#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cza n ASP 17 N 0.00 0.00 -0.23 -2.24 4.64 -1.26 -1.21 116.55 116.26 1cza n ASP 17 Ca 0.00 0.87 -0.13 0.00 -1.38 0.00 0.00 54.79 54.16 1cza n ASP 17 Cb 0.00 -0.37 -0.10 0.00 -1.04 0.00 0.00 41.12 39.61 1cza n ASP 17 CO 0.00 0.00 0.00 1.56 -0.82 0.00 0.00 177.20 177.94 1cza h GLN 18 N 0.00 -0.26 -0.73 -0.67 1.08 -2.01 0.83 115.11 113.35 1cza h GLN 18 Ca 0.00 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.29 1cza h GLN 18 Cb 0.00 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.43 1cza h GLN 18 CO 0.00 -0.17 0.41 0.28 -0.95 0.00 0.00 178.83 178.40 1cza h VAL 19 N -0.27 0.95 -0.58 -0.54 2.07 -1.95 0.40 116.25 116.34 1cza h VAL 19 Ca 0.10 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1cza h VAL 19 Cb 0.53 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1cza h VAL 19 CO -0.70 0.13 0.33 0.11 0.02 0.00 0.00 177.57 177.47 1cza h LYS 20 N 0.73 0.63 -0.49 1.57 1.57 -0.03 0.28 116.57 120.83 1cza h LYS 20 Ca 0.34 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.97 1cza h LYS 20 Cb 0.25 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1cza h LYS 20 CO -0.21 0.42 -0.12 0.87 -0.57 0.00 0.00 179.45 179.83 1cza h LYS 21 N 0.65 0.96 -0.84 3.15 1.79 0.25 -1.48 116.57 121.04 1cza h LYS 21 Ca 0.24 -0.37 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 1cza h LYS 21 Cb 0.08 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.63 1cza h LYS 21 CO -0.13 1.03 0.49 0.82 -1.08 0.00 0.00 179.45 180.59 1cza h ILE 22 N 0.81 1.24 -0.99 1.86 1.08 0.33 0.99 117.51 122.83 1cza h ILE 22 Ca 0.12 -0.56 0.06 0.00 -0.39 0.00 0.00 64.86 64.10 1cza h ILE 22 Cb 0.68 0.08 -0.06 0.00 -3.07 0.00 0.00 36.82 34.45 1cza h ILE 22 CO 0.05 0.26 0.64 0.44 -0.69 0.00 0.00 178.15 178.85 1cza h ASP 23 N 1.17 1.03 -0.10 1.72 3.32 -0.13 -0.11 116.42 123.32 1cza h ASP 23 Ca 0.30 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.23 1cza h ASP 23 Cb -0.01 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.33 1cza h ASP 23 CO -0.05 0.67 -0.45 0.11 -1.72 0.00 0.00 179.24 177.80 1cza h LYS 24 N 1.18 0.48 -0.85 3.56 1.57 -0.21 -1.00 116.57 121.29 1cza h LYS 24 Ca 0.42 -0.38 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1cza h LYS 24 Cb 0.14 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 1cza h LYS 24 CO -0.16 1.01 0.54 -0.92 -0.57 0.00 0.00 179.45 179.35 1cza h TYR 25 N 0.05 1.00 -0.59 -1.35 3.20 -0.13 -2.38 116.97 116.77 1cza h TYR 25 Ca -0.03 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 61.62 1cza h TYR 25 Cb 1.09 -0.33 -0.15 0.00 1.54 0.00 0.00 36.73 38.89 1cza h TYR 25 CO 0.12 0.54 0.20 1.28 -1.64 0.00 0.00 178.16 178.65 1cza n LEU 26 N -4.59 5.21 -0.33 2.82 4.77 -0.12 -4.72 117.00 120.03 1cza n LEU 26 Ca 0.11 -3.50 0.19 0.00 -0.03 0.00 0.00 56.01 52.78 1cza n LEU 26 Cb 0.14 -0.70 0.43 0.00 -2.33 0.00 0.00 43.42 40.95 1cza n LEU 26 CO 0.32 1.02 1.19 0.22 -1.33 0.00 0.00 177.39 178.82 1cza h TYR 27 N 1.49 0.87 0.00 -1.77 3.20 -0.62 0.20 116.97 120.34 1cza h TYR 27 Ca 0.31 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.21 1cza h TYR 27 Cb 2.10 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 40.11 1cza h TYR 27 CO 1.16 0.10 0.00 0.00 -1.64 0.00 0.00 178.16 177.78 1cza h ALA 28 N 1.67 1.00 -0.00 1.82 0.00 -1.86 -2.27 119.26 119.62 1cza h ALA 28 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1cza h ALA 28 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1cza h ALA 28 CO -0.38 0.00 -0.50 -1.33 0.00 0.00 0.00 179.25 177.04 1cza n MET 29 N -2.49 0.00 -3.25 0.00 2.81 0.06 -4.73 117.12 109.51 1cza n MET 29 Ca 0.01 -0.00 -0.46 0.00 -1.81 0.00 0.00 57.70 55.43 1cza n MET 29 Cb 0.19 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 1cza n MET 29 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1cza s ARG 30 N -3.00 3.34 -0.04 0.03 0.52 -0.86 -4.55 118.95 114.39 1cza s ARG 30 Ca 0.11 -2.00 -0.25 0.00 -0.52 0.00 0.00 55.73 53.07 1cza s ARG 30 Cb 0.18 -4.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.20 1cza s ARG 30 CO 0.70 -1.39 0.77 -0.51 0.02 0.00 0.00 175.30 174.89 1cza s LEU 31 N 1.20 4.34 0.78 2.53 1.43 -1.26 -5.02 118.68 122.68 1cza s LEU 31 Ca 0.14 1.32 -0.10 0.00 -1.03 0.00 0.00 54.13 54.46 1cza s LEU 31 Cb -0.18 -3.21 0.08 0.00 0.03 0.00 0.00 46.19 42.92 1cza s LEU 31 CO -0.03 -0.14 1.12 -0.94 0.23 0.00 0.00 176.35 176.59 1cza s SER 32 N 0.78 4.52 0.33 2.29 1.04 -1.26 -4.88 113.70 116.52 1cza s SER 32 Ca 0.41 0.59 0.04 0.00 0.48 0.00 0.00 55.95 57.46 1cza s SER 32 Cb -0.19 -1.11 0.57 0.00 0.10 0.00 0.00 66.02 65.40 1cza s SER 32 CO 0.21 -1.84 1.86 0.44 0.98 0.00 0.00 173.24 174.88 1cza h ASP 33 N -0.90 0.50 -0.71 7.02 3.45 -1.98 -0.95 116.42 122.85 1cza h ASP 33 Ca -0.45 -0.10 -0.00 0.00 0.43 0.00 0.00 57.03 56.90 1cza h ASP 33 Cb 1.32 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 39.92 1cza h ASP 33 CO 0.61 0.59 0.43 -0.08 -1.57 0.00 0.00 179.24 179.22 1cza h GLU 34 N 0.51 0.96 -0.42 3.56 4.81 -1.99 0.14 114.58 122.16 1cza h GLU 34 Ca 0.11 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1cza h GLU 34 Cb 0.36 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1cza h GLU 34 CO 0.01 0.69 -0.04 1.15 -0.73 0.00 0.00 179.01 180.08 1cza h THR 35 N 0.97 1.27 -0.49 0.32 2.02 -1.78 -1.61 112.91 113.61 1cza h THR 35 Ca 0.25 -1.11 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 1cza h THR 35 Cb -0.03 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1cza h THR 35 CO -0.05 0.37 0.07 -0.07 0.37 0.00 0.00 175.52 176.22 1cza h LEU 36 N 0.59 0.71 -0.89 2.58 3.38 -0.60 0.83 115.31 121.92 1cza h LEU 36 Ca 0.11 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1cza h LEU 36 Cb 0.55 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1cza h LEU 36 CO 0.03 0.74 0.21 0.40 0.09 0.00 0.00 178.44 179.91 1cza h ILE 37 N 0.73 1.25 -0.09 1.22 2.04 -0.65 0.14 117.51 122.14 1cza h ILE 37 Ca 0.15 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 1cza h ILE 37 Cb 0.34 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1cza h ILE 37 CO 0.01 0.33 0.04 -0.78 0.00 0.00 0.00 178.15 177.75 1cza h ASP 38 N 0.99 0.12 -0.97 1.72 3.58 -0.39 -0.66 116.42 120.81 1cza h ASP 38 Ca 0.22 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.56 1cza h ASP 38 Cb 0.28 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.25 1cza h ASP 38 CO -0.01 0.22 0.64 0.40 -2.88 0.00 0.00 179.24 177.61 1cza h ILE 39 N 0.01 1.20 -0.69 2.25 2.04 -0.37 -0.70 117.51 121.26 1cza h ILE 39 Ca 0.03 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.50 1cza h ILE 39 Cb 0.13 -0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 35.99 1cza h ILE 39 CO -0.00 0.23 0.41 -0.03 0.00 0.00 0.00 178.15 178.76 1cza h MET 40 N 1.27 0.76 -0.45 2.37 4.05 -0.43 -0.07 114.93 122.42 1cza h MET 40 Ca 0.37 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.65 1cza h MET 40 Cb -0.07 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.55 1cza h MET 40 CO -0.10 0.50 -0.09 1.15 0.23 0.00 0.00 176.91 178.60 1cza h THR 41 N 0.79 1.27 -0.55 -0.77 2.02 -0.29 -1.11 112.91 114.26 1cza h THR 41 Ca 0.29 -1.20 0.06 0.00 0.77 0.00 0.00 66.41 66.34 1cza h THR 41 Cb 0.10 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 1cza h THR 41 CO -0.14 0.41 0.26 0.03 0.37 0.00 0.00 175.52 176.44 1cza h ARG 42 N 0.69 0.47 0.00 6.66 3.08 -0.62 -1.82 114.38 122.84 1cza h ARG 42 Ca 0.12 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 1cza h ARG 42 Cb 0.63 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1cza h ARG 42 CO 0.04 0.31 -0.41 0.35 -1.07 0.00 0.00 179.97 179.19 1cza h PHE 43 N 0.48 0.00 -0.65 3.04 3.57 -0.73 -1.39 116.94 121.27 1cza h PHE 43 Ca 0.25 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 1cza h PHE 43 Cb 0.21 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1cza h PHE 43 CO -0.12 0.41 0.27 -0.09 -2.23 0.00 0.00 178.31 176.55 1cza h ARG 44 N 0.00 0.97 -0.59 1.11 2.43 -0.74 -0.70 114.38 116.86 1cza h ARG 44 Ca -0.00 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 1cza h ARG 44 Cb 0.74 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1cza h ARG 44 CO 0.05 0.81 0.13 -0.22 -1.51 0.00 0.00 179.97 179.23 1cza h LYS 45 N 0.92 0.95 -0.63 0.20 3.64 -0.78 -2.51 116.57 118.35 1cza h LYS 45 Ca 0.22 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1cza h LYS 45 Cb 0.19 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1cza h LYS 45 CO -0.02 0.88 0.34 0.93 -2.27 0.00 0.00 179.45 179.31 1cza h GLU 46 N 0.86 0.87 -0.50 1.90 4.39 -0.50 -1.76 114.58 119.85 1cza h GLU 46 Ca 0.18 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1cza h GLU 46 Cb 0.36 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1cza h GLU 46 CO 0.00 0.65 0.24 0.52 -1.16 0.00 0.00 179.01 179.27 1cza h MET 47 N 0.88 0.71 -0.37 2.33 2.86 -0.98 0.99 114.93 121.36 1cza h MET 47 Ca 0.22 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.68 1cza h MET 47 Cb 0.03 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1cza h MET 47 CO -0.04 0.59 -0.09 -0.22 1.06 0.00 0.00 176.91 178.21 1cza h LYS 48 N 0.66 0.64 -0.71 1.72 3.64 -1.06 -2.05 116.57 119.40 1cza h LYS 48 Ca 0.17 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1cza h LYS 48 Cb 0.11 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1cza h LYS 48 CO -0.02 0.72 0.32 -0.91 -2.27 0.00 0.00 179.45 177.29 1cza h ASN 49 N 0.59 0.95 0.47 4.20 2.35 -0.84 -1.84 115.58 121.46 1cza h ASN 49 Ca 0.11 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 1cza h ASN 49 Cb 0.51 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1cza h ASN 49 CO 0.03 0.83 -0.48 1.23 -1.65 0.00 0.00 177.43 177.39 1cza h GLY 50 N 1.00 0.01 1.91 2.83 0.00 -0.57 -2.77 103.07 105.49 1cza h GLY 50 Ca 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1cza h GLY 50 CO -0.03 0.01 -0.12 1.41 0.00 0.00 0.00 176.54 177.82 1cza h LEU 51 N 0.01 0.00 -9.67 3.11 3.38 -1.07 -3.42 115.31 107.65 1cza h LEU 51 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 1cza h LEU 51 Cb 0.86 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.63 1cza h LEU 51 CO 0.06 0.03 0.62 -0.55 0.09 0.00 0.00 178.44 178.69 1cza s SER 52 N -6.15 6.97 0.41 -0.43 0.15 -0.72 -3.23 113.70 110.69 1cza s SER 52 Ca 0.06 2.33 0.11 0.00 0.70 0.00 0.00 55.95 59.16 1cza s SER 52 Cb 0.06 -2.61 0.87 0.00 -1.71 0.00 0.00 66.02 62.63 1cza s SER 52 CO 0.68 -0.47 1.95 0.08 1.20 0.00 0.00 173.24 176.69 1cza h ARG 53 N 5.35 0.18 -0.05 5.44 0.11 -1.89 0.53 114.38 124.05 1cza h ARG 53 Ca -0.45 -0.04 -0.10 0.00 0.10 0.00 0.00 59.98 59.50 1cza h ARG 53 Cb 1.21 -0.03 0.01 0.00 1.11 0.00 0.00 29.97 32.27 1cza h ARG 53 CO 0.76 0.31 -0.36 -0.44 0.10 0.00 0.00 179.97 180.34 1cza h ASP 54 N 0.17 0.41 0.12 0.08 3.32 -1.91 -3.36 116.42 115.25 1cza h ASP 54 Ca 0.04 -0.68 0.00 0.00 0.02 0.00 0.00 57.03 56.41 1cza h ASP 54 Cb 0.32 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1cza h ASP 54 CO 0.02 1.02 -0.72 0.49 -1.72 0.00 0.00 179.24 178.33 1cza n PHE 55 N -4.39 0.00 -0.31 4.55 3.72 -1.16 -4.50 117.46 115.37 1cza n PHE 55 Ca -0.09 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.39 1cza n PHE 55 Cb 0.53 -0.06 0.24 0.00 -0.94 0.00 0.00 39.48 39.24 1cza n PHE 55 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1cza h ASN 56 N 0.61 0.59 0.01 4.37 -0.73 -0.62 0.15 115.58 119.97 1cza h ASN 56 Ca 0.00 0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.26 1cza h ASN 56 Cb 0.55 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 39.13 1cza h ASN 56 CO 0.00 0.25 -0.00 -0.65 -0.37 0.00 0.00 177.43 176.66 1cza h PRO 57 N 0.67 0.00 -0.00 6.67 0.11 -1.83 -1.44 132.00 136.18 1cza h PRO 57 Ca 0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.59 1cza h PRO 57 Cb 0.67 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 1cza h PRO 57 CO -0.36 0.00 -0.32 0.25 -0.21 0.00 0.00 178.00 177.37 1cza n THR 58 N -3.95 2.10 -3.37 -1.15 -2.24 -0.06 -5.02 114.28 100.60 1cza n THR 58 Ca -0.03 -2.89 -0.38 0.00 -2.27 0.00 0.00 64.05 58.48 1cza n THR 58 Cb 0.09 -0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.02 1cza n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cza s ALA 59 N -3.11 3.57 0.10 6.98 0.00 -0.55 -4.97 121.76 123.79 1cza s ALA 59 Ca 0.36 -0.15 0.14 0.00 0.00 0.00 0.00 51.96 52.31 1cza s ALA 59 Cb 0.34 -2.56 0.29 0.00 0.00 0.00 0.00 23.12 21.19 1cza s ALA 59 CO -0.03 0.24 1.55 1.79 0.00 0.00 0.00 175.76 179.31 1cza h THR 60 N 4.14 1.16 -3.36 0.00 1.35 -1.89 -3.38 112.91 110.93 1cza h THR 60 Ca -0.46 -2.19 -0.73 0.00 -0.55 0.00 0.00 66.41 62.48 1cza h THR 60 Cb 1.20 2.27 -0.24 0.00 -1.73 0.00 0.00 68.15 69.65 1cza h THR 60 CO 0.68 0.57 -0.38 -0.69 -0.25 0.00 0.00 175.52 175.45 1cza s VAL 61 N -3.28 4.86 0.06 6.82 1.01 -1.26 -4.52 120.40 124.10 1cza s VAL 61 Ca 0.01 -1.19 0.31 0.00 0.00 0.00 0.00 61.98 61.11 1cza s VAL 61 Cb 0.10 -3.93 0.36 0.00 0.00 0.00 0.00 36.38 32.91 1cza s VAL 61 CO 0.74 -0.55 1.93 0.11 0.00 0.00 0.00 175.10 177.32 1cza h LYS 62 N 8.63 0.00 -6.61 2.72 1.57 -1.71 -3.32 116.57 117.85 1cza h LYS 62 Ca -0.26 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.99 1cza h LYS 62 Cb 1.10 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.43 1cza h LYS 62 CO 0.84 0.04 -0.97 -1.33 -0.57 0.00 0.00 179.45 177.45 1cza n MET 63 N -3.14 -0.92 -2.55 3.15 2.81 -1.02 -4.78 117.12 110.67 1cza n MET 63 Ca 0.01 0.26 -0.42 0.00 -1.81 0.00 0.00 57.70 55.74 1cza n MET 63 Cb 0.35 -3.41 -0.03 0.00 -0.71 0.00 0.00 33.22 29.42 1cza n MET 63 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1cza s LEU 64 N -7.00 4.35 0.33 4.03 1.43 0.17 -4.74 118.68 117.25 1cza s LEU 64 Ca 0.43 1.83 -0.29 0.00 -1.03 0.00 0.00 54.13 55.07 1cza s LEU 64 Cb -0.20 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.35 1cza s LEU 64 CO 0.92 -0.40 1.39 -2.84 0.23 0.00 0.00 176.35 175.65 1cza s PRO 65 N 1.23 4.26 -0.01 1.29 0.02 -1.26 -0.82 135.00 139.71 1cza s PRO 65 Ca 0.55 2.35 0.14 0.00 0.02 0.00 0.00 61.00 64.07 1cza s PRO 65 Cb -0.25 -3.04 -0.20 0.00 0.02 0.00 0.00 34.50 31.03 1cza s PRO 65 CO 0.27 -0.34 0.43 0.25 -0.33 0.00 0.00 177.00 177.28 1cza n THR 66 N 0.95 0.00 -1.89 0.99 -2.24 -1.01 -4.59 114.28 106.48 1cza n THR 66 Ca 0.01 -0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.37 1cza n THR 66 Cb 0.41 0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 69.10 1cza n THR 66 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1cza n PHE 67 N -1.74 -0.39 -3.75 4.78 3.01 -1.26 -4.74 117.46 113.37 1cza n PHE 67 Ca -0.01 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.08 1cza n PHE 67 Cb 0.32 -2.98 -0.12 0.00 -0.01 0.00 0.00 39.48 36.68 1cza n PHE 67 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1cza s VAL 68 N -2.68 3.79 -2.70 -4.37 1.01 -1.26 -4.80 120.40 109.38 1cza s VAL 68 Ca 0.00 -1.15 0.24 0.00 0.00 0.00 0.00 61.98 61.07 1cza s VAL 68 Cb 0.00 -3.15 0.17 0.00 0.00 0.00 0.00 36.38 33.39 1cza s VAL 68 CO 0.00 -0.19 1.26 0.54 0.00 0.00 0.00 175.10 176.71 1cza n ARG 69 N 4.81 1.97 -3.51 2.72 1.74 -1.26 -0.62 116.66 122.52 1cza n ARG 69 Ca -0.12 -1.60 -0.15 0.00 -0.77 0.00 0.00 57.85 55.20 1cza n ARG 69 Cb 0.45 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.37 1cza n ARG 69 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1cza s SER 70 N -2.13 -0.59 0.85 0.55 0.15 -1.26 -4.43 113.70 106.84 1cza s SER 70 Ca 0.26 0.50 -0.12 0.00 0.70 0.00 0.00 55.95 57.29 1cza s SER 70 Cb 0.20 0.51 0.10 0.00 -1.71 0.00 0.00 66.02 65.12 1cza s SER 70 CO 0.37 -0.64 1.12 0.27 1.20 0.00 0.00 173.24 175.56 1cza s ILE 71 N -1.78 2.49 0.65 6.45 -4.36 -1.26 -4.96 121.20 118.42 1cza s ILE 71 Ca -0.07 0.16 -0.18 0.00 -0.26 0.00 0.00 60.65 60.30 1cza s ILE 71 Cb -0.00 -2.94 -0.01 0.00 1.25 0.00 0.00 42.46 40.76 1cza s ILE 71 CO 0.03 -0.21 1.29 -2.65 0.24 0.00 0.00 174.94 173.65 1cza n PRO 72 N -3.57 1.14 -0.03 0.37 -0.02 -1.26 -4.95 135.00 126.68 1cza n PRO 72 Ca 0.07 0.44 0.02 0.00 -2.02 0.00 0.00 63.50 62.01 1cza n PRO 72 Cb 0.58 -2.53 0.03 0.00 -0.02 0.00 0.00 33.50 31.56 1cza n PRO 72 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1cza n ASP 73 N -1.86 1.83 0.00 2.55 5.68 -1.26 -4.79 116.55 118.71 1cza n ASP 73 Ca 0.16 -1.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 1cza n ASP 73 Cb 0.48 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1cza n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cza n GLY 74 N 0.01 1.39 0.22 6.12 0.00 -1.26 -4.89 105.19 106.78 1cza n GLY 74 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1cza n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cza n SER 75 N 0.00 0.74 -4.77 1.61 3.41 -1.26 -4.88 113.62 108.47 1cza n SER 75 Ca 0.00 -1.01 -0.38 0.00 -0.26 0.00 0.00 58.87 57.23 1cza n SER 75 Cb 0.00 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 63.91 1cza n SER 75 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1cza s GLU 76 N -2.21 4.07 -0.23 4.33 8.01 -1.26 -5.02 118.70 126.39 1cza s GLU 76 Ca 0.36 1.74 -0.26 0.00 0.01 0.00 0.00 54.97 56.82 1cza s GLU 76 Cb 0.21 -2.63 0.09 0.00 -4.31 0.00 0.00 34.13 27.49 1cza s GLU 76 CO 0.41 -0.28 0.85 -1.59 0.01 0.00 0.00 175.26 174.65 1cza s LYS 77 N -2.36 0.73 0.00 1.61 -2.85 -1.26 -4.54 119.74 111.07 1cza s LYS 77 Ca 0.58 0.67 0.00 0.00 -1.00 0.00 0.00 55.97 56.22 1cza s LYS 77 Cb -0.28 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 35.84 1cza s LYS 77 CO 0.35 -0.13 0.00 0.41 0.10 0.00 0.00 175.35 176.08 1cza n GLY 78 N 2.08 -0.77 2.85 0.59 0.00 -0.76 -4.95 105.19 104.23 1cza n GLY 78 Ca -0.14 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 1cza n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cza s ASP 79 N -2.35 3.11 0.26 1.61 2.15 -1.26 -1.21 116.67 118.97 1cza s ASP 79 Ca 0.00 -0.84 0.08 0.00 0.43 0.00 0.00 52.55 52.22 1cza s ASP 79 Cb 0.00 -0.88 -0.05 0.00 -0.30 0.00 0.00 42.92 41.69 1cza s ASP 79 CO 0.00 -0.24 -0.13 -0.36 -0.17 0.00 0.00 175.17 174.28 1cza s PHE 80 N 1.64 1.97 -0.11 -5.34 0.40 0.40 -4.15 117.98 112.79 1cza s PHE 80 Ca -0.02 -0.55 -0.02 0.00 -0.60 0.00 0.00 56.93 55.75 1cza s PHE 80 Cb -0.17 -0.98 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 1cza s PHE 80 CO -0.07 0.44 -0.05 0.42 0.70 0.00 0.00 175.22 176.65 1cza s ILE 81 N -2.85 3.79 -0.11 0.64 1.01 -0.66 -0.28 121.20 122.75 1cza s ILE 81 Ca 0.27 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1cza s ILE 81 Cb -0.00 -2.61 0.02 0.00 0.01 0.00 0.00 42.46 39.88 1cza s ILE 81 CO 0.11 0.55 -0.14 0.00 0.00 0.00 0.00 174.94 175.45 1cza s ALA 82 N -0.20 1.66 0.20 9.38 0.00 0.38 -0.48 121.76 132.70 1cza s ALA 82 Ca 0.03 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.17 1cza s ALA 82 Cb -0.13 -0.86 -0.07 0.00 0.00 0.00 0.00 23.12 22.06 1cza s ALA 82 CO 0.03 -0.15 0.52 -0.51 0.00 0.00 0.00 175.76 175.65 1cza s LEU 83 N 1.11 4.21 -0.28 0.00 1.43 0.23 -0.65 118.68 124.73 1cza s LEU 83 Ca -0.04 0.89 -0.04 0.00 -1.03 0.00 0.00 54.13 53.91 1cza s LEU 83 Cb -0.14 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.62 1cza s LEU 83 CO -0.03 -0.02 0.12 -0.62 0.23 0.00 0.00 176.35 176.03 1cza s ASP 84 N -2.26 3.49 -0.05 2.29 3.68 0.58 -0.69 116.67 123.70 1cza s ASP 84 Ca 0.45 -1.26 0.03 0.00 2.13 0.00 0.00 52.55 53.90 1cza s ASP 84 Cb -0.12 -0.38 0.00 0.00 -1.45 0.00 0.00 42.92 40.98 1cza s ASP 84 CO 0.21 -0.43 -0.14 -0.22 0.13 0.00 0.00 175.17 174.72 1cza s LEU 85 N 2.07 1.82 0.00 -1.34 2.96 -0.06 -1.43 118.68 122.69 1cza s LEU 85 Ca 0.09 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 1cza s LEU 85 Cb -0.16 -0.87 0.00 0.00 0.50 0.00 0.00 46.19 45.66 1cza s LEU 85 CO -0.34 0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.40 1cza n GLY 86 N 3.36 1.67 0.00 7.98 0.00 -1.26 -1.93 105.19 115.01 1cza n GLY 86 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1cza n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cza n GLY 87 N 0.00 0.33 0.23 -0.02 0.00 -1.26 -4.89 105.19 99.58 1cza n GLY 87 Ca 0.00 -1.80 0.09 0.00 0.00 0.00 0.00 46.02 44.31 1cza n GLY 87 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1cza h SER 88 N 0.00 0.00 -3.83 1.61 4.64 -1.99 -3.43 113.55 110.55 1cza h SER 88 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1cza h SER 88 Cb 0.00 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.79 1cza h SER 88 CO 0.00 0.23 -0.77 -0.44 -0.87 0.00 0.00 176.83 174.99 1cza s SER 89 N -6.41 0.81 -0.41 4.97 0.01 -1.26 -5.08 113.70 106.34 1cza s SER 89 Ca -0.02 -0.12 -0.28 0.00 1.31 0.00 0.00 55.95 56.84 1cza s SER 89 Cb 0.13 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.20 1cza s SER 89 CO 0.64 0.05 1.05 0.12 0.41 0.00 0.00 173.24 175.51 1cza s PHE 90 N 0.12 2.98 0.24 2.43 5.99 -1.26 -4.71 117.98 123.76 1cza s PHE 90 Ca -0.01 0.82 0.11 0.00 0.00 0.00 0.00 56.93 57.84 1cza s PHE 90 Cb -0.06 -4.00 -0.05 0.00 0.00 0.00 0.00 43.02 38.92 1cza s PHE 90 CO -0.00 -1.01 -0.16 1.03 -0.00 0.00 0.00 175.22 175.07 1cza s ARG 91 N 3.93 1.81 -0.06 10.12 0.52 -0.52 -1.09 118.95 133.66 1cza s ARG 91 Ca 0.44 -1.56 0.03 0.00 -0.52 0.00 0.00 55.73 54.12 1cza s ARG 91 Cb -0.10 -1.92 0.01 0.00 0.52 0.00 0.00 34.95 33.46 1cza s ARG 91 CO 0.24 0.37 -0.13 0.42 0.02 0.00 0.00 175.30 176.22 1cza s ILE 92 N -2.11 1.14 0.11 1.52 1.01 -0.73 -0.31 121.20 121.83 1cza s ILE 92 Ca 0.27 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.49 1cza s ILE 92 Cb -0.07 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 1cza s ILE 92 CO 0.14 0.35 -0.16 -0.76 0.00 0.00 0.00 174.94 174.51 1cza s LEU 93 N 0.53 2.35 -0.22 2.97 1.02 0.18 -1.51 118.68 124.00 1cza s LEU 93 Ca -0.12 -0.73 -0.03 0.00 0.02 0.00 0.00 54.13 53.27 1cza s LEU 93 Cb -0.15 -0.65 -0.01 0.00 0.02 0.00 0.00 46.19 45.41 1cza s LEU 93 CO 0.03 -0.06 -0.06 -0.60 0.02 0.00 0.00 176.35 175.68 1cza s ARG 94 N -2.23 3.35 -0.19 1.70 3.52 -0.69 -0.47 118.95 123.93 1cza s ARG 94 Ca 0.06 -0.64 0.01 0.00 -0.13 0.00 0.00 55.73 55.03 1cza s ARG 94 Cb -0.08 -2.97 0.03 0.00 -1.56 0.00 0.00 34.95 30.37 1cza s ARG 94 CO 0.03 -0.19 -0.18 0.08 -0.81 0.00 0.00 175.30 174.24 1cza s VAL 95 N 1.45 2.00 -0.15 7.11 1.01 0.62 -2.01 120.40 130.43 1cza s VAL 95 Ca 0.06 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 1cza s VAL 95 Cb -0.14 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1cza s VAL 95 CO -0.04 0.44 0.08 -1.10 0.00 0.00 0.00 175.10 174.47 1cza s GLN 96 N 1.29 3.64 -0.11 2.72 -0.21 0.36 -0.45 119.66 126.90 1cza s GLN 96 Ca 0.03 -0.29 0.01 0.00 0.02 0.00 0.00 55.36 55.13 1cza s GLN 96 Cb -0.14 -3.14 0.02 0.00 1.00 0.00 0.00 33.01 30.75 1cza s GLN 96 CO -0.11 0.50 -0.12 0.14 -2.12 0.00 0.00 175.29 173.58 1cza s VAL 97 N -0.28 1.29 -1.75 1.09 -7.23 -0.35 -1.11 120.40 112.07 1cza s VAL 97 Ca 0.09 -0.49 -0.20 0.00 -1.81 0.00 0.00 61.98 59.57 1cza s VAL 97 Cb -0.12 -1.23 0.18 0.00 0.56 0.00 0.00 36.38 35.77 1cza s VAL 97 CO 0.01 0.41 0.73 0.59 -0.31 0.00 0.00 175.10 176.53 1cza n ASN 98 N 4.57 -2.91 0.06 4.85 5.03 0.31 -1.83 115.26 125.34 1cza n ASN 98 Ca -0.17 -1.06 0.13 0.00 0.87 0.00 0.00 54.58 54.35 1cza n ASN 98 Cb 0.51 -2.41 0.35 0.00 -1.02 0.00 0.00 39.78 37.20 1cza n ASN 98 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1cza n HIS 99 N -4.27 0.51 -3.75 3.10 -0.00 -1.26 -4.71 115.22 104.84 1cza n HIS 99 Ca 0.09 0.15 -0.13 0.00 0.46 0.00 0.00 57.72 58.29 1cza n HIS 99 Cb 0.48 -0.67 -0.09 0.00 -0.12 0.00 0.00 29.99 29.58 1cza n HIS 99 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 1cza s GLU 100 N -3.09 0.63 0.40 1.57 2.12 -1.26 -5.05 118.70 114.02 1cza s GLU 100 Ca 0.10 -0.03 -0.27 0.00 0.36 0.00 0.00 54.97 55.13 1cza s GLU 100 Cb 0.15 0.29 -0.10 0.00 0.26 0.00 0.00 34.13 34.73 1cza s GLU 100 CO 0.64 -0.16 1.42 0.21 -0.54 0.00 0.00 175.26 176.83 1cza s LYS 101 N -1.02 3.96 -1.17 4.30 2.20 -1.26 -3.23 119.74 123.53 1cza s LYS 101 Ca -0.11 2.42 -0.06 0.00 -0.36 0.00 0.00 55.97 57.86 1cza s LYS 101 Cb -0.04 -2.84 0.01 0.00 -1.51 0.00 0.00 37.83 33.45 1cza s LYS 101 CO 0.04 -0.59 0.79 -1.71 -0.36 0.00 0.00 175.35 173.51 1cza n ASN 102 N 0.21 -5.48 -3.25 1.43 4.05 -1.26 -4.97 115.26 106.00 1cza n ASN 102 Ca 0.03 -0.36 -0.04 0.00 0.45 0.00 0.00 54.58 54.65 1cza n ASN 102 Cb 0.41 -4.17 -0.03 0.00 1.23 0.00 0.00 39.78 37.22 1cza n ASN 102 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 1cza s GLN 103 N -5.85 0.57 0.00 1.20 0.74 -1.20 -5.04 119.66 110.08 1cza s GLN 103 Ca 0.39 0.04 0.00 0.00 0.05 0.00 0.00 55.36 55.84 1cza s GLN 103 Cb -0.17 -0.12 0.00 0.00 1.10 0.00 0.00 33.01 33.82 1cza s GLN 103 CO 0.48 -1.09 0.68 0.09 -0.55 0.00 0.00 175.29 174.90 1cza n ASN 104 N 5.03 0.00 -4.51 6.67 3.02 -1.26 -3.59 115.26 120.62 1cza n ASN 104 Ca 0.05 0.68 -0.28 0.00 -0.03 0.00 0.00 54.58 55.00 1cza n ASN 104 Cb 0.52 -0.18 -0.11 0.00 -0.61 0.00 0.00 39.78 39.40 1cza n ASN 104 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1cza s VAL 105 N -1.71 2.93 -0.05 2.41 1.01 -1.26 0.11 120.40 123.84 1cza s VAL 105 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.38 1cza s VAL 105 Cb 0.00 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 34.02 1cza s VAL 105 CO 0.00 0.01 -0.03 -2.28 0.00 0.00 0.00 175.10 172.80 1cza s HIS 106 N -1.39 0.64 0.09 5.22 2.46 -0.27 -4.99 115.29 117.06 1cza s HIS 106 Ca 0.21 -0.16 0.07 0.00 0.47 0.00 0.00 55.06 55.65 1cza s HIS 106 Cb -0.10 -0.64 -0.03 0.00 -0.13 0.00 0.00 32.58 31.68 1cza s HIS 106 CO 0.12 -0.21 -0.18 -1.64 -2.47 0.00 0.00 174.74 170.36 1cza s MET 107 N 1.16 1.00 0.06 2.88 -1.94 -1.26 -0.48 119.30 120.72 1cza s MET 107 Ca -0.07 -1.09 0.03 0.00 -1.71 0.00 0.00 55.69 52.85 1cza s MET 107 Cb -0.14 -1.13 -0.03 0.00 2.01 0.00 0.00 34.83 35.55 1cza s MET 107 CO -0.01 0.26 -0.10 -1.83 -0.01 0.00 0.00 175.02 173.32 1cza s GLU 108 N -1.92 0.68 0.13 2.03 -1.05 -0.85 -5.00 118.70 112.72 1cza s GLU 108 Ca 0.03 -0.92 -0.10 0.00 -0.15 0.00 0.00 54.97 53.84 1cza s GLU 108 Cb -0.10 -0.48 0.00 0.00 -0.44 0.00 0.00 34.13 33.11 1cza s GLU 108 CO 0.03 0.09 0.26 -1.54 0.95 0.00 0.00 175.26 175.06 1cza s SER 109 N -1.87 0.04 -0.09 0.83 1.04 -1.26 -1.70 113.70 110.69 1cza s SER 109 Ca -0.04 -0.70 -0.08 0.00 0.48 0.00 0.00 55.95 55.62 1cza s SER 109 Cb -0.08 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.47 1cza s SER 109 CO 0.01 -0.82 0.23 -0.70 0.98 0.00 0.00 173.24 172.94 1cza s GLU 110 N -3.90 0.26 -0.14 4.02 2.12 -0.57 -5.00 118.70 115.50 1cza s GLU 110 Ca 0.10 0.35 -0.11 0.00 0.36 0.00 0.00 54.97 55.67 1cza s GLU 110 Cb 0.04 0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.47 1cza s GLU 110 CO -0.06 -0.05 0.22 0.08 -0.54 0.00 0.00 175.26 174.90 1cza s VAL 111 N 0.30 5.36 -0.17 3.70 1.01 -1.26 -1.77 120.40 127.56 1cza s VAL 111 Ca -0.01 0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 1cza s VAL 111 Cb -0.03 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 1cza s VAL 111 CO -0.01 0.50 -0.08 -0.31 0.00 0.00 0.00 175.10 175.20 1cza s TYR 112 N -0.23 2.91 0.23 5.22 1.51 -0.25 -5.02 117.35 121.72 1cza s TYR 112 Ca 0.15 -0.74 -0.31 0.00 -1.01 0.00 0.00 57.07 55.16 1cza s TYR 112 Cb -0.13 -1.97 -0.12 0.00 -0.11 0.00 0.00 41.96 39.63 1cza s TYR 112 CO 0.04 -0.34 1.68 0.34 -1.11 0.00 0.00 175.55 176.16 1cza s ASP 113 N 0.85 6.38 -0.42 2.29 2.15 -1.26 -4.33 116.67 122.32 1cza s ASP 113 Ca -0.02 2.89 0.02 0.00 0.43 0.00 0.00 52.55 55.87 1cza s ASP 113 Cb -0.15 -2.61 0.15 0.00 -0.30 0.00 0.00 42.92 40.01 1cza s ASP 113 CO 0.01 -0.95 0.29 -0.89 -0.17 0.00 0.00 175.17 173.45 1cza s THR 114 N 0.80 0.74 0.94 1.71 2.01 -1.26 -5.07 115.64 115.51 1cza s THR 114 Ca 0.71 -2.45 -0.11 0.00 0.31 0.00 0.00 61.69 60.15 1cza s THR 114 Cb -0.49 -1.52 0.16 0.00 0.01 0.00 0.00 72.50 70.66 1cza s THR 114 CO 0.37 -1.05 1.09 -2.16 -0.69 0.00 0.00 174.62 172.18 1cza s PRO 115 N 0.34 0.84 0.42 4.92 0.04 -1.26 -4.78 135.00 135.52 1cza s PRO 115 Ca 0.24 1.04 0.17 0.00 0.04 0.00 0.00 61.00 62.49 1cza s PRO 115 Cb -0.12 -1.74 1.08 0.00 0.04 0.00 0.00 34.50 33.76 1cza s PRO 115 CO -0.08 -2.59 1.87 1.49 0.04 0.00 0.00 177.00 177.73 1cza h GLU 116 N -1.81 0.39 0.00 4.56 4.81 -2.00 -1.96 114.58 118.56 1cza h GLU 116 Ca -0.50 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.65 1cza h GLU 116 Cb 1.28 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1cza h GLU 116 CO 0.50 0.26 -0.26 -2.95 -0.73 0.00 0.00 179.01 175.82 1cza h ASN 117 N 0.40 0.00 0.19 1.04 7.08 -1.96 0.72 115.58 123.06 1cza h ASN 117 Ca 0.44 0.00 -0.29 0.00 -3.08 0.00 0.00 56.30 53.37 1cza h ASN 117 Cb 1.10 0.00 0.03 0.00 -2.08 0.00 0.00 38.32 37.36 1cza h ASN 117 CO -0.16 0.26 -1.23 0.40 -2.08 0.00 0.00 177.43 174.63 1cza h ILE 118 N 0.00 1.31 0.00 6.14 1.08 -1.70 -2.01 117.51 122.33 1cza h ILE 118 Ca -0.00 -2.52 -0.12 0.00 -0.39 0.00 0.00 64.86 61.83 1cza h ILE 118 Cb 0.53 2.70 -0.02 0.00 -3.07 0.00 0.00 36.82 36.96 1cza h ILE 118 CO 0.03 0.76 -0.58 0.58 -0.69 0.00 0.00 178.15 178.25 1cza h VAL 119 N 0.26 1.17 -0.21 1.67 2.07 -1.29 -3.21 116.25 116.70 1cza h VAL 119 Ca -0.18 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.15 1cza h VAL 119 Cb 1.90 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.94 1cza h VAL 119 CO 0.23 0.57 0.00 1.41 0.02 0.00 0.00 177.57 179.80 1cza n HIS 120 N -3.48 0.25 -0.16 1.57 8.25 0.20 -1.43 115.22 120.43 1cza n HIS 120 Ca 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1cza n HIS 120 Cb 0.67 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.78 1cza n HIS 120 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1cza n GLY 121 N 1.30 1.50 3.88 -1.41 0.00 -0.75 -4.66 105.19 105.05 1cza n GLY 121 Ca 0.15 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 1cza n GLY 121 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cza s SER 122 N -1.00 6.44 0.19 1.61 1.04 -1.26 -1.36 113.70 119.36 1cza s SER 122 Ca 0.00 1.06 -0.12 0.00 0.48 0.00 0.00 55.95 57.38 1cza s SER 122 Cb 0.00 -2.30 0.20 0.00 0.10 0.00 0.00 66.02 64.02 1cza s SER 122 CO 0.00 -0.45 1.76 1.23 0.98 0.00 0.00 173.24 176.75 1cza h GLY 123 N 0.95 0.74 0.58 7.32 0.00 -1.04 -0.80 103.07 110.82 1cza h GLY 123 Ca -0.47 -0.13 0.07 0.00 0.00 0.00 0.00 47.33 46.80 1cza h GLY 123 CO 0.63 0.03 0.30 1.76 0.00 0.00 0.00 176.54 179.26 1cza h SER 124 N 0.41 0.41 -0.39 0.19 0.02 -1.92 -0.52 113.55 111.75 1cza h SER 124 Ca 0.26 0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 61.15 1cza h SER 124 Cb 0.27 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1cza h SER 124 CO -0.24 0.26 -0.13 -0.61 -1.14 0.00 0.00 176.83 174.97 1cza h GLN 125 N 0.55 0.85 0.23 3.45 4.15 -1.71 0.19 115.11 122.82 1cza h GLN 125 Ca 0.29 -0.30 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1cza h GLN 125 Cb 0.25 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1cza h GLN 125 CO -0.22 0.93 -0.11 1.25 -1.93 0.00 0.00 178.83 178.75 1cza h LEU 126 N 0.76 -0.26 -1.54 -2.39 5.85 -0.79 -1.63 115.31 115.32 1cza h LEU 126 Ca 0.12 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1cza h LEU 126 Cb 0.64 