#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kz4 s LEU 13 N 0.00 3.17 -0.11 -2.12 1.43 -1.26 -5.10 118.68 114.69 1kz4 s LEU 13 Ca 0.00 -0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 1kz4 s LEU 13 Cb 0.00 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 1kz4 s LEU 13 CO 0.00 0.09 -0.01 -0.54 0.23 0.00 0.00 176.35 176.12 1kz4 s LYS 14 N 0.83 3.20 -0.39 1.70 -0.14 -1.26 -4.38 119.74 119.29 1kz4 s LYS 14 Ca -0.00 -0.44 0.10 0.00 -1.36 0.00 0.00 55.97 54.26 1kz4 s LYS 14 Cb -0.14 -2.84 0.30 0.00 -1.68 0.00 0.00 37.83 33.47 1kz4 s LYS 14 CO 0.02 0.56 0.67 0.41 -0.76 0.00 0.00 175.35 176.25 1kz4 n GLY 15 N 2.57 2.99 0.23 -3.33 0.00 0.65 -4.97 105.19 103.34 1kz4 n GLY 15 Ca -0.18 -1.47 0.16 0.00 0.00 0.00 0.00 46.02 44.53 1kz4 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kz4 h PRO 16 N 3.45 0.00 -0.45 1.61 0.13 -1.72 -2.63 132.00 132.38 1kz4 h PRO 16 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1kz4 h PRO 16 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1kz4 h PRO 16 CO 0.46 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.62 1kz4 n GLU 17 N -2.68 2.52 -2.70 0.86 1.02 -1.26 -4.39 120.64 114.01 1kz4 n GLU 17 Ca -0.01 -2.23 -0.37 0.00 -0.02 0.00 0.00 57.16 54.53 1kz4 n GLU 17 Cb 0.14 -1.42 -0.06 0.00 -0.02 0.00 0.00 31.44 30.08 1kz4 n GLU 17 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1kz4 s LEU 18 N -1.12 4.30 -0.24 -4.62 1.43 -0.99 -5.05 118.68 112.39 1kz4 s LEU 18 Ca 0.35 1.92 -0.00 0.00 -1.03 0.00 0.00 54.13 55.36 1kz4 s LEU 18 Cb 0.19 -4.03 0.04 0.00 0.03 0.00 0.00 46.19 42.41 1kz4 s LEU 18 CO 0.25 -0.18 -0.09 -0.13 0.23 0.00 0.00 176.35 176.43 1kz4 s ARG 19 N -2.12 2.68 -0.00 1.70 0.52 -1.26 -4.75 118.95 115.71 1kz4 s ARG 19 Ca 0.52 -1.07 0.02 0.00 -0.52 0.00 0.00 55.73 54.68 1kz4 s ARG 19 Cb -0.20 -2.91 -0.03 0.00 0.52 0.00 0.00 34.95 32.32 1kz4 s ARG 19 CO 0.26 -0.43 -0.03 0.42 0.02 0.00 0.00 175.30 175.54 1kz4 s ILE 20 N 1.26 3.91 -0.08 1.52 -1.09 -0.62 -0.74 121.20 125.36 1kz4 s ILE 20 Ca -0.02 -0.66 0.04 0.00 -2.23 0.00 0.00 60.65 57.78 1kz4 s ILE 20 Cb -0.17 -2.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.98 1kz4 s ILE 20 CO -0.06 0.40 -0.22 -0.22 -1.23 0.00 0.00 174.94 173.62 1kz4 s LEU 21 N -1.44 2.25 -0.11 2.97 2.96 -0.93 -0.94 118.68 123.43 1kz4 s LEU 21 Ca 0.18 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 1kz4 s LEU 21 Cb -0.11 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.15 1kz4 s LEU 21 CO 0.08 0.21 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.52 1kz4 s ILE 22 N 0.03 1.66 -0.12 6.68 1.01 0.83 -0.79 121.20 130.50 1kz4 s ILE 22 Ca -0.08 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1kz4 s ILE 22 Cb -0.15 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.84 1kz4 s ILE 22 CO 0.05 0.47 -0.16 -0.69 0.00 0.00 0.00 174.94 174.62 1kz4 s VAL 23 N 0.85 1.61 0.06 2.92 1.01 -0.67 -0.10 120.40 126.08 1kz4 s VAL 23 Ca -0.09 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1kz4 s VAL 23 Cb -0.15 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1kz4 s VAL 23 CO -0.00 0.46 -0.17 -1.38 0.00 0.00 0.00 175.10 174.01 1kz4 s HIS 24 N 1.08 1.49 0.71 5.22 -3.43 -0.26 -1.06 115.29 119.03 1kz4 s HIS 24 Ca -0.04 -0.39 -0.11 0.00 -0.80 0.00 0.00 55.06 53.72 1kz4 s HIS 24 Cb -0.14 -0.86 0.01 0.00 -1.43 0.00 0.00 32.58 30.16 1kz4 s HIS 24 CO -0.04 0.09 1.07 0.00 -2.00 0.00 0.00 174.74 173.86 1kz4 s ALA 25 N -0.96 2.72 -0.84 -1.38 0.00 -0.67 -1.78 121.76 118.85 1kz4 s ALA 25 Ca 0.03 -0.13 0.20 0.00 0.00 0.00 0.00 51.96 52.06 1kz4 s ALA 25 Cb -0.09 -3.10 -0.23 0.00 0.00 0.00 0.00 23.12 19.71 1kz4 s ALA 25 CO 0.02 -1.21 0.80 0.54 0.00 0.00 0.00 175.76 175.91 1kz4 n ARG 26 N -3.09 0.47 -2.07 0.00 1.74 -0.92 -4.83 116.66 107.95 1kz4 n ARG 26 Ca 0.07 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.71 1kz4 n ARG 26 Cb 0.55 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.52 1kz4 n ARG 26 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1kz4 s TRP 27 N -2.93 2.62 -0.42 -1.55 -0.00 -1.23 -3.80 118.94 111.64 1kz4 s TRP 27 Ca 0.06 0.56 -0.03 0.00 -0.00 0.00 0.00 56.10 56.69 1kz4 s TRP 27 Cb 0.15 -3.82 0.00 0.00 -0.00 0.00 0.00 33.47 29.81 1kz4 s TRP 27 CO 0.82 -3.17 0.43 -1.71 -0.00 0.00 0.00 176.95 173.32 1kz4 n ASN 28 N 5.54 -5.79 0.11 5.86 4.05 -1.26 -4.64 115.26 119.13 1kz4 n ASN 28 Ca 0.15 0.08 0.13 0.00 0.45 0.00 0.00 54.58 55.38 1kz4 n ASN 28 Cb 0.42 -3.81 0.41 0.00 1.23 0.00 0.00 39.78 38.03 1kz4 n ASN 28 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1kz4 n LEU 29 N -1.15 0.83 0.18 1.20 4.77 -1.25 -2.95 117.00 118.64 1kz4 n LEU 29 Ca 0.02 0.59 0.11 0.00 -0.03 0.00 0.00 56.01 56.70 1kz4 n LEU 29 Cb 0.44 -0.33 0.64 0.00 -2.33 0.00 0.00 43.42 41.83 1kz4 n LEU 29 CO 0.33 -0.22 1.10 1.56 -1.33 0.00 0.00 177.39 178.84 1kz4 h GLN 30 N 0.00 0.04 0.00 3.23 7.50 -1.94 -2.70 115.11 121.24 1kz4 h GLN 30 Ca 0.00 -0.00 -0.38 0.00 0.50 0.00 0.00 58.65 58.77 1kz4 h GLN 30 Cb 0.72 -0.01 -0.07 0.00 0.05 0.00 0.00 27.48 28.17 1kz4 h GLN 30 CO 0.00 0.02 -2.44 0.00 -1.50 