#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 4.30 -0.07 0.64 1.43 -1.26 -5.09 118.68 118.63 1kyx s LEU 13 Ca 0.00 0.51 0.05 0.00 -1.03 0.00 0.00 54.13 53.66 1kyx s LEU 13 Cb 0.00 -2.29 -0.00 0.00 0.03 0.00 0.00 46.19 43.93 1kyx s LEU 13 CO 0.00 0.21 -0.22 -0.54 0.23 0.00 0.00 176.35 176.02 1kyx s LYS 14 N -0.05 2.49 -0.47 1.70 -0.14 -1.26 -4.49 119.74 117.53 1kyx s LYS 14 Ca 0.16 -0.81 0.08 0.00 -1.36 0.00 0.00 55.97 54.04 1kyx s LYS 14 Cb -0.13 -2.03 0.27 0.00 -1.68 0.00 0.00 37.83 34.26 1kyx s LYS 14 CO 0.04 0.27 0.64 0.41 -0.76 0.00 0.00 175.35 175.95 1kyx n GLY 15 N 3.22 3.66 0.30 -3.33 0.00 0.73 -4.95 105.19 104.83 1kyx n GLY 15 Ca -0.18 -1.99 0.18 0.00 0.00 0.00 0.00 46.02 44.02 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 3.86 0.00 -0.28 1.61 0.13 -1.71 -2.59 132.00 133.02 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 0.02 0.00 0.39 -0.23 0.00 0.00 178.00 178.78 1kyx n GLU 17 N -3.49 2.41 -2.52 0.86 1.02 -1.26 -4.43 120.64 113.23 1kyx n GLU 17 Ca -0.03 -2.16 -0.39 0.00 -0.02 0.00 0.00 57.16 54.57 1kyx n GLU 17 Cb 0.12 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 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 -1.61 4.47 -0.25 -4.62 1.43 -0.98 -5.03 118.68 112.10 1kyx s LEU 18 Ca 0.35 2.18 -0.04 0.00 -1.03 0.00 0.00 54.13 55.58 1kyx s LEU 18 Cb 0.21 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1kyx s LEU 18 CO 0.30 -0.19 -0.00 -0.13 0.23 0.00 0.00 176.35 176.56 1kyx s ARG 19 N -1.66 3.21 -0.10 1.70 0.52 -1.26 -4.73 118.95 116.63 1kyx s ARG 19 Ca 0.47 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 54.95 1kyx s ARG 19 Cb -0.29 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 32.04 1kyx s ARG 19 CO 0.37 -0.31 -0.15 0.42 0.02 0.00 0.00 175.30 175.65 1kyx s ILE 20 N 1.46 2.90 -0.10 1.52 -1.09 -0.58 0.04 121.20 125.36 1kyx s ILE 20 Ca 0.04 -0.73 -0.02 0.00 -2.23 0.00 0.00 60.65 57.70 1kyx s ILE 20 Cb -0.16 -2.18 -0.03 0.00 -1.58 0.00 0.00 42.46 38.51 1kyx s ILE 20 CO -0.01 0.55 0.00 -0.22 -1.23 0.00 0.00 174.94 174.03 1kyx s LEU 21 N 0.05 3.58 -0.15 2.97 2.96 -0.71 -1.04 118.68 126.35 1kyx s LEU 21 Ca -0.06 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 1kyx s LEU 21 Cb -0.15 -1.83 0.03 0.00 0.50 0.00 0.00 46.19 44.74 1kyx s LEU 21 CO 0.05 0.35 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.69 1kyx s ILE 22 N -0.70 1.36 -0.15 6.68 1.01 0.51 -0.85 121.20 129.06 1kyx s ILE 22 Ca 0.11 -0.58 -0.00 0.00 0.00 0.00 0.00 60.65 60.18 1kyx s ILE 22 Cb -0.12 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 1kyx s ILE 22 CO 0.02 0.35 -0.14 -0.69 0.00 0.00 0.00 174.94 174.49 1kyx s VAL 23 N 1.56 2.86 0.06 2.92 1.01 -0.72 -0.35 120.40 127.73 1kyx s VAL 23 Ca 0.04 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1kyx s VAL 23 Cb -0.13 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1kyx s VAL 23 CO -0.09 0.51 -0.11 -1.38 0.00 0.00 0.00 175.10 174.03 1kyx s HIS 24 N 0.65 0.97 0.77 5.22 -3.43 -0.61 -0.93 115.29 117.93 1kyx s HIS 24 Ca -0.07 -0.47 -0.09 0.00 -0.80 0.00 0.00 55.06 53.63 1kyx s HIS 24 Cb -0.16 -0.56 0.09 0.00 -1.43 0.00 0.00 32.58 30.53 1kyx s HIS 24 CO 0.02 -0.01 1.10 0.00 -2.00 0.00 0.00 174.74 173.86 1kyx s ALA 25 N -1.28 2.91 -0.95 -1.38 0.00 -0.62 -1.59 121.76 118.86 1kyx s ALA 25 Ca -0.05 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 51.07 1kyx s ALA 25 Cb -0.10 -2.70 0.19 0.00 0.00 0.00 0.00 23.12 20.52 1kyx s ALA 25 CO 0.01 -1.58 1.06 0.54 0.00 0.00 0.00 175.76 175.80 1kyx n ARG 26 N -3.15 1.92 -2.81 0.00 1.74 -0.06 -4.81 116.66 109.49 1kyx n ARG 26 Ca 0.09 -1.63 -0.40 0.00 -0.77 0.00 0.00 57.85 55.14 1kyx n ARG 26 Cb 0.60 -1.21 -0.05 0.00 -1.02 0.00 0.00 32.46 30.78 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 -0.92 3.89 -1.21 -1.55 0.52 -1.20 -3.75 118.94 114.72 1kyx s TRP 27 Ca 0.17 1.78 -0.00 0.00 0.02 0.00 0.00 56.10 58.07 1kyx s TRP 27 Cb 0.09 -2.95 -0.00 0.00 -1.15 0.00 0.00 33.47 29.47 1kyx s TRP 27 CO 0.13 0.37 0.97 0.09 0.02 0.00 0.00 176.95 178.53 1kyx n ASN 28 N 2.07 -1.96 -0.28 2.95 5.03 -1.26 -4.55 115.26 117.25 1kyx n ASN 28 Ca -0.01 -0.64 0.13 0.00 0.87 0.00 0.00 54.58 54.93 1kyx n ASN 28 Cb 0.48 -5.04 0.38 0.00 -1.02 0.00 0.00 39.78 34.59 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 -1.90 0.65 -2.57 3.41 3.38 -1.92 -1.15 115.31 115.22 1kyx h LEU 29 Ca -0.59 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.44 1kyx h LEU 29 Cb 1.34 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 1kyx h LEU 29 CO 0.51 0.31 0.10 0.06 0.09 0.00 0.00 178.44 179.50 1kyx h GLN 30 N 0.67 0.00 0.02 1.13 3.07 -1.93 -0.89 115.11 117.18 1kyx h GLN 30 Ca 0.47 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.86 1kyx h GLN 30 Cb 0.80 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.30 1kyx h GLN 30 CO -0.22 0.00 -2.14 0.00 0.09 0.00 0.00 178.83 176.56 1kyx n ALA 31 N -2.15 1.37 0.26 0.06 0.00 -0.47 -4.45 120.51 115.12 1kyx n ALA 31 Ca -0.02 -0.99 -0.15 0.00 0.00 0.00 0.00 53.44 52.28 1kyx n ALA 31 Cb 0.18 -0.45 -0.08 0.00 0.00 0.00 0.00 19.45 19.09 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 0.01 0.53 -0.40 0.00 1.08 -0.79 -3.22 117.51 114.72 1kyx h ILE 32 Ca -0.46 -0.19 0.07 0.00 -0.39 0.00 0.00 64.86 63.89 1kyx h ILE 32 Cb 2.07 0.62 -0.09 0.00 -3.07 0.00 0.00 36.82 36.35 1kyx h ILE 32 CO 0.03 0.03 -0.44 -0.33 -0.69 0.00 0.00 178.15 176.76 1kyx h GLU 33 N -0.74 -0.32 -0.99 2.37 5.08 -1.49 -0.30 114.58 118.18 1kyx h GLU 33 Ca -0.06 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.46 1kyx h GLU 33 Cb 0.54 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.77 1kyx h GLU 33 CO 0.10 -0.22 0.61 -1.35 -1.00 0.00 0.00 179.01 177.16 1kyx h PRO 34 N -0.34 0.89 -0.06 2.33 0.11 -1.78 -0.02 132.00 133.14 1kyx h PRO 34 Ca 0.13 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 1kyx h PRO 34 Cb 0.59 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 1kyx h PRO 34 CO -0.57 0.59 0.03 -0.07 -0.21 0.00 0.00 178.00 177.76 1kyx h LEU 35 N 0.92 0.08 -0.03 2.35 3.38 -1.13 0.32 115.31 121.20 1kyx h LEU 35 Ca 0.51 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.35 1kyx h LEU 35 Cb 0.59 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1kyx h LEU 35 CO -0.30 0.20 -0.02 0.58 0.09 0.00 0.00 178.44 178.99 1kyx h VAL 36 N -0.05 0.94 -0.02 1.22 2.07 -0.52 -1.74 116.25 118.15 1kyx h VAL 36 Ca 0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1kyx h VAL 36 Cb 0.14 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1kyx h VAL 36 CO -0.00 0.00 -0.22 0.50 0.02 0.00 0.00 177.57 177.87 1kyx h LYS 37 N -0.02 -0.32 -0.85 1.57 3.64 -0.91 -0.17 116.57 119.51 1kyx h LYS 37 Ca 0.02 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 1kyx h LYS 37 Cb 0.05 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.88 1kyx h LYS 37 CO -0.04 -0.21 0.55 0.78 -2.27 0.00 0.00 179.45 178.26 1kyx h GLY 38 N -0.33 1.21 0.76 5.01 0.00 -0.81 0.67 103.07 109.58 1kyx h GLY 38 Ca 0.07 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 1kyx h GLY 38 CO -0.22 0.26 -0.14 0.00 0.00 0.00 0.00 176.54 176.44 1kyx h ALA 39 N 1.55 0.23 0.56 3.60 0.00 -0.70 -2.23 119.26 122.26 1kyx h ALA 39 Ca 0.37 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1kyx h ALA 39 Cb 0.27 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1kyx h ALA 39 CO -0.14 0.11 -0.27 0.28 0.00 0.00 0.00 179.25 179.23 1kyx h VAL 40 N 0.02 0.45 -0.74 0.00 2.07 -0.51 -2.19 116.25 115.35 1kyx h VAL 40 Ca 0.03 -0.06 0.11 0.00 0.82 0.00 0.00 66.70 67.60 1kyx h VAL 40 Cb 0.67 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 1kyx h VAL 40 CO 0.04 0.01 0.36 -0.33 0.02 0.00 0.00 177.57 177.66 1kyx h GLU 41 N -0.78 0.56 -0.52 1.57 5.08 -0.95 -1.57 114.58 117.96 1kyx h GLU 41 Ca -0.08 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1kyx h GLU 41 Cb 0.59 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1kyx h GLU 41 CO 0.13 0.37 0.23 1.15 -1.00 0.00 0.00 179.01 179.88 1kyx h THR 42 N 0.58 1.21 -0.55 1.13 2.02 -1.30 0.19 112.91 116.19 1kyx h THR 42 Ca 0.38 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1kyx h THR 42 Cb 0.46 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1kyx h THR 42 CO -0.31 0.24 0.27 0.24 0.37 0.00 0.00 175.52 176.33 1kyx h MET 43 N 0.70 0.78 0.47 6.66 2.86 -0.73 0.02 114.93 125.70 1kyx h MET 43 Ca 0.18 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1kyx h MET 43 Cb 0.16 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1kyx h MET 43 CO -0.02 0.63 -0.23 0.82 1.06 0.00 0.00 176.91 179.18 1kyx h ILE 44 N 0.74 0.00 0.00 -1.22 2.04 -1.14 -1.79 117.51 116.14 1kyx h ILE 44 Ca 0.19 -0.44 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 1kyx h ILE 44 Cb 0.10 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 1kyx h ILE 44 CO -0.03 0.00 -0.30 -0.33 0.00 0.00 0.00 178.15 177.50 1kyx h GLU 45 N -1.07 0.00 0.00 2.37 5.08 -0.67 -2.49 114.58 117.80 1kyx h GLU 45 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1kyx h GLU 45 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1kyx h GLU 45 CO 0.11 0.30 -0.52 1.63 -1.00 0.00 0.00 179.01 179.52 1kyx n LYS 46 N -3.85 3.82 0.00 2.33 5.02 -0.01 -4.69 118.16 120.78 1kyx n LYS 46 Ca -0.01 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1kyx n LYS 46 Cb 0.38 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 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 -1.28 0.00 -3.17 2.13 8.25 -0.77 -4.83 115.22 115.56 1kyx n HIS 47 Ca 0.01 -0.08 -0.22 0.00 -0.26 0.00 0.00 57.72 57.17 1kyx n HIS 47 Cb 0.13 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.28 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 -0.08 -6.08 -4.80 0.41 10.43 -0.94 -0.19 116.55 115.30 1kyx n ASP 48 Ca 0.00 -0.35 -0.36 0.00 2.57 0.00 0.00 54.79 56.64 1kyx n ASP 48 Cb 0.12 -4.84 -0.06 0.00 1.84 0.00 