#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kz3 s LEU 6 N 0.00 4.23 0.88 -3.43 1.02 -1.26 -5.06 118.68 115.06 3kz3 s LEU 6 Ca 0.00 1.98 -0.12 0.00 0.02 0.00 0.00 54.13 56.01 3kz3 s LEU 6 Cb 0.00 -4.10 0.12 0.00 0.02 0.00 0.00 46.19 42.23 3kz3 s LEU 6 CO 0.00 -0.32 1.10 0.42 0.02 0.00 0.00 176.35 177.57 3kz3 s THR 7 N -1.63 2.67 0.22 5.49 -4.23 -1.26 -4.85 115.64 112.04 3kz3 s THR 7 Ca 0.54 0.22 -0.08 0.00 -1.18 0.00 0.00 61.69 61.19 3kz3 s THR 7 Cb -0.21 -2.79 0.16 0.00 1.34 0.00 0.00 72.50 71.01 3kz3 s THR 7 CO 0.27 -0.28 1.80 -0.61 -0.54 0.00 0.00 174.62 175.26 3kz3 h GLN 8 N -1.46 0.67 -0.19 3.99 4.15 -1.99 -1.48 115.11 118.80 3kz3 h GLN 8 Ca -0.49 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 58.77 3kz3 h GLN 8 Cb 1.29 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.81 3kz3 h GLN 8 CO 0.57 0.44 -0.37 1.49 -1.93 0.00 0.00 178.83 179.03 3kz3 h GLU 9 N 0.69 0.40 -0.31 1.69 4.81 -1.99 -0.43 114.58 119.44 3kz3 h GLU 9 Ca 0.33 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 3kz3 h GLU 9 Cb 0.25 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3kz3 h GLU 9 CO -0.21 0.71 -0.25 1.96 -0.73 0.00 0.00 179.01 180.49 3kz3 h GLN 10 N 0.34 0.61 -0.34 1.92 4.20 -1.79 -0.26 115.11 119.80 3kz3 h GLN 10 Ca 0.04 -0.25 -0.09 0.00 0.06 0.00 0.00 58.65 58.41 3kz3 h GLN 10 Cb 0.80 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 3kz3 h GLN 10 CO 0.06 0.81 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.81 3kz3 h LEU 11 N 0.54 0.60 -0.61 1.46 3.38 -0.79 -1.81 115.31 118.07 3kz3 h LEU 11 Ca 0.07 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3kz3 h LEU 11 Cb 0.72 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3kz3 h LEU 11 CO 0.06 0.77 -0.14 -0.33 0.09 0.00 0.00 178.44 178.89 3kz3 h GLU 12 N 0.55 0.95 -0.32 1.13 4.39 -0.83 -0.94 114.58 119.50 3kz3 h GLU 12 Ca 0.09 -0.36 0.02 0.00 0.34 0.00 0.00 59.36 59.46 3kz3 h GLU 12 Cb 0.58 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 3kz3 h GLU 12 CO 0.04 1.02 0.16 -0.44 -1.16 0.00 0.00 179.01 178.63 3kz3 h ASP 13 N 0.84 0.24 -0.71 1.42 3.32 -0.82 -1.39 116.42 119.32 3kz3 h ASP 13 Ca 0.13 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 3kz3 h ASP 13 Cb 0.69 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 3kz3 h ASP 13 CO 0.05 0.18 0.19 0.00 -1.72 0.00 0.00 179.24 177.94 3kz3 h ALA 14 N 1.17 0.98 -0.82 3.45 0.00 -1.16 0.32 119.26 123.21 3kz3 h ALA 14 Ca 0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3kz3 h ALA 14 Cb 0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3kz3 h ALA 14 CO -0.09 0.66 0.39 -0.09 0.00 0.00 0.00 179.25 180.12 3kz3 h ARG 15 N 1.07 1.18 -0.61 0.00 2.43 -0.83 0.38 114.38 118.00 3kz3 h ARG 15 Ca 0.23 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 