#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 5.02 -0.11 0.64 1.43 -1.26 -5.06 118.68 119.33 1kz4 s LEU 13 Ca 0.00 -0.93 -0.03 0.00 -1.03 0.00 0.00 54.13 52.14 1kz4 s LEU 13 Cb 0.00 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1kz4 s LEU 13 CO 0.00 -0.44 0.02 -0.54 0.23 0.00 0.00 176.35 175.62 1kz4 s LYS 14 N 1.65 3.27 -0.40 1.70 -0.14 -1.26 -4.42 119.74 120.14 1kz4 s LYS 14 Ca 0.04 -0.39 0.08 0.00 -1.36 0.00 0.00 55.97 54.35 1kz4 s LYS 14 Cb -0.19 -2.91 0.26 0.00 -1.68 0.00 0.00 37.83 33.31 1kz4 s LYS 14 CO 0.09 0.58 0.58 0.41 -0.76 0.00 0.00 175.35 176.26 1kz4 n GLY 15 N 2.53 2.72 0.30 -3.33 0.00 0.13 -4.96 105.19 102.57 1kz4 n GLY 15 Ca -0.18 -1.44 0.19 0.00 0.00 0.00 0.00 46.02 44.59 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 3.85 0.00 -0.55 1.61 0.13 -1.72 -2.90 132.00 132.43 1kz4 h PRO 16 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1kz4 h PRO 16 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1kz4 h PRO 16 CO 0.45 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.62 1kz4 n GLU 17 N -3.11 2.61 -2.89 0.86 1.02 -1.26 -4.36 120.64 113.51 1kz4 n GLU 17 Ca -0.01 -2.42 -0.36 0.00 -0.02 0.00 0.00 57.16 54.35 1kz4 n GLU 17 Cb 0.23 -1.50 -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 -1.16 4.25 -0.28 -4.62 1.43 -1.09 -5.05 118.68 112.17 1kz4 s LEU 18 Ca 0.41 1.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.19 1kz4 s LEU 18 Cb 0.22 -4.00 0.05 0.00 0.03 0.00 0.00 46.19 42.49 1kz4 s LEU 18 CO 0.30 -0.10 -0.06 -0.13 0.23 0.00 0.00 176.35 176.59 1kz4 s ARG 19 N -2.29 2.41 -0.02 1.70 0.52 -1.26 -4.75 118.95 115.26 1kz4 s ARG 19 Ca 0.51 -1.26 -0.00 0.00 -0.52 0.00 0.00 55.73 54.46 1kz4 s ARG 19 Cb -0.16 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 1kz4 s ARG 19 CO 0.21 -0.57 0.05 0.42 0.02 0.00 0.00 175.30 175.43 1kz4 s ILE 20 N 1.20 4.51 -0.10 1.52 -1.09 -0.77 -0.01 121.20 126.46 1kz4 s ILE 20 Ca -0.06 -0.43 0.03 0.00 -2.23 0.00 0.00 60.65 57.96 1kz4 s ILE 20 Cb -0.19 -3.02 -0.01 0.00 -1.58 0.00 0.00 42.46 37.66 1kz4 s ILE 20 CO -0.03 0.40 -0.20 -0.22 -1.23 0.00 0.00 174.94 173.66 1kz4 s LEU 21 N -1.54 2.32 -0.16 2.97 2.96 -0.77 -1.05 118.68 123.41 1kz4 s LEU 21 Ca 0.20 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1kz4 s LEU 21 Cb -0.12 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.11 1kz4 s LEU 21 CO 0.11 0.18 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.49 1kz4 s ILE 22 N 0.26 2.20 -0.16 6.68 1.01 0.12 -0.65 121.20 130.65 1kz4 s ILE 22 Ca -0.14 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.61 1kz4 s ILE 22 Cb -0.17 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.42 1kz4 s ILE 22 CO 0.07 0.54 -0.19 -0.69 0.00 0.00 0.00 174.94 174.67 1kz4 s VAL 23 N 1.02 1.91 0.05 2.92 1.01 -0.69 0.62 120.40 127.24 1kz4 s VAL 23 Ca -0.02 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.16 1kz4 s VAL 23 Cb -0.14 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1kz4 s VAL 23 CO -0.06 0.52 -0.16 -1.38 0.00 0.00 0.00 175.10 174.02 1kz4 s HIS 24 N 1.22 1.37 0.65 5.22 -3.43 -0.05 -1.34 115.29 118.94 1kz4 s HIS 24 Ca 0.02 -0.38 -0.11 0.00 -0.80 0.00 0.00 55.06 53.79 1kz4 s HIS 24 Cb -0.14 -0.80 -0.02 0.00 -1.43 0.00 0.00 32.58 30.20 1kz4 s HIS 24 CO -0.10 0.07 1.04 0.00 -2.00 0.00 0.00 174.74 173.75 1kz4 s ALA 25 N -0.96 2.91 -2.14 -1.38 0.00 -0.95 -1.55 121.76 117.69 1kz4 s ALA 25 Ca 0.02 -0.01 0.22 0.00 0.00 0.00 0.00 51.96 52.19 1kz4 s ALA 25 Cb -0.09 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 19.94 1kz4 s ALA 25 CO 0.02 -0.93 1.09 0.54 0.00 0.00 0.00 175.76 176.48 1kz4 n ARG 26 N -2.92 1.47 -2.35 0.00 1.74 -0.66 -4.83 116.66 109.11 1kz4 n ARG 26 Ca 0.07 -1.15 -0.42 0.00 -0.77 0.00 0.00 57.85 55.57 1kz4 n ARG 26 Cb 0.54 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 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 -2.30 3.39 -0.55 -1.55 -0.00 -1.23 -4.00 118.94 112.71 1kz4 s TRP 27 Ca 0.19 1.25 -0.04 0.00 -0.00 0.00 0.00 56.10 57.50 1kz4 s TRP 27 Cb 0.18 -3.48 0.01 0.00 -0.00 0.00 0.00 33.47 30.17 1kz4 s TRP 27 CO 0.50 -1.52 0.57 -1.71 -0.00 0.00 0.00 176.95 174.79 1kz4 n ASN 28 N 3.53 -7.03 0.19 5.86 4.05 -1.26 -4.69 115.26 115.91 1kz4 n ASN 28 Ca 0.08 0.11 0.13 0.00 0.45 0.00 0.00 54.58 55.35 1kz4 n ASN 28 Cb 0.45 -4.73 0.33 0.00 1.23 0.00 0.00 39.78 37.06 1kz4 n ASN 28 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1kz4 h LEU 29 N 0.83 0.00 -2.29 1.20 3.38 -1.94 -3.00 115.31 113.49 1kz4 h LEU 29 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1kz4 h LEU 29 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1kz4 h LEU 29 CO 0.23 0.00 0.10 1.56 0.09 0.00 0.00 178.44 180.42 1kz4 h GLN 30 N 0.00 0.00 0.00 1.13 7.50 -1.95 -2.63 115.11 119.16 1kz4 h GLN 30 Ca 0.00 0.00 -0.30 0.00 0.50 0.00 0.00 58.65 58.85 1kz4 h GLN 30 Cb 0.81 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 28.29 1kz4 h GLN 30 CO 0.00 0.00 -2.12 0.00 -1.50 0.00 0.00 178.83 175.21 1kz4 n ALA 31 N -2.37 1.59 0.16 3.87 0.00 -1.21 -4.57 120.51 117.97 1kz4 n ALA 31 Ca -0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 53.44 52.36 1kz4 n ALA 31 Cb 0.21 -0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 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 0.68 -0.13 0.00 1.08 -1.37 -3.12 117.51 114.65 1kz4 h ILE 32 Ca -0.44 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.07 1kz4 h ILE 32 Cb 1.82 0.68 -0.07 0.00 -3.07 0.00 0.00 36.82 36.18 1kz4 h ILE 32 CO -0.03 0.00 -0.46 -0.33 -0.69 0.00 0.00 178.15 176.64 1kz4 h GLU 33 N -0.37 -0.51 -0.85 2.37 5.08 -1.74 -0.75 114.58 117.80 1kz4 h GLU 33 Ca -0.02 0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.56 1kz4 h GLU 33 Cb 0.32 0.12 -0.11 0.00 0.50 0.00 0.00 28.75 29.57 1kz4 h GLU 33 CO 0.02 -0.34 0.37 -1.35 -1.00 0.00 0.00 179.01 176.71 1kz4 h PRO 34 N -0.53 0.43 -0.00 2.33 0.11 -1.80 0.19 132.00 132.73 1kz4 h PRO 34 Ca 0.06 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 1kz4 h PRO 34 Cb 0.65 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.66 1kz4 h PRO 34 CO -0.41 0.29 0.00 -0.07 -0.21 0.00 0.00 178.00 177.60 1kz4 h LEU 35 N 0.45 0.00 -0.74 2.35 3.38 -1.31 0.18 115.31 119.62 1kz4 h LEU 35 Ca 0.50 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1kz4 h LEU 35 Cb 0.88 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1kz4 h LEU 35 CO -0.47 0.23 0.46 0.58 0.09 0.00 0.00 178.44 179.32 1kz4 h VAL 36 N -0.22 1.20 0.15 1.22 2.07 -0.38 -0.49 116.25 119.81 1kz4 h VAL 36 Ca 0.00 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1kz4 h VAL 36 Cb 0.22 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1kz4 h VAL 36 CO 0.00 0.21 -0.07 0.50 0.02 0.00 0.00 177.57 178.22 1kz4 h LYS 37 N 1.00 -0.20 -0.86 1.57 3.64 -0.52 -1.63 116.57 119.58 1kz4 h LYS 37 Ca 0.27 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.72 1kz4 h LYS 37 Cb -0.06 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 1kz4 h LYS 37 CO -0.05 -0.04 0.54 0.78 -2.27 0.00 0.00 179.45 178.41 1kz4 h GLY 38 N -0.32 1.29 0.97 5.01 0.00 -0.37 -0.24 103.07 109.39 1kz4 h GLY 38 Ca -0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1kz4 h GLY 38 CO 0.03 0.28 -0.28 0.00 0.00 0.00 0.00 176.54 176.57 1kz4 h ALA 39 N 1.40 -0.77 0.10 3.60 0.00 -0.88 -1.77 119.26 120.93 1kz4 h ALA 39 Ca 0.37 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1kz4 h ALA 39 Cb 0.15 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1kz4 h ALA 39 CO -0.16 -0.94 -0.18 0.28 0.00 0.00 0.00 179.25 178.25 1kz4 h VAL 40 N -0.77 0.59 -0.23 0.00 2.07 -0.98 -2.19 116.25 114.75 1kz4 h VAL 40 Ca -0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1kz4 h VAL 40 Cb 0.60 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1kz4 h VAL 40 CO 0.11 0.00 -0.13 -0.33 0.02 0.00 0.00 177.57 177.23 1kz4 h GLU 41 N -0.34 -0.11 -0.76 1.57 5.08 -1.04 -1.53 114.58 117.45 1kz4 h GLU 41 Ca 0.03 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1kz4 h GLU 41 Cb 0.36 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1kz4 h GLU 41 CO -0.10 -0.08 0.47 1.15 -1.00 0.00 0.00 179.01 179.45 1kz4 h THR 42 N -0.12 1.05 -0.67 1.13 2.02 -1.18 0.32 112.91 115.47 1kz4 h THR 42 Ca 0.13 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 1kz4 h THR 42 Cb 0.31 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1kz4 h THR 42 CO -0.30 0.16 0.18 0.24 0.37 0.00 0.00 175.52 176.17 1kz4 h MET 43 N 0.88 1.04 0.15 6.66 2.86 -0.91 -1.06 114.93 124.56 1kz4 h MET 43 Ca 0.32 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1kz4 h MET 43 Cb 0.11 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1kz4 h MET 43 CO -0.15 0.91 -0.07 0.82 1.06 0.00 0.00 176.91 179.48 1kz4 h ILE 44 N 1.00 0.44 0.00 -1.22 2.04 -0.62 -1.35 117.51 117.79 1kz4 h ILE 44 Ca 0.21 -1.08 -0.10 0.00 1.00 0.00 0.00 64.86 64.89 1kz4 h ILE 44 Cb 0.33 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1kz4 h ILE 44 CO -0.00 0.13 -0.47 -0.33 0.00 0.00 0.00 178.15 177.48 1kz4 h GLU 45 N -1.00 0.00 0.00 2.37 5.08 -0.46 -2.80 114.58 117.78 1kz4 h GLU 45 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1kz4 h GLU 45 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1kz4 h GLU 45 CO 0.03 0.47 -1.42 1.63 -1.00 0.00 0.00 179.01 178.73 1kz4 n LYS 46 N -3.92 0.75 0.00 2.33 5.02 -0.41 -4.68 118.16 117.25 1kz4 n LYS 46 Ca -0.01 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1kz4 n LYS 46 Cb 0.50 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 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 -1.83 0.00 -2.49 2.13 8.25 -0.99 -4.61 115.22 115.67 1kz4 n HIS 47 Ca -0.02 -0.34 -0.21 0.00 -0.26 0.00 0.00 57.72 56.89 1kz4 n HIS 47 Cb 0.30 -0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.34 -5.95 -4.78 0.41 10.43 -1.05 0.19 116.55 115.45 1kz4 n ASP 48 Ca 0.00 -0.06 -0.37 0.00 2.57 0.00 0.00 54.79 56.93 1kz4 n ASP 48 Cb 