41 0.15 0.58 0.02 0.00 0.00 177.57 178.81 1kyx h VAL 103 N 0.25 1.02 -0.34 2.57 2.07 -1.29 0.11 116.25 120.64 1kyx h VAL 103 Ca 0.04 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 1kyx h VAL 103 Cb 0.72 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1kyx h VAL 103 CO 0.05 0.06 -0.05 0.45 0.02 0.00 0.00 177.57 178.10 1kyx h HIS 104 N 0.32 0.57 -0.43 1.57 -0.00 -1.41 -2.42 115.15 113.35 1kyx h HIS 104 Ca 0.11 -0.07 -0.05 0.00 -0.00 0.00 0.00 60.37 60.36 1kyx h HIS 104 Cb 0.00 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.24 1kyx h HIS 104 CO -0.08 0.59 0.08 0.78 -0.00 0.00 0.00 177.93 179.29 1kyx h GLY 105 N 0.89 0.77 1.22 2.45 0.00 -0.22 -1.46 103.07 106.72 1kyx h GLY 105 Ca 0.10 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 1kyx h GLY 105 CO 0.02 0.47 0.02 1.41 0.00 0.00 0.00 176.54 178.46 1kyx h LEU 106 N 0.57 0.91 -0.53 3.11 3.38 -0.62 -1.38 115.31 120.75 1kyx h LEU 106 Ca 0.13 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1kyx h LEU 106 Cb 0.37 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1kyx h LEU 106 CO 0.01 0.96 0.08 -0.03 0.09 0.00 0.00 178.44 179.54 1kyx h MET 107 N 0.88 0.88 -0.53 1.13 4.05 -1.33 -2.47 114.93 117.52 1kyx h MET 107 Ca 0.17 -0.24 -0.05 0.00 -0.28 0.00 0.00 59.70 59.29 1kyx h MET 107 Cb 0.49 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 1kyx h MET 107 CO 0.02 0.86 0.13 -0.09 0.23 0.00 0.00 176.91 178.06 1kyx h ARG 108 N 0.76 0.86 -0.72 0.39 2.43 -0.90 -1.59 114.38 115.61 1kyx h ARG 108 Ca 0.16 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1kyx h ARG 108 Cb 0.42 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1kyx h ARG 108 CO 0.01 0.81 0.32 0.28 -1.51 0.00 0.00 179.97 179.88 1kyx h VAL 109 N 0.75 1.23 -0.31 0.20 2.07 -1.15 0.35 116.25 119.41 1kyx h VAL 109 Ca 0.17 -0.69 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 1kyx h VAL 109 Cb 0.34 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1kyx h VAL 109 CO 0.00 0.29 -0.20 1.23 0.02 0.00 0.00 177.57 178.91 1kyx h GLY 110 N 1.08 0.74 2.00 2.17 0.00 -1.21 -2.29 103.07 105.57 1kyx h GLY 110 Ca 0.24 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 1kyx h GLY 110 CO -0.03 0.64 -0.27 1.41 0.00 0.00 0.00 176.54 178.29 1kyx h LEU 111 N 0.44 0.00 0.20 3.11 3.38 -1.07 -0.70 115.31 120.67 1kyx h LEU 111 Ca 0.06 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.76 1kyx h LEU 111 Cb 0.75 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.53 1kyx h LEU 111 CO 0.06 0.27 -1.18 0.44 0.09 0.00 0.00 178.44 178.12 1kyx h ASP 112 N 0.00 0.69 0.90 -0.43 3.32 -0.89 -3.37 116.42 116.64 1kyx h ASP 112 Ca -0.00 -0.93 -0.19 0.00 0.02 0.00 0.00 57.03 55.94 1kyx h ASP 112 Cb 0.93 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 1kyx h ASP 112 CO 0.04 1.57 -1.19 0.77 -1.72 0.00 0.00 179.24 178.70 1kyx h SER 113 N -0.07 0.00 0.00 6.45 4.64 -1.44 -3.48 113.55 119.66 1kyx h SER 113 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1kyx h SER 113 Cb 1.