0.00 0.00 178.83 174.92 1kz4 n ALA 31 N -2.56 1.46 0.13 3.87 0.00 -1.22 -4.53 120.51 117.66 1kz4 n ALA 31 Ca 0.00 -1.19 -0.14 0.00 0.00 0.00 0.00 53.44 52.12 1kz4 n ALA 31 Cb 0.21 -0.14 -0.08 0.00 0.00 0.00 0.00 19.45 19.44 1kz4 n ALA 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1kz4 h ILE 32 N 0.00 0.81 -0.22 0.00 1.08 -1.44 -3.06 117.51 114.68 1kz4 h ILE 32 Ca -0.57 -0.01 0.06 0.00 -0.39 0.00 0.00 64.86 63.95 1kz4 h ILE 32 Cb 2.03 0.82 -0.07 0.00 -3.07 0.00 0.00 36.82 36.53 1kz4 h ILE 32 CO -0.04 0.00 -0.36 -0.33 -0.69 0.00 0.00 178.15 176.73 1kz4 h GLU 33 N -0.27 -0.37 -0.98 2.37 5.08 -1.74 0.30 114.58 118.98 1kz4 h GLU 33 Ca -0.03 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 1kz4 h GLU 33 Cb 0.21 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.45 1kz4 h GLU 33 CO 0.04 -0.25 0.60 -1.35 -1.00 0.00 0.00 179.01 177.06 1kz4 h PRO 34 N -0.38 0.84 -0.21 2.33 0.11 -1.79 0.03 132.00 132.92 1kz4 h PRO 34 Ca 0.11 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 1kz4 h PRO 34 Cb 0.57 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1kz4 h PRO 34 CO -0.43 0.56 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.82 1kz4 h LEU 35 N 0.86 0.40 -0.59 2.35 3.38 -1.16 0.31 115.31 120.86 1kz4 h LEU 35 Ca 0.52 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1kz4 h LEU 35 Cb 0.66 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1kz4 h LEU 35 CO -0.32 0.65 0.12 0.58 0.09 0.00 0.00 178.44 179.56 1kz4 h VAL 36 N 0.14 1.25 -0.28 1.22 2.07 -0.37 -1.23 116.25 119.04 1kz4 h VAL 36 Ca 0.06 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1kz4 h VAL 36 Cb 0.46 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1kz4 h VAL 36 CO 0.02 0.35 0.10 0.50 0.02 0.00 0.00 177.57 178.56 1kz4 h LYS 37 N 0.87 0.43 -0.86 1.57 3.64 -0.96 -1.18 116.57 120.09 1kz4 h LYS 37 Ca 0.18 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1kz4 h LYS 37 Cb 0.39 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1kz4 h LYS 37 CO 0.01 0.47 0.43 0.78 -2.27 0.00 0.00 179.45 178.87 1kz4 h GLY 38 N 0.30 1.31 0.91 5.01 0.00 -0.79 -0.42 103.07 109.39 1kz4 h GLY 38 Ca 0.09 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1kz4 h GLY 38 CO -0.01 0.60 -0.13 0.00 0.00 0.00 0.00 176.54 177.00 1kz4 h ALA 39 N 1.26 -0.36 0.16 3.60 0.00 -0.93 -2.13 119.26 120.86 1kz4 h ALA 39 Ca 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1kz4 h ALA 39 Cb 0.09 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1kz4 h ALA 39 CO -0.04 -0.66 -0.08 0.28 0.00 0.00 0.00 179.25 178.75 1kz4 h VAL 40 N -0.46 0.85 -0.36 0.00 2.07 -1.02 -2.46 116.25 114.88 1kz4 h VAL 40 Ca -0.04 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1kz4 h VAL 40 Cb 0.35 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 1kz4 h VAL 40 CO 0.06 0.01 -0.01 -0.33 0.02 0.00 0.00 177.57 177.32 1kz4 h GLU 41 N -0.24 0.08 -0.95 1.57 5.08 -1.11 -1.52 114.58 117.50 1kz4 h GLU 41 Ca -0.02 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1kz4 h GLU 41 Cb 0.19 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 1kz4 h GLU 41 CO 0.04 0.06 0.61 1.15 -1.00 0.00 0.00 179.01 179.86 1kz4 h THR 42 N 0.09 1.11 -0.45 1.13 2.02 -1.30 0.31 112.91 115.82 1kz4 h THR 42 Ca 0.17 -0.39 -0.13 0.00 0.77 0.00 0.00 66.41 66.83 1kz4 h THR 42 Cb 0.24 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1kz4 h THR 42 CO -0.30 0.21 -0.23 0.24 0.37 0.00 0.00 175.52 175.81 1kz4 h MET 43 N 1.14 0.92 0.01 6.66 2.86 -0.93 -1.77 114.93 123.83 1kz4 h MET 43 Ca 0.40 -0.40 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1kz4 h MET 43 Cb 0.10 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1kz4 h MET 43 CO -0.15 1.05 -0.10 0.82 1.06 0.00 0.00 176.91 179.59 1kz4 h ILE 44 N 0.80 1.64 0.00 -1.22 2.04 -0.75 -1.91 117.51 118.11 1kz4 h ILE 44 Ca 0.10 -2.01 -0.14 0.00 1.00 0.00 0.00 64.86 63.81 1kz4 h ILE 44 Cb 0.79 2.98 -0.02 0.00 -0.74 0.00 0.00 36.82 39.83 1kz4 h ILE 44 CO 0.07 0.53 -0.69 -0.33 0.00 0.00 0.00 178.15 177.73 1kz4 h GLU 45 N -0.74 0.00 0.00 2.37 5.08 -0.50 -3.13 114.58 117.67 1kz4 h GLU 45 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1kz4 h GLU 45 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1kz4 h GLU 45 CO 0.02 0.69 -0.93 1.63 -1.00 0.00 0.00 179.01 179.42 1kz4 n LYS 46 N -3.45 2.14 0.00 2.33 5.02 -0.67 -4.70 118.16 118.83 1kz4 n LYS 46 Ca 0.00 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1kz4 n LYS 46 Cb 0.74 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 1kz4 n LYS 46 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1kz4 n HIS 47 N -1.52 0.00 -1.96 2.13 8.25 -0.92 -4.64 115.22 116.56 1kz4 n HIS 47 Ca -0.00 -0.38 -0.20 0.00 -0.26 0.00 0.00 57.72 56.87 1kz4 n HIS 47 Cb 0.19 -0.04 -0.05 0.00 1.12 0.00 0.00 29.99 31.21 1kz4 n HIS 47 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1kz4 n ASP 48 N -0.38 -5.53 -4.77 0.41 10.43 -1.08 -0.25 116.55 115.37 1kz4 n ASP 48 Ca 0.00 0.27 -0.38 0.00 2.57 0.00 0.00 54.79 57.25 1kz4 n ASP 48 Cb 0.28 -4.76 -0.04 0.00 1.84 0.00 0.00 41.12 38.45 1kz4 n