0.20 -4.92 -0.06 0.00 1.84 0.00 0.00 41.12 38.18 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 -3.06 4.05 -0.18 2.53 1.01 -0.55 -3.24 120.40 120.96 1kz4 s VAL 49 Ca 0.05 1.67 -0.20 0.00 0.00 0.00 0.00 61.98 63.50 1kz4 s VAL 49 Cb -0.02 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1kz4 s VAL 49 CO 0.06 0.11 0.58 -0.54 0.00 0.00 0.00 175.10 175.31 1kz4 s LYS 50 N -2.15 4.23 0.35 2.72 1.02 -1.26 -4.33 119.74 120.32 1kz4 s LYS 50 Ca 0.52 0.55 0.15 0.00 0.02 0.00 0.00 55.97 57.21 1kz4 s LYS 50 Cb -0.20 -3.55 1.14 0.00 -0.52 0.00 0.00 37.83 34.70 1kz4 s LYS 50 CO 0.26 -0.15 1.60 1.25 -0.92 0.00 0.00 175.35 177.39 1kz4 h LEU 51 N 7.88 0.21 -0.10 3.17 6.46 -1.96 1.36 115.31 132.34 1kz4 h LEU 51 Ca -0.34 0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1kz4 h LEU 51 Cb 1.15 0.27 0.00 0.00 -0.73 0.00 0.00 40.66 41.36 1kz4 h LEU 51 CO 0.76 -0.33 0.00 -1.84 -0.62 0.00 0.00 178.44 176.41 1kz4 n GLU 52 N -5.24 0.03 -0.43 1.25 0.00 -1.26 -2.32 120.64 112.67 1kz4 n GLU 52 Ca 0.33 0.26 0.11 0.00 0.00 0.00 0.00 57.16 57.86 1kz4 n GLU 52 Cb 1.09 -1.55 0.34 0.00 0.00 0.00 0.00 31.44 31.31 1kz4 n GLU 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1kz4 n ASN 53 N -1.61 4.16 -4.19 -1.84 3.02 0.46 -4.83 115.26 110.43 1kz4 n ASN 53 Ca 0.04 -2.09 -0.36 0.00 -0.03 0.00 0.00 54.58 52.14 1kz4 n ASN 53 Cb 0.19 -0.52 -0.13 0.00 -0.61 0.00 0.00 39.78 38.71 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 -1.17 3.16 -0.17 2.41 1.01 -0.98 -1.84 121.20 123.62 1kz4 s ILE 54 Ca 0.50 -1.41 -0.16 0.00 0.00 0.00 0.00 60.65 59.58 1kz4 s ILE 54 Cb 0.27 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1kz4 s ILE 54 CO 0.32 -0.18 0.40 -1.81 0.00 0.00 0.00 174.94 173.67 1kz4 s ASP 55 N 1.34 6.51 -0.21 3.58 -0.00 -0.22 -4.99 116.67 122.68 1kz4 s ASP 55 Ca -0.03 0.60 -0.01 0.00 -0.00 0.00 0.00 52.55 53.11 1kz4 s ASP 55 Cb -0.20 -2.24 0.02 0.00 -0.00 0.00 0.00 42.92 40.50 1kz4 s ASP 55 CO -0.01 -0.02 -0.13 -0.63 -0.00 0.00 0.00 175.17 174.39 1kz4 s ILE 56 N 0.93 2.54 0.33 0.77 1.01 -1.26 0.15 121.20 125.66 1kz4 s ILE 56 Ca 0.20 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 60.04 1kz4 s ILE 56 Cb -0.14 -2.16 -0.06 0.00 0.01 0.00 0.00 42.46 40.10 1kz4 s ILE 56 CO 0.08 0.42 -0.04 -1.61 0.00 0.00 0.00 174.94 173.79 1kz4 s GLU 57 N 1.33 1.70 0.05 2.79 2.02 0.20 -4.98 118.70 121.83 1kz4 s GLU 57 Ca 0.04 -1.90 -0.00 0.00 0.02 0.00 0.00 54.97 53.12 1kz4 s GLU 57 Cb -0.14 -1.33 -0.04 0.00 0.10 0.00 0.00 34.13 32.72 1kz4 s GLU 57 CO -0.09 0.01 -0.04 -1.54 0.02 0.00 0.00 175.26 173.63 1kz4 s SER 58 N -3.54 0.55 0.12 -0.19 1.04 -1.26 -0.87 113.70 109.55 1kz4 s SER 58 Ca 0.32 -0.92 0.03 0.00 0.48 0.00 0.00 55.95 55.86 1kz4 s SER 58 Cb 0.05 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1kz4 s SER 58 CO 0.15 -0.53 -0.08 0.68 0.98 0.00 0.00 173.24 174.44 1kz4 s VAL 59 N -3.49 0.87 0.08 5.02 -7.23 -0.60 -4.90 120.40 110.16 1kz4 s VAL 59 Ca 0.04 -1.98 -0.29 0.00 -1.81 0.00 0.00 61.98 57.94 1kz4 s VAL 59 Cb 0.05 -1.75 -0.13 0.00 0.56 0.00 0.00 36.38 35.11 1kz4 s VAL 59 CO -0.08 -0.82 1.46 -0.65 -0.31 0.00 0.00 175.10 174.70 1kz4 h PRO 60 N 2.89 -0.65 -4.90 4.82 0.11 -1.95 -1.76 132.00 130.55 1kz4 h PRO 60 Ca -0.36 0.04 -0.46 0.00 0.11 0.00 0.00 66.00 65.34 1kz4 h PRO 60 Cb 1.17 0.15 -0.13 0.00 0.11 0.00 0.00 31.00 32.30 1kz4 h PRO 60 CO 0.64 -0.43 -0.52 0.20 -0.21 0.00 0.00 178.00 177.68 1kz4 s GLY 61 N -1.99 2.26 0.55 -0.55 0.00 -1.26 -2.69 107.32 103.64 1kz4 s GLY 61 Ca -0.14 -1.77 0.23 0.00 0.00 0.00 0.00 44.72 43.05 1kz4 s GLY 61 CO 0.50 -1.58 2.15 1.76 0.00 0.00 0.00 173.10 175.93 1kz4 h SER 62 N 2.11 0.00 0.27 1.64 0.02 -1.91 -1.84 113.55 113.85 1kz4 h SER 62 Ca -0.30 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.60 1kz4 h SER 62 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1kz4 h SER 62 CO 0.46 0.00 -0.20 0.22 -1.14 0.00 0.00 176.83 176.17 1kz4 h TYR 63 N 0.00 0.00 -0.00 3.45 5.03 -1.96 -2.28 116.97 121.21 1kz4 h TYR 63 Ca 0.05 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1kz4 h TYR 63 Cb 0.24 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.52 1kz4 h TYR 63 CO 0.00 0.20 -0.27 0.39 -1.32 0.00 0.00 178.16 177.16 1kz4 n GLU 64 N -4.08 0.06 -0.06 1.82 4.71 -0.69 -4.28 120.64 118.12 1kz4 n GLU 64 Ca -0.02 -0.02 -0.12 0.00 -0.01 0.00 0.00 57.16 56.99 1kz4 n GLU 64 Cb 0.27 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.14 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 0.06 -1.41 -0.45 -4.62 4.07 -1.44 0.67 115.31 112.19 1kz4 h LEU 65 Ca 0.00 0.20 0.01 0.00 0.08 0.00 0.00 57.88 58.17 1kz4 h LEU 65 Cb 0.49 0.59 -0.02 0.00 1.08 0.00 0.00 40.66 42.80 1kz4 h LEU 65 CO 0.00 -0.40 0.29 -0.65 -1.08 0.00 0.00 178.44 176.59 1kz4 h PRO 66 N -0.42 0.57 -0.84 1.13 0.11 -1.78 -1.08 132.00 129.69 1kz4 h PRO 66 Ca 0.10 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.20 1kz4 h PRO 66 Cb 0.61 