3kz3 h ARG 15 Cb 0.35 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3kz3 h ARG 15 CO -0.00 0.91 0.08 0.00 -1.51 0.00 0.00 179.97 179.45 3kz3 h ARG 16 N 1.16 1.00 -0.16 0.20 3.08 -0.91 -1.90 114.38 116.85 3kz3 h ARG 16 Ca 0.28 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3kz3 h ARG 16 Cb 0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3kz3 h ARG 16 CO -0.04 0.93 0.02 1.25 -1.07 0.00 0.00 179.97 181.07 3kz3 h LEU 17 N 0.94 0.25 -1.34 3.04 5.85 -0.41 -1.75 115.31 121.89 3kz3 h LEU 17 Ca 0.19 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3kz3 h LEU 17 Cb 0.43 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3kz3 h LEU 17 CO 0.01 0.46 0.32 0.50 -0.34 0.00 0.00 178.44 179.39 3kz3 h LYS 18 N 0.03 0.77 -0.32 1.25 3.64 -0.85 -0.58 116.57 120.51 3kz3 h LYS 18 Ca 0.05 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 3kz3 h LYS 18 Cb 0.32 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3kz3 h LYS 18 CO 0.00 0.56 -0.32 0.00 -2.27 0.00 0.00 179.45 177.42 3kz3 h ALA 19 N 1.57 0.82 -0.18 5.00 0.00 -1.13 -0.15 119.26 125.20 3kz3 h ALA 19 Ca 0.20 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3kz3 h ALA 19 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3kz3 h ALA 19 CO -0.03 0.64 0.01 0.82 0.00 0.00 0.00 179.25 180.69 3kz3 h ILE 20 N 0.60 1.25 -0.54 0.00 2.04 -0.62 -1.16 117.51 119.07 3kz3 h ILE 20 Ca 0.07 -0.82 0.11 0.00 1.00 0.00 0.00 64.86 65.21 3kz3 h ILE 20 Cb 0.84 1.44 -0.09 0.00 -0.74 0.00 0.00 36.82 38.27 3kz3 h ILE 20 CO 0.07 0.25 0.02 -0.25 0.00 0.00 0.00 178.15 178.24 3kz3 h TRP 21 N 0.07 0.01 -0.19 1.37 2.91 -0.99 -0.02 115.95 119.10 3kz3 h TRP 21 Ca 0.05 0.04 -0.12 0.00 1.13 0.00 0.00 58.89 59.99 3kz3 h TRP 21 Cb 0.36 0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.08 3kz3 h TRP 21 CO 0.03 -0.11 -0.38 0.93 -1.03 0.00 0.00 178.44 177.88 3kz3 h GLU 22 N 0.14 0.42 -0.34 2.65 4.39 -0.88 0.36 114.58 121.32 3kz3 h GLU 22 Ca 0.28 -0.20 -0.15 0.00 0.34 0.00 0.00 59.36 59.63 3kz3 h GLU 22 Cb 0.43 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3kz3 h GLU 22 CO -0.44 0.74 -0.38 0.87 -1.16 0.00 0.00 179.01 178.64 3kz3 h LYS 23 N 0.35 0.80 0.00 2.33 1.57 -0.61 -3.37 116.57 117.64 3kz3 h LYS 23 Ca 0.04 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3kz3 h LYS 23 Cb 0.83 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3kz3 h LYS 23 CO 0.07 1.04 -1.13 1.63 -0.57 0.00 0.00 179.45 180.49 3kz3 n LYS 24 N -4.05 1.43 -0.37 3.15 5.02 -0.08 -4.64 118.16 118.63 3kz3 n LYS 24 Ca -0.02 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3kz3 n LYS 24 Cb 0.53 -1.26 0.15 0.00 -0.02 0.00 0.00 35.03 34.43 3kz3 n LYS 24 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 3kz3 h LYS 25 N 0.00 1.23 -0.19 