#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kzq s ASN 2 N 0.00 6.16 -0.12 7.83 3.84 -1.26 -4.99 114.94 126.40 3kzq s ASN 2 Ca 0.00 -0.98 0.03 0.00 0.21 0.00 0.00 52.86 52.12 3kzq s ASN 2 Cb 0.00 -2.20 0.01 0.00 -0.55 0.00 0.00 41.25 38.50 3kzq s ASN 2 CO 0.00 -0.61 -0.22 -0.63 -2.79 0.00 0.00 177.10 172.85 3kzq s ILE 3 N 1.92 2.01 -0.01 -5.21 1.01 -1.26 -0.67 121.20 118.99 3kzq s ILE 3 Ca 0.08 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.77 3kzq s ILE 3 Cb -0.20 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.51 3kzq s ILE 3 CO 0.10 0.54 -0.01 -0.75 0.00 0.00 0.00 174.94 174.83 3kzq s LYS 4 N 0.63 0.19 -0.33 2.79 2.20 0.23 -1.04 119.74 124.42 3kzq s LYS 4 Ca -0.12 0.01 -0.11 0.00 -0.36 0.00 0.00 55.97 55.39 3kzq s LYS 4 Cb -0.16 -0.28 -0.01 0.00 -1.51 0.00 0.00 37.83 35.86 3kzq s LYS 4 CO 0.02 -0.04 0.19 -1.17 -0.36 0.00 0.00 175.35 174.00 3kzq s LEU 5 N 0.46 4.32 -0.10 5.43 2.96 0.23 0.19 118.68 132.18 3kzq s LEU 5 Ca -0.04 -0.51 -0.20 0.00 -0.22 0.00 0.00 54.13 53.16 3kzq s LEU 5 Cb -0.07 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 3kzq s LEU 5 CO -0.01 -0.22 0.57 -0.31 -1.32 0.00 0.00 176.35 175.06 3kzq s TYR 6 N 1.66 3.53 -0.34 5.38 2.02 0.62 -0.57 117.35 129.66 3kzq s TYR 6 Ca 0.05 1.03 -0.05 0.00 -0.37 0.00 0.00 57.07 57.73 3kzq s TYR 6 Cb -0.17 -2.66 0.05 0.00 -0.40 0.00 0.00 41.96 38.78 3kzq s TYR 6 CO 0.08 0.12 0.10 -0.47 -1.57 0.00 0.00 175.55 173.81 3kzq s TYR 7 N 0.75 3.30 -0.23 2.71 5.04 -0.21 -1.35 117.35 127.36 3kzq s TYR 7 Ca 0.31 -1.67 -0.09 0.00 -2.44 0.00 0.00 57.07 53.18 3kzq s TYR 7 Cb -0.16 -2.38 -0.04 0.00 0.35 0.00 0.00 41.96 39.73 3kzq s TYR 7 CO 0.13 -0.79 0.11 0.08 -1.34 0.00 0.00 175.55 173.75 3kzq s VAL 8 N 1.33 4.93 0.27 3.14 1.01 0.37 -0.87 120.40 130.58 3kzq s VAL 8 Ca -0.01 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 3kzq s VAL 8 Cb -0.20 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 3kzq s VAL 8 CO 0.01 0.37 0.46 -1.38 0.00 0.00 0.00 175.10 174.55 3kzq s HIS 9 N 1.08 0.57 -0.00 5.22 -0.00 0.20 -1.58 115.29 120.77 3kzq s HIS 9 Ca 0.06 -0.90 0.00 0.00 -0.00 0.00 0.00 55.06 54.22 3kzq s HIS 9 Cb -0.14 0.10 0.00 0.00 -0.00 0.00 0.00 32.58 32.54 3kzq s HIS 9 CO 0.04 -1.02 -0.00 0.34 -0.00 0.00 0.00 174.74 174.10 3kzq s ASP 10 N -3.08 0.12 0.54 7.38 2.15 -1.26 -0.42 116.67 122.11 3kzq s ASP 10 Ca 0.25 -0.01 0.23 0.00 0.43 0.00 0.00 52.55 53.45 3kzq s ASP 10 Cb -0.00 -0.03 1.41 0.00 -0.30 0.00 0.00 42.92 44.00 3kzq s ASP 10 CO 0.12 -0.01 2.08 -0.65 -0.17 0.00 0.00 175.17 176.53 3kzq h PRO 11 N 6.34 0.00 -0.54 4.34 0.11 -1.92 -1.66 132.00 138.68 3kzq h PRO 11 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3kzq h PRO 11 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kzq h PRO 11 CO 0.50 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.96 3kzq n MET 12 N -4.32 4.40 -3.12 1.05 2.81 -1.26 -4.58 117.12 112.10 3kzq n MET 12 Ca 0.03 -3.06 -0.42 0.00 -1.81 0.00 0.00 57.70 52.44 3kzq n MET 12 Cb 0.35 -2.13 -0.07 0.00 -0.71 0.00 0.00 33.22 30.66 3kzq n MET 12 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kzq h SER 14 N 8.45 0.00 0.23 0.00 0.02 -1.90 -1.35 113.55 119.00 3kzq h SER 14 Ca -0.26 0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 3kzq h SER 14 Cb 1.11 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 3kzq h SER 14 CO 0.83 0.01 -0.29 -0.50 -1.14 0.00 0.00 176.83 175.74 3kzq h TRP 15 N 0.26 0.11 -0.44 3.45 4.06 -1.93 0.11 115.95 121.57 3kzq h TRP 15 Ca 0.30 -0.02 -0.12 0.00 2.06 0.00 0.00 58.89 61.11 3kzq h TRP 15 Cb 0.44 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.55 3kzq h TRP 15 CO -0.24 0.38 -0.19 0.00 -3.56 0.00 0.00 178.44 174.83 3kzq h TRP 17 N 0.75 0.82 -0.95 0.00 2.91 -0.95 -0.85 115.95 117.69 3kzq h TRP 17 Ca 0.11 -0.06 0.02 0.00 1.13 0.00 0.00 58.89 60.09 3kzq h TRP 17 Cb 0.72 -0.25 -0.05 0.00 -0.51 0.00 0.00 29.16 29.08 3kzq h TRP 17 CO 0.04 0.68 0.63 0.78 -1.03 0.00 0.00 178.44 179.53 3kzq h GLY 18 N 0.73 1.35 2.00 2.65 0.00 -0.38 -2.61 103.07 106.81 3kzq h GLY 18 Ca 0.18 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 3kzq h GLY 18 CO -0.01 0.45 -0.19 -1.82 0.00 0.00 0.00 176.54 174.96 3kzq h TYR 19 N 1.24 0.00 -0.85 5.60 3.20 -0.33 -3.40 116.97 122.42 3kzq h TYR 19 Ca 0.36 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.37 3kzq h TYR 19 Cb -0.07 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 38.06 3kzq h TYR 19 CO -0.00 0.19 -0.32 1.17 -1.64 0.00 0.00 178.16 177.56 3kzq n LYS 20 N -3.23 -0.18 0.17 1.82 4.81 -0.36 -1.22 118.16 119.96 3kzq n LYS 20 Ca 0.02 1.31 0.03 0.00 -0.87 0.00 0.00 58.31 58.80 3kzq n LYS 20 Cb 0.50 -1.95 0.39 0.00 0.02 0.00 0.00 35.03 33.99 3kzq n LYS 20 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3kzq h PRO 21 N 0.00 0.08 -0.04 1.64 0.13 -1.83 -2.11 132.00 129.88 3kzq h PRO 21 Ca 0.31 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 65.31 3kzq h PRO 21 Cb 0.52 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.65 3kzq h PRO 21 CO -0.85 0.35 -0.38 1.15 -0.23 0.00 0.00 178.00 178.04 3kzq h THR 22 N 0.08 1.44 -0.77 1.56 2.02 -1.42 -2.45 112.91 113.38 3kzq h THR 22 Ca 0.01 -1.86 -0.05 0.00 0.77 0.00 0.00 66.41 65.29 3kzq h THR 22 Cb 0.52 2.46 -0.03 0.00 -1.74 0.00 0.00 68.15 69.36 3kzq h THR 22 CO 0.04 0.53 0.28 -0.29 0.37 0.00 0.00 175.52 176.45 3kzq h ILE 23 N -0.19 1.26 -0.79 3.11 6.09 -1.21 0.17 117.51 125.95 3kzq h ILE 23 Ca -0.04 -0.84 -0.02 0.00 -1.37 0.00 0.00 64.86 62.59 3kzq h ILE 23 Cb 1.07 0.36 -0.04 0.00 0.47 0.00 0.00 36.82 38.69 3kzq h ILE 23 CO 0.08 0.34 0.42 -0.33 -3.07 0.00 0.00 178.15 175.59 3kzq h GLU 24 N 1.12 1.12 -0.57 2.19 5.08 -1.46 0.19 114.58 122.25 3kzq h GLU 24 Ca 0.25 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3kzq h GLU 24 Cb 0.24 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3kzq h GLU 24 CO -0.02 0.84 0.11 -0.22 -1.00 0.00 0.00 179.01 178.73 3kzq h LYS 25 N 1.11 0.94 -0.57 2.33 3.64 -0.85 -1.03 116.57 122.13 3kzq h LYS 25 Ca 0.28 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3kzq h LYS 25 Cb 0.06 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3kzq h LYS 25 CO -0.04 0.88 0.25 1.25 -2.27 0.00 0.00 179.45 179.52 3kzq h LEU 26 N 0.84 0.77 -0.45 5.20 5.85 -0.28 -0.33 115.31 126.91 3kzq h LEU 26 Ca 0.18 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3kzq h LEU 26 Cb 0.39 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3kzq h LEU 26 CO 0.01 0.71 0.25 0.50 -0.34 0.00 0.00 178.44 179.57 3kzq h LYS 27 N 0.78 0.49 -0.92 1.25 3.64 -0.79 -0.87 116.57 120.15 3kzq h LYS 27 Ca 0.19 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.64 3kzq h LYS 27 Cb 0.17 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.81 3kzq h LYS 27 CO -0.02 0.32 0.59 1.96 -2.27 0.00 0.00 179.45 180.04 3kzq h GLN 28 N 0.50 0.91 0.00 1.90 1.08 -0.62 -3.21 115.11 115.68 3kzq h GLN 28 Ca 0.18 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3kzq h GLN 28 Cb 0.04 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.27 3kzq h GLN 28 CO -0.10 0.60 -0.56 1.04 -0.95 0.00 0.00 178.83 178.86 3kzq n GLN 29 N -4.53 0.17 -1.73 