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.55 1kz4 h PRO 66 CO -0.49 0.38 0.54 1.96 -0.21 0.00 0.00 178.00 180.18 1kz4 h GLN 67 N 0.59 1.05 0.09 1.05 1.08 -1.58 -0.52 115.11 116.88 1kz4 h GLN 67 Ca 0.17 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1kz4 h GLN 67 Cb -0.05 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.14 1kz4 h GLN 67 CO -0.05 0.70 -0.04 0.78 -0.95 0.00 0.00 178.83 179.27 1kz4 h GLY 68 N 1.08 -0.12 0.57 3.46 0.00 0.62 -2.40 103.07 106.28 1kz4 h GLY 68 Ca 0.32 0.05 0.08 0.00 0.00 0.00 0.00 47.33 47.78 1kz4 h GLY 68 CO -0.09 -0.05 0.43 -2.22 0.00 0.00 0.00 176.54 174.61 1kz4 h ILE 69 N -0.43 0.92 -0.47 2.60 2.04 -1.02 -1.32 117.51 119.84 1kz4 h ILE 69 Ca -0.01 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1kz4 h ILE 69 Cb 0.36 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1kz4 h ILE 69 CO 0.02 0.14 0.30 -0.09 0.00 0.00 0.00 178.15 178.51 1kz4 h ARG 70 N 0.74 0.62 -0.49 2.37 2.43 -1.02 -1.27 114.38 117.76 1kz4 h ARG 70 Ca 0.36 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.46 1kz4 h ARG 70 Cb 0.30 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1kz4 h ARG 70 CO -0.23 0.43 0.20 0.00 -1.51 0.00 0.00 179.97 178.87 1kz4 h ALA 71 N 1.15 0.64 -0.33 2.80 0.00 -0.88 -3.09 119.26 119.55 1kz4 h ALA 71 Ca 0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1kz4 h ALA 71 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1kz4 h ALA 71 CO -0.03 0.24 0.06 0.77 0.00 0.00 0.00 179.25 180.28 1kz4 h SER 72 N 0.66 0.53 0.00 0.00 0.02 -0.95 -2.78 113.55 111.02 1kz4 h SER 72 Ca 0.17 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1kz4 h SER 72 Cb 0.18 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1kz4 h SER 72 CO -0.01 0.65 0.00 2.30 -1.14 0.00 0.00 176.83 178.62 1kz4 n ILE 73 N -4.60 0.00 -0.03 3.27 -5.35 -0.51 -2.04 119.36 110.10 1kz4 n ILE 73 Ca -0.02 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.42 1kz4 n ILE 73 Cb 0.22 -0.45 -0.13 0.00 -1.74 0.00 0.00 39.64 37.53 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 -0.84 1.77 0.00 -1.28 0.00 -1.06 -4.43 120.51 114.67 1kz4 n ALA 74 Ca 0.13 -0.88 -0.22 0.00 0.00 0.00 0.00 53.44 52.47 1kz4 n ALA 74 Cb 0.06 -0.62 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 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 0.24 -5.45 0.00 3.08 -1.34 -3.49 114.38 107.42 1kz4 h ARG 75 Ca -0.32 -0.41 -0.59 0.00 0.07 0.00 0.00 59.98 58.74 1kz4 h ARG 75 Cb 1.86 0.15 -0.13 0.00 0.08 0.00 0.00 29.97 31.93 1kz4 h ARG 75 CO 0.04 1.20 -0.59 -0.80 -1.07 0.00 0.00 179.97 178.75 1kz4 s ASN 76 N -7.05 3.42 -0.22 7.04 0.01 -0.88 -5.13 114.94 112.14 1kz4 s ASN 76 Ca -0.22 -1.42 -0.06 0.00 -0.71 0.00 0.00 52.86 50.45 1kz4 s ASN 76 Cb 0.06 -0.16 -0.03 0.00 0.41 0.00 0.00 41.25 41.53 1kz4 s ASN 76 CO 0.76 -0.56 0.03 -0.89 -1.51 0.00 0.00 177.10 174.92 1kz4 s THR 77 N -2.92 4.13 0.27 1.60 2.01 -1.26 -4.51 115.64 114.97 1kz4 s THR 77 Ca 0.32 -0.24 0.10 0.00 0.31 0.00 0.00 61.69 62.17 1kz4 s THR 77 Cb 0.08 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 1kz4 s THR 77 CO 0.15 0.39 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.01 1kz4 s TYR 78 N 1.24 2.14 -0.14 4.92 2.02 -1.26 -4.91 117.35 121.36 1kz4 s TYR 78 Ca 0.04 -0.45 0.17 0.00 -0.37 0.00 0.00 57.07 56.46 1kz4 s TYR 78 Cb -0.15 -1.02 -0.24 0.00 -0.40 0.00 0.00 41.96 40.15 1kz4 s TYR 78 CO 0.02 0.57 0.33 -0.25 -1.57 0.00 0.00 175.55 174.65 1kz4 n ASP 79 N -0.59 0.29 -3.62 2.29 9.92 0.98 -4.98 116.55 120.85 1kz4 n ASP 79 Ca -0.06 0.13 -0.14 0.00 -0.53 0.00 0.00 54.79 54.20 1kz4 n ASP 79 Cb 0.61 0.78 -0.06 0.00 -0.64 0.00 0.00 41.12 41.81 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 -2.68 -1.22 0.05 2.24 0.00 -1.22 -4.25 121.76 114.69 1kz4 s ALA 80 Ca -0.08 0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.51 1kz4 s ALA 80 Cb 0.08 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 1kz4 s ALA 80 CO 0.84 -0.44 -0.15 0.08 0.00 0.00 0.00 175.76 176.09 1kz4 s VAL 81 N -2.13 1.19 -0.10 0.00 1.01 -0.10 -1.85 120.40 118.41 1kz4 s VAL 81 Ca -0.07 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 60.77 1kz4 s VAL 81 Cb -0.01 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.29 1kz4 s VAL 81 CO 0.01 -0.07 -0.13 -0.63 0.00 0.00 0.00 175.10 174.28 1kz4 s ILE 82 N -1.01 1.35 -0.30 2.22 1.01 0.18 0.66 121.20 125.30 1kz4 s ILE 82 Ca 0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 1kz4 s ILE 82 Cb -0.09 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.13 1kz4 s ILE 82 CO 0.02 0.41 0.12 -0.83 0.00 0.00 0.00 174.94 174.66 1kz4 s GLY 83 N 1.08 1.83 -0.07 6.18 0.00 -0.59 -1.70 107.32 114.05 1kz4 s GLY 83 Ca -0.05 -1.42 0.01 0.00 0.00 0.00 0.00 44.72 43.25 1kz4 s GLY 83 CO -0.02 0.67 -0.07 -0.42 0.00 0.00 0.00 173.10 173.25 1kz4 s ILE 84 N 1.56 3.65 -0.11 0.90 1.01 -0.45 0.12 121.20 127.88 1kz4 s ILE 84 Ca 0.04 -0.50 -0.33 0.00 0.00 0.00 0.00 60.65 59.86 1kz4 s ILE 84 Cb -0.17 -2.49 0.12 