#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cxf s PRO 2 N 0.00 1.57 0.54 0.00 0.04 -1.26 -4.70 135.00 131.19 1cxf s PRO 2 Ca 0.00 0.23 0.23 0.00 0.04 0.00 0.00 61.00 61.50 1cxf s PRO 2 Cb 0.00 -1.89 1.44 0.00 0.04 0.00 0.00 34.50 34.08 1cxf s PRO 2 CO 0.00 -1.89 2.08 0.38 0.04 0.00 0.00 177.00 177.61 1cxf h ASP 3 N -1.27 0.00 1.35 6.66 2.03 -1.93 -2.21 116.42 121.05 1cxf h ASP 3 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 1cxf h ASP 3 Cb 1.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.83 1cxf h ASP 3 CO 0.64 0.00 -0.00 0.35 -1.03 0.00 0.00 179.24 179.19 1cxf n THR 4 N -4.26 0.44 -1.53 1.15 -2.24 -1.26 -4.85 114.28 101.73 1cxf n THR 4 Ca 0.03 -0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 1cxf n THR 4 Cb 0.36 -0.56 -0.00 0.00 -2.10 0.00 0.00 70.33 68.02 1cxf n THR 4 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1cxf n SER 5 N -2.07 0.34 0.30 3.42 2.88 -0.83 -4.88 113.62 112.77 1cxf n SER 5 Ca 0.06 1.06 0.19 0.00 -1.33 0.00 0.00 58.87 58.85 1cxf n SER 5 Cb 0.41 -1.21 0.87 0.00 -0.75 0.00 0.00 64.21 63.53 1cxf n SER 5 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1cxf h VAL 6 N 1.41 0.00 0.00 2.46 3.04 -1.90 -2.41 116.25 118.85 1cxf h VAL 6 Ca -0.40 -0.33 -0.03 0.00 -1.01 0.00 0.00 66.70 64.93 1cxf h VAL 6 Cb 1.37 1.32 -0.00 0.00 -2.01 0.00 0.00 31.29 31.97 1cxf h VAL 6 CO 0.56 0.00 -0.14 0.77 -1.01 0.00 0.00 177.57 177.75 1cxf h SER 7 N 0.00 0.00 -0.43 3.17 4.64 -1.94 -3.42 113.55 115.58 1cxf h SER 7 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1cxf h SER 7 Cb 0.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 1cxf h SER 7 CO 0.00 0.14 0.43 0.21 -0.87 0.00 0.00 176.83 176.75 1cxf s ASN 8 N -6.08 4.36 0.06 4.97 3.84 -0.91 -4.75 114.94 116.42 1cxf s ASN 8 Ca 0.03 -0.71 0.21 0.00 0.21 0.00 0.00 52.86 52.60 1cxf s ASN 8 Cb 0.08 -2.57 0.86 0.00 -0.55 0.00 0.00 41.25 39.07 1cxf s ASN 8 CO 0.63 -3.60 1.66 0.29 -2.79 0.00 0.00 177.10 173.28 1cxf n LYS 9 N 8.59 0.05 0.04 0.43 5.02 -1.26 -3.46 118.16 127.58 1cxf n LYS 9 Ca 0.43 0.21 0.11 0.00 -2.02 0.00 0.00 58.31 57.04 1cxf n LYS 9 Cb 0.46 -1.58 -0.01 0.00 -0.02 0.00 0.00 35.03 33.87 1cxf n LYS 9 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1cxf n GLN 10 N -1.68 0.44 -4.22 1.97 3.00 -1.26 -1.02 117.38 114.60 1cxf n GLN 10 Ca 0.04 0.01 -0.32 0.00 -0.01 0.00 0.00 57.00 56.72 1cxf n GLN 10 Cb 0.25 -1.65 -0.16 0.00 0.00 0.00 0.00 30.24 28.67 1cxf n GLN 10 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1cxf s ASN 11 N -4.44 3.01 -0.04 1.08 3.84 -1.22 -4.65 114.94 112.51 1cxf s ASN 11 Ca 0.01 -0.60 0.06 0.00 0.21 0.00 0.00 52.86 52.54 1cxf s ASN 11 Cb 0.13 -1.40 0.09 0.00 -0.55 0.00 0.00 41.25 39.52 1cxf s ASN 11 CO 0.81 0.01 1.02 0.49 -2.79 0.00 0.00 177.10 176.64 1cxf n PHE 12 N 4.52 0.00 0.39 0.43 3.01 -1.26 -4.70 117.46 119.85 1cxf n PHE 12 Ca -0.20 -0.62 0.12 0.00 1.01 0.00 0.00 57.45 57.77 1cxf n PHE 12 Cb 0.50 -0.08 0.26 0.00 -0.01 0.00 0.00 39.48 40.16 1cxf n PHE 12 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1cxf h SER 13 N 0.00 0.00 -0.01 4.37 0.02 -1.84 -3.02 113.55 113.06 1cxf h SER 13 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cxf h SER 13 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1cxf h SER 13 CO 0.00 0.00 -0.02 0.35 -1.14 0.00 0.00 176.83 176.02 1cxf n THR 14 N -2.73 0.00 -3.96 -2.27 -2.24 -1.26 -4.50 114.28 97.32 1cxf n THR 14 Ca 0.05 -0.36 -0.22 0.00 -2.27 0.00 0.00 64.05 61.25 1cxf n THR 14 Cb 0.49 0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 69.64 1cxf n THR 14 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1cxf s ASP 15 N -2.03 5.35 -0.26 3.42 1.01 -1.14 -3.18 116.67 119.83 1cxf s ASP 15 Ca 0.33 -0.40 0.03 0.00 0.71 0.00 0.00 52.55 53.21 1cxf s ASP 15 Cb 0.20 -1.14 0.06 0.00 1.01 0.00 0.00 42.92 43.06 1cxf s ASP 15 CO 0.33 -0.21 -0.09 -0.69 0.21 0.00 0.00 175.17 174.72 1cxf s VAL 16 N -2.24 2.06 0.58 -1.27 1.01 -1.26 -4.26 120.40 115.02 1cxf s VAL 16 Ca 0.37 -1.62 -0.16 0.00 0.00 0.00 0.00 61.98 60.57 1cxf s VAL 16 Cb -0.07 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1cxf s VAL 16 CO 0.26 -0.09 1.05 -0.63 0.00 0.00 0.00 175.10 175.68 1cxf s ILE 17 N 1.14 3.89 -0.22 2.22 1.01 -0.31 -1.89 121.20 127.04 1cxf s ILE 17 Ca -0.07 0.92 -0.03 0.00 0.00 0.00 0.00 60.65 61.48 1cxf s ILE 17 Cb -0.20 -3.43 0.07 0.00 0.01 0.00 0.00 42.46 38.91 1cxf s ILE 17 CO -0.06 -0.51 0.05 -0.47 0.00 0.00 0.00 174.94 173.96 1cxf s TYR 18 N -2.44 1.07 -0.17 3.97 6.14 -0.54 -1.89 117.35 123.50 1cxf s TYR 18 Ca 0.63 -1.00 -0.29 0.00 0.64 0.00 0.00 57.07 57.05 1cxf s TYR 18 Cb -0.15 -1.13 -0.00 0.00 0.42 0.00 0.00 41.96 41.10 1cxf s TYR 18 CO 0.35 -0.67 1.01 -1.14 0.64 0.00 0.00 175.55 175.73 1cxf s GLN 19 N 1.84 4.33 -0.20 4.97 0.74 0.59 -1.54 119.66 130.39 1cxf s GLN 19 Ca 0.02 1.34 -0.03 0.00 0.05 0.00 0.00 55.36 56.74 1cxf s GLN 19 Cb -0.17 -3.59 -0.01 0.00 1.10 0.00 0.00 33.01 30.34 1cxf s GLN 19 CO -0.13 -0.47 -0.07 0.42 -0.55 0.00 0.00 175.29 174.49 1cxf s ILE 20 N 2.60 3.20 -0.61 -2.34 1.01 0.63 -0.75 121.20 124.95 1cxf s ILE 20 Ca 0.45 -0.56 -0.24 0.00 0.00 0.00 0.00 60.65 60.31 1cxf s ILE 20 Cb -0.17 -2.43 0.05 0.00 0.01 0.00 0.00 42.46 39.92 1cxf s ILE 20 CO 0.12 0.45 0.98 0.12 0.00 0.00 0.00 174.94 176.61 1cxf s PHE 21 N 1.29 2.70 0.18 3.97 5.36 -1.26 -3.36 117.98 126.86 1cxf s PHE 21 Ca 0.03 -0.21 -0.24 0.00 -0.96 0.00 0.00 56.93 55.56 1cxf s PHE 21 Cb -0.14 -4.20 0.08 0.00 -0.34 0.00 0.00 43.02 38.41 1cxf s PHE 21 CO -0.03 -1.52 1.57 1.15 -1.46 0.00 0.00 175.22 174.92 1cxf h THR 22 N 6.00 0.08 -0.65 0.12 2.02 -1.92 -1.88 112.91 116.68 1cxf h THR 22 Ca -0.27 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.97 1cxf h THR 22 Cb 1.07 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 1cxf h THR 22 CO 1.14 0.00 0.43 -0.78 0.37 0.00 0.00 175.52 176.68 1cxf h ASP 23 N -0.17 0.56 -0.53 4.18 3.58 -1.78 -2.89 116.42 119.37 1cxf h ASP 23 Ca 0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1cxf h ASP 23 Cb 0.56 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1cxf h ASP 23 CO -0.75 0.36 0.00 0.54 -2.88 0.00 0.00 179.24 176.51 1cxf n ARG 24 N -4.48 2.45 0.00 0.28 5.12 -0.73 -0.95 116.66 118.35 1cxf n ARG 24 Ca 0.09 -2.00 0.00 0.00 -1.93 0.00 0.00 57.85 54.02 1cxf n ARG 24 Cb 0.24 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.05 1cxf n ARG 24 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1cxf n PHE 25 N 1.02 0.00 -3.50 -1.55 7.35 -1.04 -2.04 117.46 117.69 1cxf n PHE 25 Ca 0.18 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.88 1cxf n PHE 25 Cb 0.52 -0.09 -0.03 0.00 0.35 0.00 0.00 39.48 40.23 1cxf n PHE 25 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1cxf s SER 26 N -3.01 -1.10 -1.04 -2.13 0.15 -1.26 -4.57 113.70 100.73 1cxf s SER 26 Ca 0.00 1.30 -0.23 0.00 0.70 0.00 0.00 55.95 57.72 1cxf s SER 26 Cb 0.00 2.17 0.04 0.00 -1.71 0.00 0.00 66.02 66.52 1cxf s SER 26 CO 0.00 -0.21 1.52 -0.62 1.20 0.00 0.00 173.24 175.13 1cxf s ASP 27 N 2.83 6.44 0.00 5.45 2.15 -1.26 -2.17 116.67 130.11 1cxf s ASP 27 Ca -0.00 -1.51 0.18 0.00 0.43 0.00 0.00 52.55 51.65 1cxf s ASP 27 Cb -0.12 -2.57 0.95 0.00 -0.30 0.00 0.00 42.92 40.88 1cxf s ASP 27 CO -0.19 -1.57 1.63 0.61 -0.17 0.00 0.00 175.17 175.48 1cxf n GLY 28 N 6.72 -0.64 3.08 2.66 0.00 -1.26 -4.50 105.19 111.25 1cxf n GLY 28 Ca 0.35 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 1cxf n GLY 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cxf s ASN 29 N -1.54 -0.79 0.63 1.61 2.47 -1.26 -4.70 114.94 111.36 1cxf s ASN 29 Ca 0.28 -1.03 0.36 0.00 0.42 0.00 0.00 52.86 52.89 1cxf s ASN 29 Cb 0.13 1.58 2.09 0.00 -1.45 0.00 0.00 41.25 43.60 1cxf s ASN 29 CO 0.22 -0.19 2.30 -0.65 -3.72 0.00 0.00 177.10 175.06 1cxf h PRO 30 N 6.97 0.00 -0.39 0.43 0.11 -1.91 -2.05 132.00 135.17 1cxf h PRO 30 Ca 0.05 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.19 1cxf h PRO 30 Cb 1.14 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1cxf h PRO 30 CO 0.13 0.00 0.26 0.00 -0.21 0.00 0.00 178.00 178.18 1cxf h ALA 31 N 1.99 1.86 -0.01 -0.75 0.00 -1.98 -1.82 119.26 118.55 