1.97 2.10 -1.09 -1.57 116.57 119.02 3kz3 h LYS 25 Ca 0.00 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.55 3kz3 h LYS 25 Cb 0.49 -0.28 -0.01 0.00 -0.90 0.00 0.00 32.23 31.54 3kz3 h LYS 25 CO 0.00 0.81 0.03 -0.91 -2.00 0.00 0.00 179.45 177.39 3kz3 h ASN 26 N 1.27 0.30 0.35 7.07 -0.26 -1.82 -0.47 115.58 122.02 3kz3 h ASN 26 Ca 0.40 -0.26 -0.05 0.00 -0.56 0.00 0.00 56.30 55.84 3kz3 h ASN 26 Cb -0.00 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 3kz3 h ASN 26 CO -0.12 0.48 -0.22 1.05 -1.06 0.00 0.00 177.43 177.56 3kz3 h GLU 27 N 0.11 0.00 -0.00 0.81 4.11 -1.76 -1.30 114.58 116.55 3kz3 h GLU 27 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 3kz3 h GLU 27 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3kz3 h GLU 27 CO 0.00 0.22 -0.20 1.28 0.07 0.00 0.00 179.01 180.38 3kz3 n LEU 28 N -3.93 0.31 -1.84 3.06 4.77 -0.63 -4.93 117.00 113.82 3kz3 n LEU 28 Ca -0.02 0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 56.00 3kz3 n LEU 28 Cb 0.30 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3kz3 n LEU 28 CO 0.34 0.07 -0.07 0.61 -1.33 0.00 0.00 177.39 177.01 3kz3 n GLY 29 N 1.44 -0.14 3.75 -0.72 0.00 -0.49 -5.01 105.19 104.01 3kz3 n GLY 29 Ca 0.09 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 3kz3 n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kz3 s LEU 30 N -4.27 3.68 0.36 0.99 1.43 -0.30 -5.04 118.68 115.53 3kz3 s LEU 30 Ca 0.11 -0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.15 3kz3 s LEU 30 Cb -0.05 -2.35 -0.06 0.00 0.03 0.00 0.00 46.19 43.75 3kz3 s LEU 30 CO 0.14 0.14 0.04 -0.94 0.23 0.00 0.00 176.35 175.97 3kz3 s SER 31 N -2.58 2.95 0.28 2.29 1.04 -1.26 -4.58 113.70 111.84 3kz3 s SER 31 Ca 0.29 -1.40 0.01 0.00 0.48 0.00 0.00 55.95 55.33 3kz3 s SER 31 Cb -0.11 -0.13 0.58 0.00 0.10 0.00 0.00 66.02 66.46 3kz3 s SER 31 CO 0.21 -0.59 1.81 0.22 0.98 0.00 0.00 173.24 175.87 3kz3 h TYR 32 N 1.95 1.04 -0.02 5.02 3.20 -2.00 0.16 116.97 126.33 3kz3 h TYR 32 Ca -0.42 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.47 3kz3 h TYR 32 Cb 1.25 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 39.20 3kz3 h TYR 32 CO 0.72 0.35 -0.03 0.93 -1.64 0.00 0.00 178.16 178.48 3kz3 h GLU 33 N 0.87 0.06 0.00 1.82 3.07 -1.96 -3.28 114.58 115.16 3kz3 h GLU 33 Ca 0.50 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.29 3kz3 h GLU 33 Cb 0.60 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.51 3kz3 h GLU 33 CO -0.31 0.59 -0.17 0.66 -1.40 0.00 0.00 179.01 178.39 3kz3 h SER 34 N -0.46 0.00 0.99 1.42 4.64 -1.76 -2.00 113.55 116.38 3kz3 h SER 34 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 3kz3 h SER 34 Cb 0.59 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.65 3kz3 h SER 34 CO 0.01 0.17 -0.91 0.58 -0.87 0.00 0.00 