1.46 6.02 -0.18 -4.93 117.38 113.65 3kzq n GLN 29 Ca 0.16 0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.77 3kzq n GLN 29 Cb 0.29 -1.60 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 3kzq n GLN 29 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3kzq n LEU 30 N -1.85 4.20 -4.63 1.08 4.77 -0.41 -4.92 117.00 115.25 3kzq n LEU 30 Ca 0.04 1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 56.72 3kzq n LEU 30 Cb 0.40 -1.58 0.01 0.00 -2.33 0.00 0.00 43.42 39.92 3kzq n LEU 30 CO 0.36 0.16 0.63 -0.81 -1.33 0.00 0.00 177.39 176.40 3kzq n PRO 31 N 2.92 1.41 -0.00 3.23 -0.04 -1.26 -4.84 135.00 136.41 3kzq n PRO 31 Ca 0.12 0.51 0.23 0.00 -0.04 0.00 0.00 63.50 64.32 3kzq n PRO 31 Cb 0.36 -2.11 0.72 0.00 -0.04 0.00 0.00 33.50 32.42 3kzq n PRO 31 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3kzq h GLY 32 N 1.54 0.00 2.00 0.55 0.00 -1.98 -1.19 103.07 103.99 3kzq h GLY 32 Ca -0.45 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3kzq h GLY 32 CO 0.57 0.00 -0.04 -0.24 0.00 0.00 0.00 176.54 176.82 3kzq h VAL 33 N 0.00 0.16 -3.45 4.60 3.04 -1.97 -3.42 116.25 115.21 3kzq h VAL 33 Ca 0.28 -0.46 -0.60 0.00 -1.01 0.00 0.00 66.70 64.91 3kzq h VAL 33 Cb 1.39 1.39 -0.10 0.00 -2.01 0.00 0.00 31.29 31.96 3kzq h VAL 33 CO -0.00 0.04 -0.01 -0.63 -1.01 0.00 0.00 177.57 175.96 3kzq s ILE 34 N -3.87 5.09 0.22 3.17 1.01 -0.45 -4.50 121.20 121.86 3kzq s ILE 34 Ca -0.01 1.00 -0.26 0.00 0.00 0.00 0.00 60.65 61.38 3kzq s ILE 34 Cb 0.11 -3.86 -0.09 0.00 0.01 0.00 0.00 42.46 38.63 3kzq s ILE 34 CO 0.53 0.17 0.85 -1.10 0.00 0.00 0.00 174.94 175.39 3kzq s GLN 35 N 1.64 4.62 -0.15 2.79 -0.21 -0.21 -4.89 119.66 123.25 3kzq s GLN 35 Ca 0.25 1.25 -0.06 0.00 0.02 0.00 0.00 55.36 56.82 3kzq s GLN 35 Cb -0.16 -3.14 -0.04 0.00 1.00 0.00 0.00 33.01 30.68 3kzq s GLN 35 CO 0.10 0.49 0.05 0.12 -2.12 0.00 0.00 175.29 173.92 3kzq s PHE 36 N -1.28 3.25 -0.06 0.91 5.36 -1.26 0.78 117.98 125.68 3kzq s PHE 36 Ca 0.41 0.12 -0.01 0.00 -0.96 0.00 0.00 56.93 56.48 3kzq s PHE 36 Cb -0.22 -1.99 0.03 0.00 -0.34 0.00 0.00 43.02 40.50 3kzq s PHE 36 CO 0.27 0.27 0.02 -2.00 -1.46 0.00 0.00 175.22 172.32 3kzq s GLU 37 N -0.07 0.41 0.28 10.12 2.12 0.27 -4.93 118.70 126.89 3kzq s GLU 37 Ca 0.06 0.17 -0.29 0.00 0.36 0.00 0.00 54.97 55.26 3kzq s GLU 37 Cb -0.12 -0.80 -0.10 0.00 0.26 0.00 0.00 34.13 33.37 3kzq s GLU 37 CO 0.01 -0.29 1.09 0.71 -0.54 0.00 0.00 175.26 176.25 3kzq s TYR 38 N 1.90 3.59 -0.07 5.30 2.02 -1.26 -1.04 117.35 127.79 3kzq s TYR 38 Ca 0.03 1.70 0.01 0.00 -0.37 0.00 0.00 57.07 58.45 3kzq s TYR 38 Cb -0.12 -3.28 0.02 0.00 -0.40 0.00 0.00 41.96 38.18 3kzq s TYR 38 CO -0.04 -0.52 -0.07 0.08 -1.57 0.00 0.00 175.55 173.43 3kzq s VAL 39 N -1.14 0.81 0.07 0.71 1.01 -0.05 -4.91 120.40 116.90 3kzq s VAL 39 Ca 0.44 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 3kzq s VAL 39 Cb -0.32 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 3kzq s VAL 39 CO 0.41 0.30 1.09 0.68 0.00 0.00 0.00 175.10 177.57 3kzq s VAL 40 N 1.06 4.32 -0.08 2.92 -7.23 -1.26 -0.62 120.40 119.51 3kzq s VAL 40 Ca -0.08 1.74 0.21 0.00 -1.81 0.00 0.00 61.98 62.04 3kzq s VAL 40 Cb -0.14 -4.12 -0.31 0.00 0.56 0.00 0.00 36.38 32.37 3kzq s VAL 40 CO -0.01 0.18 0.47 0.61 -0.31 0.00 0.00 175.10 176.05 3kzq n GLY 41 N 2.80 -0.93 1.66 2.32 0.00 0.44 -4.01 105.19 107.47 3kzq n GLY 41 Ca 0.06 -0.49 -0.00 0.00 0.00 0.00 0.00 46.02 45.59 3kzq n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kzq n GLY 42 N 1.34 -0.57 0.32 -0.02 0.00 -1.26 -4.83 105.19 100.17 3kzq n GLY 42 Ca -0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 3kzq n GLY 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kzq h LEU 43 N 0.13 0.90 -7.26 0.99 5.85 -1.90 -3.43 115.31 110.58 3kzq h LEU 43 Ca 0.00 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.45 3kzq h LEU 43 Cb 0.60 -0.23 -0.25 0.00 0.37 0.00 0.00 40.66 41.15 3kzq h LEU 43 CO 0.03 0.84 -0.24 0.00 -0.34 0.00 0.00 178.44 178.73 3kzq s ALA 44 N -5.34 -1.07 1.08 1.25 0.00 -1.26 -4.97 121.76 111.45 3kzq s ALA 44 Ca -0.11 1.34 -0.14 0.00 0.00 0.00 0.00 51.96 53.05 3kzq s ALA 44 Cb 0.16 -0.79 0.23 0.00 0.00 0.00 0.00 23.12 22.71 3kzq s ALA 44 CO 0.82 -0.23 1.09 -1.25 0.00 0.00 0.00 175.76 176.19 3kzq s PRO 45 N 0.66 -0.23 0.13 0.00 0.04 -1.26 -0.35 135.00 133.99 3kzq s PRO 45 Ca -0.04 0.36 -0.31 0.00 0.04 0.00 0.00 61.00 61.06 3kzq s PRO 45 Cb -0.05 -1.67 -0.09 0.00 0.04 0.00 0.00 34.50 32.72 3kzq s PRO 45 CO -0.04 -3.14 1.57 -0.51 0.04 0.00 0.00 177.00 174.91 3kzq s ASP 46 N -3.49 6.62 0.11 6.66 1.01 -1.26 -4.29 116.67 122.03 3kzq s ASP 46 Ca 0.67 2.55 -0.22 0.00 0.71 0.00 0.00 52.55 56.26 3kzq s ASP 46 Cb -0.17 -2.58 0.06 0.00 1.01 0.00 0.00 42.92 41.24 3kzq s ASP 46 CO 0.58 -0.82 0.55 0.28 0.21 0.00 0.00 175.17 175.96 3kzq s THR 47 N 1.55 0.02 -0.85 -1.27 -1.32 -1.26 -5.04 115.64 107.47 3kzq s THR 47 Ca 0.70 -0.18 0.08 0.00 -1.21 0.00 0.00 61.69 61.08 3kzq s THR 47 Cb -0.42 -1.03 0.13 0.00 -1.51 0.00 0.00 72.50 69.67 3kzq s THR 47 CO 0.31 -0.10 0.94 0.59 -2.21 0.00 0.00 174.62 174.15 3kzq n ASN 48 N -0.06 2.09 -4.73 8.08 3.02 -1.26 -4.82 115.26 117.59 3kzq n ASN 48 Ca -0.17 -1.62 -0.42 0.00 -0.03 0.00 0.00 54.58 52.34 3kzq n ASN 48 Cb 0.63 -0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.70 3kzq n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kzq s LEU 49 N -0.81 4.37 0.29 3.41 1.43 -1.26 -4.98 118.68 121.14 3kzq s LEU 49 Ca 0.12 2.68 -0.30 0.00 -1.03 0.00 0.00 54.13 55.60 3kzq s LEU 49 Cb 0.07 -3.60 -0.12 0.00 0.03 0.00 0.00 46.19 42.57 3kzq s LEU 49 CO 0.11 -0.82 1.51 -0.81 0.23 0.00 0.00 176.35 176.57 3kzq n PRO 50 N 3.47 2.49 -1.66 1.29 -0.04 -1.26 -4.37 135.00 134.92 3kzq n PRO 50 Ca 0.12 0.88 -0.49 0.00 -0.04 0.00 0.00 63.50 63.97 3kzq n PRO 50 Cb 0.38 -2.61 -0.05 0.00 -0.04 0.00 0.00 33.50 31.18 3kzq n PRO 50 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 3kzq n MET 51 N 1.79 1.82 -1.67 0.54 1.56 0.32 -4.89 117.12 116.59 3kzq n MET 51 Ca 0.08 0.66 -0.38 0.00 -0.27 0.00 0.00 57.70 57.79 3kzq n MET 51 Cb 0.36 -2.42 0.05 0.00 2.15 0.00 0.00 33.22 33.36 3kzq n MET 51 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 3kzq n PRO 52 N 4.32 1.17 -0.06 2.12 -0.02 -1.26 -4.77 135.00 136.50 3kzq n PRO 52 Ca 0.20 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3kzq n PRO 52 Cb 0.25 -2.33 0.30 0.00 -0.02 0.00 0.00 33.50 31.70 3kzq n PRO 52 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3kzq h PRO 53 N 0.81 0.67 -0.10 0.52 0.14 -1.99 -1.14 132.00 130.90 3kzq h PRO 53 Ca -0.49 -0.10 -0.09 0.00 0.14 0.00 0.00 66.00 65.47 3kzq h PRO 53 Cb 1.34 -0.12 -0.01 0.00 0.14 0.00 0.00 31.00 32.35 3kzq h PRO 53 CO 0.53 0.56 -0.33 1.05 0.14 0.00 0.00 178.00 179.95 3kzq h GLU 54 N 0.66 0.20 -0.44 0.86 9.09 -2.00 -0.27 114.58 122.69 3kzq h GLU 54 Ca 0.16 -0.08 -0.11 0.00 0.05 0.00 0.00 59.36 59.38 3kzq h GLU 54 Cb 0.15 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.22 3kzq h GLU 54 CO -0.01 0.52 -0.16 1.98 0.05 0.00 0.00 179.01 181.38 3kzq h MET 55 N 0.18 0.84 -0.18 1.06 4.05 -1.70 -1.43 114.93 117.76 3kzq h MET 55 Ca 0.02 -0.31 -0.00 0.00 -0.28 0.00 