1cxf h ALA 31 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1cxf h ALA 31 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1cxf h ALA 31 CO -0.00 0.09 -0.12 0.27 0.00 0.00 0.00 179.25 179.49 1cxf n ASN 32 N -4.48 0.70 -4.74 0.00 0.23 -0.77 -4.93 115.26 101.26 1cxf n ASN 32 Ca 0.04 -0.80 -0.41 0.00 -0.53 0.00 0.00 54.58 52.88 1cxf n ASN 32 Cb 0.16 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 1cxf n ASN 32 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1cxf n ASN 33 N -0.74 3.27 -4.39 0.53 4.13 -0.69 -4.28 115.26 113.09 1cxf n ASN 33 Ca 0.15 1.20 -0.29 0.00 1.68 0.00 0.00 54.58 57.32 1cxf n ASN 33 Cb 0.29 -1.56 0.22 0.00 -1.54 0.00 0.00 39.78 37.19 1cxf n ASN 33 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 1cxf s PRO 34 N -2.09 -0.60 0.07 3.52 0.02 -1.26 -5.04 135.00 129.62 1cxf s PRO 34 Ca 0.56 0.46 0.02 0.00 0.02 0.00 0.00 61.00 62.06 1cxf s PRO 34 Cb -0.51 -1.62 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 1cxf s PRO 34 CO 0.62 -3.41 -0.07 0.95 -0.33 0.00 0.00 177.00 174.75 1cxf s THR 35 N -2.76 0.64 0.00 0.99 -4.23 -1.26 -4.60 115.64 104.41 1cxf s THR 35 Ca 0.67 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 1cxf s THR 35 Cb -0.19 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.43 1cxf s THR 35 CO 0.60 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1cxf n GLY 36 N 0.62 3.18 0.28 3.99 0.00 -1.26 -3.11 105.19 108.89 1cxf n GLY 36 Ca -0.17 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 45.80 1cxf n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cxf h ALA 37 N -0.62 1.95 0.00 4.61 0.00 -2.03 -1.99 119.26 121.17 1cxf h ALA 37 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cxf h ALA 37 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1cxf h ALA 37 CO 0.00 -0.08 -0.55 0.00 0.00 0.00 0.00 179.25 178.62 1cxf n ALA 38 N -2.50 2.84 -2.59 0.00 0.00 -1.18 -4.92 120.51 112.16 1cxf n ALA 38 Ca -0.02 -0.22 -0.29 0.00 0.00 0.00 0.00 53.44 52.91 1cxf n ALA 38 Cb 0.15 -1.21 -0.09 0.00 0.00 0.00 0.00 19.45 18.30 1cxf n ALA 38 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1cxf s PHE 39 N -3.16 2.76 -0.43 0.00 5.36 -0.75 0.12 117.98 121.87 1cxf s PHE 39 Ca 0.07 -0.15 0.07 0.00 -0.96 0.00 0.00 56.93 55.95 1cxf s PHE 39 Cb 0.13 -1.42 0.18 0.00 -0.34 0.00 0.00 43.02 41.56 1cxf s PHE 39 CO 0.71 0.45 0.59 0.34 -1.46 0.00 0.00 175.22 175.84 1cxf s ASP 40 N -2.34 -0.79 0.60 6.13 2.15 0.67 -4.66 116.67 118.44 1cxf s ASP 40 Ca 0.23 -1.33 0.32 0.00 0.43 0.00 0.00 52.55 52.19 1cxf s ASP 40 Cb -0.11 1.52 1.90 0.00 -0.30 0.00 0.00 42.92 45.94 1cxf s ASP 40 CO 0.15 -0.16 2.26 1.23 -0.17 0.00 0.00 175.17 178.48 1cxf h GLY 41 N 6.41 0.00 2.00 2.66 0.00 -1.78 0.35 103.07 112.71 1cxf h GLY 41 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1cxf h GLY 41 CO 0.11 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.65 1cxf h THR 42 N 0.00 0.00 -6.25 4.70 1.03 -1.93 -3.47 112.91 107.00 1cxf h THR 42 Ca 0.01 -0.56 -0.46 0.00 -0.01 0.00 0.00 66.41 65.39 1cxf h THR 42 Cb 0.06 1.50 -0.01 0.00 -1.07 0.00 0.00 68.15 68.64 1cxf h THR 42 CO -0.00 0.00 -0.80 0.00 -0.01 0.00 0.00 175.52 174.71 1cxf n THR 44 N -4.49 0.68 -3.61 0.00 -1.04 -1.26 -4.66 114.28 99.89 1cxf n THR 44 Ca -0.12 -0.63 -0.40 0.00 -2.04 0.00 0.00 64.05 60.87 1cxf n THR 44 Cb 0.60 -0.34 -0.09 0.00 -1.82 0.00 0.00 70.33 68.68 1cxf n THR 44 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1cxf s ASN 45 N -5.17 5.60 0.00 8.00 3.84 -1.26 -4.96 114.94 120.99 1cxf s ASN 45 Ca -0.06 -2.13 0.00 0.00 0.21 0.00 0.00 52.86 50.88 1cxf s ASN 45 Cb 0.10 -1.96 0.00 0.00 -0.55 0.00 0.00 41.25 38.84 1cxf s ASN 45 CO 0.85 -0.61 0.18 0.18 -2.79 0.00 0.00 177.10 174.91 1cxf n LEU 46 N 4.56 0.03 -0.03 3.21 4.77 -1.26 -1.84 117.00 126.44 1cxf n LEU 46 Ca -0.03 -0.01 0.02 0.00 -0.03 0.00 0.00 56.01 55.95 1cxf n LEU 46 Cb 0.41 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 1cxf n LEU 46 CO 0.39 0.01 0.06 0.54 -1.33 0.00 0.00 177.39 177.06 1cxf n ARG 47 N -0.37 4.49 -2.92 3.23 1.74 -1.26 -4.84 116.66 116.73 1cxf n ARG 47 Ca 0.00 -0.16 -0.18 0.00 -0.77 0.00 0.00 57.85 56.74 1cxf n ARG 47 Cb 0.01 -0.74 0.02 0.00 -1.02 0.00 0.00 32.46 30.72 1cxf n ARG 47 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1cxf s LEU 48 N -1.73 3.53 0.28 0.55 1.02 -0.77 -1.16 118.68 120.41 1cxf s LEU 48 Ca 0.02 -0.34 -0.28 0.00 0.02 0.00 0.00 54.13 53.54 1cxf s LEU 48 Cb 0.03 -2.66 -0.09 0.00 0.02 0.00 0.00 46.19 43.49 1cxf s LEU 48 CO 0.11 -0.89 0.98 -0.31 0.02 0.00 0.00 176.35 176.26 1cxf s TYR 49 N -2.47 3.77 -0.29 0.29 2.02 0.12 -4.85 117.35 115.94 1cxf s TYR 49 Ca 0.56 1.82 0.12 0.00 -0.37 0.00 0.00 57.07 59.20 1cxf s TYR 49 Cb -0.10 -3.03 -0.16 0.00 -0.40 0.00 0.00 41.96 38.27 1cxf s TYR 49 CO 0.35 0.12 0.40 0.00 -1.57 0.00 0.00 175.55 174.84 1cxf n GLY 51 N 1.54 0.47 3.65 0.00 0.00 -1.26 -4.46 105.19 105.13 1cxf n GLY 51 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1cxf n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cxf n GLY 52 N -1.61 0.09 3.65 -0.02 0.00 -0.13 -4.16 105.19 103.02 1cxf n GLY 52 Ca 0.00 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1cxf n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1cxf s ASP 53 N -0.77 0.48 0.44 1.61 1.47 -0.92 -4.10 116.67 114.87 1cxf s ASP 53 Ca 0.65 -1.33 0.10 0.00 1.18 0.00 0.00 52.55 53.15 1cxf s ASP 53 Cb -0.51 0.77 0.98 0.00 -0.34 0.00 0.00 42.92 43.82 1cxf s ASP 53 CO 0.55 -1.51 2.08 -0.50 0.68 0.00 0.00 175.17 176.47 1cxf h TRP 54 N 2.04 0.37 -0.36 2.11 6.55 -1.74 -0.76 115.95 124.16 1cxf h TRP 54 Ca -0.30 0.01 -0.10 0.00 0.95 0.00 0.00 58.89 59.44 1cxf h TRP 54 Cb 1.24 -0.13 -0.02 0.00 -0.86 0.00 0.00 29.16 29.40 1cxf h TRP 54 CO 1.47 0.23 -0.20 0.37 -1.05 0.00 0.00 178.44 179.26 1cxf h GLN 55 N 0.40 0.69 0.02 0.49 5.75 -1.87 0.58 115.11 121.17 1cxf h GLN 55 Ca 0.12 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 1cxf h GLN 55 Cb -0.00 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.50 1cxf h GLN 55 CO -0.03 0.84 -0.03 0.78 -2.65 0.00 0.00 178.83 177.75 1cxf h GLY 56 N 0.98 -0.05 1.01 2.39 0.00 -1.07 0.11 103.07 106.44 1cxf h GLY 56 Ca 0.09 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.46 1cxf h GLY 56 CO 0.05 -0.03 0.49 -2.22 0.00 0.00 0.00 176.54 174.83 1cxf h ILE 57 N -0.07 1.19 -0.38 2.60 2.04 -1.13 0.17 117.51 121.94 1cxf h ILE 57 Ca 0.00 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1cxf h ILE 57 Cb 0.07 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 1cxf h ILE 57 CO -0.01 0.19 0.19 0.40 0.00 0.00 0.00 178.15 178.91 1cxf h ILE 58 N 1.02 1.17 -0.66 -0.67 2.04 -0.59 0.41 117.51 120.22 1cxf h ILE 58 Ca 0.27 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1cxf h ILE 58 Cb -0.11 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1cxf h ILE 58 CO -0.06 0.18 0.42 0.78 0.00 0.00 0.00 178.15 179.47 1cxf h ASN 59 N 0.48 0.71 0.55 1.72 2.35 -0.15 0.25 115.58 121.49 1cxf h ASN 59 Ca 0.13 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.76 1cxf h ASN 59 Cb 0.11 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1cxf h ASN 59 CO -0.02 0.50 -0.57 0.11 -1.65 0.00 0.00 177.43 175.81 1cxf h LYS 60 N 0.84 0.02 -0.38 0.81 1.79 -0.68 0.49 116.57 119.46 1cxf h LYS 60 Ca 0.26 -0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.56 1cxf h LYS 60 Cb -0.03 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1cxf h LYS 60 CO -0.09 0.58 -0.35 0.82 -1.08 0.00 0.00 179.45 179.33 1cxf h ILE 61 N 0.02 1.28 0.00 1.86 2.04 0.85 -3.13 117.51 120.42 1cxf h ILE 61 Ca -0.01 -1.52 -0.14 0.00 1.00 0.00 0.00 64.86 64.19 1cxf h ILE 61 Cb 1.01 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1cxf h ILE 61 CO 0.07 0.51 -0.67 0.78 0.00 0.00 0.00 178.15 178.85 1cxf h ASN 62 N 0.73 0.00 -0.38 1.72 -0.26 -0.26 -3.32 115.58 113.82 1cxf h ASN 62 Ca 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1cxf h ASN 62 Cb 0.93 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.19 1cxf h ASN 62 CO 0.09 0.67 0.00 -0.90 -1.06 0.00 0.00 177.43 176.22 1cxf n ASP 63 N -3.32 2.94 0.00 5.81 5.68 0.14 -4.96 116.55 122.84 1cxf n