ASP 48 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1kz4 s VAL 49 N -2.85 3.52 -0.04 2.53 1.01 -0.76 -3.55 120.40 120.25 1kz4 s VAL 49 Ca 0.00 1.31 -0.22 0.00 0.00 0.00 0.00 61.98 63.08 1kz4 s VAL 49 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1kz4 s VAL 49 CO 0.00 0.16 0.64 -0.54 0.00 0.00 0.00 175.10 175.36 1kz4 s LYS 50 N -2.06 4.39 0.31 2.72 1.02 -1.26 -4.31 119.74 120.54 1kz4 s LYS 50 Ca 0.53 0.80 0.07 0.00 0.02 0.00 0.00 55.97 57.39 1kz4 s LYS 50 Cb -0.27 -3.40 0.80 0.00 -0.52 0.00 0.00 37.83 34.43 1kz4 s LYS 50 CO 0.35 0.20 1.75 1.25 -0.92 0.00 0.00 175.35 177.98 1kz4 h LEU 51 N 6.26 0.72 -2.01 3.17 6.46 -1.95 0.38 115.31 128.34 1kz4 h LEU 51 Ca -0.43 0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.43 1kz4 h LEU 51 Cb 1.20 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1kz4 h LEU 51 CO 0.73 0.19 -0.10 -0.33 -0.62 0.00 0.00 178.44 178.31 1kz4 h GLU 52 N 0.67 0.00 -0.24 1.25 3.07 -2.00 -2.38 114.58 114.95 1kz4 h GLU 52 Ca 0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 1kz4 h GLU 52 Cb 1.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1kz4 h GLU 52 CO -0.43 0.10 0.00 0.09 -1.40 0.00 0.00 179.01 177.37 1kz4 n ASN 53 N -3.91 1.38 -4.25 1.42 3.02 0.13 -4.77 115.26 108.30 1kz4 n ASN 53 Ca -0.02 -1.93 -0.35 0.00 -0.03 0.00 0.00 54.58 52.25 1kz4 n ASN 53 Cb 0.19 -0.16 -0.14 0.00 -0.61 0.00 0.00 39.78 39.06 1kz4 n ASN 53 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1kz4 s ILE 54 N -1.68 3.10 -0.22 2.41 1.01 -0.90 -1.59 121.20 123.33 1kz4 s ILE 54 Ca 0.20 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.95 1kz4 s ILE 54 Cb 0.11 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 1kz4 s ILE 54 CO 0.15 0.29 0.14 -1.81 0.00 0.00 0.00 174.94 173.70 1kz4 s ASP 55 N 1.39 6.14 -0.19 3.58 -0.00 -0.12 -5.00 116.67 122.48 1kz4 s ASP 55 Ca 0.03 0.17 0.00 0.00 -0.00 0.00 0.00 52.55 52.75 1kz4 s ASP 55 Cb -0.16 -2.09 0.02 0.00 -0.00 0.00 0.00 42.92 40.69 1kz4 s ASP 55 CO -0.04 0.13 -0.18 -0.63 -0.00 0.00 0.00 175.17 174.46 1kz4 s ILE 56 N 0.66 2.24 0.24 0.77 1.01 -1.26 -0.12 121.20 124.74 1kz4 s ILE 56 Ca 0.08 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.88 1kz4 s ILE 56 Cb -0.12 -1.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 1kz4 s ILE 56 CO 0.01 0.51 -0.05 -1.61 0.00 0.00 0.00 174.94 173.79 1kz4 s GLU 57 N 1.31 1.40 0.12 2.79 2.02 0.86 -4.98 118.70 122.22 1kz4 s GLU 57 Ca 0.05 -1.69 0.00 0.00 0.02 0.00 0.00 54.97 53.35 1kz4 s GLU 57 Cb -0.13 -0.91 -0.04 0.00 0.10 0.00 0.00 34.13 33.14 1kz4 s GLU 57 CO -0.11 0.01 -0.00 -1.54 0.02 0.00 0.00 175.26 173.63 1kz4 s SER 58 N -3.35 0.79 0.13 -0.19 1.04 -1.26 -1.10 113.70 109.75 1kz4 s SER 58 Ca 0.27 -1.11 0.01 0.00 0.48 0.00 0.00 55.95 55.60 1kz4 s SER 58 Cb 0.04 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1kz4 s SER 58 CO 0.09 -0.60 -0.01 0.68 0.98 0.00 0.00 173.24 174.38 1kz4 s VAL 59 N -3.82 0.52 0.09 5.02 -7.23 -0.73 -4.90 120.40 109.36 1kz4 s VAL 59 Ca 0.18 -1.94 -0.35 0.00 -1.81 0.00 0.00 61.98 58.06 1kz4 s VAL 59 Cb 0.07 -1.92 -0.16 0.00 0.56 0.00 0.00 36.38 34.93 1kz4 s VAL 59 CO -0.02 -0.64 1.57 -0.65 -0.31 0.00 0.00 175.10 175.06 1kz4 h PRO 60 N 2.85 -0.87 0.00 4.82 0.11 -1.96 -2.44 132.00 134.51 1kz4 h PRO 60 Ca -0.36 0.06 -0.48 0.00 0.11 0.00 0.00 66.00 65.33 1kz4 h PRO 60 Cb 1.19 0.20 -0.13 0.00 0.11 0.00 0.00 31.00 32.37 1kz4 h PRO 60 CO 0.63 -0.58 -0.47 0.41 -0.21 0.00 0.00 178.00 177.78 1kz4 n GLY 61 N -1.53 2.93 0.29 -0.55 0.00 -1.26 -2.72 105.19 102.35 1kz4 n GLY 61 Ca -0.11 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 44.16 1kz4 n GLY 61 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kz4 h SER 62 N 2.01 0.00 0.67 1.61 0.02 -1.92 -1.93 113.55 114.01 1kz4 h SER 62 Ca -0.24 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.65 1kz4 h SER 62 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1kz4 h SER 62 CO 0.35 0.02 -0.27 0.22 -1.14 0.00 0.00 176.83 176.00 1kz4 h TYR 63 N 0.00 0.00 -0.01 3.45 5.03 -1.96 -2.63 116.97 120.85 1kz4 h TYR 63 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1kz4 h TYR 63 Cb 0.05 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.33 1kz4 h TYR 63 CO 0.00 0.27 -0.09 0.39 -1.32 0.00 0.00 178.16 177.42 1kz4 n GLU 64 N -3.60 1.31 0.01 1.82 4.71 -0.73 -4.29 120.64 119.87 1kz4 n GLU 64 Ca -0.01 -0.73 -0.10 0.00 -0.01 0.00 0.00 57.16 56.32 1kz4 n GLU 64 Cb 0.41 -1.48 -0.04 0.00 -1.01 0.00 0.00 31.44 29.31 1kz4 n GLU 64 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1kz4 h LEU 65 N 1.77 -0.33 -0.53 -4.62 4.07 -1.52 0.58 115.31 114.74 1kz4 h LEU 65 Ca 0.00 0.07 -0.07 0.00 0.08 0.00 0.00 57.88 57.96 1kz4 h LEU 65 Cb 0.47 0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 1kz4 h LEU 65 CO 0.00 -0.15 0.06 -0.65 -1.08 0.00 0.00 178.44 176.63 1kz4 h PRO 66 N -0.13 0.89 -0.71 1.13 0.11 -1.79 -1.24 132.00 130.26 1kz4 h PRO 66 Ca 0.07 -0.25 -0.06 0.00 0.11 0.00 0.00 66.00 65.87 1kz4 h PRO 66 Cb 0.24 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 1kz4 h PRO 66 CO -0.18 0.89 0.20 