0.00 41.12 38.19 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 -3.21 4.39 -0.14 2.53 1.01 -0.75 -3.21 120.40 121.02 1kyx s VAL 49 Ca 0.38 1.56 -0.20 0.00 0.00 0.00 0.00 61.98 63.71 1kyx s VAL 49 Cb -0.17 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1kyx s VAL 49 CO 0.47 0.17 0.58 -0.54 0.00 0.00 0.00 175.10 175.78 1kyx s LYS 50 N -2.02 4.31 0.38 2.72 1.02 -1.26 -4.27 119.74 120.61 1kyx s LYS 50 Ca 0.47 0.59 0.20 0.00 0.02 0.00 0.00 55.97 57.26 1kyx s LYS 50 Cb -0.18 -3.49 1.23 0.00 -0.52 0.00 0.00 37.83 34.88 1kyx s LYS 50 CO 0.22 -0.01 1.64 1.25 -0.92 0.00 0.00 175.35 177.53 1kyx h LEU 51 N 7.29 0.40 -0.21 3.17 6.46 -1.96 0.73 115.31 131.18 1kyx h LEU 51 Ca -0.37 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1kyx h LEU 51 Cb 1.17 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 1kyx h LEU 51 CO 0.76 -0.19 0.00 -1.84 -0.62 0.00 0.00 178.44 176.55 1kyx n GLU 52 N -4.96 0.22 -0.09 1.25 0.00 -1.26 -2.84 120.64 112.95 1kyx n GLU 52 Ca 0.34 0.26 0.09 0.00 0.00 0.00 0.00 57.16 57.85 1kyx n GLU 52 Cb 1.16 -1.79 0.33 0.00 0.00 0.00 0.00 31.44 31.14 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 -2.18 1.46 -4.18 -1.84 3.02 0.25 -4.76 115.26 107.04 1kyx n ASN 53 Ca 0.05 -1.75 -0.36 0.00 -0.03 0.00 0.00 54.58 52.48 1kyx n ASN 53 Cb 0.36 -0.12 -0.12 0.00 -0.61 0.00 0.00 39.78 39.28 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 -1.76 3.32 0.06 2.41 1.01 -1.13 -1.53 121.20 123.57 1kyx s ILE 54 Ca 0.29 -1.60 -0.21 0.00 0.00 0.00 0.00 60.65 59.13 1kyx s ILE 54 Cb 0.15 -3.05 -0.06 0.00 0.01 0.00 0.00 42.46 39.51 1kyx s ILE 54 CO 0.22 -0.37 0.62 -1.81 0.00 0.00 0.00 174.94 173.61 1kyx s ASP 55 N 1.55 7.10 -0.18 3.58 -0.00 -0.21 -4.98 116.67 123.54 1kyx s ASP 55 Ca 0.01 1.30 0.00 0.00 -0.00 0.00 0.00 52.55 53.87 1kyx s ASP 55 Cb -0.21 -2.39 0.04 0.00 -0.00 0.00 0.00 42.92 40.36 1kyx s ASP 55 CO -0.01 0.20 -0.10 -0.63 -0.00 0.00 0.00 175.17 174.63 1kyx s ILE 56 N -0.79 1.48 0.32 0.77 1.01 -1.26 -0.37 121.20 122.36 1kyx s ILE 56 Ca 0.31 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 60.22 1kyx s ILE 56 Cb -0.20 -1.54 -0.06 0.00 0.01 0.00 0.00 42.46 40.67 1kyx s ILE 56 CO 0.20 0.24 -0.04 -1.61 0.00 0.00 0.00 174.94 173.73 1kyx s GLU 57 N 1.48 1.67 0.06 2.79 2.02 0.52 -4.99 118.70 122.26 1kyx s GLU 57 Ca 0.01 -1.88 -0.00 0.00 0.02 0.00 0.00 54.97 53.12 1kyx s GLU 57 Cb -0.15 -1.28 -0.04 0.00 0.10 0.00 0.00 34.13 32.76 1kyx s GLU 57 CO -0.09 0.01 -0.04 -1.54 0.02 0.00 0.00 175.26 173.62 1kyx s SER 58 N -3.52 0.63 0.17 -0.19 1.04 -1.26 -1.57 113.70 109.00 1kyx s SER 58 Ca 0.32 -0.95 0.02 0.00 0.48 0.00 0.00 55.95 55.82 1kyx s SER 58 Cb 0.05 0.16 -0.05 0.00 0.10 0.00 0.00 66.02 66.29 1kyx s SER 58 CO 0.14 -0.54 -0.01 0.68 0.98 0.00 0.00 173.24 174.50 1kyx s VAL 59 N -3.61 0.73 0.02 5.02 -7.23 -0.62 -4.91 120.40 109.80 1kyx s VAL 59 Ca 0.06 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 58.15 1kyx s VAL 59 Cb 0.06 -2.10 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 1kyx s VAL 59 CO -0.08 -0.50 1.14 -0.65 -0.31 0.00 0.00 175.10 174.70 1kyx h PRO 60 N 2.70 -0.27 -5.09 4.82 0.11 -1.94 -2.17 132.00 130.15 1kyx h PRO 60 Ca -0.37 0.02 -0.54 0.00 0.11 0.00 0.00 66.00 65.22 1kyx h PRO 60 Cb 1.20 0.06 -0.13 0.00 0.11 0.00 0.00 31.00 32.24 1kyx h PRO 60 CO 0.63 -0.18 -0.54 0.20 -0.21 0.00 0.00 178.00 177.90 1kyx s GLY 61 N -1.28 2.49 0.56 -0.55 0.00 -1.26 -0.88 107.32 106.40 1kyx s GLY 61 Ca -0.05 -1.40 0.27 0.00 0.00 0.00 0.00 44.72 43.54 1kyx s GLY 61 CO 0.16 -1.84 2.01 1.76 0.00 0.00 0.00 173.10 175.19 1kyx h SER 62 N 1.85 0.00 -0.79 1.64 0.02 -1.91 -0.95 113.55 113.41 1kyx h SER 62 Ca -0.37 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 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 0.61 0.00 0.41 -0.25 -1.14 0.00 0.00 176.83 176.46 1kyx h TRP 63 N 0.00 1.11 0.00 3.45 2.91 -1.96 -2.69 115.95 118.78 1kyx h TRP 63 Ca 0.18 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.16 1kyx h TRP 63 Cb 0.83 -0.35 0.00 0.00 -0.51 0.00 0.00 29.16 29.13 1kyx h TRP 63 CO 0.00 0.79 0.00 0.39 -1.03 0.00 0.00 178.44 178.59 1kyx n GLU 64 N -4.33 0.17 0.01 2.65 4.71 -0.37 -4.14 120.64 119.34 1kyx n GLU 64 Ca 0.08 0.26 -0.12 0.00 -0.01 0.00 0.00 57.16 57.37 1kyx n GLU 64 Cb 0.12 -1.75 -0.06 0.00 -1.01 0.00 0.00 31.44 28.74 1kyx n GLU 64 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1kyx h LEU 65 N 0.00 -1.26 -1.44 -4.62 4.07 -1.48 0.37 115.31 110.97 1kyx h LEU 65 Ca 0.00 0.17 0.04 0.00 0.08 0.00 0.00 57.88 58.16 1kyx h LEU 65 Cb 0.52 0.51 -0.04 0.00 1.08 0.00 0.00 40.66 42.73 1kyx h LEU 65 CO 0.00 -0.42 0.42 -0.65 -1.08 0.00 0.00 178.44 176.71 1kyx h PRO 66 N -0.48 0.71 -0.10 1.13 0.11 -1.78 -1.35 132.00 130.24 1kyx h PRO 66 Ca 0.08 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 65.93 1kyx h PRO 66 Cb 0.62 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.57 1kyx h PRO 66 CO -0.38 