ASP 63 Ca 0.01 -2.25 0.00 0.00 -0.50 0.00 0.00 54.79 52.05 1cxf n ASP 63 Cb 0.78 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 1cxf n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cxf n GLY 64 N 0.79 2.47 0.25 6.12 0.00 -1.23 -4.95 105.19 108.64 1cxf n GLY 64 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 1cxf n GLY 64 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1cxf h TYR 65 N 0.00 -0.54 -0.00 1.61 3.20 -1.84 0.38 116.97 119.78 1cxf h TYR 65 Ca 0.00 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1cxf h TYR 65 Cb 0.00 0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1cxf h TYR 65 CO 0.00 -0.28 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.13 1cxf h LEU 66 N -0.20 0.04 -1.84 2.82 3.38 -1.88 -3.14 115.31 114.49 1cxf h LEU 66 Ca 0.14 -0.70 -0.03 0.00 0.09 0.00 0.00 57.88 57.39 1cxf h LEU 66 Cb 0.42 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1cxf h LEU 66 CO -0.38 0.73 -0.14 0.71 0.09 0.00 0.00 178.44 179.45 1cxf h THR 67 N -0.65 0.86 -0.39 0.22 1.35 -1.78 -1.71 112.91 110.82 1cxf h THR 67 Ca -0.00 -0.51 -0.09 0.00 -0.55 0.00 0.00 66.41 65.25 1cxf h THR 67 Cb 0.73 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.43 1cxf h THR 67 CO 0.01 0.13 -0.14 1.23 -0.25 0.00 0.00 175.52 176.50 1cxf h GLY 68 N 0.58 0.76 1.96 5.82 0.00 -0.28 -2.03 103.07 109.88 1cxf h GLY 68 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1cxf h GLY 68 CO 0.02 0.53 0.00 1.03 0.00 0.00 0.00 176.54 178.12 1cxf n MET 69 N -4.16 0.03 -0.81 4.80 2.00 -0.67 -4.72 117.12 113.60 1cxf n MET 69 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.79 1cxf n MET 69 Cb 0.37 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.09 1cxf n MET 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1cxf n GLY 70 N 0.95 0.87 3.75 3.03 0.00 -0.76 -2.84 105.19 110.19 1cxf n GLY 70 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1cxf n GLY 70 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1cxf n VAL 71 N -2.09 1.68 -0.99 1.61 0.31 -1.11 -4.63 118.33 113.11 1cxf n VAL 71 Ca 0.00 -0.42 0.02 0.00 -0.01 0.00 0.00 64.34 63.93 1cxf n VAL 71 Cb 0.00 -1.89 0.03 0.00 -0.91 0.00 0.00 33.84 31.07 1cxf n VAL 71 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1cxf n THR 72 N 0.96 0.69 -3.53 2.52 -2.24 -0.79 -4.53 114.28 107.36 1cxf n THR 72 Ca 0.04 -0.78 -0.11 0.00 -2.27 0.00 0.00 64.05 60.93 1cxf n THR 72 Cb 0.37 0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 69.03 1cxf n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cxf s ALA 73 N -0.92 -1.84 0.03 6.98 0.00 -1.18 -1.30 121.76 123.54 1cxf s ALA 73 Ca 0.07 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.30 1cxf s ALA 73 Cb 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 1cxf s ALA 73 CO 0.01 -0.50 -0.07 0.96 0.00 0.00 0.00 175.76 176.16 1cxf s ILE 74 N -2.08 0.52 -0.22 0.00 -4.36 -0.27 -1.47 121.20 113.32 1cxf s ILE 74 Ca -0.01 -0.94 0.01 0.00 -0.26 0.00 0.00 60.65 59.46 1cxf s ILE 74 Cb -0.01 -0.57 0.05 0.00 1.25 0.00 0.00 42.46 43.19 1cxf s ILE 74 CO -0.02 -0.30 -0.09 0.86 0.24 0.00 0.00 174.94 175.63 1cxf s TRP 75 N -1.17 2.57 0.20 1.37 -0.00 -0.59 -0.53 118.94 120.79 1cxf s TRP 75 Ca -0.08 -1.78 0.05 0.00 -0.00 0.00 0.00 56.10 54.29 1cxf s TRP 75 Cb -0.09 -1.68 -0.04 0.00 -0.00 0.00 0.00 33.47 31.67 1cxf s TRP 75 CO 0.00 -0.78 0.20 0.96 -0.00 0.00 0.00 176.95 177.34 1cxf s ILE 76 N 1.34 4.70 0.72 5.86 -4.36 0.08 -0.27 121.20 129.27 1cxf s ILE 76 Ca -0.04 -1.10 -0.16 0.00 -0.26 0.00 0.00 60.65 59.08 1cxf s ILE 76 Cb -0.18 -3.46 -0.05 0.00 1.25 0.00 0.00 42.46 40.02 1cxf s ILE 76 CO -0.07 -0.20 0.40 -1.20 0.24 0.00 0.00 174.94 174.11 1cxf n SER 77 N -0.75 -1.67 -4.69 4.36 7.64 -1.21 -1.12 113.62 116.18 1cxf n SER 77 Ca -0.08 0.57 -0.50 0.00 1.01 0.00 0.00 58.87 59.88 1cxf n SER 77 Cb 0.56 -1.16 -0.05 0.00 -1.01 0.00 0.00 64.21 62.55 1cxf n SER 77 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1cxf n GLN 78 N -0.37 2.03 0.27 1.43 7.27 -1.26 -4.22 117.38 122.53 1cxf n GLN 78 Ca 0.09 0.74 0.16 0.00 0.07 0.00 0.00 57.00 58.07 1cxf n GLN 78 Cb 0.50 -2.57 0.59 0.00 2.41 0.00 0.00 30.24 31.17 1cxf n GLN 78 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1cxf h PRO 79 N 8.95 0.00 -7.21 3.69 0.13 -1.86 -3.44 132.00 132.25 1cxf h PRO 79 Ca -0.48 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 1cxf h PRO 79 Cb 1.28 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.58 1cxf h PRO 79 CO 0.95 0.02 0.34 0.14 -0.23 0.00 0.00 178.00 179.22 1cxf s VAL 80 N -3.60 2.25 0.08 1.56 -7.23 -1.26 -1.38 120.40 110.83 1cxf s VAL 80 Ca 0.02 0.11 -0.31 0.00 -1.81 0.00 0.00 61.98 59.99 1cxf s VAL 80 Cb 0.08 -2.53 -0.08 0.00 0.56 0.00 0.00 36.38 34.42 1cxf s VAL 80 CO 0.57 -0.08 1.50 -0.70 -0.31 0.00 0.00 175.10 176.08 1cxf s GLU 81 N -4.17 4.26 0.39 4.82 2.12 -0.34 -4.10 118.70 121.68 1cxf s GLU 81 Ca 0.72 2.17 0.08 0.00 0.36 0.00 0.00 54.97 58.29 1cxf s GLU 81 Cb -0.27 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.69 1cxf s GLU 81 CO 0.50 -0.59 0.46 -0.80 -0.54 0.00 0.00 175.26 174.29 1cxf s ASN 82 N 1.69 5.50 1.18 -1.70 0.02 -1.26 -0.85 114.94 119.52 1cxf s ASN 82 Ca 0.68 -0.48 -0.16 0.00 -1.02 0.00 0.00 52.86 51.88 1cxf s ASN 82 Cb -0.37 -0.78 0.28 0.00 0.02 0.00 0.00 41.25 40.40 1cxf s ASN 82 CO 0.30 -0.62 1.04 0.27 0.02 0.00 0.00 177.10 178.11 1cxf s ILE 83 N -2.35 1.79 -0.64 0.60 -4.36 -0.96 -4.75 121.20 110.52 1cxf s ILE 83 Ca 0.49 0.00 0.07 0.00 -0.26 0.00 0.00 60.65 60.95 1cxf s ILE 83 Cb -0.07 -2.27 0.01 0.00 1.25 0.00 0.00 42.46 41.38 1cxf s ILE 83 CO 0.30 0.00 0.54 -1.22 0.24 0.00 0.00 174.94 174.81 1cxf n TYR 84 N -4.84 0.00 -1.81 1.37 4.01 -1.26 -4.72 117.16 109.92 1cxf n TYR 84 Ca 0.07 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.40 1cxf n TYR 84 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.60 1cxf n TYR 84 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1cxf s SER 85 N -0.96 6.35 -0.41 7.72 0.01 -1.26 -4.97 113.70 120.18 1cxf s SER 85 Ca 0.06 3.05 -0.13 0.00 1.31 0.00 0.00 55.95 60.23 1cxf s SER 85 Cb 0.05 -2.67 0.04 0.00 0.21 0.00 0.00 66.02 63.65 1cxf s SER 85 CO 0.15 -0.87 0.28 -0.63 0.41 0.00 0.00 173.24 172.58 1cxf s ILE 86 N -1.12 4.90 -0.23 1.44 1.01 -1.26 -4.60 121.20 121.35 1cxf s ILE 86 Ca 0.53 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 60.18 1cxf s ILE 86 Cb -0.46 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 1cxf s ILE 86 CO 0.63 -0.36 0.15 -0.63 0.00 0.00 0.00 174.94 174.74 1cxf s ILE 87 N 1.60 5.37 -0.63 2.92 1.01 0.32 -4.84 121.20 126.95 1cxf s ILE 87 Ca 0.03 0.19 -0.22 0.00 0.00 0.00 0.00 60.65 60.65 1cxf s ILE 87 Cb -0.20 -3.49 0.07 0.00 0.01 0.00 0.00 42.46 38.84 1cxf s ILE 87 CO 0.07 0.37 0.93 0.21 0.00 0.00 0.00 174.94 176.52 1cxf s ASN 88 N 0.87 6.20 -1.29 3.58 2.47 -1.26 0.31 114.94 125.82 1cxf s ASN 88 Ca 0.08 -0.93 -0.12 0.00 0.42 0.00 0.00 52.86 52.31 1cxf s ASN 88 Cb -0.13 -2.41 0.14 0.00 -1.45 0.00 0.00 41.25 37.41 1cxf s ASN 88 CO 0.03 -1.36 1.77 -1.22 -3.72 0.00 0.00 177.10 172.59 1cxf n TYR 89 N 7.51 3.88 -2.85 0.43 4.01 0.17 -4.57 117.16 125.74 1cxf n TYR 89 Ca -0.04 -3.01 -0.07 0.00 -0.16 0.00 0.00 57.90 54.62 1cxf n TYR 89 Cb 0.45 -2.19 0.01 0.00 -0.31 0.00 0.00 39.34 37.30 1cxf n TYR 89 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1cxf n SER 90 N 5.27 -7.90 -0.02 7.72 7.64 -1.26 -3.74 113.62 121.32 1cxf n SER 90 Ca 0.42 0.69 -0.00 0.00 1.01 0.00 0.00 58.87 60.98 1cxf n SER 90 Cb 0.40 -5.26 -0.00 0.00 -1.01 0.00 0.00 64.21 58.34 1cxf n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cxf n GLY 91 N -0.09 0.26 2.82 0.23 0.00 -1.26 -4.98 105.19 102.16 1cxf n GLY 91 Ca 0.09 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 1cxf n GLY 91 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1cxf s VAL 92 N -1.50 0.22 -0.09 1.61 -7.23 -1.25 -5.13 120.40 107.03 1cxf s VAL 92 Ca 0.00 0.08 -0.23 0.00 -1.81 0.00 0.00 61.98 60.02 1cxf s VAL 92 Cb 0.00 -0.32 -0.03 0.00 0.56 0.00 0.00 36.38 36.59 1cxf s VAL 92 CO 0.00 0.16 0.69 0.20 -0.31 0.00 0.00 175.10 175.84 1cxf s ASN 93 N 1.11 6.94 -0.03 4.85 0.01 -1.26 0.41 