0.00 0.01 0.00 0.00 42.46 39.93 1kz4 s ILE 84 CO 0.04 0.60 1.13 -0.83 0.00 0.00 0.00 174.94 175.88 1kz4 s GLY 85 N -0.78 -0.35 -0.05 6.18 0.00 -0.50 -2.24 107.32 109.58 1kz4 s GLY 85 Ca 0.12 1.28 0.02 0.00 0.00 0.00 0.00 44.72 46.14 1kz4 s GLY 85 CO 0.01 0.41 -0.08 0.14 0.00 0.00 0.00 173.10 173.58 1kz4 s VAL 86 N -2.63 0.80 -0.10 1.40 1.01 -1.26 -1.01 120.40 118.60 1kz4 s VAL 86 Ca 0.09 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1kz4 s VAL 86 Cb -0.00 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.63 1kz4 s VAL 86 CO -0.05 0.28 -0.14 -0.76 0.00 0.00 0.00 175.10 174.42 1kz4 s LEU 87 N 0.73 1.67 -0.10 3.92 1.43 0.18 -4.92 118.68 121.59 1kz4 s LEU 87 Ca -0.12 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 1kz4 s LEU 87 Cb -0.14 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1kz4 s LEU 87 CO 0.02 0.01 -0.23 -0.63 0.23 0.00 0.00 176.35 175.74 1kz4 s ILE 88 N 0.97 2.10 0.18 -0.59 1.01 -1.26 -0.47 121.20 123.14 1kz4 s ILE 88 Ca -0.07 -1.00 -0.33 0.00 0.00 0.00 0.00 60.65 59.25 1kz4 s ILE 88 Cb -0.15 -1.80 -0.15 0.00 0.01 0.00 0.00 42.46 40.37 1kz4 s ILE 88 CO -0.01 0.56 1.27 1.17 0.00 0.00 0.00 174.94 177.92 1kz4 n LYS 89 N 3.57 1.46 0.00 2.79 3.00 -0.32 -4.85 118.16 123.81 1kz4 n LYS 89 Ca -0.19 0.52 0.00 0.00 -0.00 0.00 0.00 58.31 58.64 1kz4 n LYS 89 Cb 0.53 -2.09 0.00 0.00 0.00 0.00 0.00 35.03 33.47 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 2.16 4.36 0.12 3.14 0.00 -1.26 -4.85 105.19 108.85 1kz4 n GLY 90 Ca 0.14 -1.85 0.08 0.00 0.00 0.00 0.00 46.02 44.39 1kz4 n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kz4 h SER 91 N 0.00 0.00 -3.14 1.61 0.02 -2.03 -3.48 113.55 106.54 1kz4 h SER 91 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1kz4 h SER 91 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1kz4 h SER 91 CO 0.00 0.18 0.00 0.35 -1.14 0.00 0.00 176.83 176.22 1kz4 n THR 92 N -2.82 0.00 0.99 -2.27 -2.24 -1.26 -5.02 114.28 101.66 1kz4 n THR 92 Ca -0.02 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 1kz4 n THR 92 Cb 0.63 -0.85 0.31 0.00 -2.10 0.00 0.00 70.33 68.33 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 -0.55 2.03 -0.15 -0.78 0.00 -1.26 -4.47 117.12 111.94 1kz4 n MET 93 Ca 0.00 -1.53 -0.06 0.00 0.00 0.00 0.00 57.70 56.11 1kz4 n MET 93 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 33.22 31.77 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 3.25 -0.82 -0.28 2.03 -0.00 -1.97 -2.40 115.15 114.97 1kz4 h HIS 94 Ca 0.00 0.06 0.07 0.00 -0.00 0.00 0.00 60.37 60.50 1kz4 h HIS 94 Cb 0.71 0.43 -0.08 0.00 -0.00 0.00 0.00 27.41 28.47 1kz4 h HIS 94 CO 0.11 -0.36 -0.28 0.35 -0.00 0.00 0.00 177.93 177.74 1kz4 h PHE 95 N -0.19 -0.77 -0.49 5.26 3.57 -1.89 -1.46 116.94 120.97 1kz4 h PHE 95 Ca 0.20 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.82 1kz4 h PHE 95 Cb 0.53 0.38 -0.06 0.00 2.79 0.00 0.00 35.95 39.58 1kz4 h PHE 95 CO -0.55 -0.35 0.13 0.93 -2.23 0.00 0.00 178.31 176.23 1kz4 h GLU 96 N -0.27 0.27 -0.02 1.11 3.07 -1.76 -1.96 114.58 115.02 1kz4 h GLU 96 Ca 0.14 -0.02 -0.23 0.00 -0.50 0.00 0.00 59.36 58.76 1kz4 h GLU 96 Cb 0.50 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1kz4 h GLU 96 CO -0.43 0.18 -0.93 1.88 -1.40 0.00 0.00 179.01 178.30 1kz4 h TYR 97 N 0.28 0.75 0.00 4.33 0.05 -1.05 -3.19 116.97 118.15 1kz4 h TYR 97 Ca 0.24 -0.40 -0.09 0.00 0.05 0.00 0.00 58.73 58.54 1kz4 h TYR 97 Cb 0.29 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 1kz4 h TYR 97 CO -0.20 1.21 -0.74 -0.84 -1.05 0.00 0.00 178.16 176.55 1kz4 h ILE 98 N 0.30 0.47 -0.11 -2.88 3.07 -1.27 -2.77 117.51 114.33 1kz4 h ILE 98 Ca -0.08 -1.74 0.02 0.00 1.55 0.00 0.00 64.86 64.60 1kz4 h ILE 98 Cb 1.57 2.09 -0.02 0.00 -0.27 0.00 0.00 36.82 40.19 1kz4 h ILE 98 CO 0.17 0.27 0.01 0.28 -1.05 0.00 0.00 178.15 177.83 1kz4 h SER 99 N 0.00 -0.02 -0.11 2.16 0.02 -1.43 0.13 113.55 114.29 1kz4 h SER 99 Ca -0.04 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1kz4 h SER 99 Cb 1.31 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 1kz4 h SER 99 CO 0.04 0.01 0.06 -0.08 -1.14 0.00 0.00 176.83 175.71 1kz4 h GLU 100 N 0.05 0.16 -0.57 3.45 4.81 -1.61 -1.96 114.58 118.91 1kz4 h GLU 100 Ca 0.05 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1kz4 h GLU 100 Cb 0.05 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 1kz4 h GLU 100 CO -0.08 0.20 0.31 0.00 -0.73 0.00 0.00 179.01 178.71 1kz4 h ALA 101 N 0.95 0.74 -0.33 2.92 0.00 -1.15 -1.19 119.26 121.20 1kz4 h ALA 101 Ca 0.04 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1kz4 h ALA 101 Cb 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1kz4 h ALA 101 CO -0.01 -0.02 -0.21 0.28 0.00 0.00 0.00 179.25 179.29 1kz4 h VAL 102 N 0.58 1.29 -0.61 0.00 2.07 -0.69 -0.06 116.25 118.84 1kz4 h VAL 102 Ca 0.25 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 1kz4 h VAL 102 Cb 0.14 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1kz4 