0.00 59.70 59.13 3kzq h MET 55 Cb 0.68 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.42 3kzq h MET 55 CO 0.05 0.94 0.11 1.96 0.23 0.00 0.00 176.91 180.20 3kzq h GLN 56 N 0.74 0.24 -0.79 0.39 4.20 -0.63 0.38 115.11 119.65 3kzq h GLN 56 Ca 0.11 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.88 3kzq h GLN 56 Cb 0.68 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.34 3kzq h GLN 56 CO 0.05 0.19 0.45 1.96 -0.67 0.00 0.00 178.83 180.81 3kzq h GLN 57 N 0.21 0.76 -0.02 1.46 4.20 -1.06 -2.14 115.11 118.52 3kzq h GLN 57 Ca 0.06 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3kzq h GLN 57 Cb 0.01 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 3kzq h GLN 57 CO -0.01 0.50 0.00 -0.22 -0.67 0.00 0.00 178.83 178.43 3kzq h LYS 58 N 0.78 0.03 -0.66 1.46 3.64 -0.89 -0.81 116.57 120.12 3kzq h LYS 58 Ca 0.37 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.71 3kzq h LYS 58 Cb 0.29 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3kzq h LYS 58 CO -0.22 0.31 0.28 -0.07 -2.27 0.00 0.00 179.45 177.48 3kzq h LEU 59 N -0.25 0.87 -0.62 5.20 3.38 -0.78 -1.76 115.31 121.34 3kzq h LEU 59 Ca 0.01 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3kzq h LEU 59 Cb 0.30 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3kzq h LEU 59 CO 0.00 0.77 0.12 -0.08 0.09 0.00 0.00 178.44 179.33 3kzq h GLU 60 N 0.94 1.02 -0.45 1.13 4.81 -1.25 -0.64 114.58 120.13 3kzq h GLU 60 Ca 0.23 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3kzq h GLU 60 Cb 0.15 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3kzq h GLU 60 CO -0.02 0.94 0.27 0.78 -0.73 0.00 0.00 179.01 180.25 3kzq h GLY 61 N 0.93 0.64 0.93 1.92 0.00 -0.52 -1.58 103.07 105.39 3kzq h GLY 61 Ca 0.19 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 47.14 3kzq h GLY 61 CO 0.01 0.25 -0.34 -2.22 0.00 0.00 0.00 176.54 174.24 3kzq h ILE 62 N 0.62 1.32 -0.63 2.60 2.04 -0.64 -1.73 117.51 121.09 3kzq h ILE 62 Ca 0.16 -1.55 0.13 0.00 1.00 0.00 0.00 64.86 64.60 3kzq h ILE 62 Cb -0.02 1.78 -0.10 0.00 -0.74 0.00 0.00 36.82 37.74 3kzq h ILE 62 CO -0.03 0.48 0.05 -0.50 0.00 0.00 0.00 178.15 178.16 3kzq h TRP 63 N 0.32 0.06 -0.67 1.37 4.06 -0.44 -0.13 115.95 120.52 3kzq h TRP 63 Ca 0.02 0.04 -0.02 0.00 2.06 0.00 0.00 58.89 60.99 3kzq h TRP 63 Cb 0.93 0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 29.13 3kzq h TRP 63 CO 0.08 -0.13 0.35 0.87 -3.56 0.00 0.00 178.44 176.05 3kzq h LYS 64 N 0.17 0.95 -0.63 0.49 1.57 -1.13 0.41 116.57 118.40 3kzq h LYS 64 Ca 0.34 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3kzq h LYS 64 Cb 0.54 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 3kzq h LYS 64 CO -0.50 0.73 0.41 0.37 -0.57 0.00 0.00 179.45 179.89 3kzq h GLN 65 N 0.92 0.84 -0.47 3.15 4.15 -0.83 -1.63 115.11 121.24 3kzq h GLN 65 Ca 0.23 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 3kzq h GLN 65 Cb 0.08 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 3kzq h GLN 65 CO -0.03 0.57 0.12 0.82 -1.93 0.00 0.00 178.83 178.38 3kzq h ILE 66 N 0.86 1.23 -0.46 2.39 2.04 -0.51 -0.67 117.51 122.39 3kzq h ILE 66 Ca 0.23 -0.80 0.08 0.00 1.00 0.00 0.00 64.86 65.36 3kzq h ILE 66 Cb -0.08 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 3kzq h ILE 66 CO -0.05 0.29 0.09 -0.08 0.00 0.00 0.00 178.15 178.40 3kzq h GLU 67 N 0.63 0.22 -0.23 2.37 4.81 -0.68 0.85 114.58 122.55 3kzq h GLU 67 Ca 0.15 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3kzq h GLU 67 Cb 0.31 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3kzq h GLU 67 CO -0.00 0.15 0.04 1.15 -0.73 0.00 0.00 179.01 179.62 3kzq h THR 68 N 0.23 1.22 0.09 0.32 2.02 -1.09 0.32 112.91 116.02 3kzq h THR 68 Ca 0.23 -0.75 -0.26 0.00 0.77 0.00 0.00 66.41 66.40 3kzq h THR 68 Cb 0.29 1.27 0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3kzq h THR 68 CO -0.30 0.24 -1.15 -0.61 0.37 0.00 0.00 175.52 174.07 3kzq h GLN 69 N 0.19 0.34 0.00 6.66 4.15 -0.97 -3.39 115.11 122.09 3kzq h GLN 69 Ca 0.07 -0.49 0.00 0.00 0.77 0.00 0.00 58.65 59.01 3kzq h GLN 69 Cb 0.32 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.17 3kzq h GLN 69 CO 0.00 1.19 -0.23 1.28 -1.93 0.00 0.00 178.83 179.15 3kzq n LEU 70 N -3.62 0.15 0.00 -2.39 4.77 0.28 -5.00 117.00 111.19 3kzq n LEU 70 Ca -0.08 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 3kzq n LEU 70 Cb 0.96 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 3kzq n LEU 70 CO 0.53 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3kzq n GLY 71 N 1.17 0.78 3.70 -0.72 0.00 0.11 -5.02 105.19 105.21 3kzq n GLY 71 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3kzq n GLY 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kzq n THR 72 N -2.33 2.65 -3.16 2.61 -1.04 -1.25 -4.96 114.28 106.80 3kzq n THR 72 Ca 0.00 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.05 61.12 3kzq n THR 72 Cb 0.00 -1.54 -0.05 0.00 -1.82 0.00 0.00 70.33 66.92 3kzq n THR 72 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3kzq s LYS 73 N -2.25 4.37 -0.01 -2.82 1.02 -1.26 -4.43 119.74 114.36 3kzq s LYS 73 Ca 0.62 0.75 0.01 0.00 0.02 0.00 0.00 55.97 57.36 3kzq s LYS 73 Cb -0.50 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.42 3kzq s LYS 73 CO 0.57 0.23 -0.02 -0.06 -0.92 0.00 0.00 175.35 175.15 3kzq s PHE 74 N 0.26 0.27 -0.54 3.18 0.08 -1.26 -4.81 117.98 115.17 3kzq s PHE 74 Ca 0.32 -0.04 -0.19 0.00 0.12 0.00 0.00 56.93 57.15 3kzq s PHE 74 Cb -0.18 -0.21 0.08 0.00 -0.57 0.00 0.00 43.02 42.14 3kzq s PHE 74 CO 0.17 -0.02 0.63 1.21 -0.10 0.00 0.00 175.22 177.10 3kzq s ASN 75 N 0.11 6.20 0.00 1.36 3.84 0.86 -4.93 114.94 122.37 3kzq s ASN 75 Ca -0.01 -1.18 0.11 0.00 0.21 0.00 0.00 52.86 51.99 3kzq s ASN 75 Cb -0.03 -2.28 0.50 0.00 -0.55 0.00 0.00 41.25 38.88 3kzq s ASN 75 CO -0.00 -0.95 1.28 -1.22 -2.79 0.00 0.00 177.10 173.42 3kzq n TYR 76 N 6.10 0.00 0.30 0.43 4.01 -1.26 -2.53 117.16 124.21 3kzq n TYR 76 Ca -0.08 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.85 3kzq n TYR 76 Cb 0.44 -0.39 0.92 0.00 -0.31 0.00 0.00 39.34 40.01 3kzq n TYR 76 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3kzq h ASP 77 N 0.00 0.00 -0.99 7.72 3.32 -1.96 -2.68 116.42 121.83 3kzq h ASP 77 Ca 0.00 0.00 0.35 0.00 0.02 0.00 0.00 57.03 57.40 3kzq h ASP 77 Cb 0.14 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.51 3kzq h ASP 77 CO 0.00 0.01 0.31 0.15 -1.72 0.00 0.00 179.24 178.00 3kzq h PHE 78 N 0.00 0.44 0.00 4.55 3.57 -1.79 0.81 116.94 124.52 3kzq h PHE 78 Ca -0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3kzq h PHE 78 Cb 0.27 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.99 3kzq h PHE 78 CO 0.00 -0.44 0.00 0.91 -2.23 0.00 0.00 178.31 176.55 3kzq n TRP 79 N -5.35 0.63 -0.13 0.41 7.02 -1.01 -1.96 117.44 117.06 3kzq n TRP 79 Ca 0.31 0.20 -0.19 0.00 -1.02 0.00 0.00 57.50 56.79 3kzq n TRP 79 Cb 1.03 -0.82 -0.11 0.00 -2.42 0.00 0.00 31.31 28.99 3kzq n TRP 79 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3kzq n LYS 80 N -2.03 0.61 0.05 -0.99 5.02 -0.11 -4.67 118.16 116.04 3kzq n LYS 80 Ca 0.05 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3kzq n LYS 80 Cb 0.36 