0.47 -0.81 1.96 -0.21 0.00 0.00 178.00 179.03 1kyx h GLN 67 N 0.73 0.63 -0.46 1.05 4.20 -1.60 -2.03 115.11 117.63 1kyx h GLN 67 Ca 0.25 -0.54 -0.03 0.00 0.06 0.00 0.00 58.65 58.39 1kyx h GLN 67 Cb 0.10 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1kyx h GLN 67 CO -0.07 1.16 0.16 0.78 -0.67 0.00 0.00 178.83 180.19 1kyx h GLY 68 N 0.84 0.75 0.97 3.46 0.00 0.21 -2.03 103.07 107.27 1kyx h GLY 68 Ca -0.06 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1kyx h GLY 68 CO 0.15 0.40 0.16 -2.22 0.00 0.00 0.00 176.54 175.03 1kyx h ILE 69 N 0.60 1.23 -0.30 2.60 2.04 -1.25 -2.08 117.51 120.35 1kyx h ILE 69 Ca 0.15 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1kyx h ILE 69 Cb 0.23 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1kyx h ILE 69 CO -0.01 0.28 0.19 -0.09 0.00 0.00 0.00 178.15 178.52 1kyx h ARG 70 N 0.68 0.38 0.06 2.37 2.43 -1.21 -0.91 114.38 118.17 1kyx h ARG 70 Ca 0.16 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1kyx h ARG 70 Cb 0.27 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1kyx h ARG 70 CO -0.01 0.25 -0.08 0.00 -1.51 0.00 0.00 179.97 178.63 1kyx h ALA 71 N 1.11 -0.14 -0.55 2.80 0.00 -1.27 -2.80 119.26 118.41 1kyx h ALA 71 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1kyx h ALA 71 Cb -0.04 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1kyx h ALA 71 CO -0.03 -0.59 0.31 0.77 0.00 0.00 0.00 179.25 179.71 1kyx h SER 72 N -0.17 0.68 0.46 0.00 0.02 -1.10 -2.54 113.55 110.90 1kyx h SER 72 Ca 0.01 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1kyx h SER 72 Cb 0.17 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1kyx h SER 72 CO -0.03 0.57 0.00 2.30 -1.14 0.00 0.00 176.83 178.53 1kyx n ILE 73 N -4.62 0.28 0.05 3.27 -5.35 -0.37 -1.97 119.36 110.64 1kyx n ILE 73 Ca 0.03 0.07 -0.00 0.00 -0.27 0.00 0.00 62.75 62.58 1kyx n ILE 73 Cb 0.08 -0.68 -0.07 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 h ALA 74 N 3.08 0.65 0.00 -1.28 0.00 -1.18 -3.40 119.26 117.13 1kyx h ALA 74 Ca 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 54.91 54.08 1kyx h ALA 74 Cb 0.23 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1kyx h ALA 74 CO 0.00 0.92 -0.32 0.00 0.00 0.00 0.00 179.25 179.85 1kyx h ARG 75 N 0.00 0.00 -6.10 0.00 3.08 -1.21 -3.49 114.38 106.66 1kyx h ARG 75 Ca -0.14 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.36 1kyx h ARG 75 Cb 1.58 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.60 1kyx h ARG 75 CO 0.05 0.08 -0.29 -0.80 -1.07 0.00 0.00 179.97 177.95 1kyx s ASN 76 N -5.73 4.79 -0.21 7.04 0.01 -0.83 -5.12 114.94 114.90 1kyx s ASN 76 Ca -0.09 -1.07 -0.03 0.00 -0.71 0.00 0.00 52.86 50.95 1kyx s ASN 76 Cb 0.01 0.17 -0.01 0.00 0.41 0.00 0.00 41.25 41.83 1kyx s ASN 76 CO 0.16 -1.04 -0.06 -0.89 -1.51 0.00 0.00 177.10 173.77 1kyx s THR 77 N -2.69 3.30 0.24 1.60 2.01 -1.26 -4.53 115.64 114.31 1kyx s THR 77 Ca 0.42 -0.53 0.11 0.00 0.31 0.00 0.00 61.69 62.00 1kyx s THR 77 Cb -0.03 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.95 1kyx s THR 77 CO 0.26 0.44 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.12 1kyx s TYR 78 N 1.31 2.16 -0.12 4.92 2.02 -1.26 -4.88 117.35 121.49 1kyx s TYR 78 Ca 0.04 -0.39 0.18 0.00 -0.37 0.00 0.00 57.07 56.53 1kyx s TYR 78 Cb -0.14 -0.98 -0.20 0.00 -0.40 0.00 0.00 41.96 40.24 1kyx s TYR 78 CO -0.03 0.59 0.58 -0.25 -1.57 0.00 0.00 175.55 174.87 1kyx n ASP 79 N -0.36 0.50 -3.52 2.29 9.92 0.11 -4.98 116.55 120.52 1kyx n ASP 79 Ca -0.07 0.22 -0.17 0.00 -0.53 0.00 0.00 54.79 54.24 1kyx n ASP 79 Cb 0.59 0.69 -0.06 0.00 -0.64 0.00 0.00 41.12 41.70 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 -2.92 -1.77 0.02 2.24 0.00 -1.23 -4.24 121.76 113.85 1kyx s ALA 80 Ca -0.06 1.28 0.07 0.00 0.00 0.00 0.00 51.96 53.26 1kyx s ALA 80 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1kyx s ALA 80 CO 0.83 -0.39 -0.20 0.08 0.00 0.00 0.00 175.76 176.08 1kyx s VAL 81 N -1.37 1.61 -0.17 0.00 1.01 -0.01 -1.73 120.40 119.74 1kyx s VAL 81 Ca -0.09 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.84 1kyx s VAL 81 Cb -0.00 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1kyx s VAL 81 CO 0.08 0.30 -0.19 -0.63 0.00 0.00 0.00 175.10 174.65 1kyx s ILE 82 N -0.67 2.17 -0.28 2.22 1.01 -0.03 0.19 121.20 125.81 1kyx s ILE 82 Ca 0.07 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 1kyx s ILE 82 Cb -0.08 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 1kyx s ILE 82 CO 0.01 0.53 0.24 -0.83 0.00 0.00 0.00 174.94 174.90 1kyx s GLY 83 N 1.15 1.92 -0.09 6.18 0.00 -0.54 -1.75 107.32 114.18 1kyx s GLY 83 Ca 0.01 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 43.74 1kyx s GLY 83 CO -0.09 0.75 -0.24 -0.42 0.00 0.00 0.00 173.10 173.11 1kyx s ILE 84 N 1.85 2.02 0.17 0.90 1.01 -0.10 0.36 121.20 127.40 1kyx s ILE 84 Ca 0.09 -1.00 -0.23 0.00 0.00 0.00 0.00 60.65 59.50 1kyx s ILE 84 Cb -0.16 -1.74 0.06 0.00 0.01 0.00 