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1cza h LEU 126 CO 0.04 0.12 -0.24 -0.26 -0.34 0.00 0.00 178.44 177.77 1cza h PHE 127 N -0.68 0.00 -0.47 1.25 -1.00 -1.11 -1.72 116.94 113.21 1cza h PHE 127 Ca -0.03 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.62 1cza h PHE 127 Cb 0.47 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 1cza h PHE 127 CO 0.03 0.24 -0.19 -0.44 -1.61 0.00 0.00 178.31 176.34 1cza h ASP 128 N 0.00 0.98 -0.09 2.17 3.32 -0.61 -0.87 116.42 121.32 1cza h ASP 128 Ca -0.00 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.68 1cza h ASP 128 Cb 0.50 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1cza h ASP 128 CO 0.03 1.15 -0.06 -0.74 -1.72 0.00 0.00 179.24 177.90 1cza h HIS 129 N 0.80 -0.15 -0.63 4.55 2.76 -0.54 -0.99 115.15 120.96 1cza h HIS 129 Ca 0.11 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 1cza h HIS 129 Cb 0.77 0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.77 1cza h HIS 129 CO 0.05 -0.10 0.39 0.28 -1.30 0.00 0.00 177.93 177.25 1cza h VAL 130 N -0.07 1.08 -0.20 5.26 2.07 -1.09 -1.43 116.25 121.87 1cza h VAL 130 Ca 0.06 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 1cza h VAL 130 Cb 0.15 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1cza h VAL 130 CO -0.13 0.14 -0.14 0.00 0.02 0.00 0.00 177.57 177.46 1cza h ALA 131 N 1.27 1.39 -0.12 1.67 0.00 -0.98 -0.69 119.26 121.80 1cza h ALA 131 Ca 0.25 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1cza h ALA 131 Cb 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1cza h ALA 131 CO -0.10 0.42 -0.65 1.49 0.00 0.00 0.00 179.25 180.41 1cza h GLU 132 N 0.31 0.65 -0.22 0.00 4.81 -0.87 -1.58 114.58 117.68 1cza h GLU 132 Ca 0.06 -0.54 -0.11 0.00 -0.13 0.00 0.00 59.36 58.64 1cza h GLU 132 Cb 0.44 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1cza h GLU 132 CO 0.03 1.16 -0.33 0.00 -0.73 0.00 0.00 179.01 179.13 1cza h LEU 134 N 0.39 0.48 -0.04 0.00 5.85 -1.11 0.11 115.31 121.00 1cza h LEU 134 Ca 0.05 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1cza h LEU 134 Cb 0.77 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1cza h LEU 134 CO 0.06 0.67 -0.09 1.23 -0.34 0.00 0.00 178.44 179.97 1cza h GLY 135 N 0.28 -0.07 0.30 3.75 0.00 -0.96 0.08 103.07 106.45 1cza h GLY 135 Ca 0.08 0.11 0.11 0.00 0.00 0.00 0.00 47.33 47.63 1cza h GLY 135 CO 0.01 -0.10 0.25 -1.80 0.00 0.00 0.00 176.54 174.90 1cza h ASP 136 N -0.14 0.23 -0.45 0.19 1.82 -0.88 0.14 116.42 117.34 1cza h ASP 136 Ca 0.05 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1cza h ASP 136 Cb 0.21 0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 1cza h ASP 136 CO -0.13 0.12 0.27 0.15 -1.61 0.00 0.00 179.24 178.04 1cza h PHE 137 N 0.42 0.59 -0.18 0.28 3.57 0.10 -0.72 116.94 121.00 1cza h PHE 137 Ca 0.34 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.69 1cza h PHE 137 Cb 0.46 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1cza h PHE 137 CO -0.17 0.42 -0.53 0.52 -2.23 0.00 0.00 178.31 176.32 1cza h MET 138 N 0.59 0.51 0.84 1.11 2.86 -0.54 -2.96 114.93 117.34 1cza h MET 138 Ca 0.16 -0.32 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 1cza h MET 138 Cb 0.01 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1cza h MET 138 CO -0.03 0.92 -0.48 1.49 1.06 0.00 0.00 176.91 179.86 1cza h GLU 139 N 0.40 -1.19 -1.01 1.72 4.81 -0.39 0.41 114.58 119.34 1cza h GLU 139 Ca 0.01 0.08 0.23 0.00 -0.13 0.00 0.00 59.36 59.55 1cza h GLU 139 Cb 1.06 0.27 -0.11 0.00 0.63 0.00 0.00 28.75 30.60 1cza h GLU 139 CO 0.10 -0.79 0.62 0.87 -0.73 0.00 0.00 179.01 179.08 1cza h LYS 140 N -1.23 0.57 -0.22 1.92 1.57 -1.20 -1.36 116.57 116.62 1cza h LYS 140 Ca -0.11 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1cza h LYS 140 Cb 0.97 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1cza h LYS 140 CO 0.14 0.38 0.00 0.54 -0.57 0.00 0.00 179.45 179.94 1cza n ARG 141 N -4.77 2.39 -3.82 3.15 1.74 -1.10 -4.98 116.66 109.27 1cza n ARG 141 Ca 0.25 -2.06 -0.31 0.00 -0.77 0.00 0.00 57.85 54.96 1cza n ARG 141 Cb 0.72 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.69 1cza n ARG 141 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1cza n LYS 142 N 1.36 -1.93 -0.05 5.56 4.01 0.06 -4.88 118.16 122.29 1cza n LYS 142 Ca 0.17 0.40 0.06 0.00 -0.51 0.00 0.00 58.31 58.44 1cza n LYS 142 Cb 0.59 -4.13 0.09 0.00 -0.51 0.00 0.00 35.03 31.06 1cza n LYS 142 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 1cza n ILE 143 N -4.35 1.55 0.30 -0.18 -5.35 -0.74 -4.76 119.36 105.83 1cza n ILE 143 Ca -0.18 -1.79 0.19 0.00 -0.27 0.00 0.00 62.75 60.70 1cza n ILE 143 Cb 0.62 0.03 1.02 0.00 -1.74 0.00 0.00 39.64 39.57 1cza n ILE 143 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1cza h LYS 144 N 0.00 0.00 -0.30 6.28 1.57 -1.90 -2.12 116.57 120.10 1cza h LYS 144 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1cza h LYS 144 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1cza h LYS 144 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 1cza n ASP 145 N -3.37 2.79 0.08 0.86 8.00 -1.26 -4.60 116.55 119.04 1cza n ASP 145 Ca -0.02 -1.95 0.13 0.00 0.71 0.00 0.00 54.79 53.66 1cza n ASP 145 Cb 0.17 -0.20 0.45 0.00 -0.02 0.00 0.00 41.12 41.53 1cza n ASP 145 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cza n LYS 146 N 0.47 0.21 -3.55 -1.24 4.76 -0.80 -4.94 118.16 113.07 1cza n LYS 146 Ca 0.11 0.17 -0.22 0.00 -2.87 0.00 0.00 58.31 55.50 1cza n LYS 146 Cb 0.40 -1.74 0.08 0.00 -1.84 0.00 0.00 35.03 31.93 1cza n LYS 146 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1cza n LYS 147 N -2.10 -7.59 -2.36 1.97 5.02 -1.26 -4.93 118.16 106.91 1cza n LYS 147 Ca 0.06 0.83 -0.43 0.00 -2.02 0.00 0.00 58.31 56.75 1cza n LYS 147 Cb 0.41 -5.85 -0.02 0.00 -0.02 0.00 0.00 35.03 29.55 1cza n LYS 147 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cza s LEU 148 N -7.02 4.23 0.36 -0.35 1.43 -1.26 -4.98 118.68 111.08 1cza s LEU 148 Ca 0.44 1.82 -0.28 0.00 -1.03 0.00 0.00 54.13 55.08 1cza s LEU 148 Cb -0.20 -3.54 -0.12 0.00 0.03 0.00 0.00 46.19 42.37 1cza s LEU 148 CO 0.72 -0.75 1.40 -2.65 0.23 0.00 0.00 176.35 175.30 1cza n PRO 149 N 6.36 2.42 -4.25 1.29 -0.02 -1.26 -4.60 135.00 134.94 1cza n PRO 149 Ca 0.14 0.85 -0.34 0.00 -2.02 0.00 0.00 63.50 62.12 1cza n PRO 149 Cb 0.45 -2.51 -0.10 0.00 -0.02 0.00 0.00 33.50 31.31 1cza n PRO 149 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cza s VAL 150 N -1.08 4.37 0.05 -1.45 1.01 -0.04 -1.65 120.40 121.61 1cza s VAL 150 Ca 0.54 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.37 1cza s VAL 150 Cb -0.52 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1cza s VAL 150 CO 0.63 0.53 -0.07 -0.83 0.00 0.00 0.00 175.10 175.35 1cza s GLY 151 N -0.11 1.78 -0.21 4.51 0.00 0.37 -1.07 107.32 112.58 1cza s GLY 151 Ca 0.05 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1cza s GLY 151 CO 0.02 -1.03 -0.05 -0.12 0.00 0.00 0.00 173.10 171.91 1cza s PHE 152 N -1.11 2.16 -0.42 1.90 5.99 0.73 -0.60 117.98 126.63 1cza s PHE 152 Ca 0.20 -1.54 -0.27 0.00 0.00 0.00 0.00 56.93 55.32 1cza s PHE 152 Cb -0.11 -1.49 0.02 0.00 0.00 0.00 0.00 43.02 41.44 1cza s PHE 152 CO 0.11 -0.73 0.99 0.99 -0.00 0.00 0.00 175.22 176.58 1cza s THR 153 N 1.48 4.46 -0.27 0.12 2.01 0.13 -0.32 115.64 123.24 1cza s THR 153 Ca -0.04 1.12 0.00 0.00 0.31 0.00 0.00 61.69 63.09 1cza s THR 153 Cb -0.18 -4.43 0.08 0.00 0.01 0.00 0.00 72.50 67.98 1cza s THR 153 CO -0.07 -0.73 0.02 0.12 -0.69 0.00 0.00 174.62 173.28 1cza s PHE 154 N 3.80 2.24 -1.37 4.92 2.19 -0.34 -0.89 117.98 128.53 1cza s PHE 154 Ca 0.41 -1.86 -0.07 0.00 0.33 0.00 0.00 56.93 55.74 1cza s PHE 154 Cb -0.10 -1.79 0.09 0.00 -1.31 0.00 0.00 43.02 39.91 1cza s PHE 154 CO 0.24 -0.82 2.37 -1.13 1.83 0.00 0.00 175.22 177.71 1cza n SER 155 N 4.70 7.39 -3.96 6.13 3.41 -0.81 -4.34 113.62 126.15 1cza n SER 155 Ca -0.06 -3.03 -0.09 0.00 -0.26 0.00 0.00 58.87 55.44 1cza n SER 155 Cb 0.43 -1.43 -0.10 0.00 -0.26 0.00 0.00 64.21 62.86 1cza n SER 155 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1cza s PHE 156 N -0.10 0.25 0.04 7.33 0.40 -1.26 -4.89 117.98 119.74 1cza s PHE 156 Ca 0.53 -0.58 -0.30 0.00 -0.60 0.00 0.00 56.93 55.98 1cza s PHE 156 Cb 0.16 -0.18 -0.08 0.00 0.51 0.00 0.00 43.02 43.44 1cza s PHE 156 CO -0.07 -0.34 1.66 -1.25 0.70 0.00 0.00 175.22 175.91 1cza s PRO 157 N -2.64 4.20 0.02 0.24 0.04 -1.26 -4.92 135.00 130.68 1cza s PRO 157 Ca -0.05 2.30 0.03 0.00 0.04 0.00 0.00 61.00 63.33 1cza s PRO 157 Cb -0.01 -3.71 -0.02 0.00 0.04 0.00 0.00 34.50 30.81 1cza s PRO 157 CO -0.05 -0.76 -0.11 0.00 0.04 0.00 0.00 177.00 176.13 1cza s GLN 159 N -0.80 4.22 -0.07 0.00 0.74 0.90 -4.83 119.66 119.83 1cza s GLN 159 Ca 0.00 0.69 0.01 0.00 0.05 0.00 0.00 55.36 56.11 1cza s GLN 159 Cb -0.06 -3.58 0.02 0.00 1.10 0.00 0.00 33.01 30.49 1cza s GLN 159 CO 0.00 -0.27 -0.07 -0.65 -0.55 0.00 0.00 175.29 173.76 1cza s GLN 160 N 2.00 1.20 0.00 1.67 -0.21 -1.26 -1.04 119.66 122.01 1cza s GLN 160 Ca 0.30 -0.19 0.16 0.00 0.02 0.00 0.00 55.36 55.65 1cza s GLN 160 Cb -0.16 -1.20 -0.17 0.00 1.00 0.00 0.00 33.01 32.48 1cza s GLN 160 CO 0.11 -0.14 0.68 -1.13 -2.12 0.00 0.00 175.29 172.69 1cza n SER 161 N 4.40 0.77 -3.69 5.90 3.41 -1.26 -4.82 113.62 118.32 1cza n SER 161 Ca -0.18 -0.88 -0.10 0.00 -0.26 0.00 0.00 58.87 57.44 1cza n SER 161 Cb 0.51 0.99 -0.04 0.00 -0.26 0.00 0.00 64.21 65.41 1cza n SER 161 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1cza s LYS 162 N -2.48 1.30 0.46 4.33 -2.85 -1.26 -5.05 119.74 114.19 1cza s LYS 162 Ca 0.06 -0.80 0.11 0.00 -1.00 0.00 0.00 55.97 54.34 1cza s LYS 162 Cb 0.12 0.51 1.04 0.00 -2.06 0.00 0.00 37.83 37.44 1cza s LYS 162 CO 0.64 -0.54 2.10 0.97 0.10 0.00 0.00 175.35 178.62 1cza h ILE 163 N 2.22 1.06 -0.72 3.79 6.09 -1.87 -2.76 117.51 125.32 1cza h ILE 163 Ca -0.30 -0.11 -0.29 0.00 -1.37 0.00 0.00 64.86 62.79 1cza h ILE 163 Cb 1.26 0.71 -0.17 0.00 0.47 0.00 0.00 36.82 39.09 1cza h ILE 163 CO 0.40 0.06 0.37 -0.90 -3.07 0.00 0.00 178.15 175.00 1cza n ASP 164 N -4.50 4.10 -4.09 2.19 5.75 -1.26 -1.60 116.55 117.15 1cza n ASP 164 Ca 0.01 -3.16 -0.19 0.00 -0.01 0.00 0.00 54.79 51.43 1cza n ASP 164 Cb 0.08 -0.74 -0.14 0.00 -1.03 0.00 0.00 41.12 39.29 1cza n ASP 164 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1cza s GLU 165 N -2.68 0.84 -0.35 0.11 2.12 -1.04 -4.85 118.70 112.85 1cza s GLU 165 Ca 0.47 -0.57 0.04 0.00 0.36 0.00 0.00 54.97 55.27 1cza s GLU 165 Cb 0.39 -0.81 0.16 0.00 0.26 0.00 0.00 34.13 34.13 1cza s GLU 165 CO 0.11 0.21 0.45 0.00 -0.54 0.00 0.00 175.26 175.49 1cza s ALA 166 N -0.62 -1.20 -0.35 6.30 0.00 -1.26 -4.55 121.76 120.07 1cza s ALA 166 Ca 0.01 -0.23 -0.24 0.00 0.00 0.00 0.00 51.96 51.51 1cza s ALA 166 Cb -0.06 -2.23 0.01 0.00 0.00 0.00 0.00 23.12 20.83 1cza s ALA 166 CO 0.00 -2.01 0.82 0.42 0.00 0.00 0.00 175.76 174.99 1cza s ILE 167 N 1.96 4.71 0.07 0.00 1.01 -0.21 -0.45 121.20 128.29 1cza s ILE 167 Ca 0.14 1.01 -0.31 0.00 0.00 0.00 0.00 60.65 61.50 1cza s ILE 167 Cb -0.12 -4.22 -0.10 0.00 0.01 0.00 0.00 42.46 38.03 1cza s ILE 167 CO -0.14 -0.42 1.92 -0.11 0.00 0.00 0.00 174.94 176.18 1cza n LEU 168 N 6.45 4.08 -0.06 2.97 7.94 -0.76 -0.07 117.00 137.56 1cza n LEU 168 Ca 0.04 0.94 -0.04 0.00 -1.11 0.00 0.00 56.01 55.84 1cza n LEU 168 Cb 0.48 -1.53 -0.03 0.00 0.53 0.00 0.00 43.42 42.87 1cza n LEU 168 CO 0.54 0.18 0.01 0.40 -1.11 0.00 0.00 177.39 177.41 1cza h ILE 169 N 5.24 0.39 -3.15 1.96 2.04 -1.06 0.50 117.51 123.41 1cza h ILE 169 Ca -0.48 -1.31 -0.16 0.00 1.00 0.00 0.00 64.86 63.91 1cza h ILE 169 Cb 1.23 0.75 -0.25 0.00 -0.74 0.00 0.00 36.82 37.81 1cza h ILE 169 CO 0.94 0.13 -0.42 -0.89 0.00 0.00 0.00 178.15 177.91 1cza s THR 170 N -1.80 0.01 0.49 -0.27 2.01 -1.25 -4.55 115.64 110.28 1cza s THR 170 Ca -0.07 -0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.65 1cza s THR 170 Cb -0.00 -0.37 -0.08 0.00 0.01 0.00 0.00 72.50 72.06 1cza s THR 170 CO 0.19 -0.04 1.08 0.26 -0.69 0.00 0.00 174.62 175.41 1cza s TRP 171 N -0.06 2.93 0.36 4.92 0.52 -1.26 -4.33 118.94 122.02 1cza s TRP 171 Ca -0.02 1.57 0.07 0.00 0.02 0.00 0.00 56.10 57.74 1cza s TRP 171 Cb -0.02 -3.16 -0.03 0.00 -1.15 0.00 0.00 33.47 29.11 1cza s TRP 171 CO 0.01 -1.07 0.25 0.95 0.02 0.00 0.00 176.95 177.10 1cza s THR 172 N -1.85 0.14 0.00 2.01 -4.23 -1.26 -5.03 115.64 105.42 1cza s THR 172 Ca 0.67 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1cza s THR 172 Cb -0.20 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.20 1cza s THR 172 CO 0.24 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.61 1cza n LYS 173 N -0.73 0.00 0.00 3.99 5.02 -1.26 -2.98 118.16 122.21 1cza n LYS 173 Ca 0.04 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.44 1cza n LYS 173 Cb 0.63 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.79 1cza n LYS 173 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1cza n ARG 174 N 14.00 0.03 -2.96 1.97 1.74 -1.26 -4.85 116.66 125.33 1cza n ARG 174 Ca 0.00 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.71 1cza n ARG 174 Cb 0.00 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 29.87 1cza n ARG 174 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1cza s PHE 175 N -3.02 3.76 -0.45 -1.55 0.40 -1.16 -4.75 117.98 111.21 1cza s PHE 175 Ca 0.10 1.60 0.05 0.00 -0.60 0.00 0.00 56.93 58.08 1cza s PHE 175 Cb 0.17 -2.77 0.28 0.00 0.51 0.00 0.00 43.02 41.21 1cza s PHE 175 CO 0.74 0.36 1.04 1.17 0.70 0.00 0.00 175.22 179.24 1cza n LYS 176 N 0.97 0.73 -3.36 0.44 4.81 -0.51 -4.30 118.16 116.95 1cza n LYS 176 Ca -0.02 -1.60 -0.38 0.00 -0.87 0.00 0.00 58.31 55.45 1cza n LYS 176 Cb 0.50 -1.08 -0.06 0.00 0.02 0.00 0.00 35.03 34.40 1cza n LYS 176 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cza s ALA 177 N 0.44 3.51 0.70 3.14 0.00 -1.19 -4.30 121.76 124.07 1cza s ALA 177 Ca 0.27 -0.29 -0.15 0.00 0.00 0.00 0.00 51.96 51.79 1cza s ALA 177 Cb 0.25 -2.61 0.02 0.00 0.00 0.00 0.00 23.12 20.78 1cza s ALA 177 CO -0.16 -0.06 1.15 -1.54 0.00 0.00 0.00 175.76 175.15 1cza s SER 178 N 0.69 4.63 -0.85 0.00 1.04 -0.46 -3.61 113.70 115.14 1cza s SER 178 Ca 0.23 2.14 0.00 0.00 0.48 0.00 0.00 55.95 58.80 1cza s SER 178 Cb -0.15 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1cza s SER 178 CO 0.09 -1.96 0.00 0.61 0.98 0.00 0.00 173.24 172.96 1cza n GLY 179 N -0.16 0.93 0.03 7.32 0.00 -1.26 -0.53 105.19 111.52 1cza n GLY 179 Ca 0.12 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 1cza n GLY 179 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1cza n VAL 180 N -2.86 0.31 -1.74 1.61 0.31 -1.24 -4.82 118.33 109.90 1cza n VAL 180 Ca -0.08 -0.15 -0.42 0.00 -0.01 0.00 0.00 64.34 63.68 1cza n VAL 180 Cb 0.29 -0.78 -0.02 0.00 -0.91 0.00 0.00 33.84 32.42 1cza n VAL 180 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1cza s GLU 181 N -2.11 4.12 0.00 5.55 2.02 -1.26 -1.31 118.70 125.71 1cza s GLU 181 Ca -0.05 2.61 0.00 0.00 0.02 0.00 0.00 54.97 57.54 1cza s GLU 181 Cb 0.02 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.20 1cza s GLU 181 CO 0.15 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 175.14 1cza n GLY 182 N 3.10 0.82 3.51 -1.39 0.00 0.17 -4.97 105.19 106.43 1cza n GLY 182 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1cza n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cza s ALA 183 N -3.20 2.75 -0.34 4.61 0.00 -0.43 -4.85 121.76 120.30 1cza s ALA 183 Ca 0.00 -1.26 -0.29 0.00 0.00 0.00 0.00 51.96 50.41 1cza s ALA 183 Cb 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.36 1cza s ALA 183 CO 0.00 0.60 1.31 0.34 0.00 0.00 0.00 175.76 178.01 1cza s ASP 184 N -1.92 6.59 0.54 0.00 3.68 -1.26 -1.83 116.67 122.47 1cza s ASP 184 Ca 0.18 1.06 0.32 0.00 2.13 0.00 0.00 52.55 56.23 1cza s ASP 184 Cb -0.11 -2.54 1.39 0.00 -1.45 0.00 0.00 42.92 40.21 1cza s ASP 184 CO 0.10 -1.17 2.00 -0.37 0.13 0.00 0.00 175.17 175.85 1cza h VAL 185 N 6.10 0.19 -0.67 1.11 -1.51 -1.11 -1.53 116.25 118.83 1cza h VAL 185 Ca -0.26 -0.59 -0.05 0.00 -1.23 0.00 0.00 66.70 64.57 1cza h VAL 185 Cb 1.10 1.49 -0.03 0.00 -2.13 0.00 0.00 31.29 31.72 1cza h VAL 185 CO 1.05 0.06 0.24 0.58 -1.23 0.00 0.00 177.57 178.28 1cza h VAL 186 N 0.00 1.25 -0.32 7.19 2.07 -1.89 -0.21 116.25 124.34 1cza h VAL 186 Ca -0.00 -0.81 -0.12 0.00 0.82 0.00 0.00 66.70 66.59 1cza h VAL 186 Cb 0.49 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1cza h VAL 186 CO 0.01 0.32 -0.29 0.11 0.02 0.00 0.00 177.57 177.74 1cza h LYS 187 N 0.96 0.76 -0.34 1.57 1.57 -1.70 0.13 116.57 119.52 1cza h LYS 187 Ca 0.22 -0.39 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1cza h LYS 187 Cb 0.25 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1cza h LYS 187 CO -0.01 1.01 0.21 -0.07 -0.57 0.00 0.00 179.45 180.02 1cza h LEU 188 N 0.52 0.35 0.04 2.94 3.38 -1.16 0.12 115.31 121.49 1cza h LEU 188 Ca 0.05 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1cza h LEU 188 Cb 0.86 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1cza h LEU 188 CO 0.07 0.25 -0.02 0.25 0.09 0.00 0.00 178.44 179.09 1cza h LEU 189 N 0.43 -0.04 -0.79 1.67 5.85 -0.98 -1.18 115.31 120.27 1cza h LEU 189 Ca 0.13 -0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.92 1cza h LEU 189 Cb -0.02 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 40.94 1cza h LEU 189 CO -0.05 0.02 0.40 0.78 -0.34 0.00 0.00 178.44 179.25 1cza h ASN 190 N -0.10 0.50 -0.42 1.25 2.35 -0.36 -1.20 115.58 117.59 1cza h ASN 190 Ca -0.00 0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1cza h ASN 190 Cb 0.09 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 1cza h ASN 190 CO 0.01 0.24 0.23 0.50 -1.65 0.00 0.00 177.43 176.76 1cza h LYS 191 N 0.62 0.45 -0.44 0.81 3.64 -0.55 -0.91 116.57 120.18 1cza h LYS 191 Ca 0.41 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.69 1cza h LYS 191 Cb 0.52 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1cza h LYS 191 CO -0.32 0.30 -0.04 0.00 -2.27 0.00 0.00 179.45 177.12 1cza h ALA 192 N 1.21 1.10 -0.30 5.00 0.00 -0.10 -1.33 119.26 124.84 1cza h ALA 192 Ca 0.17 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1cza h ALA 192 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1cza h ALA 192 CO -0.10 0.57 -0.10 0.82 0.00 0.00 0.00 179.25 180.43 1cza h ILE 193 N 0.69 1.29 -0.22 0.00 2.04 -0.91 -2.70 117.51 117.70 1cza h ILE 193 Ca 0.13 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 1cza h ILE 193 Cb 0.48 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1cza h ILE 193 CO 0.02 0.37 0.13 0.50 0.00 0.00 0.00 178.15 179.17 1cza h LYS 194 N 0.36 0.30 -0.94 2.37 3.64 -1.03 -1.70 116.57 119.55 1cza h LYS 194 Ca 0.07 -0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.61 1cza h LYS 194 Cb 0.60 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.28 1cza h LYS 194 CO 0.04 0.25 0.60 -0.22 -2.27 0.00 0.00 179.45 177.85 1cza h LYS 195 N 0.25 0.56 -0.06 1.90 3.64 -1.17 -0.44 116.57 121.25 1cza h LYS 195 Ca 0.08 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1cza h LYS 195 Cb 0.04 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1cza h LYS 195 CO -0.01 0.37 0.03 0.00 -2.27 0.00 0.00 179.45 177.57 1cza h ARG 196 N 0.57 0.08 0.00 1.90 2.47 -0.98 -3.47 114.38 114.96 1cza h ARG 196 Ca 0.51 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.22 1cza h ARG 196 Cb 1.02 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 1cza h ARG 196 CO -0.25 0.14 0.00 0.41 0.56 0.00 0.00 179.97 180.83 1cza n GLY 197 N -0.89 0.61 0.06 0.04 0.00 -0.18 -4.91 105.19 99.93 1cza n GLY 197 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 1cza n GLY 197 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1cza h ASP 198 N 0.00 0.01 -4.93 1.61 -0.00 -1.86 -3.48 116.42 107.77 1cza h ASP 198 Ca 0.00 -0.01 0.10 0.00 -0.00 0.00 0.00 57.03 57.13 1cza h ASP 198 Cb 0.09 -0.00 -0.12 0.00 -0.00 0.00 0.00 39.33 39.30 1cza h ASP 198 CO 0.00 1.01 0.42 -0.72 -0.00 0.00 0.00 179.24 179.95 1cza s TYR 199 N -2.71 -0.30 0.06 0.28 -0.85 -1.26 -5.13 117.35 107.44 1cza s TYR 199 Ca 0.01 0.08 0.01 0.00 -0.52 0.00 0.00 57.07 56.65 1cza s TYR 199 Cb 0.10 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.98 1cza s TYR 199 CO 0.82 -0.73 0.13 -0.51 -1.52 0.00 0.00 175.55 173.74 1cza s ASP 200 N -2.69 5.89 -0.09 -0.18 1.01 -1.26 -4.85 116.67 114.49 1cza s ASP 200 Ca 0.07 0.12 -0.04 0.00 0.71 0.00 0.00 52.55 53.41 1cza s ASP 200 Cb -0.01 -1.70 0.05 0.00 1.01 0.00 0.00 42.92 42.27 1cza s ASP 200 CO -0.05 0.18 0.20 0.00 0.21 0.00 0.00 175.17 175.71 1cza s ALA 201 N -1.42 -0.39 -0.70 5.23 0.00 -1.26 -4.98 121.76 118.24 1cza s ALA 201 Ca 0.31 0.80 -0.15 0.00 0.00 0.00 0.00 51.96 52.92 1cza s ALA 201 Cb -0.13 -0.68 0.17 0.00 0.00 0.00 0.00 23.12 22.49 1cza s ALA 201 CO 0.24 -0.33 0.67 1.21 0.00 0.00 0.00 175.76 177.55 1cza s ASN 202 N 1.63 6.50 -0.65 0.00 2.47 -1.26 -5.03 114.94 118.60 1cza s ASN 202 Ca -0.05 -2.24 -0.27 0.00 0.42 0.00 0.00 52.86 50.71 1cza s ASN 202 Cb -0.11 -2.22 0.02 0.00 -1.45 0.00 0.00 41.25 37.49 1cza s ASN 202 CO -0.07 -0.74 1.32 -0.63 -3.72 0.00 0.00 177.10 173.27 1cza s ILE 203 N 0.97 3.79 -1.04 -5.21 1.01 -1.26 -0.86 121.20 118.59 1cza s ILE 203 Ca 0.12 0.58 0.19 0.00 0.00 0.00 0.00 60.65 61.55 1cza s ILE 203 Cb -0.19 -4.70 -0.18 0.00 0.01 0.00 0.00 42.46 37.40 1cza s ILE 203 CO -0.03 -1.52 0.84 1.33 0.00 0.00 0.00 174.94 175.56 1cza n VAL 204 N 6.61 0.00 -3.63 2.92 0.24 -0.23 -4.95 118.33 119.30 1cza n VAL 204 Ca 0.08 -0.09 -0.14 0.00 -2.04 0.00 0.00 64.34 62.15 1cza n VAL 204 Cb 0.49 1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 33.83 1cza n VAL 204 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cza s ALA 205 N -2.72 -1.78 -0.10 2.33 0.00 -1.22 -4.11 121.76 114.15 1cza s ALA 205 Ca 0.09 2.02 0.03 0.00 0.00 0.00 0.00 51.96 54.10 1cza s ALA 205 Cb 0.15 -1.17 0.01 0.00 0.00 0.00 0.00 23.12 22.10 1cza s ALA 205 CO 0.74 -0.34 -0.20 0.08 0.00 0.00 0.00 175.76 176.04 1cza s VAL 206 N 0.37 1.78 0.08 0.00 1.01 -0.63 -0.19 120.40 122.82 1cza s VAL 206 Ca -0.00 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.17 1cza s VAL 206 Cb -0.05 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1cza s VAL 206 CO 0.01 0.50 -0.11 0.68 0.00 0.00 0.00 175.10 176.18 1cza s VAL 207 N 0.60 0.91 0.75 2.92 -7.23 0.56 -4.89 120.40 114.01 1cza s VAL 207 Ca -0.14 -1.49 -0.11 0.00 -1.81 0.00 0.00 61.98 58.44 1cza s VAL 207 Cb -0.17 -1.18 0.04 0.00 0.56 0.00 0.00 36.38 35.63 1cza s VAL 207 CO 0.04 -0.47 1.08 0.21 -0.31 0.00 0.00 175.10 175.66 1cza s ASN 208 N -2.17 4.77 0.49 4.85 3.84 -1.26 -1.20 114.94 124.26 1cza s ASN 208 Ca 0.02 1.77 0.28 0.00 0.21 0.00 0.00 52.86 55.14 1cza s ASN 208 Cb -0.05 -2.51 1.15 0.00 -0.55 0.00 0.00 41.25 39.28 1cza s ASN 208 CO 0.00 -1.85 1.91 -2.24 -2.79 0.00 0.00 177.10 172.13 1cza h ASP 209 N -0.97 0.00 -0.35 -4.21 -0.00 -1.92 -2.06 116.42 106.91 1cza h ASP 209 Ca -0.44 0.00 -0.04 0.00 -0.00 0.00 0.00 57.03 56.56 1cza h ASP 209 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.54 1cza h ASP 209 CO 0.53 0.12 0.07 0.71 -0.00 0.00 0.00 179.24 180.67 1cza h THR 210 N 0.00 1.23 -0.69 1.15 1.35 -1.92 -0.42 112.91 113.61 1cza h THR 210 Ca -0.00 -0.79 -0.04 0.00 -0.55 0.00 0.00 66.41 65.03 1cza h THR 210 Cb 0.62 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 68.09 1cza h THR 210 CO 0.02 0.27 0.29 0.58 -0.25 0.00 0.00 175.52 176.42 1cza h VAL 211 N 0.41 1.24 -0.58 6.82 2.07 -1.78 -1.11 116.25 123.32 1cza h VAL 211 Ca 0.11 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 66.82 1cza h VAL 211 Cb 0.33 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1cza h VAL 211 CO 0.00 0.29 0.05 1.23 0.02 0.00 0.00 177.57 179.17 1cza h GLY 212 N 0.97 1.05 0.94 2.17 0.00 -1.08 -1.77 103.07 105.34 1cza h GLY 212 Ca 0.23 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 1cza h GLY 212 CO -0.02 0.65 0.12 -0.84 0.00 0.00 0.00 176.54 176.45 1cza h THR 213 N 0.91 1.22 -0.88 4.70 2.02 -0.74 0.16 112.91 120.29 1cza h THR 213 Ca 0.18 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 1cza h THR 213 Cb 0.45 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 1cza h THR 213 CO 0.02 0.25 0.47 -0.03 0.37 0.00 0.00 175.52 176.60 1cza h MET 214 N 0.49 1.24 -0.33 6.66 -1.53 -1.02 -0.52 114.93 119.93 1cza h MET 214 Ca 0.13 -0.15 -0.16 0.00 -3.44 0.00 0.00 59.70 56.07 1cza h MET 214 Cb 0.26 -0.24 -0.00 0.00 -0.55 0.00 0.00 31.60 31.07 1cza h MET 214 CO -0.00 0.91 -0.42 0.52 0.14 0.00 0.00 176.91 178.05 1cza h MET 215 N 1.24 0.87 -0.54 0.39 2.86 -1.06 0.24 114.93 118.93 1cza h MET 215 Ca 0.31 -0.50 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1cza h MET 215 Cb 0.05 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1cza h MET 215 CO -0.05 1.14 0.33 1.15 1.06 0.00 0.00 176.91 180.54 1cza h THR 216 N 0.67 1.16 0.01 2.22 2.02 -0.34 -0.94 112.91 117.71 1cza h THR 216 Ca 0.04 -0.37 -0.19 0.00 0.77 0.00 0.00 66.41 66.65 1cza h THR 216 Cb 1.02 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1cza h THR 216 CO 0.10 0.17 -0.90 0.00 0.37 0.00 0.00 175.52 175.26 1cza h GLY 218 N 2.40 0.00 1.34 0.00 0.00 -0.26 0.15 103.07 106.70 1cza h GLY 218 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1cza h GLY 218 CO 0.12 0.00 0.11 -1.82 0.00 0.00 0.00 176.54 174.95 1cza h TYR 219 N 0.00 0.86 0.01 5.60 5.03 -1.13 -3.19 116.97 124.14 1cza h TYR 219 Ca -0.00 -0.09 -0.29 0.00 2.58 0.00 0.00 58.73 60.93 1cza h TYR 219 Cb 0.85 -0.25 -0.04 0.00 1.55 0.00 0.00 36.73 38.83 1cza h TYR 219 CO 0.00 0.73 -1.64 -0.44 -1.32 0.00 0.00 178.16 175.49 1cza h ASP 220 N 0.80 0.04 -3.33 -2.11 3.32 -1.38 -3.46 116.42 110.30 1cza h ASP 220 Ca 0.17 -0.08 -0.53 0.00 0.02 0.00 0.00 57.03 56.62 1cza h ASP 220 Cb 0.32 -0.01 -0.39 0.00 0.22 0.00 0.00 39.33 39.47 1cza h ASP 220 CO 0.00 1.07 -0.77 -0.62 -1.72 0.00 0.00 179.24 177.20 1cza s ASP 221 N -6.24 2.87 0.00 6.45 -1.08 0.44 -5.00 116.67 114.09 1cza s ASP 221 Ca -0.05 -0.75 0.14 0.00 -0.52 0.00 0.00 52.55 51.36 1cza s ASP 221 Cb 0.08 -0.72 0.73 0.00 -1.46 0.00 0.00 42.92 41.56 1cza s ASP 221 CO 0.82 -0.26 1.36 0.00 0.52 0.00 0.00 175.17 177.61 1cza n GLN 222 N 4.98 0.24 -0.02 4.34 10.64 -1.26 -1.95 117.38 134.36 1cza n GLN 222 Ca -0.10 0.13 0.13 0.00 -1.83 0.00 0.00 57.00 55.33 1cza n GLN 222 Cb 0.47 -1.50 0.32 0.00 -0.86 0.00 0.00 30.24 28.67 1cza n GLN 222 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1cza n HIS 223 N -1.23 0.04 -2.04 2.61 8.25 -1.26 -4.93 115.22 116.66 1cza n HIS 223 Ca 0.07 -0.02 -0.42 0.00 -0.26 0.00 0.00 57.72 57.09 1cza n HIS 223 Cb 0.10 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 1cza n HIS 223 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cza n GLU 225 N 7.18 0.58 -3.97 0.00 1.02 -0.69 -4.85 120.64 119.90 1cza n GLU 225 Ca 0.17 -0.68 -0.13 0.00 -0.02 0.00 0.00 57.16 56.51 1cza n GLU 225 Cb 0.43 -0.79 -0.13 0.00 -0.02 0.00 0.00 31.44 30.93 1cza n GLU 225 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1cza s VAL 226 N -0.29 0.16 -0.11 2.62 1.01 -1.22 -1.94 120.40 120.63 1cza s VAL 226 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1cza s VAL 226 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.20 1cza s VAL 226 CO 0.00 -0.07 -0.23 -0.83 0.00 0.00 0.00 175.10 173.96 1cza s GLY 227 N -0.36 1.33 -0.05 4.51 0.00 -0.41 -1.16 107.32 111.17 1cza s GLY 227 Ca -0.03 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 43.74 1cza s GLY 227 CO -0.00 -0.24 -0.17 -2.27 0.00 0.00 0.00 173.10 170.42 1cza s LEU 228 N 0.48 1.89 -0.10 0.66 2.96 0.50 -0.50 118.68 124.57 1cza s LEU 228 Ca -0.16 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 53.43 1cza s LEU 228 Cb -0.17 -0.99 -0.00 0.00 0.50 0.00 0.00 46.19 45.53 1cza s LEU 228 CO 0.06 0.14 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.37 1cza s ILE 229 N 0.14 2.22 -0.43 6.68 -1.09 0.04 -1.48 121.20 127.28 1cza s ILE 229 Ca -0.06 -0.97 0.05 0.00 -2.23 0.00 0.00 60.65 57.44 1cza s ILE 229 Cb -0.12 -1.86 0.19 0.00 -1.58 0.00 0.00 42.46 39.09 1cza s ILE 229 CO 0.03 0.56 0.40 -0.38 -1.23 0.00 0.00 174.94 174.31 1cza n ILE 230 N 3.43 -0.85 0.00 2.92 5.41 -0.13 -2.19 119.36 127.94 1cza n ILE 230 Ca -0.19 -3.68 0.00 0.00 1.00 0.00 0.00 62.75 59.88 1cza n ILE 230 Cb 0.53 -1.76 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 1cza n ILE 230 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1cza n GLY 231 N 2.43 4.59 0.26 7.39 0.00 -1.26 -2.55 105.19 116.05 1cza n GLY 231 Ca 0.27 -0.80 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 1cza n GLY 231 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1cza h THR 232 N 0.00 0.35 -4.80 2.61 2.02 -1.94 0.82 112.91 111.97 1cza h THR 232 Ca 0.00 0.00 -0.42 0.00 0.77 0.00 0.00 66.41 66.76 1cza h THR 232 Cb 0.00 0.35 -0.07 0.00 -1.74 0.00 0.00 68.15 66.69 1cza h THR 232 CO 0.00 0.00 -0.28 0.61 0.37 0.00 0.00 175.52 176.22 1cza n GLY 233 N -1.41 3.59 2.98 2.16 0.00 -1.26 -1.98 105.19 109.26 1cza n GLY 233 Ca 0.05 -2.30 -0.14 0.00 0.00 0.00 0.00 46.02 43.63 1cza n GLY 233 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1cza s THR 234 N -2.10 0.37 0.07 2.61 -1.32 -1.26 -4.24 115.64 109.76 1cza s THR 234 Ca 0.04 -0.50 -0.27 0.00 -1.21 0.00 0.00 61.69 59.75 1cza s THR 234 Cb -0.00 -0.37 0.08 0.00 -1.51 0.00 0.00 72.50 70.70 1cza s THR 234 CO 0.03 -0.10 0.95 0.21 -2.21 0.00 0.00 174.62 173.50 1cza s ASN 235 N -0.65 -0.25 -0.05 8.08 2.47 -0.93 -3.91 114.94 119.71 1cza s ASN 235 Ca -0.03 -0.21 -0.12 0.00 0.42 0.00 0.00 52.86 52.91 1cza s ASN 235 Cb -0.05 0.42 0.02 0.00 -1.45 0.00 0.00 41.25 40.19 1cza s ASN 235 CO -0.00 -0.74 0.28 0.00 -3.72 0.00 0.00 177.10 172.92 1cza s ALA 236 N -3.15 -0.70 0.24 1.71 0.00 -1.26 -0.78 121.76 117.82 1cza s ALA 236 Ca 0.09 0.44 0.10 0.00 0.00 0.00 0.00 51.96 52.60 1cza s ALA 236 Cb -0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 1cza s ALA 236 CO -0.03 -0.21 -0.18 0.00 0.00 0.00 0.00 175.76 175.34 1cza s TYR 238 N -2.57 -0.21 -0.39 0.00 -0.85 -0.80 -1.29 117.35 111.24 1cza s TYR 238 Ca 0.25 -0.10 -0.26 0.00 -0.52 0.00 0.00 57.07 56.45 1cza s TYR 238 Cb -0.04 0.36 0.02 0.00 0.38 0.00 0.00 41.96 42.68 1cza s TYR 238 CO 0.11 -0.82 0.93 -1.64 -1.52 0.00 0.00 175.55 172.61 1cza s MET 239 N -3.83 3.77 0.24 -3.49 -1.94 -0.82 -0.68 119.30 112.56 1cza s MET 239 Ca 0.05 0.49 0.07 0.00 -1.71 0.00 0.00 55.69 54.59 1cza s MET 239 Cb 0.00 -3.83 -0.04 0.00 2.01 0.00 0.00 34.83 32.97 1cza s MET 239 CO -0.08 -1.02 0.19 -2.00 -0.01 0.00 0.00 175.02 172.10 1cza s GLU 240 N 3.56 2.93 0.23 2.03 2.56 -0.14 -4.89 118.70 124.99 1cza s GLU 240 Ca 0.38 -1.02 -0.29 0.00 0.00 0.00 0.00 54.97 54.04 1cza s GLU 240 Cb -0.11 -2.58 -0.09 0.00 2.00 0.00 0.00 34.13 33.35 1cza s GLU 240 CO 0.21 0.41 0.91 -1.21 -0.56 0.00 0.00 175.26 175.02 1cza s GLU 241 N -3.75 4.79 0.44 4.30 0.41 -1.26 -0.70 118.70 122.92 1cza s GLU 241 Ca 0.33 1.42 0.13 0.00 -0.41 0.00 0.00 54.97 56.43 1cza s GLU 241 Cb -0.08 -3.24 1.02 0.00 -1.78 0.00 0.00 34.13 30.04 1cza s GLU 241 CO 0.25 0.51 2.01 -0.07 -0.49 0.00 0.00 175.26 177.47 1cza h LEU 242 N 4.11 0.36 -1.52 1.80 -0.00 -1.07 -1.50 115.31 117.48 1cza h LEU 242 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.43 1cza h LEU 242 Cb 1.20 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 1cza h LEU 242 CO 0.67 0.23 0.00 0.08 -0.00 0.00 0.00 178.44 179.42 1cza h ARG 243 N 0.41 0.00 -0.01 1.13 0.11 -1.72 -2.11 114.38 112.18 1cza h ARG 243 Ca 0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.31 1cza h ARG 243 Cb 0.