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.81 3kzq n LYS 80 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3kzq h LEU 81 N -0.18 0.00 -9.98 -0.35 3.38 -0.89 -3.47 115.31 103.81 3kzq h LEU 81 Ca -0.58 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 56.89 3kzq h LEU 81 Cb 1.81 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.51 3kzq h LEU 81 CO -0.15 0.58 -0.47 0.00 0.09 0.00 0.00 178.44 178.49 3kzq s THR 83 N -2.32 4.92 0.50 0.00 2.01 -1.26 -4.81 115.64 114.68 3kzq s THR 83 Ca 0.40 -2.10 -0.22 0.00 0.31 0.00 0.00 61.69 60.07 3kzq s THR 83 Cb -0.05 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.26 3kzq s THR 83 CO 0.26 -0.91 1.22 -2.84 -0.69 0.00 0.00 174.62 171.66 3kzq s PRO 84 N 0.82 3.52 -0.03 4.92 0.02 -1.26 -4.91 135.00 138.07 3kzq s PRO 84 Ca 0.11 1.90 0.01 0.00 0.02 0.00 0.00 61.00 63.03 3kzq s PRO 84 Cb -0.21 -2.32 0.02 0.00 0.02 0.00 0.00 34.50 32.02 3kzq s PRO 84 CO -0.03 -0.78 -0.02 0.08 -0.33 0.00 0.00 177.00 175.92 3kzq s VAL 85 N -1.49 0.31 -1.30 3.83 1.01 -1.26 -0.52 120.40 120.97 3kzq s VAL 85 Ca 0.67 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 62.50 3kzq s VAL 85 Cb -0.32 -0.37 0.10 0.00 0.00 0.00 0.00 36.38 35.79 3kzq s VAL 85 CO 0.38 0.17 1.77 -1.14 0.00 0.00 0.00 175.10 176.28 3kzq n ARG 86 N 4.06 3.23 -3.52 2.72 3.00 -1.26 -4.82 116.66 120.06 3kzq n ARG 86 Ca -0.26 -3.33 -0.06 0.00 -0.00 0.00 0.00 57.85 54.19 3kzq n ARG 86 Cb 0.51 -3.28 -0.08 0.00 0.00 0.00 0.00 32.46 29.61 3kzq n ARG 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3kzq s SER 87 N 3.29 -0.35 -0.00 6.15 0.15 -1.26 -4.65 113.70 117.03 3kzq s SER 87 Ca 0.48 0.85 0.06 0.00 0.70 0.00 0.00 55.95 58.05 3kzq s SER 87 Cb 0.05 1.49 -0.07 0.00 -1.71 0.00 0.00 66.02 65.78 3kzq s SER 87 CO 0.02 -0.25 0.25 0.35 1.20 0.00 0.00 173.24 174.81 3kzq n THR 88 N 5.40 0.00 -0.31 6.45 -2.24 0.52 -4.72 114.28 119.38 3kzq n THR 88 Ca -0.07 -0.33 0.01 0.00 -2.27 0.00 0.00 64.05 61.39 3kzq n THR 88 Cb 0.50 0.94 0.15 0.00 -2.10 0.00 0.00 70.33 69.82 3kzq n THR 88 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3kzq h TYR 89 N 0.00 0.97 -0.44 4.78 -1.99 -1.77 -1.22 116.97 117.30 3kzq h TYR 89 Ca 0.00 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.70 3kzq h TYR 89 Cb 0.16 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.56 3kzq h TYR 89 CO 0.00 0.48 0.04 0.37 -0.00 0.00 0.00 178.16 179.04 3kzq h GLN 90 N 0.95 0.70 0.00 4.88 5.75 -1.90 -0.18 115.11 125.32 3kzq h GLN 90 Ca 0.38 -0.16 -0.11 0.00 -0.15 0.00 0.00 58.65 58.61 3kzq h GLN 90 Cb 0.21 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 3kzq h GLN 90 CO -0.19 0.69 -0.53 0.66 -2.65 0.00 0.00 178.83 176.82 3kzq h SER 91 N 0.67 0.00 -0.51 -0.69 4.64 -1.48 -1.12 113.55 115.06 3kzq h SER 91 Ca 0.14 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.36 3kzq h SER 91 Cb 0.36 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 3kzq h SER 91 CO 0.01 0.53 -0.08 0.00 -0.87 0.00 0.00 176.83 176.42 3kzq h ARG 93 N 0.88 0.95 -0.53 0.00 3.08 -0.66 -2.28 114.38 115.82 3kzq h ARG 93 Ca 0.15 -0.37 0.04 0.00 0.07 0.00 0.00 59.98 59.86 3kzq h ARG 93 Cb 0.62 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 3kzq h ARG 93 CO 0.04 1.03 0.29 0.00 -1.07 0.00 0.00 179.97 180.26 3kzq h ALA 94 N 0.97 0.68 -0.39 0.04 0.00 -1.01 0.51 119.26 120.06 3kzq h ALA 94 Ca 0.12 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3kzq h ALA 94 Cb 0.71 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3kzq h ALA 94 CO 0.05 -0.03 -0.10 -0.39 0.00 0.00 0.00 179.25 178.78 3kzq h VAL 95 N 0.57 1.28 -0.24 0.00 -1.51 -1.18 -1.40 116.25 113.78 3kzq h VAL 95 Ca 0.22 -1.19 0.05 0.00 -1.23 0.00 0.00 66.70 64.56 3kzq h VAL 95 Cb 0.09 1.24 -0.06 0.00 -2.13 0.00 0.00 31.29 30.43 3kzq h VAL 95 CO -0.13 0.40 -0.12 0.40 -1.23 0.00 0.00 177.57 176.89 3kzq h ILE 96 N 0.56 0.63 -0.94 7.19 2.04 -1.32 -0.53 117.51 125.14 3kzq h ILE 96 Ca 0.10 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.01 3kzq h ILE 96 Cb 0.62 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 3kzq h ILE 96 CO 0.04 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.79 3kzq h ALA 97 N 1.10 1.27 -0.33 1.87 0.00 -0.77 -0.36 119.26 122.05 3kzq h ALA 97 Ca 0.13 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3kzq h ALA 97 Cb 0.28 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3kzq h ALA 97 CO -0.30 0.43 -0.12 0.00 0.00 0.00 0.00 179.25 179.26 3kzq h ALA 98 N 1.41 1.19 -0.57 0.00 0.00 -0.91 -2.23 119.26 118.16 3kzq h ALA 98 Ca 0.39 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3kzq h ALA 98 Cb 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3kzq h ALA 98 CO -0.15 0.52 0.38 0.78 0.00 0.00 0.00 179.25 180.78 3kzq h GLY 99 N 0.94 0.77 2.00 0.00 0.00 0.52 0.16 103.07 107.47 3kzq h GLY 99 Ca 0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 3kzq h GLY 99 CO 0.03 0.26 -0.01 0.74 0.00 0.00 0.00 176.54 177.55 3kzq h PHE 100 N 0.71 0.00 -0.48 5.60 0.04 -0.60 0.91 116.94 123.12 3kzq h PHE 100 Ca 0.22 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.75 3kzq h PHE 100 Cb 0.00 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.01 3kzq h PHE 100 CO -0.00 0.01 0.07 1.04 -0.60 0.00 0.00 178.31 178.83 3kzq n GLN 101 N -3.45 2.03 -1.92 1.51 6.02 -0.44 -4.95 117.38 116.17 3kzq n GLN 101 Ca -0.03 -3.14 -0.13 0.00 -0.01 0.00 0.00 57.00 53.69 3kzq n GLN 101 Cb 0.10 -1.90 -0.03 0.00 1.02 0.00 0.00 30.24 29.44 3kzq n GLN 101 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3kzq n ASP 102 N -1.07 -4.32 -1.76 1.08 8.00 0.31 -4.88 116.55 113.92 3kzq n ASP 102 Ca 0.38 0.12 -0.01 0.00 0.71 0.00 0.00 54.79 55.99 3kzq n ASP 102 Cb 1.16 -3.30 0.07 0.00 -0.02 0.00 0.00 41.12 39.02 3kzq n ASP 102 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3kzq n SER 103 N -0.39 1.87 0.23 -2.24 7.64 0.43 -4.88 113.62 116.27 3kzq n SER 103 Ca -0.15 -2.65 -0.17 0.00 1.01 0.00 0.00 58.87 56.92 3kzq n SER 103 Cb 0.55 -0.40 -0.09 0.00 -1.01 0.00 0.00 64.21 63.26 3kzq n SER 103 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3kzq h TYR 104 N 1.61 -1.29 -0.25 1.43 3.20 -1.80 -1.22 116.97 118.65 3kzq h TYR 104 Ca -0.07 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.74 3kzq h TYR 104 Cb 1.49 0.52 -0.01 0.00 1.54 0.00 0.00 36.73 40.27 3kzq h TYR 104 CO 0.48 -0.60 -0.16 0.93 -1.64 0.00 0.00 178.16 177.17 3kzq h GLU 105 N -0.86 0.44 -0.48 1.82 5.08 -1.91 0.13 114.58 118.79 3kzq h GLU 105 Ca -0.03 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.08 3kzq h GLU 105 Cb 0.79 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3kzq h GLU 105 CO -0.12 0.59 -0.15 1.96 -1.00 0.00 0.00 179.01 180.29 3kzq h GLN 106 N 0.40 0.95 -0.10 2.33 7.50 -1.88 -1.17 115.11 123.14 3kzq h GLN 106 Ca 0.07 -0.38 -0.16 0.00 0.50 0.00 0.00 58.65 58.68 3kzq h GLN 106 Cb 0.51 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.99 3kzq h GLN 106 CO 0.03 1.04 -0.64 1.98 -1.50 0.00 0.00 178.83 179.74 3kzq h MET 107 N 0.80 0.37 -0.18 1.46 4.05 -0.83 -1.40 114.93 119.20 3kzq h MET 107 Ca 0.12 -0.27 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 3kzq h MET 107 Cb 0.71 