#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zke h MET 1 N 0.00 0.40 -0.05 -0.41 -1.53 -2.01 -2.07 114.93 109.26 1zke h MET 1 Ca 0.00 -0.02 -0.13 0.00 -3.44 0.00 0.00 59.70 56.11 1zke h MET 1 Cb 0.00 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 30.95 1zke h MET 1 CO 0.00 0.26 -0.55 0.74 0.14 0.00 0.00 176.91 177.50 1zke h PHE 2 N 0.41 0.17 -0.35 1.39 -1.00 -2.03 -0.63 116.94 114.90 1zke h PHE 2 Ca 0.17 -0.06 -0.12 0.00 2.81 0.00 0.00 57.97 60.77 1zke h PHE 2 Cb 0.08 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 1zke h PHE 2 CO -0.10 0.66 -0.26 0.93 -1.61 0.00 0.00 178.31 177.93 1zke h GLU 3 N 0.11 0.72 -0.50 1.51 4.39 -1.94 0.44 114.58 119.31 1zke h GLU 3 Ca -0.00 -0.31 -0.06 0.00 0.34 0.00 0.00 59.36 59.33 1zke h GLU 3 Cb 1.01 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 1zke h GLU 3 CO 0.08 0.91 0.08 0.87 -1.16 0.00 0.00 179.01 179.79 1zke h LYS 4 N 0.63 0.83 -0.13 2.33 1.57 -0.90 -2.31 116.57 118.58 1zke h LYS 4 Ca 0.08 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1zke h LYS 4 Cb 0.77 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1zke h LYS 4 CO 0.06 0.82 0.06 0.82 -0.57 0.00 0.00 179.45 180.64 1zke h ILE 5 N 0.71 1.14 -0.94 1.86 2.04 -0.94 -2.38 117.51 119.00 1zke h ILE 5 Ca 0.15 -0.43 0.08 0.00 1.00 0.00 0.00 64.86 65.67 1zke h ILE 5 Cb 0.39 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 1zke h ILE 5 CO 0.01 0.13 0.59 0.03 0.00 0.00 0.00 178.15 178.91 1zke h ARG 6 N 0.07 0.99 -0.74 2.37 3.08 -0.85 0.06 114.38 119.36 1zke h ARG 6 Ca 0.04 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1zke h ARG 6 Cb 0.16 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1zke h ARG 6 CO -0.00 0.66 0.23 -0.22 -1.07 0.00 0.00 179.97 179.57 1zke h LYS 7 N 1.02 1.15 -0.59 0.04 1.63 -1.24 -1.82 116.57 116.76 1zke h LYS 7 Ca 0.43 -0.25 -0.09 0.00 -0.85 0.00 0.00 60.65 59.89 1zke h LYS 7 Cb 0.27 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 1zke h LYS 7 CO -0.20 0.98 0.01 0.82 -3.45 0.00 0.00 179.45 177.61 1zke h ILE 8 N 1.10 1.26 -0.87 2.00 2.04 -0.80 -1.73 117.51 120.51 1zke h ILE 8 Ca 0.24 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 65.00 1zke h ILE 8 Cb 0.30 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 1zke h ILE 8 CO -0.01 0.41 0.57 -0.07 0.00 0.00 0.00 178.15 179.04 1zke h LEU 9 N 0.93 0.96 -0.68 1.44 3.38 -0.68 0.92 115.31 121.58 1zke h LEU 9 Ca 0.17 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 1zke h LEU 9 Cb 0.53 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1zke h LEU 9 CO 0.03 0.68 0.00 0.00 0.09 0.00 0.00 178.44 179.24 1zke h ALA 10 N 1.34 0.89 -0.40 1.53 0.00 -1.11 -2.07 119.26 119.44 1zke h ALA 10 Ca 0.33 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1zke h ALA 10 Cb -0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1zke h ALA 10 CO -0.09 0.66 -0.07 -0.44 0.00 0.00 0.00 179.25 179.30 1zke h ASP 11 N 0.94 0.67 -0.36 0.00 3.32 -0.73 -2.16 116.42 118.10 1zke h ASP 11 Ca 0.17 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1zke h ASP 11 Cb 0.54 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1zke h ASP 11 CO 0.03 0.78 0.10 0.40 -1.72 0.00 0.00 179.24 178.83 1zke h ILE 12 N 0.64 1.22 -0.59 0.35 2.04 -0.58 -0.53 117.51 120.06 1zke h ILE 12 Ca 0.12 -0.72 0.06 0.00 1.00 0.00 0.00 64.86 65.32 1zke h ILE 12 Cb 0.50 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 1zke h ILE 12 CO 0.03 0.25 0.28 -0.08 0.00 0.00 0.00 178.15 178.63 1zke h GLU 13 N 0.43 0.52 -0.49 2.37 4.81 -1.18 0.39 114.58 121.43 1zke h GLU 13 Ca 0.11 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1zke h GLU 13 Cb 0.27 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1zke h GLU 13 CO -0.00 0.34 0.15 -0.44 -0.73 0.00 0.00 179.01 178.33 1zke h ASP 14 N 0.53 0.71 -0.47 1.04 3.32 -1.17 -1.47 116.42 118.92 1zke h ASP 14 Ca 0.27 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1zke h ASP 14 Cb 0.22 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1zke h ASP 14 CO -0.21 0.73 0.30 -1.28 -1.72 0.00 0.00 179.24 177.07 1zke h SER 15 N 0.65 0.54 -0.70 6.45 0.87 -0.61 -1.93 113.55 118.83 1zke h SER 15 Ca 0.16 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1zke h SER 15 Cb 0.28 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 1zke h SER 15 CO -0.00 0.41 0.43 1.56 -0.53 0.00 0.00 176.83 178.69 1zke h GLN 16 N 0.63 0.94 -0.72 2.24 4.20 -0.68 -0.68 115.11 121.05 1zke h GLN 16 Ca 0.17 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1zke h GLN 16 Cb -0.06 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.49 1zke h GLN 16 CO -0.04 0.66 0.44 -0.91 -0.67 0.00 0.00 178.83 178.32 1zke h ASN 17 N 0.95 0.85 -0.29 1.46 2.35 -0.91 0.09 115.58 120.08 1zke h ASN 17 Ca 0.25 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 1zke h ASN 17 Cb -0.05 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1zke h ASN 17 CO -0.05 0.65 -0.19 -0.33 -1.65 0.00 0.00 177.43 175.86 1zke h GLU 18 N 0.98 0.65 -0.72 0.81 5.08 -0.99 -2.41 114.58 117.97 1zke h GLU 18 Ca 0.26 -0.31 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1zke h GLU 18 Cb -0.05 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 1zke h GLU 18 CO -0.05 0.90 0.45 0.82 -1.00 0.00 0.00 179.01 180.13 1zke h ILE 19 N 0.39 1.09 -0.81 3.13 2.04 -0.88 -0.74 117.51 121.73 1zke h ILE 19 Ca 0.06 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.64 1zke h ILE 19 Cb 0.73 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1zke h ILE 19 CO 0.05 0.16 0.53 -0.33 0.00 0.00 0.00 178.15 178.56 1zke h GLU 20 N 0.87 1.02 -0.35 2.37 5.08 -0.78 0.51 114.58 123.30 1zke h GLU 20 Ca 0.29 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1zke h GLU 20 Cb 0.03 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1zke h GLU 20 CO -0.12 0.68 0.02 1.98 -1.00 0.00 0.00 179.01 180.57 1zke h MET 21 N 1.05 0.60 -0.85 2.33 4.05 -1.04 -1.66 114.93 119.42 1zke h MET 21 Ca 0.31 -0.18 -0.02 0.00 -0.28 0.00 0.00 59.70 59.53 1zke h MET 21 Cb -0.06 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.64 1zke h MET 21 CO -0.09 0.70 0.46 -0.07 0.23 0.00 0.00 176.91 178.15 1zke h LEU 22 N 0.42 1.06 -0.58 3.39 3.38 -0.74 -0.64 115.31 121.61 1zke h LEU 22 Ca 0.10 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1zke h LEU 22 Cb 0.42 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1zke h LEU 22 CO 0.01 0.85 0.35 -0.07 0.09 0.00 0.00 178.44 179.67 1zke h LEU 23 N 1.19 0.69 -0.46 1.67 3.38 -0.77 -0.57 115.31 120.44 