0.00 42.46 40.63 1kyx s ILE 84 CO 0.11 0.55 0.69 -0.83 0.00 0.00 0.00 174.94 175.46 1kyx s GLY 85 N 0.28 -0.44 -0.13 6.18 0.00 -0.73 -1.58 107.32 110.89 1kyx s GLY 85 Ca -0.17 0.33 -0.02 0.00 0.00 0.00 0.00 44.72 44.87 1kyx s GLY 85 CO 0.08 0.11 0.01 0.14 0.00 0.00 0.00 173.10 173.44 1kyx s VAL 86 N -3.68 0.52 -0.21 1.40 1.01 -1.26 -1.04 120.40 117.14 1kyx s VAL 86 Ca 0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 1kyx s VAL 86 Cb -0.02 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1kyx s VAL 86 CO -0.06 0.05 -0.01 -0.76 0.00 0.00 0.00 175.10 174.31 1kyx s LEU 87 N 1.89 3.15 -0.17 3.92 1.43 0.00 -4.80 118.68 124.10 1kyx s LEU 87 Ca 0.02 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1kyx s LEU 87 Cb -0.15 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 1kyx s LEU 87 CO -0.07 0.04 -0.09 -0.63 0.23 0.00 0.00 176.35 175.83 1kyx s ILE 88 N 1.15 3.22 0.17 -0.59 1.01 -1.26 -1.52 121.20 123.37 1kyx s ILE 88 Ca 0.02 -0.58 -0.34 0.00 0.00 0.00 0.00 60.65 59.76 1kyx s ILE 88 Cb -0.14 -2.40 -0.14 0.00 0.01 0.00 0.00 42.46 39.78 1kyx s ILE 88 CO 0.01 0.49 1.51 1.17 0.00 0.00 0.00 174.94 178.12 1kyx n LYS 89 N 3.99 2.00 0.00 2.79 3.00 -0.42 -4.88 118.16 124.64 1kyx n LYS 89 Ca -0.18 0.72 0.00 0.00 -0.00 0.00 0.00 58.31 58.85 1kyx n LYS 89 Cb 0.52 -2.45 0.00 0.00 0.00 0.00 0.00 35.03 33.10 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 3.06 4.24 0.20 3.14 0.00 -1.26 -4.84 105.19 109.73 1kyx n GLY 90 Ca 0.16 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.85 1.61 0.02 -2.02 -3.47 113.55 105.84 1kyx h SER 91 Ca 0.00 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 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 0.00 -0.01 0.35 -1.14 0.00 0.00 176.83 176.03 1kyx n THR 92 N -2.98 0.00 1.10 -2.27 -2.24 -1.26 -5.01 114.28 101.62 1kyx n THR 92 Ca 0.03 -0.09 0.12 0.00 -2.27 0.00 0.00 64.05 61.85 1kyx n THR 92 Cb 0.53 -0.73 0.35 0.00 -2.10 0.00 0.00 70.33 68.38 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 1.94 -0.14 -0.78 0.00 -1.26 -4.39 117.12 111.69 1kyx n MET 93 Ca 0.00 -1.40 -0.06 0.00 0.00 0.00 0.00 57.70 56.24 1kyx n MET 93 Cb 0.03 -1.45 0.00 0.00 0.00 0.00 0.00 33.22 31.80 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 3.03 -0.79 -0.71 2.03 -0.00 -1.96 -1.59 115.15 115.16 1kyx h HIS 94 Ca 0.00 0.06 0.14 0.00 -0.00 0.00 0.00 60.37 60.57 1kyx h HIS 94 Cb 0.66 0.41 -0.13 0.00 -0.00 0.00 0.00 27.41 28.35 1kyx h HIS 94 CO 0.09 -0.36 -0.24 0.35 -0.00 0.00 0.00 177.93 177.78 1kyx h PHE 95 N -0.19 -0.57 0.01 5.26 3.57 -1.90 -0.67 116.94 122.44 1kyx h PHE 95 Ca 0.20 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 1kyx h PHE 95 Cb 0.52 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.62 1kyx h PHE 95 CO -0.54 -0.34 -0.00 0.93 -2.23 0.00 0.00 178.31 176.13 1kyx h GLU 96 N -0.04 -0.01 -0.23 1.11 3.07 -1.61 -1.69 114.58 115.17 1kyx h GLU 96 Ca 0.32 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 59.00 1kyx h GLU 96 Cb 0.55 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1kyx h GLU 96 CO -0.75 -0.00 -0.58 1.88 -1.40 0.00 0.00 179.01 178.16 1kyx h TYR 97 N -0.02 0.94 -0.25 4.33 0.05 -1.14 -2.31 116.97 118.57 1kyx h TYR 97 Ca -0.00 -0.34 -0.03 0.00 0.05 0.00 0.00 58.73 58.40 1kyx h TYR 97 Cb 0.02 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 1kyx h TYR 97 CO -0.08 1.14 0.03 0.82 -1.05 0.00 0.00 178.16 179.02 1kyx h ILE 98 N 0.56 1.24 -0.26 -2.88 2.04 -1.16 -1.51 117.51 115.54 1kyx h ILE 98 Ca 0.00 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.10 1kyx h ILE 98 Cb 1.16 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 38.47 1kyx h ILE 98 CO 0.12 0.26 -0.13 0.28 0.00 0.00 0.00 178.15 178.68 1kyx h SER 99 N 0.23 -0.44 -0.57 1.72 0.02 -1.27 0.23 113.55 113.47 1kyx h SER 99 Ca 0.08 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1kyx h SER 99 Cb 0.36 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 1kyx h SER 99 CO 0.01 -0.17 0.31 -0.08 -1.14 0.00 0.00 176.83 175.76 1kyx h GLU 100 N -0.10 0.80 -0.48 3.45 4.81 -1.37 -1.79 114.58 119.91 1kyx h GLU 100 Ca 0.14 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1kyx h GLU 100 Cb 0.31 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1kyx h GLU 100 CO -0.32 0.62 -0.09 0.00 -0.73 0.00 0.00 179.01 178.49 1kyx h ALA 101 N 1.14 0.66 -0.22 2.92 0.00 -0.46 -2.43 119.26 120.86 1kyx h ALA 101 Ca 0.20 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1kyx h ALA 101 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1kyx h ALA 101 CO -0.03 0.54 -0.00 0.28 0.00 0.00 0.00 179.25 180.04 1kyx h VAL 102 N 0.76 1.26 -0.81 0.00 2.07 -0.45 0.20 116.25 119.27 1kyx h VAL 102 Ca 0.12 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1kyx h VAL 102 Cb 0.64 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 1kyx h VAL 102 CO 0.04 0.28 0.53 0.58 0.02 0.00 0.00 177.57 179.02 1kyx h VAL 103 N 0.16 1.15 -0.29 2.57 2.07 -1.33 0.83 116.25 121.41 1kyx h VAL 103 Ca 0.06 -0.36 -0.14 0.00 0.82 0.00 0.00 66.70 67.08 1kyx h VAL 103 Cb 0.41 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1kyx h VAL 103 CO 0.01 0.19 -0.39 0.45 0.02 0.00 0.00 177.57 177.85 1kyx h HIS 104 N 1.04 0.81 -0.64 1.57 -0.00 -1.32 -2.66 115.15 113.95 1kyx h HIS 104 Ca 0.32 -0.23 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1kyx h HIS 104 Cb -0.04 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.17 1kyx h HIS 104 CO -0.02 0.96 0.40 0.78 -0.00 0.00 0.00 177.93 180.05 1kyx h GLY 105 N 0.98 0.93 0.92 2.45 0.00 -0.00 -0.26 103.07 108.08 1kyx h GLY 105 Ca 0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1kyx h GLY 105 CO 0.08 0.37 0.12 1.41 0.00 0.00 0.00 176.54 178.52 1kyx h LEU 106 N 0.87 0.44 -0.55 3.11 3.38 -0.78 -0.84 115.31 120.94 1kyx h LEU 106 Ca 0.23 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1kyx h LEU 106 Cb -0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1kyx h LEU 106 CO -0.05 0.50 0.36 -0.03 0.09 0.00 0.00 178.44 179.31 1kyx h MET 107 N 0.36 0.73 -0.39 1.13 4.05 -1.31 -1.65 114.93 117.84 1kyx h MET 107 Ca 0.10 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1kyx h MET 107 Cb 0.20 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1kyx h MET 107 CO -0.01 0.49 0.23 -0.09 0.23 0.00 0.00 176.91 177.76 1kyx h ARG 108 N 0.74 0.53 -0.96 0.39 2.43 -0.73 -0.86 114.38 115.93 1kyx h ARG 108 Ca 0.20 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1kyx h ARG 108 Cb -0.08 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.32 1kyx h ARG 108 CO -0.04 0.41 0.61 0.28 -1.51 0.00 0.00 179.97 179.71 1kyx h VAL 109 N 0.51 1.25 -0.49 0.20 2.07 -0.93 0.12 116.25 118.99 1kyx h VAL 109 Ca 0.14 -0.50 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 1kyx h VAL 109 Cb 0.01 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.63 1kyx h VAL 109 CO -0.03 0.25 -0.10 1.23 0.02 0.00 0.00 177.57 178.95 1kyx h GLY 110 N 1.31 1.01 2.00 2.17 0.00 -0.93 -2.37 103.07 106.25 1kyx h GLY 110 Ca 0.35 -0.82 -0.14 0.00 0.00 0.00 0.00 47.33 46.72 1kyx h GLY 110 CO -0.07 0.75 -0.66 1.41 0.00 0.00 0.00 176.54 177.97 1kyx h LEU 111 N 0.79 0.00 -0.10 3.11 3.38 -0.68 -1.22 115.31 120.58 1kyx h LEU 111 Ca 0.13 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.86 1kyx h LEU 111 Cb 0.65 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.42 1kyx h LEU 111 CO 0.04 0.66 -0.84 0.44 0.09 0.00 0.00 178.44 178.83 1kyx h ASP 112 N 0.00 0.91 0.80 -0.43 5.19 -0.77 -3.35 116.42 118.77 1kyx h ASP 112 Ca -0.01 -0.67 -0.19 0.00 -0.62 0.00 0.00 57.03 55.54 1kyx h ASP 112 Cb 1.33 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 40.53 1kyx h ASP 112 CO 0.09 1.44 -1.31 0.77 -3.12 0.00 0.00 179.24 177.11 1kyx h SER 113 N 0.45 0.00 0.00 6.45 4.64 -1.45 -3.48 113.55 120.16 1kyx h SER 113 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1kyx h SER 113 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 1kyx h SER 113 CO 0.17 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.46 1kyx n GLY 114 N 1.40 0.78 3.68 -0.77 0.00 -0.47 -5.02 105.19 104.79 1kyx n GLY 114 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.90 5.33 0.09 1.61 1.01 -1.21 -5.04 120.40 119.30 1kyx s VAL 115 Ca 0.00 0.31 -0.33 0.00 0.00 0.00 0.00 61.98 61.96 1kyx s VAL 115 Cb 0.00 -3.55 -0.12 0.00 0.00 0.00 0.00 36.38 32.71 1kyx s VAL 115 CO 0.00 0.35 1.74 -2.65 0.00 0.00 0.00 175.10 174.54 1kyx n PRO 116 N 4.13 2.40 -3.93 2.72 -0.02 -1.26 -4.51 135.00 134.54 1kyx n PRO 116 Ca -0.14 0.87 -0.35 0.00 -2.02 0.00 0.00 63.50 61.86 1kyx n PRO 116 Cb 0.52 -2.70 -0.14 0.00 -0.02 0.00 0.00 33.50 31.16 1kyx n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1kyx s VAL 117 N 2.23 3.05 -0.02 -1.45 1.01 -1.26 -0.83 120.40 123.13 1kyx s VAL 117 Ca 0.83 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 61.60 1kyx s VAL 117 Cb -0.61 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1kyx s VAL 117 CO 0.41 0.17 0.67 -0.63 0.00 0.00 0.00 175.10 175.72 1kyx s ILE 118 N 1.35 4.93 -0.58 2.22 1.09 0.13 -4.97 121.20 125.37 1kyx s ILE 118 Ca 0.00 1.40 -0.26 0.00 -1.10 0.00 0.00 60.65 60.70 1kyx s ILE 118 Cb -0.17 -4.01 0.04 0.00 -1.06 0.00 0.00 42.46 37.26 1kyx s ILE 118 CO -0.03 0.34 1.07 -0.22 -0.10 0.00 0.00 174.94 175.99 1kyx s LEU 119 N 0.24 3.79 -0.39 2.97 2.96 -1.26 -1.46 118.68 125.53 1kyx s LEU 119 Ca 0.35 -0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.10 1kyx s LEU 119 Cb -0.18 -2.92 0.46 0.00 0.50 0.00 0.00 46.19 44.04 1kyx s LEU 119 CO 0.19 -1.39 1.40 0.61 -1.32 0.00 0.00 176.35 175.84 1kyx n GLY 120 N 5.13 6.27 3.66 7.98 0.00 0.16 -4.96 105.19 123.42 1kyx n GLY 120 Ca 0.04 -2.58 -0.36 0.00 0.00 0.00 0.00 46.02 43.12 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 -3.66 4.05 -0.19 0.99 2.96 -1.23 -1.77 118.68 119.82 1kyx s LEU 121 Ca 0.54 0.11 -0.09 0.00 -0.22 0.00 