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.01 1kyx h SER 113 CO 0.22 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.51 1kyx n GLY 114 N 1.38 0.91 3.70 -0.77 0.00 -0.27 -5.02 105.19 105.11 1kyx n GLY 114 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.15 5.22 0.22 1.61 1.01 -1.20 -5.03 120.40 119.08 1kyx s VAL 115 Ca 0.00 0.74 -0.32 0.00 0.00 0.00 0.00 61.98 62.41 1kyx s VAL 115 Cb 0.00 -3.73 -0.12 0.00 0.00 0.00 0.00 36.38 32.53 1kyx s VAL 115 CO 0.00 0.30 1.69 -2.84 0.00 0.00 0.00 175.10 174.25 1kyx s PRO 116 N 0.95 4.13 -0.22 2.72 0.02 -1.26 -4.45 135.00 136.89 1kyx s PRO 116 Ca 0.20 2.59 -0.01 0.00 0.02 0.00 0.00 61.00 63.80 1kyx s PRO 116 Cb -0.14 -3.07 0.02 0.00 0.02 0.00 0.00 34.50 31.33 1kyx s PRO 116 CO 0.08 -0.72 -0.11 0.08 -0.33 0.00 0.00 177.00 175.99 1kyx s VAL 117 N 0.95 2.63 -0.07 3.83 1.01 -1.26 -1.40 120.40 126.08 1kyx s VAL 117 Ca 0.72 -0.92 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 1kyx s VAL 117 Cb -0.49 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1kyx s VAL 117 CO 0.35 0.36 0.58 -0.63 0.00 0.00 0.00 175.10 175.76 1kyx s ILE 118 N 1.33 5.07 -0.60 2.22 1.09 0.43 -4.99 121.20 125.75 1kyx s ILE 118 Ca 0.03 1.19 -0.26 0.00 -1.10 0.00 0.00 60.65 60.50 1kyx s ILE 118 Cb -0.15 -3.92 0.04 0.00 -1.06 0.00 0.00 42.46 37.37 1kyx s ILE 118 CO -0.07 0.33 1.10 -0.22 -0.10 0.00 0.00 174.94 175.98 1kyx s LEU 119 N 0.44 3.70 -0.38 2.97 2.96 -1.26 -1.79 118.68 125.33 1kyx s LEU 119 Ca 0.31 -0.23 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 1kyx s LEU 119 Cb -0.17 -2.89 0.48 0.00 0.50 0.00 0.00 46.19 44.12 1kyx s LEU 119 CO 0.15 -1.45 1.50 0.61 -1.32 0.00 0.00 176.35 175.84 1kyx n GLY 120 N 5.16 5.68 3.70 7.98 0.00 0.93 -4.97 105.19 123.67 1kyx n GLY 120 Ca 0.04 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 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 -3.52 4.18 -0.15 0.99 2.96 -1.23 -2.04 118.68 119.88 1kyx s LEU 121 Ca 0.52 0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 54.67 1kyx s LEU 121 Cb 0.43 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1kyx s LEU 121 CO 0.01 0.09 0.01 -0.76 -1.32 0.00 0.00 176.35 174.39 1kyx s LEU 122 N 0.72 3.55 -0.50 -0.68 1.43 -0.35 -4.95 118.68 117.90 1kyx s LEU 122 Ca 0.11 0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 1kyx s LEU 122 Cb -0.13 -1.86 0.13 0.00 0.03 0.00 0.00 46.19 44.36 1kyx s LEU 122 CO 0.03 0.23 0.25 0.42 0.23 0.00 0.00 176.35 177.50 1kyx s THR 123 N 0.03 2.40 0.36 5.49 -4.23 -1.26 -0.91 115.64 117.52 1kyx s THR 123 Ca 0.03 -3.17 0.08 0.00 -1.18 0.00 0.00 61.69 57.45 1kyx s THR 123 Cb -0.13 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 71.00 1kyx s THR 123 CO 0.02 -0.80 0.16 0.68 -0.54 0.00 0.00 174.62 174.14 1kyx s VAL 124 N -0.14 2.79 -0.23 2.29 -7.23 -0.46 -5.03 120.40 112.39 1kyx s VAL 124 Ca 0.17 -1.68 0.21 0.00 -1.81 0.00 0.00 61.98 58.87 1kyx s VAL 124 Cb -0.25 -2.98 0.01 0.00 0.56 0.00 0.00 36.38 33.72 1kyx s VAL 124 CO -0.00 -0.12 1.07 -0.07 -0.31 0.00 0.00 175.10 175.66 1kyx h LEU 125 N 1.49 0.00 -7.55 