1.96 -0.21 0.00 0.00 178.00 180.65 1kz4 h GLN 67 N 0.78 1.12 -0.20 1.05 1.08 -1.72 -0.66 115.11 116.56 1kz4 h GLN 67 Ca 0.16 -0.26 -0.05 0.00 -1.45 0.00 0.00 58.65 57.05 1kz4 h GLN 67 Cb 0.44 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1kz4 h GLN 67 CO 0.02 0.98 -0.07 0.78 -0.95 0.00 0.00 178.83 179.58 1kz4 h GLY 68 N 1.06 0.44 1.04 3.46 0.00 0.30 -2.44 103.07 106.93 1kz4 h GLY 68 Ca 0.23 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1kz4 h GLY 68 CO -0.00 0.34 0.59 -2.22 0.00 0.00 0.00 176.54 175.26 1kz4 h ILE 69 N 0.11 1.25 -0.28 2.60 2.04 -1.11 -1.90 117.51 120.23 1kz4 h ILE 69 Ca 0.05 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 1kz4 h ILE 69 Cb 0.54 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1kz4 h ILE 69 CO 0.02 0.26 0.07 -0.09 0.00 0.00 0.00 178.15 178.41 1kz4 h ARG 70 N 1.30 0.44 -0.01 2.37 2.43 -1.06 -2.11 114.38 117.73 1kz4 h ARG 70 Ca 0.34 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1kz4 h ARG 70 Cb -0.09 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1kz4 h ARG 70 CO -0.07 0.52 -0.05 0.00 -1.51 0.00 0.00 179.97 178.86 1kz4 h ALA 71 N 0.90 -0.04 -0.81 2.80 0.00 -1.21 -3.07 119.26 117.83 1kz4 h ALA 71 Ca 0.09 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1kz4 h ALA 71 Cb 0.27 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1kz4 h ALA 71 CO 0.00 -0.54 0.35 0.77 0.00 0.00 0.00 179.25 179.82 1kz4 h SER 72 N -0.09 1.09 0.00 0.00 0.02 -1.29 -2.50 113.55 110.78 1kz4 h SER 72 Ca 0.03 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1kz4 h SER 72 Cb 0.13 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1kz4 h SER 72 CO -0.07 0.95 0.00 2.30 -1.14 0.00 0.00 176.83 178.87 1kz4 n ILE 73 N -4.30 0.00 -0.04 3.27 -5.35 -0.80 -1.92 119.36 110.22 1kz4 n ILE 73 Ca 0.07 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.53 1kz4 n ILE 73 Cb 0.17 -0.39 -0.14 0.00 -1.74 0.00 0.00 39.64 37.54 1kz4 n ILE 73 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kz4 n ALA 74 N -0.83 1.94 -0.05 -1.28 0.00 -0.95 -4.47 120.51 114.87 1kz4 n ALA 74 Ca 0.14 -0.89 -0.21 0.00 0.00 0.00 0.00 53.44 52.48 1kz4 n ALA 74 Cb 0.07 -0.57 -0.13 0.00 0.00 0.00 0.00 19.45 18.82 1kz4 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kz4 h ARG 75 N 0.00 0.13 -5.60 0.00 3.08 -1.35 -3.49 114.38 107.15 1kz4 h ARG 75 Ca -0.29 -0.22 -0.63 0.00 0.07 0.00 0.00 59.98 58.90 1kz4 h ARG 75 Cb 1.74 0.08 -0.13 0.00 0.08 0.00 0.00 29.97 31.75 1kz4 h ARG 75 CO 0.03 1.11 -0.59 -0.80 -1.07 0.00 0.00 179.97 178.64 1kz4 s ASN 76 N -6.92 3.85 -0.24 7.04 0.01 -0.81 -5.13 114.94 112.75 1kz4 s ASN 76 Ca -0.25 -1.40 -0.07 0.00 -0.71 0.00 0.00 52.86 50.44 1kz4 s ASN 76 Cb 0.05 -0.29 -0.03 0.00 0.41 0.00 0.00 41.25 41.39 1kz4 s ASN 76 CO 0.69 -0.50 0.05 -0.89 -1.51 0.00 0.00 177.10 174.94 1kz4 s THR 77 N -2.75 4.16 0.16 1.60 2.01 -1.26 -4.52 115.64 115.05 1kz4 s THR 77 Ca 0.32 -0.22 0.10 0.00 0.31 0.00 0.00 61.69 62.20 1kz4 s THR 77 Cb 0.09 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 1kz4 s THR 77 CO 0.16 0.36 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.92 1kz4 s TYR 78 N 1.51 2.08 -0.15 4.92 2.02 -1.26 -4.89 117.35 121.58 1kz4 s TYR 78 Ca 0.06 -0.40 0.19 0.00 -0.37 0.00 0.00 57.07 56.54 1kz4 s TYR 78 Cb -0.15 -1.06 -0.12 0.00 -0.40 0.00 0.00 41.96 40.24 1kz4 s TYR 78 CO 0.02 0.39 0.82 -0.25 -1.57 0.00 0.00 175.55 174.97 1kz4 n ASP 79 N 0.46 0.77 -3.47 2.29 9.92 0.08 -4.96 116.55 121.64 1kz4 n ASP 79 Ca -0.14 0.33 -0.13 0.00 -0.53 0.00 0.00 54.79 54.31 1kz4 n ASP 79 Cb 0.56 0.37 -0.03 0.00 -0.64 0.00 0.00 41.12 41.37 1kz4 n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kz4 s ALA 80 N -3.05 -1.56 0.04 2.24 0.00 -1.24 -4.28 121.76 113.92 1kz4 s ALA 80 Ca -0.03 0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.57 1kz4 s ALA 80 Cb 0.09 0.65 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1kz4 s ALA 80 CO 0.81 -0.66 -0.06 0.08 0.00 0.00 0.00 175.76 175.93 1kz4 s VAL 81 N -3.12 0.44 -0.12 0.00 1.01 -0.43 -2.19 120.40 115.99 1kz4 s VAL 81 Ca -0.02 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.85 1kz4 s VAL 81 Cb -0.01 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.78 1kz4 s VAL 81 CO -0.07 -0.46 -0.11 -0.63 0.00 0.00 0.00 175.10 173.83 1kz4 s ILE 82 N -1.60 1.26 -0.40 2.22 1.01 0.03 0.64 121.20 124.35 1kz4 s ILE 82 Ca -0.10 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 59.96 1kz4 s ILE 82 Cb -0.09 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 41.18 1kz4 s ILE 82 CO -0.01 0.40 0.29 -0.83 0.00 0.00 0.00 174.94 174.80 1kz4 s GLY 83 N 1.49 2.00 -0.12 6.18 0.00 -0.39 -1.67 107.32 114.80 1kz4 s GLY 83 Ca 0.02 -1.66 -0.02 0.00 0.00 0.00 0.00 44.72 43.06 1kz4 s GLY 83 CO -0.08 0.90 -0.05 -0.42 0.00 0.00 0.00 173.10 173.46 1kz4 s ILE 84 N 1.70 3.83 -0.09 0.90 1.01 -0.23 0.11 121.20 128.44 1kz4 s ILE 84 Ca 0.05 -0.40 -0.31 0.00 0.00 0.00 0.00 60.65 60.00 1kz4 s ILE 84 Cb -0.19 -2.64 0.12 0.00 0.01 0.00 0.00 42.46 39.76 1kz4 s ILE 84 CO 0.10 0.53 1.01 -0.83 0.00 0.00 0.00 174.94 175.75 1kz4 s GLY 