0.00 54.13 54.48 1kyx s LEU 121 Cb 0.43 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 45.01 1kyx s LEU 121 CO 0.02 0.09 0.09 -0.76 -1.32 0.00 0.00 176.35 174.48 1kyx s LEU 122 N 0.87 4.00 -0.55 -0.68 1.43 -0.21 -4.95 118.68 118.60 1kyx s LEU 122 Ca 0.07 0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.36 1kyx s LEU 122 Cb -0.13 -2.02 0.14 0.00 0.03 0.00 0.00 46.19 44.20 1kyx s LEU 122 CO 0.03 0.18 0.30 0.42 0.23 0.00 0.00 176.35 177.50 1kyx s THR 123 N 0.37 2.55 0.27 5.49 -4.23 -1.26 -0.82 115.64 118.01 1kyx s THR 123 Ca 0.05 -3.44 0.08 0.00 -1.18 0.00 0.00 61.69 57.21 1kyx s THR 123 Cb -0.12 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.93 1kyx s THR 123 CO -0.01 -0.84 0.13 0.68 -0.54 0.00 0.00 174.62 174.04 1kyx s VAL 124 N -0.45 3.93 -0.02 2.29 -7.23 -0.58 -5.02 120.40 113.31 1kyx s VAL 124 Ca 0.18 -1.59 0.12 0.00 -1.81 0.00 0.00 61.98 58.88 1kyx s VAL 124 Cb -0.22 -3.17 -0.12 0.00 0.56 0.00 0.00 36.38 33.43 1kyx s VAL 124 CO -0.03 -0.33 1.16 -0.07 -0.31 0.00 0.00 175.10 175.52 1kyx h LEU 125 N 1.60 0.00 -8.14 1.32 3.38 -1.92 -1.11 115.31 110.45 1kyx h LEU 125 Ca -0.46 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 1kyx h LEU 125 Cb 1.24 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.89 1kyx h LEU 125 CO 0.61 0.79 -0.18 0.54 0.09 0.00 0.00 178.44 180.28 1kyx s ASN 126 N -6.40 -0.06 0.21 -0.43 2.20 -1.26 -4.19 114.94 105.00 1kyx s ASN 126 Ca 0.00 -0.88 -0.09 0.00 -0.94 0.00 0.00 52.86 50.96 1kyx s ASN 126 Cb 0.09 0.53 0.27 0.00 -2.00 0.00 0.00 41.25 40.14 1kyx s ASN 126 CO 0.80 -1.04 1.77 -0.08 -2.94 0.00 0.00 177.10 175.61 1kyx h GLU 127 N 2.35 0.52 -0.65 3.55 4.57 -1.97 -2.81 114.58 120.15 1kyx h GLU 127 Ca -0.29 -0.03 0.11 0.00 -1.18 0.00 0.00 59.36 57.97 1kyx h GLU 127 Cb 1.25 -0.12 -0.08 0.00 -0.16 0.00 0.00 28.75 29.64 1kyx h GLU 127 CO 0.40 0.35 0.25 0.93 -1.18 0.00 0.00 179.01 179.76 1kyx h GLU 128 N 0.54 0.41 -0.44 1.92 3.07 -1.99 -0.68 114.58 117.40 1kyx h GLU 128 Ca 0.31 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 1kyx h GLU 128 Cb 0.30 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 1kyx h GLU 128 CO -0.25 0.27 0.28 1.96 -1.40 0.00 0.00 179.01 179.87 1kyx h GLN 129 N 0.42 0.59 -0.12 2.33 4.20 -1.92 -1.23 115.11 119.38 1kyx h GLN 129 Ca 0.33 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.94 1kyx h GLN 129 Cb 0.44 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1kyx h GLN 129 CO -0.33 0.40 -0.18 0.00 -0.67 0.00 0.00 178.83 178.05 1kyx h ALA 130 N 1.71 0.18 -0.53 3.87 0.00 -1.16 -2.64 119.26 120.69 1kyx h ALA 130 Ca 0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1kyx h ALA 130 Cb -0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1kyx h ALA 130 CO -0.03 0.10 0.22 -0.07 0.00 0.00 0.00 179.25 179.47 1kyx h LEU 131 N -0.08 0.68 -0.59 0.00 3.38 -0.99 -1.71 115.31 116.00 1kyx h LEU 131 Ca 0.01 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1kyx h LEU 131 Cb 0.75 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1kyx h LEU 131 CO 0.04 0.61 0.17 0.22 0.09 0.00 0.00 178.44 179.57 1kyx h TYR 132 N 0.75 0.96 -0.00 1.13 3.20 -1.20 -0.98 116.97 120.83 1kyx h TYR 132 Ca 0.18 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1kyx h TYR 132 Cb 0.13 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.12 1kyx h TYR 132 CO 0.01 0.80 -0.00 0.54 -1.64 0.00 0.00 178.16 177.87 1kyx n ARG 133 N -4.40 0.65 -0.32 1.82 1.74 -0.85 -2.49 116.66 112.81 1kyx n ARG 133 Ca 0.03 -0.01 0.11 0.00 -0.77 0.00 0.00 57.85 57.22 1kyx n ARG 133 Cb 0.22 -1.50 0.29 0.00 -1.02 0.00 0.00 32.46 30.44 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 -1.17 2.37 -0.36 7.54 0.00 -0.70 -1.10 120.51 127.09 1kyx n ALA 134 Ca 0.18 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.40 1kyx n ALA 134 Cb 0.19 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 1.54 0.68 3.95 0.00 0.00 -1.04 -4.57 105.19 105.76 1kyx n GLY 135 Ca 0.22 0.00 -0.24 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 3.22 -1.67 0.99 1.02 -0.44 -4.18 118.68 117.63 1kyx s LEU 136 Ca 0.00 0.29 -0.14 0.00 0.02 0.00 0.00 54.13 54.30 1kyx s LEU 136 Cb 0.00 -3.10 0.13 0.00 0.02 0.00 0.00 46.19 43.24 1kyx s LEU 136 CO 0.00 -1.16 0.59 0.59 0.02 0.00 0.00 176.35 176.39 1kyx n ASN 137 N -2.48 -1.94 0.00 2.29 3.02 -1.26 -1.20 115.26 113.68 1kyx n ASN 137 Ca 0.06 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1kyx n ASN 137 Cb 0.59 -2.45 0.00 0.00 -0.61 0.00 0.00 39.78 37.31 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 -1.59 0.83 3.97 7.41 0.00 -1.26 -4.98 105.19 109.56 1kyx n GLY 138 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.78 1.77 -0.19 -0.02 0.00 -0.34 -5.08 107.32 101.68 1kyx s GLY 139 Ca 0.00 -1.43 -0.12 0.00 0.00 0.00 0.00 44.72 43.17 1kyx s GLY 139 CO 0.00 -0.95 0.23 -1.58 0.00 0.00 0.00 173.10 170.80 1kyx s HIS 140 N -3.13 3.41 -0.24 1.90 5.65 -1.22 -4.27 115.29 