1zke h LEU 23 Ca 0.30 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1zke h LEU 23 Cb 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1zke h LEU 23 CO -0.05 0.55 0.28 0.50 0.09 0.00 0.00 178.44 179.81 1zke h LYS 24 N 0.78 0.61 -0.80 1.13 3.64 -0.70 0.09 116.57 121.33 1zke h LYS 24 Ca 0.21 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1zke h LYS 24 Cb -0.02 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 1zke h LYS 24 CO -0.04 0.44 0.35 -0.07 -2.27 0.00 0.00 179.45 177.87 1zke h LEU 25 N 0.61 1.06 0.00 5.20 3.38 -0.88 -2.38 115.31 122.29 1zke h LEU 25 Ca 0.16 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1zke h LEU 25 Cb -0.02 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.46 1zke h LEU 25 CO -0.03 0.92 -0.10 0.00 0.09 0.00 0.00 178.44 179.32 1zke n ALA 26 N -2.43 2.56 -3.51 1.53 0.00 -0.24 -4.94 120.51 113.48 1zke n ALA 26 Ca 0.08 -0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.18 1zke n ALA 26 Cb 0.16 -1.40 0.08 0.00 0.00 0.00 0.00 19.45 18.29 1zke n ALA 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1zke n ASN 27 N -1.53 -3.16 -4.24 0.00 5.15 -0.08 -4.72 115.26 106.68 1zke n ASN 27 Ca 0.07 -0.62 -0.23 0.00 -0.60 0.00 0.00 54.58 53.19 1zke n ASN 27 Cb 0.34 -4.99 -0.13 0.00 -0.53 0.00 0.00 39.78 34.47 1zke n ASN 27 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1zke s LEU 28 N -6.65 2.23 0.69 1.20 1.43 -0.60 -5.05 118.68 111.92 1zke s LEU 28 Ca 0.17 -0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 52.59 1zke s LEU 28 Cb -0.08 -0.83 0.02 0.00 0.03 0.00 0.00 46.19 45.34 1zke s LEU 28 CO 0.74 0.08 1.04 -0.94 0.23 0.00 0.00 176.35 177.50 1zke s SER 29 N -1.50 5.32 0.24 2.29 1.04 -1.26 -4.48 113.70 115.34 1zke s SER 29 Ca 0.05 0.91 -0.06 0.00 0.48 0.00 0.00 55.95 57.33 1zke s SER 29 Cb -0.09 -1.71 0.24 0.00 0.10 0.00 0.00 66.02 64.55 1zke s SER 29 CO 0.03 -1.35 1.87 0.25 0.98 0.00 0.00 173.24 175.02 1zke h LEU 30 N -0.56 1.12 -0.95 2.42 5.85 -1.99 -1.38 115.31 119.82 1zke h LEU 30 Ca -0.45 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 1zke h LEU 30 Cb 1.27 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 1zke h LEU 30 CO 0.63 0.88 0.53 1.23 -0.34 0.00 0.00 178.44 181.37 1zke h GLY 31 N 1.27 1.35 0.85 3.75 0.00 -1.99 -0.73 103.07 107.56 1zke h GLY 31 Ca 0.32 -0.59 0.02 0.00 0.00 0.00 0.00 47.33 47.08 1zke h GLY 31 CO -0.05 0.56 0.07 -0.55 0.00 0.00 0.00 176.54 176.57 1zke h ASP 32 N 1.28 0.08 -0.17 0.19 3.32 -1.77 -0.52 116.42 118.83 1zke h ASP 32 Ca 0.33 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.43 1zke h ASP 32 Cb -0.02 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1zke h ASP 32 CO -0.06 0.07 -0.03 0.15 -1.72 0.00 0.00 179.24 177.66 1zke h PHE 33 N 0.16 -0.06 -0.69 4.55 3.04 -0.56 -0.89 116.94 122.48 1zke h PHE 33 Ca 0.08 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.09 1zke h PHE 33 Cb 0.05 0.05 -0.05 0.00 2.56 0.00 0.00 35.95 38.56 1zke h PHE 33 CO -0.12 -0.06 0.42 0.82 -2.02 0.00 0.00 178.31 177.36 1zke h ILE 34 N 0.02 1.04 -0.10 1.41 2.04 -0.89 -0.05 117.51 120.98 1zke h ILE 34 Ca 0.08 -0.27 -0.12 0.00 1.00 0.00 0.00 64.86 65.55 1zke h ILE 34 Cb 0.11 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1zke h ILE 34 CO -0.16 0.14 -0.46 -0.33 0.00 0.00 0.00 178.15 177.35 1zke h GLU 35 N 0.79 0.23 -0.28 2.37 4.39 -0.67 -1.17 114.58 120.24 1zke h GLU 35 Ca 0.29 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.77 1zke h GLU 35 Cb 0.