85 N -0.06 -0.38 -0.11 6.18 0.00 -0.60 -1.67 107.32 110.69 1kz4 s GLY 85 Ca 0.01 1.35 0.01 0.00 0.00 0.00 0.00 44.72 46.09 1kz4 s GLY 85 CO 0.03 0.50 -0.12 0.14 0.00 0.00 0.00 173.10 173.65 1kz4 s VAL 86 N -2.62 1.27 -0.12 1.40 1.01 -1.26 -1.23 120.40 118.84 1kz4 s VAL 86 Ca 0.06 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1kz4 s VAL 86 Cb -0.01 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1kz4 s VAL 86 CO -0.06 0.40 -0.19 -0.76 0.00 0.00 0.00 175.10 174.49 1kz4 s LEU 87 N 1.26 2.38 -0.12 3.92 1.43 0.47 -4.94 118.68 123.07 1kz4 s LEU 87 Ca -0.02 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1kz4 s LEU 87 Cb -0.14 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.59 1kz4 s LEU 87 CO -0.04 0.15 -0.19 -0.63 0.23 0.00 0.00 176.35 175.87 1kz4 s ILE 88 N 0.41 1.80 -0.03 -0.59 1.01 -1.26 -0.90 121.20 121.64 1kz4 s ILE 88 Ca -0.14 -0.83 -0.38 0.00 0.00 0.00 0.00 60.65 59.31 1kz4 s ILE 88 Cb -0.17 -1.61 -0.16 0.00 0.01 0.00 0.00 42.46 40.53 1kz4 s ILE 88 CO 0.06 0.50 1.48 1.17 0.00 0.00 0.00 174.94 178.16 1kz4 n LYS 89 N 4.12 1.18 0.00 2.79 3.00 -0.61 -4.86 118.16 123.77 1kz4 n LYS 89 Ca -0.19 0.43 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 1kz4 n LYS 89 Cb 0.51 -2.09 0.00 0.00 0.00 0.00 0.00 35.03 33.46 1kz4 n LYS 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1kz4 n GLY 90 N 3.10 2.85 0.02 3.14 0.00 -1.26 -4.84 105.19 108.20 1kz4 n GLY 90 Ca 0.21 -1.76 0.11 0.00 0.00 0.00 0.00 46.02 44.57 1kz4 n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kz4 n SER 91 N 0.00 0.47 -1.74 1.61 7.64 -1.26 -4.97 113.62 115.37 1kz4 n SER 91 Ca 0.00 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1kz4 n SER 91 Cb 0.00 1.37 0.00 0.00 -1.01 0.00 0.00 64.21 64.57 1kz4 n SER 91 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1kz4 n THR 92 N -1.98 0.00 0.50 0.44 -2.24 -1.26 -5.02 114.28 104.72 1kz4 n THR 92 Ca -0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1kz4 n THR 92 Cb 0.47 -0.71 0.26 0.00 -2.10 0.00 0.00 70.33 68.24 1kz4 n THR 92 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1kz4 n MET 93 N -0.62 2.20 -0.11 -0.78 0.00 -1.26 -4.45 117.12 112.09 1kz4 n MET 93 Ca 0.00 -1.84 -0.05 0.00 0.00 0.00 0.00 57.70 55.81 1kz4 n MET 93 Cb 0.00 -1.44 0.01 0.00 0.00 0.00 0.00 33.22 31.80 1kz4 n MET 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1kz4 h HIS 94 N 3.26 -0.18 -0.08 2.03 -0.00 -1.97 -2.52 115.15 115.69 1kz4 h HIS 94 Ca 0.00 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.44 1kz4 h HIS 94 Cb 0.73 0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 28.23 1kz4 h HIS 94 CO 0.28 -0.15 -0.22 0.35 -0.00 0.00 0.00 177.93 178.19 1kz4 h PHE 95 N 0.01 -0.57 -0.21 5.26 3.57 -1.89 -1.74 116.94 121.37 1kz4 h PHE 95 Ca 0.19 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.77 1kz4 h PHE 95 Cb 0.28 0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.23 1kz4 h PHE 95 CO -0.33 -0.30 -0.16 0.93 -2.23 0.00 0.00 178.31 176.21 1kz4 h GLU 96 N -0.30 -0.16 -0.29 1.11 3.07 -1.81 -2.42 114.58 113.78 1kz4 h GLU 96 Ca 0.09 0.01 -0.18 0.00 -0.50 0.00 0.00 59.36 58.78 1kz4 h GLU 96 Cb 0.42 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1kz4 h GLU 96 CO -0.26 -0.11 -0.53 1.88 -1.40 0.00 0.00 179.01 178.59 1kz4 h TYR 97 N -0.17 1.06 0.00 4.33 0.05 -1.15 -3.14 116.97 117.95 1kz4 h TYR 97 Ca 0.12 -0.37 0.00 0.00 0.05 0.00 0.00 58.73 58.53 1kz4 h TYR 97 Cb 0.35 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.89 1kz4 h TYR 97 CO -0.31 1.19 -0.27 -0.84 -1.05 0.00 0.00 178.16 176.88 1kz4 h ILE 98 N 0.65 0.00 -0.20 -2.88 3.07 -1.37 -2.77 117.51 114.01 1kz4 h ILE 98 Ca 0.02 -0.99 -0.02 0.00 1.55 0.00 0.00 64.86 65.42 1kz4 h ILE 98 Cb 1.14 1.86 -0.01 0.00 -0.27 0.00 0.00 36.82 39.53 1kz4 h ILE 98 CO 0.12 0.00 0.05 0.28 -1.05 0.00 0.00 178.15 177.55 1kz4 h SER 99 N 0.00 0.30 -0.33 2.16 0.02 -1.48 -0.27 113.55 113.95 1kz4 h SER 99 Ca 0.00 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1kz4 h SER 99 Cb 1.00 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 1kz4 h SER 99 CO 0.00 0.44 0.14 -0.08 -1.14 0.00 0.00 176.83 176.20 1kz4 h GLU 100 N 0.14 0.48 -0.72 3.45 4.81 -1.57 -2.27 114.58 118.90 1kz4 h GLU 100 Ca 0.06 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1kz4 h GLU 100 Cb 0.26 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1kz4 h GLU 100 CO -0.00 0.47 0.46 0.00 -0.73 0.00 0.00 179.01 179.21 1kz4 h ALA 101 N 0.99 0.92 -0.20 2.92 0.00 -1.31 -1.64 119.26 120.94 1kz4 h ALA 101 Ca 0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1kz4 h ALA 101 Cb 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1kz4 h ALA 101 CO -0.01 0.36 -0.08 0.28 0.00 0.00 0.00 179.25 179.80 1kz4 h VAL 102 N 0.98 1.30 -0.70 0.00 2.07 -0.97 0.29 116.25 119.22 1kz4 h VAL 102 Ca 0.26 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1kz4 h VAL 102 Cb -0.08 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1kz4 h VAL 102 CO -0.05 0.34 0.41 0.58 0.02 0.00 0.00 177.57 178.86 1kz4 h VAL 103 N 0.12 1.21 -0.24 2.57 2.07 -1.26 -0.04 