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.55 3kzq h MET 107 CO 0.05 0.89 0.12 1.25 0.23 0.00 0.00 176.91 179.45 3kzq h LEU 108 N 0.27 0.21 -0.84 3.39 5.85 -0.70 -0.33 115.31 123.16 3kzq h LEU 108 Ca -0.01 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 3kzq h LEU 108 Cb 1.18 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 3kzq h LEU 108 CO 0.11 0.16 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.11 3kzq h GLU 109 N 0.25 0.66 -0.13 1.25 4.81 -1.15 -1.37 114.58 118.91 3kzq h GLU 109 Ca 0.07 -0.24 -0.14 0.00 -0.13 0.00 0.00 59.36 58.93 3kzq h GLU 109 Cb -0.02 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3kzq h GLU 109 CO -0.01 0.80 -0.51 0.00 -0.73 0.00 0.00 179.01 178.56 3kzq h ALA 110 N 1.21 0.89 -0.17 2.92 0.00 -0.90 -0.47 119.26 122.75 3kzq h ALA 110 Ca 0.09 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3kzq h ALA 110 Cb 0.64 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kzq h ALA 110 CO 0.05 0.67 -0.07 0.82 0.00 0.00 0.00 179.25 180.72 3kzq h ILE 111 N 0.27 1.30 -0.56 0.00 2.04 -0.92 -1.05 117.51 118.59 3kzq h ILE 111 Ca 0.01 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.79 3kzq h ILE 111 Cb 0.99 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.71 3kzq h ILE 111 CO 0.08 0.32 0.37 1.56 0.00 0.00 0.00 178.15 180.49 3kzq h GLN 112 N 0.03 0.73 -0.71 2.37 4.20 -1.09 -1.37 115.11 119.28 3kzq h GLN 112 Ca 0.04 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3kzq h GLN 112 Cb 0.53 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 3kzq h GLN 112 CO 0.02 0.48 0.19 0.45 -0.67 0.00 0.00 178.83 179.31 3kzq h HIS 113 N 0.75 1.17 -0.53 2.96 3.86 -1.07 0.12 115.15 122.42 3kzq h HIS 113 Ca 0.21 -0.13 0.02 0.00 -1.16 0.00 0.00 60.37 59.31 3kzq h HIS 113 Cb -0.08 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.02 3kzq h HIS 113 CO -0.04 0.94 0.32 0.00 0.86 0.00 0.00 177.93 180.02 3kzq h ALA 114 N 1.13 0.67 0.01 2.45 0.00 -0.87 -0.26 119.26 122.39 3kzq h ALA 114 Ca 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kzq h ALA 114 Cb 0.34 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kzq h ALA 114 CO -0.00 0.04 -0.00 -0.92 0.00 0.00 0.00 179.25 178.37 3kzq h TYR 115 N 0.65 -0.01 0.00 0.00 3.20 -1.04 -0.29 116.97 119.48 3kzq h TYR 115 Ca 0.21 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3kzq h TYR 115 Cb -0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3kzq h TYR 115 CO -0.06 0.78 -1.06 0.66 -1.64 0.00 0.00 178.16 176.84 3kzq n TYR 116 N -4.71 0.26 0.00 -3.82 4.01 0.41 -4.14 117.16 109.18 3kzq n TYR 116 Ca -0.09 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3kzq n TYR 116 Cb 0.39 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 3kzq n TYR 116 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3kzq n LEU 117 N -1.97 2.78 -0.72 7.72 4.77 -0.46 -0.10 117.00 129.01 3kzq n LEU 117 Ca 0.02 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.11 3kzq n LEU 117 Cb 0.44 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.86 3kzq n LEU 117 CO 0.40 0.46 0.75 0.54 -1.33 0.00 0.00 177.39 178.22 3kzq n ARG 118 N -2.43 1.95 -3.94 3.23 1.74 -0.23 -4.59 116.66 112.38 3kzq n ARG 118 Ca 0.00 -1.43 -0.27 0.00 -0.77 0.00 0.00 57.85 55.38 3kzq n ARG 118 Cb 0.46 -1.43 -0.02 0.00 -1.02 0.00 0.00 32.46 30.46 3kzq n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kzq n ALA 119 N 0.66 -2.11 -2.50 7.54 0.00 -0.97 -4.97 120.51 118.16 3kzq n ALA 119 Ca 0.17 -0.29 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 3kzq n ALA 119 Cb 0.41 -1.83 -0.12 0.00 0.00 0.00 0.00 19.45 17.92 3kzq n ALA 119 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3kzq s MET 120 N -6.56 2.00 -0.23 0.00 1.00 -0.16 -4.74 119.30 110.61 3kzq s MET 120 Ca 0.08 -1.05 -0.29 0.00 0.00 0.00 0.00 55.69 54.44 3kzq s MET 120 Cb -0.03 -2.20 -0.00 0.00 0.00 0.00 0.00 34.83 32.59 3kzq s MET 120 CO 0.90 0.52 1.22 -1.25 0.00 0.00 0.00 175.02 176.40 3kzq s PRO 121 N -1.84 4.13 0.00 2.03 0.04 -1.26 -4.12 135.00 133.98 3kzq s PRO 121 Ca 0.17 1.43 0.27 0.00 0.04 0.00 0.00 61.00 62.91 3kzq s PRO 121 Cb -0.11 -3.78 1.19 0.00 0.04 0.00 0.00 34.50 31.85 3kzq s PRO 121 CO 0.09 -0.84 1.87 -0.35 0.04 0.00 0.00 177.00 177.81 3kzq n PRO 122 N 6.80 0.09 0.00 0.56 -0.04 -1.26 -3.13 135.00 138.02 3kzq n PRO 122 Ca 0.14 0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 3kzq n PRO 122 Cb 0.46 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.51 3kzq n PRO 122 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3kzq n HIS 123 N -1.45 0.00 -3.54 0.54 1.44 -1.26 -4.54 115.22 106.41 3kzq n HIS 123 Ca 0.08 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.41 3kzq n HIS 123 Cb 0.29 -0.03 -0.06 0.00 0.12 0.00 0.00 29.99 30.31 3kzq n HIS 123 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3kzq s GLU 124 N -2.47 3.89 0.25 -1.40 0.41 -1.18 -4.85 118.70 113.34 3kzq s GLU 124 Ca 0.20 0.34 -0.04 0.00 -0.41 0.00 0.00 54.97 55.06 3kzq s GLU 124 Cb 0.18 -3.23 0.38 0.00 -1.78 0.00 0.00 34.13 29.68 3kzq s GLU 124 CO 0.55 0.67 1.85 1.49 -0.49 0.00 0.00 175.26 179.33 3kzq h GLU 125 N 4.88 0.98 -0.40 1.61 4.81 -1.93 -1.60 114.58 122.93 3kzq h GLU 125 Ca -0.51 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.67 3kzq h GLU 125 Cb 1.22 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 3kzq h GLU 125 CO 0.62 0.65 0.27 0.00 -0.73 0.00 0.00 179.01 179.81 3kzq h ALA 126 N 1.44 1.75 0.07 2.92 0.00 -1.95 0.11 119.26 123.60 3kzq h ALA 126 Ca 0.41 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 3kzq h ALA 126 Cb 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kzq h ALA 126 CO -0.19 0.22 -0.03 1.15 0.00 0.00 0.00 179.25 180.39 3kzq h THR 127 N 0.51 1.03 -0.29 0.00 2.02 -1.57 -1.48 112.91 113.14 3kzq h THR 127 Ca 0.15 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 67.03 3kzq h THR 127 Cb -0.00 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3kzq h THR 127 CO -0.03 0.08 0.09 0.45 0.37 0.00 0.00 175.52 176.48 3kzq h HIS 128 N -0.24 0.16 -0.57 3.16 3.86 -0.94 0.57 115.15 121.15 3kzq h HIS 128 Ca -0.01 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 3kzq h HIS 128 Cb 0.21 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 3kzq h HIS 128 CO -0.02 0.07 0.11 -0.07 0.86 0.00 0.00 177.93 178.87 3kzq h LEU 129 N 0.21 0.85 -0.47 2.43 3.38 -0.81 0.11 115.31 121.01 3kzq h LEU 129 Ca 0.13 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3kzq h LEU 129 Cb 0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3kzq h LEU 129 CO -0.14 0.85 0.06 -0.61 0.09 0.00 0.00 178.44 178.69 3kzq h GLN 130 N 0.86 0.78 -0.58 1.13 4.15 -0.60 -1.65 115.11 119.20 3kzq h GLN 130 Ca 0.18 -0.22 -0.09 0.00 0.77 0.00 0.00 58.65 59.29 3kzq h GLN 130 Cb 0.36 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 3kzq h GLN 130 CO 0.01 0.80 0.01 -0.07 -1.93 0.00 0.00 178.83 177.65 3kzq h LEU 131 N 0.65 0.97 -0.53 -2.39 3.38 -0.47 -1.27 115.31 115.65 3kzq h LEU 131 Ca 0.14 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.90 3kzq h LEU 131 Cb 0.41 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3kzq h LEU 131 CO 0.01 1.02 0.26 0.00 