1.32 3.38 -1.92 -1.13 115.31 110.89 1kyx h LEU 125 Ca -0.43 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.58 1kyx h LEU 125 Cb 1.25 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.92 1kyx h LEU 125 CO 0.65 0.11 0.24 0.54 0.09 0.00 0.00 178.44 180.07 1kyx s ASN 126 N -5.54 -0.38 0.19 -0.43 2.20 -1.26 -4.29 114.94 105.43 1kyx s ASN 126 Ca -0.00 -0.34 -0.16 0.00 -0.94 0.00 0.00 52.86 51.43 1kyx s ASN 126 Cb 0.09 0.65 0.18 0.00 -2.00 0.00 0.00 41.25 40.17 1kyx s ASN 126 CO 0.78 -1.15 1.63 -0.33 -2.94 0.00 0.00 177.10 175.09 1kyx h GLU 127 N 2.00 -0.04 -0.70 3.55 4.39 -1.97 -2.63 114.58 119.18 1kyx h GLU 127 Ca -0.25 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.59 1kyx h GLU 127 Cb 1.27 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.83 1kyx h GLU 127 CO 0.29 -0.03 0.20 0.93 -1.16 0.00 0.00 179.01 179.25 1kyx h GLU 128 N -0.04 0.31 -0.85 2.33 3.07 -1.99 -0.47 114.58 116.94 1kyx h GLU 128 Ca 0.26 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.13 1kyx h GLU 128 Cb 0.44 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.24 1kyx h GLU 128 CO -0.59 0.21 0.56 1.96 -1.40 0.00 0.00 179.01 179.74 1kyx h GLN 129 N 0.32 1.06 -0.01 2.33 4.20 -1.89 -1.28 115.11 119.84 1kyx h GLN 129 Ca 0.38 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 59.03 1kyx h GLN 129 Cb 0.61 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 1kyx h GLN 129 CO -0.44 0.70 -0.00 0.00 -0.67 0.00 0.00 178.83 178.42 1kyx h ALA 130 N 1.49 0.02 -0.48 3.87 0.00 -1.13 -2.63 119.26 120.39 1kyx h ALA 130 Ca 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1kyx h ALA 130 Cb -0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1kyx h ALA 130 CO -0.08 -0.28 0.26 -0.07 0.00 0.00 0.00 179.25 179.07 1kyx h LEU 131 N -0.36 0.58 -0.44 0.00 3.38 -1.05 -1.71 115.31 115.72 1kyx h LEU 131 Ca 0.00 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1kyx h LEU 131 Cb 0.39 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1kyx h LEU 131 CO 0.00 0.47 0.02 0.22 0.09 0.00 0.00 178.44 179.24 1kyx h TYR 132 N 0.66 0.83 0.00 1.13 3.20 -1.20 -0.49 116.97 121.10 1kyx h TYR 132 Ca 0.17 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1kyx h TYR 132 Cb 0.02 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.07 1kyx h TYR 132 CO 0.00 0.81 0.00 0.54 -1.64 0.00 0.00 178.16 177.87 1kyx n ARG 133 N -4.42 0.35 -0.48 1.82 1.74 -0.92 -2.24 116.66 112.51 1kyx n ARG 133 Ca -0.00 0.04 0.11 0.00 -0.77 0.00 0.00 57.85 57.23 1kyx n ARG 133 Cb 0.29 -1.50 0.35 0.00 -1.02 0.00 0.00 32.46 30.57 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 -1.30 2.68 -0.50 7.54 0.00 -0.69 -1.09 120.51 127.15 1kyx n ALA 134 Ca 0.12 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 52.13 1kyx n ALA 134 Cb 0.21 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.48 0.75 3.95 0.00 0.00 -0.95 -4.60 105.19 105.82 1kyx n GLY 135 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 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 3.28 -1.67 0.99 1.02 -0.24 -4.21 118.68 117.84 1kyx s LEU 136 Ca 0.00 0.27 -0.18 0.00 0.02 0.00 0.00 54.13 54.25 1kyx s LEU 136 Cb 0.00 -3.10 0.14 0.00 0.02 0.00 0.00 46.19 43.25 1kyx s LEU 136 CO 0.00 -1.10 0.83 0.59 0.02 0.00 0.00 176.35 176.69 1kyx n ASN 137 N -2.43 -3.63 0.00 2.29 3.02 -1.26 -1.13 115.26 112.11 1kyx n ASN 137 Ca 0.06 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1kyx n ASN 137 Cb 0.59 -3.01 0.00 0.00 -0.61 0.00 0.00 39.78 36.75 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 -1.46 0.77 3.95 7.41 0.00 -1.26 -5.00 105.19 109.61 1kyx n GLY 138 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.83 1.77 -0.17 -0.02 0.00 -0.29 -5.08 107.32 101.70 1kyx s GLY 139 Ca 0.00 -1.15 -0.15 0.00 0.00 0.00 0.00 44.72 43.42 1kyx s GLY 139 CO 0.00 -0.81 0.36 -1.58 0.00 0.00 0.00 173.10 171.07 1kyx s HIS 140 N -2.98 3.43 -0.33 1.90 5.65 -1.22 -4.19 115.29 117.55 1kyx s HIS 140 Ca 0.59 0.64 -0.29 0.00 0.25 0.00 0.00 55.06 56.25 1kyx s HIS 140 Cb -0.11 -2.44 -0.01 0.00 -1.18 0.00 0.00 32.58 28.84 1kyx s HIS 140 CO 0.41 0.13 1.60 1.21 -0.65 0.00 0.00 174.74 177.44 1kyx s ASN 141 N 0.73 6.19 0.56 9.88 3.84 -1.26 -3.72 114.94 131.15 1kyx s ASN 141 Ca 0.19 1.20 0.34 0.00 0.21 0.00 0.00 52.86 54.80 1kyx s ASN 141 Cb -0.14 -2.53 1.50 0.00 -0.55 0.00 0.00 41.25 39.53 1kyx s ASN 141 CO 0.06 -1.48 2.04 0.45 -2.79 0.00 0.00 177.10 175.38 1kyx h HIS 142 N 11.46 0.00 -0.24 0.43 3.86 -1.43 -2.67 115.15 126.57 1kyx h HIS 142 Ca -0.31 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 58.94 1kyx h HIS 142 Cb 1.14 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.60 1kyx h HIS 142 CO 0.95 0.03 0.16 0.78 0.86 0.00 0.00 177.93 180.72 1kyx h GLY 143 N 1.62 0.18 0.90 2.45 0.00 -1.80 -2.01 103.07 104.41 1kyx h GLY 143 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1kyx h GLY 143 CO 0.00 0.05 0.09 3.43 0.00 0.00 0.00 176.54 180.12 1kyx h ASN 144 N 0.16 0.30 -0.76 0.19 -0.26 -1.60 -1.27 115.58 112.34 1kyx h ASN 144 Ca 0.10 -0.16 -0.03 0.00 -0.56 0.00 0.00 56.30 55.66 1kyx h ASN 144 Cb 0.22 -0.08 -0.04 0.00 -1.06 0.00 0.00 38.32 37.37 1kyx h ASN 144 CO -0.02 0.37 0.37 0.44 -1.06 0.00 0.00 177.43 177.54 1kyx h ASP 145 N 0.20 1.00 -0.77 5.81 3.32 -1.56 -2.14 116.42 122.28 1kyx h ASP 145 Ca 0.07 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 1kyx h ASP 145 Cb 0.17 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1kyx h ASP 145 CO -0.01 0.85 0.31 -0.50 -1.72 0.00 0.00 179.24 178.17 1kyx h TRP 146 N 1.10 1.18 -0.33 4.55 6.55 -1.09 -0.01 115.95 127.90 1kyx h TRP 146 Ca 0.27 -0.09 0.02 0.00 0.95 0.00 0.00 58.89 60.04 1kyx h TRP 146 Cb 0.11 -0.35 -0.03 0.00 -0.86 0.00 0.00 29.16 28.03 1kyx h TRP 146 CO 0.01 0.90 0.17 0.78 -1.05 0.00 0.00 178.44 179.25 1kyx h GLY 147 N 1.12 0.45 1.15 1.49 0.00 -0.62 0.80 103.07 107.45 1kyx h GLY 147 Ca 0.26 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 1kyx h GLY 147 CO -0.02 0.09 0.02 1.76 0.00 0.00 0.00 176.54 178.39 1kyx h SER 148 N 0.34 1.00 -0.51 0.19 0.02 -1.10 -2.46 113.55 111.03 1kyx h SER 148 