116.25 120.68 1kz4 h VAL 103 Ca 0.05 -0.49 -0.15 0.00 0.82 0.00 0.00 66.70 66.93 1kz4 h VAL 103 Cb 0.55 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1kz4 h VAL 103 CO 0.03 0.22 -0.45 -0.74 0.02 0.00 0.00 177.57 176.65 1kz4 h HIS 104 N 0.96 0.75 -0.38 1.57 6.17 -1.28 -2.96 115.15 119.97 1kz4 h HIS 104 Ca 0.25 -0.23 -0.13 0.00 0.71 0.00 0.00 60.37 60.97 1kz4 h HIS 104 Cb -0.00 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 29.77 1kz4 h HIS 104 CO -0.01 0.96 -0.26 0.78 0.71 0.00 0.00 177.93 180.11 1kz4 h GLY 105 N 1.01 0.92 1.01 5.26 0.00 -0.31 -2.05 103.07 108.92 1kz4 h GLY 105 Ca 0.03 -0.88 -0.09 0.00 0.00 0.00 0.00 47.33 46.39 1kz4 h GLY 105 CO 0.09 0.80 -0.07 1.41 0.00 0.00 0.00 176.54 178.76 1kz4 h LEU 106 N 0.65 0.85 -0.90 3.11 3.38 -1.09 -2.16 115.31 119.15 1kz4 h LEU 106 Ca 0.08 -0.34 0.15 0.00 0.09 0.00 0.00 57.88 57.85 1kz4 h LEU 106 Cb 0.83 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 1kz4 h LEU 106 CO 0.07 1.00 0.50 -0.03 0.09 0.00 0.00 178.44 180.07 1kz4 h MET 107 N 0.69 0.70 0.11 1.13 4.05 -1.46 -1.23 114.93 118.91 1kz4 h MET 107 Ca 0.12 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 1kz4 h MET 107 Cb 0.60 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.25 1kz4 h MET 107 CO 0.04 0.46 -0.05 -0.09 0.23 0.00 0.00 176.91 177.50 1kz4 h ARG 108 N 0.72 -0.14 -0.88 0.39 2.43 -0.98 -2.38 114.38 113.54 1kz4 h ARG 108 Ca 0.49 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.80 1kz4 h ARG 108 Cb 0.66 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.17 1kz4 h ARG 108 CO -0.34 0.23 0.57 0.28 -1.51 0.00 0.00 179.97 179.20 1kz4 h VAL 109 N -0.54 0.85 -0.26 0.20 2.07 -0.98 0.13 116.25 117.72 1kz4 h VAL 109 Ca -0.01 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1kz4 h VAL 109 Cb 0.44 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1kz4 h VAL 109 CO 0.02 0.13 0.03 1.23 0.02 0.00 0.00 177.57 179.00 1kz4 h GLY 110 N 0.70 0.47 1.82 2.17 0.00 -1.14 -1.85 103.07 105.24 1kz4 h GLY 110 Ca 0.44 -0.32 -0.16 0.00 0.00 0.00 0.00 47.33 47.29 1kz4 h GLY 110 CO -0.20 0.30 -0.69 1.41 0.00 0.00 0.00 176.54 177.36 1kz4 h LEU 111 N 0.23 0.21 -0.13 3.11 3.38 -0.77 -1.05 115.31 120.30 1kz4 h LEU 111 Ca 0.08 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 1kz4 h LEU 111 Cb 0.36 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.05 1kz4 h LEU 111 CO 0.01 0.84 -0.49 0.44 0.09 0.00 0.00 178.44 179.32 1kz4 h ASP 112 N 0.12 0.65 1.13 -0.43 3.32 -0.80 -3.31 116.42 117.10 1kz4 h ASP 112 Ca -0.02 -0.62 -0.16 0.00 0.02 0.00 0.00 57.03 56.26 1kz4 h ASP 112 Cb 1.23 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1kz4 h ASP 112 CO 0.10 1.16 -0.90 0.77 -1.72 0.00 0.00 179.24 178.65 1kz4 h SER 113 N 0.18 0.00 0.00 6.45 4.64 -1.39 -3.48 113.55 119.95 1kz4 h SER 113 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1kz4 h SER 113 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1kz4 h SER 113 CO 0.10 0.68 0.00 0.61 -0.87 0.00 0.00 176.83 177.36 1kz4 n GLY 114 N 1.32 0.76 3.75 -0.77 0.00 -0.41 -5.03 105.19 104.80 1kz4 n GLY 114 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1kz4 n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kz4 s VAL 115 N -2.78 5.40 0.44 1.61 1.01 -1.17 -5.03 120.40 119.88 1kz4 s VAL 115 Ca 0.00 0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.97 1kz4 s VAL 115 Cb 0.00 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 1kz4 s VAL 115 CO 0.00 0.45 1.43 -2.65 0.00 0.00 0.00 175.10 174.33 1kz4 n PRO 116 N 3.33 2.29 -3.80 2.72 -0.02 -1.26 -4.44 135.00 133.82 1kz4 n PRO 116 Ca -0.16 0.81 -0.29 0.00 -2.02 0.00 0.00 63.50 61.84 1kz4 n PRO 116 Cb 0.52 -2.61 -0.16 0.00 -0.02 0.00 0.00 33.50 31.23 1kz4 n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1kz4 s VAL 117 N -1.18 0.96 -0.00 -1.45 1.01 -1.26 -1.31 120.40 117.17 1kz4 s VAL 117 Ca 0.60 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1kz4 s VAL 117 Cb -0.46 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1kz4 s VAL 117 CO 0.59 -0.35 0.99 -0.63 0.00 0.00 0.00 175.10 175.69 1kz4 s ILE 118 N 1.62 4.84 -0.64 2.22 -1.09 0.21 -4.94 121.20 123.42 1kz4 s ILE 118 Ca 0.02 2.04 -0.27 0.00 -2.23 0.00 0.00 60.65 60.21 1kz4 s ILE 118 Cb -0.18 -4.31 0.03 0.00 -1.58 0.00 0.00 42.46 36.43 1kz4 s ILE 118 CO -0.13 0.15 1.18 -0.22 -1.23 0.00 0.00 174.94 174.69 1kz4 s LEU 119 N 1.06 3.47 -0.59 2.97 2.96 -1.26 -1.26 118.68 126.02 1kz4 s LEU 119 Ca 0.52 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 1kz4 s LEU 119 Cb -0.21 -2.87 0.43 0.00 0.50 0.00 0.00 46.19 44.04 1kz4 s LEU 119 CO 0.28 -1.58 1.78 0.61 -1.32 0.00 0.00 176.35 176.11 1kz4 n GLY 120 N 5.20 5.96 3.48 7.98 0.00 0.30 -4.94 105.19 123.16 1kz4 n GLY 120 Ca 0.05 -2.45 -0.37 0.00 0.00 0.00 0.00 46.02 43.25 1kz4 n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kz4 s LEU 121 N -3.80 3.66 -0.19 0.99 2.96 -1.22 -1.55 118.68 119.53 1kz4 s LEU 121 Ca 0.59 -0.21 -0.13 0.00 -0.22 0.00 0.00 54.13 54.15 1kz4 s LEU 121 Cb 0.47 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 1kz4 