0.09 0.00 0.00 178.44 179.82 3kzq h ALA 132 N 1.08 0.69 -0.29 1.53 0.00 -0.62 0.14 119.26 121.78 3kzq h ALA 132 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kzq h ALA 132 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3kzq h ALA 132 CO 0.03 -0.10 0.15 -0.22 0.00 0.00 0.00 179.25 179.10 3kzq h LYS 133 N 0.49 0.42 -0.08 0.00 3.64 -1.06 -1.32 116.57 118.66 3kzq h LYS 133 Ca 0.24 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 3kzq h LYS 133 Cb 0.18 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3kzq h LYS 133 CO -0.19 0.39 -0.32 0.93 -2.27 0.00 0.00 179.45 177.99 3kzq h GLU 134 N 0.34 0.16 -0.00 1.90 5.08 -0.83 -2.31 114.58 118.92 3kzq h GLU 134 Ca 0.10 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3kzq h GLU 134 Cb 0.11 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3kzq h GLU 134 CO -0.01 0.47 -0.03 -0.89 -1.00 0.00 0.00 179.01 177.54 3kzq n ILE 135 N -4.12 0.00 -0.95 3.13 -0.00 0.45 -4.93 119.36 112.94 3kzq n ILE 135 Ca -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.72 3kzq n ILE 135 Cb 0.40 -0.39 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 3kzq n ILE 135 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3kzq n GLY 136 N 1.26 0.41 3.67 7.39 0.00 -0.87 -5.07 105.19 111.99 3kzq n GLY 136 Ca 0.15 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 3kzq n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kzq s LEU 137 N 0.00 1.84 -0.50 0.99 1.43 -0.53 -4.98 118.68 116.92 3kzq s LEU 137 Ca 0.00 1.38 -0.29 0.00 -1.03 0.00 0.00 54.13 54.20 3kzq s LEU 137 Cb 0.00 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.60 3kzq s LEU 137 CO 0.00 -3.04 1.19 0.21 0.23 0.00 0.00 176.35 174.94 3kzq s ASN 138 N -3.32 6.53 0.14 2.29 3.84 -1.26 -4.79 114.94 118.37 3kzq s ASN 138 Ca 0.65 0.39 -0.13 0.00 0.21 0.00 0.00 52.86 53.98 3kzq s ASN 138 Cb -0.19 -2.55 -0.01 0.00 -0.55 0.00 0.00 41.25 37.95 3kzq s ASN 138 CO 0.58 -1.36 1.57 0.58 -2.79 0.00 0.00 177.10 175.68 3kzq h VAL 139 N 6.25 1.27 -0.09 -5.21 2.07 -1.94 -1.01 116.25 117.58 3kzq h VAL 139 Ca -0.24 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 66.21 3kzq h VAL 139 Cb 1.06 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 3kzq h VAL 139 CO 1.14 0.38 -0.23 -0.61 0.02 0.00 0.00 177.57 178.27 3kzq h GLN 140 N 0.65 -0.30 -0.44 1.57 5.75 -1.99 0.84 115.11 121.18 3kzq h GLN 140 Ca 0.12 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 3kzq h GLN 140 Cb 0.55 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.15 3kzq h GLN 140 CO 0.03 -0.20 0.22 0.37 -2.65 0.00 0.00 178.83 176.60 3kzq h GLN 141 N -0.31 0.63 -0.35 1.69 4.15 -1.95 -1.11 115.11 117.86 3kzq h GLN 141 Ca 0.09 -0.09 0.06 0.00 0.77 0.00 0.00 58.65 59.48 3kzq h GLN 141 Cb 0.44 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.97 3kzq h GLN 141 CO -0.27 0.53 0.03 0.35 -1.93 0.00 0.00 178.83 177.54 3kzq h PHE 142 N 0.57 0.04 -0.58 3.99 3.57 -0.98 0.64 116.94 124.19 3kzq h PHE 142 Ca 0.15 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3kzq h PHE 142 Cb 0.10 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3kzq h PHE 142 CO -0.01 -0.03 0.33 -0.22 -2.23 0.00 0.00 178.31 176.14 3kzq h LYS 143 N 0.13 0.81 -0.74 1.11 1.63 -0.56 -1.26 116.57 117.69 3kzq h LYS 143 Ca 0.17 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 3kzq h LYS 143 Cb 0.21 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 3kzq h LYS 143 CO -0.25 0.61 0.40 -0.91 -3.45 0.00 0.00 179.45 175.85 3kzq h ASN 144 N 0.79 0.93 0.54 4.20 2.35 -0.77 -2.73 115.58 120.89 3kzq h ASN 144 Ca 0.21 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 3kzq h ASN 144 Cb 0.03 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.17 3kzq h ASN 144 CO -0.03 0.76 -0.26 0.44 -1.65 0.00 0.00 177.43 176.69 3kzq h ASP 145 N 1.02 -0.61 -0.82 5.81 3.32 -0.48 -2.29 116.42 122.37 3kzq h ASP 145 Ca 0.26 0.00 0.18 0.00 0.02 0.00 0.00 57.03 57.49 3kzq h ASP 145 Cb 0.05 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.70 3kzq h ASP 145 CO -0.04 -0.41 0.55 0.24 -1.72 0.00 0.00 179.24 177.86 3kzq h MET 146 N -0.77 0.34 -0.11 3.56 2.86 -1.20 0.30 114.93 119.92 3kzq h MET 146 Ca -0.07 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3kzq h MET 146 Cb 0.57 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3kzq h MET 146 CO 0.12 0.22 0.00 -3.47 1.06 0.00 0.00 176.91 174.84 3kzq n ASP 147 N -4.47 1.92 -4.92 1.22 2.03 -1.03 -4.86 116.55 106.43 3kzq n ASP 147 Ca 0.17 -1.68 -0.26 0.00 0.52 0.00 0.00 54.79 53.54 3kzq n ASP 147 Cb 0.65 -0.06 0.01 0.00 -0.72 0.00 0.00 41.12 40.99 3kzq n ASP 147 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3kzq s GLY 148 N -1.79 1.51 0.10 0.27 0.00 0.11 -5.02 107.32 102.49 3kzq s GLY 148 Ca 0.35 -0.72 -0.14 0.00 0.00 0.00 0.00 44.72 44.21 3kzq s GLY 148 CO 0.30 -0.54 1.38 -0.84 0.00 0.00 0.00 173.10 173.41 3kzq h THR 149 N 0.23 1.30 -0.71 0.90 2.02 -1.90 -2.95 112.91 111.81 3kzq h THR 149 Ca -0.47 -1.62 0.10 0.00 0.77 0.00 0.00 66.41 65.19 3kzq h THR 149 Cb 1.23 1.71 -0.08 0.00 -1.74 0.00 0.00 68.15 69.27 3kzq h THR 149 CO 0.60 0.52 0.33 0.25 0.37 0.00 0.00 175.52 177.59 3kzq h LEU 150 N 0.48 0.40 -0.67 2.58 5.85 -1.95 -2.28 115.31 119.71 3kzq h LEU 150 Ca 0.02 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3kzq h LEU 150 Cb 1.02 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 3kzq h LEU 150 CO 0.10 0.22 0.16 0.25 -0.34 0.00 0.00 178.44 178.83 3kzq h LEU 151 N 0.55 1.01 -0.36 2.25 6.46 -1.77 0.13 115.31 123.58 3kzq h LEU 151 Ca 0.36 -0.23 0.01 0.00 -0.12 0.00 0.00 57.88 57.90 3kzq h LEU 151 Cb 0.42 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 3kzq h LEU 151 CO -0.30 0.98 0.21 -0.08 -0.62 0.00 0.00 178.44 178.64 3kzq h GLU 152 N 1.00 0.42 -0.91 1.25 4.57 -1.31 0.73 114.58 120.32 3kzq h GLU 152 Ca 0.21 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.38 3kzq h GLU 152 Cb 0.36 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.81 3kzq h GLU 152 CO 0.00 0.28 0.60 0.78 -1.18 0.00 0.00 179.01 179.49 3kzq h GLY 153 N 0.43 1.29 1.09 1.92 0.00 -1.14 0.10 103.07 106.75 3kzq h GLY 153 Ca 0.14 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 3kzq h GLY 153 CO -0.06 0.46 0.03 -2.08 0.00 0.00 0.00 176.54 174.89 3kzq h VAL 154 N 1.23 1.27 -0.17 4.60 2.07 0.06 -1.55 116.25 123.75 3kzq h VAL 154 Ca 0.34 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 3kzq h VAL 154 Cb -0.13 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3kzq h VAL 154 CO -0.08 0.42 -0.12 0.15 0.02 0.00 0.00 177.57 177.96 3kzq h PHE 155 N 1.01 0.44 -0.96 1.57 3.57 -0.62 -1.99 116.94 119.96 3kzq h PHE 155 Ca 0.18 -0.12 0.06 0.00 3.53 0.00 0.00 57.97 61.63 3kzq h PHE 155 Cb 0.53 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 3kzq h PHE 155 CO 0.04 0.72 0.62 1.96 -2.23 0.00 0.00 178.31 179.42 3kzq h GLN 156 N 0.04 1.08 -0.38 1.11 1.08 -0.75 -1.16 115.11 116.13 3kzq h GLN 156 Ca 0.03 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.07 3kzq h GLN 156 Cb 0.62 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 3kzq h GLN 156 CO 0.03 0.72 -0.17 0.22 -0.95 0.00 0.00 178.83 178.68 3kzq