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.45 1cza h ARG 243 CO -0.06 0.00 -0.50 0.72 0.10 0.00 0.00 179.97 180.23 1cza n HIS 244 N -2.64 0.00 -3.35 4.08 8.25 -0.57 -4.69 115.22 116.29 1cza n HIS 244 Ca -0.00 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.00 1cza n HIS 244 Cb 0.18 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 1cza n HIS 244 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1cza s ILE 245 N -2.58 5.68 0.43 1.59 1.01 -0.79 -4.75 121.20 121.79 1cza s ILE 245 Ca 0.18 -2.86 0.12 0.00 0.00 0.00 0.00 60.65 58.09 1cza s ILE 245 Cb 0.18 -4.47 0.31 0.00 0.01 0.00 0.00 42.46 38.49 1cza s ILE 245 CO 0.61 -1.08 2.01 0.44 0.00 0.00 0.00 174.94 176.91 1cza h ASP 246 N 7.31 0.38 -0.15 3.58 5.19 -1.79 -2.16 116.42 128.78 1cza h ASP 246 Ca 0.13 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1cza h ASP 246 Cb 0.97 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.40 1cza h ASP 246 CO 0.85 0.24 0.00 0.18 -3.12 0.00 0.00 179.24 177.39 1cza n LEU 247 N -4.47 1.14 -4.09 1.55 4.77 -1.26 -4.69 117.00 109.94 1cza n LEU 247 Ca 0.08 -0.51 -0.31 0.00 -0.03 0.00 0.00 56.01 55.23 1cza n LEU 247 Cb 0.28 -0.10 -0.16 0.00 -2.33 0.00 0.00 43.42 41.11 1cza n LEU 247 CO 0.34 0.26 -0.51 -0.69 -1.33 0.00 0.00 177.39 175.45 1cza s VAL 248 N -1.80 1.84 0.23 4.08 1.01 -0.81 -5.09 120.40 119.85 1cza s VAL 248 Ca 0.25 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 1cza s VAL 248 Cb 0.13 -1.67 -0.10 0.00 0.00 0.00 0.00 36.38 34.73 1cza s VAL 248 CO 0.19 0.50 1.50 -0.70 0.00 0.00 0.00 175.10 176.60 1cza s GLU 249 N 1.23 4.23 0.00 2.72 2.56 -1.26 -4.85 118.70 123.33 1cza s GLU 249 Ca 0.01 2.35 0.00 0.00 0.00 0.00 0.00 54.97 57.34 1cza s GLU 249 Cb -0.14 -3.11 0.00 0.00 2.00 0.00 0.00 34.13 32.88 1cza s GLU 249 CO -0.09 -0.50 0.00 0.41 -0.56 0.00 0.00 175.26 174.52 1cza n GLY 250 N 2.67 3.67 0.00 -1.50 0.00 -1.26 -4.95 105.19 103.81 1cza n GLY 250 Ca 0.09 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1cza n GLY 250 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cza n ASP 251 N 0.00 1.14 -4.60 1.61 8.00 -1.26 -4.17 116.55 117.27 1cza n ASP 251 Ca 0.00 -1.23 -0.43 0.00 0.71 0.00 0.00 54.79 53.84 1cza n ASP 251 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1cza n ASP 251 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1cza s GLU 252 N -0.23 3.56 3.00 -1.24 4.04 -1.26 -3.97 118.70 122.60 1cza s GLU 252 Ca 0.00 0.81 0.00 0.00 0.04 0.00 0.00 54.97 55.82 1cza s GLU 252 Cb 0.00 -4.02 0.00 0.00 0.02 0.00 0.00 34.13 30.13 1cza s GLU 252 CO 0.00 -1.59 0.00 0.41 -1.84 0.00 0.00 175.26 172.24 1cza n GLY 253 N 5.07 -0.21 3.42 -3.83 0.00 -1.26 -4.66 105.19 103.72 1cza n GLY 253 Ca 0.15 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 1cza n GLY 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cza s ARG 254 N 0.00 1.53 -0.21 1.61 0.52 -1.26 -0.54 118.95 120.61 1cza s ARG 254 Ca 0.00 -1.78 -0.17 0.00 -0.52 0.00 0.00 55.73 53.26 1cza s ARG 254 Cb 0.00 -1.08 0.06 0.00 0.52 0.00 0.00 34.95 34.45 1cza s ARG 254 CO 0.00 0.01 0.53 1.41 0.02 0.00 0.00 175.30 177.27 1cza s MET 255 N -3.75 0.59 0.24 3.54 1.75 0.12 -4.54 119.30 117.26 1cza s MET 255 Ca 0.30 0.82 -0.30 0.00 -1.25 0.00 0.00 55.69 55.26 1cza s MET 255 Cb 0.04 0.22 -0.09 0.00 2.84 0.00 0.00 34.83 37.84 1cza s MET 255 CO 0.12 -0.10 1.30 0.00 -0.65 0.00 0.00 175.02 175.69 1cza s ILE 257 N -0.31 3.06 -0.43 0.00 -1.09 0.15 -2.41 121.20 120.17 1cza s ILE 257 Ca 0.54 -0.66 -0.20 0.00 -2.23 0.00 0.00 60.65 58.10 1cza s ILE 257 Cb -0.37 -2.29 0.02 0.00 -1.58 0.00 0.00 42.46 38.24 1cza s ILE 257 CO 0.42 0.52 0.61 0.21 -1.23 0.00 0.00 174.94 175.48 1cza s ASN 258 N 0.36 6.31 0.21 3.58 2.47 0.00 -1.90 114.94 125.97 1cza s ASN 258 Ca -0.11 -0.34 -0.04 0.00 0.42 0.00 0.00 52.86 52.79 1cza s ASN 258 Cb -0.16 -2.30 0.18 0.00 -1.45 0.00 0.00 41.25 37.51 1cza s ASN 258 CO 0.06 -0.73 1.62 0.71 -3.72 0.00 0.00 177.10 175.04 1cza h THR 259 N 5.83 1.27 -5.75 -5.21 1.35 -1.62 0.51 112.91 109.30 1cza h THR 259 Ca -0.26 -1.36 -0.34 0.00 -0.55 0.00 0.00 66.41 63.91 1cza h THR 259 Cb 1.10 1.24 0.14 0.00 -1.73 0.00 0.00 68.15 68.90 1cza h THR 259 CO 0.87 0.45 -0.83 -0.62 -0.25 0.00 0.00 175.52 175.14 1cza n GLU 260 N -4.11 -4.36 0.06 4.72 -0.58 -1.26 -2.44 120.64 112.67 1cza n GLU 260 Ca -0.00 0.76 0.10 0.00 -0.42 0.00 0.00 57.16 57.61 1cza n GLU 260 Cb 0.44 -5.53 0.43 0.00 -0.57 0.00 0.00 31.44 26.22 1cza n GLU 260 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1cza n TRP 261 N -3.89 0.40 0.21 -0.32 2.14 -1.26 -2.57 117.44 112.13 1cza n TRP 261 Ca -0.21 0.14 0.12 0.00 2.07 0.00 0.00 57.50 59.62 1cza n TRP 261 Cb 0.65 -0.73 0.69 0.00 -0.81 0.00 0.00 31.31 31.10 1cza n TRP 261 CO 0.00 0.00 0.00 0.78 2.07 0.00 0.00 177.69 180.54 1cza h GLY 262 N 3.03 0.00 0.11 -1.67 0.00 -1.90 -1.52 103.07 101.11 1cza h GLY 262 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cza h GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1cza n ALA 263 N -2.53 2.59 -1.72 3.60 0.00 -1.06 -2.16 120.51 119.24 1cza n ALA 263 Ca -0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 1cza n ALA 263 Cb 0.21 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 1cza n ALA 263 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1cza n PHE 264 N -0.37 2.75 -0.24 0.00 -0.00 -0.57 -1.78 117.46 117.24 1cza n PHE 264 Ca 0.17 0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.66 1cza n PHE 264 Cb 0.19 -2.68 0.00 0.00 -0.00 0.00 0.00 39.48 37.00 1cza n PHE 264 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1cza n GLY 265 N 3.97 0.70 0.23 7.13 0.00 -1.26 -2.22 105.19 113.73 1cza n GLY 265 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 1cza n GLY 265 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1cza h ASP 266 N 0.00 0.00 0.11 1.61 5.19 -1.65 -1.36 116.42 120.32 1cza h ASP 266 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1cza h ASP 266 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1cza h ASP 266 CO 0.00 0.00 -0.06 -0.90 -3.12 0.00 0.00 179.24 175.16 1cza n ASP 267 N -2.85 0.92 0.00 6.45 3.85 -1.26 -4.90 116.55 118.76 1cza n ASP 267 Ca 0.02 -1.10 0.00 0.00 -0.71 0.00 0.00 54.79 52.99 1cza n ASP 267 Cb 0.32 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.09 1cza n ASP 267 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1cza n GLY 268 N 1.19 0.93 0.00 6.12 0.00 -0.51 -5.00 105.19 107.92 1cza n GLY 268 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1cza n GLY 268 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cza n SER 269 N 0.00 0.00 -0.37 1.61 3.41 -1.24 -2.69 113.62 114.33 1cza n SER 269 Ca 0.00 -0.28 0.08 0.00 -0.26 0.00 0.00 58.87 58.42 1cza n SER 269 Cb 0.00 -0.21 0.18 0.00 -0.26 0.00 0.00 64.21 63.91 1cza n SER 269 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1cza n LEU 270 N -1.21 2.81 0.24 1.04 4.77 -1.26 -4.72 117.00 118.66 1cza n LEU 270 Ca 0.14 -3.23 0.10 0.00 -0.03 0.00 0.00 56.01 52.99 1cza n LEU 270 Cb 0.18 -0.48 0.58 0.00 -2.33 0.00 0.00 43.42 41.37 1cza n LEU 270 CO 0.19 0.83 0.88 -0.33 -1.33 0.00 0.00 177.39 177.63 1cza h GLU 271 N 0.55 0.00 0.00 3.23 4.39 -1.84 0.14 114.58 121.05 1cza h GLU 271 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1cza h GLU 271 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1cza h GLU 271 CO 0.07 0.20 0.00 -0.40 -1.16 0.00 0.00 179.01 177.72 1cza n ASP 272 N -3.65 0.48 -0.11 1.42 5.75 -1.26 -3.17 116.55 116.01 1cza n ASP 272 Ca -0.01 0.60 -0.13 0.00 -0.01 0.00 0.00 54.79 55.23 1cza n ASP 272 Cb 0.33 -0.71 -0.14 0.00 -1.03 0.00 0.00 41.12 39.57 1cza n ASP 272 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1cza n ILE 273 N -2.01 1.45 -2.35 2.12 2.08 -0.08 -4.99 119.36 115.59 1cza n ILE 273 Ca 0.04 -0.74 -0.38 0.00 0.56 0.00 0.00 62.75 62.23 1cza n ILE 273 Cb 0.26 -0.90 -0.02 0.00 -0.75 0.00 0.00 39.64 38.22 1cza n ILE 273 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1cza s ARG 274 N -2.51 4.09 0.52 0.38 0.52 -0.53 -4.90 118.95 116.53 1cza s ARG 274 Ca -0.20 1.77 0.06 0.00 -0.52 0.00 0.00 55.73 56.83 1cza s ARG 274 Cb 0.07 -2.66 0.02 0.00 0.52 0.00 0.00 34.95 32.90 1cza s ARG 274 CO 0.74 -0.27 0.36 0.95 0.02 0.00 0.00 175.30 177.10 1cza s THR 275 N -1.45 1.76 0.37 0.02 -4.23 -1.26 -4.96 115.64 105.89 1cza s THR 275 Ca 0.57 -1.52 0.06 0.00 -1.18 0.00 0.00 61.69 59.61 1cza s THR 275 Cb -0.29 -2.28 0.29 0.00 1.34 0.00 0.00 72.50 71.55 1cza s THR 275 CO 0.36 0.00 1.98 1.05 -0.54 0.00 0.00 174.62 177.47 1cza h GLU 276 N 0.86 0.71 -0.69 3.99 4.11 -1.99 -1.40 114.58 120.16 1cza h GLU 276 Ca -0.38 -0.04 -0.05 0.00 0.07 0.00 0.00 59.36 58.96 1cza h GLU 276 Cb 1.30 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1cza h GLU 276 CO 0.59 0.47 0.23 0.74 0.07 0.00 0.00 179.01 181.11 1cza h PHE 277 N 0.73 1.08 -0.47 2.06 0.04 -1.96 -1.35 116.94 117.06 1cza h PHE 277 Ca 0.28 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.92 1cza h PHE 277 Cb 0.18 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 1cza h PHE 277 CO -0.00 0.85 0.16 -0.44 -0.60 0.00 0.00 178.31 178.28 1cza h ASP 278 N 1.02 0.68 -0.69 2.17 3.32 -1.80 -0.89 116.42 120.23 1cza h ASP 278 Ca 0.23 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1cza h ASP 278 Cb 0.27 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1cza h ASP 278 CO -0.01 0.69 0.35 0.03 -1.72 0.00 0.00 179.24 178.58 1cza h ARG 279 N 0.63 1.00 -0.20 3.56 3.08 -0.89 -1.22 114.38 120.34 1cza h ARG 279 Ca 0.15 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1cza h ARG 279 Cb 0.24 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1cza h ARG 279 CO -0.01 0.76 -0.15 0.00 -1.07 0.00 0.00 179.97 179.50 1cza h ALA 280 N 1.39 0.29 -0.56 0.04 0.00 -1.02 -0.87 119.26 118.52 1cza h ALA 280 Ca 0.25 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1cza h ALA 280 Cb 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1cza h ALA 280 CO -0.03 0.18 -0.02 0.97 0.00 0.00 0.00 179.25 180.34 1cza h ILE 281 N 0.14 1.26 -0.26 0.00 2.10 -1.05 -2.62 117.51 117.07 1cza h ILE 281 Ca 0.04 -1.14 -0.02 0.00 1.08 0.00 0.00 64.86 64.82 1cza h ILE 281 Cb 0.68 0.85 -0.01 0.00 -1.09 0.00 0.00 36.82 37.25 1cza h ILE 281 CO 0.04 0.41 0.10 -0.78 -1.08 0.00 0.00 178.15 176.84 1cza h ASP 282 N 0.90 0.37 -0.92 2.19 -0.00 -1.17 -2.72 116.42 115.07 1cza h ASP 282 Ca 0.16 -0.18 0.03 0.00 -0.00 0.00 0.00 57.03 57.05 1cza h ASP 282 Cb 0.56 -0.10 -0.05 0.00 -0.00 0.00 0.00 39.33 39.74 1cza h ASP 282 CO 0.03 0.45 0.60 0.00 -0.00 0.00 0.00 179.24 180.32 1cza h ALA 283 N 0.94 1.22 -0.47 -0.78 0.00 -0.85 -2.22 119.26 117.09 1cza h ALA 283 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1cza h ALA 283 Cb 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1cza h ALA 283 CO -0.01 0.47 0.00 0.66 0.00 0.00 0.00 179.25 180.37 1cza n TYR 284 N -4.50 0.76 -2.08 0.00 4.02 -1.01 -4.74 117.16 109.60 1cza n TYR 284 Ca 0.12 -0.35 -0.26 0.00 -0.01 0.00 0.00 57.90 57.40 1cza n TYR 284 Cb 0.09 -0.06 0.17 0.00 -0.02 0.00 0.00 39.34 39.53 1cza n TYR 284 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1cza n SER 285 N 0.85 0.44 0.19 7.72 3.41 -0.84 -4.97 113.62 120.42 1cza n SER 285 Ca 0.17 -1.64 0.04 0.00 -0.26 0.00 0.00 58.87 57.17 1cza n SER 285 Cb 0.48 -0.87 0.43 0.00 -0.26 0.00 0.00 64.21 63.98 1cza n SER 285 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1cza h LEU 286 N 0.00 0.04 -5.71 1.04 3.38 -1.88 -3.35 115.31 108.83 1cza h LEU 286 Ca -0.38 -0.01 -0.56 0.00 0.09 0.00 0.00 57.88 57.01 1cza h LEU 286 Cb 1.14 -0.01 -0.41 0.00 0.09 0.00 0.00 40.66 41.47 1cza h LEU 286 CO 0.30 0.29 -0.81 -0.46 0.09 0.00 0.00 178.44 177.86 1cza n ASN 287 N -4.23 3.05 -4.64 -0.43 6.94 -1.26 -5.12 115.26 109.57 1cza n ASN 287 Ca -0.02 -3.38 -0.46 0.00 -0.02 0.00 0.00 54.58 50.70 1cza n ASN 287 Cb 0.31 -0.60 -0.03 0.00 -2.36 0.00 0.00 39.78 37.10 1cza n ASN 287 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 1cza n PRO 288 N 0.26 1.79 -0.04 -0.53 -0.02 -1.26 -2.13 135.00 133.07 1cza n PRO 288 Ca 0.28 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1cza n PRO 288 Cb 0.47 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1cza n PRO 288 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cza n GLY 289 N 2.17 2.00 3.40 -1.23 0.00 -1.26 -5.02 105.19 105.26 1cza n GLY 289 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1cza n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cza s LYS 290 N -0.31 1.54 -1.24 1.61 -0.14 -0.90 -4.68 119.74 115.62 1cza s LYS 290 Ca 0.00 -1.28 -0.01 0.00 -1.36 0.00 0.00 55.97 53.32 1cza s LYS 290 Cb 0.00 -1.96 0.00 0.00 -1.68 0.00 0.00 37.83 34.19 1cza s LYS 290 CO 0.00 0.47 0.97 1.04 -0.76 0.00 0.00 175.35 177.07 1cza n GLN 291 N 1.02 -6.49 -0.04 1.68 1.13 -1.26 -4.89 117.38 108.53 1cza n GLN 291 Ca -0.17 0.80 -0.10 0.00 -1.94 0.00 0.00 57.00 55.59 1cza n GLN 291 Cb 0.53 -5.75 0.04 0.00 0.11 0.00 0.00 30.24 25.17 1cza n GLN 291 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1cza h LEU 292 N -2.00 0.76 -0.21 1.08 3.38 -1.73 -1.52 115.31 115.07 1cza h LEU 292 Ca -0.59 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.01 1cza h LEU 292 Cb 1.35 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1cza h LEU 292 CO 0.52 1.09 0.08 0.15 0.09 0.00 0.00 178.44 180.37 1cza h PHE 293 N 0.57 0.33 -0.85 1.13 3.57 -1.10 -3.02 116.94 117.56 1cza h PHE 293 Ca 0.04 -0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.64 1cza h PHE 293 Cb 0.99 -0.10 -0.09 0.00 2.79 0.00 0.00 35.95 39.54 1cza h PHE 293 CO 0.05 0.38 0.46 1.49 -2.23 0.00 0.00 178.31 178.46 1cza h GLU 294 N 0.18 0.68 0.00 1.11 4.81 -1.16 0.20 114.58 120.40 1cza h GLU 294 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1cza h GLU 294 Cb 0.19 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1cza h GLU 294 CO -0.00 0.45 0.00 1.63 -0.73 0.00 0.00 179.01 180.35 1cza n LYS 295 N -4.82 0.10 0.00 1.92 5.02 -0.60 -0.97 118.16 118.82 1cza n LYS 295 Ca 0.16 0.41 0.12 0.00 -2.02 0.00 0.00 58.31 56.99 1cza n LYS 295 Cb 0.38 -1.73 0.24 0.00 -0.02 0.00 0.00 35.03 33.90 1cza n LYS 295 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1cza n MET 296 N -1.93 1.64 0.00 1.97 2.81 0.05 -4.68 117.12 116.98 1cza n MET 296 Ca 0.02 -1.21 0.00 0.00 -1.81 0.00 0.00 57.70 54.70 1cza n MET 296 Cb 0.16 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 1cza n MET 296 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1cza n VAL 297 N 0.38 0.00 -2.42 2.03 0.31 -0.42 -4.20 118.33 114.01 1cza n VAL 297 Ca 0.14 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.22 1cza n VAL 297 Cb 0.46 -0.78 0.05 0.00 -0.91 0.00 0.00 33.84 32.66 1cza n VAL 297 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1cza s SER 298 N -4.29 5.21 0.38 4.52 1.04 -0.14 -4.82 113.70 115.60 1cza s SER 298 Ca 0.00 0.40 0.06 0.00 0.48 0.00 0.00 55.95 56.89 1cza s SER 298 Cb 0.00 -1.24 0.75 0.00 0.10 0.00 0.00 66.02 65.63 1cza s SER 298 CO 0.00 -1.28 1.99 1.23 0.98 0.00 0.00 173.24 176.16 1cza h GLY 299 N -0.25 0.59 1.44 7.32 0.00 -0.89 -1.13 103.07 110.16 1cza h GLY 299 Ca -0.44 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 46.65 1cza h GLY 299 CO 0.58 0.25 0.32 1.98 0.00 0.00 0.00 176.54 179.67 1cza h MET 300 N 0.55 0.53 0.00 4.80 1.85 -1.54 -3.32 114.93 117.80 1cza h MET 300 Ca 0.14 -0.03 -0.04 0.00 -0.61 0.00 0.00 59.70 59.16 1cza h MET 300 Cb 0.08 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 31.98 1cza h MET 300 CO -0.02 0.35 -1.73 0.66 -0.40 0.00 0.00 176.91 175.78 1cza n TYR 301 N -4.47 0.00 -0.18 1.39 4.02 -0.50 -4.72 117.16 112.70 1cza n TYR 301 Ca 0.05 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.84 1cza n TYR 301 Cb 0.13 -0.40 0.01 0.00 -0.02 0.00 0.00 39.34 39.06 1cza n TYR 301 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1cza h LEU 302 N 0.00 0.92 -0.89 7.72 3.38 -1.46 -1.88 115.31 123.10 1cza h LEU 302 Ca -0.05 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 1cza h LEU 302 Cb 0.86 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1cza h LEU 302 CO 0.00 1.01 0.11 1.23 0.09 0.00 0.00 178.44 180.89 1cza h GLY 303 N 0.80 1.00 1.81 0.83 0.00 -1.78 -2.17 103.07 103.56 1cza h GLY 303 Ca 0.15 -0.62 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 1cza h GLY 303 CO 0.03 0.58 -0.35 -2.09 0.00 0.00 0.00 176.54 174.70 1cza h GLU 304 N 0.88 0.22 -0.16 4.80 4.57 -1.48 0.36 114.58 123.78 1cza h GLU 304 Ca 0.19 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1cza h GLU 304 Cb 0.36 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1cza h GLU 304 CO 0.01 0.55 0.03 -0.07 -1.18 0.00 0.00 179.01 178.35 1cza h LEU 305 N 0.19 0.26 0.30 1.64 3.38 -0.90 -0.43 115.31 119.74 1cza h LEU 305 Ca 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1cza h LEU 305 Cb 0.72 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1cza h LEU 305 CO 0.05 0.44 -0.30 0.58 0.09 0.00 0.00 178.44 179.30 1cza h VAL 306 N 0.06 0.37 -0.56 1.22 2.07 -1.03 -1.14 116.25 117.25 1cza h VAL 306 Ca 0.05 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.68 1cza h VAL 306 Cb 0.29 0.37 -0.09 0.00 -1.52 0.00 0.00 31.29 30.34 1cza h VAL 306 CO 0.00 0.00 0.05 -0.09 0.02 0.00 0.00 177.57 177.55 1cza h ARG 307 N -0.63 0.16 -1.01 1.57 2.43 -0.43 -0.50 114.38 115.98 1cza h ARG 307 Ca -0.01 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.24 1cza h ARG 307 Cb 0.57 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.01 1cza h ARG 307 CO -0.06 0.11 0.64 -0.07 -1.51 0.00 0.00 179.97 179.08 1cza h LEU 308 N 0.17 0.99 -0.49 3.80 3.38 -0.79 -0.60 115.31 121.77 1cza h LEU 308 Ca 0.29 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.16 1cza h LEU 308 Cb 0.44 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1cza h LEU 308 CO -0.43 0.59 -0.20 0.40 0.09 0.00 0.00 178.44 178.88 1cza h ILE 309 N 1.10 1.27 -0.53 1.22 2.04 0.10 -2.45 117.51 120.25 1cza h ILE 309 Ca 0.46 -1.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.91 1cza h ILE 309 Cb 0.31 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1cza h ILE 309 CO -0.22 0.47 0.14 -0.07 0.00 0.00 0.00 178.15 178.48 1cza h LEU 310 N 0.85 0.80 -0.02 1.44 3.38 -0.53 -1.79 115.31 119.44 1cza h LEU 310 Ca 0.11 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1cza h LEU 310 Cb 0.78 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1cza h LEU 310 CO 0.06 0.82 -0.15 0.58 0.09 0.00 0.00 178.44 179.84 1cza h VAL 311 N 0.74 0.63 -0.40 1.22 2.07 -1.07 0.75 116.25 120.19 1cza h VAL 311 Ca 0.17 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.73 1cza h VAL 311 Cb 0.32 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1cza h VAL 311 CO -0.00 0.00 0.18 0.50 0.02 0.00 0.00 177.57 178.27 1cza h LYS 312 N -0.24 0.35 -0.69 1.57 3.64 -1.30 -0.74 116.57 119.16 1cza h LYS 312 Ca 0.06 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1cza h LYS 312 Cb 0.31 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1cza h LYS 312 CO -0.16 0.23 0.43 0.52 -2.27 0.00 0.00 179.45 178.21 1cza h MET 313 N 0.37 0.82 -0.19 1.90 2.86 -1.15 -1.41 114.93 118.11 1cza h MET 313 Ca 0.18 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1cza h MET 313 Cb 0.12 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1cza h MET 313 CO -0.15 0.54 0.12 0.00 1.06 0.00 0.00 176.91 178.48 1cza h ALA 314 N 1.30 0.25 -0.47 6.32 0.00 -0.34 0.15 119.26 126.46 1cza h ALA 314 Ca 0.28 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.23 1cza h ALA 314 Cb 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1cza h ALA 314 CO -0.11 -0.25 0.32 0.87 0.00 0.00 0.00 179.25 180.08 1cza h LYS 315 N 0.24 0.32 -0.20 0.00 1.57 -0.73 0.37 116.57 118.14 1cza h LYS 315 Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1cza h LYS 315 Cb 0.01 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1cza h LYS 315 CO -0.01 0.21 0.00 0.39 -0.57 0.00 0.00 179.45 179.47 1cza n GLU 316 N -4.47 1.67 -1.18 3.15 1.02 -0.57 -4.92 120.64 115.34 1cza n GLU 316 Ca 0.07 -1.01 -0.06 0.00 -0.02 0.00 0.00 57.16 56.14 1cza n GLU 316 Cb 0.31 -1.34 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 1cza n GLU 316 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cza n GLY 317 N 1.06 0.82 0.07 0.62 0.00 0.13 -4.87 105.19 103.02 1cza n GLY 317 Ca 0.14 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.84 1cza n GLY 317 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cza n LEU 318 N -0.69 0.70 -4.06 0.99 4.77 0.46 -4.33 117.00 114.83 1cza n LEU 318 Ca -0.06 0.34 -0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1cza n LEU 318 Cb 0.26 -0.25 -0.11 0.00 -2.33 0.00 0.00 43.42 41.00 1cza n LEU 318 CO 0.09 -0.09 -0.39 -0.76 -1.33 0.00 0.00 177.39 174.92 1cza s LEU 319 N -4.21 2.29 -0.92 2.23 1.43 -1.22 -4.87 118.68 113.42 1cza s LEU 319 Ca 0.08 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1cza s LEU 319 Cb 0.13 -0.07 0.00 0.00 0.03 0.00 0.00 46.19 46.28 1cza s LEU 319 CO 0.67 -0.28 0.00 0.49 0.23 0.00 0.00 176.35 177.46 1cza n PHE 320 N 1.26 -1.44 -3.86 0.29 0.99 -1.26 -1.02 117.46 112.41 1cza n PHE 320 Ca -0.21 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 56.93 1cza n PHE 320 Cb 0.56 -2.50 -0.01 0.00 -1.00 0.00 0.00 39.48 36.53 1cza n PHE 320 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1cza n GLU 321 N -2.71 -3.63 -0.96 -1.08 1.02 -1.26 0.19 120.64 112.21 1cza n GLU 321 Ca -0.13 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 1cza n GLU 321 Cb 0.58 -5.19 0.00 0.00 -0.02 0.00 0.00 31.44 26.81 1cza n GLU 321 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cza n GLY 322 N -1.35 0.75 3.72 0.62 0.00 -0.19 -4.96 105.19 103.78 1cza n GLY 322 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1cza n GLY 322 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cza s ARG 323 N -0.14 4.25 -0.08 1.61 0.52 0.13 -4.77 118.95 120.47 1cza s ARG 323 Ca 0.00 2.28 -0.02 0.00 -0.52 0.00 0.00 55.73 57.47 1cza s ARG 323 Cb 0.00 -3.18 0.03 0.00 0.52 0.00 0.00 34.95 32.32 1cza s ARG 323 CO 0.00 -0.55 0.02 0.42 0.02 0.00 0.00 175.30 175.21 1cza s ILE 324 N 1.09 0.23 0.30 1.52 1.01 -1.26 -4.82 121.20 119.27 1cza s ILE 324 Ca 0.68 0.13 0.07 0.00 0.00 0.00 0.00 60.65 61.53 1cza s ILE 324 Cb -0.42 -0.47 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 1cza s ILE 324 CO 0.31 0.17 0.33 0.42 0.00 0.00 0.00 174.94 176.18 1cza s THR 325 N 2.03 4.18 0.36 2.92 -4.23 -1.26 -5.00 115.64 114.62 1cza s THR 325 Ca 0.04 -1.21 0.11 0.00 -1.18 0.00 0.00 61.69 59.46 1cza s THR 325 Cb -0.13 -3.41 0.09 0.00 1.34 0.00 0.00 72.50 70.39 1cza s THR 325 CO -0.05 -0.23 1.81 1.55 -0.54 0.00 0.00 174.62 177.15 1cza h PRO 326 N 1.19 0.07 -0.12 3.99 0.13 -1.97 -1.19 132.00 134.09 1cza h PRO 326 Ca -0.47 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1cza h PRO 326 Cb 1.25 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1cza h PRO 326 CO 0.58 0.42 0.04 0.93 -0.23 0.00 0.00 178.00 179.74 1cza h GLU 327 N 0.06 0.19 -0.97 0.86 3.07 -1.95 -0.65 114.58 115.19 1cza h GLU 327 Ca 0.01 -0.04 0.12 0.00 -0.50 0.00 0.00 59.36 58.94 1cza h GLU 327 Cb 0.67 -0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 28.46 1cza h GLU 327 CO 0.05 0.32 0.60 1.25 -1.40 0.00 0.00 179.01 179.82 1cza h LEU 328 N 0.03 0.87 0.00 1.33 5.85 -1.53 -0.52 115.31 121.34 1cza h LEU 328 Ca 0.04 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1cza h LEU 328 Cb 0.20 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1cza h LEU 328 CO -0.00 0.46 0.00 0.18 -0.34 0.00 0.00 178.44 178.74 1cza n LEU 329 N -4.65 0.00 -4.61 2.25 4.77 -0.50 -4.79 117.00 109.47 1cza n LEU 329 Ca 0.18 0.26 -0.43 0.00 -0.03 0.00 0.00 56.01 55.99 1cza n LEU 329 Cb 0.34 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1cza n LEU 329 CO 0.27 -0.04 0.86 -0.89 -1.33 0.00 0.00 177.39 176.25 1cza s THR 330 N -2.52 4.51 0.15 -5.08 2.01 -0.21 -5.00 115.64 109.51 1cza s THR 330 Ca 0.25 1.37 -0.34 0.00 0.31 0.00 0.00 61.69 63.28 1cza s THR 330 Cb 0.17 -4.39 -0.15 0.00 0.01 0.00 0.00 72.50 68.14 1cza s THR 330 CO 0.38 -0.58 1.42 -1.14 -0.69 0.00 0.00 174.62 174.01 1cza n ARG 331 N 6.94 1.69 -0.42 4.92 0.63 -1.26 -1.44 116.66 127.72 1cza n ARG 331 Ca 0.09 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.63 1cza n ARG 331 Cb 0.48 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 31.11 1cza n ARG 331 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1cza n GLY 332 N 2.74 1.49 0.21 5.14 0.00 -1.26 -4.90 105.19 108.61 1cza n GLY 332 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 1cza n GLY 332 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1cza h LYS 333 N 3.05 0.00 -4.86 1.61 1.63 -1.56 -3.39 116.57 113.05 1cza h LYS 333 Ca 0.00 0.00 -0.67 0.00 -0.85 0.00 0.00 60.65 59.13 1cza h LYS 333 Cb 0.00 0.00 -0.37 0.00 -0.60 0.00 0.00 32.23 31.26 1cza h LYS 333 CO 0.00 0.00 -0.79 0.12 -3.45 0.00 0.00 179.45 175.33 1cza s PHE 334 N -3.43 3.31 0.59 1.91 5.36 -1.26 -5.09 117.98 119.36 1cza s PHE 334 Ca 0.04 -2.38 0.08 0.00 -0.96 0.00 0.00 56.93 53.71 1cza s PHE 334 Cb 0.09 -2.00 0.09 0.00 -0.34 0.00 0.00 43.02 40.85 1cza s PHE 334 CO 0.54 -0.88 0.81 0.54 -1.46 0.00 0.00 175.22 174.77 1cza s ASN 335 N 1.09 5.02 0.41 6.13 6.03 -1.26 -3.24 114.94 129.11 1cza s ASN 335 Ca -0.08 -0.74 0.20 0.00 -1.03 0.00 0.00 52.86 51.21 1cza s ASN 335 Cb -0.20 0.19 0.88 0.00 -3.03 0.00 0.00 41.25 39.09 1cza s ASN 335 CO -0.05 -1.39 1.83 0.74 -2.03 0.00 0.00 177.10 176.20 1cza h THR 336 N 0.09 0.87 -0.74 0.54 2.02 -1.90 -1.40 112.91 112.39 1cza h THR 336 Ca -0.31 -1.22 -0.00 0.00 0.77 0.00 0.00 66.41 65.64 1cza h THR 336 Cb 1.28 1.74 -0.04 0.00 -1.74 0.00 0.00 68.15 69.40 1cza h THR 336 CO 0.41 0.30 0.45 0.28 0.37 0.00 0.00 175.52 177.33 1cza h SER 337 N 0.00 0.89 -0.56 4.18 0.02 -1.94 -0.27 113.55 115.87 1cza h SER 337 Ca -0.00 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 1cza h SER 337 Cb 0.71 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1cza h SER 337 CO 0.04 0.68 0.05 0.44 -1.14 0.00 0.00 176.83 176.90 1cza h ASP 338 N 1.02 0.95 -0.46 3.07 3.32 -1.65 0.05 116.42 122.72 1cza h ASP 338 Ca 0.27 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1cza h ASP 338 Cb -0.04 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1cza h ASP 338 CO -0.05 0.97 0.22 0.58 -1.72 0.00 0.00 179.24 179.24 1cza h VAL 339 N 0.92 1.18 -0.40 -1.35 2.07 -0.74 -0.81 116.25 117.11 1cza h VAL 339 Ca 0.18 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1cza h VAL 339 Cb 0.46 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1cza h VAL 339 CO 0.02 0.20 0.25 0.28 0.02 0.00 0.00 177.57 178.34 1cza h SER 340 N 0.60 0.42 -0.59 0.57 0.02 -0.87 -1.92 113.55 111.78 1cza h SER 340 Ca 0.16 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1cza h SER 340 Cb 0.12 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1cza h SER 340 CO -0.02 0.30 0.20 0.00 -1.14 0.00 0.00 176.83 176.18 1cza h ALA 341 N 1.17 0.77 0.00 3.77 0.00 -0.74 -2.41 119.26 121.81 1cza h ALA 341 Ca 0.16 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1cza h ALA 341 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1cza h ALA 341 CO -0.06 0.41 -0.21 0.82 0.00 0.00 0.00 179.25 180.22 1cza h ILE 342 N 0.82 1.10 -0.13 0.00 2.04 -1.00 -2.42 117.51 117.93 1cza h ILE 342 Ca 0.19 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1cza h ILE 342 Cb 0.25 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1cza h ILE 342 CO -0.01 0.20 0.00 -0.62 0.00 0.00 0.00 178.15 177.72 1cza n GLU 343 N -4.21 1.61 -1.89 2.37 1.02 -0.73 -4.32 120.64 114.48 1cza n GLU 343 Ca -0.02 -0.91 -0.40 0.00 -0.02 0.00 0.00 57.16 55.80 1cza n GLU 343 Cb 0.27 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1cza n GLU 343 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1cza s LYS 344 N -1.84 3.95 0.10 3.49 1.02 -0.91 -4.78 119.74 120.76 1cza s LYS 344 Ca 0.32 2.38 -0.33 0.00 0.02 0.00 0.00 55.97 58.37 1cza s LYS 344 Cb 0.17 -2.82 -0.13 0.00 -0.52 0.00 0.00 37.83 34.54 1cza s LYS 344 CO 0.26 -0.59 1.58 -0.97 -0.92 0.00 0.00 175.35 174.71 1cza h ASN 345 N 2.72 -1.33 0.22 2.83 -0.73 -1.91 -1.20 115.58 116.18 1cza h ASN 345 Ca -0.50 0.13 -0.34 0.00 1.87 0.00 0.00 56.30 57.46 1cza h ASN 345 Cb 1.25 0.48 -0.05 0.00 0.27 0.00 0.00 38.32 40.27 1cza h ASN 345 CO 0.63 -0.55 -2.05 1.17 -0.37 0.00 0.00 177.43 176.26 1cza n LYS 346 N -5.50 0.68 0.00 6.67 4.81 -1.26 -4.50 118.16 119.07 1cza n LYS 346 Ca -0.09 0.20 0.11 0.00 -0.87 0.00 0.00 58.31 57.66 1cza n LYS 346 Cb 0.41 -1.67 -0.00 0.00 0.02 0.00 0.00 35.03 33.78 1cza n LYS 346 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1cza n GLU 347 N -3.12 1.08 -0.16 1.64 0.00 -1.25 -4.64 120.64 114.18 1cza n GLU 347 Ca -0.29 -0.88 -0.09 0.00 0.00 0.00 0.00 57.16 55.90 1cza n GLU 347 Cb 1.07 -1.48 -0.03 0.00 0.00 0.00 0.00 31.44 30.99 1cza n GLU 347 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1cza h GLY 348 N 4.87 -0.44 1.34 -1.84 0.00 -1.38 0.18 103.07 105.81 1cza h GLY 348 Ca 0.00 0.53 -0.04 0.00 0.00 0.00 0.00 47.33 47.81 1cza h GLY 348 CO 0.00 -0.18 0.18 1.41 0.00 0.00 0.00 176.54 177.95 1cza h LEU 349 N -0.27 0.77 -0.16 3.11 3.38 -1.82 0.22 115.31 120.54 1cza h LEU 349 Ca 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1cza h LEU 349 Cb 0.57 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1cza h LEU 349 CO -0.62 0.72 0.06 -0.74 0.09 0.00 0.00 178.44 177.95 1cza h HIS 350 N 0.81 0.26 -0.83 1.13 2.76 -1.58 -1.19 115.15 116.50 1cza h HIS 350 Ca 0.19 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.34 1cza h HIS 350 Cb 0.23 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 1cza h HIS 350 CO 0.01 0.34 0.55 -0.91 -1.30 0.00 0.00 177.93 176.63 1cza h ASN 351 N 0.09 0.95 -0.64 3.26 2.35 -0.03 -2.08 115.58 119.50 1cza h ASN 351 Ca 0.05 -0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1cza h ASN 351 Cb 0.20 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.29 1cza h ASN 351 CO -0.00 0.69 0.36 0.00 -1.65 0.00 0.00 177.43 176.83 1cza h ALA 352 N 1.30 0.84 0.09 -0.83 0.00 -0.27 0.01 119.26 120.40 1cza h ALA 352 Ca 0.30 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1cza h ALA 352 Cb -0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1cza h ALA 352 CO -0.07 0.05 -0.14 -0.22 0.00 0.00 0.00 179.25 178.87 1cza h LYS 353 N 0.68 -0.27 0.32 0.00 3.64 -0.57 0.26 116.57 120.63 1cza h LYS 353 Ca 0.28 