176.83 175.80 3kz3 h VAL 35 N 0.00 1.61 -0.45 0.95 2.07 -0.84 -1.23 116.25 118.36 3kz3 h VAL 35 Ca -0.00 -3.16 -0.05 0.00 0.82 0.00 0.00 66.70 64.31 3kz3 h VAL 35 Cb 0.95 2.72 -0.02 0.00 -1.52 0.00 0.00 31.29 33.42 3kz3 h VAL 35 CO 0.02 0.89 0.08 0.00 0.02 0.00 0.00 177.57 178.58 3kz3 h ALA 36 N 1.09 0.59 -0.97 1.67 0.00 -1.57 -1.37 119.26 118.71 3kz3 h ALA 36 Ca -0.01 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.71 3kz3 h ALA 36 Cb 1.65 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 3kz3 h ALA 36 CO 0.12 0.31 0.64 -0.44 0.00 0.00 0.00 179.25 179.88 3kz3 h ASP 37 N 0.60 1.07 0.09 0.00 3.32 -1.26 -0.47 116.42 119.78 3kz3 h ASP 37 Ca 0.14 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 3kz3 h ASP 37 Cb 0.37 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3kz3 h ASP 37 CO 0.01 0.75 -0.24 0.50 -1.72 0.00 0.00 179.24 178.54 3kz3 h LYS 38 N 1.25 0.26 -0.01 3.56 1.63 -0.92 -2.05 116.57 120.29 3kz3 h LYS 38 Ca 0.38 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 3kz3 h LYS 38 Cb -0.04 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 3kz3 h LYS 38 CO -0.11 0.49 -0.06 -1.33 -3.45 0.00 0.00 179.45 174.99 3kz3 n MET 39 N -4.17 1.31 -3.04 1.90 2.81 -0.44 -4.93 117.12 110.57 3kz3 n MET 39 Ca -0.01 -0.67 -0.21 0.00 -1.81 0.00 0.00 57.70 55.00 3kz3 n MET 39 Cb 0.35 -1.49 0.04 0.00 -0.71 0.00 0.00 33.22 31.42 3kz3 n MET 39 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kz3 n GLY 40 N 1.20 -0.42 3.31 3.03 0.00 -0.31 -5.01 105.19 106.99 3kz3 n GLY 40 Ca 0.18 0.07 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 3kz3 n GLY 40 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3kz3 s MET 41 N -5.69 1.35 0.62 1.61 0.23 -0.65 -5.04 119.30 111.73 3kz3 s MET 41 Ca 0.32 -1.71 -0.16 0.00 -1.03 0.00 0.00 55.69 53.10 3kz3 s MET 41 Cb -0.14 -0.33 -0.02 0.00 -1.53 0.00 0.00 34.83 32.81 3kz3 s MET 41 CO 0.39 -0.23 1.11 0.20 -2.03 0.00 0.00 175.02 174.46 3kz3 s GLY 42 N -3.29 2.29 0.22 3.16 0.00 -1.26 -4.21 107.32 104.22 3kz3 s GLY 42 Ca 0.34 0.61 -0.09 0.00 0.00 0.00 0.00 44.72 45.58 3kz3 s GLY 42 CO 0.11 0.96 1.84 1.46 0.00 0.00 0.00 173.10 177.47 3kz3 h GLN 43 N 0.42 0.82 0.00 2.90 4.20 -1.92 -2.15 115.11 119.38 3kz3 h GLN 43 Ca -0.48 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.11 3kz3 h GLN 43 Cb 1.25 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 3kz3 h GLN 43 CO 0.55 0.54 -0.34 0.66 -0.67 0.00 0.00 178.83 179.57 3kz3 h SER 44 N 0.84 0.00 -0.75 1.46 4.64 -1.95 -2.20 113.55 115.60 3kz3 h SER 44 Ca 0.31 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.60 3kz3 h SER 44 Cb 0.09 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 3kz3 h SER 44 CO -0.14 0.34 0.36 0.00 -0.87 0.00 0.00 176.83 176.52 3kz3 h ALA 45 N 1.66 