114.94 126.97 1cxf s ASN 93 Ca -0.08 1.13 0.07 0.00 -0.71 0.00 0.00 52.86 53.27 1cxf s ASN 93 Cb -0.13 -2.40 -0.02 0.00 0.41 0.00 0.00 41.25 39.10 1cxf s ASN 93 CO -0.02 -0.14 -0.24 0.20 -1.51 0.00 0.00 177.10 175.40 1cxf s ASN 94 N 0.84 3.24 0.38 -1.22 0.01 0.15 -4.52 114.94 113.82 1cxf s ASN 94 Ca 0.36 -0.42 0.08 0.00 -0.71 0.00 0.00 52.86 52.17 1cxf s ASN 94 Cb -0.17 -0.49 -0.07 0.00 0.41 0.00 0.00 41.25 40.93 1cxf s ASN 94 CO 0.16 0.32 -0.02 0.42 -1.51 0.00 0.00 177.10 176.48 1cxf s THR 95 N -0.59 2.17 -0.32 1.60 -4.23 -0.31 -0.53 115.64 113.44 1cxf s THR 95 Ca 0.09 -2.05 0.04 0.00 -1.18 0.00 0.00 61.69 58.58 1cxf s THR 95 Cb -0.10 -2.85 0.41 0.00 1.34 0.00 0.00 72.50 71.30 1cxf s THR 95 CO -0.00 -0.09 1.48 0.00 -0.54 0.00 0.00 174.62 175.47 1cxf n ALA 96 N -0.92 4.14 0.21 3.99 0.00 -1.26 -4.54 120.51 122.13 1cxf n ALA 96 Ca -0.05 -1.60 0.09 0.00 0.00 0.00 0.00 53.44 51.88 1cxf n ALA 96 Cb 0.65 -1.23 0.46 0.00 0.00 0.00 0.00 19.45 19.33 1cxf n ALA 96 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1cxf h TYR 97 N 0.94 0.00 -0.51 0.00 -0.00 -1.91 0.19 116.97 115.69 1cxf h TYR 97 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.03 1cxf h TYR 97 Cb 1.97 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.70 1cxf h TYR 97 CO 0.89 0.00 0.00 -2.39 -0.00 0.00 0.00 178.16 176.66 1cxf n HIS 98 N -2.27 0.68 -1.78 0.10 1.44 -1.26 -4.46 115.22 107.67 1cxf n HIS 98 Ca -0.01 -0.34 -0.13 0.00 -2.01 0.00 0.00 57.72 55.23 1cxf n HIS 98 Cb 0.36 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.43 1cxf n HIS 98 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1cxf n GLY 99 N 1.42 0.58 0.00 -1.39 0.00 0.68 -4.66 105.19 101.82 1cxf n GLY 99 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1cxf n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cxf n TYR 100 N -2.46 0.00 -3.28 1.61 4.01 -1.26 -4.34 117.16 111.45 1cxf n TYR 100 Ca -0.14 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.14 1cxf n TYR 100 Cb 0.50 -0.05 -0.02 0.00 -0.31 0.00 0.00 39.34 39.46 1cxf n TYR 100 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1cxf s TRP 101 N -3.05 3.64 0.62 -0.72 0.51 -1.26 -4.79 118.94 113.90 1cxf s TRP 101 Ca 0.07 -1.85 -0.11 0.00 -2.12 0.00 0.00 56.10 52.08 1cxf s TRP 101 Cb 0.16 -3.88 -0.04 0.00 -0.81 0.00 0.00 33.47 28.90 1cxf s TRP 101 CO 0.87 -1.06 1.03 0.00 -0.51 0.00 0.00 176.95 177.29 1cxf s ALA 102 N 0.62 3.06 0.00 0.98 0.00 0.13 -2.27 121.76 124.28 1cxf s ALA 102 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1cxf s ALA 102 Cb -0.11 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1cxf s ALA 102 CO -0.08 -0.73 0.00 2.89 0.00 0.00 0.00 175.76 177.84 1cxf n ARG 103 N -2.75 0.38 -3.27 0.00 1.85 -0.03 -3.62 116.66 109.22 1cxf n ARG 103 Ca 0.06 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.87 1cxf n ARG 103 Cb 0.54 -0.39 -0.05 0.00 -1.05 0.00 0.00 32.46 31.51 1cxf n ARG 103 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1cxf s ASP 104 N -0.92 -0.34 0.00 2.89 -1.08 -1.03 0.21 116.67 116.41 1cxf s ASP 104 Ca 0.00 0.32 0.29 0.00 -0.52 0.00 0.00 52.55 52.64 1cxf s ASP 104 Cb 0.00 1.49 1.65 0.00 -1.46 0.00 0.00 42.92 44.59 1cxf s ASP 104 CO 0.00 -0.30 2.07 0.49 0.52 0.00 0.00 175.17 177.96 1cxf n PHE 105 N 5.39 0.01 0.33 -5.34 3.01 -1.26 -1.86 117.46 117.73 1cxf n PHE 105 Ca -0.02 -0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.55 1cxf n PHE 105 Cb 0.51 0.00 0.19 0.00 -0.01 0.00 0.00 39.48 40.17 1cxf n PHE 105 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1cxf n LYS 106 N -0.77 2.38 -4.25 -1.08 5.02 -1.26 -4.84 118.16 113.35 1cxf n LYS 106 Ca 0.22 -2.18 -0.14 0.00 -2.02 0.00 0.00 58.31 54.19 1cxf n LYS 106 Cb 0.14 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 33.58 1cxf n LYS 106 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1cxf s LYS 107 N -1.45 1.19 0.66 1.97 1.02 -1.21 -4.84 119.74 117.08 1cxf s LYS 107 Ca 0.35 -1.60 0.02 0.00 0.02 0.00 0.00 55.97 54.76 1cxf s LYS 107 Cb 0.21 -0.18 0.10 0.00 -0.52 0.00 0.00 37.83 37.45 1cxf s LYS 107 CO 0.29 -0.21 0.91 0.95 -0.92 0.00 0.00 175.35 176.36 1cxf s THR 108 N -3.76 2.23 -0.43 2.17 -4.23 -1.26 -1.20 115.64 109.15 1cxf s THR 108 Ca 0.29 -0.71 -0.18 0.00 -1.18 0.00 0.00 61.69 59.91 1cxf s THR 108 Cb 0.07 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.42 1cxf s THR 108 CO 0.07 0.00 0.51 0.21 -0.54 0.00 0.00 174.62 174.87 1cxf s ASN 109 N -4.67 6.24 0.44 3.99 3.84 -0.48 -3.62 114.94 120.68 1cxf s ASN 109 Ca 0.64 -0.58 0.29 0.00 0.21 0.00 0.00 52.86 53.42 1cxf s ASN 109 Cb -0.06 -2.26 1.37 0.00 -0.55 0.00 0.00 41.25 39.75 1cxf s ASN 109 CO 0.42 -0.66 1.67 -0.65 -2.79 0.00 0.00 177.10 175.09 1cxf h PRO 110 N 8.79 0.15 -0.63 0.43 0.11 -1.92 0.52 132.00 139.44 1cxf h PRO 110 Ca -0.26 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1cxf h PRO 110 Cb 1.10 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1cxf h PRO 110 CO 0.83 0.10 0.34 0.00 -0.21 0.00 0.00 178.00 179.06 1cxf h ALA 111 N 1.56 0.80 0.03 -0.75 0.00 -1.92 -2.97 119.26 116.02 1cxf h ALA 111 Ca 0.75 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.41 1cxf h ALA 111 Cb 2.35 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 19.90 1cxf h ALA 111 CO -0.34 0.32 -0.58 1.88 0.00 0.00 0.00 179.25 180.53 1cxf h TYR 112 N 0.85 0.52 0.00 0.00 0.05 -0.39 -3.43 116.97 114.58 1cxf h TYR 112 Ca 0.22 -0.31 0.00 0.00 0.05 0.00 0.00 58.73 58.69 1cxf h TYR 112 Cb 0.05 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1cxf h TYR 112 CO -0.01 1.15 0.00 0.41 -1.05 0.00 0.00 178.16 178.66 1cxf n GLY 113 N 1.22 -0.96 3.89 3.88 0.00 0.62 -2.14 105.19 111.70 1cxf n GLY 113 Ca -0.11 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 1cxf n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cxf s THR 114 N -2.97 1.48 0.19 2.61 -4.23 -1.26 -3.67 115.64 107.78 1cxf s THR 114 Ca 0.00 -1.58 -0.13 0.00 -1.18 0.00 0.00 61.69 58.81 1cxf s THR 114 Cb 0.00 -2.06 0.10 0.00 1.34 0.00 0.00 72.50 71.88 1cxf s THR 114 CO 0.00 0.00 1.85 0.40 -0.54 0.00 0.00 174.62 176.33 1cxf h ILE 115 N 0.80 1.13 -0.63 2.99 1.08 -1.98 0.14 117.51 121.04 1cxf h ILE 115 Ca -0.38 -0.27 0.10 0.00 -0.39 0.00 0.00 64.86 63.93 1cxf h ILE 115 Cb 1.31 0.27 -0.08 0.00 -3.07 0.00 0.00 36.82 35.26 1cxf h ILE 115 CO 0.59 0.14 0.23 0.00 -0.69 0.00 0.00 178.15 178.42 1cxf h ALA 116 N 1.23 0.81 -0.06 1.87 0.00 -1.98 0.46 119.26 121.59 1cxf h ALA 116 Ca 0.23 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1cxf h ALA 116 Cb -0.06 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1cxf h ALA 116 CO -0.06 -0.20 0.03 -0.44 0.00 0.00 0.00 179.25 178.57 1cxf h ASP 117 N 0.40 0.08 -0.48 0.00 3.32 -1.73 -1.15 116.42 116.86 1cxf h ASP 117 Ca 0.32 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.29 1cxf h ASP 117 Cb 0.41 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 1cxf h ASP 117 CO -0.33 0.20 0.18 0.15 -1.72 0.00 0.00 179.24 177.72 1cxf h PHE 118 N -0.04 0.32 -0.82 4.55 3.57 0.78 0.28 116.94 125.56 1cxf h PHE 118 Ca 0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1cxf h PHE 118 Cb 0.14 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 1cxf h PHE 118 CO -0.03 0.11 0.53 1.96 -2.23 0.00 0.00 178.31 178.65 1cxf h GLN 119 N 0.36 1.10 -0.64 1.11 4.20 -0.01 0.23 115.11 121.45 1cxf h GLN 119 Ca 0.23 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 1cxf h GLN 119 Cb 0.23 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1cxf h GLN 119 CO -0.23 0.74 0.23 -0.91 -0.67 0.00 0.00 178.83 177.99 1cxf h ASN 120 N 1.12 0.88 0.42 1.46 -0.26 -0.28 -0.56 115.58 118.36 1cxf h ASN 120 Ca 0.30 -0.14 -0.02 0.00 -0.56 0.00 0.00 56.30 55.88 1cxf h ASN 120 Cb -0.10 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 36.94 1cxf h ASN 120 CO -0.06 0.81 -0.20 0.25 -1.06 0.00 0.00 177.43 177.17 1cxf h LEU 121 N 0.93 -0.48 -0.76 1.61 5.85 0.91 0.73 115.31 124.11 1cxf h LEU 121 Ca 0.21 0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.04 1cxf h LEU 121 Cb 0.23 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 1cxf h LEU 121 CO -0.01 -0.32 0.38 0.40 -0.34 0.00 0.00 