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1cza h LYS 353 Cb 0.14 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1cza h LYS 353 CO -0.16 -0.18 -0.16 0.93 -2.27 0.00 0.00 179.45 177.61 1cza h GLU 354 N -0.28 -0.42 0.03 1.90 5.08 -1.11 0.15 114.58 119.92 1cza h GLU 354 Ca 0.02 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1cza h GLU 354 Cb 0.30 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1cza h GLU 354 CO -0.07 -0.28 -0.32 0.82 -1.00 0.00 0.00 179.01 178.15 1cza h ILE 355 N -0.44 0.30 -0.60 3.13 2.04 -0.91 -1.53 117.51 119.50 1cza h ILE 355 Ca -0.04 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 1cza h ILE 355 Cb 0.34 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1cza h ILE 355 CO 0.07 0.00 0.14 -0.07 0.00 0.00 0.00 178.15 178.29 1cza h LEU 356 N -0.49 0.89 -0.78 1.44 3.38 -0.36 -2.36 115.31 117.02 1cza h LEU 356 Ca 0.05 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 57.96 1cza h LEU 356 Cb 0.57 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 1cza h LEU 356 CO -0.25 0.87 0.41 0.74 0.09 0.00 0.00 178.44 180.29 1cza h THR 357 N 0.90 0.83 0.00 0.22 2.02 -0.45 0.71 112.91 117.14 1cza h THR 357 Ca 0.19 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1cza h THR 357 Cb 0.33 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1cza h THR 357 CO 0.00 0.12 0.00 0.54 0.37 0.00 0.00 175.52 176.55 1cza n ARG 358 N -4.83 0.15 0.03 6.66 1.74 -0.60 -1.93 116.66 117.88 1cza n ARG 358 Ca 0.13 0.46 0.11 0.00 -0.77 0.00 0.00 57.85 57.78 1cza n ARG 358 Cb 0.32 -1.84 0.44 0.00 -1.02 0.00 0.00 32.46 30.37 1cza n ARG 358 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1cza n LEU 359 N -2.13 0.17 0.00 0.55 4.77 0.25 -4.80 117.00 115.80 1cza n LEU 359 Ca 0.01 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1cza n LEU 359 Cb 0.17 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1cza n LEU 359 CO 0.16 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 1cza n GLY 360 N 0.61 0.87 2.82 -0.72 0.00 -0.81 -3.77 105.19 104.18 1cza n GLY 360 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1cza n GLY 360 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1cza n VAL 361 N -1.40 0.00 -3.28 1.61 0.31 -1.22 -4.95 118.33 109.40 1cza n VAL 361 Ca 0.00 -0.83 -0.25 0.00 -0.01 0.00 0.00 64.34 63.25 1cza n VAL 361 Cb 0.00 -1.48 -0.08 0.00 -0.91 0.00 0.00 33.84 31.37 1cza n VAL 361 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1cza n GLU 362 N -2.87 0.94 -2.09 5.55 1.02 -1.26 -4.38 120.64 117.54 1cza n GLU 362 Ca 0.12 -3.47 -0.41 0.00 -0.02 0.00 0.00 57.16 53.38 1cza n GLU 362 Cb 0.42 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.35 1cza n GLU 362 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1cza s PRO 363 N -1.20 4.34 0.92 3.49 0.04 -1.26 -4.96 135.00 136.36 1cza s PRO 363 Ca 0.35 2.24 -0.14 0.00 0.04 0.00 0.00 61.00 63.49 1cza s PRO 363 Cb 0.14 -3.07 0.18 0.00 0.04 0.00 0.00 34.50 31.78 1cza s PRO 363 CO -0.11 -0.23 1.27 -1.54 0.04 0.00 0.00 177.00 176.43 1cza s SER 364 N -0.36 3.43 0.14 6.66 1.04 -1.26 -4.94 113.70 118.42 1cza s SER 364 Ca 0.50 0.30 -0.11 0.00 0.48 0.00 0.00 55.95 57.12 1cza s SER 364 Cb -0.40 -0.44 -0.05 0.00 0.10 0.00 0.00 66.02 65.23 1cza s SER 364 CO 0.52 -2.53 1.47 0.44 0.98 0.00 0.00 173.24 174.12 1cza h ASP 365 N -1.46 1.01 -0.25 7.02 3.32 -2.00 -2.33 116.42 121.72 1cza h ASP 365 Ca -0.44 -0.47 -0.04 0.00 0.02 0.00 0.00 57.03 56.10 1cza h ASP 365 Cb 1.25 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 1cza h ASP 365 CO 0.43 1.27 0.04 0.44 -1.72 0.00 0.00 179.24 179.70 1cza h ASP 366 N 0.76 0.48 -0.81 6.45 3.45 -2.00 -1.74 116.42 123.01 1cza h ASP 366 Ca 0.06 -0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.41 1cza h ASP 366 Cb 1.00 -0.12 -0.04 0.00 -0.56 0.00 0.00 39.33 39.61 1cza h ASP 366 CO 0.10 0.52 0.38 0.44 -1.57 0.00 0.00 179.24 179.11 1cza h ASP 367 N 0.50 1.08 -0.66 6.45 3.32 -1.82 -1.51 116.42 123.78 1cza h ASP 367 Ca 0.11 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1cza h ASP 367 Cb 0.26 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1cza h ASP 367 CO 0.00 0.92 0.30 0.00 -1.72 0.00 0.00 179.24 178.74 1cza h VAL 369 N 0.92 1.22 -0.12 0.00 2.07 -1.16 -0.95 116.25 118.23 1cza h VAL 369 Ca 0.23 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1cza h VAL 369 Cb 0.15 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1cza h VAL 369 CO -0.03 0.24 0.05 0.28 0.02 0.00 0.00 177.57 178.14 1cza h SER 370 N 0.36 0.15 -0.45 0.57 0.02 -1.04 -1.57 113.55 111.59 1cza h SER 370 Ca 0.10 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1cza h SER 370 Cb 0.28 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1cza h SER 370 CO 0.00 0.24 0.30 0.58 -1.14 0.00 0.00 176.83 176.81 1cza h VAL 371 N 0.06 1.12 -0.81 2.27 2.07 -0.98 -1.18 116.25 118.79 1cza h VAL 371 Ca 0.04 -0.21 0.09 0.00 0.82 0.00 0.00 66.70 67.44 1cza h VAL 371 Cb 0.13 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 1cza h VAL 371 CO -0.00 0.11 0.47 -0.61 0.02 0.00 0.00 177.57 177.55 1cza h GLN 372 N 0.61 0.78 -0.26 1.57 4.15 -1.08 0.24 115.11 121.11 1cza h GLN 372 Ca 0.16 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.45 1cza h GLN 372 Cb -0.07 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.43 1cza h GLN 372 CO -0.04 0.51 -0.21 1.25 -1.93 0.00 0.00 178.83 178.42 1cza h HIS 373 N 0.80 0.52 -0.58 3.99 2.76 -0.60 -0.60 115.15 121.45 1cza h HIS 373 Ca 0.38 -0.10 -0.08 0.00 -2.20 0.00 0.00 60.37 58.37 1cza h HIS 373 Cb 0.32 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 1cza h HIS 373 CO -0.06 0.66 0.05 0.28 -1.30 0.00 0.00 177.93 177.56 1cza h VAL 374 N 0.43 1.26 -0.41 5.26 2.07 -0.06 -1.77 116.25 123.03 1cza h VAL 374 Ca 0.07 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.54 1cza h VAL 374 Cb 0.61 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1cza h VAL 374 CO 0.04 0.38 0.27 0.00 0.02 0.00 0.00 177.57 178.28 1cza h THR 376 N 0.55 0.32 -0.87 0.00 2.02 -0.98 -0.10 112.91 113.85 1cza h THR 376 Ca 0.16 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 1cza h THR 376 Cb -0.05 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 66.65 1cza h THR 376 CO -0.04 0.00 0.45 0.40 0.37 0.00 0.00 175.52 176.70 1cza h ILE 377 N -0.38 1.26 -0.05 3.11 2.04 -1.13 0.23 117.51 122.59 1cza h ILE 377 Ca 0.09 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 1cza h ILE 377 Cb 0.52 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1cza h ILE 377 CO -0.33 0.30 -0.02 0.58 0.00 0.00 0.00 178.15 178.68 1cza h VAL 378 N 1.23 1.32 -0.06 1.67 2.07 -1.19 -1.15 116.25 120.15 1cza h VAL 378 Ca 0.30 -0.99 -0.12 0.00 0.82 0.00 0.00 66.70 66.71 1cza h VAL 378 Cb 0.06 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1cza h VAL 378 CO -0.04 0.27 -0.51 0.77 0.02 0.00 0.00 177.57 178.07 1cza h SER 379 N -0.28 0.16 0.19 0.57 4.64 -0.91 -2.35 113.55 115.57 1cza h SER 379 Ca 0.01 -0.08 -0.19 0.00 -0.47 0.00 0.00 61.79 61.06 1cza h SER 379 Cb 0.44 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1cza h SER 379 CO 0.01 0.65 -0.73 0.15 -0.87 0.00 0.00 176.83 176.03 1cza h PHE 380 N 0.12 0.63 -0.73 4.77 -0.00 -0.51 -2.37 116.94 118.85 1cza h PHE 380 Ca 0.00 -0.28 -0.01 0.00 -0.00 0.00 0.00 57.97 57.69 1cza h PHE 380 Cb 0.95 -0.10 -0.04 0.00 -0.00 0.00 0.00 35.95 36.77 1cza h PHE 380 CO 0.01 1.05 0.43 -0.09 -0.00 0.00 0.00 178.31 179.71 1cza h ARG 381 N 0.32 1.00 -0.14 1.11 2.43 -1.04 -0.27 114.38 117.79 1cza h ARG 381 Ca -0.03 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1cza h ARG 381 Cb 1.32 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 1cza h ARG 381 CO 0.13 0.72 -0.04 1.03 -1.51 0.00 0.00 179.97 180.31 1cza h SER 382 N 1.00 -0.13 -0.72 -3.80 0.87 -1.24 0.13 113.55 109.66 1cza h SER 382 Ca 0.26 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.89 1cza h SER 382 Cb -0.01 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 1cza h SER 382 CO -0.05 -0.05 0.46 0.00 -0.53 0.00 0.00 176.83 176.66 1cza h ALA 383 N 1.14 0.93 -0.34 6.23 0.00 -0.88 -1.76 119.26 124.57 1cza h ALA 383 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1cza h ALA 383 Cb 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1cza h ALA 383 CO -0.15 0.27 0.21 -0.91 0.00 0.00 0.00 179.25 178.67 1cza h ASN 384 N 0.91 0.36 -0.37 0.00 -0.26 -0.84 -0.19 115.58 115.19 1cza h ASN 384 Ca 0.28 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.01 1cza h ASN 384 Cb -0.03 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.13 1cza h ASN 384 CO -0.09 0.26 0.19 -0.07 -1.06 0.00 0.00 177.43 176.66 1cza h LEU 385 N 0.43 0.47 -1.21 1.61 3.38 -0.58 -1.43 115.31 117.99 1cza h LEU 385 Ca 0.13 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1cza h LEU 385 Cb -0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1cza h LEU 385 CO -0.05 0.43 -0.28 0.58 0.09 0.00 0.00 178.44 179.21 1cza h VAL 386 N 0.46 1.24 -0.54 1.22 2.07 -1.25 -1.89 116.25 117.57 1cza h VAL 386 Ca 0.13 -1.15 -0.08 0.00 0.82 0.00 0.00 66.70 66.42 1cza h VAL 386 Cb 0.08 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1cza h VAL 386 CO -0.02 0.34 0.02 0.00 0.02 0.00 0.00 177.57 177.94 1cza h ALA 387 N 1.55 1.03 -0.22 1.67 0.00 -0.75 0.12 119.26 122.66 1cza h ALA 387 Ca 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1cza h ALA 387 Cb 0.59 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1cza h ALA 387 CO 0.04 0.61 0.07 0.00 0.00 0.00 0.00 179.25 179.97 1cza h ALA 388 N 1.19 0.29 -0.24 0.00 0.00 -0.81 0.15 119.26 119.83 1cza h ALA 388 Ca 0.16 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1cza h ALA 388 Cb 0.46 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1cza h ALA 388 CO 0.02 -0.09 -0.35 1.79 0.00 0.00 0.00 179.25 180.62 1cza h THR 389 N 0.19 1.31 -0.90 0.00 1.35 -1.19 -2.48 112.91 111.21 1cza h THR 389 Ca 0.07 -1.55 0.01 0.00 -0.55 0.00 0.00 66.41 64.39 1cza h THR 389 Cb 0.23 1.73 -0.05 0.00 -1.73 0.00 0.00 68.15 68.33 1cza h THR 389 CO -0.00 0.49 0.59 0.25 -0.25 0.00 0.00 175.52 176.60 1cza h LEU 390 N 0.38 1.02 -1.11 3.87 5.85 -0.78 -2.45 115.31 122.09 1cza h LEU 390 Ca 0.02 -0.02 0.17 0.00 0.84 0.00 0.00 57.88 58.89 1cza h LEU 390 Cb 0.94 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.63 1cza h LEU 390 CO 0.08 0.74 0.61 1.23 -0.34 0.00 0.00 178.44 180.76 1cza h GLY 391 N 1.20 1.55 0.93 3.75 0.00 -0.49 -0.34 103.07 109.68 1cza h GLY 391 Ca 0.33 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1cza h GLY 391 CO -0.08 0.03 0.11 0.00 0.00 0.00 0.00 176.54 176.60 1cza h ALA 392 N 1.60 0.29 0.04 3.60 0.00 -0.98 -1.12 119.26 122.70 1cza h ALA 392 Ca 0.53 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.36 1cza h ALA 392 Cb 0.79 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1cza h ALA 392 CO -0.30 -0.15 -0.07 0.82 0.00 0.00 0.00 179.25 179.55 1cza h ILE 393 N 0.24 0.82 -0.85 0.00 2.04 -1.13 -1.41 117.51 117.21 1cza h ILE 393 Ca 0.08 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.97 1cza h ILE 393 Cb 0.11 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1cza h ILE 393 CO -0.01 0.00 0.56 -0.07 0.00 0.00 0.00 178.15 178.63 1cza h LEU 394 N -0.15 0.93 -0.98 1.44 3.38 -0.75 -0.84 115.31 118.35 1cza h LEU 394 Ca 0.02 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1cza h LEU 394 Cb 0.16 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1cza h LEU 394 CO -0.05 0.65 0.02 0.78 0.09 0.00 0.00 178.44 179.92 1cza h ASN 395 N 1.08 0.72 -0.15 -0.43 2.35 -1.07 -0.17 115.58 117.91 1cza h ASN 395 Ca 0.33 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1cza h ASN 395 Cb -0.01 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1cza h ASN 395 CO -0.09 0.78 0.08 -0.09 -1.65 0.00 0.00 177.43 176.45 1cza h ARG 396 N 0.71 0.21 -0.67 0.81 2.43 -0.72 0.73 114.38 117.88 1cza h ARG 396 Ca 0.14 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1cza h ARG 396 Cb 0.41 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1cza h ARG 396 CO 0.02 0.22 0.33 -0.07 -1.51 0.00 0.00 179.97 178.95 1cza h LEU 397 N 0.14 0.87 -0.18 3.80 3.38 -0.73 -1.41 115.31 121.18 1cza h LEU 397 Ca 0.05 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1cza h LEU 397 Cb 0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1cza h LEU 397 CO -0.01 0.75 0.03 -0.09 0.09 0.00 0.00 178.44 179.21 1cza h ARG 398 N 0.92 0.09 -0.77 1.13 2.43 -0.72 -1.42 114.38 116.05 1cza h ARG 398 Ca 0.23 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.48 1cza h ARG 398 Cb 0.11 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 1cza h ARG 398 CO -0.03 0.06 0.43 -0.44 -1.51 0.00 0.00 179.97 178.48 1cza h ASP 399 N 0.10 0.62 -0.35 -3.80 3.45 -0.58 -1.25 116.42 114.61 1cza h ASP 399 Ca 0.08 0.04 -0.07 0.00 0.43 0.00 0.00 57.03 57.52 1cza h ASP 399 Cb 0.08 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 1cza h ASP 399 CO -0.12 0.37 -0.02 0.78 -1.57 0.00 0.00 179.24 178.68 1cza h ASN 400 N 0.75 0.70 1.06 6.45 2.35 -0.84 -3.09 115.58 122.95 1cza h ASN 400 Ca 0.36 -0.17 -0.18 0.00 -0.55 0.00 0.00 56.30 55.76 1cza h ASN 400 Cb 0.30 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1cza h ASN 400 CO -0.23 0.78 -0.88 0.11 -1.65 0.00 0.00 177.43 175.56 1cza h LYS 401 N 0.68 0.00 -0.16 0.81 1.57 -0.94 -3.48 116.57 115.05 1cza h LYS 401 Ca 0.13 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1cza h LYS 401 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1cza h LYS 401 CO 0.02 0.88 -0.04 0.41 -0.57 0.00 0.00 179.45 180.14 1cza n GLY 402 N 1.23 0.45 3.74 3.86 0.00 -0.50 -5.06 105.19 108.91 1cza n GLY 402 Ca 0.00 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 1cza n GLY 402 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cza s THR 403 N -2.08 3.38 0.16 2.61 -4.23 -1.25 -5.04 115.64 109.19 1cza s THR 403 Ca 0.00 -1.67 -0.13 0.00 -1.18 0.00 0.00 61.69 58.71 1cza s THR 403 Cb 0.00 -3.03 0.04 0.00 1.34 0.00 0.00 72.50 70.85 1cza s THR 403 CO 0.00 -0.25 1.70 -0.65 -0.54 0.00 0.00 174.62 174.88 1cza h PRO 404 N 1.59 0.79 -6.53 3.99 0.11 -1.96 -3.44 132.00 126.54 1cza h PRO 404 Ca -0.45 -0.15 -0.64 0.00 0.11 0.00 0.00 66.00 64.87 1cza h PRO 404 Cb 1.25 -0.12 -0.16 0.00 0.11 0.00 0.00 31.00 32.08 1cza h PRO 404 CO 0.62 0.71 -0.75 1.03 -0.21 0.00 0.00 178.00 179.39 1cza s ARG 405 N -5.50 1.95 -0.13 1.05 0.52 -1.26 -4.91 118.95 110.67 1cza s ARG 405 Ca -0.13 -1.25 -0.02 0.00 -0.52 0.00 0.00 55.73 53.81 1cza s ARG 405 Cb 0.12 -2.13 -0.03 0.00 0.52 0.00 0.00 34.95 33.43 1cza s ARG 405 CO 0.78 0.45 -0.06 -1.17 0.02 0.00 0.00 175.30 175.32 1cza s LEU 406 N -2.60 3.15 -0.16 2.53 2.96 -0.78 -5.00 118.68 118.76 1cza s LEU 406 Ca 0.23 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1cza s LEU 406 Cb -0.09 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.88 1cza s LEU 406 CO 0.13 0.22 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.58 1cza s ARG 407 N 0.06 3.02 0.17 1.98 3.52 -1.26 0.89 118.95 127.33 1cza s ARG 407 Ca -0.01 -0.83 -0.21 0.00 -0.13 0.00 0.00 55.73 54.55 1cza s ARG 407 Cb -0.14 -2.53 0.05 0.00 -1.56 0.00 0.00 34.95 30.78 1cza s ARG 407 CO 0.03 -0.12 0.57 -0.08 -0.81 0.00 0.00 175.30 174.89 1cza s THR 408 N 1.08 0.01 -0.07 4.11 -1.32 -0.85 -4.99 115.64 113.61 1cza s THR 408 Ca -0.00 -0.29 0.05 0.00 -1.21 0.00 0.00 61.69 60.23 1cza s THR 408 Cb -0.14 -1.21 -0.01 0.00 -1.51 0.00 0.00 72.50 69.63 1cza s THR 408 CO -0.08 -0.06 -0.23 -0.89 -2.21 0.00 0.00 174.62 171.15 1cza s THR 409 N -3.79 2.21 -0.26 5.08 2.01 -0.66 -1.64 115.64 118.59 1cza s THR 409 Ca 0.03 -1.00 -0.09 0.00 0.31 0.00 0.00 61.69 60.94 1cza s THR 409 Cb -0.01 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 1cza s THR 409 CO -0.09 0.56 0.13 -0.69 -0.69 0.00 0.00 174.62 173.84 1cza s VAL 410 N -0.02 4.85 0.02 3.82 1.01 0.21 -1.71 120.40 128.58 1cza s VAL 410 Ca -0.07 0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.66 1cza s VAL 410 Cb -0.15 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1cza s VAL 410 CO 0.05 0.31 0.78 -0.83 0.00 0.00 0.00 175.10 175.41 1cza s GLY 411 N 1.57 2.78 0.02 4.51 0.00 -0.31 -0.97 107.32 114.92 1cza s GLY 411 Ca 0.06 0.29 0.05 0.00 0.00 0.00 0.00 44.72 45.12 1cza s GLY 411 CO 0.07 1.19 -0.15 0.14 0.00 0.00 0.00 173.10 174.35 1cza s VAL 412 N 0.23 1.16 0.28 1.40 1.01 -0.46 -0.37 120.40 123.65 1cza s VAL 412 Ca 0.40 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 1cza s VAL 412 Cb -0.20 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 1cza s VAL 412 CO 0.23 0.14 0.39 -0.62 0.00 0.00 0.00 175.10 175.23 1cza s ASP 413 N -0.85 0.42 0.00 3.32 -1.08 -0.55 -0.65 116.67 117.28 1cza s ASP 413 Ca 0.04 -1.28 0.00 0.00 -0.52 0.00 0.00 52.55 50.79 1cza s ASP 413 Cb -0.07 0.57 0.00 0.00 -1.46 0.00 0.00 42.92 41.96 1cza s ASP 413 CO 0.01 -1.13 0.00 0.61 0.52 0.00 0.00 175.17 175.18 1cza n GLY 414 N -0.44 4.05 0.32 2.66 0.00 -1.26 -0.96 105.19 109.56 1cza n GLY 414 Ca 0.01 -1.39 -0.06 0.00 0.00 0.00 0.00 46.02 44.58 1cza n GLY 414 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1cza h SER 415 N 0.00 0.98 -0.00 1.61 0.02 -1.87 -1.20 113.55 113.09 1cza h SER 415 Ca 0.00 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1cza h SER 415 Cb 0.00 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.28 1cza h SER 415 CO 0.00 0.94 0.00 0.25 -1.14 0.00 0.00 176.83 176.88 1cza h LEU 416 N 1.00 0.00 -0.80 5.07 5.85 -1.80 0.22 115.31 124.86 1cza h LEU 416 Ca 0.21 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1cza h LEU 416 Cb 0.33 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1cza h LEU 416 CO -0.00 0.21 0.52 0.22 -0.34 0.00 0.00 178.44 179.05 1cza h TYR 417 N -0.21 1.02 -0.01 1.25 3.20 -1.36 -1.88 116.97 118.98 1cza h TYR 417 Ca 0.00 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.73 1cza h TYR 417 Cb 0.21 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 1cza h TYR 417 CO -0.00 0.65 -0.73 0.87 -1.64 0.00 0.00 178.16 177.31 1cza h LYS 418 N 1.09 0.09 0.00 1.82 1.57 -1.03 -3.40 116.57 116.71 1cza h LYS 418 Ca 0.29 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1cza h LYS 418 Cb -0.11 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1cza h LYS 418 CO -0.06 0.78 -1.54 0.25 -0.57 0.00 0.00 179.45 178.30 1cza n THR 419 N -3.72 0.09 -2.25 -0.16 -2.24 0.05 -4.97 114.28 101.08 1cza n THR 419 Ca -0.02 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 1cza n THR 419 Cb 0.71 0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 1cza n THR 419 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1cza s HIS 420 N -2.72 3.25 -0.05 4.78 5.04 -0.71 -4.91 115.29 119.97 1cza s HIS 420 Ca -0.04 1.50 0.27 0.00 -1.54 0.00 0.00 55.06 55.25 1cza s HIS 420 Cb 0.07 -3.54 0.89 0.00 0.04 0.00 0.00 32.58 30.04 1cza s HIS 420 CO 0.47 -1.40 1.81 -1.00 -2.34 0.00 0.00 174.74 172.27 1cza h PRO 421 N 3.69 0.00 0.00 2.88 0.13 -1.90 -3.35 132.00 133.46 1cza h PRO 421 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1cza h PRO 421 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1cza h PRO 421 CO 0.67 0.09 -0.70 1.04 -0.23 0.00 0.00 178.00 178.87 1cza n GLN 422 N -3.17 1.90 -0.01 0.86 1.13 -1.26 -4.92 117.38 111.90 1cza n GLN 422 Ca 0.01 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.96 1cza n GLN 422 Cb 0.43 -0.84 -0.05 0.00 0.11 0.00 0.00 30.24 29.88 1cza n GLN 422 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 1cza h TYR 423 N 0.00 0.14 -0.78 1.08 3.20 -1.91 -2.53 116.97 116.17 1cza h TYR 423 Ca 0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1cza h TYR 423 Cb 0.00 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 1cza h TYR 423 CO 0.00 0.14 0.36 0.66 -1.64 0.00 0.00 178.16 177.68 1cza h SER 424 N 0.10 1.04 -0.60 -2.11 4.64 -1.81 0.98 113.55 115.78 1cza h SER 424 Ca 0.04 -0.15 0.06 0.00 -0.47 0.00 0.00 61.79 61.28 1cza h SER 424 Cb 0.05 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 61.81 1cza h SER 424 CO -0.01 0.90 0.30 -0.09 -0.87 0.00 0.00 176.83 177.06 1cza h ARG 425 N 1.11 0.54 -0.31 4.77 2.43 -1.90 0.10 114.38 121.12 1cza h ARG 425 Ca 0.27 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.27 1cza h ARG 425 Cb 0.15 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1cza h ARG 425 CO -0.03 0.36 -0.34 0.00 -1.51 0.00 0.00 179.97 178.45 1cza h ARG 426 N 0.55 0.79 0.09 0.20 3.08 -0.97 -2.13 114.38 115.99 1cza h ARG 426 Ca 0.28 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1cza h ARG 426 Cb 0.22 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1cza h ARG 426 CO -0.20 1.05 -0.04 0.35 -1.07 0.00 0.00 179.97 180.06 1cza h PHE 427 N 0.55 -0.12 -0.32 3.04 3.04 -0.52 -1.06 116.94 121.57 1cza h PHE 427 Ca 0.05 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.06 1cza h PHE 427 Cb 0.92 0.04 -0.06 0.00 2.56 0.00 0.00 35.95 39.41 1cza h PHE 427 CO 0.07 -0.07 -0.06 0.45 -2.02 0.00 0.00 178.31 176.68 1cza h HIS 428 N -0.13 -0.14 -0.69 0.41 3.86 -0.68 -0.36 115.15 117.42 1cza h HIS 428 Ca -0.01 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1cza h HIS 428 Cb 0.10 0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 1cza h HIS 428 CO -0.07 -0.12 0.41 -0.22 0.86 0.00 0.00 177.93 178.79 1cza h LYS 429 N 0.02 0.94 -0.34 2.45 3.64 -1.14 -0.62 116.57 121.52 1cza h LYS 429 Ca 0.15 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1cza h LYS 429 Cb 0.23 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1cza h LYS 429 CO -0.31 0.67 0.02 1.15 -2.27 0.00 0.00 179.45 178.71 1cza h THR 430 N 0.94 1.25 -0.08 1.00 2.02 -0.99 -1.44 112.91 115.62 1cza h THR 430 Ca 0.25 -0.91 0.04 0.00 0.77 0.00 0.00 66.41 66.55 1cza h THR 430 Cb -0.03 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 1cza h THR 430 CO -0.05 0.30 -0.22 0.25 0.37 0.00 0.00 175.52 176.18 1cza h LEU 431 N 0.40 -0.66 -1.29 2.58 5.85 -0.89 0.11 115.31 121.42 1cza h LEU 431 Ca 0.10 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1cza h LEU 431 Cb 0.41 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1cza h LEU 431 CO 0.01 -0.27 -0.06 0.03 -0.34 0.00 0.00 178.44 177.81 1cza h ARG 432 N -0.30 0.41 -0.24 1.25 3.08 -0.94 -1.67 114.38 115.96 1cza h ARG 432 Ca 0.08 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1cza h ARG 432 Cb 0.42 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1cza h ARG 432 CO -0.25 0.49 -0.42 -0.09 -1.07 0.00 0.00 179.97 178.63 1cza h ARG 433 N 0.39 0.57 0.00 0.04 2.43 -0.43 -3.16 114.38 114.23 1cza h ARG 433 Ca 0.08 -0.30 -0.12 0.00 -0.81 0.00 0.00 59.98 58.84 1cza h ARG 433 Cb 0.36 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1cza h ARG 433 CO 0.02 0.89 -0.56 -0.07 -1.51 0.00 0.00 179.97 178.73 1cza h LEU 434 N 0.47 0.00 -6.46 3.80 3.38 -0.35 -3.34 115.31 112.80 1cza h LEU 434 Ca 0.04 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.41 1cza h LEU 434 Cb 0.92 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.26 1cza h LEU 434 CO 0.08 0.56 -0.67 0.52 0.09 0.00 0.00 178.44 179.02 1cza n VAL 435 N -3.50 1.56 0.29 1.22 0.31 -0.67 -4.93 118.33 112.61 1cza n VAL 435 Ca 0.00 -4.86 0.18 0.00 -0.01 0.00 0.00 64.34 59.65 1cza n VAL 435 Cb 0.65 -2.08 0.88 0.00 -0.91 0.00 0.00 33.84 32.37 1cza n VAL 435 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1cza h PRO 436 N 4.64 0.00 0.00 5.55 0.13 -1.68 -2.81 132.00 137.83 1cza h PRO 436 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1cza h PRO 436 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1cza h PRO 436 CO 0.73 0.04 0.00 -0.25 -0.23 0.00 0.00 178.00 178.29 1cza n ASP 437 N -3.28 0.00 -4.80 1.44 8.00 -1.26 -4.84 116.55 111.81 1cza n ASP 437 Ca -0.01 0.23 -0.35 0.00 0.71 0.00 0.00 54.79 55.37 1cza n ASP 437 Cb 0.21 -0.41 -0.07 0.00 -0.02 0.00 0.00 41.12 40.82 1cza n ASP 437 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1cza s SER 438 N -2.82 5.84 -0.51 -2.24 1.04 -1.06 -1.87 113.70 112.08 1cza s SER 438 Ca 0.20 0.27 -0.12 0.00 0.48 0.00 0.00 55.95 56.77 1cza s SER 438 Cb 0.19 -1.76 0.13 0.00 0.10 0.00 0.00 66.02 64.68 1cza s SER 438 CO 0.49 0.34 0.42 -1.81 0.98 0.00 0.00 173.24 173.66 1cza s ASP 439 N -1.29 5.91 -0.14 7.02 1.11 0.26 -4.91 116.67 124.61 1cza s ASP 439 Ca 0.18 -1.90 -0.02 0.00 0.18 0.00 0.00 52.55 50.99 1cza s ASP 439 Cb -0.12 -2.09 -0.02 0.00 1.07 0.00 0.00 42.92 41.76 1cza s ASP 439 CO 0.08 -0.75 -0.09 -0.69 1.18 0.00 0.00 175.17 174.90 1cza s VAL 440 N 1.41 3.44 -0.11 -1.27 1.01 -1.26 -2.01 120.40 121.61 1cza s VAL 440 Ca 0.05 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1cza s VAL 440 Cb -0.27 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 1cza s VAL 440 CO 0.00 0.51 -0.04 -0.60 0.00 0.00 0.00 175.10 174.97 1cza s ARG 441 N 0.40 3.21 -0.26 2.72 3.52 -0.65 -5.01 118.95 122.88 1cza s ARG 441 Ca -0.07 -0.51 -0.08 0.00 -0.13 0.00 0.00 55.73 54.95 1cza s ARG 441 Cb -0.15 -2.78 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 1cza s ARG 441 CO 0.04 0.48 0.08 -0.06 -0.81 0.00 0.00 175.30 175.03 1cza s PHE 442 N -0.30 3.10 -0.23 5.12 0.40 -1.26 -0.62 117.98 124.18 1cza s PHE 442 Ca 0.05 -0.46 -0.05 0.00 -0.60 0.00 0.00 56.93 55.87 1cza s PHE 442 Cb -0.12 -2.25 -0.02 0.00 0.51 0.00 0.00 43.02 41.14 1cza s PHE 442 CO 0.02 -0.38 -0.00 -1.17 0.70 0.00 0.00 175.22 174.39 1cza s LEU 443 N 1.61 3.11 0.21 -0.37 2.96 -0.14 -4.98 118.68 121.07 1cza s LEU 443 Ca 0.06 -0.31 -0.30 0.00 -0.22 0.00 0.00 54.13 53.36 1cza s LEU 443 Cb -0.15 -1.81 -0.08 0.00 0.50 0.00 0.00 46.19 44.65 1cza s LEU 443 CO 0.04 -0.01 1.20 -0.22 -1.32 0.00 0.00 176.35 176.04 1cza s LEU 444 N 1.46 4.46 -0.95 -0.68 2.96 -1.26 -1.35 118.68 123.31 1cza s LEU 444 Ca 0.05 2.28 -0.21 0.00 -0.22 0.00 0.00 54.13 56.04 1cza s LEU 444 Cb -0.15 -3.61 0.09 0.00 0.50 0.00 0.00 46.19 43.02 1cza s LEU 444 CO -0.00 -0.37 1.27 -0.55 -1.32 0.00 0.00 176.35 175.38 1cza s SER 445 N -0.02 6.53 0.43 3.68 0.15 0.17 -4.84 113.70 119.81 1cza s SER 445 Ca 0.52 -1.66 0.23 0.00 0.70 0.00 0.00 55.95 55.74 1cza s SER 445 Cb -0.33 -2.48 0.42 0.00 -1.71 0.00 0.00 66.02 61.92 1cza s SER 445 CO 0.38 -1.31 1.63 -0.33 1.20 0.00 0.00 173.24 174.82 1cza h GLU 446 N 9.35 0.00 0.00 5.44 5.08 -1.93 -3.20 114.58 129.32 1cza h GLU 446 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1cza h GLU 446 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1cza h GLU 446 CO 1.26 0.06 -0.60 0.43 -1.00 0.00 0.00 179.01 179.16 1cza n SER 447 N -3.12 0.59 0.00 1.42 7.64 -1.26 -5.07 113.62 113.81 1cza n SER 447 Ca 0.03 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.57 1cza n SER 447 Cb 0.53 0.38 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 1cza n SER 447 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cza n GLY 448 N 1.49 -0.78 0.27 0.23 0.00 -1.21 -4.55 105.19 100.62 1cza n GLY 448 Ca 0.05 -1.69 0.02 0.00 0.00 0.00 0.00 46.02 44.40 1cza n GLY 448 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1cza h SER 449 N 0.00 0.36 -0.91 1.61 0.87 -1.90 -3.28 113.55 110.29 1cza h SER 449 Ca 0.00 -0.06 0.26 0.00 -1.23 0.00 0.00 61.79 60.76 1cza h SER 449 Cb 0.00 -0.09 -0.16 0.00 -0.44 0.00 0.00 62.40 61.71 1cza h SER 449 CO 0.00 0.43 0.17 1.23 -0.53 0.00 0.00 176.83 178.13 1cza h GLY 450 N 0.71 1.35 0.94 5.77 0.00 -1.89 0.10 103.07 110.05 1cza h GLY 450 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1cza h GLY 450 CO 0.01 -0.45 0.15 1.70 0.00 0.00 0.00 176.54 177.95 1cza h LYS 451 N 0.11 0.43 -0.48 4.80 3.64 -1.80 -0.65 116.57 122.63 1cza h LYS 451 Ca 0.58 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.77 1cza h LYS 451 Cb 1.21 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1cza h LYS 451 CO -0.76 0.40 -0.20 0.78 -2.27 0.00 0.00 179.45 177.40 1cza h GLY 452 N 0.36 1.05 1.42 5.01 0.00 -1.55 -2.58 103.07 106.77 1cza h GLY 452 Ca 0.11 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.51 1cza h GLY 452 CO -0.01 0.83 0.30 0.00 0.00 0.00 0.00 176.54 177.65 1cza h ALA 453 N 0.92 1.48 -0.38 3.60 0.00 -0.49 -1.40 119.26 123.00 1cza h ALA 453 Ca 0.11 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1cza h ALA 453 Cb 0.77 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1cza h ALA 453 CO 0.06 0.43 -0.06 0.00 0.00 0.00 0.00 179.25 179.68 1cza h ALA 454 N 1.56 1.19 -0.51 0.00 0.00 -0.93 0.32 119.26 120.90 1cza h ALA 454 Ca 0.20 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1cza h ALA 454 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1cza h ALA 454 CO -0.03 0.52 -0.18 0.52 0.00 0.00 0.00 179.25 180.08 1cza h MET 455 N 0.59 1.02 -0.66 0.00 2.86 -0.88 0.22 114.93 118.08 1cza h MET 455 Ca 0.11 -0.42 -0.07 0.00 -2.06 0.00 0.00 59.70 57.26 1cza h MET 455 Cb 0.46 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 1cza h MET 455 CO 0.02 1.10 0.12 0.28 1.06 0.00 0.00 176.91 179.50 1cza h VAL 456 N 0.88 1.26 -0.38 -2.22 2.07 -1.17 -2.86 116.25 113.83 1cza h VAL 456 Ca 0.12 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 1cza h VAL 456 Cb 0.76 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1cza h VAL 456 CO 0.06 0.38 0.06 0.74 0.02 0.00 0.00 177.57 178.83 1cza h THR 457 N 1.00 1.24 -0.09 2.57 2.02 -0.54 0.96 112.91 120.07 1cza h THR 457 Ca 0.20 -0.86 0.03 0.00 0.77 0.00 0.00 66.41 66.56 1cza h THR 457 Cb 0.41 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1cza h THR 457 CO 0.01 0.29 -0.12 0.00 0.37 0.00 0.00 175.52 176.07 1cza h ALA 458 N 0.92 -0.06 -0.53 6.16 0.00 -0.45 0.14 119.26 125.43 1cza h ALA 458 Ca 0.12 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1cza h ALA 458 Cb 0.37 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1cza h ALA 458 CO 0.01 -0.58 0.04 0.28 0.00 0.00 0.00 179.25 178.99 1cza h VAL 459 N -0.16 1.26 -0.91 0.00 2.07 -1.26 -2.33 116.25 114.92 1cza h VAL 459 Ca 0.07 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1cza h VAL 459 Cb 0.27 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1cza h VAL 459 CO -0.19 0.37 0.55 0.00 0.02 0.00 0.00 177.57 178.33 1cza h ALA 460 N 0.96 1.16 -0.39 1.67 0.00 -0.57 -1.68 119.26 120.41 1cza h ALA 460 Ca 0.16 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1cza h ALA 460 Cb 0.48 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1cza h ALA 460 CO 0.02 0.61 -0.15 -0.92 0.00 0.00 0.00 179.25 178.81 1cza h TYR 461 N 1.25 0.91 -0.80 0.00 3.20 -0.64 0.11 116.97 121.01 1cza h TYR 461 Ca 0.33 -0.22 0.02 0.00 3.14 0.00 0.00 58.73 62.00 1cza h TYR 461 Cb -0.06 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 37.95 1cza h TYR 461 CO 0.00 0.96 0.52 -0.09 -1.64 0.00 0.00 178.16 177.91 1cza h ARG 462 N 0.61 1.01 -0.02 1.82 2.43 -1.09 -1.08 114.38 118.06 1cza h ARG 462 Ca 0.09 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.04 1cza h ARG 462 Cb 0.70 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1cza h ARG 462 CO 0.05 0.67 -0.73 -0.07 -1.51 0.00 0.00 179.97 178.38 1cza h LEU 463 N 1.04 0.18 -0.86 3.80 3.38 -1.01 -2.32 115.31 119.53 1cza h LEU 463 Ca 0.31 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1cza h LEU 463 Cb -0.06 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1cza h LEU 463 CO -0.09 0.84 -0.04 0.00 0.09 0.00 0.00 178.44 179.24 1cza h ALA 464 N 1.15 1.04 -0.43 1.53 0.00 -0.31 0.21 119.26 122.46 1cza h ALA 464 Ca -0.02 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1cza h ALA 464 Cb 1.