0.96 -0.08 5.18 0.00 -1.78 0.33 119.26 125.53 3kz3 h ALA 45 Ca -0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 3kz3 h ALA 45 Cb 1.14 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.64 3kz3 h ALA 45 CO 0.04 0.53 -0.65 0.28 0.00 0.00 0.00 179.25 179.45 3kz3 h VAL 46 N 1.05 1.35 -0.55 0.00 2.07 -1.35 -2.91 116.25 115.91 3kz3 h VAL 46 Ca 0.26 -1.97 0.07 0.00 0.82 0.00 0.00 66.70 65.88 3kz3 h VAL 46 Cb 0.12 2.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 3kz3 h VAL 46 CO -0.03 0.60 0.36 0.00 0.02 0.00 0.00 177.57 178.52 3kz3 h ALA 47 N 0.44 1.93 -0.63 1.67 0.00 -1.32 -0.18 119.26 121.18 3kz3 h ALA 47 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kz3 h ALA 47 Cb 1.31 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3kz3 h ALA 47 CO 0.13 -0.04 0.40 0.00 0.00 0.00 0.00 179.25 179.74 3kz3 h ALA 48 N 1.71 1.52 -0.12 0.00 0.00 -0.73 0.16 119.26 121.81 3kz3 h ALA 48 Ca 0.24 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 3kz3 h ALA 48 Cb 0.38 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kz3 h ALA 48 CO -0.07 0.43 -0.43 -0.07 0.00 0.00 0.00 179.25 179.11 3kz3 h LEU 49 N 0.85 0.59 -0.92 0.00 3.38 -0.96 -0.38 115.31 117.87 3kz3 h LEU 49 Ca 0.23 -0.62 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 3kz3 h LEU 49 Cb -0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3kz3 h LEU 49 CO -0.05 1.10 -0.04 -0.26 0.09 0.00 0.00 178.44 179.29 3kz3 h PHE 50 N 0.10 0.80 -0.31 1.13 0.04 -0.95 -3.08 116.94 114.68 3kz3 h PHE 50 Ca -0.02 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.63 3kz3 h PHE 50 Cb 1.07 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 39.00 3kz3 h PHE 50 CO 0.11 0.77 0.00 0.09 -0.60 0.00 0.00 178.31 178.68 3kz3 n ASN 51 N -4.20 2.59 -0.16 2.17 3.02 0.52 -4.38 115.26 114.81 3kz3 n ASN 51 Ca 0.02 -1.88 -0.02 0.00 -0.03 0.00 0.00 54.58 52.68 3kz3 n ASN 51 Cb 0.32 -0.20 -0.00 0.00 -0.61 0.00 0.00 39.78 39.28 3kz3 n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kz3 n GLY 52 N 1.32 0.39 0.12 7.41 0.00 -1.04 -4.94 105.19 108.44 3kz3 n GLY 52 Ca 0.18 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 45.12 3kz3 n GLY 52 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kz3 n ILE 53 N -3.56 1.72 -5.03 -0.61 5.41 -0.20 -4.88 119.36 112.21 3kz3 n ILE 53 Ca -0.02 -0.70 -0.29 0.00 1.00 0.00 0.00 62.75 62.74 3kz3 n ILE 53 Cb 0.32 -1.50 -0.15 0.00 -0.71 0.00 0.00 39.64 37.60 3kz3 n ILE 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 3kz3 s ASN 54 N -6.73 2.86 0.54 4.38 0.01 -0.93 -4.94 114.94 110.14 3kz3 s ASN 54 Ca -0.17 -0.49 -0.17 0.00 -0.71 0.00 0.00 52.86 51.32 3kz3 s ASN 54 Cb 0.07 -0.29 -0.06 0.00 0.41 0.00 0.00 41.25 41.38 3kz3 s ASN 54 CO 0.78 0.27 1.02 0.00 -1.51 0.00 0.00 177.10 177.65 3kz3 