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1zke h GLU 35 CO -0.14 0.65 -0.22 0.82 -1.16 0.00 0.00 179.01 178.96 1zke h ILE 36 N 0.19 1.30 0.00 3.13 2.04 -0.69 -0.47 117.51 123.02 1zke h ILE 36 Ca 0.01 -1.36 -0.04 0.00 1.00 0.00 0.00 64.86 64.47 1zke h ILE 36 Cb 0.89 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1zke h ILE 36 CO 0.07 0.43 -0.20 0.50 0.00 0.00 0.00 178.15 178.95 1zke h LYS 37 N 0.38 0.00 -0.02 2.37 1.63 -0.67 -2.01 116.57 118.25 1zke h LYS 37 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1zke h LYS 37 Cb 0.77 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1zke h LYS 37 CO 0.06 0.20 -0.15 2.89 -3.45 0.00 0.00 179.45 179.00 1zke n ARG 38 N -4.18 1.47 -0.45 1.90 1.85 -0.47 -4.95 116.66 111.83 1zke n ARG 38 Ca -0.02 -1.00 0.00 0.00 -1.00 0.00 0.00 57.85 55.83 1zke n ARG 38 Cb 0.27 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 1zke n ARG 38 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1zke n GLY 39 N 1.29 0.73 0.10 2.89 0.00 -0.76 -4.96 105.19 104.49 1zke n GLY 39 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 1zke n GLY 39 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1zke h SER 40 N 0.00 0.30 -3.38 1.61 0.02 -1.35 -3.46 113.55 107.30 1zke h SER 40 Ca 0.00 -0.39 -0.66 0.00 -0.84 0.00 0.00 61.79 59.90 1zke h SER 40 Cb 0.00 -0.10 -0.19 0.00 0.14 0.00 0.00 62.40 62.25 1zke h SER 40 CO 0.00 1.32 -0.66 -0.32 -1.14 0.00 0.00 176.83 176.04 1zke s MET 41 N -2.64 3.33 0.60 3.45 0.00 -0.63 -4.98 119.30 118.43 1zke s MET 41 Ca -0.06 -0.49 -0.19 0.00 0.00 0.00 0.00 55.69 54.95 1zke s MET 41 Cb 0.07 -2.83 -0.03 0.00 0.00 0.00 0.00 34.83 32.04 1zke s MET 41 CO 0.85 0.45 1.27 -0.51 0.00 0.00 0.00 175.02 177.08 1zke s ASP 42 N -0.19 5.02 -0.06 1.11 1.11 -1.26 -4.28 116.67 118.12 1zke s ASP 42 Ca 0.04 2.56 -0.29 0.00 0.18 0.00 0.00 52.55 55.04 1zke s ASP 42 Cb -0.13 -2.62 -0.07 0.00 1.07 0.00 0.00 42.92 41.18 1zke s ASP 42 CO 0.02 -1.72 1.90 -0.32 1.18 0.00 0.00 175.17 176.23 1zke s MET 43 N -3.23 3.92 0.39 8.23 -2.45 -1.26 -4.92 119.30 119.99 1zke s MET 43 Ca 0.78 2.29 -0.27 0.00 -1.25 0.00 0.00 55.69 57.23 1zke s MET 43 Cb -0.35 -4.15 -0.10 0.00 1.25 0.00 0.00 34.83 31.48 1zke s MET 43 CO 0.39 -1.19 1.47 -2.30 1.05 0.00 0.00 175.02 174.44 1zke n PRO 44 N 7.69 2.57 0.24 4.11 -0.02 -1.26 -4.88 135.00 143.46 1zke n PRO 44 Ca 0.21 0.90 0.07 0.00 -2.02 0.00 0.00 63.50 62.66 1zke n PRO 44 Cb 0.43 -2.65 0.58 0.00 -0.02 0.00 0.00 33.50 31.84 1zke n PRO 44 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1zke h LYS 45 N 2.79 0.00 -0.00 -0.52 1.79 -2.03 -1.96 116.57 116.62 1zke h LYS 45 Ca -0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1zke h LYS 45 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1zke h LYS 45 CO 0.63 0.09 -0.16 0.41 -1.08 0.00 0.00 179.45 179.34 1zke n GLY 46 N -1.27 -0.92 3.67 3.86 0.00 -1.26 -4.85 105.19 104.41 1zke n GLY 46 Ca -0.03 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1zke