Ca 0.14 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1kyx h SER 148 Cb 0.05 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1kyx h SER 148 CO -0.10 1.04 0.29 0.00 -1.14 0.00 0.00 176.83 176.92 1kyx h ALA 149 N 1.07 0.65 -0.21 3.77 0.00 -0.39 -1.58 119.26 122.56 1kyx h ALA 149 Ca 0.17 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1kyx h ALA 149 Cb 0.52 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1kyx h ALA 149 CO 0.03 0.15 -0.03 0.00 0.00 0.00 0.00 179.25 179.39 1kyx h ALA 150 N 1.13 0.16 -0.04 0.00 0.00 -0.63 -0.58 119.26 119.30 1kyx h ALA 150 Ca 0.18 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1kyx h ALA 150 Cb 0.02 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1kyx h ALA 150 CO -0.03 -0.46 -0.02 0.28 0.00 0.00 0.00 179.25 179.02 1kyx h VAL 151 N 0.03 0.93 -0.39 0.00 2.07 -1.14 -0.02 116.25 117.73 1kyx h VAL 151 Ca 0.10 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.65 1kyx h VAL 151 Cb 0.14 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1kyx h VAL 151 CO -0.19 0.00 0.20 -0.08 0.02 0.00 0.00 177.57 177.52 1kyx h GLU 152 N -0.02 0.40 0.00 1.57 4.81 -1.02 -1.49 114.58 118.82 1kyx h GLU 152 Ca 0.02 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1kyx h GLU 152 Cb 0.06 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1kyx h GLU 152 CO -0.05 0.26 -0.41 0.52 -0.73 0.00 0.00 179.01 178.60 1kyx h MET 153 N 0.41 0.00 -0.09 1.92 2.86 -0.93 -1.28 114.93 117.82 1kyx h MET 153 Ca 0.16 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1kyx h MET 153 Cb 0.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1kyx h MET 153 CO -0.11 0.41 -0.03 0.78 1.06 0.00 0.00 176.91 179.03 1kyx h GLY 154 N 1.66 0.19 1.04 8.32 0.00 -0.52 -2.71 103.07 111.04 1kyx h GLY 154 Ca -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1kyx h GLY 154 CO 0.05 0.14 0.36 1.41 0.00 0.00 0.00 176.54 178.50 1kyx h LEU 155 N -0.17 1.08 0.00 3.11 3.38 -1.08 -1.93 115.31 119.70 1kyx h LEU 155 Ca 0.02 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1kyx h LEU 155 Cb 0.44 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1kyx h LEU 155 CO 0.01 0.94 0.00 0.29 0.09 0.00 0.00 178.44 179.77 1kyx n LYS 156 N -4.31 0.33 -0.01 1.13 5.02 -0.50 -1.11 118.16 118.70 1kyx n LYS 156 Ca 0.07 0.07 0.02 0.00 -2.02 0.00 0.00 58.31 56.45 1kyx n LYS 156 Cb 0.16 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.55 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 -1.28 2.17 0.07 7.82 0.00 -0.77 -4.11 120.51 124.41 1kyx n ALA 157 Ca 0.11 -0.73 -0.21 0.00 0.00 0.00 0.00 53.44 52.61 1kyx n ALA 157 Cb 0.18 -0.69 -0.15 0.00 0.00 0.00 0.00 19.45 18.80 1kyx n ALA 157 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1kyx h LEU 158 N 0.00 0.55 -0.49 0.00 3.38 -0.95 -3.52 115.31 114.29 1kyx h LEU 158 Ca -0.20 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 56.97 1kyx h LEU 158 Cb 1.52 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1kyx h LEU 158 CO 0.02 1.67 0.00 -1.22 0.09 0.00 0.00 178.44 179.00