s ALA 55 N -0.67 2.92 0.68 0.60 0.00 -1.26 -4.27 121.76 119.76 3kz3 s ALA 55 Ca 0.10 0.30 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 3kz3 s ALA 55 Cb -0.09 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.86 3kz3 s ALA 55 CO 0.00 -0.46 1.13 -0.51 0.00 0.00 0.00 175.76 175.93 3kz3 s LEU 56 N -4.17 3.37 0.00 0.00 1.43 -1.26 -4.99 118.68 113.05 3kz3 s LEU 56 Ca 0.61 2.08 0.02 0.00 -1.03 0.00 0.00 54.13 55.81 3kz3 s LEU 56 Cb -0.13 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.53 3kz3 s LEU 56 CO 0.32 -1.78 0.08 -0.46 0.23 0.00 0.00 176.35 174.74 3kz3 n ASN 57 N -2.50 2.05 0.05 2.29 0.23 -1.26 -4.99 115.26 111.13 3kz3 n ASN 57 Ca 0.11 -3.00 -0.06 0.00 -0.53 0.00 0.00 54.58 51.10 3kz3 n ASN 57 Cb 0.52 0.69 0.12 0.00 -2.08 0.00 0.00 39.78 39.03 3kz3 n ASN 57 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kz3 h ALA 58 N 1.46 0.85 0.55 -2.53 0.00 -1.98 -0.18 119.26 117.43 3kz3 h ALA 58 Ca -0.33 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.06 3kz3 h ALA 58 Cb 1.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3kz3 h ALA 58 CO 0.53 0.68 -0.36 -0.92 0.00 0.00 0.00 179.25 179.18 3kz3 h TYR 59 N 0.28 -0.96 -0.45 0.00 3.20 -2.00 -2.25 116.97 114.80 3kz3 h TYR 59 Ca 0.01 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 3kz3 h TYR 59 Cb 1.03 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.63 3kz3 h TYR 59 CO 0.03 -0.54 -0.21 -0.91 -1.64 0.00 0.00 178.16 174.89 3kz3 h ASN 60 N -0.87 0.91 -0.44 -2.11 2.35 -1.96 -2.44 115.58 111.02 3kz3 h ASN 60 Ca -0.06 -0.33 -0.03 0.00 -0.55 0.00 0.00 56.30 55.32 3kz3 h ASN 60 Cb 0.72 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 3kz3 h ASN 60 CO 0.05 1.09 0.15 0.00 -1.65 0.00 0.00 177.43 177.07 3kz3 h ALA 61 N 0.98 0.58 -0.57 -0.83 0.00 -1.06 -0.86 119.26 117.49 3kz3 h ALA 61 Ca 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3kz3 h ALA 61 Cb 0.75 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3kz3 h ALA 61 CO 0.06 0.22 0.26 0.00 0.00 0.00 0.00 179.25 179.78 3kz3 h ALA 62 N 1.00 0.74 -0.50 0.00 0.00 -1.32 -0.47 119.26 118.71 3kz3 h ALA 62 Ca 0.14 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3kz3 h ALA 62 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kz3 h ALA 62 CO -0.01 0.33 -0.14 1.25 0.00 0.00 0.00 179.25 180.68 3kz3 h LEU 63 N 0.78 0.99 -0.88 0.00 5.85 -1.32 -1.71 115.31 119.01 3kz3 h LEU 63 Ca 0.19 -0.37 -0.10 0.00 0.84 0.00 0.00 57.88 58.44 3kz3 h LEU 63 Cb 0.15 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3kz3 h LEU 63 CO -0.02 1.13 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.84 3kz3 h LEU 64 N 0.84 0.49 -0.55 2.25 3.38 -0.94 -0.98 115.31 119.80 3kz3 h LEU 64 Ca 0.12 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3kz3 h LEU 