117.38 1kyx s HIS 140 Ca 0.63 0.45 -0.29 0.00 0.25 0.00 0.00 55.06 56.10 1kyx s HIS 140 Cb -0.07 -2.30 -0.02 0.00 -1.18 0.00 0.00 32.58 29.01 1kyx s HIS 140 CO 0.44 0.19 1.50 1.21 -0.65 0.00 0.00 174.74 177.42 1kyx s ASN 141 N 0.63 6.51 0.37 9.88 3.84 -1.26 -3.75 114.94 131.16 1kyx s ASN 141 Ca 0.13 1.51 0.27 0.00 0.21 0.00 0.00 52.86 54.98 1kyx s ASN 141 Cb -0.13 -2.53 1.03 0.00 -0.55 0.00 0.00 41.25 39.07 1kyx s ASN 141 CO 0.03 -1.16 1.81 0.45 -2.79 0.00 0.00 177.10 175.43 1kyx h HIS 142 N 10.09 0.00 -0.31 0.43 3.86 -1.43 -2.97 115.15 124.82 1kyx h HIS 142 Ca -0.31 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.90 1kyx h HIS 142 Cb 1.13 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.59 1kyx h HIS 142 CO 0.89 0.00 0.19 0.78 0.86 0.00 0.00 177.93 180.65 1kyx h GLY 143 N 2.67 0.45 0.98 2.45 0.00 -1.80 -1.96 103.07 105.85 1kyx h GLY 143 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1kyx h GLY 143 CO 0.00 0.17 0.13 3.43 0.00 0.00 0.00 176.54 180.27 1kyx h ASN 144 N 0.43 0.25 -0.43 0.19 -0.26 -1.64 -1.00 115.58 113.11 1kyx h ASN 144 Ca 0.11 -0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.79 1kyx h ASN 144 Cb -0.02 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 1kyx h ASN 144 CO -0.02 0.22 0.19 0.44 -1.06 0.00 0.00 177.43 177.20 1kyx h ASP 145 N 0.26 0.63 -0.21 5.81 3.32 -1.55 -2.27 116.42 122.41 1kyx h ASP 145 Ca 0.08 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 1kyx h ASP 145 Cb 0.01 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1kyx h ASP 145 CO -0.01 0.57 -0.31 -0.50 -1.72 0.00 0.00 179.24 177.27 1kyx h TRP 146 N 0.69 0.83 -0.07 4.55 6.55 -0.93 -1.32 115.95 126.24 1kyx h TRP 146 Ca 0.17 -0.21 -0.00 0.00 0.95 0.00 0.00 58.89 59.79 1kyx h TRP 146 Cb 0.14 -0.19 -0.00 0.00 -0.86 0.00 0.00 29.16 28.25 1kyx h TRP 146 CO 0.01 0.93 0.04 0.78 -1.05 0.00 0.00 178.44 179.15 1kyx h GLY 147 N 0.97 0.11 1.17 1.49 0.00 -0.66 0.43 103.07 106.59 1kyx h GLY 147 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1kyx h GLY 147 CO 0.07 0.05 0.37 1.76 0.00 0.00 0.00 176.54 178.79 1kyx h SER 148 N 0.02 0.97 -0.49 0.19 0.02 -1.30 -2.34 113.55 110.61 1kyx h SER 148 Ca 0.03 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 1kyx h SER 148 Cb 0.09 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1kyx h SER 148 CO -0.00 0.81 0.13 0.00 -1.14 0.00 0.00 176.83 176.63 1kyx h ALA 149 N 1.34 0.64 -0.35 3.77 0.00 -0.82 -1.17 119.26 122.67 1kyx h ALA 149 Ca 0.26 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1kyx h ALA 149 Cb 0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1kyx h ALA 149 CO -0.04 0.32 0.07 0.00 0.00 0.00 0.00 179.25 179.60 1kyx h ALA 150 N 0.99 0.37 -0.04 0.00 0.00 -0.61 -0.62 119.26 119.37 1kyx h ALA 150 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1kyx h ALA 150 Cb 0.31 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1kyx h ALA 150 CO -0.00 -0.34 0.03 0.28 0.00 0.00 0.00 179.25 179.22 1kyx h VAL 151 N 0.19 1.01 -0.67 0.00 2.07 -1.12 0.77 116.25 118.49 1kyx h VAL 151 Ca 0.17 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1kyx h VAL 151 Cb 0.19 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1kyx h VAL 151 CO -0.22 0.01 0.42 -0.08 0.02 0.00 0.00 177.57 177.72 1kyx h GLU 152 N 0.05 0.89 -0.02 1.57 4.81 -0.97 -1.83 114.58 119.09 1kyx h GLU 152 Ca 0.01 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 1kyx h GLU 152 Cb -0.01 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1kyx h GLU 152 CO -0.00 0.62 -0.64 0.52 -0.73 0.00 0.00 179.01 178.77 1kyx h MET 153 N 0.91 0.07 -0.47 1.92 2.86 -0.94 -1.54 114.93 117.74 1kyx h MET 153 Ca 0.24 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.75 1kyx h MET 153 Cb -0.06 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1kyx h MET 153 CO -0.05 0.68 -0.04 0.78 1.06 0.00 0.00 176.91 179.34 1kyx h GLY 154 N 1.80 0.93 0.94 8.32 0.00 -0.52 -2.55 103.07 111.98 1kyx h GLY 154 Ca -0.01 -0.71 -0.10 0.00 0.00 0.00 0.00 47.33 46.51 1kyx h GLY 154 CO 0.09 0.65 -0.19 1.41 0.00 0.00 0.00 176.54 178.50 1kyx h LEU 155 N 0.70 0.70 0.00 3.11 3.38 -1.25 -2.82 115.31 119.13 1kyx h LEU 155 Ca 0.13 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1kyx h LEU 155 Cb 0.56 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1kyx h LEU 155 CO 0.03 0.98 0.00 0.29 0.09 0.00 0.00 178.44 179.83 1kyx n LYS 156 N -4.34 0.11 0.00 1.13 5.02 -0.59 0.72 118.16 120.20 1kyx n LYS 156 Ca -0.03 0.21 0.12 0.00 -2.02 0.00 0.00 58.31 56.58 1kyx n LYS 156 Cb 0.41 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 34.08 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 -1.39 3.34 -0.59 7.82 0.00 -0.97 -5.07 120.51 123.65 1kyx n ALA 157 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1kyx n ALA 157 Cb 0.13 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1kyx n ALA 157 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78