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1cza h ALA 464 CO 0.11 0.59 -0.12 0.93 0.00 0.00 0.00 179.25 180.76 1cza h GLU 465 N 0.74 0.84 -0.56 0.00 4.39 -1.03 -0.21 114.58 118.76 1cza h GLU 465 Ca 0.14 -0.33 -0.07 0.00 0.34 0.00 0.00 59.36 59.44 1cza h GLU 465 Cb 0.51 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1cza h GLU 465 CO 0.03 0.96 0.06 0.37 -1.16 0.00 0.00 179.01 179.27 1cza h GLN 466 N 0.67 0.91 -0.34 2.33 4.15 -1.12 -2.61 115.11 119.09 1cza h GLN 466 Ca 0.11 -0.23 -0.05 0.00 0.77 0.00 0.00 58.65 59.24 1cza h GLN 466 Cb 0.66 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 1cza h GLN 466 CO 0.05 0.86 0.00 0.45 -1.93 0.00 0.00 178.83 178.26 1cza h HIS 467 N 0.85 0.66 -0.30 3.99 3.86 -0.82 -1.67 115.15 121.72 1cza h HIS 467 Ca 0.17 -0.11 0.05 0.00 -1.16 0.00 0.00 60.37 59.32 1cza h HIS 467 Cb 0.42 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.66 1cza h HIS 467 CO 0.03 0.72 -0.02 -0.09 0.86 0.00 0.00 177.93 179.42 1cza h ARG 468 N 0.42 0.06 -0.43 2.45 2.43 -0.90 -0.38 114.38 118.03 1cza h ARG 468 Ca 0.10 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 1cza h ARG 468 Cb 0.45 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1cza h ARG 468 CO 0.02 0.04 -0.23 1.96 -1.51 0.00 0.00 179.97 180.25 1cza h GLN 469 N 0.06 0.87 -0.32 0.20 4.20 -1.33 -1.14 115.11 117.65 1cza h GLN 469 Ca 0.15 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 1cza h GLN 469 Cb 0.20 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1cza h GLN 469 CO -0.26 1.01 0.15 0.82 -0.67 0.00 0.00 178.83 179.87 1cza h ILE 470 N 0.75 1.17 -0.75 2.54 2.04 -1.08 -1.45 117.51 120.73 1cza h ILE 470 Ca 0.10 -0.49 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 1cza h ILE 470 Cb 0.77 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1cza h ILE 470 CO 0.06 0.17 0.26 -0.33 0.00 0.00 0.00 178.15 178.31 1cza h GLU 471 N 0.38 1.15 -0.78 2.37 4.39 -0.94 -0.18 114.58 120.98 1cza h GLU 471 Ca 0.11 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1cza h GLU 471 Cb 0.14 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 1cza h GLU 471 CO -0.01 0.96 0.44 0.93 -1.16 0.00 0.00 179.01 180.17 1cza h GLU 472 N 1.11 1.08 0.12 2.33 5.08 -0.99 0.17 114.58 123.48 1cza h GLU 472 Ca 0.25 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1cza h GLU 472 Cb 0.27 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1cza h GLU 472 CO -0.01 0.79 -0.06 1.15 -1.00 0.00 0.00 179.01 179.87 1cza h THR 473 N 1.07 1.01 0.00 1.13 2.02 -0.87 -3.12 112.91 114.15 1cza h THR 473 Ca 0.28 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1cza h THR 473 Cb 0.01 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1cza h THR 473 CO -0.05 0.13 -0.13 -0.07 0.37 0.00 0.00 175.52 175.78 1cza h LEU 474 N -0.42 0.00 -1.83 2.58 3.38 -0.89 -2.59 115.31 115.53 1cza h LEU 474 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1cza h LEU 474 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1cza h LEU 474 CO 0.03 0.13 -0.10 0.00 0.09 0.00 0.00 178.44 178.59 1cza h ALA 475 N 1.87 1.15 0.00 1.53 0.00 -0.60 -1.73 119.26 121.48 1cza h ALA 475 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1cza h ALA 475 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1cza h ALA 475 CO 0.02 0.12 0.00 0.45 0.00 0.00 0.00 179.25 179.84 1cza h HIS 476 N 0.00 0.00 -0.00 0.00 3.86 -1.54 -2.34 115.15 115.12 1cza h HIS 476 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1cza h HIS 476 Cb 0.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1cza h HIS 476 CO 0.00 0.00 -0.62 1.19 0.86 0.00 0.00 177.93 179.36 1cza n PHE 477 N -2.84 0.00 -2.49 2.45 3.01 -0.65 -4.88 117.46 112.06 1cza n PHE 477 Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 1cza n PHE 477 Cb 0.18 -0.18 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 1cza n PHE 477 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1cza s HIS 478 N -2.97 3.52 -0.15 1.38 2.46 -0.88 -4.73 115.29 113.92 1cza s HIS 478 Ca 0.11 1.47 0.02 0.00 0.47 0.00 0.00 55.06 57.12 1cza s HIS 478 Cb 0.17 -3.33 0.01 0.00 -0.13 0.00 0.00 32.58 29.30 1cza s HIS 478 CO 0.74 -0.87 -0.20 -0.51 -2.47 0.00 0.00 174.74 171.42 1cza s LEU 479 N 0.44 2.19 0.87 8.88 1.43 -1.26 -5.07 118.68 126.16 1cza s LEU 479 Ca 0.54 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 1cza s LEU 479 Cb -0.29 -1.47 0.11 0.00 0.03 0.00 0.00 46.19 44.57 1cza s LEU 479 CO 0.32 0.07 1.13 0.42 0.23 0.00 0.00 176.35 178.52 1cza s THR 480 N 0.87 2.30 0.21 5.49 -4.23 -1.26 -4.83 115.64 114.19 1cza s THR 480 Ca -0.05 0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 60.46 1cza s THR 480 Cb -0.15 -2.87 0.16 0.00 1.34 0.00 0.00 72.50 70.97 1cza s THR 480 CO -0.03 -0.13 1.84 0.50 -0.54 0.00 0.00 174.62 176.27 1cza h LYS 481 N -1.34 1.06 -0.77 3.99 3.64 -1.99 -0.30 116.57 120.85 1cza h LYS 481 Ca -0.49 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 58.74 1cza h LYS 481 Cb 1.31 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 1cza h LYS 481 CO 0.62 0.77 0.35 -0.44 -2.27 0.00 0.00 179.45 178.47 1cza h ASP 482 N 1.06 1.04 -0.24 4.20 3.32 -1.99 0.88 116.42 124.70 1cza h ASP 482 Ca 0.28 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1cza h ASP 482 Cb -0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1cza h ASP 482 CO -0.05 0.90 0.14 0.24 -1.72 0.00 0.00 179.24 178.75 1cza h MET 483 N 1.10 0.32 -0.92 3.56 2.86 -1.74 -1.90 114.93 118.21 1cza h MET 483 Ca 0.26 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.88 1cza h MET 483 Cb 0.16 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 1cza h MET 483 CO -0.03 0.26 0.60 -0.07 1.06 0.00 0.00 176.91 178.73 1cza h LEU 484 N 0.29 1.07 -1.50 1.22 3.38 -0.64 0.12 115.31 119.25 1cza h LEU 484 Ca 0.08 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1cza h LEU 484 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1cza h LEU 484 CO -0.02 0.79 0.26 -0.07 0.09 0.00 0.00 178.44 179.49 1cza h LEU 485 N 1.26 0.52 -0.44 1.67 3.38 -0.71 0.23 115.31 121.22 1cza h LEU 485 Ca 0.34 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 58.12 1cza h LEU 485 Cb -0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1cza h LEU 485 CO -0.07 0.41 -0.42 -0.08 0.09 0.00 0.00 178.44 178.37 1cza h GLU 486 N 0.61 0.85 -0.77 1.13 4.57 -0.44 -1.12 114.58 119.40 1cza h GLU 486 Ca 0.16 -0.46 -0.05 0.00 -1.18 0.00 0.00 59.36 57.83 1cza h GLU 486 Cb -0.01 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 1cza h GLU 486 CO -0.03 1.10 0.30 0.28 -1.18 0.00 0.00 179.01 179.48 1cza h VAL 487 N 0.69 1.26 -0.31 0.32 2.07 0.08 -0.64 116.25 119.71 1cza h VAL 487 Ca 0.05 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1cza h VAL 487 Cb 1.00 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1cza h VAL 487 CO 0.10 0.33 0.18 0.50 0.02 0.00 0.00 177.57 178.70 1cza h LYS 488 N 1.12 0.35 -0.51 1.57 3.64 -0.85 0.11 116.57 122.00 1cza h LYS 488 Ca 0.26 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1cza h LYS 488 Cb 0.23 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1cza h LYS 488 CO -0.02 0.23 0.32 -0.22 -2.27 0.00 0.00 179.45 177.49 1cza h LYS 489 N 0.36 0.69 -0.62 1.90 3.64 -0.78 -1.77 116.57 120.00 1cza h LYS 489 Ca 0.12 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1cza h LYS 489 Cb 0.01 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 1cza h LYS 489 CO -0.06 0.49 0.36 0.00 -2.27 0.00 0.00 179.45 177.97 1cza h ARG 490 N 0.69 0.86 -0.18 1.90 3.08 -0.63 -0.72 114.38 119.38 1cza h ARG 490 Ca 0.18 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.17 1cza h ARG 490 Cb -0.03 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 1cza h ARG 490 CO -0.04 0.63 0.04 1.98 -1.07 0.00 0.00 179.97 181.52 1cza h MET 491 N 0.84 0.12 -0.55 0.04 4.05 -0.64 -0.26 114.93 118.52 1cza h MET 491 Ca 0.22 -0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.72 1cza h MET 491 Cb 0.01 -0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 30.71 1cza h MET 491 CO -0.04 0.08 0.17 -0.09 0.23 0.00 0.00 176.91 177.26 1cza h ARG 492 N 0.12 0.32 -0.50 0.39 9.65 -1.17 0.27 114.38 123.45 1cza h ARG 492 Ca 0.08 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.89 1cza h ARG 492 Cb 0.06 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 1cza h ARG 492 CO -0.10 0.21 0.09 0.00 2.80 0.00 0.00 179.97 182.98 1cza h ALA 493 N 1.40 1.22 -0.10 2.80 0.00 -0.63 -0.96 119.26 122.99 1cza h ALA 493 Ca 0.28 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1cza h ALA 493 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1cza h ALA 493 CO -0.31 0.53 -0.51 0.93 0.00 0.00 0.00 179.25 179.89 1cza h GLU 494 N 0.75 0.27 -0.68 0.00 4.39 0.06 -1.92 114.58 117.45 1cza h GLU 494 Ca 0.16 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1cza h GLU 494 Cb 0.32 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 1cza h GLU 494 CO 0.00 0.72 0.39 0.52 -1.16 0.00 0.00 179.01 179.49 1cza h MET 495 N 0.22 0.94 -0.71 2.33 2.86 0.01 -1.64 114.93 118.95 1cza h MET 495 Ca 0.01 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 1cza h MET 495 Cb 0.97 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 1cza h MET 495 CO 0.08 0.69 0.17 0.93 1.06 0.00 0.00 176.91 179.85 1cza h GLU 496 N 0.93 1.13 -0.04 1.72 4.39 -0.82 -2.35 114.58 119.54 1cza h GLU 496 Ca 0.24 -0.27 0.02 0.00 0.34 0.00 0.00 59.36 59.70 1cza h GLU 496 Cb 0.01 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 1cza h GLU 496 CO -0.04 0.99 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.62 1cza h LEU 497 N 1.07 -0.32 -1.52 1.33 3.38 -0.95 -2.74 115.31 115.55 1cza h LEU 497 Ca 0.22 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 1cza h LEU 497 Cb 0.37 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1cza h LEU 497 CO 0.00 -0.15 -0.25 1.23 0.09 0.00 0.00 178.44 179.36 1cza h GLY 498 N -0.17 0.00 2.00 0.83 0.00 -1.17 -2.99 103.07 101.57 1cza h GLY 498 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.27 1cza h GLY 498 CO -0.14 0.00 -0.56 1.41 0.00 0.00 0.00 176.54 177.25 1cza h LEU 499 N 0.00 0.00 -9.55 3.11 3.38 -1.19 -3.42 115.31 107.64 1cza h LEU 499 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1cza h LEU 499 Cb 0.46 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1cza h LEU 499 CO 0.03 0.56 0.11 -0.13 0.09 0.00 0.00 178.44 179.11 1cza s ARG 500 N -3.03 4.44 0.13 1.13 0.52 -1.06 -2.77 118.95 118.33 1cza s ARG 500 Ca 0.03 0.97 -0.22 0.00 -0.52 0.00 0.00 55.73 56.00 1cza s ARG 500 Cb 0.08 -3.35 -0.02 0.00 0.52 0.00 0.00 34.95 32.19 1cza s ARG 500 CO 0.75 0.33 1.67 -0.22 0.02 0.00 0.00 175.30 177.85 1cza h LYS 501 N 5.56 -0.14 -0.55 3.54 3.64 -1.87 0.42 116.57 127.17 1cza h LYS 501 Ca -0.45 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.05 1cza h LYS 501 Cb 1.20 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.97 1cza h LYS 501 CO 0.70 -0.10 0.03 0.37 -2.27 0.00 0.00 179.45 178.18 1cza h GLN 502 N -0.15 0.14 -0.02 1.90 4.15 -1.94 -3.10 115.11 116.09 1cza h GLN 502 Ca 0.10 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1cza h GLN 502 Cb 0.29 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1cza h GLN 502 CO -0.24 0.09 -0.25 0.25 -1.93 0.00 0.00 178.83 176.76 1cza n THR 503 N -5.22 0.00 -0.17 2.39 -2.24 -0.90 -4.71 114.28 103.43 1cza n THR 503 Ca 0.07 -0.38 -0.05 0.00 -2.27 0.00 0.00 64.05 61.42 1cza n THR 503 Cb 0.30 1.32 0.04 0.00 -2.10 0.00 0.00 70.33 69.89 1cza n THR 503 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1cza h HIS 504 N 2.98 0.56 -0.15 4.78 -0.00 -0.03 -2.79 115.15 120.50 1cza h HIS 504 Ca 0.00 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1cza h HIS 504 Cb 0.75 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.98 1cza h HIS 504 CO 0.00 0.31 0.10 -0.91 -0.00 0.00 0.00 177.93 177.43 1cza h ASN 505 N 0.60 0.15 -0.51 3.26 2.35 -1.84 -2.52 115.58 117.06 1cza h ASN 505 Ca 0.21 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1cza h ASN 505 Cb 0.05 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1cza h ASN 505 CO -0.11 0.11 0.00 0.59 -1.65 0.00 0.00 177.43 176.37 1cza n ASN 506 N -4.51 3.44 -4.72 5.81 5.03 -1.11 -4.97 115.26 114.23 1cza n ASN 506 Ca -0.00 -2.05 -0.42 0.00 0.87 0.00 0.00 54.58 52.97 1cza n ASN 506 Cb 0.10 -0.36 -0.03 0.00 -1.02 0.00 0.00 39.78 38.47 1cza n ASN 506 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1cza s ALA 507 N -1.10 3.41 0.03 5.41 0.00 -0.95 -4.94 121.76 123.61 1cza s ALA 507 Ca 0.35 0.88 0.16 0.00 0.00 0.00 0.00 51.96 53.35 1cza s ALA 507 Cb 0.19 -3.43 0.36 0.00 0.00 0.00 0.00 23.12 20.24 1cza s ALA 507 CO 0.23 -0.40 1.58 -0.39 0.00 0.00 0.00 175.76 176.78 1cza h VAL 508 N 4.22 0.93 -3.24 0.00 -1.51 -1.90 -3.39 116.25 111.36 1cza h VAL 508 Ca -0.43 -1.95 -0.74 0.00 -1.23 0.00 0.00 66.70 62.35 1cza h VAL 508 Cb 1.21 2.21 -0.23 0.00 -2.13 0.00 0.00 31.29 32.35 1cza h VAL 508 CO 0.79 0.46 -0.29 -0.69 -1.23 0.00 0.00 177.57 176.61 1cza s VAL 509 N -3.26 5.22 0.12 7.19 1.01 -1.26 -4.56 120.40 124.85 1cza s VAL 509 Ca 0.02 -1.17 0.30 0.00 0.00 0.00 0.00 61.98 61.13 1cza s VAL 509 Cb 0.09 -4.19 0.34 0.00 0.00 0.00 0.00 36.38 32.62 1cza s VAL 509 CO 0.72 -0.67 1.93 0.11 0.00 0.00 0.00 175.10 177.19 1cza h LYS 510 N 8.80 0.00 -6.14 2.72 1.57 -1.73 -3.33 116.57 118.46 1cza h LYS 510 Ca -0.29 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.08 1cza h LYS 510 Cb 1.11 0.00 0.08 0.00 0.08 0.00 0.00 32.23 33.50 1cza h LYS 510 CO 0.93 0.08 -0.91 -1.33 -0.57 0.00 0.00 179.45 177.65 1cza n MET 511 N -3.21 -2.18 -3.03 3.15 2.81 -0.89 -4.69 117.12 109.08 1cza n MET 511 Ca 0.00 0.53 -0.40 0.00 -1.81 0.00 0.00 57.70 56.02 1cza n MET 511 Cb 0.35 -4.54 -0.05 0.00 -0.71 0.00 0.00 33.22 28.27 1cza n MET 511 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1cza s LEU 512 N -6.43 4.36 0.22 4.03 1.43 -0.16 -4.78 118.68 117.35 1cza s LEU 512 Ca 0.34 1.27 -0.30 0.00 -1.03 0.00 0.00 54.13 54.41 1cza s LEU 512 Cb -0.11 -3.12 -0.10 0.00 0.03 0.00 0.00 46.19 42.89 1cza s LEU 512 CO 0.84 -0.07 1.46 -2.84 0.23 0.00 0.00 176.35 175.97 1cza s PRO 513 N 0.50 4.26 -0.01 1.29 0.02 -1.26 -0.14 135.00 139.67 1cza s PRO 513 Ca 0.38 2.30 0.21 0.00 0.02 0.00 0.00 61.00 63.91 1cza s PRO 513 Cb -0.19 -3.13 -0.24 0.00 0.02 0.00 0.00 34.50 30.97 1cza s PRO 513 CO 0.20 -0.46 0.82 -1.13 -0.33 0.00 0.00 177.00 176.10 1cza n SER 514 N 2.74 0.79 -1.15 2.53 3.41 -0.83 -4.42 113.62 116.68 1cza n SER 514 Ca 0.08 -0.79 -0.15 0.00 -0.26 0.00 0.00 58.87 57.76 1cza n SER 514 Cb 0.40 1.19 -0.06 0.00 -0.26 0.00 0.00 64.21 65.48 1cza n SER 514 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1cza n PHE 515 N -1.66 0.00 -3.38 7.33 3.01 -1.26 -4.63 117.46 116.87 1cza n PHE 515 Ca 0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.06 1cza n PHE 515 Cb 0.38 -2.76 -0.09 0.00 -0.01 0.00 0.00 39.48 37.00 1cza n PHE 515 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1cza s VAL 516 N -2.48 5.15 -2.01 -4.37 1.01 -1.26 -4.73 120.40 111.71 1cza s VAL 516 Ca 0.00 -0.29 0.20 0.00 0.00 0.00 0.00 61.98 61.89 1cza s VAL 516 Cb 0.00 -3.94 0.05 0.00 0.00 0.00 0.00 36.38 32.49 1cza s VAL 516 CO 0.00 -0.28 1.03 0.54 0.00 0.00 0.00 175.10 176.38 1cza n ARG 517 N 5.43 1.58 -3.56 2.72 1.74 -1.26 -0.82 116.66 122.50 1cza n ARG 517 Ca -0.09 -1.17 -0.11 0.00 -0.77 0.00 0.00 57.85 55.71 1cza n ARG 517 Cb 0.48 -1.38 -0.04 0.00 -1.02 0.00 0.00 32.46 30.50 1cza n ARG 517 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1cza s ARG 518 N -2.02 1.13 1.00 5.56 1.70 -1.26 -4.23 118.95 120.83 1cza s ARG 518 Ca 0.18 -0.55 -0.16 0.00 -0.47 0.00 0.00 55.73 54.73 1cza s ARG 518 Cb 0.16 0.51 0.21 0.00 -0.57 0.00 0.00 34.95 35.26 1cza s ARG 518 CO 0.41 -0.46 1.27 0.95 -1.08 0.00 0.00 175.30 176.39 1cza s THR 519 N -3.56 1.92 0.23 4.99 -4.23 -1.26 -4.96 115.64 108.78 1cza s THR 519 Ca 0.01 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.22 1cza s THR 519 Cb 0.01 -2.89 -0.10 0.00 1.34 0.00 0.00 72.50 70.85 1cza s THR 519 CO -0.11 0.00 1.46 -2.84 -0.54 0.00 0.00 174.62 172.60 1cza s PRO 520 N -5.76 4.25 0.00 3.99 0.02 -1.26 -4.91 135.00 131.33 1cza s PRO 520 Ca 0.72 2.31 0.24 0.00 0.02 0.00 0.00 61.00 64.30 1cza s PRO 520 Cb -0.06 -3.12 0.45 0.00 0.02 0.00 0.00 34.50 31.80 1cza s PRO 520 CO 0.53 -0.46 1.41 -0.40 -0.33 0.00 0.00 177.00 177.75 1cza n ASP 521 N 2.66 2.70 0.00 2.53 5.68 -1.26 -4.91 116.55 123.95 1cza n ASP 521 Ca 0.08 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.49 1cza n ASP 521 Cb 0.40 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1cza n ASP 521 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cza n GLY 522 N 1.33 0.89 0.01 6.12 0.00 -1.26 -4.93 105.19 107.35 1cza n GLY 522 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1cza n GLY 522 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cza n THR 523 N -2.00 0.00 -1.71 2.61 -2.24 -1.26 -4.59 114.28 105.09 1cza n THR 523 Ca 0.00 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 1cza n THR 523 Cb 0.00 0.69 0.01 0.00 -2.10 0.00 0.00 70.33 68.92 1cza n THR 523 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cza n GLU 524 N -1.46 2.05 -3.57 -0.78 4.71 -1.26 -4.87 120.64 115.45 1cza n GLU 524 Ca 0.05 0.72 -0.11 0.00 -0.01 0.00 0.00 57.16 57.81 1cza n GLU 524 Cb 0.33 -2.40 -0.05 0.00 -1.01 0.00 0.00 31.44 28.32 1cza n GLU 524 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1cza s ASN 525 N -0.44 -0.39 0.00 1.62 2.20 -1.26 -4.02 114.94 112.64 1cza s ASN 525 Ca 0.59 0.43 0.00 0.00 -0.94 0.00 0.00 52.86 52.94 1cza s ASN 525 Cb -0.52 0.33 0.00 0.00 -2.00 0.00 0.00 41.25 39.06 1cza s ASN 525 CO 0.60 -0.36 0.00 0.61 -2.94 0.00 0.00 177.10 175.01 1cza n GLY 526 N 0.76 -0.42 3.35 0.45 0.00 0.01 -4.96 105.19 104.38 1cza n GLY 526 Ca -0.11 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 1cza n GLY 526 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cza s ASP 527 N -0.37 3.85 0.04 1.61 1.01 -1.26 -1.32 116.67 120.23 1cza s ASP 527 Ca 0.00 -0.37 0.03 0.00 0.71 0.00 0.00 52.55 52.92 1cza s ASP 527 Cb 0.00 -1.57 -0.02 0.00 1.01 0.00 0.00 42.92 42.34 1cza s ASP 527 CO 0.00 0.17 -0.09 -0.36 0.21 0.00 0.00 175.17 175.10 1cza s PHE 528 N 0.33 0.79 0.25 4.23 0.40 -0.01 -4.58 117.98 119.40 1cza s PHE 528 Ca -0.12 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 55.81 1cza s PHE 528 Cb -0.16 -0.47 -0.03 0.00 0.51 0.00 0.00 43.02 42.87 1cza s PHE 528 CO 0.06 -0.04 0.41 -0.51 0.70 0.00 0.00 175.22 175.85 1cza s LEU 529 N -1.34 4.22 0.05 -0.37 1.43 -0.71 0.13 118.68 122.08 1cza s LEU 529 Ca -0.06 0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 53.16 1cza s LEU 529 Cb -0.09 -3.06 0.02 0.00 0.03 0.00 0.00 46.19 43.10 1cza s LEU 529 CO 0.01 -0.12 0.32 0.00 0.23 0.00 0.00 176.35 176.79 1cza s ALA 530 N -2.03 -0.72 0.08 4.21 0.00 -0.44 -1.20 121.76 121.67 1cza s ALA 530 Ca 0.37 0.02 0.09 0.00 0.00 0.00 0.00 51.96 52.44 1cza s ALA 530 Cb -0.10 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 1cza s ALA 530 CO 0.31 -0.43 -0.24 -0.51 0.00 0.00 0.00 175.76 174.89 1cza s LEU 531 N -2.11 2.37 -0.35 0.00 1.43 -0.34 -1.14 118.68 118.54 1cza s LEU 531 Ca -0.04 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1cza s LEU 531 Cb -0.01 -1.35 0.11 0.00 0.03 0.00 0.00 46.19 44.98 1cza s LEU 531 CO -0.04 0.23 0.14 -0.62 0.23 0.00 0.00 176.35 176.29 1cza s ASP 532 N -1.61 3.91 -0.10 2.29 3.68 0.43 -1.22 116.67 124.04 1cza s ASP 532 Ca 0.14 -1.96 0.03 0.00 2.13 0.00 0.00 52.55 52.89 1cza s ASP 532 Cb -0.10 -0.92 0.00 0.00 -1.45 0.00 0.00 42.92 40.45 1cza s ASP 532 CO 0.05 -0.37 -0.21 -0.22 0.13 0.00 0.00 175.17 174.55 1cza s LEU 533 N 1.21 1.98 0.00 -1.34 2.96 -0.45 -1.30 118.68 121.74 1cza s LEU 533 Ca 0.12 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1cza s LEU 533 Cb -0.20 -1.28 0.00 0.00 0.50 0.00 0.00 46.19 45.21 1cza s LEU 533 CO -0.16 0.12 0.00 0.61 -1.32 0.00 0.00 176.35 175.59 1cza n GLY 534 N 3.69 1.47 0.00 7.98 0.00 -1.26 -0.82 105.19 116.24 1cza n GLY 534 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1cza n GLY 534 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cza n GLY 535 N 0.00 0.76 0.25 -0.02 0.00 -1.26 -4.89 105.19 100.03 1cza n GLY 535 Ca 0.00 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 1cza n GLY 535 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1cza h THR 536 N 0.00 1.23 -3.31 2.61 1.35 -1.99 -3.43 112.91 109.37 1cza h THR 536 Ca 0.00 -0.77 -0.66 0.00 -0.55 0.00 0.00 66.41 64.43 1cza h THR 536 Cb 0.00 0.70 -0.28 0.00 -1.73 0.00 0.00 68.15 66.84 1cza h THR 536 CO 0.00 0.29 -0.77 0.20 -0.25 0.00 0.00 175.52 174.99 1cza s ASN 537 N -6.11 3.97 -0.04 5.36 0.01 -1.26 -5.02 114.94 111.85 1cza s ASN 537 Ca -0.13 -0.37 -0.30 0.00 -0.71 0.00 0.00 52.86 51.35 1cza s ASN 537 Cb 0.12 -1.62 -0.02 0.00 0.41 0.00 0.00 41.25 40.14 1cza s ASN 537 CO 0.79 0.12 1.00 0.12 -1.51 0.00 0.00 177.10 177.63 1cza s PHE 538 N 0.61 3.59 0.07 2.20 5.36 -1.25 -4.76 117.98 123.80 1cza s PHE 538 Ca -0.07 1.63 0.04 0.00 -0.96 0.00 0.00 56.93 57.57 1cza s PHE 538 Cb -0.15 -3.16 -0.03 0.00 -0.34 0.00 0.00 43.02 39.33 1cza s PHE 538 CO 0.03 -0.17 -0.10 1.03 -1.46 0.00 0.00 175.22 174.54 1cza s ARG 539 N 1.40 0.74 -0.07 10.12 0.52 -0.42 -0.96 118.95 130.29 1cza s ARG 539 Ca 0.51 -0.98 0.04 0.00 -0.52 0.00 0.00 55.73 54.77 1cza s ARG 539 Cb -0.20 -0.53 -0.02 0.00 0.52 0.00 0.00 34.95 34.71 1cza s ARG 539 CO 0.24 0.10 -0.16 0.08 0.02 0.00 0.00 175.30 175.58 1cza s VAL 540 N -1.82 2.84 0.11 3.52 1.01 -0.93 -0.43 120.40 124.70 1cza s VAL 540 Ca -0.01 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1cza s VAL 540 Cb -0.07 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1cza s VAL 540 CO 0.01 0.57 -0.10 -0.76 0.00 0.00 0.00 175.10 174.82 1cza s LEU 541 N -0.42 2.44 -0.14 3.92 1.02 -0.29 -1.63 118.68 123.57 1cza s LEU 541 Ca 0.05 -0.87 0.01 0.00 0.02 0.00 0.00 54.13 53.34 1cza s LEU 541 Cb -0.12 -0.33 0.02 0.00 0.02 0.00 0.00 46.19 45.78 1cza s LEU 541 CO 0.02 -0.28 -0.18 -0.22 0.02 0.00 0.00 176.35 175.71 1cza s LEU 542 N -2.64 1.91 -0.09 1.79 0.20 0.27 -1.32 118.68 118.80 1cza s LEU 542 Ca 0.09 -0.54 0.03 0.00 0.69 0.00 0.00 54.13 54.39 1cza s LEU 542 Cb -0.01 -1.30 0.01 0.00 -0.43 0.00 0.00 46.19 44.46 1cza s LEU 542 CO 0.00 0.02 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.21 1cza s VAL 543 N 1.11 1.61 -0.19 1.68 1.01 0.12 -1.36 120.40 124.39 1cza s VAL 543 Ca -0.02 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1cza s VAL 543 Cb -0.14 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1cza s VAL 543 CO -0.06 0.46 -0.12 -0.54 0.00 0.00 0.00 175.10 174.84 1cza s LYS 544 N 0.67 3.23 -0.08 2.72 1.02 0.10 -0.83 119.74 126.57 1cza s LYS 544 Ca -0.13 -0.71 0.03 0.00 0.02 0.00 0.00 55.97 55.18 1cza s LYS 544 Cb -0.16 -2.77 -0.02 0.00 -0.52 0.00 0.00 37.83 34.36 1cza s LYS 544 CO 0.03 -0.13 -0.18 0.42 -0.92 0.00 0.00 175.35 174.58 1cza s ILE 545 N 1.21 2.70 -0.05 2.17 1.01 -0.43 0.02 121.20 127.82 1cza s ILE 545 Ca 0.02 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.86 1cza s ILE 545 Cb -0.14 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.28 1cza s ILE 545 CO -0.05 0.56 -0.07 -0.13 0.00 0.00 0.00 174.94 175.26 1cza s ARG 546 N -0.12 1.07 0.23 2.79 1.81 0.27 -0.81 118.95 124.20 1cza s ARG 546 Ca -0.03 -0.19 0.03 0.00 -1.72 0.00 0.00 55.73 53.82 1cza s ARG 546 Cb -0.14 -1.01 0.03 0.00 -0.45 0.00 0.00 34.95 33.38 1cza s ARG 546 CO 0.04 -0.06 0.23 -1.13 -0.68 0.00 0.00 175.30 173.70 1cza n SER 547 N 4.02 1.34 0.00 0.23 3.41 -1.26 -0.75 113.62 120.61 1cza n SER 547 Ca -0.24 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 1cza n SER 547 Cb 0.51 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1cza n SER 547 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cza n GLY 548 N 2.26 0.33 0.18 5.00 0.00 -1.26 -4.68 105.19 107.02 1cza n GLY 548 Ca 0.02 -1.84 -0.05 0.00 0.00 0.00 0.00 46.02 44.15 1cza n GLY 548 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cza h LYS 549 N 0.00 -0.13 -4.15 1.61 1.57 -2.01 -3.34 116.57 110.12 1cza h LYS 549 Ca 0.00 0.01 -0.63 0.00 -1.87 0.00 0.00 60.65 58.16 1cza h LYS 549 Cb 0.00 0.03 -0.40 0.00 0.08 0.00 0.00 32.23 31.94 1cza h LYS 549 CO 0.00 -0.09 -0.72 0.15 -0.57 0.00 0.00 179.45 178.22 1cza s LYS 550 N -4.02 1.30 0.50 3.15 1.02 -1.26 -5.10 119.74 115.33 1cza s LYS 550 Ca -0.05 -1.74 -0.23 0.00 0.02 0.00 0.00 55.97 53.97 1cza s LYS 550 Cb 0.03 -2.83 -0.06 0.00 -0.52 0.00 0.00 37.83 34.45 1cza s LYS 550 CO 0.24 -0.98 1.39 -0.98 -0.92 0.00 0.00 175.35 174.10 1cza s ARG 551 N 0.95 3.39 0.05 1.68 1.70 -1.26 -4.86 118.95 120.60 1cza s ARG 551 Ca 0.12 2.33 -0.00 0.00 -0.47 0.00 0.00 55.73 57.70 1cza s ARG 551 Cb -0.20 -2.44 -0.03 0.00 -0.57 0.00 0.00 34.95 31.71 1cza s ARG 551 CO -0.11 -1.02 -0.04 0.95 -1.08 0.00 0.00 175.30 173.99 1cza s THR 552 N -1.25 0.28 -0.06 4.99 -4.23 0.07 -4.99 115.64 110.44 1cza s THR 552 Ca 0.67 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1cza s THR 552 Cb -0.42 -1.09 0.02 0.00 1.34 0.00 0.00 72.50 72.35 1cza s THR 552 CO 0.52 -0.78 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.09 1cza s VAL 553 N -2.94 0.54 -0.09 2.29 1.01 -1.26 -0.56 120.40 119.39 1cza s VAL 553 Ca -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1cza s VAL 553 Cb 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.78 1cza s VAL 553 CO -0.06 0.25 -0.20 -0.70 0.00 0.00 0.00 175.10 174.40 1cza s GLU 554 N 1.32 2.55 0.02 2.72 2.12 0.10 -4.96 118.70 122.57 1cza s GLU 554 Ca -0.05 -0.71 0.05 0.00 0.36 0.00 0.00 54.97 54.62 1cza s GLU 554 Cb -0.14 -1.97 -0.02 0.00 0.26 0.00 0.00 34.13 32.27 1cza s GLU 554 CO -0.02 0.13 -0.15 -1.64 -0.54 0.00 0.00 175.26 173.04 1cza s MET 555 N 0.44 1.06 0.07 4.30 -1.94 -1.26 0.03 119.30 122.00 1cza s MET 555 Ca -0.17 -0.66 0.05 0.00 -1.71 0.00 0.00 55.69 53.21 1cza s MET 555 Cb -0.17 -1.06 -0.03 0.00 2.01 0.00 0.00 34.83 35.58 1cza s MET 555 CO 0.07 0.28 -0.14 -1.01 -0.01 0.00 0.00 175.02 174.20 1cza s HIS 556 N -0.61 1.23 0.14 -0.03 3.76 -0.46 -4.99 115.29 114.32 1cza s HIS 556 Ca 0.04 -0.45 -0.16 0.00 -0.15 0.00 0.00 55.06 54.34 1cza s HIS 556 Cb -0.07 -0.69 0.03 0.00 1.11 0.00 0.00 32.58 32.96 1cza s HIS 556 CO 0.00 0.06 0.42 0.54 -0.85 0.00 0.00 174.74 174.91 1cza s ASN 557 N -1.68 -0.23 -0.01 1.40 2.20 -1.26 -0.57 114.94 114.78 1cza s ASN 557 Ca -0.01 -0.36 0.03 0.00 -0.94 0.00 0.00 52.86 51.57 1cza s ASN 557 Cb -0.10 0.49 -0.00 0.00 -2.00 0.00 0.00 41.25 39.64 1cza s ASN 557 CO 0.02 -0.89 -0.09 -0.75 -2.94 0.00 0.00 177.10 172.46 1cza s LYS 558 N -3.82 0.76 0.07 3.55 2.20 -0.65 -5.00 119.74 116.86 1cza s LYS 558 Ca 0.04 -0.31 -0.20 0.00 -0.36 0.00 0.00 55.97 55.15 1cza s LYS 558 Cb 0.01 -0.74 -0.07 0.00 -1.51 0.00 0.00 37.83 35.53 1cza s LYS 558 CO -0.10 0.17 0.59 0.42 -0.36 0.00 0.00 175.35 176.06 1cza s ILE 559 N -0.09 4.72 -0.03 5.43 1.01 -1.26 -2.20 121.20 128.78 1cza s ILE 559 Ca 0.02 1.26 0.05 0.00 0.00 0.00 0.00 60.65 61.98 1cza s ILE 559 Cb -0.05 -3.92 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 1cza s ILE 559 CO -0.00 0.54 -0.18 -0.31 0.00 0.00 0.00 174.94 174.99 1cza s TYR 560 N -1.03 1.72 0.49 3.97 1.51 -0.13 -5.01 117.35 118.87 1cza s TYR 560 Ca 0.30 -0.43 -0.19 0.00 -1.01 0.00 0.00 57.07 55.73 1cza s TYR 560 Cb -0.20 -1.14 -0.08 0.00 -0.11 0.00 0.00 41.96 40.43 1cza s TYR 560 CO 0.19 -0.12 1.00 0.00 -1.11 0.00 0.00 175.55 175.52 1cza s ALA 561 N -0.14 2.94 -0.31 3.71 0.00 -1.26 -3.82 121.76 122.88 1cza s ALA 561 Ca 0.00 0.43 -0.00 0.00 0.00 0.00 0.00 51.96 52.39 1cza s ALA 561 Cb -0.10 -3.19 0.10 0.00 0.00 0.00 0.00 23.12 19.93 1cza s ALA 561 CO 0.01 -0.24 0.09 0.42 0.00 0.00 0.00 175.76 176.04 1cza s ILE 562 N -2.24 1.10 0.62 0.00 1.01 -1.26 -5.02 121.20 115.40 1cza s ILE 562 Ca 0.63 -1.54 -0.18 0.00 0.00 0.00 0.00 60.65 59.56 1cza s ILE 562 Cb -0.13 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1cza s ILE 562 CO 0.23 -0.66 1.02 -2.65 0.00 0.00 0.00 174.94 172.87 1cza n PRO 563 N 4.75 0.91 0.28 2.79 -0.02 -1.26 -4.70 135.00 137.74 1cza n PRO 563 Ca -0.01 0.36 0.11 0.00 -2.02 0.00 0.00 63.50 61.94 1cza n PRO 563 Cb 0.42 -2.23 0.77 0.00 -0.02 0.00 0.00 33.50 32.44 1cza n PRO 563 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1cza h ILE 564 N 0.45 0.77 0.00 4.25 6.09 -1.99 0.22 117.51 127.29 1cza h ILE 564 Ca -0.49 -0.05 -0.04 0.00 -1.37 0.00 0.00 64.86 62.91 1cza h ILE 564 Cb 1.36 1.03 -0.01 0.00 0.47 0.00 0.00 36.82 39.67 1cza h ILE 564 CO 0.51 0.01 -0.21 -0.33 -3.07 0.00 0.00 178.15 175.06 1cza h GLU 565 N 0.00 0.00 0.01 2.19 3.07 -1.94 -0.45 114.58 117.46 1cza h GLU 565 Ca -0.00 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.56 1cza h GLU 565 Cb 0.03 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.89 1cza h GLU 565 CO 0.00 0.21 -1.79 -0.89 -1.40 0.00 0.00 179.01 175.14 1cza n ILE 566 N -3.75 1.60 0.24 3.13 5.41 0.70 -1.56 119.36 125.13 1cza n ILE 566 Ca -0.02 -0.79 0.10 0.00 1.00 0.00 0.00 62.75 63.04 1cza n ILE 566 Cb 0.31 -1.04 0.62 0.00 -0.71 0.00 0.00 39.64 38.83 1cza n ILE 566 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1cza h MET 567 N 0.00 0.00 0.00 0.38 2.86 -1.07 -2.66 114.93 114.45 1cza h MET 567 Ca -0.32 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1cza h MET 567 Cb 2.04 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.69 1cza h MET 567 CO 0.07 0.17 -0.07 1.04 1.06 0.00 0.00 176.91 179.19 1cza n GLN 568 N -3.84 1.29 0.00 1.72 6.02 -0.20 -0.76 117.38 121.60 1cza n GLN 568 Ca -0.02 -2.63 0.00 0.00 -0.01 0.00 0.00 57.00 54.34 1cza n GLN 568 Cb 0.27 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.04 1cza n GLN 568 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cza n GLY 569 N -1.37 0.57 3.96 1.08 0.00 -0.60 -4.43 105.19 104.40 1cza n GLY 569 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1cza n GLY 569 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cza s THR 570 N 3.40 5.20 0.21 2.61 -4.23 -1.26 -0.62 115.64 120.95 1cza s THR 570 Ca 0.00 -0.74 -0.08 0.00 -1.18 0.00 0.00 61.69 59.69 1cza s THR 570 Cb 0.00 -3.85 0.16 0.00 1.34 0.00 0.00 72.50 70.14 1cza s THR 570 CO 0.00 -0.41 1.79 1.23 -0.54 0.00 0.00 174.62 176.69 1cza h GLY 571 N 1.06 1.25 0.50 3.99 0.00 -0.49 -1.29 103.07 108.09 1cza h GLY 571 Ca -0.51 -0.65 0.09 0.00 0.00 0.00 0.00 47.33 46.26 1cza h GLY 571 CO 0.62 0.62 0.39 -2.09 0.00 0.00 0.00 176.54 176.07 1cza h GLU 572 N 1.13 0.64 -0.62 4.80 4.81 -1.89 -1.01 114.58 122.44 1cza h GLU 572 Ca 0.27 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.37 1cza h GLU 572 Cb 0.18 