178.44 178.55 1cxf h ILE 122 N -0.59 0.82 0.90 4.05 1.08 -0.82 0.65 117.51 123.60 1cxf h ILE 122 Ca -0.06 -0.21 -0.04 0.00 -0.39 0.00 0.00 64.86 64.15 1cxf h ILE 122 Cb 0.45 0.14 0.01 0.00 -3.07 0.00 0.00 36.82 34.35 1cxf h ILE 122 CO 0.09 0.11 -0.43 0.00 -0.69 0.00 0.00 178.15 177.24 1cxf h ALA 123 N 1.46 -1.21 -0.61 1.87 0.00 -0.73 -0.17 119.26 119.87 1cxf h ALA 123 Ca 0.38 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1cxf h ALA 123 Cb 0.43 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 1cxf h ALA 123 CO -0.29 -1.16 0.04 0.00 0.00 0.00 0.00 179.25 177.84 1cxf h ALA 124 N -1.17 0.64 0.64 0.00 0.00 -0.60 -1.19 119.26 117.59 1cxf h ALA 124 Ca -0.12 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1cxf h ALA 124 Cb 0.93 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1cxf h ALA 124 CO 0.20 -0.37 -0.36 0.00 0.00 0.00 0.00 179.25 178.72 1cxf h ALA 125 N 1.54 -1.21 -0.90 0.00 0.00 -0.69 -2.92 119.26 115.08 1cxf h ALA 125 Ca 0.32 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 55.24 1cxf h ALA 125 Cb 0.51 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1cxf h ALA 125 CO -0.49 -1.16 0.60 0.45 0.00 0.00 0.00 179.25 178.65 1cxf h HIS 126 N -0.93 0.50 0.00 0.00 3.86 -0.74 0.14 115.15 117.99 1cxf h HIS 126 Ca -0.09 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 1cxf h HIS 126 Cb 0.73 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 1cxf h HIS 126 CO -0.01 0.13 -0.04 0.00 0.86 0.00 0.00 177.93 178.87 1cxf h ALA 127 N 1.61 1.03 -0.37 2.45 0.00 -1.04 -1.94 119.26 120.99 1cxf h ALA 127 Ca 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1cxf h ALA 127 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1cxf h ALA 127 CO -0.17 0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.76 1cxf n LYS 128 N -3.18 3.16 -1.44 0.00 4.76 0.45 -4.96 118.16 116.95 1cxf n LYS 128 Ca -0.00 -2.62 -0.13 0.00 -2.87 0.00 0.00 58.31 52.69 1cxf n LYS 128 Cb 0.27 -1.69 -0.05 0.00 -1.84 0.00 0.00 35.03 31.72 1cxf n LYS 128 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1cxf n ASN 129 N 0.17 -4.55 -4.61 4.39 3.02 -0.73 -5.00 115.26 107.94 1cxf n ASN 129 Ca 0.19 0.30 -0.37 0.00 -0.03 0.00 0.00 54.58 54.68 1cxf n ASN 129 Cb 0.76 -3.25 -0.10 0.00 -0.61 0.00 0.00 39.78 36.58 1cxf n ASN 129 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1cxf s ILE 130 N -2.50 5.24 0.68 2.41 1.01 -0.87 -4.68 121.20 122.49 1cxf s ILE 130 Ca 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.68 1cxf s ILE 130 Cb 0.00 -3.47 -0.00 0.00 0.01 0.00 0.00 42.46 39.00 1cxf s ILE 130 CO 0.00 0.31 1.06 -0.54 0.00 0.00 0.00 174.94 175.76 1cxf s LYS 131 N 1.37 3.06 -0.14 2.79 1.02 -0.42 -3.44 119.74 123.99 1cxf s LYS 131 Ca 0.07 0.85 0.02 0.00 0.02 0.00 0.00 55.97 56.93 1cxf s LYS 131 Cb -0.15 -2.01 0.01 0.00 -0.52 0.00 0.00 37.83 35.17 1cxf s LYS 131 CO 0.07 -0.99 -0.19 0.08 -0.92 0.00 0.00 175.35 173.40 1cxf s VAL 132 N -3.11 1.87 -0.07 3.17 1.01 -1.26 -1.12 120.40 120.90 1cxf s VAL 132 Ca 0.57 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1cxf s VAL 132 Cb -0.13 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1cxf s VAL 132 CO 0.55 0.51 -0.23 -0.63 0.00 0.00 0.00 175.10 175.30 1cxf s ILE 133 N 0.96 2.21 -0.02 2.22 1.01 0.31 -0.34 121.20 127.56 1cxf s ILE 133 Ca -0.05 -1.00 0.05 0.00 0.00 0.00 0.00 60.65 59.65 1cxf s ILE 133 Cb -0.15 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1cxf s ILE 133 CO -0.04 0.57 -0.16 0.27 0.00 0.00 0.00 174.94 175.58 1cxf s ILE 134 N -0.10 2.89 0.66 2.92 -4.36 -1.15 -0.74 121.20 121.32 1cxf s ILE 134 Ca -0.05 -0.90 -0.16 0.00 -0.26 0.00 0.00 60.65 59.29 1cxf s ILE 134 Cb -0.14 -2.14 0.00 0.00 1.25 0.00 0.00 42.46 41.43 1cxf s ILE 134 CO 0.04 0.51 1.15 -0.62 0.24 0.00 0.00 174.94 176.26 1cxf s ASP 135 N -0.93 4.91 -0.16 4.36 -1.08 -0.27 -1.69 116.67 121.80 1cxf s ASP 135 Ca 0.12 2.15 -0.07 0.00 -0.52 0.00 0.00 52.55 54.23 1cxf s ASP 135 Cb -0.11 -2.57 0.07 0.00 -1.46 0.00 0.00 42.92 38.86 1cxf s ASP 135 CO 0.02 -1.77 0.36 0.12 0.52 0.00 0.00 175.17 174.41 1cxf s PHE 136 N -2.13 -0.60 -0.60 -5.34 5.36 -0.73 -4.19 117.98 109.74 1cxf s PHE 136 Ca 0.70 1.24 0.06 0.00 -0.96 0.00 0.00 56.93 57.97 1cxf s PHE 136 Cb -0.24 0.17 0.29 0.00 -0.34 0.00 0.00 43.02 42.90 1cxf s PHE 136 CO 0.40 -0.39 0.82 0.00 -1.46 0.00 0.00 175.22 174.60 1cxf n ALA 137 N 5.00 4.22 0.71 11.12 0.00 -1.26 0.25 120.51 140.56 1cxf n ALA 137 Ca -0.13 -4.68 0.02 0.00 0.00 0.00 0.00 53.44 48.65 1cxf n ALA 137 Cb 0.51 -0.83 0.11 0.00 0.00 0.00 0.00 19.45 19.24 1cxf n ALA 137 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1cxf n PRO 138 N 0.41 0.36 -0.02 0.00 -0.02 -1.26 -3.63 135.00 130.83 1cxf n PRO 138 Ca 0.30 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.66 1cxf n PRO 138 Cb 0.41 -1.16 -0.10 0.00 -0.02 0.00 0.00 33.50 32.63 1cxf n PRO 138 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1cxf h ASN 139 N 0.00 -0.05 -1.87 2.55 -1.24 -1.91 -3.45 115.58 109.61 1cxf h ASN 139 Ca 0.00 -0.61 0.00 0.00 0.71 0.00 0.00 56.30 56.40 1cxf h ASN 139 Cb 0.00 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.06 1cxf h ASN 139 CO 0.00 0.63 0.00 0.00 -1.29 0.00 0.00 177.43 176.77 1cxf n HIS 140 N -4.79 0.00 0.00 0.67 1.44 -1.24 -0.57 115.22 110.74 1cxf n HIS 140 Ca -0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.62 1cxf n HIS 140 Cb 0.32 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.43 1cxf n HIS 140 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1cxf n THR 141 N 0.00 0.00 -4.16 0.61 -2.24 -0.67 -4.69 114.28 103.14 1cxf n THR 141 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1cxf n THR 141 Cb 0.00 -0.21 -0.07 0.00 -2.10 0.00 0.00 70.33 67.95 1cxf n THR 141 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1cxf s SER 142 N 0.67 0.81 0.43 3.42 1.04 -1.24 0.22 113.70 119.06 1cxf s SER 142 Ca 0.00 -1.47 -0.26 0.00 0.48 0.00 0.00 55.95 54.71 1cxf s SER 142 Cb 0.00 0.56 -0.09 0.00 0.10 0.00 0.00 66.02 66.59 1cxf s SER 142 CO 0.00 -1.11 1.45 -2.65 0.98 0.00 0.00 173.24 171.91 1cxf n PRO 143 N -0.49 2.35 -3.66 4.02 -0.02 -1.26 -1.11 135.00 134.83 1cxf n PRO 143 Ca 0.03 0.83 -0.10 0.00 -2.02 0.00 0.00 63.50 62.24 1cxf n PRO 143 Cb 0.63 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 1cxf n PRO 143 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cxf s ALA 144 N -1.17 -0.89 -0.06 3.55 0.00 -0.76 -2.91 121.76 119.51 1cxf s ALA 144 Ca 0.59 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.43 1cxf s ALA 144 Cb -0.46 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.42 1cxf s ALA 144 CO 0.59 -0.67 0.02 0.45 0.00 0.00 0.00 175.76 176.15 1cxf s SER 145 N -2.82 1.38 0.17 0.00 0.15 -1.26 -4.87 113.70 106.45 1cxf s SER 145 Ca 0.04 -0.04 -0.13 0.00 0.70 0.00 0.00 55.95 56.52 1cxf s SER 145 Cb 0.01 -0.35 0.07 0.00 -1.71 0.00 0.00 66.02 64.04 1cxf s SER 145 CO -0.10 -0.20 1.77 -1.28 1.20 0.00 0.00 173.24 174.63 1cxf h SER 146 N 8.26 0.72 0.21 5.45 0.87 -1.97 -3.21 113.55 123.88 1cxf h SER 146 Ca -0.20 -0.11 -0.32 0.00 -1.23 0.00 0.00 61.79 59.94 1cxf h SER 146 Cb 1.12 -0.18 0.03 0.00 -0.44 0.00 0.00 62.40 62.93 1cxf h SER 146 CO 0.25 0.62 -1.46 0.44 -0.53 0.00 0.00 176.83 176.15 1cxf h ASP 147 N 0.76 0.71 -3.21 6.23 5.19 -1.96 -3.41 116.42 120.74 1cxf h ASP 147 Ca 0.20 -0.93 -0.80 0.00 -0.62 0.00 0.00 57.03 54.88 1cxf h ASP 147 Cb 0.07 -0.23 -0.28 0.00 0.18 0.00 0.00 39.33 39.07 1cxf h ASP 147 CO -0.03 1.69 0.62 0.00 -3.12 0.00 0.00 179.24 178.40 1cxf n GLN 148 N -3.76 4.03 0.12 3.56 1.13 -1.22 -4.86 117.38 116.39 1cxf n GLN 148 Ca -0.19 -4.51 0.10 0.00 -1.94 0.00 0.00 57.00 50.45 1cxf n GLN 148 Cb 1.05 -2.53 0.48 0.00 0.11 0.00 0.00 30.24 29.35 1cxf n GLN 148 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1cxf n PRO 149 N 1.94 0.13 0.14 -1.09 -0.05 -1.22 -0.80 135.00 134.06 1cxf n PRO 149 Ca 0.25 0.53 0.13 0.00 -0.05 0.00 0.00 63.50 64.35 1cxf n PRO 149 Cb 0.36 -1.85 0.49 0.00 -0.05 0.00 0.00 33.50 32.44 1cxf n PRO 149 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 1cxf h SER 150 N 0.00 0.00 -2.96 3.54 4.64 -1.89 -3.38 113.55 113.51 1cxf h SER 150 