n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zke s VAL 47 N -2.55 4.83 0.06 1.61 1.01 -0.74 -5.01 120.40 119.61 1zke s VAL 47 Ca 0.26 1.81 -0.31 0.00 0.00 0.00 0.00 61.98 63.74 1zke s VAL 47 Cb 0.20 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.29 1zke s VAL 47 CO 0.50 -0.00 1.50 0.21 0.00 0.00 0.00 175.10 177.31 1zke s ASN 48 N 1.14 6.74 0.23 3.32 2.47 -1.26 -4.93 114.94 122.64 1zke s ASN 48 Ca 0.42 2.33 -0.05 0.00 0.42 0.00 0.00 52.86 55.98 1zke s ASN 48 Cb -0.17 -2.57 0.22 0.00 -1.45 0.00 0.00 41.25 37.28 1zke s ASN 48 CO 0.13 -0.77 1.70 -0.33 -3.72 0.00 0.00 177.10 174.11 1zke h GLU 49 N 7.71 0.88 -0.58 0.43 5.08 -1.97 -1.34 114.58 124.80 1zke h GLU 49 Ca -0.41 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 57.58 1zke h GLU 49 Cb 1.19 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1zke h GLU 49 CO 0.91 0.90 -0.03 0.00 -1.00 0.00 0.00 179.01 179.79 1zke h ALA 50 N 1.14 0.85 -0.53 3.43 0.00 -1.99 0.35 119.26 122.51 1zke h ALA 50 Ca 0.15 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1zke h ALA 50 Cb 0.54 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1zke h ALA 50 CO 0.03 0.66 0.30 0.74 0.00 0.00 0.00 179.25 180.99 1zke h PHE 51 N 0.94 0.56 -0.70 0.00 0.05 -1.91 -1.39 116.94 114.49 1zke h PHE 51 Ca 0.16 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.97 1zke h PHE 51 Cb 0.58 -0.18 -0.03 0.00 2.00 0.00 0.00 35.95 38.32 1zke h PHE 51 CO 0.04 0.31 0.43 0.35 -0.18 0.00 0.00 178.31 179.26 1zke h PHE 52 N 0.59 0.91 -0.55 -0.55 3.57 -0.56 0.73 116.94 121.09 1zke h PHE 52 Ca 0.22 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1zke h PHE 52 Cb 0.06 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 1zke h PHE 52 CO -0.07 0.61 0.15 1.15 -2.23 0.00 0.00 178.31 177.92 1zke h THR 53 N 0.95 1.24 -0.44 4.41 2.02 -0.79 0.36 112.91 120.67 1zke h THR 53 Ca 0.25 -0.84 -0.06 0.00 0.77 0.00 0.00 66.41 66.53 1zke h THR 53 Cb -0.05 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1zke h THR 53 CO -0.05 0.31 0.03 -0.61 0.37 0.00 0.00 175.52 175.58 1zke h GLN 54 N 0.78 0.75 -0.31 6.66 4.15 -0.88 -1.12 115.11 125.13 1zke h GLN 54 Ca 0.18 -0.22 0.03 0.00 0.77 0.00 0.00 58.65 59.41 1zke h GLN 54 Cb 0.31 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1zke h GLN 54 CO -0.00 0.80 0.11 1.25 -1.93 0.00 0.00 178.83 179.06 1zke h LEU 55 N 0.60 0.13 -0.60 -2.39 5.85 -0.71 -1.67 115.31 116.52 1zke h LEU 55 Ca 0.13 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.95 1zke h LEU 55 Cb 0.44 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1zke h LEU 55 CO 0.02 0.11 0.29 -1.28 -0.34 0.00 0.00 178.44 177.24 1zke h SER 56 N 0.25 0.39 -0.74 1.25 0.87 -0.55 -0.01 113.55 115.01 1zke h SER 56 Ca 0.14 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1zke h SER 56 Cb 0.10 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 1zke h SER 56 CO -0.14 0.25 0.34 -0.33 -0.53 0.00 0.00 176.83 176.42 1zke h GLU 57 N 0.53 1.08 -0.11 2.24 5.08 -0.89 -1.38 114.58 121.13 1zke h GLU 57 Ca 0.28 -0.17 -0.17 0.00 -1.00 0.00 0.00 59.36 58.31 1zke h GLU 57 Cb 0.25 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1zke h GLU 57 CO -0.22 0.85 -0.64 1.49 -1.00 0.00 0.00 179.01 179.50 1zke h GLU 58 N 1.04 0.42 -0.67 2.33 4.57 -0.77 -2.17 114.58 119.34 1zke h GLU 58 Ca 0.25 -0.30 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 1zke h GLU 58 Cb 0.14 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 1zke h GLU 58 CO -0.03 0.92 0.23 0.28 -1.18 0.00 0.00 179.01 179.23 1zke h VAL 59 N 0.30 1.24 -0.83 0.32 2.07 -0.75 -0.63 116.25 117.97 1zke h VAL 59 Ca -0.01 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1zke h VAL 59 Cb 1.18 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1zke h VAL 59 CO 0.11 0.32 0.48 -0.33 0.02 0.00 0.00 177.57 178.17 1zke h GLU 60 N 0.98 1.14 -0.86 1.57 4.39 -1.05 -1.02 114.58 119.73 1zke h GLU 60 Ca 0.22 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1zke h GLU 60 Cb 0.25 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 1zke h GLU 60 CO -0.01 0.82 0.51 0.00 -1.16 0.00 0.00 179.01 179.17 1zke h ARG 61 N 1.15 1.18 -0.40 2.33 3.08 -0.79 -0.73 114.38 120.19 1zke h ARG 61 Ca 0.30 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 1zke h ARG 61 Cb -0.01 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 1zke h ARG 61 CO -0.05 0.83 0.18 1.25 -1.07 0.00 0.00 179.97 181.10 1zke h LEU 62 N 1.19 0.54 -0.54 3.04 5.85 -0.55 -0.43 115.31 124.42 1zke h LEU 62 Ca 0.31 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1zke h LEU 62 Cb -0.04 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1zke h LEU 62 CO -0.06 0.54 0.32 0.11 -0.34 0.00 0.00 178.44 179.02 1zke h LYS 63 N 0.51 0.62 -0.72 1.25 1.57 -0.88 -1.92 116.57 117.00 1zke h LYS 63 Ca 0.14 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1zke h LYS 63 Cb 0.16 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1zke h LYS 63 CO -0.01 0.41 0.29 0.93 -0.57 0.00 0.00 179.45 180.50 1zke h GLU 64 N 0.64 1.06 -0.43 3.15 5.08 -0.77 -0.33 114.58 122.98 1zke h GLU 64 Ca 0.22 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1zke h GLU 64 Cb 0.02 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1zke h GLU 64 CO -0.10 0.85 0.20 -0.07 -1.00 0.00 0.00 179.01 178.90 1zke h LEU 65 N 1.04 0.58 -0.74 1.33 3.38 -0.79 0.20 115.31 120.30 1zke h LEU 65 Ca 0.24 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1zke h LEU 65 Cb 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1zke h LEU 65 CO -0.02 0.55 0.03 0.40 0.09 0.00 0.00 178.44 179.50 1zke h ILE 66 N 0.56 1.26 -0.72 1.22 2.04 -1.04 -2.23 117.51 118.60 1zke h ILE 66 Ca 0.15 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 1zke h ILE 66 Cb 0.14 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1zke h ILE 66 CO -0.02 0.39 0.41 0.78 0.00 0.00 0.00 178.15 179.72 1zke h ASN 67 N 0.92 0.87 -0.86 1.72 2.35 -0.81 -0.94 115.58 118.83 1zke h ASN 67 Ca 0.17 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1zke h ASN 67 Cb 0.49 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 1zke h ASN 67 CO 0.02 0.68 0.47 0.00 -1.65 0.00 0.00 177.43 176.95 1zke h ALA 68 N 1.46 1.10 -0.50 -0.83 0.00 -0.53 -1.04 119.26 118.92 1zke h ALA 68 Ca 0.26 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1zke h ALA 68 Cb -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1zke h ALA 68 CO -0.05 0.61 0.02 1.25 0.00 0.00 0.00 179.25 181.09 1zke h LEU 69 N 1.20 0.85 -0.61 0.00 6.46 -0.88 -1.94 115.31 120.39 1zke h