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1cza h GLU 572 CO -0.03 0.42 0.04 0.93 -0.73 0.00 0.00 179.01 179.65 1cza h GLU 573 N 0.66 1.06 -0.18 1.92 5.08 -1.79 -0.39 114.58 120.93 1cza h GLU 573 Ca 0.36 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1cza h GLU 573 Cb 0.36 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1cza h GLU 573 CO -0.26 1.01 -0.03 1.25 -1.00 0.00 0.00 179.01 179.99 1cza h LEU 574 N 0.96 0.34 -0.71 1.33 5.85 -0.86 -1.58 115.31 120.63 1cza h LEU 574 Ca 0.18 -0.35 -0.14 0.00 0.84 0.00 0.00 57.88 58.41 1cza h LEU 574 Cb 0.51 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1cza h LEU 574 CO 0.02 0.61 -0.61 -0.26 -0.34 0.00 0.00 178.44 177.86 1cza h PHE 575 N 0.06 0.18 -0.49 1.25 -1.00 -1.15 -0.62 116.94 115.18 1cza h PHE 575 Ca 0.05 -0.07 0.01 0.00 2.81 0.00 0.00 57.97 60.76 1cza h PHE 575 Cb 0.45 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.95 1cza h PHE 575 CO 0.05 0.71 0.32 -0.44 -1.61 0.00 0.00 178.31 177.34 1cza h ASP 576 N 0.11 0.55 -0.47 2.17 3.32 -1.06 0.17 116.42 121.21 1cza h ASP 576 Ca -0.01 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1cza h ASP 576 Cb 1.09 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 1cza h ASP 576 CO 0.09 0.40 0.30 -0.74 -1.72 0.00 0.00 179.24 177.57 1cza h HIS 577 N 0.65 0.57 -0.76 4.55 2.76 -0.78 0.18 115.15 122.32 1cza h HIS 577 Ca 0.18 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.39 1cza h HIS 577 Cb -0.07 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 28.66 1cza h HIS 577 CO -0.04 0.35 0.49 0.82 -1.30 0.00 0.00 177.93 178.25 1cza h ILE 578 N 0.62 1.15 -0.39 6.26 2.04 -0.87 -1.72 117.51 124.59 1cza h ILE 578 Ca 0.18 -0.34 -0.12 0.00 1.00 0.00 0.00 64.86 65.58 1cza h ILE 578 Cb -0.05 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 1cza h ILE 578 CO -0.05 0.18 -0.25 0.58 0.00 0.00 0.00 178.15 178.61 1cza h VAL 579 N 0.98 1.27 -0.67 1.67 2.07 -0.05 -1.43 116.25 120.10 1cza h VAL 579 Ca 0.29 -1.37 0.03 0.00 0.82 0.00 0.00 66.70 66.47 1cza h VAL 579 Cb -0.04 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1cza h VAL 579 CO -0.09 0.46 0.41 0.28 0.02 0.00 0.00 177.57 178.65 1cza h SER 580 N 0.69 0.67 -0.82 0.57 0.02 -0.25 -0.67 113.55 113.76 1cza h SER 580 Ca 0.09 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1cza h SER 580 Cb 0.77 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.13 1cza h SER 580 CO 0.06 0.46 0.44 0.00 -1.14 0.00 0.00 176.83 176.65 1cza h ILE 582 N 1.14 1.15 -0.48 0.00 2.04 -0.81 -1.18 117.51 119.37 1cza h ILE 582 Ca 0.29 -0.44 0.09 0.00 1.00 0.00 0.00 64.86 65.80 1cza h ILE 582 Cb 0.04 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 36.98 1cza h ILE 582 CO -0.04 0.15 -0.04 -1.28 0.00 0.00 0.00 178.15 176.94 1cza h SER 583 N 0.31 -0.28 -0.49 1.72 0.87 -0.83 -0.00 113.55 114.84 1cza h SER 583 Ca 0.09 0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.82 1cza h SER 583 Cb 0.13 0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.27 1cza h SER 583 CO -0.01 -0.10 0.24 -0.78 -0.53 0.00 0.00 176.83 175.65 1cza h ASP 584 N 0.07 0.34 -0.49 6.23 1.82 -1.03 -2.39 116.42 120.98 1cza h ASP 584 Ca 0.24 0.03 -0.09 0.00 -0.39 0.00 0.00 57.03 56.82 1cza h ASP 584 Cb 0.36 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.32 1cza h ASP 584 CO -0.43 0.23 -0.03 0.15 -1.61 0.00 0.00 179.24 177.56 1cza h PHE 585 N 0.47 1.01 -0.47 0.28 3.57 -0.60 0.21 116.94 121.41 1cza h PHE 585 Ca 0.22 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1cza h PHE 585 Cb 0.14 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1cza h PHE 585 CO -0.11 0.92 0.04 -0.07 -2.23 0.00 0.00 178.31 176.86 1cza h LEU 586 N 0.85 0.70 -0.33 0.59 3.38 -0.59 0.32 115.31 120.23 1cza h LEU 586 Ca 0.15 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1cza h LEU 586 Cb 0.54 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1cza h LEU 586 CO 0.03 0.75 -0.43 -0.78 0.09 0.00 0.00 178.44 178.10 1cza h ASP 587 N 0.70 0.96 -0.59 -0.43 3.58 -0.98 -0.16 116.42 119.51 1cza h ASP 587 Ca 0.15 -0.49 -0.02 0.00 0.42 0.00 0.00 57.03 57.08 1cza h ASP 587 Cb 0.38 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 1cza h ASP 587 CO 0.01 1.26 0.30 0.22 -2.88 0.00 0.00 179.24 178.15 1cza h TYR 588 N 0.68 0.85 0.00 0.28 3.20 -0.03 -2.34 116.97 119.61 1cza h TYR 588 Ca 0.04 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1cza h TYR 588 Cb 1.03 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.03 1cza h TYR 588 CO 0.07 0.63 -0.89 -1.33 -1.64 0.00 0.00 178.16 174.99 1cza n MET 589 N -4.36 0.32 -1.88 1.82 2.81 0.05 -4.96 117.12 110.93 1cza n MET 589 Ca 0.06 0.04 -0.01 0.00 -1.81 0.00 0.00 57.70 55.97 1cza n MET 589 Cb 0.13 -1.65 -0.00 0.00 -0.71 0.00 0.00 33.22 30.99 1cza n MET 589 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1cza n GLY 590 N 1.34 0.35 3.68 3.03 0.00 -0.20 -4.98 105.19 108.40 1cza n GLY 590 Ca 0.02 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1cza n GLY 590 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cza s ILE 591 N -2.04 4.81 0.26 -0.61 1.01 -0.42 -5.01 121.20 119.20 1cza s ILE 591 Ca 0.00 1.91 -0.02 0.00 0.00 0.00 0.00 60.65 62.54 1cza s ILE 591 Cb 0.00 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 1cza s ILE 591 CO 0.00 -0.00 0.30 -1.59 0.00 0.00 0.00 174.94 173.65 1cza s LYS 592 N 2.14 1.53 0.00 2.79 -2.85 -1.26 -4.77 119.74 117.31 1cza s LYS 592 Ca 0.45 -1.66 0.00 0.00 -1.00 0.00 0.00 55.97 53.76 1cza s LYS 592 Cb -0.17 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 1cza s LYS 592 CO 0.15 -0.57 0.00 0.41 0.10 0.00 0.00 175.35 175.44 1cza n GLY 593 N -0.42 -4.18 3.39 0.59 0.00 -1.26 -5.02 105.19 98.29 1cza n GLY 593 Ca 0.02 -2.10 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 1cza n GLY 593 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cza n PRO 594 N -0.03 0.19 -1.86 1.61 -0.02 -1.26 -4.85 135.00 128.78 1cza n PRO 594 Ca 0.00 0.10 -0.41 0.00 -2.02 0.00 0.00 63.50 61.16 1cza n PRO 594 Cb 0.00 -1.65 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 1cza n PRO 594 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1cza s ARG 595 N -2.54 4.17 0.14 -0.52 1.70 -1.26 -4.99 118.95 115.65 1cza s ARG 595 Ca 0.61 2.48 -0.03 0.00 -0.47 0.00 0.00 55.73 58.33 1cza s ARG 595 Cb -0.34 -3.05 -0.05 0.00 -0.57 0.00 0.00 34.95 30.94 1cza s ARG 595 CO 0.62 -0.56 0.35 -1.64 -1.08 0.00 0.00 175.30 172.99 1cza s MET 596 N -0.48 3.56 0.39 3.89 -1.94 -1.26 -4.80 119.30 118.65 1cza s MET 596 Ca 0.62 -0.21 -0.25 0.00 -1.71 0.00 0.00 55.69 54.13 1cza s MET 596 Cb -0.46 -2.88 -0.09 0.00 2.01 0.00 0.00 34.83 33.41 1cza s MET 596 CO 0.47 0.48 1.16 -1.25 -0.01 0.00 0.00 175.02 175.86 1cza s PRO 597 N -2.75 4.12 -0.02 2.03 0.04 -1.26 -1.63 135.00 135.53 1cza s PRO 597 Ca 0.39 1.81 0.02 0.00 0.04 0.00 0.00 61.00 63.27 1cza s PRO 597 Cb -0.12 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1cza s PRO 597 CO 0.26 -0.26 -0.07 -1.17 0.04 0.00 0.00 177.00 175.80 1cza s LEU 598 N -2.41 1.82 -0.12 -3.56 0.20 0.13 -1.74 118.68 113.00 1cza s LEU 598 Ca 0.56 -0.14 -0.02 0.00 0.69 0.00 0.00 54.13 55.22 1cza s LEU 598 Cb -0.30 -0.43 -0.03 0.00 -0.43 0.00 0.00 46.19 45.01 1cza s LEU 598 CO 0.38 0.05 -0.07 -0.83 -0.29 0.00 0.00 176.35 175.60 1cza s GLY 599 N 0.13 1.68 -0.43 7.98 0.00 -0.34 -1.28 107.32 115.06 1cza s GLY 599 Ca -0.02 -0.85 -0.08 0.00 0.00 0.00 0.00 44.72 43.77 1cza s GLY 599 CO -0.00 -0.27 0.27 -0.12 0.00 0.00 0.00 173.10 172.97 1cza s PHE 600 N 0.00 3.41 -0.36 1.90 5.99 0.14 -1.20 117.98 127.86 1cza s PHE 600 Ca -0.01 -1.80 -0.29 0.00 0.00 0.00 0.00 56.93 54.83 1cza s PHE 600 Cb -0.14 -3.14 0.02 0.00 0.00 0.00 0.00 43.02 39.76 1cza s PHE 600 CO 0.03 -0.91 1.10 0.99 -0.00 0.00 0.00 175.22 176.43 1cza s THR 601 N 1.35 4.42 -0.28 0.12 2.01 -0.36 -0.48 115.64 122.42 1cza s THR 601 Ca 0.04 1.60 -0.00 0.00 0.31 0.00 0.00 61.69 63.64 1cza s THR 601 Cb -0.24 -4.45 0.08 0.00 0.01 0.00 0.00 72.50 67.90 1cza s THR 601 CO -0.00 -0.61 0.05 0.12 -0.69 0.00 0.00 174.62 173.49 1cza s PHE 602 N 3.88 1.99 -1.28 4.92 2.19 -0.30 -1.34 117.98 128.03 1cza s PHE 602 Ca 0.46 -1.75 -0.07 0.00 0.33 0.00 0.00 56.93 55.90 1cza s PHE 602 Cb -0.11 -1.72 0.16 0.00 -1.31 0.00 0.00 43.02 40.04 1cza s PHE 602 CO 0.20 -0.82 2.05 -1.13 1.83 0.00 0.00 175.22 177.35 1cza n SER 603 N 4.77 6.32 -3.96 6.13 3.41 -0.00 -4.35 113.62 125.94 1cza n SER 603 Ca -0.05 -3.14 -0.08 0.00 -0.26 0.00 0.00 58.87 55.34 1cza n SER 603 Cb 0.43 -1.42 -0.08 0.00 -0.26 0.00 0.00 64.21 62.88 1cza n SER 603 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1cza s PHE 604 N -0.42 0.34 0.01 7.33 0.40 -1.26 -4.88 117.98 119.49 1cza s PHE 604 Ca 0.45 -0.80 -0.30 0.00 -0.60 0.00 0.00 56.93 55.68 1cza s PHE 604 Cb 0.13 -0.19 -0.05 0.00 0.51 0.00 0.00 43.02 43.42 1cza s PHE 604 CO -0.03 -0.51 1.24 -1.25 0.70 0.00 0.00 175.22 175.37 1cza s PRO 605 N -3.90 4.38 -0.01 0.24 0.04 -1.26 -4.92 135.00 129.56 1cza s PRO 605 Ca 0.08 1.78 0.03 0.00 0.04 0.00 0.00 61.00 62.92 1cza s PRO 605 Cb 0.06 -3.45 -0.00 0.00 0.04 0.00 0.00 34.50 31.14 1cza s PRO 605 CO -0.09 -0.38 -0.09 0.00 0.04 0.00 0.00 177.00 176.48 1cza s GLN 607 N -0.06 3.24 -0.07 0.00 2.00 0.56 -4.79 119.66 120.53 1cza s GLN 607 Ca 0.01 -0.52 -0.13 0.00 -2.00 0.00 0.00 55.36 52.72 1cza s GLN 607 Cb -0.06 -4.05 -0.05 0.00 0.80 0.00 0.00 33.01 29.65 1cza s GLN 607 CO -0.00 -1.30 0.31 -0.65 -0.50 0.00 0.00 175.29 173.16 1cza s GLN 608 N 3.23 3.88 0.00 1.67 -0.21 -1.26 -1.09 119.66 125.87 1cza s GLN 608 Ca 0.23 0.20 0.20 0.00 0.02 0.00 0.00 55.36 56.01 1cza s GLN 608 Cb -0.15 -3.26 -0.20 0.00 1.00 0.00 0.00 33.01 30.40 1cza s GLN 608 CO 0.16 0.60 0.87 0.25 -2.12 0.00 0.00 175.29 175.05 1cza n THR 609 N 2.30 0.00 -3.86 -0.19 -2.24 -1.24 -4.91 114.28 104.14 1cza n THR 609 Ca -0.15 -0.05 -0.05 0.00 -2.27 0.00 0.00 64.05 61.52 1cza n THR 609 Cb 0.53 1.03 0.02 0.00 -2.10 0.00 0.00 70.33 69.81 1cza n THR 609 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1cza s SER 610 N -2.83 0.03 0.44 3.42 1.04 -1.26 -5.01 113.70 109.52 1cza s SER 610 Ca 0.09 -0.90 0.12 0.00 0.48 0.00 0.00 55.95 55.73 1cza s SER 610 Cb 0.15 0.65 0.97 0.00 0.10 0.00 0.00 66.02 67.89 1cza s SER 610 CO 0.79 -1.29 2.02 0.25 0.98 0.00 0.00 173.24 175.99 1cza h LEU 611 N 2.00 0.16 -3.46 2.42 5.85 -1.85 -2.91 115.31 117.52 1cza h LEU 611 Ca -0.30 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 1cza h LEU 611 Cb 1.23 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1cza h LEU 611 CO 0.39 0.23 0.03 -0.90 -0.34 0.00 0.00 178.44 177.85 1cza n ASP 612 N -4.39 4.77 -3.83 1.25 5.75 -1.25 -1.13 116.55 117.71 1cza n ASP 612 Ca -0.01 -3.04 -0.17 0.00 -0.01 0.00 0.00 54.79 51.56 1cza n ASP 612 Cb 0.18 -0.64 -0.16 0.00 -1.03 0.00 0.00 41.12 39.47 1cza n ASP 612 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cza s ALA 613 N -2.85 0.35 -0.21 2.12 0.00 -1.10 -4.80 121.76 115.27 1cza s ALA 613 Ca 0.49 0.13 -0.05 0.00 0.00 0.00 0.00 51.96 52.53 1cza s ALA 613 Cb 0.39 -0.31 0.10 0.00 0.00 0.00 0.00 23.12 23.31 1cza s ALA 613 CO 0.12 -0.05 0.40 0.20 0.00 0.00 0.00 175.76 176.43 1cza s GLY 614 N 0.92 -0.37 -0.17 0.00 0.00 -1.26 -3.64 107.32 102.80 1cza s GLY 614 Ca -0.10 1.27 -0.19 0.00 0.00 0.00 0.00 44.72 45.71 1cza s GLY 614 CO -0.01 2.47 0.55 -0.42 0.00 0.00 0.00 173.10 175.69 1cza s ILE 615 N 2.58 5.10 0.00 0.90 -1.09 -0.25 -1.23 121.20 127.22 1cza s ILE 615 Ca 0.03 1.05 -0.30 0.00 -2.23 0.00 0.00 60.65 59.20 1cza s ILE 615 Cb -0.13 -3.88 -0.06 0.00 -1.58 0.00 0.00 42.46 36.81 1cza s ILE 615 CO -0.14 0.20 1.57 -0.22 -1.23 0.00 0.00 174.94 175.12 1cza s LEU 616 N 1.39 4.33 -0.03 2.97 2.96 -0.97 -0.33 118.68 129.02 1cza s LEU 616 Ca 0.27 2.27 -0.05 0.00 -0.22 0.00 0.00 54.13 56.40 1cza s LEU 616 Cb -0.16 -3.55 -0.28 0.00 0.50 0.00 0.00 46.19 42.70 1cza s LEU 616 CO 0.11 -0.84 0.75 0.40 -1.32 0.00 0.00 176.35 175.44 1cza h ILE 617 N 5.09 1.03 -1.55 6.68 2.04 -1.51 0.15 117.51 129.44 1cza h ILE 617 Ca -0.40 -2.66 0.14 0.00 1.00 0.00 0.00 64.86 62.94 1cza h ILE 617 Cb 1.18 2.73 -0.22 0.00 -0.74 0.00 0.00 36.82 39.77 1cza h ILE 617 CO 0.93 0.82 0.65 0.28 0.00 0.00 0.00 178.15 180.83 1cza s THR 618 N -2.60 0.00 0.44 -0.27 -1.32 -1.26 -4.75 115.64 105.89 1cza s THR 618 Ca -0.12 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.22 1cza s THR 618 Cb 0.06 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.98 1cza s THR 618 CO 0.85 0.00 0.86 0.26 -2.21 0.00 0.00 174.62 174.38 1cza s TRP 619 N -1.51 3.44 0.34 9.09 0.52 -1.26 -4.41 118.94 125.14 1cza s TRP 619 Ca 0.03 1.26 0.05 0.00 0.02 0.00 0.00 56.10 57.46 1cza s TRP 619 Cb -0.01 -2.62 -0.03 0.00 -1.15 0.00 0.00 33.47 29.67 1cza s TRP 619 CO -0.02 -0.19 0.22 0.95 0.02 0.00 0.00 176.95 177.93 1cza s THR 620 N -2.42 0.17 0.00 2.01 -4.23 -1.26 -5.01 115.64 104.90 1cza s THR 620 Ca 0.55 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1cza s THR 620 Cb -0.10 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1cza s THR 620 CO 0.29 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.66 1cza n LYS 621 N -0.66 0.00 -0.39 3.99 5.02 -1.26 -3.18 118.16 121.68 1cza n LYS 621 Ca 0.03 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.43 1cza n LYS 621 Cb 0.63 0.00 0.31 0.00 -0.02 0.00 0.00 35.03 35.96 1cza n LYS 621 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cza n GLY 622 N 0.00 2.57 3.78 0.72 0.00 -1.26 -4.89 105.19 106.11 1cza n GLY 622 Ca 0.00 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 1cza n GLY 622 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cza s PHE 623 N -1.10 3.75 0.00 1.61 0.40 -1.19 -4.73 117.98 116.71 1cza s PHE 623 Ca 0.47 1.73 0.00 0.00 -0.60 0.00 0.00 56.93 58.54 1cza s PHE 623 Cb 0.25 -2.87 0.00 0.00 0.51 0.00 0.00 43.02 40.91 1cza s PHE 623 CO 0.31 0.29 0.61 1.63 0.70 0.00 0.00 175.22 178.77 1cza n LYS 624 N 0.81 0.00 -1.68 0.44 4.76 0.06 -4.46 118.16 118.09 1cza n LYS 624 Ca 0.00 -0.36 -0.44 0.00 -2.87 0.00 0.00 58.31 54.64 1cza n LYS 624 Cb 0.50 -0.20 -0.02 0.00 -1.84 0.00 0.00 35.03 33.46 1cza n LYS 624 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cza n ALA 625 N 0.00 1.31 -1.69 7.82 0.00 -0.89 -4.71 120.51 122.35 1cza n ALA 625 Ca 0.00 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.53 1cza n ALA 625 Cb 0.57 -2.30 0.03 0.00 0.00 0.00 0.00 19.45 17.75 1cza n ALA 625 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1cza s THR 626 N -0.14 4.24 -1.40 0.00 -4.23 0.21 -3.99 115.64 110.33 1cza s THR 626 Ca 0.67 0.80 -0.08 0.00 -1.18 0.00 0.00 61.69 61.90 1cza s THR 626 Cb -0.62 -3.56 0.04 0.00 1.34 0.00 0.00 72.50 69.70 1cza s THR 626 CO 0.51 -0.88 0.95 0.47 -0.54 0.00 0.00 174.62 175.12 1cza n ASP 627 N -2.75 -3.83 0.00 3.99 8.00 -1.26 0.23 116.55 120.93 1cza n ASP 627 Ca 0.07 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.85 1cza n ASP 627 Cb 0.54 -4.30 0.00 0.00 -0.02 0.00 0.00 41.12 37.34 1cza n ASP 627 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cza s VAL 629 N -1.92 2.54 0.00 0.00 1.01 -1.26 -0.57 120.40 120.20 1cza s VAL 629 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1cza s VAL 629 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1cza s VAL 629 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1cza n GLY 630 N 3.98 0.78 3.74 4.51 0.00 0.54 -4.98 105.19 113.77 1cza n GLY 630 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1cza n GLY 630 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1cza s HIS 631 N -2.88 3.05 -0.21 1.61 4.02 0.27 -4.85 115.29 116.31 1cza s HIS 631 Ca 0.00 -0.04 -0.29 0.00 1.02 0.00 0.00 55.06 55.75 1cza s HIS 631 Cb 0.00 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.58 30.06 1cza s HIS 631 CO 0.00 0.51 1.24 0.34 1.02 0.00 0.00 174.74 177.86 1cza s ASP 632 N -2.84 6.90 0.56 1.40 -1.08 -1.26 -2.29 116.67 118.07 1cza s ASP 632 Ca 0.29 1.54 0.35 0.00 -0.52 0.00 0.00 52.55 54.20 1cza s ASP 632 Cb -0.10 -2.54 1.49 0.00 -1.46 0.00 0.00 42.92 40.31 1cza s ASP 632 CO 0.21 -0.83 2.03 -0.37 0.52 0.00 0.00 175.17 176.73 1cza h VAL 633 N 5.60 0.01 -0.35 1.11 -1.51 -1.51 -1.52 116.25 118.09 1cza h VAL 633 Ca -0.25 -0.46 -0.16 0.00 -1.23 0.00 0.00 66.70 64.59 1cza h VAL 633 Cb 1.10 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.71 1cza h VAL 633 CO 0.99 0.00 -0.41 0.58 -1.23 0.00 0.00 177.57 177.50 1cza h VAL 634 N 0.00 1.28 -0.49 7.19 2.07 -1.87 -1.00 116.25 123.43 1cza h VAL 634 Ca -0.00 -1.59 -0.04 0.00 0.82 0.00 0.00 66.70 65.89 1cza h VAL 634 Cb 0.45 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1cza h VAL 634 CO 0.00 0.53 0.14 0.74 0.02 0.00 0.00 177.57 178.99 1cza h THR 635 N 0.71 1.23 -0.61 2.57 2.02 -1.78 0.42 112.91 117.48 1cza h THR 635 Ca 0.05 -0.79 0.02 0.00 0.77 0.00 0.00 66.41 66.46 1cza h THR 635 Cb 1.00 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 1cza h THR 635 CO 0.10 0.29 0.38 -0.07 0.37 0.00 0.00 175.52 176.59 1cza h LEU 636 N 0.66 0.64 -0.08 2.58 3.38 -1.08 0.28 115.31 121.68 1cza h LEU 636 Ca 0.15 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1cza h LEU 636 Cb 0.29 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1cza h LEU 636 CO -0.00 0.45 -0.01 0.25 0.09 0.00 0.00 178.44 179.22 1cza h LEU 637 N 0.77 0.15 -1.11 1.67 5.85 -0.80 -1.98 115.31 119.86 1cza h LEU 637 Ca 0.24 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.66 1cza h LEU 637 Cb -0.02 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 1cza h LEU 637 CO -0.08 0.46 0.61 0.03 -0.34 0.00 0.00 178.44 179.11 1cza h ARG 638 N -0.16 1.09 -0.49 1.25 3.08 0.15 -1.09 114.38 118.20 1cza h ARG 638 Ca 0.02 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1cza h ARG 638 Cb 0.39 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1cza h ARG 638 CO 0.01 0.72 0.21 -0.44 -1.07 0.00 0.00 179.97 179.40 1cza h ASP 639 N 1.12 0.66 -0.12 7.04 3.32 -0.39 -1.93 116.42 126.13 1cza h ASP 639 Ca 0.38 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 1cza h ASP 639 Cb 0.09 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1cza h ASP 639 CO -0.13 0.63 -0.10 0.00 -1.72 0.00 0.00 179.24 177.92 1cza h ALA 640 N 1.06 1.33 -0.44 3.45 0.00 -0.58 -0.19 119.26 123.88 1cza h ALA 640 Ca 0.17 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1cza h ALA 640 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1cza h ALA 640 CO -0.02 0.45 -0.08 0.82 0.00 0.00 0.00 179.25 180.43 1cza h ILE 641 N 0.42 1.27 -0.69 0.00 2.04 -0.90 -2.89 117.51 116.75 1cza h ILE 641 Ca 0.08 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.72 1cza h ILE 641 Cb 0.43 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1cza h ILE 641 CO 0.02 0.40 0.22 0.11 0.00 0.00 0.00 178.15 178.90 1cza h LYS 642 N 0.67 1.06 -0.70 2.37 1.57 -0.90 -2.22 116.57 118.41 1cza h LYS 642 Ca 0.12 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1cza h LYS 642 Cb 0.60 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1cza h LYS 642 CO 0.04 0.90 0.28 0.00 -0.57 0.00 0.00 179.45 180.10 1cza h ARG 643 N 1.02 1.04 -0.07 3.15 3.08 -1.01 -2.50 114.38 119.09 1cza h ARG 643 Ca 0.23 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 59.97 1cza h ARG 643 Cb 0.28 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1cza h ARG 643 CO -0.01 0.85 -0.53 -0.09 -1.07 0.00 0.00 179.97 179.11 1cza h ARG 644 N 1.02 0.19 -6.02 0.04 2.43 -1.24 -3.47 114.38 107.33 1cza h ARG 644 Ca 0.24 -0.12 -0.41 0.00 -0.81 0.00 0.00 59.98 58.88 1cza h ARG 644 Cb 0.19 0.01 0.07 0.00 -0.42 0.00 0.00 29.97 29.83 1cza h ARG 644 CO -0.02 0.68 -0.80 -1.91 -1.51 0.00 0.00 179.97 176.41 1cza n GLU 645 N -3.92 -5.59 0.00 0.20 4.07 -0.87 -4.91 120.64 109.61 1cza n GLU 645 Ca -0.02 0.68 0.00 0.00 -0.06 0.00 0.00 57.16 57.76 1cza n GLU 645 Cb 0.56 -5.42 0.00 0.00 -0.06 0.00 0.00 31.44 26.52 1cza n GLU 645 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1cza n GLU 646 N -4.37 0.00 -1.80 5.31 1.02 -1.26 -5.10 120.64 114.44 1cza n GLU 646 Ca -0.22 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.62 1cza n GLU 646 Cb 0.64 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 32.11 1cza n GLU 646 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1cza s PHE 647 N 0.27 3.30 0.28 -0.32 -0.12 -1.26 -5.07 117.98 115.06 1cza s PHE 647 Ca 0.00 1.16 0.12 0.00 -0.05 0.00 0.00 56.93 58.16 1cza s PHE 647 Cb 0.00 -2.97 -0.05 0.00 -0.63 0.00 0.00 43.02 39.37 1cza s PHE 647 CO 0.00 -1.15 -0.17 0.34 -0.05 0.00 0.00 175.22 174.18 1cza s ASP 648 N -4.18 3.72 0.03 1.98 3.68 -1.26 -4.87 116.67 115.76 1cza s ASP 648 Ca 0.58 -0.98 -0.10 0.00 2.13 0.00 0.00 52.55 54.17 1cza s ASP 648 Cb -0.12 -0.37 0.01 0.00 -1.45 0.00 0.00 42.92 40.99 1cza s ASP 648 CO 0.53 0.03 0.21 -0.76 0.13 0.00 0.00 175.17 175.32 1cza s LEU 649 N -3.53 1.28 -0.53 -1.34 1.43 -1.26 -4.49 118.68 110.23 1cza s LEU 649 Ca 0.30 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 53.05 1cza s LEU 649 Cb -0.05 1.01 0.14 0.00 0.03 0.00 0.00 46.19 47.31 1cza s LEU 649 CO 0.16 -0.54 0.38 -0.62 0.23 0.00 0.00 176.35 175.96 1cza s ASP 650 N -1.95 5.57 -0.47 2.29 2.15 -0.65 -4.96 116.67 118.65 1cza s ASP 650 Ca -0.07 -2.26 -0.29 0.00 0.43 0.00 0.00 52.55 50.36 1cza s ASP 650 Cb -0.02 -1.95 0.02 0.00 -0.30 0.00 0.00 42.92 40.67 1cza s ASP 650 CO -0.03 -0.56 1.32 -0.69 -0.17 0.00 0.00 175.17 175.04 1cza s VAL 651 N 0.82 3.97 -0.15 1.11 1.01 -1.26 0.19 120.40 126.09 1cza s VAL 651 Ca 0.10 0.96 0.22 0.00 0.00 0.00 0.00 61.98 63.26 1cza s VAL 651 Cb -0.22 -4.41 -0.22 0.00 0.00 0.00 0.00 36.38 31.53 1cza s VAL 651 CO -0.03 -0.96 0.69 0.52 0.00 0.00 0.00 175.10 175.32 1cza n VAL 652 N 6.95 0.20 -3.57 2.92 0.31 -0.41 -4.91 118.33 119.82 1cza n VAL 652 Ca 0.14 -0.49 -0.15 0.00 -0.01 0.00 0.00 64.34 63.83 1cza n VAL 652 Cb 0.49 -0.06 -0.06 0.00 -0.91 0.00 0.00 33.84 33.29 1cza n VAL 652 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cza s ALA 653 N -3.44 -1.81 -0.13 3.52 0.00 -1.22 -3.94 121.76 114.74 1cza s ALA 653 Ca -0.05 1.59 0.03 0.00 0.00 0.00 0.00 51.96 53.53 1cza s ALA 653 Cb 0.13 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1cza s ALA 653 CO 0.87 -0.34 -0.21 0.54 0.00 0.00 0.00 175.76 176.61 1cza s VAL 654 N -0.64 2.20 0.01 0.00 0.11 -0.28 0.28 120.40 122.08 1cza s VAL 654 Ca -0.06 -0.95 0.04 0.00 -2.93 0.00 0.00 61.98 58.09 1cza s VAL 654 Cb -0.02 -1.88 -0.01 0.00 -1.53 0.00 0.00 36.38 32.94 1cza s VAL 654 CO 0.05 0.55 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.54 1cza s VAL 655 N 0.62 1.09 0.67 2.04 1.01 0.36 -4.86 120.40 121.33 1cza s VAL 655 Ca -0.11 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 1cza s VAL 655 Cb -0.16 -0.94 -0.00 0.00 0.00 0.00 0.00 36.38 35.27 1cza s VAL 655 CO 0.03 0.19 1.07 0.21 0.00 0.00 0.00 175.10 176.59 1cza s ASN 656 N -0.64 5.39 0.49 3.32 3.84 -1.26 -1.15 114.94 124.93 1cza s ASN 656 Ca 0.04 1.75 0.27 0.00 0.21 0.00 0.00 52.86 55.13 1cza s ASN 656 Cb -0.06 -2.52 1.17 0.00 -0.55 0.00 0.00 41.25 39.29 1cza s ASN 656 CO 0.00 -1.44 1.93 -2.24 -2.79 0.00 0.00 177.10 172.56 1cza h ASP 657 N -0.28 0.00 -0.06 -4.21 -0.00 -1.93 -1.94 116.42 107.99 1cza h ASP 657 Ca -0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 56.58 1cza h ASP 657 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.55 1cza h ASP 657 CO 0.56 0.15 0.03 0.71 -0.00 0.00 0.00 179.24 180.69 1cza h THR 658 N 0.00 1.12 -0.45 1.15 1.35 -1.92 -0.44 112.91 113.72 1cza h THR 658 Ca -0.00 -0.36 -0.05 0.00 -0.55 0.00 0.00 66.41 65.45 1cza h THR 658 Cb 0.59 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 68.25 1cza h THR 658 CO 0.02 0.10 0.10 0.58 -0.25 0.00 0.00 175.52 176.07 1cza h VAL 659 N -0.04 1.24 -0.29 6.82 2.07 -1.82 -0.42 116.25 123.81 1cza h VAL 659 Ca 0.02 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 1cza h VAL 659 Cb 0.14 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1cza h VAL 659 CO -0.00 0.29 -0.05 1.23 0.02 0.00 0.00 177.57 179.06 1cza h GLY 660 N 0.60 0.50 1.00 2.17 0.00 -1.26 -1.56 103.07 104.53 1cza h GLY 660 Ca 0.14 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 1cza h GLY 660 CO 0.00 0.29 -0.21 -0.84 0.00 0.00 0.00 176.54 175.78 1cza h THR 661 N 0.44 1.29 -0.09 4.70 2.02 -0.48 -0.44 112.91 120.35 1cza h THR 661 Ca 0.09 -1.35 0.01 0.00 0.77 0.00 0.00 66.41 65.93 1cza h THR 661 Cb 0.37 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1cza h THR 661 CO 0.02 0.45 0.01 -0.03 0.37 0.00 0.00 175.52 176.33 1cza h MET 662 N 0.58 0.05 -0.60 6.66 -1.53 -0.95 -1.93 114.93 117.20 1cza h MET 662 Ca 0.08 -0.00 -0.08 0.00 -3.44 0.00 0.00 59.70 56.25 1cza h MET 662 Cb 0.77 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.78 1cza h MET 662 CO 0.06 0.03 0.06 0.52 0.14 0.00 0.00 176.91 177.72 1cza h MET 663 N 0.05 1.00 -0.61 0.39 2.86 -1.08 0.20 114.93 117.74 1cza h MET 663 Ca 0.04 -0.28 0.07 0.00 -2.06 0.00 0.00 59.70 57.47 1cza h MET 663 Cb 0.04 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.52 1cza h MET 663 CO -0.06 0.95 0.29 1.15 1.06 0.00 0.00 176.91 180.30 1cza h THR 664 N 0.93 0.88 -0.17 2.22 2.02 -0.96 -2.23 112.91 115.60 1cza h THR 664 Ca 0.18 -0.18 -0.19 0.00 0.77 0.00 0.00 66.41 66.99 1cza h THR 664 Cb 0.46 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1cza h THR 664 CO 0.02 0.10 -0.62 0.00 0.37 0.00 0.00 175.52 175.38 1cza n ALA 666 N -2.57 1.87 -0.36 0.00 0.00 0.66 -2.27 120.51 117.82 1cza n ALA 666 Ca -0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 1cza n ALA 666 Cb 0.66 -1.27 0.11 0.00 0.00 0.00 0.00 19.45 18.96 1cza n ALA 666 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1cza h TYR 667 N 0.00 1.20 0.00 0.00 3.20 -1.42 -3.11 116.97 116.84 1cza h TYR 667 Ca 0.00 0.03 -0.28 0.00 3.14 0.00 0.00 58.73 61.62 1cza h TYR 667 Cb 0.19 -0.40 -0.05 0.00 1.54 0.00 0.00 36.73 38.01 1cza h TYR 667 CO 0.00 0.73 -2.23 0.39 -1.64 0.00 0.00 178.16 175.41 1cza n GLU 668 N -4.44 0.86 -3.76 1.82 -0.58 -1.13 -4.95 120.64 108.47 1cza n GLU 668 Ca 0.12 -0.04 -0.37 0.00 -0.42 0.00 0.00 57.16 56.44 1cza n GLU 668 Cb 0.04 -1.49 -0.13 0.00 -0.57 0.00 0.00 31.44 29.30 1cza n GLU 668 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1cza s GLU 669 N -2.64 3.01 0.51 3.49 0.41 -0.96 -4.96 118.70 117.57 1cza s GLU 669 Ca -0.09 -0.91 0.24 0.00 -0.41 0.00 0.00 54.97 53.80 1cza s GLU 669 Cb 0.07 -3.39 1.40 0.00 -1.78 0.00 0.00 34.13 30.43 1cza s GLU 669 CO 0.79 -0.48 2.08 -1.00 -0.49 0.00 0.00 175.26 176.16 1cza h PRO 670 N 8.23 0.00 -0.00 0.39 0.13 -1.90 -0.92 132.00 137.94 1cza h PRO 670 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1cza h PRO 670 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1cza h PRO 670 CO 0.60 0.11 -0.09 0.25 -0.23 0.00 0.00 178.00 178.65 1cza n THR 671 N -3.87 0.00 -2.35 1.56 -2.24 -1.26 -4.78 114.28 101.34 1cza n THR 671 Ca -0.02 -0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.30 1cza n THR 671 Cb 0.21 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.16 1cza n THR 671 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cza n GLU 673 N 8.09 1.47 -4.20 0.00 1.02 -1.07 -4.72 120.64 121.22 1cza n GLU 673 Ca 0.16 -0.99 -0.16 0.00 -0.02 0.00 0.00 57.16 56.16 1cza n GLU 673 Cb 0.48 -0.75 -0.14 0.00 -0.02 0.00 0.00 31.44 31.01 1cza n GLU 673 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1cza s VAL 674 N -0.49 0.55 0.12 2.62 1.01 -1.22 -1.63 120.40 121.35 1cza s VAL 674 Ca 0.00 -0.50 0.11 0.00 0.00 0.00 0.00 61.98 61.58 1cza s VAL 674 Cb 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1cza s VAL 674 CO 0.00 0.02 -0.26 -0.83 0.00 0.00 0.00 175.10 174.02 1cza s GLY 675 N -0.54 1.56 -0.08 4.51 0.00 0.03 -1.02 107.32 111.79 1cza s GLY 675 Ca -0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 44.72 43.25 1cza s GLY 675 CO 0.00 -1.39 0.18 -2.27 0.00 0.00 0.00 173.10 169.62 1cza s LEU 676 N -1.93 0.62 -0.13 0.66 2.96 -0.13 -1.22 118.68 119.50 1cza s LEU 676 Ca 0.14 0.38 0.01 0.00 -0.22 0.00 0.00 54.13 54.43 1cza s LEU 676 Cb -0.10 0.49 -0.01 0.00 0.50 0.00 0.00 46.19 47.07 1cza s LEU 676 CO 0.06 -0.15 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.15 1cza s ILE 677 N 1.20 2.80 -0.47 6.68 -1.09 0.23 -1.65 121.20 128.88 1cza s ILE 677 Ca -0.09 -0.75 0.03 0.00 -2.23 0.00 0.00 60.65 57.61 1cza s ILE 677 Cb -0.11 -2.16 0.15 0.00 -1.58 0.00 0.00 42.46 38.76 1cza s ILE 677 CO -0.07 0.53 0.31 -0.69 -1.23 0.00 0.00 174.94 173.80 1cza s VAL 678 N 0.42 1.24 0.00 2.92 1.01 -0.50 -2.11 120.40 123.37 1cza s VAL 678 Ca -0.12 -2.82 0.00 0.00 0.00 0.00 0.00 61.98 59.04 1cza s VAL 678 Cb -0.16 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1cza s VAL 678 CO 0.06 -1.03 0.00 0.61 0.00 0.00 0.00 175.10 174.74 1cza n GLY 679 N 3.09 4.41 0.19 4.51 0.00 -1.26 -2.37 105.19 113.76 1cza n GLY 679 Ca 0.17 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.57 1cza n GLY 679 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1cza h THR 680 N 0.00 0.92 -5.21 2.61 2.02 -1.93 0.12 112.91 111.44 1cza h THR 680 Ca 0.00 -0.14 -0.64 0.00 0.77 0.00 0.00 66.41 66.40 1cza h THR 680 Cb 0.00 0.48 -0.11 0.00 -1.74 0.00 0.00 68.15 66.78 1cza h THR 680 CO 0.00 0.07 -0.44 0.61 0.37 0.00 0.00 175.52 176.14 1cza n GLY 681 N -1.24 3.41 2.87 2.16 0.00 -1.26 -2.19 105.19 108.94 1cza n GLY 681 Ca 0.03 -2.36 -0.16 0.00 0.00 0.00 0.00 46.02 43.54 1cza n GLY 681 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cza s SER 682 N -3.86 0.38 0.19 1.61 0.15 -1.26 -4.10 113.70 106.81 1cza s SER 682 Ca 0.06 -0.04 -0.24 0.00 0.70 0.00 0.00 55.95 56.43 1cza s SER 682 Cb -0.00 -0.13 0.05 0.00 -1.71 0.00 0.00 66.02 64.23 1cza s SER 682 CO 0.04 -0.03 0.83 0.21 1.20 0.00 0.00 173.24 175.48 1cza s ASN 683 N 0.47 -0.27 0.06 5.45 2.47 -0.90 -3.81 114.94 118.42 1cza s ASN 683 Ca -0.05 -0.40 -0.08 0.00 0.42 0.00 0.00 52.86 52.76 1cza s ASN 683 Cb -0.07 0.58 -0.01 0.00 -1.45 0.00 0.00 41.25 40.30 1cza s ASN 683 CO -0.01 -1.05 0.15 0.00 -3.72 0.00 0.00 177.10 172.48 1cza s ALA 684 N -3.55 -0.17 0.10 1.71 0.00 -1.26 -0.60 121.76 117.98 1cza s ALA 684 Ca 0.10 -0.56 -0.00 0.00 0.00 0.00 0.00 51.96 51.50 1cza s ALA 684 Cb -0.03 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1cza s ALA 684 CO 0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 175.76 175.35 1cza s TYR 686 N -3.86 -0.48 -0.39 0.00 -0.85 -0.96 -0.79 117.35 110.02 1cza s TYR 686 Ca 0.15 0.34 -0.28 0.00 -0.52 0.00 0.00 57.07 56.75 1cza s TYR 686 Cb 0.07 0.54 0.02 0.00 0.38 0.00 0.00 41.96 42.98 1cza s TYR 686 CO -0.04 -0.73 1.08 -1.64 -1.52 0.00 0.00 175.55 172.69 1cza s MET 687 N -3.39 3.88 0.20 -3.49 -1.94 -0.65 -0.42 119.30 113.49 1cza s MET 687 Ca 0.02 0.77 0.06 0.00 -1.71 0.00 0.00 55.69 54.83 1cza s MET 687 Cb -0.01 -3.82 -0.04 0.00 2.01 0.00 0.00 34.83 32.97 1cza s MET 687 CO -0.10 -1.11 0.14 -2.00 -0.01 0.00 0.00 175.02 171.93 1cza s GLU 688 N 3.96 2.85 0.30 2.03 2.56 -0.20 -4.92 118.70 125.28 1cza s GLU 688 Ca 0.45 -0.97 -0.28 0.00 0.00 0.00 0.00 54.97 54.17 1cza s GLU 688 Cb -0.10 -2.58 -0.09 0.00 2.00 0.00 0.00 34.13 33.36 1cza s GLU 688 CO 0.23 0.45 1.04 -1.21 -0.56 0.00 0.00 175.26 175.21 1cza s GLU 689 N -3.36 4.59 0.55 4.30 0.41 -1.26 -0.84 118.70 123.09 1cza s GLU 689 Ca 0.31 1.64 0.23 0.00 -0.41 0.00 0.00 54.97 56.74 1cza s GLU 689 Cb -0.09 -3.05 1.53 0.00 -1.78 0.00 0.00 34.13 30.74 1cza s GLU 689 CO 0.23 0.22 2.19 0.52 -0.49 0.00 0.00 175.26 177.93 1cza h MET 690 N 3.58 0.00 0.00 1.61 2.86 -0.96 -0.50 114.93 121.52 1cza h MET 690 Ca -0.47 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.13 1cza h MET 690 Cb 1.