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1cxf h SER 150 Cb 0.14 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 1cxf h SER 150 CO 0.00 0.00 0.96 0.12 -0.87 0.00 0.00 176.83 177.04 1cxf s PHE 151 N -3.31 2.66 0.00 4.77 5.36 0.02 -4.82 117.98 122.66 1cxf s PHE 151 Ca 0.05 0.86 0.00 0.00 -0.96 0.00 0.00 56.93 56.88 1cxf s PHE 151 Cb 0.10 -3.72 0.00 0.00 -0.34 0.00 0.00 43.02 39.06 1cxf s PHE 151 CO 0.45 -1.97 0.00 0.00 -1.46 0.00 0.00 175.22 172.24 1cxf n ALA 152 N 7.19 0.00 -0.69 11.12 0.00 -1.26 -2.08 120.51 134.79 1cxf n ALA 152 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.59 1cxf n ALA 152 Cb 0.45 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.21 1cxf n ALA 152 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cxf n GLU 153 N 3.66 3.85 -2.30 0.00 1.02 -1.26 -4.89 120.64 120.72 1cxf n GLU 153 Ca 0.00 -2.68 -0.18 0.00 -0.02 0.00 0.00 57.16 54.28 1cxf n GLU 153 Cb 0.00 -2.13 -0.02 0.00 -0.02 0.00 0.00 31.44 29.27 1cxf n GLU 153 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1cxf n ASN 154 N 0.21 -5.15 -3.13 1.62 4.05 -0.88 -1.57 115.26 110.41 1cxf n ASN 154 Ca 0.30 0.11 -0.22 0.00 0.45 0.00 0.00 54.58 55.22 1cxf n ASN 154 Cb 1.17 -4.35 0.01 0.00 1.23 0.00 0.00 39.78 37.84 1cxf n ASN 154 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1cxf n GLY 155 N -0.86 -0.50 3.71 8.20 0.00 -1.15 -0.68 105.19 113.91 1cxf n GLY 155 Ca -0.21 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1cxf n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cxf s ARG 156 N -5.78 4.28 -0.17 1.61 0.52 -0.61 -4.20 118.95 114.60 1cxf s ARG 156 Ca 0.32 2.16 -0.13 0.00 -0.52 0.00 0.00 55.73 57.56 1cxf s ARG 156 Cb -0.16 -3.29 -0.05 0.00 0.52 0.00 0.00 34.95 31.97 1cxf s ARG 156 CO 0.39 -0.53 0.24 -1.17 0.02 0.00 0.00 175.30 174.26 1cxf s LEU 157 N 1.41 4.24 -0.02 2.53 2.96 0.16 -4.56 118.68 125.39 1cxf s LEU 157 Ca 0.67 0.43 0.06 0.00 -0.22 0.00 0.00 54.13 55.07 1cxf s LEU 157 Cb -0.38 -2.29 -0.01 0.00 0.50 0.00 0.00 46.19 44.01 1cxf s LEU 157 CO 0.30 0.13 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.95 1cxf s TYR 158 N 0.39 1.89 -0.68 5.38 1.51 0.13 0.24 117.35 126.22 1cxf s TYR 158 Ca 0.14 -0.41 -0.09 0.00 -1.01 0.00 0.00 57.07 55.70 1cxf s TYR 158 Cb -0.12 -1.23 0.18 0.00 -0.11 0.00 0.00 41.96 40.67 1cxf s TYR 158 CO 0.02 -0.07 0.56 0.34 -1.11 0.00 0.00 175.55 175.29 1cxf s ASP 159 N -0.37 6.00 -1.38 2.29 2.15 0.15 -4.27 116.67 121.25 1cxf s ASP 159 Ca 0.05 -2.56 -0.02 0.00 0.43 0.00 0.00 52.55 50.45 1cxf s ASP 159 Cb -0.09 -2.05 0.01 0.00 -0.30 0.00 0.00 42.92 40.49 1cxf s ASP 159 CO 0.00 -0.54 0.60 -3.20 -0.17 0.00 0.00 175.17 171.87 1cxf n ASN 160 N 4.03 -1.17 0.00 -0.34 5.15 -1.26 -2.23 115.26 119.45 1cxf n ASN 160 Ca 0.06 -0.90 0.00 0.00 -0.60 0.00 0.00 54.58 53.14 1cxf n ASN 160 Cb 0.42 -3.56 0.00 0.00 -0.53 0.00 0.00 39.78 36.11 1cxf n ASN 160 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cxf n GLY 161 N -1.75 2.76 3.71 8.20 0.00 -1.26 -5.05 105.19 111.80 1cxf n GLY 161 Ca -0.26 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 1cxf n GLY 161 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cxf s THR 162 N -2.01 4.92 0.08 2.61 2.01 -0.95 -5.00 115.64 117.30 1cxf s THR 162 Ca 0.00 1.84 -0.31 0.00 0.31 0.00 0.00 61.69 63.53 1cxf s THR 162 Cb 0.00 -4.22 -0.08 0.00 0.01 0.00 0.00 72.50 68.21 1cxf s THR 162 CO 0.00 0.17 1.60 -0.22 -0.69 0.00 0.00 174.62 175.48 1cxf s LEU 163 N 1.07 4.36 -0.09 4.42 0.20 -1.26 0.34 118.68 127.71 1cxf s LEU 163 Ca 0.46 2.46 -0.12 0.00 0.69 0.00 0.00 54.13 57.63 1cxf s LEU 163 Cb -0.20 -3.57 -0.28 0.00 -0.43 0.00 0.00 46.19 41.71 1cxf s LEU 163 CO 0.23 -0.85 0.54 -0.07 -0.29 0.00 0.00 176.35 175.92 1cxf h LEU 164 N 8.17 0.48 0.00 -0.68 3.38 -0.55 -3.46 115.31 122.65 1cxf h LEU 164 Ca -0.42 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 56.64 1cxf h LEU 164 Cb 1.20 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1cxf h LEU 164 CO 0.92 1.75 0.00 0.61 0.09 0.00 0.00 178.44 181.81 1cxf n GLY 165 N 1.84 0.10 3.36 0.83 0.00 -1.08 -5.02 105.19 105.22 1cxf n GLY 165 Ca -0.27 -1.21 -0.19 0.00 0.00 0.00 0.00 46.02 44.34 1cxf n GLY 165 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cxf s GLY 166 N 0.00 2.09 0.20 -0.02 0.00 -1.26 0.36 107.32 108.68 1cxf s GLY 166 Ca 0.00 -1.73 -0.11 0.00 0.00 0.00 0.00 44.72 42.88 1cxf s GLY 166 CO 0.00 -1.63 1.81 -1.82 0.00 0.00 0.00 173.10 171.46 1cxf h TYR 167 N 2.17 0.63 -4.20 1.90 3.20 -1.07 -3.37 116.97 116.23 1cxf h TYR 167 Ca -0.35 0.02 -0.48 0.00 3.14 0.00 0.00 58.73 61.07 1cxf h TYR 167 Cb 1.25 -0.20 0.03 0.00 1.54 0.00 0.00 36.73 39.36 1cxf h TYR 167 CO 0.99 0.33 0.38 0.99 -1.64 0.00 0.00 178.16 179.21 1cxf s THR 168 N -6.12 4.33 -1.56 1.81 2.01 -1.26 -3.77 115.64 111.08 1cxf s THR 168 Ca -0.13 1.10 -0.08 0.00 0.31 0.00 0.00 61.69 62.89 1cxf s THR 168 Cb 0.15 -3.63 0.07 0.00 0.01 0.00 0.00 72.50 69.10 1cxf s THR 168 CO 0.75 -0.66 0.52 0.59 -0.69 0.00 0.00 174.62 175.13 1cxf n ASN 169 N -1.77 -1.39 -3.94 3.53 3.02 -1.26 -4.82 115.26 108.62 1cxf n ASN 169 Ca 0.07 -1.05 -0.42 0.00 -0.03 0.00 0.00 54.58 53.15 1cxf n ASN 169 Cb 0.54 -2.70 0.00 0.00 -0.61 0.00 0.00 39.78 37.00 1cxf n ASN 169 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1cxf n ASP 170 N -2.83 4.32 -0.11 6.41 2.03 -1.25 -4.74 116.55 120.39 1cxf n ASP 170 Ca -0.15 -2.90 -0.07 0.00 0.52 0.00 0.00 54.79 52.19 1cxf n ASP 170 Cb 0.60 -1.65 0.10 0.00 -0.72 0.00 0.00 41.12 39.46 1cxf n ASP 170 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1cxf h THR 171 N 4.28 1.26 0.00 5.18 1.35 -1.91 -2.26 112.91 120.82 1cxf h THR 171 Ca 0.51 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1cxf h THR 171 Cb 0.69 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1cxf h THR 171 CO 1.74 0.42 0.00 1.56 -0.25 0.00 0.00 175.52 178.99 1cxf h GLN 172 N 0.73 0.00 -4.12 4.72 4.20 -1.98 -3.46 115.11 115.21 1cxf h GLN 172 Ca 0.12 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.65 1cxf h GLN 172 Cb 0.64 0.00 0.10 0.00 0.30 0.00 0.00 27.48 28.52 1cxf h GLN 172 CO 0.04 0.00 -0.44 -1.71 -0.67 0.00 0.00 178.83 176.05 1cxf n ASN 173 N -3.01 -2.45 0.15 1.46 5.15 -0.85 -4.89 115.26 110.83 1cxf n ASN 173 Ca 0.00 -0.36 0.13 0.00 -0.60 0.00 0.00 54.58 53.76 1cxf n ASN 173 Cb 0.28 -3.13 0.37 0.00 -0.53 0.00 0.00 39.78 36.78 1cxf n ASN 173 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1cxf h LEU 174 N -1.00 0.00 -9.32 1.20 3.38 -1.90 -3.44 115.31 104.23 1cxf h LEU 174 Ca -0.34 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.07 1cxf h LEU 174 Cb 1.19 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.80 1cxf h LEU 174 CO 0.28 0.00 -0.67 -0.36 0.09 0.00 0.00 178.44 177.78 1cxf s PHE 175 N -3.19 2.21 0.15 1.13 0.08 -1.26 -0.84 117.98 116.26 1cxf s PHE 175 Ca 0.08 -0.61 -0.04 0.00 0.12 0.00 0.00 56.93 56.49 1cxf s PHE 175 Cb 0.10 -1.30 -0.05 0.00 -0.57 0.00 0.00 43.02 41.20 1cxf s PHE 175 CO 0.59 0.43 0.37 -1.01 -0.10 0.00 0.00 175.22 175.50 1cxf s HIS 176 N -2.81 3.48 -0.37 0.36 3.76 -0.10 -4.71 115.29 114.90 1cxf s HIS 176 Ca 0.32 0.49 0.13 0.00 -0.15 0.00 0.00 55.06 55.85 1cxf s HIS 176 Cb 0.04 -1.96 0.42 0.00 1.11 0.00 0.00 32.58 32.19 1cxf s HIS 176 CO 0.15 0.43 0.94 0.72 -0.85 0.00 0.00 174.74 176.13 1cxf n HIS 177 N -0.08 1.64 -0.84 1.40 -0.00 -1.26 -4.63 115.22 111.46 1cxf n HIS 177 Ca -0.03 -3.12 0.08 0.00 -0.00 0.00 0.00 57.72 54.65 1cxf n HIS 177 Cb 0.52 -0.33 0.31 0.00 -0.00 0.00 0.00 29.99 30.49 1cxf n HIS 177 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1cxf n ASN 178 N -0.10 4.54 0.00 0.41 3.02 -1.26 -5.08 115.26 116.78 1cxf n ASN 178 Ca 0.20 -2.81 0.00 0.00 -0.03 0.00 0.00 54.58 51.93 1cxf n ASN 178 Cb 0.73 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1cxf n ASN 178 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cxf n GLY 179 N 0.20 -1.49 3.78 7.41 0.00 -1.26 -4.80 105.19 109.03 1cxf n GLY 179 Ca 0.23 -1.42 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 1cxf n GLY 179 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cxf s GLY 180 N 0.00 1.51 0.37 -0.02 0.00 -1.26 