LEU 69 Ca 0.30 -0.29 0.07 0.00 -0.12 0.00 0.00 57.88 57.84 1zke h LEU 69 Cb 0.03 -0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 39.68 1zke h LEU 69 CO -0.05 0.93 0.29 0.78 -0.62 0.00 0.00 178.44 179.78 1zke h ASN 70 N 0.74 0.40 -0.51 1.25 4.21 -0.73 -1.63 115.58 119.30 1zke h ASN 70 Ca 0.15 0.05 -0.07 0.00 1.21 0.00 0.00 56.30 57.63 1zke h ASN 70 Cb 0.48 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.64 1zke h ASN 70 CO 0.02 0.25 0.04 0.50 -1.29 0.00 0.00 177.43 176.95 1zke h LYS 71 N 0.54 0.88 -0.62 0.81 3.64 -1.00 -2.60 116.57 118.22 1zke h LYS 71 Ca 0.28 -0.26 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1zke h LYS 71 Cb 0.24 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 1zke h LYS 71 CO -0.22 0.89 0.36 0.82 -2.27 0.00 0.00 179.45 179.04 1zke h ILE 72 N 0.75 1.02 -0.04 2.00 2.04 -1.04 -2.30 117.51 119.95 1zke h ILE 72 Ca 0.15 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1zke h ILE 72 Cb 0.47 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1zke h ILE 72 CO 0.02 0.13 0.04 0.50 0.00 0.00 0.00 178.15 178.83 1zke h LYS 73 N 0.69 0.00 -0.19 2.37 3.11 -0.93 -0.77 116.57 120.85 1zke h LYS 73 Ca 0.27 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 58.16 1zke h LYS 73 Cb 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.32 1zke h LYS 73 CO -0.14 0.00 0.17 -0.22 -2.81 0.00 0.00 179.45 176.45 1zke h LYS 74 N 0.00 0.00 0.00 1.90 3.64 -1.17 0.00 116.57 120.94 1zke h LYS 74 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1zke h LYS 74 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1zke h LYS 74 CO -0.00 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.59 1zke n GLY 75 N -1.47 -0.73 1.11 5.01 0.00 -0.30 -2.17 105.19 106.63 1zke n GLY 75 Ca 0.02 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1zke n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1zke n LEU 76 N -1.49 3.35 -4.77 0.99 4.77 -0.01 -4.98 117.00 114.85 1zke n LEU 76 Ca 0.02 -1.37 -0.40 0.00 -0.03 0.00 0.00 56.01 54.23 1zke n LEU 76 Cb 0.08 -0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1zke n LEU 76 CO 0.07 0.68 1.02 -0.76 -1.33 0.00 0.00 177.39 177.07 1zke s LEU 77 N -1.62 4.27 -0.05 2.23 1.43 -0.92 -5.00 118.68 119.02 1zke s LEU 77 Ca 0.36 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 56.25 1zke s LEU 77 Cb 0.22 -3.80 0.02 0.00 0.03 0.00 0.00 46.19 42.67 1zke s LEU 77 CO 0.31 -0.82 -0.03 -0.69 0.23 0.00 0.00 176.35 175.36 1zke s VAL 78 N -1.19 0.46 -1.82 -1.59 1.01 -0.50 -4.73 120.40 112.03 1zke s VAL 78 Ca 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1zke s VAL 78 Cb -0.41 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.44 1zke s VAL 78 CO 0.54 0.23 0.00 0.49 0.00 0.00 0.00 175.10 176.36 1zke n PHE 79 N 4.37 0.00 -0.66 5.22 0.99 -1.26 -1.99 117.46 124.12 1zke n PHE 79 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.25 1zke n PHE 79 Cb 0.51 -3.16 0.00 0.00 -1.00 0.00 0.00 39.48 35.82 1zke n PHE 79 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1zke n GLY 80 N -0.29 0.66 0.00 1.37 0.00 -1.26 -5.33 105.19 100.34 1zke n GLY 80 Ca -0.17 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1zke n GLY 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18