h ASP 157 N 1.11 0.71 -0.33 1.46 3.58 -1.18 -2.44 116.42 119.34 3kzq h ASP 157 Ca 0.41 -0.23 0.02 0.00 0.42 0.00 0.00 57.03 57.65 3kzq h ASP 157 Cb 0.17 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 3kzq h ASP 157 CO -0.16 0.89 0.18 1.56 -2.88 0.00 0.00 179.24 178.83 3kzq h GLN 158 N 0.64 0.36 -0.49 0.28 1.08 -0.47 0.17 115.11 116.68 3kzq h GLN 158 Ca 0.10 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.24 3kzq h GLN 158 Cb 0.64 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 3kzq h GLN 158 CO 0.05 0.24 0.16 -0.07 -0.95 0.00 0.00 178.83 178.25 3kzq h LEU 159 N 0.37 0.71 -0.92 1.46 3.38 -1.14 -0.82 115.31 118.35 3kzq h LEU 159 Ca 0.13 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3kzq h LEU 159 Cb 0.02 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3kzq h LEU 159 CO -0.08 0.73 -0.12 0.28 0.09 0.00 0.00 178.44 179.34 3kzq h SER 160 N 0.66 0.65 -0.29 -0.43 0.02 -1.33 -2.75 113.55 110.08 3kzq h SER 160 Ca 0.16 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3kzq h SER 160 Cb 0.27 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 3kzq h SER 160 CO -0.01 0.79 0.03 0.25 -1.14 0.00 0.00 176.83 176.76 3kzq h LEU 161 N 0.60 0.48 -0.69 5.07 5.85 -0.20 0.82 115.31 127.24 3kzq h LEU 161 Ca 0.11 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.63 3kzq h LEU 161 Cb 0.55 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 3kzq h LEU 161 CO 0.03 0.64 0.35 0.00 -0.34 0.00 0.00 178.44 179.12 3kzq h ALA 162 N 0.86 0.94 -0.20 1.25 0.00 -1.06 -0.52 119.26 120.53 3kzq h ALA 162 Ca 0.09 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kzq h ALA 162 Cb 0.38 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kzq h ALA 162 CO 0.01 -0.04 0.08 0.87 0.00 0.00 0.00 179.25 180.17 3kzq h LYS 163 N 0.60 0.30 -0.91 0.00 1.79 -1.23 -2.49 116.57 114.63 3kzq h LYS 163 Ca 0.33 -0.06 0.25 0.00 -2.18 0.00 0.00 60.65 58.99 3kzq h LYS 163 Cb 0.32 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.88 3kzq h LYS 163 CO -0.25 0.37 0.64 0.77 -1.08 0.00 0.00 179.45 179.89 3kzq h SER 164 N 0.17 0.13 -0.12 0.86 0.02 -0.16 -0.14 113.55 114.31 3kzq h SER 164 Ca 0.07 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3kzq h SER 164 Cb 0.18 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3kzq h SER 164 CO -0.01 0.05 0.00 0.18 -1.14 0.00 0.00 176.83 175.91 3kzq n LEU 165 N -4.35 1.10 0.00 5.07 4.77 -0.27 -4.88 117.00 118.44 3kzq n LEU 165 Ca 0.19 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 3kzq n LEU 165 Cb 0.89 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 3kzq n LEU 165 CO 0.36 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3kzq n GLY 166 N 0.99 0.52 3.74 -0.72 0.00 -0.07 -4.98 105.19 104.68 3kzq n GLY 166 Ca 0.14 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 3kzq n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kzq s VAL 167 N -2.00 5.40 0.00 1.61 1.01 -0.97 -4.93 120.40 120.51 3kzq s VAL 167 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3kzq s VAL 167 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.89 3kzq s VAL 167 CO 0.00 0.45 0.52 -0.46 0.00 0.00 0.00 175.10 175.60 3kzq n ASN 168 N 3.41 0.86 -3.67 3.32 0.23 -1.26 -4.37 115.26 113.78 3kzq n ASN 168 Ca -0.16 -1.26 -0.10 0.00 -0.53 0.00 0.00 54.58 52.53 3kzq n ASN 168 Cb 0.52 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.17 3kzq n ASN 168 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3kzq s SER 169 N -0.26 -0.19 0.01 0.53 1.04 -1.26 -5.17 113.70 108.40 3kzq s SER 169 Ca 0.00 -0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.12 3kzq s SER 169 Cb 0.00 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 3kzq s SER 169 CO 0.00 -0.84 -0.18 -0.31 0.98 0.00 0.00 173.24 172.89 3kzq s TYR 170 N -3.81 1.57 0.48 5.02 1.51 -1.26 -3.87 117.35 116.98 3kzq s TYR 170 Ca 0.03 -0.33 -0.20 0.00 -1.01 0.00 0.00 57.07 55.56 3kzq s TYR 170 Cb 0.02 -0.98 -0.08 0.00 -0.11 0.00 0.00 41.96 40.81 3kzq s TYR 170 CO -0.12 0.02 1.04 -1.25 -1.11 0.00 0.00 175.55 174.14 3kzq s PRO 171 N -0.76 3.82 0.11 -1.71 0.04 -1.26 -4.65 135.00 130.58 3kzq s PRO 171 Ca 0.06 1.38 0.02 0.00 0.04 0.00 0.00 61.00 62.50 3kzq s PRO 171 Cb -0.07 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 3kzq s PRO 171 CO 0.00 -0.42 -0.08 -1.12 0.04 0.00 0.00 177.00 175.43 3kzq s SER 172 N -1.95 1.28 -0.04 6.66 0.01 -0.62 -4.92 113.70 114.12 3kzq s SER 172 Ca 0.67 -0.98 0.05 0.00 1.31 0.00 0.00 55.95 57.00 3kzq s SER 172 Cb -0.17 0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 3kzq s SER 172 CO 0.20 -0.41 -0.19 -0.76 0.41 0.00 0.00 173.24 172.49 3kzq s LEU 173 N -2.97 1.98 -0.06 2.44 1.43 -1.25 -0.48 118.68 119.77 3kzq s LEU 173 Ca 0.11 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 3kzq s LEU 173 Cb 0.04 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.22 3kzq s LEU 173 CO -0.03 0.19 -0.09 -0.69 0.23 0.00 0.00 176.35 175.96 3kzq s VAL 174 N -0.14 0.92 -0.29 -1.59 1.01 -0.45 -0.59 120.40 119.27 3kzq s VAL 174 Ca -0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 3kzq s VAL 174 Cb -0.11 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 3kzq s VAL 174 CO 0.02 0.31 0.15 -0.22 0.00 0.00 0.00 175.10 175.36 3kzq s LEU 175 N 0.84 3.95 -0.18 3.92 2.96 0.49 -0.27 118.68 130.40 3kzq s LEU 175 Ca -0.12 -0.25 -0.14 0.00 -0.22 0.00 0.00 54.13 53.40 3kzq s LEU 175 Cb -0.15 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 3kzq s LEU 175 CO 0.02 -0.11 0.30 -1.58 -1.32 0.00 0.00 176.35 173.66 3kzq s GLN 176 N 1.68 4.22 -0.27 1.98 0.74 0.13 -1.06 119.66 127.09 3kzq s GLN 176 Ca 0.06 0.08 0.03 0.00 0.05 0.00 0.00 55.36 55.58 3kzq s GLN 176 Cb -0.16 -3.46 0.06 0.00 1.10 0.00 0.00 33.01 30.55 3kzq s GLN 176 CO 0.08 0.15 -0.09 0.42 -0.55 0.00 0.00 175.29 175.30 3kzq s ILE 177 N 0.73 2.14 0.00 -2.34 1.01 -0.31 -0.60 121.20 121.83 3kzq s ILE 177 Ca 0.16 -1.68 0.00 0.00 0.00 0.00 0.00 60.65 59.13 3kzq s ILE 177 Cb -0.13 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.05 3kzq s ILE 177 CO 0.05 -0.09 0.00 0.59 0.00 0.00 0.00 174.94 175.48 3kzq n ASN 178 N 4.43 0.00 -0.98 3.58 5.03 0.16 -0.89 115.26 126.59 3kzq n ASN 178 Ca -0.12 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.45 3kzq n ASN 178 Cb 0.42 0.00 0.12 0.00 -1.02 0.00 0.00 39.78 39.30 3kzq n ASN 178 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3kzq n ASP 179 N 5.34 3.05 -4.75 6.41 8.00 -1.26 -4.93 116.55 128.41 3kzq n ASP 179 Ca 0.00 -1.98 -0.30 0.00 0.71 0.00 0.00 54.79 53.22 3kzq n ASP 179 Cb 0.00 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 40.98 3kzq n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kzq s ALA 180 N -1.84 3.48 0.02 2.24 0.00 -0.07 -5.12 121.76 120.46 3kzq s ALA 180 Ca 0.29 -1.04 0.07 0.00 0.00 0.00 0.00 51.96 51.28 3kzq s ALA 180 Cb 0.20 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 3kzq s ALA 180 CO 0.30 0.73 -0.20 0.71 0.00 0.00 0.00 175.76 177.29 3kzq s TYR 181 N -1.35 1.80 -0.09 0.00 2.02 -1.26 -1.16 117.35 117.31 3kzq s TYR 181 Ca 0.28 -0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 56.59 3kzq s TYR 181 Cb -0.12 -1.11 0.04 0.00 -0.40 0.00 0.00 41.96 40.37 3kzq s TYR 181 CO 0.20 0.04 0.05 -0.06 -1.57 0.00 0.00 175.55 174.21 3kzq s PHE 182 N -0.66 0.34 0.22 2.71 0.08 -0.22 -4.96 117.98 115.50 3kzq s PHE 182 Ca 0.07 -0.07 -0.31 0.00 0.12 0.00 0.00 56.93 56.75 3kzq s PHE 182 Cb -0.08 -0.66 -0.15 0.00 -0.57 0.00 0.00 43.02 41.56 3kzq s PHE 182 CO 0.01 -0.33 1.14 -2.30 -0.10 0.00 0.00 175.22 173.64 3kzq n PRO 183 N 5.23 1.33 -4.41 0.24 -0.02 -1.26 -0.38 135.00 135.74 3kzq n PRO 183 Ca -0.05 0.47 -0.32 0.00 -2.02 0.00 0.00 63.50 61.58 3kzq n PRO 183 Cb 0.50 -1.95 -0.16 0.00 -0.02 0.00 0.00 33.50 31.87 3kzq n PRO 183 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kzq s ILE 184 N -0.46 1.98 0.27 4.25 -1.09 0.25 -4.83 121.20 121.56 3kzq s ILE 184 Ca 0.68 -0.91 -0.30 0.00 -2.23 0.00 0.00 60.65 57.88 3kzq s ILE 184 Cb -0.78 -1.77 -0.13 0.00 -1.58 0.00 0.00 42.46 38.20 3kzq s ILE 184 CO 0.54 0.53 1.36 1.21 -1.23 0.00 0.00 174.94 177.35 3kzq n GLU 185 N 4.33 2.02 -2.79 2.79 2.13 -1.26 -3.92 120.64 123.95 3kzq n GLU 185 Ca -0.20 0.72 -0.41 0.00 0.66 0.00 0.00 57.16 57.93 3kzq n GLU 185 Cb 0.51 -2.34 -0.05 0.00 0.27 0.00 0.00 31.44 29.83 3kzq n GLU 185 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3kzq s VAL 186 N -0.36 4.43 -0.27 6.31 1.01 -1.26 -4.85 120.40 125.41 3kzq s VAL 186 Ca 0.65 1.99 -0.02 0.00 0.00 0.00 0.00 61.98 64.60 3kzq s VAL 186 Cb -0.63 -4.28 0.04 0.00 0.00 0.00 0.00 36.38 31.50 3kzq s VAL 186 CO 0.53 0.38 -0.03 -0.62 0.00 0.00 0.00 175.10 175.36 3kzq s ASP 187 N -0.34 4.61 0.47 3.32 -1.08 -1.26 -5.01 116.67 117.37 3kzq s ASP 187 Ca 0.44 -1.06 0.24 0.00 -0.52 0.00 0.00 52.55 51.65 3kzq s ASP 187 Cb -0.23 -1.69 1.13 0.00 -1.46 0.00 0.00 42.92 40.66 3kzq s ASP 187 CO 0.29 -0.19 1.93 1.88 0.52 0.00 0.00 175.17 179.60 3kzq h TYR 188 N 8.01 0.00 0.00 -5.34 -1.99 -1.97 -3.28 116.97 112.40 3kzq h TYR 188 Ca -0.27 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.46 3kzq h TYR 188 Cb 1.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.82 3kzq h TYR 188 CO 0.60 0.20 -1.57 1.28 -0.00 0.00 0.00 178.16 178.67 3kzq n LEU 189 N -3.56 0.11 -3.84 3.88 4.77 -1.26 -4.60 117.00 112.49 3kzq n LEU 189 Ca -0.01 -0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 55.78 3kzq n LEU 189 Cb 0.35 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.32 3kzq n LEU 189 CO 0.32 0.03 -0.19 -0.55 -1.33 0.00 0.00 177.39 175.67 3kzq s SER 190 N -3.60 -0.09 0.19 -1.43 0.15 -1.24 -4.98 113.70 102.70 3kzq s SER 190 Ca -0.04 0.12 0.15 0.00 0.70 0.00 0.00 55.95 56.88 3kzq s SER 190 Cb 0.10 0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 64.66 3kzq s SER 190 CO 0.65 -0.16 1.21 0.71 1.20 0.00 0.00 173.24 176.84 3kzq h THR 191 N 4.69 0.78 -0.04 6.45 1.35 -1.89 -3.41 112.91 120.83 3kzq h THR 191 Ca -0.27 -2.20 0.03 0.00 -0.55 0.00 0.00 66.41 63.42 3kzq h THR 191 Cb 1.20 2.30 -0.04 0.00 -1.73 0.00 0.00 68.15 69.88 3kzq h THR 191 CO 0.41 0.44 -0.19 -0.33 -0.25 0.00 0.00 175.52 175.60 3kzq h GLU 192 N 0.00 -0.28 -0.19 4.72 4.39 -1.97 -1.04 114.58 120.21 3kzq h GLU 192 Ca -0.06 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.67 3kzq h GLU 192 Cb 1.48 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.18 3kzq h GLU 192 CO 0.06 -0.19 0.13 -1.00 -1.16 0.00 0.00 179.01 176.86 3kzq h PRO 193 N -0.29 0.20 -0.11 2.33 0.13 -2.00 -0.65 132.00 131.62 3kzq h PRO 193 Ca 0.07 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.12 3kzq h PRO 193 Cb 0.39 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.47 3kzq h PRO 193 CO -0.21 0.13 -0.20 1.15 -0.23 0.00 0.00 178.00 178.64 3kzq h THR 194 N 0.21 1.38 -0.95 1.56 2.02 -1.55 0.31 112.91 115.88 3kzq h THR 194 Ca 0.08 -1.47 0.02 0.00 0.77 0.00 0.00 66.41 65.81 3kzq h THR 194 Cb 0.06 2.07 -0.05 0.00 -1.74 0.00 0.00 68.15 68.49 3kzq h THR 194 CO -0.01 0.42 0.63 -0.07 0.37 0.00 0.00 175.52 176.86 3kzq h LEU 195 N -0.10 1.07 -0.55 2.58 3.38 -0.97 -1.34 115.31 119.37 3kzq h LEU 195 Ca 0.01 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3kzq h LEU 195 Cb 0.78 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3kzq h LEU 195 CO 0.04 0.76 0.35 0.50 0.09 0.00 0.00 178.44 180.18 3kzq h LYS 196 N 1.25 0.69 -0.51 1.13 3.64 -0.73 -0.57 116.57 121.47 3kzq h LYS 196 Ca 0.36 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 3kzq h LYS 196 Cb -0.08 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 3kzq h LYS 196 CO -0.09 0.46 0.28 -0.07 -2.27 0.00 0.00 179.45 177.75 3kzq h LEU 197 N 0.72 0.64 0.09 5.20 3.38 -0.41 -0.39 115.31 124.53 3kzq h LEU 197 Ca 0.21 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kzq h LEU 197 Cb -0.05 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3kzq h LEU 197 CO -0.06 0.55 -0.04 0.40 0.09 0.00 0.00 178.44 179.38 3kzq h ILE 198 N 0.68 1.05 -0.53 1.22 2.04 -1.00 -0.34 117.51 120.62 3kzq h ILE 198 Ca 0.18 -0.52 0.09 0.00 1.00 0.00 0.00 64.86 65.61 3kzq h ILE 198 Cb 0.06 1.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 3kzq h ILE 198 CO -0.03 0.13 0.12 0.03 0.00 0.00 0.00 178.15 178.40 3kzq h ARG 199 N -0.36 0.26 -0.78 2.37 3.08 -1.05 -1.07 114.38 116.83 3kzq h ARG 199 Ca -0.01 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3kzq h ARG 199 Cb 0.30 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3kzq h ARG 199 CO 0.02 0.17 0.31 0.93 -1.07 0.00 0.00 179.97 180.33 3kzq h GLU 200 N 0.27 1.17 -0.67 0.04 5.08 -0.75 -1.77 114.58 117.94 3kzq h GLU 200 Ca 0.27 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3kzq h GLU 200 Cb 0.37 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3kzq h GLU 200 CO -0.34 0.95 0.34 0.00 -1.00 0.00 0.00 179.01 178.96 3kzq h ARG 201 N 1.14 0.95 0.20 2.33 2.47 -0.56 -0.91 114.38 120.01 3kzq h ARG 201 Ca 0.26 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 3kzq h ARG 201 Cb 0.22 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 3kzq h ARG 201 CO -0.02 0.74 -0.10 0.82 0.56 0.00 0.00 179.97 181.97 3kzq h ILE 202 N 0.92 0.83 -0.68 2.04 2.04 -0.79 -2.80 117.51 119.06 3kzq h ILE 202 Ca 0.23 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.98 3kzq h ILE 202 Cb 0.09 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3kzq h ILE 202 CO -0.03 0.03 0.43 0.40 0.00 0.00 0.00 178.15 178.98 3kzq h ILE 203 N -0.34 1.12 -0.03 -0.67 1.08 -1.17 -1.89 117.51 115.62 3kzq h ILE 203 Ca -0.03 -0.30 0.01 0.00 -0.39 0.00 0.00 64.86 64.15 3kzq h ILE 203 Cb 0.26 0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 34.19 3kzq h ILE 203 CO 0.05 0.16 0.03 -0.33 -0.69 0.00 0.00 178.15 177.36 3kzq h GLU 204 N 0.86 0.00 -2.21 2.37 5.08 -1.09 -3.31 114.58 116.28 3kzq h GLU 204 Ca 0.27 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.94 3kzq h GLU 204 Cb -0.02 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 28.88 3kzq h GLU 204 CO -0.09 0.00 0.10 0.09 -1.00 0.00 0.00 179.01 178.11 3kzq n ASN 205 N -3.97 5.80 0.00 1.42 3.02 -0.71 -5.10 115.26 115.72 3kzq n ASN 205 Ca -0.02 -3.70 0.00 0.00 -0.03 0.00 0.00 54.58 50.83 3kzq n ASN 205 Cb 0.12 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.47 3kzq n ASN 205 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79