h VAL 102 CO -0.16 0.44 0.20 0.58 0.02 0.00 0.00 177.57 178.65 1kz4 h VAL 103 N 0.50 1.23 -0.04 2.57 2.07 -1.04 -0.63 116.25 120.91 1kz4 h VAL 103 Ca 0.07 -0.76 -0.19 0.00 0.82 0.00 0.00 66.70 66.64 1kz4 h VAL 103 Cb 0.76 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1kz4 h VAL 103 CO 0.06 0.29 -0.79 -0.74 0.02 0.00 0.00 177.57 176.41 1kz4 h HIS 104 N 0.88 0.47 -0.20 1.57 6.17 -1.16 -3.06 115.15 119.81 1kz4 h HIS 104 Ca 0.20 -0.23 -0.08 0.00 0.71 0.00 0.00 60.37 60.98 1kz4 h HIS 104 Cb 0.23 -0.06 -0.00 0.00 2.52 0.00 0.00 27.41 30.09 1kz4 h HIS 104 CO 0.02 1.00 -0.17 0.78 0.71 0.00 0.00 177.93 180.26 1kz4 h GLY 105 N 1.44 0.52 0.98 5.26 0.00 -0.38 -1.91 103.07 108.98 1kz4 h GLY 105 Ca -0.04 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1kz4 h GLY 105 CO 0.13 0.47 0.21 1.41 0.00 0.00 0.00 176.54 178.76 1kz4 h LEU 106 N 0.16 0.42 -0.86 3.11 3.38 -1.22 -1.40 115.31 118.89 1kz4 h LEU 106 Ca 0.04 -0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.10 1kz4 h LEU 106 Cb 0.70 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.26 1kz4 h LEU 106 CO 0.04 0.34 0.46 -0.03 0.09 0.00 0.00 178.44 179.34 1kz4 h MET 107 N 0.46 0.66 -0.05 1.13 4.05 -1.50 -1.02 114.93 118.66 1kz4 h MET 107 Ca 0.13 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 1kz4 h MET 107 Cb -0.00 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 30.65 1kz4 h MET 107 CO -0.02 0.44 -0.01 -0.09 0.23 0.00 0.00 176.91 177.46 1kz4 h ARG 108 N 0.68 0.10 -0.96 0.39 2.43 -0.51 -2.34 114.38 114.17 1kz4 h ARG 108 Ca 0.46 -0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.73 1kz4 h ARG 108 Cb 0.60 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.05 1kz4 h ARG 108 CO -0.33 0.41 0.59 0.28 -1.51 0.00 0.00 179.97 179.40 1kz4 h VAL 109 N -0.22 0.85 -0.05 0.20 2.07 -0.73 0.25 116.25 118.62 1kz4 h VAL 109 Ca 0.01 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1kz4 h VAL 109 Cb 0.37 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1kz4 h VAL 109 CO 0.00 0.16 0.03 1.23 0.02 0.00 0.00 177.57 179.01 1kz4 h GLY 110 N 0.88 0.07 2.00 2.17 0.00 -1.05 -2.13 103.07 105.01 1kz4 h GLY 110 Ca 0.50 -0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.70 1kz4 h GLY 110 CO -0.30 0.03 -0.48 1.41 0.00 0.00 0.00 176.54 177.19 1kz4 h LEU 111 N 0.02 0.00 0.02 3.11 3.38 -0.69 -0.79 115.31 120.35 1kz4 h LEU 111 Ca 0.02 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.75 1kz4 h LEU 111 Cb 0.04 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.81 1kz4 h LEU 111 CO -0.00 0.48 -0.94 0.44 0.09 0.00 0.00 178.44 178.51 1kz4 h ASP 112 N 0.00 0.79 0.97 -0.43 3.32 -0.49 -3.34 116.42 117.24 1kz4 h ASP 112 Ca -0.00 -0.76 -0.16 0.00 0.02 0.00 0.00 57.03 56.12 1kz4 h ASP 112 Cb 0.95 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 1kz4 h ASP 112 CO 0.06 1.45 -1.10 0.77 -1.72 0.00 0.00 179.24 178.70 1kz4 h SER 113 N 0.21 0.00 0.00 6.45 4.64 -1.42 -3.48 113.55 119.96 1kz4 h SER 113 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1kz4 h SER 113 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1kz4 h SER 113 CO 0.18 0.63 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 1kz4 n GLY 114 N 1.35 0.68 3.61 -0.77 0.00 -0.32 -5.03 105.19 104.72 1kz4 n GLY 114 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.27 4.79 0.27 1.61 1.01 -1.14 -5.03 120.40 119.64 1kz4 s VAL 115 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1kz4 s VAL 115 Cb 0.00 -3.18 -0.13 0.00 0.00 0.00 0.00 36.38 33.07 1kz4 s VAL 115 CO 0.00 0.43 1.39 -2.65 0.00 0.00 0.00 175.10 174.27 1kz4 n PRO 116 N 3.80 2.12 -3.89 2.72 -0.02 -1.26 -4.40 135.00 134.07 1kz4 n PRO 116 Ca -0.16 0.75 -0.30 0.00 -2.02 0.00 0.00 63.50 61.77 1kz4 n PRO 116 Cb 0.52 -2.40 -0.16 0.00 -0.02 0.00 0.00 33.50 31.45 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 -0.34 1.37 0.08 -1.45 1.01 -1.26 -0.93 120.40 118.88 1kz4 s VAL 117 Ca 0.64 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 1kz4 s VAL 117 Cb -0.61 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1kz4 s VAL 117 CO 0.53 -0.25 1.04 -0.63 0.00 0.00 0.00 175.10 175.79 1kz4 s ILE 118 N 1.44 4.40 -0.88 2.22 -1.09 0.21 -4.94 121.20 122.56 1kz4 s ILE 118 Ca -0.01 1.86 -0.24 0.00 -2.23 0.00 0.00 60.65 60.03 1kz4 s ILE 118 Cb -0.18 -4.19 0.06 0.00 -1.58 0.00 0.00 42.46 36.56 1kz4 s ILE 118 CO -0.09 0.22 1.30 -0.22 -1.23 0.00 0.00 174.94 174.92 1kz4 s LEU 119 N 0.45 3.71 -0.52 2.97 2.96 -1.26 -1.54 118.68 125.45 1kz4 s LEU 119 Ca 0.51 -1.