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 1cza h MET 690 CO 0.66 0.01 -0.23 1.57 1.06 0.00 0.00 176.91 179.99 1cza h LYS 691 N 0.00 0.00 0.00 1.72 2.10 -1.78 -2.08 116.57 116.53 1cza h LYS 691 Ca -0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1cza h LYS 691 Cb 0.03 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.36 1cza h LYS 691 CO 0.00 0.23 -0.60 -0.91 -2.00 0.00 0.00 179.45 176.17 1cza h ASN 692 N 0.00 0.00 -1.83 7.07 2.35 -1.47 -3.40 115.58 118.30 1cza h ASN 692 Ca -0.00 0.00 -0.71 0.00 -0.55 0.00 0.00 56.30 55.03 1cza h ASN 692 Cb 0.54 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.76 1cza h ASN 692 CO 0.03 0.02 1.53 -0.69 -1.65 0.00 0.00 177.43 176.67 1cza s VAL 693 N -3.29 4.75 0.41 2.81 1.01 -0.78 -4.62 120.40 120.67 1cza s VAL 693 Ca 0.03 -2.32 0.18 0.00 0.00 0.00 0.00 61.98 59.87 1cza s VAL 693 Cb 0.08 -4.98 0.19 0.00 0.00 0.00 0.00 36.38 31.67 1cza s VAL 693 CO 0.74 -1.73 1.96 -0.33 0.00 0.00 0.00 175.10 175.75 1cza h GLU 694 N 7.47 0.00 0.00 2.72 5.08 -1.74 -2.85 114.58 125.27 1cza h GLU 694 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1cza h GLU 694 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1cza h GLU 694 CO 1.29 0.22 0.00 -1.33 -1.00 0.00 0.00 179.01 178.20 1cza n MET 695 N -4.02 0.33 -4.32 2.33 2.81 -1.25 -4.61 117.12 108.39 1cza n MET 695 Ca -0.02 0.06 -0.27 0.00 -1.81 0.00 0.00 57.70 55.66 1cza n MET 695 Cb 0.30 -1.50 -0.17 0.00 -0.71 0.00 0.00 33.22 31.14 1cza n MET 695 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1cza s VAL 696 N -2.58 1.32 0.33 2.03 1.01 -1.08 -5.11 120.40 116.33 1cza s VAL 696 Ca 0.22 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 1cza s VAL 696 Cb 0.16 -1.24 -0.11 0.00 0.00 0.00 0.00 36.38 35.19 1cza s VAL 696 CO 0.36 0.41 1.46 -0.70 0.00 0.00 0.00 175.10 176.63 1cza s GLU 697 N 1.13 4.19 0.00 2.72 2.12 -1.26 -4.86 118.70 122.74 1cza s GLU 697 Ca -0.05 2.45 0.00 0.00 0.36 0.00 0.00 54.97 57.73 1cza s GLU 697 Cb -0.14 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1cza s GLU 697 CO -0.03 -0.46 0.00 0.41 -0.54 0.00 0.00 175.26 174.64 1cza n GLY 698 N 1.19 3.34 0.04 -1.50 0.00 -1.26 -5.01 105.19 101.99 1cza n GLY 698 Ca 0.03 -1.52 0.05 0.00 0.00 0.00 0.00 46.02 44.59 1cza n GLY 698 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cza n ASP 699 N 0.00 2.16 -4.67 1.61 8.00 -1.26 -4.44 116.55 117.96 1cza n ASP 699 Ca 0.00 -2.59 -0.35 0.00 0.71 0.00 0.00 54.79 52.56 1cza n ASP 699 Cb 0.00 -0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 40.77 1cza n ASP 699 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cza s GLN 700 N -2.02 3.25 2.61 -1.24 -2.07 -1.26 -4.12 119.66 114.82 1cza s GLN 700 Ca 0.18 -0.39 0.00 0.00 -1.82 0.00 0.00 55.36 53.33 1cza s GLN 700 Cb 0.15 -2.90 0.00 0.00 -1.09 0.00 0.00 33.01 29.17 1cza s GLN 700 CO 0.02 0.59 0.00 0.41 -1.32 0.00 0.00 175.29 174.98 1cza n GLY 701 N 2.51 -0.52 3.60 2.60 0.00 -1.26 -4.65 105.19 107.47 1cza n GLY 701 Ca -0.18 -1.10 -0.27 0.00 0.00 0.00 0.00 46.02 44.46 1cza n GLY 701 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cza s GLN 702 N 0.00 1.92 -0.14 1.61 -0.21 -1.26 -0.35 119.66 121.23 1cza s GLN 702 Ca 0.00 -2.11 -0.09 0.00 0.02 0.00 0.00 55.36 53.18 1cza s GLN 702 Cb 0.00 -1.39 0.05 0.00 1.00 0.00 0.00 33.01 32.67 1cza s GLN 702 CO 0.00 -0.15 0.34 1.41 -2.12 0.00 0.00 175.29 174.77 1cza s MET 703 N -3.78 0.33 0.13 2.91 1.75 -0.02 -4.50 119.30 116.12 1cza s MET 703 Ca 0.30 0.63 -0.31 0.00 -1.25 0.00 0.00 55.69 55.07 1cza s MET 703 Cb 0.08 -0.00 -0.08 0.00 2.84 0.00 0.00 34.83 37.67 1cza s MET 703 CO 0.15 -0.13 1.34 0.00 -0.65 0.00 0.00 175.02 175.72 1cza s ILE 705 N 0.83 4.08 -0.50 0.00 -1.09 0.44 -1.97 121.20 122.99 1cza s ILE 705 Ca 0.61 -0.28 -0.22 0.00 -2.23 0.00 0.00 60.65 58.53 1cza s ILE 705 Cb -0.35 -2.81 0.04 0.00 -1.58 0.00 0.00 42.46 37.75 1cza s ILE 705 CO 0.32 0.47 0.77 0.21 -1.23 0.00 0.00 174.94 175.48 1cza s ASN 706 N 0.49 6.32 0.29 3.58 2.47 0.81 -2.27 114.94 126.62 1cza s ASN 706 Ca -0.02 -0.47 0.00 0.00 0.42 0.00 0.00 52.86 52.80 1cza s ASN 706 Cb -0.14 -2.36 0.43 0.00 -1.45 0.00 0.00 41.25 37.73 1cza s ASN 706 CO 0.02 -1.00 1.81 0.24 -3.72 0.00 0.00 177.10 174.45 1cza h MET 707 N 9.08 0.71 -5.83 0.43 2.86 -1.52 -0.40 114.93 120.27 1cza h MET 707 Ca -0.26 -0.17 -0.35 0.00 -2.06 0.00 0.00 59.70 56.86 1cza h MET 707 Cb 1.09 -0.09 0.13 0.00 0.06 0.00 0.00 31.60 32.78 1cza h MET 707 CO 1.00 0.71 -0.84 0.39 1.06 0.00 0.00 176.91 179.23 1cza n GLU 708 N -4.25 -4.09 0.00 1.72 -0.58 -1.26 -2.08 120.64 110.10 1cza n GLU 708 Ca 0.02 0.72 0.11 0.00 -0.42 0.00 0.00 57.16 57.59 1cza n GLU 708 Cb 0.27 -5.38 0.53 0.00 -0.57 0.00 0.00 31.44 26.29 1cza n GLU 708 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1cza n TRP 709 N -3.94 0.00 -0.03 -0.32 4.27 -1.26 -3.08 117.44 113.08 1cza n TRP 709 Ca -0.21 0.00 0.09 0.00 -3.89 0.00 0.00 57.50 53.49 1cza n TRP 709 Cb 0.65 -0.36 0.48 0.00 -1.36 0.00 0.00 31.31 30.72 1cza n TRP 709 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 1cza h GLY 710 N 3.72 0.54 1.36 -1.67 0.00 -1.90 -1.89 103.07 103.22 1cza h GLY 710 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1cza h GLY 710 CO 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 176.54 176.66 1cza n ALA 711 N -2.50 2.57 -1.59 3.60 0.00 -1.18 -2.28 120.51 119.13 1cza n ALA 711 Ca 0.06 -0.18 -0.44 0.00 0.00 0.00 0.00 53.44 52.88 1cza n ALA 711 Cb 0.23 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 1cza n ALA 711 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1cza n PHE 712 N -1.18 1.24 0.00 0.00 7.35 -0.71 -0.94 117.46 123.22 1cza n PHE 712 Ca 0.16 0.70 0.00 0.00 -0.76 0.00 0.00 57.45 57.55 1cza n PHE 712 Cb 0.23 -2.24 0.00 0.00 0.35 0.00 0.00 39.48 37.81 1cza n PHE 712 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1cza n GLY 713 N 1.23 2.57 0.00 7.13 0.00 -1.26 -2.20 105.19 112.66 1cza n GLY 713 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 1cza n GLY 713 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cza n ASP 714 N 0.00 0.00 -1.31 1.61 9.92 -0.11 -1.57 116.55 125.09 1cza n ASP 714 Ca 0.00 0.22 0.11 0.00 -0.53 0.00 0.00 54.79 54.58 1cza n ASP 714 Cb 0.00 -0.37 0.31 0.00 -0.64 0.00 0.00 41.12 40.42 1cza n ASP 714 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1cza n ASN 715 N -1.37 3.99 0.00 -2.24 6.94 -1.26 -4.93 115.26 116.39 1cza n ASN 715 Ca 0.07 -2.09 0.00 0.00 -0.02 0.00 0.00 54.58 52.54 1cza n ASN 715 Cb 0.17 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.11 1cza n ASN 715 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cza n GLY 716 N 1.40 0.75 0.00 4.83 0.00 -0.61 -4.96 105.19 106.59 1cza n GLY 716 Ca 0.23 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.34 1cza n GLY 716 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cza n LEU 718 N -1.30 2.34 0.17 0.00 4.77 -1.26 -4.80 117.00 116.92 1cza n LEU 718 Ca 0.08 -2.70 0.06 0.00 -0.03 0.00 0.00 56.01 53.42 1cza n LEU 718 Cb 0.14 -0.29 0.54 0.00 -2.33 0.00 0.00 43.42 41.48 1cza n LEU 718 CO 0.13 0.64 1.06 0.44 -1.33 0.00 0.00 177.39 178.33 1cza h ASP 719 N 0.16 0.16 0.61 -1.43 3.45 -1.67 -1.20 116.42 116.50 1cza h ASP 719 Ca 0.00 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1cza h ASP 719 Cb 0.85 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.58 1cza h ASP 719 CO 0.01 0.16 0.00 -0.90 -1.57 0.00 0.00 179.24 176.94 1cza n ASP 720 N -4.47 0.06 -0.03 6.45 3.85 -1.26 -2.53 116.55 118.61 1cza n ASP 720 Ca -0.01 0.51 0.01 0.00 -0.71 0.00 0.00 54.79 54.59 1cza n ASP 720 Cb 0.12 -0.53 -0.00 0.00 -1.35 0.00 0.00 41.12 39.36 1cza n ASP 720 CO 0.00 0.00 0.00 2.30 -1.01 0.00 0.00 177.20 178.49 1cza n ILE 721 N -1.56 0.00 -2.48 2.12 -5.35 -0.62 -5.01 119.36 106.45 1cza n ILE 721 Ca 0.04 -0.48 -0.41 0.00 -0.27 0.00 0.00 62.75 61.63 1cza n ILE 721 Cb 0.21 1.01 -0.04 0.00 -1.74 0.00 0.00 39.64 39.08 1cza n ILE 721 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1cza s ARG 722 N -0.64 4.60 0.60 6.28 0.52 -0.55 -4.97 118.95 124.79 1cza s ARG 722 Ca 0.01 1.77 0.05 0.00 -0.52 0.00 0.00 55.73 57.04 1cza s ARG 722 Cb 0.01 -3.24 0.08 0.00 0.52 0.00 0.00 34.95 32.32 1cza s ARG 722 CO 0.04 0.11 0.82 0.95 0.02 0.00 0.00 175.30 177.24 1cza s THR 723 N -0.56 2.32 0.27 0.02 -4.23 -1.26 -4.93 115.64 107.27 1cza s THR 723 Ca 0.48 -0.83 -0.01 0.00 -1.18 0.00 0.00 61.69 60.14 1cza s THR 723 Cb -0.31 -2.49 0.27 0.00 1.34 0.00 0.00 72.50 71.32 1cza s THR 723 CO 0.37 0.00 1.86 -0.74 -0.54 0.00 0.00 174.62 175.58 1cza h HIS 724 N 0.00 1.17 -0.24 3.99 2.76 -1.99 -0.91 115.15 119.94 1cza h HIS 724 Ca -0.35 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 57.75 1cza h HIS 724 Cb 1.28 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 29.85 1cza h HIS 724 CO 0.22 0.55 -0.29 1.88 -1.30 0.00 0.00 177.93 178.99 1cza h TYR 725 N 1.10 0.54 -0.19 5.26 -1.99 -1.95 -1.11 116.97 118.63 1cza h TYR 725 Ca 0.45 -0.13 -0.15 0.00 2.00 0.00 0.00 58.73 60.91 1cza h TYR 725 Cb 0.29 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 38.89 1cza h TYR 725 CO -0.00 0.73 -0.45 -0.44 -0.00 0.00 0.00 178.16 177.99 1cza h ASP 726 N 0.42 0.73 -0.53 3.88 3.32 -1.70 -1.90 116.42 120.63 1cza h ASP 726 Ca 0.05 -0.57 0.01 0.00 0.02 0.00 0.00 57.03 56.55 1cza h ASP 726 Cb 0.73 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 1cza h ASP 726 CO 0.06 1.16 0.34 0.03 -1.72 0.00 0.00 179.24 179.11 1cza h ARG 727 N 0.33 0.67 -0.21 3.56 3.08 -1.05 -0.94 114.38 119.81 1cza h ARG 727 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1cza h ARG 727 Cb 1.06 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1cza h ARG 727 CO 0.10 0.44 0.14 -0.07 -1.07 0.00 0.00 179.97 179.51 1cza h LEU 728 N 0.69 0.24 -0.62 3.04 3.38 -1.12 0.47 115.31 121.38 1cza h LEU 728 Ca 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1cza h LEU 728 Cb -0.04 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1cza h LEU 728 CO -0.06 0.18 0.40 0.58 0.09 0.00 0.00 178.44 179.62 1cza h VAL 729 N 0.28 1.17 -0.43 1.22 2.07 -0.91 -1.53 116.25 118.13 1cza h VAL 729 Ca 0.08 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 1cza h VAL 729 Cb -0.03 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1cza h VAL 729 CO -0.02 0.17 -0.16 -0.78 0.02 0.00 0.00 177.57 176.81 1cza h ASP 730 N 0.84 0.88 -0.22 0.57 3.58 -0.98 -2.64 116.42 118.46 1cza h ASP 730 Ca 0.23 -0.39 -0.03 0.00 0.42 0.00 0.00 57.03 57.26 1cza h ASP 730 Cb -0.07 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.73 1cza h ASP 730 CO -0.05 1.06 0.05 -0.08 -2.88 0.00 0.00 179.24 177.35 1cza h GLU 731 N 0.68 0.45 -0.13 0.28 4.81 -0.58 -1.67 114.58 118.41 1cza h GLU 731 Ca 0.10 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1cza h GLU 731 Cb 0.71 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1cza h GLU 731 CO 0.05 0.44 0.00 0.66 -0.73 0.00 0.00 179.01 179.43 1cza n TYR 732 N -4.34 0.16 -2.20 0.92 4.02 -0.60 -4.86 117.16 110.25 1cza n TYR 732 Ca 0.01 -0.08 -0.26 0.00 -0.01 0.00 0.00 57.90 57.56 1cza n TYR 732 Cb 0.19 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.61 1cza n TYR 732 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1cza s SER 733 N -1.74 4.43 0.48 7.72 1.04 -0.63 -4.99 113.70 120.02 1cza s SER 733 Ca 0.34 0.31 0.30 0.00 0.48 0.00 0.00 55.95 57.38 1cza s SER 733 Cb 0.19 -0.81 1.06 0.00 0.10 0.00 0.00 66.02 66.56 1cza s SER 733 CO 0.30 -1.85 1.86 -0.07 0.98 0.00 0.00 173.24 174.45 1cza h LEU 734 N -0.79 0.00 -5.86 2.42 3.38 -1.90 -3.30 115.31 109.26 1cza h LEU 734 Ca -0.43 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.02 1cza h LEU 734 Cb 1.29 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.64 1cza h LEU 734 CO 0.54 0.00 -1.05 -0.46 0.09 0.00 0.00 178.44 177.56 1cza n ASN 735 N -2.98 1.65 -4.68 -0.43 6.94 -1.26 -5.10 115.26 109.40 1cza n ASN 735 Ca 0.02 -3.13 -0.45 0.00 -0.02 0.00 0.00 54.58 51.00 1cza n ASN 735 Cb 0.36 -0.61 -0.03 0.00 -2.36 0.00 0.00 39.78 37.14 1cza n ASN 735 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1cza n ALA 736 N 0.32 1.25 0.00 -2.53 0.00 -1.25 -1.62 120.51 116.68 1cza n ALA 736 Ca 0.26 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1cza n ALA 736 Cb 0.58 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1cza n ALA 736 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cza n GLY 737 N 2.20 1.68 3.56 0.00 0.00 -1.26 -5.05 105.19 106.32 1cza n GLY 737 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1cza n GLY 737 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cza s LYS 738 N -0.60 1.99 -1.44 1.61 -0.14 -0.64 -4.68 119.74 115.84 1cza s LYS 738 Ca 0.00 -1.53 -0.11 0.00 -1.36 0.00 0.00 55.97 52.98 1cza s LYS 738 Cb 0.00 -2.00 0.05 0.00 -1.68 0.00 0.00 37.83 34.19 1cza s LYS 738 CO 0.00 0.36 1.05 1.04 -0.76 0.00 0.00 175.35 177.05 1cza n GLN 739 N -0.59 -6.54 -0.25 1.68 1.13 -1.26 -4.91 117.38 106.63 1cza n GLN 739 Ca -0.07 0.70 -0.05 0.00 -1.94 0.00 0.00 57.00 55.64 1cza n GLN 739 Cb 0.59 -5.65 0.05 0.00 0.11 0.00 0.00 30.24 25.34 1cza n GLN 739 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1cza h ARG 740 N -2.32 0.95 -0.40 -1.09 3.08 -1.70 -1.71 114.38 111.19 1cza h ARG 740 Ca -0.58 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.38 1cza h ARG 740 Cb 1.37 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 1cza h ARG 740 CO 0.61 0.65 0.18 -0.92 -1.07 0.00 0.00 179.97 179.42 1cza h TYR 741 N 0.96 0.59 -0.85 3.04 3.20 -1.00 -2.61 116.97 120.29 1cza h TYR 741 Ca 0.26 -0.04 0.08 0.00 3.14 0.00 0.00 58.73 62.17 1cza h TYR 741 Cb -0.07 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 37.97 1cza h TYR 741 CO -0.02 0.50 0.55 1.49 -1.64 0.00 0.00 178.16 179.05 1cza h GLU 742 N 0.50 0.85 0.00 1.82 4.81 -1.31 -0.98 114.58 120.28 1cza h GLU 742 Ca 0.13 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1cza h GLU 742 Cb 0.15 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1cza h GLU 742 CO -0.01 0.57 0.00 1.63 -0.73 0.00 0.00 179.01 180.46 1cza n LYS 743 N -4.50 0.07 0.00 1.92 5.02 -0.66 -0.67 118.16 119.34 1cza n LYS 743 Ca 0.13 0.27 0.12 0.00 -2.02 0.00 0.00 58.31 56.82 1cza n LYS 743 Cb 0.26 -1.62 0.20 0.00 -0.02 0.00 0.00 35.03 33.84 1cza n LYS 743 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1cza n MET 744 N -1.75 1.69 0.00 1.97 2.81 -0.38 -4.60 117.12 116.86 1cza n MET 744 Ca 0.04 -1.29 0.00 0.00 -1.81 0.00 0.00 57.70 54.64 1cza n MET 744 Cb 0.22 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 1cza n MET 744 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1cza n ILE 745 N 0.47 0.00 -2.92 2.02 5.41 -0.63 -4.18 119.36 119.53 1cza n ILE 745 Ca 0.13 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.67 1cza n ILE 745 Cb 0.48 -0.93 0.02 0.00 -0.71 0.00 0.00 39.64 38.50 1cza n ILE 745 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1cza s SER 746 N -4.45 5.68 0.56 4.38 1.04 0.15 -4.80 113.70 116.26 1cza s SER 746 Ca 0.00 0.15 0.24 0.00 0.48 0.00 0.00 55.95 56.82 1cza s SER 746 Cb 0.00 -1.30 1.52 0.00 0.10 0.00 0.00 66.02 66.34 1cza s SER 746 CO 0.00 -0.81 2.14 1.23 0.98 0.00 0.00 173.24 176.78 1cza h GLY 747 N 0.35 0.00 2.00 7.32 0.00 -0.84 -0.84 103.07 111.06 1cza h GLY 747 Ca -0.45 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 1cza h GLY 747 CO 0.55 0.00 -0.26 1.98 0.00 0.00 0.00 176.54 178.81 1cza h MET 748 N 0.00 0.00 0.00 4.80 1.85 -1.59 -3.39 114.93 116.59 1cza h MET 748 Ca 0.06 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.10 1cza h MET 748 Cb 0.29 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.31 1cza h MET 748 CO -0.00 0.26 -1.26 0.66 -0.40 0.00 0.00 176.91 176.18 1cza n TYR 749 N -3.37 0.00 -0.27 1.39 4.02 -0.43 -4.75 117.16 113.75 1cza n TYR 749 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.91 1cza n TYR 749 Cb 0.48 -0.17 0.14 0.00 -0.02 0.00 0.00 39.34 39.77 1cza n TYR 749 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1cza h LEU 750 N 0.00 0.60 -1.34 7.72 3.38 -1.46 -2.04 115.31 122.17 1cza h LEU 750 Ca -0.07 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1cza h LEU 750 Cb 0.90 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 1cza h LEU 750 CO 0.00 0.35 0.50 1.23 0.09 0.00 0.00 178.44 180.62 1cza h GLY 751 N 0.72 1.03 1.77 0.83 0.00 -1.82 -1.74 103.07 103.87 1cza h GLY 751 Ca 0.36 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 47.25 1cza h GLY 751 CO -0.24 0.22 -0.48 0.83 0.00 0.00 0.00 176.54 176.88 1cza h GLU 752 N 0.79 0.24 -0.00 4.80 4.39 -1.64 0.16 114.58 123.32 1cza h GLU 752 Ca 0.34 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 1cza h GLU 752 Cb 0.30 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1cza h GLU 752 CO -0.12 0.68 0.00 0.82 -1.16 0.00 0.00 179.01 179.23 1cza h ILE 753 N 0.20 1.19 -0.10 3.13 2.04 -1.10 -1.54 117.51 121.33 1cza h ILE 753 Ca 0.01 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.35 1cza h ILE 753 Cb 0.92 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 1cza h ILE 753 CO 0.07 0.14 -0.07 0.58 0.00 0.00 0.00 178.15 178.88 1cza h VAL 754 N -0.23 0.80 -0.84 1.67 2.07 -1.14 -1.32 116.25 117.26 1cza h VAL 754 Ca 0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1cza h VAL 754 Cb 0.23 0.80 -0.09 0.00 -1.52 0.00 0.00 31.29 30.72 1cza h VAL 754 CO 0.00 0.00 0.45 -0.09 0.02 0.00 0.00 177.57 177.95 1cza h ARG 755 N -0.07 0.67 -0.46 1.57 2.43 -0.61 -0.11 114.38 117.80 1cza h ARG 755 Ca 0.06 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 1cza h ARG 755 Cb 0.16 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1cza h ARG 755 CO -0.14 0.44 -0.24 -0.91 -1.51 0.00 0.00 179.97 177.61 1cza h ASN 756 N 0.69 1.00 -0.47 -3.80 2.35 -0.81 -0.19 115.58 114.35 1cza h ASN 756 Ca 0.44 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1cza h ASN 756 Cb 0.54 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1cza h ASN 756 CO -0.32 1.19 0.23 0.40 -1.65 0.00 0.00 177.43 177.29 1cza h ILE 757 N 0.82 1.18 -0.62 2.81 2.04 -0.63 -2.56 117.51 120.55 1cza h ILE 757 Ca 0.10 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 1cza h ILE 757 Cb 0.82 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1cza h ILE 757 CO 0.07 0.20 0.18 -0.07 0.00 0.00 0.00 178.15 178.53 1cza h LEU 758 N 0.62 0.92 -0.24 1.44 3.38 -0.67 -1.41 115.31 119.35 1cza h LEU 758 Ca 0.16 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1cza h LEU 758 Cb 0.11 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1cza h LEU 758 CO -0.02 0.90 -0.01 0.40 0.09 0.00 0.00 178.44 179.80 1cza h ILE 759 N 0.90 0.82 -0.56 1.22 2.04 -0.96 0.22 117.51 121.18 1cza h ILE 759 Ca 0.20 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 66.05 1cza h ILE 759 Cb 0.32 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1cza h ILE 759 CO -0.00 0.01 0.35 0.44 0.00 0.00 0.00 178.15 178.95 1cza h ASP 760 N 0.07 0.59 -0.35 1.72 5.19 -1.11 -0.90 116.42 121.62 1cza h ASP 760 Ca 0.12 -0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.45 1cza h ASP 760 Cb 0.15 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.51 1cza h ASP 760 CO -0.20 0.42 -0.03 -0.26 -3.12 0.00 0.00 179.24 176.04 1cza h PHE 761 N 0.70 0.79 -0.53 4.55 0.05 -0.85 -1.70 116.94 119.95 1cza h PHE 761 Ca 0.22 -0.11 -0.10 0.00 3.82 0.00 0.00 57.97 61.79 1cza h PHE 761 Cb -0.02 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 37.70 1cza h PHE 761 CO -0.05 0.75 -0.08 1.15 -0.18 0.00 0.00 178.31 179.90 1cza h THR 762 N 0.69 1.26 -0.09 -1.55 2.02 0.14 -0.13 112.91 115.25 1cza h THR 762 Ca 0.13 -1.21 -0.08 0.00 0.77 0.00 0.00 66.41 66.03 1cza h THR 762 Cb 0.47 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1cza h THR 762 CO 0.02 0.43 -0.29 0.11 0.37 0.00 0.00 175.52 176.16 1cza h LYS 763 N 0.87 0.17 -0.00 6.66 1.57 -0.89 -1.40 116.57 123.55 1cza h LYS 763 Ca 0.14 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1cza h LYS 763 Cb 0.62 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1cza h LYS 763 CO 0.04 0.45 -0.01 1.63 -0.57 0.00 0.00 179.45 180.99 1cza n LYS 764 N -4.15 0.94 -0.99 3.15 5.02 -0.67 -4.92 118.16 116.55 1cza n LYS 764 Ca -0.01 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1cza n LYS 764 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1cza n LYS 764 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cza n GLY 765 N 1.09 0.44 0.05 0.72 0.00 -0.53 -4.95 105.19 102.01 1cza n GLY 765 Ca 0.21 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.73 1cza n GLY 765 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1cza n PHE 766 N -2.99 0.42 -3.88 1.61 3.72 -0.09 -4.66 117.46 111.59 1cza n PHE 766 Ca 0.00 0.12 -0.10 0.00 -0.05 0.00 0.00 57.45 57.42 1cza n PHE 766 Cb 0.00 -0.59 -0.09 0.00 -0.94 0.00 0.00 39.48 37.86 1cza n PHE 766 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1cza s LEU 767 N -3.86 1.56 -0.84 4.37 1.43 -1.23 -4.95 118.68 115.17 1cza s LEU 767 Ca 0.09 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1cza s LEU 767 Cb 0.15 0.76 0.00 0.00 0.03 0.00 0.00 46.19 47.13 1cza s LEU 767 CO 0.68 -0.48 0.00 0.49 0.23 0.00 0.00 176.35 177.27 1cza n PHE 768 N 0.96 -1.43 -1.24 0.29 3.72 -1.26 -2.17 117.46 116.32 1cza n PHE 768 Ca -0.20 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.11 1cza n PHE 768 Cb 0.58 -2.33 -0.04 0.00 -0.94 0.00 0.00 39.48 36.75 1cza n PHE 768 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1cza n ARG 769 N -2.61 -1.06 -0.89 -1.08 1.74 -1.26 -2.37 116.66 109.14 1cza n ARG 769 Ca -0.11 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 1cza n ARG 769 Cb 0.55 -4.75 0.00 0.00 -1.02 0.00 0.00 32.46 27.24 1cza n ARG 769 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cza n GLY 770 N -1.01 0.66 3.42 -0.13 0.00 -0.92 -5.02 105.19 102.19 1cza n GLY 770 Ca -0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 1cza n GLY 770 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cza s GLN 771 N -0.11 3.12 -1.02 1.61 -1.52 -1.00 -4.69 119.66 116.05 1cza s GLN 771 Ca 0.00 -1.09 -0.23 0.00 -1.95 0.00 0.00 55.36 52.09 1cza s GLN 771 Cb 0.00 -4.29 0.04 0.00 -0.22 0.00 0.00 33.01 28.54 1cza s GLN 771 CO 0.00 -1.71 1.51 0.42 -0.25 0.00 0.00 175.29 175.26 1cza s ILE 772 N 3.45 3.89 1.06 1.08 -1.09 -1.26 -4.94 121.20 123.38 1cza s ILE 772 Ca 0.19 -0.78 -0.12 0.00 -2.23 0.00 0.00 60.65 57.70 1cza s ILE 772 Cb -0.19 -4.98 0.22 0.00 -1.58 0.00 0.00 42.46 35.94 1cza s ILE 772 CO 0.07 -1.86 1.07 -0.94 -1.23 0.00 0.00 174.94 172.06 1cza s SER 773 N 5.21 2.03 0.39 3.58 1.04 -1.26 -4.87 113.70 119.82 1cza s SER 773 Ca 0.49 1.33 0.21 0.00 0.48 0.00 0.00 55.95 58.46 1cza s SER 773 Cb -0.00 -2.04 0.68 0.00 0.10 0.00 0.00 66.02 64.76 1cza s SER 773 CO -0.08 -3.52 1.73 -0.33 0.98 0.00 0.00 173.24 172.01 1cza h GLU 774 N -2.16 0.00 -0.50 4.02 4.39 -1.93 -2.59 114.58 115.81 1cza h GLU 774 Ca -0.57 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.05 1cza h GLU 774 Cb 1.33 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.96 1cza h GLU 774 CO 0.55 0.31 0.00 1.15 -1.16 0.00 0.00 179.01 179.86 1cza h THR 775 N 0.00 1.26 0.00 1.13 2.02 -1.91 -2.75 112.91 112.65 1cza h THR 775 Ca -0.00 -1.08 -0.05 0.00 0.77 0.00 0.00 66.41 66.06 1cza h THR 775 Cb 0.91 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1cza h THR 775 CO 0.04 0.38 -0.22 0.25 0.37 0.00 0.00 175.52 176.34 1cza h LEU 776 N 0.74 0.00 -0.74 2.58 5.85 -1.79 -2.05 115.31 119.91 1cza h LEU 776 Ca 0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1cza h LEU 776 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1cza h LEU 776 CO 0.03 0.22 0.00 0.29 -0.34 0.00 0.00 178.44 178.63 1cza n LYS 777 N -3.80 1.48 -3.26 1.25 5.02 -1.02 -4.82 118.16 113.01 1cza n LYS 777 Ca -0.02 -0.73 -0.40 0.00 -2.02 0.00 0.00 58.31 55.15 1cza n LYS 777 Cb 0.32 -1.33 -0.08 0.00 -0.02 0.00 0.00 35.03 33.91 1cza n LYS 777 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1cza s THR 778 N -1.84 5.08 0.50 -0.18 2.01 -0.77 -5.05 115.64 115.39 1cza s THR 778 Ca 0.29 0.75 -0.22 0.00 0.31 0.00 0.00 61.69 62.82 1cza s THR 778 Cb 0.15 -3.82 -0.06 0.00 0.01 0.00 0.00 72.50 68.77 1cza s THR 778 CO 0.23 0.06 1.19 0.00 -0.69 0.00 0.00 174.62 175.40 1cza s ARG 779 N 2.28 3.50 0.00 4.92 1.70 -1.26 -3.47 118.95 126.62 1cza s ARG 779 Ca 0.20 1.81 0.00 0.00 -0.47 0.00 0.00 55.73 57.27 1cza s ARG 779 Cb -0.16 -2.25 0.00 0.00 -0.57 0.00 0.00 34.95 31.97 1cza s ARG 779 CO 0.10 -0.78 0.00 0.41 -1.08 0.00 0.00 175.30 173.95 1cza n GLY 780 N 0.44 0.84 0.27 3.88 0.00 -1.26 -4.98 105.19 104.38 1cza n GLY 780 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.13 1cza n GLY 780 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1cza h ILE 781 N 0.00 1.16 -1.61 -0.61 1.08 -1.92 -3.18 117.51 112.43 1cza h ILE 781 Ca 0.00 -0.60 -0.77 0.00 -0.39 0.00 0.00 64.86 63.10 1cza h ILE 781 Cb 0.00 0.93 -0.18 0.00 -3.07 0.00 0.00 36.82 34.51 1cza h ILE 781 CO 0.00 0.21 1.89 0.49 -0.69 0.00 0.00 178.15 180.04 1cza n PHE 782 N -4.34 2.66 -0.71 1.37 3.72 -1.26 -4.90 117.46 114.00 1cza n PHE 782 Ca 0.01 -2.74 -0.31 0.00 -0.05 0.00 0.00 57.45 54.36 1cza n PHE 782 Cb 0.20 -1.68 0.17 0.00 -0.94 0.00 0.00 39.48 37.22 1cza n PHE 782 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1cza s GLU 783 N -1.50 1.03 0.26 -1.08 2.02 -1.20 -3.50 118.70 114.71 1cza s GLU 783 Ca 0.45 1.54 -0.04 0.00 0.02 0.00 0.00 54.97 56.94 1cza s GLU 783 Cb 0.15 -1.73 0.52 0.00 0.10 0.00 0.00 34.13 33.16 1cza s GLU 783 CO -0.05 -2.62 1.65 1.15 0.02 0.00 0.00 175.26 175.41 1cza h THR 784 N -1.87 0.39 -0.29 3.63 2.02 -1.94 0.98 112.91 115.84 1cza h THR 784 Ca -0.43 -0.06 0.07 0.00 0.77 0.00 0.00 66.41 66.75 1cza h THR 784 Cb 1.27 0.19 -0.08 0.00 -1.74 0.00 0.00 68.15 67.79 1cza h THR 784 CO 0.42 0.03 -0.27 0.50 0.37 0.00 0.00 175.52 176.57 1cza h LYS 785 N 0.18 -0.25 -0.34 6.66 3.64 -1.96 -2.49 116.57 122.02 1cza h LYS 785 Ca 0.45 0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.69 1cza h LYS 785 Cb 0.82 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1cza h LYS 785 CO -0.61 -0.17 -0.41 0.74 -2.27 0.00 0.00 179.45 176.74 1cza h PHE 786 N -0.26 1.01 -0.80 1.91 0.04 -1.15 -1.82 116.94 115.87 1cza h PHE 786 Ca 0.15 -0.31 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1cza h PHE 786 Cb 0.49 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.39 1cza h PHE 786 CO -0.44 1.11 0.51 1.25 -0.60 0.00 0.00 178.31 180.13 1cza h LEU 787 N 0.69 0.93 -0.65 1.54 7.12 -1.35 -1.04 115.31 122.55 1cza h LEU 787 Ca 0.05 -0.04 -0.12 0.00 0.13 0.00 0.00 57.88 57.91 1cza h LEU 787 Cb 0.98 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.86 1cza h LEU 787 CO 0.09 0.69 -0.20 0.28 -0.13 0.00 0.00 178.44 179.17 1cza h SER 788 N 1.08 0.86 -0.20 1.25 0.02 -1.34 -2.80 113.55 112.42 1cza h SER 788 Ca 0.29 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1cza h SER 788 Cb -0.10 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 1cza h SER 788 CO -0.06 1.04 -0.01 1.56 -1.14 0.00 0.00 176.83 178.22 1cza h GLN 789 N 0.74 0.35 -0.72 3.45 4.20 -0.89 -2.87 115.11 119.36 1cza h GLN 789 Ca 0.10 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.73 1cza h GLN 789 Cb 0.73 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.44 1cza h GLN 789 CO 0.06 0.56 0.48 0.82 -0.67 0.00 0.00 178.83 180.07 1cza h ILE 790 N 0.10 1.13 -0.01 2.54 2.04 -1.16 -1.83 117.51 120.32 1cza h ILE 790 Ca 0.05 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1cza h ILE 790 Cb 0.40 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1cza h ILE 790 CO 0.01 0.16 -0.05 -0.62 0.00 0.00 0.00 178.15 177.66 1cza n GLU 791 N -4.45 1.22 -1.72 2.37 1.02 -1.06 -4.89 120.64 113.12 1cza n GLU 791 Ca 0.09 -0.54 -0.42 0.00 -0.02 0.00 0.00 57.16 56.27 1cza n GLU 791 Cb 0.10 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 1cza n GLU 791 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1cza s SER 792 N -2.15 6.47 0.29 1.62 0.15 -0.69 -4.88 113.70 114.51 1cza s SER 792 Ca 0.37 2.64 0.03 0.00 0.70 0.00 0.00 55.95 59.68 1cza s SER 792 Cb 0.21 -2.54 0.71 0.00 -1.71 0.00 0.00 66.02 62.70 1cza s SER 792 CO 0.39 -1.03 1.66 0.44 1.20 0.00 0.00 173.24 175.91 1cza h ASP 793 N 10.14 0.12 -2.18 5.45 3.32 -1.90 -2.87 116.42 128.51 1cza h ASP 793 Ca -0.48 0.18 -0.80 0.00 0.02 0.00 0.00 57.03 55.95 1cza h ASP 793 Cb 1.23 0.22 -0.25 0.00 0.22 0.00 0.00 39.33 40.74 1cza h ASP 793 CO 0.94 -0.10 1.19 0.54 -1.72 0.00 0.00 179.24 180.10 1cza n ARG 794 N -5.16 5.22 -3.36 3.56 1.74 -1.26 -4.78 116.66 112.63 1cza n ARG 794 Ca 0.21 -4.49 -0.07 0.00 -0.77 0.00 0.00 57.85 52.73 1cza n ARG 794 Cb 0.67 -2.