64 Cb 0.71 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3kz3 h LEU 64 CO 0.05 0.76 0.22 0.00 0.09 0.00 0.00 178.44 179.57 3kz3 h ALA 65 N 1.27 0.71 -0.39 1.53 0.00 -0.77 0.62 119.26 122.23 3kz3 h ALA 65 Ca 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3kz3 h ALA 65 Cb 0.73 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3kz3 h ALA 65 CO 0.06 0.32 0.06 0.87 0.00 0.00 0.00 179.25 180.56 3kz3 h LYS 66 N 0.75 0.65 -0.56 0.00 1.57 -1.00 0.16 116.57 118.14 3kz3 h LYS 66 Ca 0.18 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3kz3 h LYS 66 Cb 0.20 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3kz3 h LYS 66 CO -0.02 0.71 0.15 0.82 -0.57 0.00 0.00 179.45 180.54 3kz3 h ILE 67 N 0.49 1.24 -0.00 1.86 2.04 -0.99 -2.70 117.51 119.46 3kz3 h ILE 67 Ca 0.12 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3kz3 h ILE 67 Cb 0.38 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3kz3 h ILE 67 CO 0.01 0.31 -0.07 0.18 0.00 0.00 0.00 178.15 178.58 3kz3 n LEU 68 N -4.42 0.15 -3.46 1.44 4.77 0.19 -4.95 117.00 110.73 3kz3 n LEU 68 Ca 0.02 0.26 -0.18 0.00 -0.03 0.00 0.00 56.01 56.09 3kz3 n LEU 68 Cb 0.22 -0.32 0.09 0.00 -2.33 0.00 0.00 43.42 41.07 3kz3 n LEU 68 CO 0.40 0.03 0.13 0.29 -1.33 0.00 0.00 177.39 176.91 3kz3 n LYS 69 N -1.30 -6.78 -4.30 3.23 5.02 0.49 -5.02 118.16 109.50 3kz3 n LYS 69 Ca 0.11 0.84 -0.16 0.00 -2.02 0.00 0.00 58.31 57.09 3kz3 n LYS 69 Cb 0.29 -5.86 -0.10 0.00 -0.02 0.00 0.00 35.03 29.33 3kz3 n LYS 69 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3kz3 s VAL 70 N -3.36 0.80 0.33 -0.18 -7.23 -0.71 -5.05 120.40 105.00 3kz3 s VAL 70 Ca 0.08 -2.01 -0.26 0.00 -1.81 0.00 0.00 61.98 57.98 3kz3 s VAL 70 Cb -0.03 -2.34 -0.09 0.00 0.56 0.00 0.00 36.38 34.47 3kz3 s VAL 70 CO 0.73 -0.30 1.00 -0.44 -0.31 0.00 0.00 175.10 175.79 3kz3 s SER 71 N -3.26 7.18 0.28 4.85 0.01 -1.26 -4.49 113.70 117.01 3kz3 s SER 71 Ca 0.29 1.98 0.02 0.00 1.31 0.00 0.00 55.95 59.55 3kz3 s SER 71 Cb 0.06 -2.59 0.60 0.00 0.21 0.00 0.00 66.02 64.30 3kz3 s SER 71 CO 0.08 -0.18 1.78 0.58 0.41 0.00 0.00 173.24 175.91 3kz3 h VAL 72 N 2.61 0.75 0.00 3.43 2.07 -1.92 -1.00 116.25 122.20 3kz3 h VAL 72 Ca -0.47 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3kz3 h VAL 72 Cb 1.20 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3kz3 h VAL 72 CO 0.65 0.13 0.00 1.05 0.02 0.00 0.00 177.57 179.42 3kz3 h GLU 73 N 0.73 0.00 0.00 1.57 9.09 -1.92 0.37 114.58 124.42 3kz3 h GLU 73 Ca 0.51 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.89 3kz3 h GLU 73 Cb 0.70 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.80 3kz3 h GLU 73 CO -0.35 0.00 -0.14 0.93 0.05 0.00 0.00 179.01 179.50 3kz3 h GLU 74 N 0.00 0.00 0.00 1.06 5.08 -1.57 -3.25 114.58 115.91 3kz3 h GLU 74 