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.25 1kz4 s LEU 119 Cb -0.25 -2.53 0.52 0.00 0.50 0.00 0.00 46.19 44.43 1kz4 s LEU 119 CO 0.30 -1.54 1.94 0.61 -1.32 0.00 0.00 176.35 176.35 1kz4 n GLY 120 N 6.07 4.97 3.65 7.98 0.00 0.33 -4.92 105.19 123.28 1kz4 n GLY 120 Ca 0.19 -1.57 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.29 4.10 -0.17 0.99 2.96 -1.20 -1.40 118.68 120.67 1kz4 s LEU 121 Ca 0.56 0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 54.49 1kz4 s LEU 121 Cb 0.46 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 1kz4 s LEU 121 CO 0.05 0.05 0.11 -0.76 -1.32 0.00 0.00 176.35 174.48 1kz4 s LEU 122 N 1.14 4.14 -0.63 -0.68 1.43 -0.18 -4.95 118.68 118.95 1kz4 s LEU 122 Ca 0.07 0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.48 1kz4 s LEU 122 Cb -0.14 -2.04 0.15 0.00 0.03 0.00 0.00 46.19 44.19 1kz4 s LEU 122 CO 0.05 0.25 0.40 0.42 0.23 0.00 0.00 176.35 177.70 1kz4 s THR 123 N -0.06 2.69 0.36 5.49 -4.23 -1.26 -0.65 115.64 117.98 1kz4 s THR 123 Ca 0.09 -3.87 0.07 0.00 -1.18 0.00 0.00 61.69 56.80 1kz4 s THR 123 Cb -0.12 -2.80 -0.01 0.00 1.34 0.00 0.00 72.50 70.92 1kz4 s THR 123 CO 0.00 -0.94 0.49 0.68 -0.54 0.00 0.00 174.62 174.31 1kz4 s VAL 124 N -0.98 3.76 -0.17 2.29 -7.23 0.38 -4.98 120.40 113.47 1kz4 s VAL 124 Ca 0.22 -1.02 0.18 0.00 -1.81 0.00 0.00 61.98 59.55 1kz4 s VAL 124 Cb -0.12 -3.29 -0.03 0.00 0.56 0.00 0.00 36.38 33.49 1kz4 s VAL 124 CO -0.11 -0.12 1.06 -0.07 -0.31 0.00 0.00 175.10 175.56 1kz4 h LEU 125 N 0.85 0.00 -7.89 1.32 3.38 -1.93 -0.83 115.31 110.20 1kz4 h LEU 125 Ca -0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1kz4 h LEU 125 Cb 1.26 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.93 1kz4 h LEU 125 CO 0.51 0.40 0.05 0.54 0.09 0.00 0.00 178.44 180.03 1kz4 s ASN 126 N -5.87 -0.22 0.19 -0.43 2.20 -1.26 -4.17 114.94 105.38 1kz4 s ASN 126 Ca -0.00 -0.62 -0.12 0.00 -0.94 0.00 0.00 52.86 51.17 1kz4 s ASN 126 Cb 0.08 0.62 0.19 0.00 -2.00 0.00 0.00 41.25 40.14 1kz4 s ASN 126 CO 0.78 -1.15 1.74 -0.08 -2.94 0.00 0.00 177.10 175.45 1kz4 h GLU 127 N 2.16 0.33 -0.65 3.55 4.57 -1.97 -2.65 114.58 119.92 1kz4 h GLU 127 Ca -0.26 -0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.03 1kz4 h GLU 127 Cb 1.26 -0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 29.68 1kz4 h GLU 127 CO 0.33 0.22 0.15 0.93 -1.18 0.00 0.00 179.01 179.47 1kz4 h GLU 128 N 0.34 0.27 -0.47 1.92 3.07 -1.99 -1.01 114.58 116.71 1kz4 h GLU 128 Ca 0.25 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1kz4 h GLU 128 Cb 0.28 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 1kz4 h GLU 128 CO -0.26 0.18 0.30 1.96 -1.40 0.00 0.00 179.01 179.79 1kz4 h GLN 129 N 0.28 0.62 -0.03 2.33 4.20 -1.89 -0.49 115.11 120.13 1kz4 h GLN 129 Ca 0.35 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 1kz4 h GLN 129 Cb 0.53 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1kz4 h GLN 129 CO -0.43 0.42 -0.09 0.00 -0.67 0.00 0.00 178.83 178.07 1kz4 h ALA 130 N 1.69 0.06 -0.62 3.87 0.00 -1.19 -2.88 119.26 120.19 1kz4 h ALA 130 Ca 0.17 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1kz4 h ALA 130 Cb -0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1kz4 h ALA 130 CO -0.04 -0.08 0.40 -0.07 0.00 0.00 0.00 179.25 179.46 1kz4 h LEU 131 N -0.43 0.67 -0.81 0.00 3.38 -0.97 -2.02 115.31 115.13 1kz4 h LEU 131 Ca -0.00 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1kz4 h LEU 131 Cb 0.69 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 1kz4 h LEU 131 CO 0.02 0.48 0.47 0.22 0.09 0.00 0.00 178.44 179.72 1kz4 h TYR 132 N 0.80 0.86 -0.01 1.13 3.20 -1.14 0.12 116.97 121.94 1kz4 h TYR 132 Ca 0.24 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1kz4 h TYR 132 Cb -0.05 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 37.96 1kz4 h TYR 132 CO -0.04 0.38 0.00 0.54 -1.64 0.00 0.00 178.16 177.40 1kz4 n ARG 133 N -4.72 1.06 -0.26 1.82 1.74 -0.84 -1.99 116.66 113.47 1kz4 n ARG 133 Ca 0.13 -0.08 0.10 0.00 -0.77 0.00 0.00 57.85 57.23 1kz4 n ARG 133 Cb 0.24 -1.42 0.25 0.00 -1.02 0.00 0.00 32.46 30.50 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 -0.83 2.36 -0.34 7.54 0.00 0.33 -1.93 120.51 127.64 1kz4 n ALA 134 Ca 0.20 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1kz4 n ALA 134 Cb 0.11 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 1.36 0.94 3.87 0.00 0.00 -0.84 -4.49 105.19 106.03 1kz4 n GLY 135 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 3.63 -1.43 0.99 1.43 -0.74 -3.90 118.68 118.65 1kz4 s LEU 136 Ca 0.00 1.31 -0.07 0.00 -1.03 0.00 0.00 54.13 54.34 1kz4 s LEU 136 Cb 0.00 -4.25 0.05 0.00 0.03 0.00 0.00 46.19 42.01 1kz4 s LEU 136 CO 0.00 -0.57 0.84 0.59 0.23 0.00 0.00 176.35 177.44 1kz4 n ASN 137 N -1.77 -3.08 0.00 2.29 3.02 -1.26 -2.11 115.26 112.35 1kz4 n ASN 137 Ca 0.04 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1kz4 n ASN 137 Cb 0.54 -3.93 0.00 0.00 -0.61 0.00 0.00 39.78 35.79 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 -1.66 1.15 3.94 7.41 0.00 -1.26 -4.98 105.19 109.79 1kz4 n GLY 138 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.91 1.79 -0.14 -0.02 0.00 -0.89 -5.06 107.32 101.08 1kz4 s GLY 139 Ca 0.00 -1.34 -0.05 0.00 0.00 0.00 0.00 44.72 43.33 1kz4 s GLY 139 CO 0.00 -0.58 0.02 -1.58 0.00 0.00 0.00 173.10 170.96 1kz4 s HIS 140 N -3.80 3.18 -0.36 1.90 5.65 -1.18 -4.33 