0.09 107.32 108.02 1cxf s GLY 180 Ca 0.00 -1.43 -0.11 0.00 0.00 0.00 0.00 44.72 43.18 1cxf s GLY 180 CO 0.00 -1.47 0.74 -1.08 0.00 0.00 0.00 173.10 171.29 1cxf s THR 181 N -2.09 4.78 -1.12 0.90 -1.32 -1.01 -4.71 115.64 111.06 1cxf s THR 181 Ca 0.32 0.67 0.10 0.00 -1.21 0.00 0.00 61.69 61.57 1cxf s THR 181 Cb -0.08 -3.69 0.12 0.00 -1.51 0.00 0.00 72.50 67.34 1cxf s THR 181 CO 0.23 -0.40 0.90 -0.90 -2.21 0.00 0.00 174.62 172.25 1cxf n ASP 182 N -0.97 2.04 -0.43 8.08 5.68 -1.26 -4.84 116.55 124.85 1cxf n ASP 182 Ca 0.02 -1.54 -0.06 0.00 -0.50 0.00 0.00 54.79 52.72 1cxf n ASP 182 Cb 0.54 -0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 40.45 1cxf n ASP 182 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1cxf n PHE 183 N 0.51 0.00 -0.22 2.11 3.01 -1.26 -4.87 117.46 116.74 1cxf n PHE 183 Ca 0.07 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.45 1cxf n PHE 183 Cb 0.28 -1.94 0.03 0.00 -0.01 0.00 0.00 39.48 37.84 1cxf n PHE 183 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1cxf h SER 184 N 0.00 0.89 -4.26 4.37 4.64 -1.96 -3.45 113.55 113.78 1cxf h SER 184 Ca -0.11 -0.21 -0.29 0.00 -0.47 0.00 0.00 61.79 60.70 1cxf h SER 184 Cb 0.85 -0.23 -0.15 0.00 -0.31 0.00 0.00 62.40 62.56 1cxf h SER 184 CO 0.17 0.86 -0.69 0.42 -0.87 0.00 0.00 176.83 176.72 1cxf s THR 185 N -5.40 0.92 0.32 2.95 -4.23 -1.26 -5.04 115.64 103.89 1cxf s THR 185 Ca -0.13 -2.01 0.06 0.00 -1.18 0.00 0.00 61.69 58.43 1cxf s THR 185 Cb 0.13 -1.90 0.09 0.00 1.34 0.00 0.00 72.50 72.17 1cxf s THR 185 CO 0.81 -0.69 1.78 0.74 -0.54 0.00 0.00 174.62 176.72 1cxf h THR 186 N 2.79 1.25 0.00 3.99 2.02 -1.96 -2.35 112.91 118.65 1cxf h THR 186 Ca -0.36 -1.15 -0.16 0.00 0.77 0.00 0.00 66.41 65.50 1cxf h THR 186 Cb 1.19 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 1cxf h THR 186 CO 0.64 0.36 -0.76 -0.08 0.37 0.00 0.00 175.52 176.05 1cxf h GLU 187 N 0.32 0.00 0.19 6.66 4.81 -1.97 -3.10 114.58 121.49 1cxf h GLU 187 Ca 0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1cxf h GLU 187 Cb 0.59 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1cxf h GLU 187 CO 0.04 0.76 -0.09 -0.97 -0.73 0.00 0.00 179.01 178.02 1cxf h ASN 188 N 0.00 -0.21 0.00 1.04 -0.73 -1.87 -2.23 115.58 111.57 1cxf h ASN 188 Ca -0.01 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1cxf h ASN 188 Cb 1.41 0.06 0.00 0.00 0.27 0.00 0.00 38.32 40.06 1cxf h ASN 188 CO 0.10 -0.11 0.00 0.61 -0.37 0.00 0.00 177.43 177.66 1cxf n GLY 189 N -1.06 -0.71 0.22 1.57 0.00 -0.92 -2.68 105.19 101.61 1cxf n GLY 189 Ca -0.09 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 1cxf n GLY 189 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1cxf n ILE 190 N -0.98 1.37 0.70 -0.61 5.41 -1.00 -4.43 119.36 119.82 1cxf n ILE 190 Ca 0.16 -0.36 0.07 0.00 1.00 0.00 0.00 62.75 63.62 1cxf n ILE 190 Cb 0.07 -1.82 0.18 0.00 -0.71 0.00 0.00 39.64 37.37 1cxf n ILE 190 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1cxf n TYR 191 N -4.08 0.55 -4.41 1.39 4.01 -0.87 -4.69 117.16 109.05 1cxf n TYR 191 Ca -0.49 -0.27 -0.24 0.00 -0.16 0.00 0.00 57.90 56.74 1cxf n TYR 191 Cb 0.85 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.78 1cxf n TYR 191 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1cxf s LYS 192 N -1.45 1.51 0.09 -0.72 1.02 -1.09 -4.41 119.74 114.68 1cxf s LYS 192 Ca 0.27 -1.61 -0.31 0.00 0.02 0.00 0.00 55.97 54.35 1cxf s LYS 192 Cb 0.14 -1.61 -0.07 0.00 -0.52 0.00 0.00 37.83 35.77 1cxf s LYS 192 CO 0.19 0.32 1.33 -0.80 -0.92 0.00 0.00 175.35 175.46 1cxf s ASN 193 N -3.10 6.90 -0.17 2.83 0.01 0.11 -4.57 114.94 116.95 1cxf s ASN 193 Ca 0.24 2.21 -0.29 0.00 -0.71 0.00 0.00 52.86 54.31 1cxf s ASN 193 Cb -0.05 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 1cxf s ASN 193 CO 0.11 -0.60 1.72 -0.76 -1.51 0.00 0.00 177.10 176.06 1cxf s LEU 194 N 1.22 3.95 0.00 0.60 1.43 -1.26 -2.41 118.68 122.21 1cxf s LEU 194 Ca 0.63 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 1cxf s LEU 194 Cb -0.34 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.35 1cxf s LEU 194 CO 0.30 -1.27 0.00 -1.22 0.23 0.00 0.00 176.35 174.38 1cxf n TYR 195 N 8.56 0.00 -0.50 0.29 4.01 -1.26 -1.57 117.16 126.68 1cxf n TYR 195 Ca 0.20 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 58.01 1cxf n TYR 195 Cb 0.44 0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.71 1cxf n TYR 195 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1cxf n ASP 196 N 4.28 3.61 -4.68 7.72 5.68 -1.26 -4.74 116.55 127.16 1cxf n ASP 196 Ca 0.00 -2.37 -0.43 0.00 -0.50 0.00 0.00 54.79 51.49 1cxf n ASP 196 Cb 0.00 -0.40 -0.02 0.00 -1.14 0.00 0.00 41.12 39.56 1cxf n ASP 196 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1cxf s LEU 197 N -1.68 4.21 -0.35 -2.12 1.43 -0.61 -1.84 118.68 117.73 1cxf s LEU 197 Ca 0.35 1.59 -0.37 0.00 -1.03 0.00 0.00 54.13 54.67 1cxf s LEU 197 Cb 0.23 -3.55 -0.13 0.00 0.03 0.00 0.00 46.19 42.77 1cxf s LEU 197 CO 0.16 -0.58 2.11 0.00 0.23 0.00 0.00 176.35 178.27 1cxf n ALA 198 N 5.59 0.79 -2.59 4.21 0.00 -0.27 -4.12 120.51 124.13 1cxf n ALA 198 Ca 0.11 0.05 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 1cxf n ALA 198 Cb 0.47 -2.44 -0.02 0.00 0.00 0.00 0.00 19.45 17.46 1cxf n ALA 198 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1cxf s ASP 199 N 6.50 6.82 0.48 0.00 2.15 -1.26 -1.68 116.67 129.68 1cxf s ASP 199 Ca 1.09 0.95 -0.23 0.00 0.43 0.00 0.00 52.55 54.79 1cxf s ASP 199 Cb -0.96 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 39.05 1cxf s ASP 199 CO 0.54 -1.00 1.27 -0.76 -0.17 0.00 0.00 175.17 175.05 1cxf s LEU 200 N 3.97 4.00 -0.63 -1.34 1.43 0.27 -0.93 118.68 125.45 1cxf s LEU 200 Ca 0.48 2.56 -0.08 0.00 -1.03 0.00 0.00 54.13 56.06 1cxf s LEU 200 Cb -0.12 -4.17 0.16 0.00 0.03 0.00 0.00 46.19 42.09 1cxf s LEU 200 CO 0.20 -1.15 0.50 0.21 0.23 0.00 0.00 176.35 176.34 1cxf s ASN 201 N -1.06 5.83 0.49 2.29 2.47 -0.02 -4.66 114.94 120.28 1cxf s ASN 201 Ca 0.65 -2.48 0.33 0.00 0.42 0.00 0.00 52.86 51.77 1cxf s ASN 201 Cb -0.35 -2.01 1.78 0.00 -1.45 0.00 0.00 41.25 39.22 1cxf s ASN 201 CO 0.43 -0.54 2.00 0.45 -3.72 0.00 0.00 177.10 175.72 1cxf h HIS 202 N 7.74 0.00 0.00 0.43 3.86 -1.93 -0.85 115.15 124.39 1cxf h HIS 202 Ca -0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1cxf h HIS 202 Cb 1.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.49 1cxf h HIS 202 CO 0.78 0.00 0.00 -1.71 0.86 0.00 0.00 177.93 177.86 1cxf n ASN 203 N -2.65 0.45 -4.69 2.45 5.15 -1.26 -4.28 115.26 110.43 1cxf n ASN 203 Ca -0.02 0.58 -0.42 0.00 -0.60 0.00 0.00 54.58 54.11 1cxf n ASN 203 Cb 0.05 -0.69 -0.03 0.00 -0.53 0.00 0.00 39.78 38.59 1cxf n ASN 203 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1cxf s ASN 204 N -3.84 7.22 0.29 1.20 3.84 -0.33 -4.76 114.94 118.57 1cxf s ASN 204 Ca 0.08 1.61 0.02 0.00 0.21 0.00 0.00 52.86 54.78 1cxf s ASN 204 Cb 0.12 -2.56 0.57 0.00 -0.55 0.00 0.00 41.25 38.83 1cxf s ASN 204 CO 0.44 -0.45 1.84 0.28 -2.79 0.00 0.00 177.10 176.42 1cxf h SER 205 N 7.12 0.91 -0.12 -4.21 0.02 -1.88 -1.69 113.55 113.69 1cxf h SER 205 Ca -0.33 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1cxf h SER 205 Cb 1.16 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1cxf h SER 205 CO 0.85 0.49 0.06 0.74 -1.14 0.00 0.00 176.83 177.82 1cxf h THR 206 N 0.98 1.12 -0.40 -2.27 2.02 -1.94 -0.07 112.91 112.35 1cxf h THR 206 Ca 0.49 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1cxf h THR 206 Cb 0.49 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1cxf h THR 206 CO -0.26 0.11 0.25 0.58 0.37 0.00 0.00 175.52 176.57 1cxf h VAL 207 N 0.08 1.11 -0.00 3.16 2.07 -1.71 0.23 116.25 121.18 1cxf h VAL 207 Ca 0.04 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1cxf h VAL 207 Cb 0.11 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1cxf h VAL 207 CO -0.01 0.11 0.00 -0.78 0.02 0.00 0.00 177.57 176.92 1cxf h ASP 208 N 0.53 0.00 -0.35 0.57 3.58 -1.22 0.02 116.42 119.55 1cxf h ASP 208 Ca 0.14 -0.18 -0.11 0.00 0.42 0.00 0.00 57.03 57.31 1cxf h ASP 208 Cb -0.04 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1cxf h ASP 208 CO -0.03 0.18 -0.17 0.58 -2.88 0.00 0.00 179.24 176.93 1cxf h VAL 209 N -0.17 1.27 -0.48 2.25 2.07 -0.97 -2.22 116.25 117.99 1cxf h VAL 209 Ca 0.00 -1.