s LEU 121 CO -0.07 -0.06 0.28 -0.76 -1.32 0.00 0.00 176.35 174.42 1kz4 s LEU 122 N 1.65 4.19 -0.62 -0.68 1.43 -0.37 -4.97 118.68 119.31 1kz4 s LEU 122 Ca 0.06 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.60 1kz4 s LEU 122 Cb -0.16 -2.34 0.15 0.00 0.03 0.00 0.00 46.19 43.88 1kz4 s LEU 122 CO 0.06 0.05 0.40 0.42 0.23 0.00 0.00 176.35 177.50 1kz4 s THR 123 N 0.82 2.97 0.37 5.49 -4.23 -1.26 -0.40 115.64 119.41 1kz4 s THR 123 Ca 0.15 -3.62 0.07 0.00 -1.18 0.00 0.00 61.69 57.11 1kz4 s THR 123 Cb -0.13 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.70 1kz4 s THR 123 CO 0.05 -0.90 0.39 0.68 -0.54 0.00 0.00 174.62 174.30 1kz4 s VAL 124 N -0.72 3.27 -0.25 2.29 -7.23 -0.08 -5.00 120.40 112.69 1kz4 s VAL 124 Ca 0.20 -1.24 0.22 0.00 -1.81 0.00 0.00 61.98 59.35 1kz4 s VAL 124 Cb -0.17 -3.14 0.04 0.00 0.56 0.00 0.00 36.38 33.67 1kz4 s VAL 124 CO -0.07 -0.09 1.12 -0.07 -0.31 0.00 0.00 175.10 175.68 1kz4 h LEU 125 N 1.03 0.00 -8.01 1.32 3.38 -1.93 -1.62 115.31 109.48 1kz4 h LEU 125 Ca -0.43 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.60 1kz4 h LEU 125 Cb 1.26 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 1kz4 h LEU 125 CO 0.55 0.08 0.22 0.54 0.09 0.00 0.00 178.44 179.93 1kz4 s ASN 126 N -5.57 -0.23 0.14 -0.43 2.20 -1.26 -4.29 114.94 105.49 1kz4 s ASN 126 Ca 0.00 -0.67 -0.18 0.00 -0.94 0.00 0.00 52.86 51.08 1kz4 s ASN 126 Cb 0.09 0.74 -0.01 0.00 -2.00 0.00 0.00 41.25 40.06 1kz4 s ASN 126 CO 0.77 -1.37 1.75 -0.08 -2.94 0.00 0.00 177.10 175.23 1kz4 h GLU 127 N 2.01 0.20 -0.79 3.55 4.57 -1.97 -2.89 114.58 119.25 1kz4 h GLU 127 Ca -0.20 -0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.14 1kz4 h GLU 127 Cb 1.25 -0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 29.68 1kz4 h GLU 127 CO 0.25 0.13 0.27 0.93 -1.18 0.00 0.00 179.01 179.41 1kz4 h GLU 128 N 0.21 0.34 -0.43 1.92 3.07 -1.99 0.07 114.58 117.77 1kz4 h GLU 128 Ca 0.11 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.90 1kz4 h GLU 128 Cb 0.08 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1kz4 h GLU 128 CO -0.11 0.23 0.07 1.96 -1.40 0.00 0.00 179.01 179.75 1kz4 h GLN 129 N 0.35 0.65 0.03 2.33 4.20 -1.93 -1.60 115.11 119.15 1kz4 h GLN 129 Ca 0.46 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 59.04 1kz4 h GLN 129 Cb 0.80 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1kz4 h GLN 129 CO -0.49 0.62 -0.02 0.00 -0.67 0.00 0.00 178.83 178.27 1kz4 h ALA 130 N 1.45 -0.04 -0.69 3.87 0.00 -0.96 -2.83 119.26 120.06 1kz4 h ALA 130 Ca 0.14 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1kz4 h ALA 130 Cb 0.29 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1kz4 h ALA 130 CO 0.00 -0.35 0.45 -0.07 0.00 0.00 0.00 179.25 179.29 1kz4 h LEU 131 N -0.40 0.78 -1.17 0.00 3.38 -1.09 -2.33 115.31 114.48 1kz4 h LEU 131 Ca -0.00 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.04 1kz4 h LEU 131 Cb 0.37 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 1kz4 h LEU 131 CO 0.01 0.56 0.59 0.22 0.09 0.00 0.00 178.44 179.90 1kz4 h TYR 132 N 0.92 1.00 -0.02 1.13 3.20 -1.30 0.20 116.97 122.10 1kz4 h TYR 132 Ca 0.26 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1kz4 h TYR 132 Cb -0.09 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.85 1kz4 h TYR 132 CO -0.03 0.48 0.00 0.54 -1.64 0.00 0.00 178.16 177.51 1kz4 n ARG 133 N -4.52 1.27 -0.23 1.82 1.74 -0.91 -2.15 116.66 113.68 1kz4 n ARG 133 Ca 0.15 -0.40 0.11 0.00 -0.77 0.00 0.00 57.85 56.95 1kz4 n ARG 133 Cb 0.27 -1.46 0.23 0.00 -1.02 0.00 0.00 32.46 30.49 1kz4 n ARG 133 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kz4 n ALA 134 N -0.49 2.40 -0.64 7.54 0.00 0.65 -1.52 120.51 128.45 1kz4 n ALA 134 Ca 0.21 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1kz4 n ALA 134 Cb 0.20 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1kz4 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kz4 n GLY 135 N 1.48 0.78 3.92 0.00 0.00 -0.92 -4.44 105.19 106.01 1kz4 n GLY 135 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 1kz4 n GLY 135 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kz4 s LEU 136 N 0.00 3.16 -1.58 0.99 1.43 -0.86 -4.08 118.68 117.73 1kz4 s LEU 136 Ca 0.00 0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 53.66 1kz4 s LEU 136 Cb 0.00 -3.53 0.13 0.00 0.03 0.00 0.00 46.19 42.83 1kz4 s LEU 136 CO 0.00 -1.15 0.75 0.59 0.23 0.00 0.00 176.35 176.77 1kz4 n ASN 137 N -2.66 -3.57 0.00 2.29 3.02 -1.26 -1.36 115.26 111.72 1kz4 n ASN 137 Ca 0.05 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 1kz4 n ASN 137 Cb 0.58 -2.92 0.00 0.00 -0.61 0.00 0.00 39.78 36.83 1kz4 n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kz4 n GLY 138 N -1.36 0.94 3.94 7.41 0.00 -1.26 -5.00 105.19 109.86 1kz4 n GLY 138 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1kz4 n GLY 138 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kz4 s GLY 139 N -1.68 1.75 -0.19 -0.02 0.00 -0.47 -5.07 107.32 101.65 1kz4 s GLY 139 Ca 0.00 -1.19 -0.08 0.00 0.00 0.00 0.00 44.72 43.45 1kz4 s GLY 139 CO 0.00 -0.51 0.08 -1.58 