115.29 116.36 1kz4 s HIS 140 Ca 0.74 0.04 -0.29 0.00 0.25 0.00 0.00 55.06 55.80 1kz4 s HIS 140 Cb -0.03 -1.95 0.01 0.00 -1.18 0.00 0.00 32.58 29.43 1kz4 s HIS 140 CO 0.52 0.24 1.35 1.21 -0.65 0.00 0.00 174.74 177.41 1kz4 s ASN 141 N -0.12 6.52 0.42 9.88 3.84 -1.26 -3.27 114.94 130.95 1kz4 s ASN 141 Ca 0.05 1.01 0.21 0.00 0.21 0.00 0.00 52.86 54.34 1kz4 s ASN 141 Cb -0.12 -2.54 0.90 0.00 -0.55 0.00 0.00 41.25 38.93 1kz4 s ASN 141 CO 0.02 -1.25 1.83 0.45 -2.79 0.00 0.00 177.10 175.36 1kz4 h HIS 142 N 9.94 0.00 -0.85 0.43 3.86 -1.70 -2.84 115.15 123.99 1kz4 h HIS 142 Ca -0.27 0.00 0.25 0.00 -1.16 0.00 0.00 60.37 59.19 1kz4 h HIS 142 Cb 1.10 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.54 1kz4 h HIS 142 CO 0.93 0.29 0.61 0.78 0.86 0.00 0.00 177.93 181.40 1kz4 h GLY 143 N 1.72 0.01 0.74 2.45 0.00 -1.81 0.19 103.07 106.38 1kz4 h GLY 143 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1kz4 h GLY 143 CO 0.04 -0.00 -0.01 3.43 0.00 0.00 0.00 176.54 180.00 1kz4 h ASN 144 N 0.00 -0.03 -0.93 0.19 -0.26 -1.66 -1.85 115.58 111.05 1kz4 h ASN 144 Ca 0.41 -0.25 0.02 0.00 -0.56 0.00 0.00 56.30 55.91 1kz4 h ASN 144 Cb 1.62 0.01 -0.05 0.00 -1.06 0.00 0.00 38.32 38.84 1kz4 h ASN 144 CO -0.01 0.23 0.61 0.44 -1.06 0.00 0.00 177.43 177.65 1kz4 h ASP 145 N -0.29 1.05 -0.32 5.81 3.32 -0.82 -1.97 116.42 123.19 1kz4 h ASP 145 Ca -0.00 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1kz4 h ASP 145 Cb 0.28 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1kz4 h ASP 145 CO 0.01 0.75 -0.04 -0.50 -1.72 0.00 0.00 179.24 177.73 1kz4 h TRP 146 N 1.23 0.75 -0.12 4.55 6.55 -1.12 -0.54 115.95 127.26 1kz4 h TRP 146 Ca 0.35 -0.11 -0.01 0.00 0.95 0.00 0.00 58.89 60.07 1kz4 h TRP 146 Cb -0.10 -0.21 -0.00 0.00 -0.86 0.00 0.00 29.16 27.99 1kz4 h TRP 146 CO -0.00 0.73 0.03 0.78 -1.05 0.00 0.00 178.44 178.93 1kz4 h GLY 147 N 0.95 0.21 0.99 1.49 0.00 -0.61 -0.02 103.07 106.08 1kz4 h GLY 147 Ca 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1kz4 h GLY 147 CO 0.02 0.12 0.29 1.76 0.00 0.00 0.00 176.54 178.73 1kz4 h SER 148 N -0.02 0.73 -0.15 0.19 0.02 -1.27 -2.12 113.55 110.94 1kz4 h SER 148 Ca 0.04 -0.12 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1kz4 h SER 148 Cb 0.26 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 1kz4 h SER 148 CO 0.00 0.64 -0.09 0.00 -1.14 0.00 0.00 176.83 176.24 1kz4 h ALA 149 N 1.12 0.03 -0.61 3.77 0.00 -0.91 -1.04 119.26 121.63 1kz4 h ALA 149 Ca 0.20 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.28 1kz4 h ALA 149 Cb 0.09 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 1kz4 h ALA 149 CO -0.03 -0.54 0.16 0.00 0.00 0.00 0.00 179.25 178.85 1kz4 h ALA 150 N 1.04 0.74 0.16 0.00 0.00 -0.69 -0.86 119.26 119.64 1kz4 h ALA 150 Ca 0.09 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1kz4 h ALA 150 Cb 0.22 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1kz4 h ALA 150 CO -0.21 -0.28 -0.08 0.28 0.00 0.00 0.00 179.25 178.97 1kz4 h VAL 151 N 0.30 0.85 -0.19 0.00 2.07 -0.73 0.06 116.25 118.60 1kz4 h VAL 151 Ca 0.32 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.84 1kz4 h VAL 151 Cb 0.45 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1kz4 h VAL 151 CO -0.38 0.01 -0.08 -0.08 0.02 0.00 0.00 177.57 177.06 1kz4 h GLU 152 N -0.24 -0.05 -0.47 1.57 4.81 -0.59 -1.46 114.58 118.15 1kz4 h GLU 152 Ca -0.02 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1kz4 h GLU 152 Cb 0.18 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1kz4 h GLU 152 CO 0.04 -0.04 0.04 0.52 -0.73 0.00 0.00 179.01 178.84 1kz4 h MET 153 N -0.05 0.74 -0.47 1.92 2.86 -1.11 -0.89 114.93 117.93 1kz4 h MET 153 Ca 0.10 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1kz4 h MET 153 Cb 0.21 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1kz4 h MET 153 CO -0.23 0.73 0.31 0.78 1.06 0.00 0.00 176.91 179.55 1kz4 h GLY 154 N 0.94 0.66 0.59 8.32 0.00 -0.34 -0.60 103.07 112.63 1kz4 h GLY 154 Ca 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1kz4 h GLY 154 CO 0.01 0.24 -0.08 1.41 0.00 0.00 0.00 176.54 178.11 1kz4 h LEU 155 N 0.63 -0.19 -2.05 3.11 3.38 -1.01 -2.72 115.31 116.47 1kz4 h LEU 155 Ca 0.17 -0.29 0.11 0.00 0.09 0.00 0.00 57.88 57.96 1kz4 h LEU 155 Cb -0.07 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1kz4 h LEU 155 CO -0.04 0.22 0.29 0.11 0.09 0.00 0.00 178.44 179.11 1kz4 h LYS 156 N -0.64 0.00 0.00 1.13 1.57 -1.08 1.43 116.57 118.97 1kz4 h LYS 156 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1kz4 h LYS 156 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1kz4 h LYS 156 CO 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.92 1kz4 h ALA 157 N 1.77 1.00 0.00 3.86 0.00 -0.97 -3.51 119.26 121.41 1kz4 h ALA 157 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1kz4 h ALA 157 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1kz4 h ALA 157 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53