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.54 1cza n ARG 794 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1cza s LEU 795 N -3.84 -0.78 0.45 0.55 1.43 -1.08 -5.15 118.68 110.25 1cza s LEU 795 Ca 0.40 0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 53.90 1cza s LEU 795 Cb 0.17 1.36 -0.04 0.00 0.03 0.00 0.00 46.19 47.71 1cza s LEU 795 CO -0.10 -0.28 0.75 0.00 0.23 0.00 0.00 176.35 176.95 1cza s ALA 796 N 2.62 3.43 0.00 4.21 0.00 -1.26 -4.89 121.76 125.86 1cza s ALA 796 Ca 0.12 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1cza s ALA 796 Cb -0.15 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1cza s ALA 796 CO -0.16 -0.24 0.00 1.47 0.00 0.00 0.00 175.76 176.83 1cza n LEU 797 N -1.99 0.00 -0.32 0.00 -0.00 -1.26 -0.60 117.00 112.82 1cza n LEU 797 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 56.01 56.23 1cza n LEU 797 Cb 0.55 0.00 0.43 0.00 -0.00 0.00 0.00 43.42 44.40 1cza n LEU 797 CO 0.52 0.00 1.06 0.25 -0.00 0.00 0.00 177.39 179.22 1cza h LEU 798 N 0.00 0.34 -0.40 1.47 5.85 -1.99 0.13 115.31 120.71 1cza h LEU 798 Ca 0.00 0.20 -0.18 0.00 0.84 0.00 0.00 57.88 58.74 1cza h LEU 798 Cb 0.00 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1cza h LEU 798 CO 0.00 -0.17 -0.79 1.56 -0.34 0.00 0.00 178.44 178.71 1cza h GLN 799 N 0.27 0.20 -0.20 1.25 1.08 -1.23 -0.43 115.11 116.05 1cza h GLN 799 Ca 0.69 -0.19 -0.05 0.00 -1.45 0.00 0.00 58.65 57.65 1cza h GLN 799 Cb 1.56 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 29.03 1cza h GLN 799 CO -0.64 0.89 -0.08 0.28 -0.95 0.00 0.00 178.83 178.33 1cza h VAL 800 N 0.13 1.30 -0.53 -0.54 2.07 -0.84 -1.03 116.25 116.80 1cza h VAL 800 Ca -0.03 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1cza h VAL 800 Cb 1.37 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 1cza h VAL 800 CO 0.12 0.34 0.30 -0.09 0.02 0.00 0.00 177.57 178.25 1cza h ARG 801 N 0.11 0.74 -0.51 1.57 2.43 -1.31 0.32 114.38 117.74 1cza h ARG 801 Ca 0.05 -0.09 0.10 0.00 -0.81 0.00 0.00 59.98 59.23 1cza h ARG 801 Cb 0.55 -0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 29.86 1cza h ARG 801 CO 0.03 0.57 -0.09 0.00 -1.51 0.00 0.00 179.97 178.97 1cza h ALA 802 N 1.13 0.38 0.20 2.80 0.00 -0.91 0.46 119.26 123.33 1cza h ALA 802 Ca 0.19 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1cza h ALA 802 Cb 0.04 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1cza h ALA 802 CO -0.03 -0.43 -0.10 0.82 0.00 0.00 0.00 179.25 179.52 1cza h ILE 803 N 0.03 0.87 -0.71 0.00 2.04 -0.34 -0.16 117.51 119.25 1cza h ILE 803 Ca 0.25 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.79 1cza h ILE 803 Cb 0.39 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1cza h ILE 803 CO -0.50 0.08 0.46 -0.07 0.00 0.00 0.00 178.15 178.12 1cza h LEU 804 N -0.43 0.78 -0.41 1.44 3.38 -0.28 -0.43 115.31 119.36 1cza h LEU 804 Ca -0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1cza h LEU 804 Cb 0.33 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1cza h LEU 804 CO 0.04 0.55 0.09 -0.61 0.09 0.00 0.00 178.44 178.60 1cza h GLN 805 N 0.92 0.66 0.00 1.13 4.15 -0.07 -0.34 115.11 121.57 1cza h GLN 805 Ca 0.27 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 1cza h GLN 805 Cb -0.05 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.55 1cza h GLN 805 CO -0.08 0.69 -0.14 1.96 -1.93 0.00 0.00 178.83 179.34 1cza h GLN 806 N 0.52 0.00 -0.24 1.69 4.20 -0.38 -1.83 115.11 119.07 1cza h GLN 806 Ca 0.13 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.66 1cza h GLN 806 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1cza h GLN 806 CO 0.00 0.14 -0.54 -0.07 -0.67 0.00 0.00 178.83 177.69 1cza h LEU 807 N 0.00 0.90 0.00 1.46 3.38 -0.90 -3.47 115.31 116.68 1cza h LEU 807 Ca -0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1cza h LEU 807 Cb 0.27 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1cza h LEU 807 CO 0.02 1.29 0.00 0.61 0.09 0.00 0.00 178.44 180.44 1cza n GLY 808 N 0.44 0.02 3.52 0.83 0.00 -0.69 -5.01 105.19 104.30 1cza n GLY 808 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1cza n GLY 808 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cza s LEU 809 N 0.00 2.93 -1.39 0.99 1.43 -0.16 -4.71 118.68 117.77 1cza s LEU 809 Ca 0.00 -0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 52.83 1cza s LEU 809 Cb 0.00 -1.61 0.06 0.00 0.03 0.00 0.00 46.19 44.66 1cza s LEU 809 CO 0.00 0.35 2.02 -0.46 0.23 0.00 0.00 176.35 178.49 1cza n ASN 810 N 2.28 4.33 -4.88 2.29 6.94 -1.26 -3.22 115.26 121.74 1cza n ASN 810 Ca -0.18 -2.88 -0.36 0.00 -0.02 0.00 0.00 54.58 51.14 1cza n ASN 810 Cb 0.53 -1.69 -0.06 0.00 -2.36 0.00 0.00 39.78 36.20 1cza n ASN 810 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1cza s SER 811 N 3.50 6.50 0.35 0.53 0.01 -1.26 -4.69 113.70 118.63 1cza s SER 811 Ca 0.49 0.58 0.05 0.00 1.31 0.00 0.00 55.95 58.37 1cza s SER 811 Cb 0.10 -2.10 0.05 0.00 0.21 0.00 0.00 66.02 64.27 1cza s SER 811 CO -0.02 0.32 0.38 0.35 0.41 0.00 0.00 173.24 174.69 1cza n THR 812 N 1.54 0.00 -0.08 1.44 -2.24 -1.26 -4.92 114.28 108.76 1cza n THR 812 Ca -0.15 -1.26 -0.13 0.00 -2.27 0.00 0.00 64.05 60.24 1cza n THR 812 Cb 0.54 -0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 68.23 1cza n THR 812 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cza h ASP 814 N 0.28 0.70 -0.05 0.00 3.32 -2.00 -1.85 116.42 116.83 1cza h ASP 814 Ca 0.04 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.91 1cza h ASP 814 Cb 0.78 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1cza h ASP 814 CO 0.06 0.82 -0.01 0.44 -1.72 0.00 0.00 179.24 178.83 1cza h ASP 815 N 0.67 -0.03 -0.93 6.45 3.32 -1.88 -2.24 116.42 121.78 1cza h ASP 815 Ca 0.12 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.21 1cza h ASP 815 Cb 0.51 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.04 1cza h ASP 815 CO 0.03 -0.01 0.61 0.28 -1.72 0.00 0.00 179.24 178.43 1cza h SER 816 N 0.01 1.04 -0.51 6.45 0.02 -0.37 -0.03 113.55 120.16 1cza h SER 816 Ca 0.02 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1cza h SER 816 Cb 0.03 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1cza h SER 816 CO -0.05 0.73 0.15 0.40 -1.14 0.00 0.00 176.83 176.92 1cza h ILE 817 N 1.21 1.23 -0.45 3.27 2.04 -1.17 0.17 117.51 123.81 1cza h ILE 817 Ca 0.35 -0.79 -0.13 0.00 1.00 0.00 0.00 64.86 65.30 1cza h ILE 817 Cb -0.07 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1cza h ILE 817 CO -0.09 0.29 -0.21 0.25 0.00 0.00 0.00 178.15 178.38 1cza h LEU 818 N 0.69 0.93 -0.11 1.44 5.85 -0.97 -1.06 115.31 122.09 1cza h LEU 818 Ca 0.16 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1cza h LEU 818 Cb 0.29 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 1cza h LEU 818 CO -0.00 1.11 0.06 0.58 -0.34 0.00 0.00 178.44 179.84 1cza h VAL 819 N 0.79 1.09 -0.80 1.05 2.07 -0.61 -1.28 116.25 118.56 1cza h VAL 819 Ca 0.11 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1cza h VAL 819 Cb 0.77 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1cza h VAL 819 CO 0.06 0.08 0.53 0.50 0.02 0.00 0.00 177.57 178.76 1cza h LYS 820 N 0.07 1.04 -0.36 1.57 3.64 -0.61 -2.16 116.57 119.76 1cza h LYS 820 Ca 0.04 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1cza h LYS 820 Cb 0.08 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 1cza h LYS 820 CO -0.01 0.69 0.20 1.15 -2.27 0.00 0.00 179.45 179.21 1cza h THR 821 N 1.07 1.01 -0.37 1.00 2.02 -0.79 -1.90 112.91 114.95 1cza h THR 821 Ca 0.30 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.35 1cza h THR 821 Cb -0.10 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1cza h THR 821 CO -0.07 0.07 0.24 0.58 0.37 0.00 0.00 175.52 176.71 1cza h VAL 822 N 0.40 1.08 -0.52 3.16 2.07 -0.88 -1.11 116.25 120.45 1cza h VAL 822 Ca 0.15 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.56 1cza h VAL 822 Cb 0.03 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 1cza h VAL 822 CO -0.08 0.09 0.24 0.00 0.02 0.00 0.00 177.57 177.83 1cza h GLY 824 N 0.45 1.14 0.99 0.00 0.00 -0.86 0.41 103.07 105.21 1cza h GLY 824 Ca 0.24 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 1cza h GLY 824 CO -0.20 0.57 0.10 -2.08 0.00 0.00 0.00 176.54 174.92 1cza h VAL 825 N 1.04 1.25 -0.17 4.60 2.07 -0.96 0.10 116.25 124.19 1cza h VAL 825 Ca 0.24 -0.92 -0.09 0.00 0.82 0.00 0.00 66.70 66.76 1cza h VAL 825 Cb 0.19 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1cza h VAL 825 CO -0.02 0.33 -0.25 0.58 0.02 0.00 0.00 177.57 178.23 1cza h VAL 826 N 0.74 1.35 -0.17 2.57 2.07 -0.95 -1.81 116.25 120.04 1cza h VAL 826 Ca 0.16 -1.47 -0.16 0.00 0.82 0.00 0.00 66.70 66.06 1cza h VAL 826 Cb 0.38 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1cza h VAL 826 CO 0.01 0.44 -0.56 0.77 0.02 0.00 0.00 177.57 178.25 1cza h SER 827 N 0.11 0.58 -0.73 0.57 4.64 -0.87 -1.11 113.55 116.75 1cza h SER 827 Ca 0.02 -0.31 -0.05 0.00 -0.47 0.00 0.00 61.79 60.97 1cza h SER 827 Cb 0.82 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 1cza h SER 827 CO 0.06 1.02 0.25 -0.09 -0.87 0.00 0.00 176.83 177.20 1cza h ARG 828 N 0.40 1.13 -0.16 4.77 2.43 -0.81 -0.65 114.38 121.49 1cza h ARG 828 Ca 0.01 -0.23 -0.12 0.00 -0.81 0.00 0.00 59.98 58.83 1cza h ARG 828 Cb 1.09 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1cza h ARG 828 CO 0.10 0.95 -0.41 -0.09 -1.51 0.00 0.00 179.97 179.01 1cza h ARG 829 N 1.09 0.36 -0.52 0.20 2.43 -1.19 -0.94 114.38 115.81 1cza h ARG 829 Ca 0.24 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1cza h ARG 829 Cb 0.27 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1cza h ARG 829 CO -0.01 0.72 -0.03 0.00 -1.51 0.00 0.00 179.97 179.14 1cza h ALA 830 N 1.26 0.70 -0.25 2.80 0.00 -0.69 0.12 119.26 123.20 1cza h ALA 830 Ca 0.03 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1cza h ALA 830 Cb 0.86 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1cza h ALA 830 CO 0.07 0.54 -0.24 0.00 0.00 0.00 0.00 179.25 179.62 1cza h ALA 831 N 0.93 1.11 -0.31 0.00 0.00 -0.97 -0.98 119.26 119.04 1cza h ALA 831 Ca 0.14 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1cza h ALA 831 Cb 0.56 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1cza h ALA 831 CO 0.03 0.55 -0.42 1.96 0.00 0.00 0.00 179.25 181.38 1cza h GLN 832 N 0.42 0.77 -0.35 0.00 4.20 -0.75 -1.08 115.11 118.33 1cza h GLN 832 Ca 0.06 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.31 1cza h GLN 832 Cb 0.66 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1cza h GLN 832 CO 0.05 1.04 0.04 -0.07 -0.67 0.00 0.00 178.83 179.21 1cza h LEU 833 N 0.63 0.57 -0.82 1.46 3.38 -0.62 -0.00 115.31 119.91 1cza h LEU 833 Ca 0.05 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.77 1cza h LEU 833 Cb 0.98 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 1cza h LEU 833 CO 0.09 0.71 0.53 0.00 0.09 0.00 0.00 178.44 179.86 1cza h GLY 835 N 1.04 1.32 1.17 0.00 0.00 -0.76 0.55 103.07 106.40 1cza h GLY 835 Ca 0.32 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 1cza h GLY 835 CO -0.10 0.38 0.13 0.00 0.00 0.00 0.00 176.54 176.94 1cza h ALA 836 N 1.38 1.02 -0.33 3.60 0.00 -0.50 0.33 119.26 124.76 1cza h ALA 836 Ca 0.36 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1cza h ALA 836 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1cza h ALA 836 CO -0.12 0.63 -0.33 0.78 0.00 0.00 0.00 179.25 180.21 1cza h GLY 837 N 1.04 0.88 1.65 0.00 0.00 -0.92 -2.71 103.07 103.00 1cza h GLY 837 Ca 0.20 -0.90 -0.08 0.00 0.00 0.00 0.00 47.33 46.56 1cza h GLY 837 CO 0.01 0.81 -0.18 1.98 0.00 0.00 0.00 176.54 179.15 1cza h MET 838 N 0.58 0.42 -0.46 4.80 -1.53 -0.52 -2.23 114.93 115.99 1cza h MET 838 Ca 0.05 -0.13 -0.01 0.00 -3.44 0.00 0.00 59.70 56.17 1cza h MET 838 Cb 0.91 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.89 1cza h MET 838 CO 0.08 0.59 0.24 0.00 0.14 0.00 0.00 176.91 177.96 1cza h ALA 839 N 1.43 1.56 0.00 0.39 0.00 -0.27 -1.72 119.26 120.65 1cza h ALA 839 Ca 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1cza h ALA 839 Cb 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1cza h ALA 839 CO 0.04 0.37 -0.00 0.00 0.00 0.00 0.00 179.25 179.65 1cza h ALA 840 N 1.63 -0.00 -0.01 0.00 0.00 -1.08 -2.13 119.26 117.67 1cza h ALA 840 Ca 0.16 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1cza h ALA 840 Cb 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1cza h ALA 840 CO -0.03 -0.40 -0.02 0.28 0.00 0.00 0.00 179.25 179.09 1cza h VAL 841 N -0.21 0.94 -0.33 0.00 2.07 -1.16 -1.39 116.25 116.18 1cza h VAL 841 Ca -0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1cza h VAL 841 Cb 0.21 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1cza h VAL 841 CO 0.00 0.00 -0.34 -0.37 0.02 0.00 0.00 177.57 176.88 1cza h VAL 842 N -0.03 1.28 -0.18 2.57 -1.51 -1.30 -2.10 116.25 114.98 1cza h VAL 842 Ca 0.01 -1.49 -0.08 0.00 -1.23 0.00 0.00 66.70 63.91 1cza h VAL 842 Cb 0.05 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 1cza h VAL 842 CO -0.03 0.49 -0.26 0.44 -1.23 0.00 0.00 177.57 176.98 1cza h ASP 843 N 0.62 0.32 -0.17 4.19 3.32 -1.39 -0.19 116.42 123.13 1cza h ASP 843 Ca 0.06 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1cza h ASP 843 Cb 0.87 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 1cza h ASP 843 CO 0.08 0.59 0.09 0.50 -1.72 0.00 0.00 179.24 178.77 1cza h LYS 844 N 0.29 0.24 -0.64 3.56 3.64 -0.74 0.16 116.57 123.08 1cza h LYS 844 Ca 0.04 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1cza h LYS 844 Cb 0.62 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 1cza h LYS 844 CO 0.04 0.27 0.40 0.82 -2.27 0.00 0.00 179.45 178.71 1cza h ILE 845 N 0.16 1.09 0.40 2.00 2.04 -1.07 0.28 117.51 122.40 1cza h ILE 845 Ca 0.06 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1cza h ILE 845 Cb 0.10 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1cza h ILE 845 CO -0.01 0.14 -0.19 -0.09 0.00 0.00 0.00 178.15 178.00 1cza h ARG 846 N 0.79 -0.52 -0.71 2.37 2.43 -0.64 -2.00 114.38 116.10 1cza h ARG 846 Ca 0.26 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.48 1cza h ARG 846 Cb 0.01 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1cza h ARG 846 CO -0.10 -0.24 0.46 0.93 -1.51 0.00 0.00 179.97 179.51 1cza h GLU 847 N -0.74 0.91 -0.55 0.20 5.08 -0.68 -1.62 114.58 117.18 1cza h GLU 847 Ca -0.05 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1cza h GLU 847 Cb 0.51 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1cza h GLU 847 CO 0.09 0.60 0.29 -0.91 -1.00 0.00 0.00 179.01 178.08 1cza h ASN 848 N 0.93 0.67 -0.35 1.42 -0.26 -0.31 -2.35 115.58 115.32 1cza h ASN 848 Ca 0.27 -0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 1cza h ASN 848 Cb -0.06 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.03 1cza h ASN 848 CO -0.08 0.55 0.00 0.54 -1.06 0.00 0.00 177.43 177.38 1cza n ARG 849 N -4.39 1.96 -3.48 0.81 1.74 -0.66 -4.93 116.66 107.71 1cza n ARG 849 Ca 0.05 -1.33 -0.21 0.00 -0.77 0.00 0.00 57.85 55.59 1cza n ARG 849 Cb 0.10 -1.35 0.07 0.00 -1.02 0.00 0.00 32.46 30.27 1cza n ARG 849 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cza n GLY 850 N 0.99 -0.40 3.67 -0.13 0.00 -0.88 -5.00 105.19 103.43 1cza n GLY 850 Ca 0.12 0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 1cza n GLY 850 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cza s LEU 851 N -6.68 3.48 0.23 0.99 1.43 -0.91 -5.01 118.68 112.21 1cza s LEU 851 Ca 0.50 0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.73 1cza s LEU 851 Cb -0.22 -1.90 0.20 0.00 0.03 0.00 0.00 46.19 44.31 1cza s LEU 851 CO 0.66 0.33 1.52 0.44 0.23 0.00 0.00 176.35 179.53 1cza h ASP 852 N 4.76 0.06 -4.72 2.29 3.45 -1.93 -3.42 116.42 116.90 1cza h ASP 852 Ca -0.50 -0.04 -0.15 0.00 0.43 0.00 0.00 57.03 56.77 1cza h ASP 852 Cb 1.18 -0.02 -0.22 0.00 -0.56 0.00 0.00 39.33 39.72 1cza h ASP 852 CO 0.55 0.75 -0.49 -0.13 -1.57 0.00 0.00 179.24 178.36 1cza s ARG 853 N -3.42 0.43 -0.06 3.56 1.81 -1.26 -4.86 118.95 115.16 1cza s ARG 853 Ca -0.01 -0.25 0.04 0.00 -1.72 0.00 0.00 55.73 53.78 1cza s ARG 853 Cb 0.12 0.18 0.00 0.00 -0.45 0.00 0.00 34.95 34.80 1cza s ARG 853 CO 0.78 -0.10 -0.17 -1.17 -0.68 0.00 0.00 175.30 173.97 1cza s LEU 854 N -1.07 1.85 -0.34 2.53 2.96 -0.64 -5.01 118.68 118.97 1cza s LEU 854 Ca -0.12 -0.37 -0.08 0.00 -0.22 0.00 0.00 54.13 53.35 1cza s LEU 854 Cb -0.06 -1.00 0.03 0.00 0.50 0.00 0.00 46.19 45.66 1cza s LEU 854 CO 0.01 0.11 0.13 0.20 -1.32 0.00 0.00 176.35 175.48 1cza s ASN 855 N 0.30 5.40 0.01 3.68 0.01 -1.26 0.01 114.94 123.10 1cza s ASN 855 Ca -0.10 -1.05 -0.01 0.00 -0.71 0.00 0.00 52.86 50.99 1cza s ASN 855 Cb -0.14 -1.91 -0.01 0.00 0.41 0.00 0.00 41.25 39.60 1cza s ASN 855 CO 0.04 -0.33 -0.01 0.54 -1.51 0.00 0.00 177.10 175.83 1cza s VAL 856 N 1.45 0.08 -0.05 1.60 0.11 -0.92 -4.92 120.40 117.74 1cza s VAL 856 Ca -0.00 -0.63 0.01 0.00 -2.93 0.00 0.00 61.98 58.43 1cza s VAL 856 Cb -0.19 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 1cza s VAL 856 CO 0.04 -0.35 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.50 1cza s THR 857 N -1.03 3.70 -0.19 5.04 2.01 -0.33 -1.13 115.64 123.71 1cza s THR 857 Ca -0.11 -0.55 -0.02 0.00 0.31 0.00 0.00 61.69 61.32 1cza s THR 857 Cb -0.07 -2.54 -0.00 0.00 0.01 0.00 0.00 72.50 69.90 1cza s THR 857 CO -0.01 0.55 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.67 1cza s VAL 858 N -0.86 2.95 0.03 3.82 1.01 0.33 -2.61 120.40 125.07 1cza s VAL 858 Ca 0.14 -0.65 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 1cza s VAL 858 Cb -0.11 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 1cza s VAL 858 CO 0.03 0.48 0.78 -0.83 0.00 0.00 0.00 175.10 175.56 1cza s GLY 859 N 1.13 2.79 0.07 4.51 0.00 -0.19 -0.97 107.32 114.66 1cza s GLY 859 Ca 0.01 0.30 0.04 0.00 0.00 0.00 0.00 44.72 45.07 1cza s GLY 859 CO -0.03 1.16 -0.11 0.14 0.00 0.00 0.00 173.10 174.25 1cza s VAL 860 N 0.10 0.89 0.29 1.40 1.01 -0.15 -0.96 120.40 122.98 1cza s VAL 860 Ca 0.40 -1.32 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 1cza s VAL 860 Cb -0.20 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.19 1cza s VAL 860 CO 0.23 -0.36 0.61 -0.62 0.00 0.00 0.00 175.10 174.97 1cza s ASP 861 N -1.87 -0.05 0.00 3.32 -1.08 -0.66 -0.66 116.67 115.68 1cza s ASP 861 Ca -0.03 -0.90 0.00 0.00 -0.52 0.00 0.00 52.55 51.11 1cza s ASP 861 Cb -0.08 0.69 0.00 0.00 -1.46 0.00 0.00 42.92 42.06 1cza s ASP 861 CO 0.01 -1.31 0.00 0.61 0.52 0.00 0.00 175.17 175.00 1cza n GLY 862 N -0.45 4.16 0.22 2.66 0.00 -1.26 -1.41 105.19 109.10 1cza n GLY 862 Ca -0.03 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 1cza n GLY 862 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1cza h THR 863 N 1.38 1.28 -0.58 2.61 2.02 -1.87 0.00 112.91 117.75 1cza h THR 863 Ca 0.00 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 65.97 1cza h THR 863 Cb 0.00 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1cza h THR 863 CO 0.00 0.39 0.31 0.25 0.37 0.00 0.00 175.52 176.84 1cza h LEU 864 N 0.50 0.73 -0.28 2.58 5.85 -1.82 0.13 115.31 123.01 1cza h LEU 864 Ca 0.09 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1cza h LEU 864 Cb 0.63 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1cza h LEU 864 CO 0.04 0.62 0.13 0.22 -0.34 0.00 0.00 178.44 179.11 1cza h TYR 865 N 0.78 0.40 -0.25 1.25 3.20 -1.24 0.39 116.97 121.50 1cza h TYR 865 Ca 0.20 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1cza h TYR 865 Cb 0.06 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1cza h TYR 865 CO -0.01 0.38 0.04 0.87 -1.64 0.00 0.00 178.16 177.80 1cza h LYS 866 N 0.31 0.42 0.00 1.82 1.57 -0.70 -3.35 116.57 116.64 1cza h LYS 866 Ca 0.09 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1cza h LYS 866 Cb 0.13 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1cza h LYS 866 CO -0.01 0.54 -1.19 -0.07 -0.57 0.00 0.00 179.45 178.14 1cza h LEU 867 N 0.23 0.00 -9.85 2.94 3.38 -0.65 -3.47 115.31 107.88 1cza h LEU 867 Ca 0.08 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.53 1cza h LEU 867 Cb 0.32 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.12 1cza h LEU 867 CO 0.00 0.51 0.58 -2.28 0.09 0.00 0.00 178.44 177.35 1cza s HIS 868 N -2.97 3.25 0.22 1.13 2.46 0.12 -4.92 115.29 114.58 1cza s HIS 868 Ca -0.01 1.52 0.16 0.00 0.47 0.00 0.00 55.06 57.20 1cza s HIS 868 Cb 0.09 -3.53 0.61 0.00 -0.13 0.00 0.00 32.58 29.61 1cza s HIS 868 CO 0.80 -1.37 1.71 -1.00 -2.47 0.00 0.00 174.74 172.41 1cza h PRO 869 N 3.56 0.00 0.00 2.88 0.13 -1.89 -3.35 132.00 133.32 1cza h PRO 869 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1cza h PRO 869 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1cza h PRO 869 CO 0.66 0.44 -0.92 0.72 -0.23 0.00 0.00 178.00 178.67 1cza n HIS 870 N -3.66 0.00 0.07 1.56 8.25 -1.26 -4.82 115.22 115.36 1cza n HIS 870 Ca -0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.33 1cza n HIS 870 Cb 0.52 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.58 1cza n HIS 870 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1cza h PHE 871 N 0.00 -0.89 -0.92 4.41 3.57 -1.89 -0.58 116.94 120.64 1cza h PHE 871 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1cza h PHE 871 Cb 0.01 0.39 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 1cza h PHE 871 CO 0.00 -0.42 0.57 0.66 -2.23 0.00 0.00 178.31 176.89 1cza h SER 872 N -0.49 1.09 -0.31 0.41 4.64 -1.81 -0.05 113.55 117.03 1cza h SER 872 Ca 0.05 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1cza h SER 872 Cb 0.57 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1cza h SER 872 CO -0.25 0.83 -0.03 -0.09 -0.87 0.00 0.00 176.83 176.41 1cza h ARG 873 N 1.26 0.56 -0.37 4.77 2.43 -1.75 -0.23 114.38 121.06 1cza h ARG 873 Ca 0.33 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1cza h ARG 873 Cb -0.08 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1cza h ARG 873 CO -0.06 0.73 0.16 0.82 -1.51 0.00 0.00 179.97 180.10 1cza h ILE 874 N 0.35 1.18 -0.24 1.20 2.04 -0.92 -1.30 117.51 119.81 1cza h ILE 874 Ca 0.08 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 1cza h ILE 874 Cb 0.49 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1cza h ILE 874 CO 0.02 0.20 0.14 -0.03 0.00 0.00 0.00 178.15 178.47 1cza h MET 875 N 0.45 0.33 -0.83 2.37 4.05 -0.74 -1.03 114.93 119.53 1cza h MET 875 Ca 0.12 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 1cza h MET 875 Cb 0.16 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.85 1cza h MET 875 CO -0.01 0.28 0.49 0.45 0.23 0.00 0.00 176.91 178.35 1cza h HIS 876 N 0.28 1.10 -0.37 1.39 3.86 -0.92 -1.81 115.15 118.69 1cza h HIS 876 Ca 0.08 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1cza h HIS 876 Cb 0.04 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.14 1cza h HIS 876 CO -0.04 0.73 0.23 1.96 0.86 0.00 0.00 177.93 181.67 1cza h GLN 877 N 1.14 0.49 -0.38 2.45 4.20 -0.96 -1.85 115.11 120.21 1cza h GLN 877 Ca 0.30 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 59.00 1cza h GLN 877 Cb -0.03 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 1cza h GLN 877 CO -0.05 0.36 0.17 1.15 -0.67 0.00 0.00 178.83 179.79 1cza h THR 878 N 0.48 0.95 -0.72 -0.54 2.02 -0.95 -1.01 112.91 113.13 1cza h THR 878 Ca 0.13 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1cza h THR 878 Cb -0.01 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 1cza h THR 878 CO -0.03 0.06 0.40 0.58 0.37 0.00 0.00 175.52 176.91 1cza h VAL 879 N 0.35 1.22 -0.82 3.16 2.07 -1.05 0.12 116.25 121.30 1cza h VAL 879 Ca 0.17 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1cza h VAL 879 Cb 0.10 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 1cza h VAL 879 CO -0.13 0.24 0.53 0.50 0.02 0.00 0.00 177.57 178.73 1cza h LYS 880 N 0.99 1.03 -0.04 1.57 3.64 -1.05 -0.22 116.57 122.49 1cza h LYS 880 Ca 0.26 -0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.34 1cza h LYS 880 Cb 0.02 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1cza h LYS 880 CO -0.04 0.68 -0.92 0.93 -2.27 0.00 0.00 179.45 177.83 1cza h GLU 881 N 1.06 0.59 0.00 1.90 5.08 -0.93 -3.08 114.58 119.20 1cza h GLU 881 Ca 0.32 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1cza h GLU 881 Cb -0.05 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1cza h GLU 881 CO -0.09 1.20 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.71 1cza h LEU 882 N 0.36 0.00 -6.02 1.33 3.38 -0.65 -3.37 115.31 110.34 1cza h LEU 882 Ca -0.09 -0.06 -0.56 0.00 0.09 0.00 0.00 57.88 57.26 1cza h LEU 882 Cb 1.55 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.91 1cza h LEU 882 CO 0.17 0.03 -1.05 -1.20 0.09 0.00 0.00 178.44 176.48 1cza n SER 883 N -2.50 0.63 0.32 -0.43 7.64 -0.10 -4.98 113.62 114.20 1cza n SER 883 Ca 0.04 -2.79 0.20 0.00 1.01 0.00 0.00 58.87 57.33 1cza n SER 883 Cb 0.48 -0.64 1.11 0.00 -1.01 0.00 0.00 64.21 64.14 1cza n SER 883 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1cza h PRO 884 N 3.99 0.00 -0.02 1.43 0.13 -1.71 -1.00 132.00 134.81 1cza h PRO 884 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1cza h PRO 884 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1cza h PRO 884 CO 0.51 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.91 1cza n LYS 885 N -3.23 1.67 -4.24 0.86 5.02 -1.26 -4.76 118.16 112.22 1cza n LYS 885 Ca -0.03 -0.97 -0.35 0.00 -2.02 0.00 0.00 58.31 54.95 1cza n LYS 885 Cb 0.12 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.57 1cza n LYS 885 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cza s ASN 887 N -1.10 5.00 -0.13 0.00 3.84 0.10 -4.88 114.94 117.77 1cza s ASN 887 Ca 0.16 -1.84 -0.06 0.00 0.21 0.00 0.00 52.86 51.32 1cza s ASN 887 Cb -0.12 -1.74 -0.04 0.00 -0.55 0.00 0.00 41.25 38.81 1cza s ASN 887 CO 0.05 -0.41 0.08 -0.69 -2.79 0.00 0.00 177.10 173.34 1cza s VAL 888 N 1.11 5.00 -0.18 -5.21 1.01 -1.26 -2.17 120.40 118.69 1cza s VAL 888 Ca 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 1cza s VAL 888 Cb -0.21 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1cza s VAL 888 CO -0.04 0.56 -0.09 -0.55 0.00 0.00 0.00 175.10 174.97 1cza s SER 889 N -0.51 4.06 -0.31 3.32 0.15 -0.29 -5.00 113.70 115.13 1cza s SER 889 Ca 0.11 -0.39 -0.10 0.00 0.70 0.00 0.00 55.95 56.27 1cza s SER 889 Cb -0.12 -1.66 -0.01 0.00 -1.71 0.00 0.00 66.02 62.52 1cza s SER 889 CO 0.02 0.05 0.15 -0.36 1.20 0.00 0.00 173.24 174.30 1cza s PHE 890 N 1.03 3.18 -0.24 3.44 0.40 -1.26 -0.52 117.98 124.01 1cza s PHE 890 Ca -0.00 -0.58 -0.04 0.00 -0.60 0.00 0.00 56.93 55.71 1cza s PHE 890 Cb -0.15 -2.35 0.00 0.00 0.51 0.00 0.00 43.02 41.03 1cza s PHE 890 CO -0.01 -0.46 -0.03 -0.51 0.70 0.00 0.00 175.22 174.91 1cza s LEU 891 N 1.61 3.09 -0.04 -0.37 1.02 -0.14 -4.96 118.68 118.88 1cza s LEU 891 Ca 0.04 -0.55 -0.30 0.00 0.02 0.00 0.00 54.13 53.35 1cza s LEU 891 Cb -0.17 -1.74 -0.04 0.00 0.02 0.00 0.00 46.19 44.26 1cza s LEU 891 CO 0.06 -0.07 1.27 -0.22 0.02 0.00 0.00 176.35 177.41 1cza s LEU 892 N 1.45 4.29 0.34 1.79 2.96 -1.26 -0.98 118.68 127.26 1cza s LEU 892 Ca 0.04 1.90 -0.29 0.00 -0.22 0.00 0.00 54.13 55.57 1cza s LEU 892 Cb -0.15 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.87 1cza s LEU 892 CO -0.03 -0.63 1.46 -0.44 -1.32 0.00 0.00 176.35 175.38 1cza s SER 893 N 1.63 6.47 -0.15 3.68 0.01 0.17 -4.90 113.70 120.61 1cza s SER 893 Ca 0.58 2.92 -0.05 0.00 1.31 0.00 0.00 55.95 60.71 1cza s SER 893 Cb -0.27 -2.66 -0.24 0.00 0.21 0.00 0.00 66.02 63.07 1cza s SER 893 CO 0.23 -0.79 0.23 -0.62 0.41 0.00 0.00 173.24 172.70 1cza n GLU 894 N 0.93 0.73 0.00 12.44 1.02 -1.26 -4.53 120.64 129.97 1cza n GLU 894 Ca 0.02 0.24 0.13 0.00 -0.02 0.00 0.00 57.16 57.54 1cza n GLU 894 Cb 0.40 -1.67 0.47 0.00 -0.02 0.00 0.00 31.44 30.62 1cza n GLU 894 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1cza n ASP 895 N -3.46 0.35 0.00 1.62 8.00 -1.26 -5.04 116.55 116.76 1cza n ASP 895 Ca -0.35 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.03 1cza n ASP 895 Cb 1.03 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 1cza n ASP 895 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cza n GLY 896 N 1.43 -2.99 0.24 0.44 0.00 -1.26 -4.36 105.19 98.69 1cza n GLY 896 Ca 0.09 -1.74 0.16 0.00 0.00 0.00 0.00 46.02 44.53 1cza n GLY 896 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1cza h SER 897 N 0.00 0.00 0.11 1.61 0.02 -1.91 -3.37 113.55 110.01 1cza h SER 897 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1cza h SER 897 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 1cza h SER 897 CO 0.00 0.00 -0.50 1.23 -1.14 0.00 0.00 176.83 176.42 1cza h GLY 898 N 1.10 -1.06 0.20 -3.77 0.00 -1.88 0.24 103.07 97.90 1cza h GLY 898 Ca 0.00 0.61 0.10 0.00 0.00 0.00 0.00 47.33 48.04 1cza h GLY 898 CO 0.00 -0.27 0.05 1.70 0.00 0.00 0.00 176.54 178.03 1cza h LYS 899 N -0.72 0.17 -0.19 4.80 3.64 -1.82 -1.56 116.57 120.88 1cza h LYS 899 Ca 0.01 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1cza h LYS 899 Cb 0.74 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1cza h LYS 899 CO -0.28 0.11 -0.34 0.78 -2.27 0.00 0.00 179.45 177.45 1cza h GLY 900 N 0.18 0.42 1.13 5.01 0.00 -1.61 -1.87 103.07 106.33 1cza h GLY 900 Ca 0.27 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 1cza h GLY 900 CO -0.40 0.34 0.22 0.00 0.00 0.00 0.00 176.54 176.70 1cza h ALA 901 N 1.31 1.05 -0.48 3.60 0.00 -0.62 -1.68 119.26 122.44 1cza h ALA 901 Ca 0.04 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1cza h ALA 901 Cb 0.76 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1cza h ALA 901 CO 0.06 0.64 -0.16 0.00 0.00 0.00 0.00 179.25 179.79 1cza h ALA 902 N 1.18 0.81 -0.72 0.00 0.00 -1.20 -0.49 119.26 118.84 1cza h ALA 902 Ca 0.23 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1cza h ALA 902 Cb 0.30 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1cza h ALA 902 CO -0.01 0.65 0.41 -0.07 0.00 0.00 0.00 179.25 180.23 1cza h LEU 903 N 0.81 0.90 -0.34 0.00 3.38 -0.94 0.14 115.31 119.25 1cza h LEU 903 Ca 0.12 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1cza h LEU 903 Cb 0.70 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1cza h LEU 903 CO 0.05 0.72 0.13 0.40 0.09 0.00 0.00 178.44 179.84 1cza h ILE 904 N 1.00 1.19 -0.53 1.22 2.04 -1.22 -2.14 117.51 119.07 1cza h ILE 904 Ca 0.26 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1cza h ILE 904 Cb 0.02 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1cza h ILE 904 CO -0.04 0.21 0.31 0.74 0.00 0.00 0.00 178.15 179.36 1cza h THR 905 N 0.41 1.16 -0.16 -0.27 2.02 -0.52 -0.92 112.91 114.62 1cza h THR 905 Ca 0.11 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1cza h THR 905 Cb 0.19 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1cza h THR 905 CO -0.01 0.17 0.02 0.00 0.37 0.00 0.00 175.52 176.07 1cza h ALA 906 N 1.61 0.21 -0.36 6.16 0.00 -0.30 -0.50 119.26 126.08 1cza h ALA 906 Ca 0.19 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1cza h ALA 906 Cb -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1cza h ALA 906 CO -0.03 -0.11 -0.11 0.28 0.00 0.00 0.00 179.25 179.27 1cza h VAL 907 N 0.04 1.24 -0.25 0.00 2.07 -1.15 0.26 116.25 118.46 1cza h VAL 907 Ca 0.05 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.49 1cza h VAL 907 Cb 0.32 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1cza h VAL 907 CO 0.00 0.37 0.14 1.23 0.02 0.00 0.00 177.57 179.33 1cza h GLY 908 N 0.96 0.35 0.82 2.17 0.00 -0.80 0.71 103.07 107.28 1cza h GLY 908 Ca 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1cza h GLY 908 CO 0.03 0.10 -0.37 -2.08 0.00 0.00 0.00 176.54 174.22 1cza h VAL 909 N 0.30 0.25 -0.81 4.60 2.07 -0.74 -2.80 116.25 119.11 1cza h VAL 909 Ca 0.10 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.77 1cza h VAL 909 Cb 0.00 0.25 -0.15 0.00 -1.52 0.00 0.00 31.29 29.88 1cza h VAL 909 CO -0.05 0.00 -0.28 -0.09 0.02 0.00 0.00 177.57 177.17 1cza h ARG 910 N -0.90 -0.04 0.00 1.57 2.43 -0.55 0.46 114.38 117.36 1cza h ARG 910 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1cza h ARG 910 Cb 0.73 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1cza h ARG 910 CO 0.06 -0.02 0.00 1.28 -1.51 0.00 0.00 179.97 179.77 1cza n LEU 911 N -5.50 0.00 0.15 3.80 4.77 0.24 -0.74 117.00 119.72 1cza n LEU 911 Ca 0.10 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.68 1cza n LEU 911 Cb 0.40 -0.47 0.43 0.00 -2.33 0.00 0.00 43.42 41.46 1cza n LEU 911 CO -0.05 -0.37 0.88 0.03 -1.33 0.00 0.00 177.39 176.55 1cza h ARG 912 N 0.00 0.00 0.00 3.23 3.08 0.18 -3.50 114.38 117.36 1cza h ARG 912 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1cza h ARG 912 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1cza h ARG 912 CO 0.00 0.00 0.00 2.41 -1.07 0.00 0.00 179.97 181.31