0.00 0.00 0.00 173.10 171.09 1kz4 s HIS 140 N -3.70 3.31 -0.27 1.90 5.65 -1.17 -4.28 115.29 116.74 1kz4 s HIS 140 Ca 0.70 0.16 -0.29 0.00 0.25 0.00 0.00 55.06 55.89 1kz4 s HIS 140 Cb -0.05 -2.10 -0.01 0.00 -1.18 0.00 0.00 32.58 29.23 1kz4 s HIS 140 CO 0.51 0.21 1.50 1.21 -0.65 0.00 0.00 174.74 177.51 1kz4 s ASN 141 N 0.35 6.45 0.51 9.88 3.84 -1.26 -3.38 114.94 131.32 1kz4 s ASN 141 Ca 0.05 1.40 0.30 0.00 0.21 0.00 0.00 52.86 54.81 1kz4 s ASN 141 Cb -0.12 -2.53 1.01 0.00 -0.55 0.00 0.00 41.25 39.06 1kz4 s ASN 141 CO -0.01 -1.23 1.86 0.45 -2.79 0.00 0.00 177.10 175.37 1kz4 h HIS 142 N 10.34 0.00 -0.07 0.43 3.86 -1.58 -2.94 115.15 125.20 1kz4 h HIS 142 Ca -0.31 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 58.93 1kz4 h HIS 142 Cb 1.13 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.60 1kz4 h HIS 142 CO 0.91 0.03 0.07 0.78 0.86 0.00 0.00 177.93 180.58 1kz4 h GLY 143 N 2.64 0.00 0.66 2.45 0.00 -1.81 -0.67 103.07 106.34 1kz4 h GLY 143 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1kz4 h GLY 143 CO 0.00 0.00 -0.00 3.43 0.00 0.00 0.00 176.54 179.97 1kz4 h ASN 144 N 0.00 -0.01 -0.81 0.19 -0.26 -1.65 -1.07 115.58 111.97 1kz4 h ASN 144 Ca 0.03 -0.33 0.04 0.00 -0.56 0.00 0.00 56.30 55.48 1kz4 h ASN 144 Cb 0.18 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.40 1kz4 h ASN 144 CO -0.00 0.33 0.53 0.44 -1.06 0.00 0.00 177.43 177.67 1kz4 h ASP 145 N -0.35 0.85 0.03 5.81 3.32 -1.32 -1.76 116.42 123.01 1kz4 h ASP 145 Ca -0.00 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 1kz4 h ASP 145 Cb 0.34 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1kz4 h ASP 145 CO 0.00 0.58 -0.47 -0.50 -1.72 0.00 0.00 179.24 177.13 1kz4 h TRP 146 N 0.99 0.63 -0.04 4.55 6.55 -1.13 -1.48 115.95 126.02 1kz4 h TRP 146 Ca 0.33 -0.20 -0.00 0.00 0.95 0.00 0.00 58.89 59.96 1kz4 h TRP 146 Cb 0.06 -0.13 -0.00 0.00 -0.86 0.00 0.00 29.16 28.23 1kz4 h TRP 146 CO -0.00 0.89 0.02 0.78 -1.05 0.00 0.00 178.44 179.08 1kz4 h GLY 147 N 1.10 0.06 1.37 1.49 0.00 -0.37 -0.26 103.07 106.46 1kz4 h GLY 147 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1kz4 h GLY 147 CO 0.09 0.03 0.35 1.76 0.00 0.00 0.00 176.54 178.77 1kz4 h SER 148 N -0.09 0.74 -0.44 0.19 0.02 -1.30 -2.17 113.55 110.50 1kz4 h SER 148 Ca 0.01 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 1kz4 h SER 148 Cb 0.15 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1kz4 h SER 148 CO -0.00 0.58 -0.03 0.00 -1.14 0.00 0.00 176.83 176.24 1kz4 h ALA 149 N 1.54 0.59 -0.57 3.77 0.00 -0.87 -2.52 119.26 121.20 1kz4 h ALA 149 Ca 0.22 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1kz4 h ALA 149 Cb -0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1kz4 h ALA 149 CO -0.04 0.41 0.29 0.00 0.00 0.00 0.00 179.25 179.91 1kz4 h ALA 150 N 0.89 0.75 0.79 0.00 0.00 -0.46 -0.96 119.26 120.26 1kz4 h ALA 150 Ca 0.12 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1kz4 h ALA 150 Cb 0.53 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1kz4 h ALA 150 CO 0.03 -0.05 -0.38 0.28 0.00 0.00 0.00 179.25 179.13 1kz4 h VAL 151 N 0.55 0.22 -0.21 0.00 2.07 -1.25 -0.55 116.25 117.08 1kz4 h VAL 151 Ca 0.26 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.82 1kz4 h VAL 151 Cb 0.18 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 1kz4 h VAL 151 CO -0.18 0.00 -0.24 -0.08 0.02 0.00 0.00 177.57 177.09 1kz4 h GLU 152 N -1.07 -0.26 -0.54 1.57 4.81 -1.23 -0.28 114.58 117.58 1kz4 h GLU 152 Ca -0.11 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1kz4 h GLU 152 Cb 0.81 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 1kz4 h GLU 152 CO 0.18 -0.17 0.33 0.52 -0.73 0.00 0.00 179.01 179.14 1kz4 h MET 153 N -0.27 0.72 -0.38 1.92 2.86 -1.17 -0.26 114.93 118.35 1kz4 h MET 153 Ca 0.13 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1kz4 h MET 153 Cb 0.46 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1kz4 h MET 153 CO -0.36 0.50 0.17 0.78 1.06 0.00 0.00 176.91 179.07 1kz4 h GLY 154 N 0.77 0.60 0.64 8.32 0.00 0.47 -1.10 103.07 112.76 1kz4 h GLY 154 Ca 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1kz4 h GLY 154 CO -0.04 0.29 -0.05 1.41 0.00 0.00 0.00 176.54 178.15 1kz4 h LEU 155 N 0.47 0.17 -1.95 3.11 3.38 -0.68 -2.92 115.31 116.89 1kz4 h LEU 155 Ca 0.13 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.68 1kz4 h LEU 155 Cb 0.14 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1kz4 h LEU 155 CO -0.01 0.59 0.12 0.11 0.09 0.00 0.00 178.44 179.34 1kz4 h LYS 156 N -0.25 0.06 0.00 1.13 1.57 -1.01 1.48 116.57 119.55 1kz4 h LYS 156 Ca 0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1kz4 h LYS 156 Cb 0.53 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1kz4 h LYS 156 CO 0.01 0.04 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 1kz4 h ALA 157 N 1.91 1.00 0.00 3.86 0.00 -1.09 -3.51 119.26 121.43 1kz4 h ALA 157 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1kz4 h ALA 157 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1kz4 h ALA 157 CO -0.01 0.00 0.00 -0.11 0.00 0.00 0.00 179.25 179.13