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3kz3 h GLU 74 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3kz3 h GLU 74 CO 0.00 0.14 -1.27 1.97 -1.00 0.00 0.00 179.01 178.85 3kz3 n PHE 75 N -3.37 0.00 -3.45 4.33 -1.74 -0.29 -4.84 117.46 108.10 3kz3 n PHE 75 Ca -0.00 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.60 3kz3 n PHE 75 Cb 0.34 -0.18 -0.11 0.00 1.52 0.00 0.00 39.48 41.05 3kz3 n PHE 75 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 3kz3 s SER 76 N -3.21 2.35 0.45 5.98 0.15 -0.04 -4.28 113.70 115.11 3kz3 s SER 76 Ca -0.02 -2.62 0.19 0.00 0.70 0.00 0.00 55.95 54.20 3kz3 s SER 76 Cb 0.02 -0.46 1.16 0.00 -1.71 0.00 0.00 66.02 65.02 3kz3 s SER 76 CO 0.18 -0.24 1.93 -0.65 1.20 0.00 0.00 173.24 175.66 3kz3 h PRO 77 N 6.37 0.29 -0.05 5.44 0.11 -1.76 -0.86 132.00 141.54 3kz3 h PRO 77 Ca 0.15 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.17 3kz3 h PRO 77 Cb 0.94 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3kz3 h PRO 77 CO 0.33 0.19 -0.26 0.66 -0.21 0.00 0.00 178.00 178.71 3kz3 h SER 78 N 0.30 0.30 -0.92 -2.05 4.64 -1.93 -1.03 113.55 112.87 3kz3 h SER 78 Ca 0.36 -0.67 0.03 0.00 -0.47 0.00 0.00 61.79 61.04 3kz3 h SER 78 Cb 0.97 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.92 3kz3 h SER 78 CO -0.09 0.92 0.60 0.40 -0.87 0.00 0.00 176.83 177.79 3kz3 h ILE 79 N -0.29 1.16 -0.40 0.95 2.04 -1.88 -2.39 117.51 116.70 3kz3 h ILE 79 Ca -0.02 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 3kz3 h ILE 79 Cb 0.92 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3kz3 h ILE 79 CO 0.05 0.21 -0.01 0.00 0.00 0.00 0.00 178.15 178.40 3kz3 h ALA 80 N 1.46 1.23 -0.37 1.87 0.00 -0.99 0.37 119.26 122.84 3kz3 h ALA 80 Ca 0.36 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3kz3 h ALA 80 Cb -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kz3 h ALA 80 CO -0.11 0.51 -0.29 0.00 0.00 0.00 0.00 179.25 179.36 3kz3 h ARG 81 N 0.61 0.79 0.00 0.00 3.08 -0.69 -2.88 114.38 115.29 3kz3 h ARG 81 Ca 0.12 -0.36 -0.15 0.00 0.07 0.00 0.00 59.98 59.67 3kz3 h ARG 81 Cb 0.40 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3kz3 h ARG 81 CO 0.02 0.98 -0.93 1.49 -1.07 0.00 0.00 179.97 180.46 3kz3 h GLU 82 N 0.67 0.00 -0.28 0.04 4.22 -1.15 -2.98 114.58 115.10 3kz3 h GLU 82 Ca 0.08 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.37 3kz3 h GLU 82 Cb 0.83 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3kz3 h GLU 82 CO 0.07 0.50 -0.43 0.97 -2.18 0.00 0.00 179.01 177.94 3kz3 h ILE 83 N 0.00 1.29 0.00 2.32 2.10 -0.30 -3.51 117.51 119.41 3kz3 h ILE 83 Ca -0.07 -1.62 0.00 0.00 1.08 0.00 0.00 64.86 64.25 3kz3 h ILE 83 Cb 1.53 1.54 0.00 0.00 -1.09 0.00 0.00 36.82 38.81 3kz3 h ILE 83 CO 0.07 0.52 0.00 -1.14 -1.08 0.00 0.00 178.15 176.52