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.21 1cxf h VAL 209 Cb 0.18 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1cxf h VAL 209 CO -0.00 0.43 0.11 0.22 0.02 0.00 0.00 177.57 178.35 1cxf h TYR 210 N 0.73 0.81 0.00 1.57 3.20 -0.83 0.11 116.97 122.56 1cxf h TYR 210 Ca 0.11 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1cxf h TYR 210 Cb 0.68 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 1cxf h TYR 210 CO 0.04 0.74 -0.10 -0.07 -1.64 0.00 0.00 178.16 177.13 1cxf h LEU 211 N 0.66 0.00 0.18 2.82 3.38 -0.96 -1.09 115.31 120.30 1cxf h LEU 211 Ca 0.15 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.82 1cxf h LEU 211 Cb 0.34 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.10 1cxf h LEU 211 CO 0.00 0.10 -1.38 0.11 0.09 0.00 0.00 178.44 177.36 1cxf h LYS 212 N 0.00 0.38 -0.09 1.13 1.57 -1.08 -3.07 116.57 115.41 1cxf h LYS 212 Ca -0.00 -0.65 -0.21 0.00 -1.87 0.00 0.00 60.65 57.93 1cxf h LYS 212 Cb 0.81 0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1cxf h LYS 212 CO 0.01 1.30 -0.78 -0.44 -0.57 0.00 0.00 179.45 178.97 1cxf h ASP 213 N 0.10 0.66 -0.05 0.86 5.19 -0.71 -3.20 116.42 119.27 1cxf h ASP 213 Ca -0.20 -0.45 0.02 0.00 -0.62 0.00 0.00 57.03 55.79 1cxf h ASP 213 Cb 2.06 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 41.35 1cxf h ASP 213 CO 0.23 1.21 -0.10 0.00 -3.12 0.00 0.00 179.24 177.47 1cxf h ALA 214 N 0.77 -0.06 0.00 3.45 0.00 -1.28 -2.05 119.26 120.08 1cxf h ALA 214 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1cxf h ALA 214 Cb 1.39 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1cxf h ALA 214 CO 0.14 -0.57 0.00 0.97 0.00 0.00 0.00 179.25 179.79 1cxf h ILE 215 N -0.14 0.00 -0.11 0.00 6.09 -1.61 -1.81 117.51 119.94 1cxf h ILE 215 Ca 0.05 -0.25 -0.20 0.00 -1.37 0.00 0.00 64.86 63.10 1cxf h ILE 215 Cb 0.21 1.00 0.00 0.00 0.47 0.00 0.00 36.82 38.51 1cxf h ILE 215 CO -0.13 0.00 -0.74 0.11 -3.07 0.00 0.00 178.15 174.31 1cxf h LYS 216 N 0.00 0.56 -0.17 2.19 1.79 -1.37 -1.54 116.57 118.02 1cxf h LYS 216 Ca 0.00 -0.45 0.05 0.00 -2.18 0.00 0.00 60.65 58.07 1cxf h LYS 216 Cb 0.35 0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.04 1cxf h LYS 216 CO 0.00 1.08 -0.20 1.98 -1.08 0.00 0.00 179.45 181.23 1cxf h MET 217 N 0.38 -0.23 -0.45 3.15 1.85 -0.93 0.26 114.93 118.97 1cxf h MET 217 Ca -0.04 0.02 -0.09 0.00 -0.61 0.00 0.00 59.70 58.98 1cxf h MET 217 Cb 1.34 0.05 -0.02 0.00 0.43 0.00 0.00 31.60 33.40 1cxf h MET 217 CO 0.14 -0.15 -0.08 -1.49 -0.40 0.00 0.00 176.91 174.93 1cxf h TRP 218 N -0.24 0.86 -0.12 1.39 4.06 -1.44 -0.32 115.95 120.14 1cxf h TRP 218 Ca 0.11 -0.15 -0.06 0.00 2.06 0.00 0.00 58.89 60.85 1cxf h TRP 218 Cb 0.40 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 1cxf h TRP 218 CO -0.33 0.83 -0.21 -0.07 -3.56 0.00 0.00 178.44 175.10 1cxf h LEU 219 N 0.72 0.19 -0.28 -4.49 3.38 -0.78 -1.94 115.31 112.11 1cxf h LEU 219 Ca 0.13 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1cxf h LEU 219 Cb 0.55 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1cxf h LEU 219 CO 0.03 0.42 -0.68 0.44 0.09 0.00 0.00 178.44 178.74 1cxf h ASP 220 N 0.18 0.84 0.32 -0.43 3.32 0.23 -2.91 116.42 117.98 1cxf h ASP 220 Ca 0.03 -0.51 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 1cxf h ASP 220 Cb 0.49 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1cxf h ASP 220 CO 0.03 1.29 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.76 1cxf h LEU 221 N 0.52 0.00 0.00 1.55 3.38 -0.31 -3.46 115.31 116.99 1cxf h LEU 221 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1cxf h LEU 221 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1cxf h LEU 221 CO 0.14 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.29 1cxf n GLY 222 N -0.74 1.41 3.69 0.83 0.00 -0.98 -4.89 105.19 104.52 1cxf n GLY 222 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1cxf n GLY 222 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1cxf n ILE 223 N -0.26 3.26 0.78 -0.61 -5.35 -1.16 -4.93 119.36 111.09 1cxf n ILE 223 Ca 0.00 -0.34 0.08 0.00 -0.27 0.00 0.00 62.75 62.22 1cxf n ILE 223 Cb 0.00 -1.29 -0.03 0.00 -1.74 0.00 0.00 39.64 36.58 1cxf n ILE 223 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1cxf n ASP 224 N -2.50 1.41 -3.65 7.28 8.00 0.54 -4.92 116.55 122.72 1cxf n ASP 224 Ca 0.14 -1.20 0.01 0.00 0.71 0.00 0.00 54.79 54.45 1cxf n ASP 224 Cb 0.49 0.65 -0.00 0.00 -0.02 0.00 0.00 41.12 42.24 1cxf n ASP 224 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1cxf s GLY 225 N -2.21 -0.34 -0.01 0.44 0.00 -1.20 -3.64 107.32 100.36 1cxf s GLY 225 Ca 0.12 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.36 1cxf s GLY 225 CO 0.52 0.83 0.00 -0.42 0.00 0.00 0.00 173.10 174.04 1cxf s ILE 226 N -2.46 0.09 -0.60 0.90 1.01 -0.27 -2.91 121.20 116.96 1cxf s ILE 226 Ca 0.16 0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.74 1cxf s ILE 226 Cb 0.03 -0.15 0.15 0.00 0.01 0.00 0.00 42.46 42.51 1cxf s ILE 226 CO -0.02 0.08 0.51 -0.60 0.00 0.00 0.00 174.94 174.91 1cxf s ARG 227 N 0.53 2.94 0.07 2.79 3.00 -0.68 -2.14 118.95 125.45 1cxf s ARG 227 Ca -0.05 -2.01 -0.31 0.00 -1.00 0.00 0.00 55.73 52.37 1cxf s ARG 227 Cb -0.07 -4.15 -0.08 0.00 0.00 0.00 0.00 34.95 30.65 1cxf s ARG 227 CO -0.01 -1.26 1.56 -1.64 0.00 0.00 0.00 175.30 173.95 1cxf s MET 228 N 0.98 4.23 0.15 5.12 -1.94 -0.12 -1.78 119.30 125.94 1cxf s MET 228 Ca 0.09 2.22 -0.20 0.00 -1.71 0.00 0.00 55.69 56.09 1cxf s MET 228 Cb -0.23 -3.51 -0.07 0.00 2.01 0.00 0.00 34.83 33.02 1cxf s MET 228 CO -0.02 -0.66 0.66 1.21 -0.01 0.00 0.00 175.02 176.21 1cxf s ASN 229 N 2.03 7.11 -1.00 3.03 2.47 0.14 -1.32 114.94 127.39 1cxf s ASN 229 Ca 0.70 1.38 -0.15 0.00 0.42 0.00 0.00 52.86 55.21 1cxf s ASN 229 Cb -0.38 -2.40 0.01 0.00 -1.45 0.00 0.00 41.25 37.03 1cxf s ASN 229 CO 0.30 0.16 0.69 0.00 -3.72 0.00 0.00 177.10 174.54 1cxf n ALA 230 N 1.27 -2.66 0.15 1.71 0.00 -1.25 -4.70 120.51 115.03 1cxf n ALA 230 Ca -0.06 -0.32 0.01 0.00 0.00 0.00 0.00 53.44 53.07 1cxf n ALA 230 Cb 0.50 -2.23 0.18 0.00 0.00 0.00 0.00 19.45 17.90 1cxf n ALA 230 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1cxf h VAL 231 N -1.27 1.20 0.00 0.00 -1.51 -1.64 -2.62 116.25 110.40 1cxf h VAL 231 Ca -0.59 -2.09 0.00 0.00 -1.23 0.00 0.00 66.70 62.79 1cxf h VAL 231 Cb 1.35 2.19 0.00 0.00 -2.13 0.00 0.00 31.29 32.70 1cxf h VAL 231 CO 0.43 0.56 0.00 1.17 -1.23 0.00 0.00 177.57 178.50 1cxf n LYS 232 N -3.57 0.06 -0.34 5.19 4.81 -1.26 -2.97 118.16 120.08 1cxf n LYS 232 Ca -0.00 0.25 0.08 0.00 -0.87 0.00 0.00 58.31 57.76 1cxf n LYS 232 Cb 0.63 -1.60 0.24 0.00 0.02 0.00 0.00 35.03 34.32 1cxf n LYS 232 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1cxf n HIS 233 N -1.70 0.82 -4.38 5.64 8.25 -0.99 -4.50 115.22 118.36 1cxf n HIS 233 Ca 0.04 -0.59 -0.21 0.00 -0.26 0.00 0.00 57.72 56.70 1cxf n HIS 233 Cb 0.22 -0.12 -0.13 0.00 1.12 0.00 0.00 29.99 31.09 1cxf n HIS 233 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1cxf s MET 234 N -1.49 1.02 0.40 -0.41 -1.94 -1.16 -4.50 119.30 111.22 1cxf s MET 234 Ca 0.36 -0.84 -0.26 0.00 -1.71 0.00 0.00 55.69 53.23 1cxf s MET 234 Cb 0.22 -1.06 -0.11 0.00 2.01 0.00 0.00 34.83 35.89 1cxf s MET 234 CO 0.19 0.26 1.21 -2.30 -0.01 0.00 0.00 175.02 174.37 1cxf n PRO 235 N 1.76 1.82 0.00 2.03 -0.02 -1.26 -4.91 135.00 134.41 1cxf n PRO 235 Ca -0.18 0.65 -0.18 0.00 -2.02 0.00 0.00 63.50 61.76 1cxf n PRO 235 Cb 0.54 -2.27 -0.10 0.00 -0.02 0.00 0.00 33.50 31.65 1cxf n PRO 235 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1cxf h PHE 236 N 2.06 0.80 -0.78 6.00 0.04 -1.89 -2.82 116.94 120.35 1cxf h PHE 236 Ca -0.46 -0.41 0.03 0.00 2.80 0.00 0.00 57.97 59.93 1cxf h PHE 236 Cb 1.30 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 39.30 1cxf h PHE 236 CO 0.48 1.22 0.50 0.78 -0.60 0.00 0.00 178.31 180.69 1cxf h GLY 237 N 0.15 1.14 0.99 -1.45 0.00 -1.90 0.81 103.07 102.81 1cxf h GLY 237 Ca -0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1cxf h GLY 237 CO 0.14 0.31 0.31 -0.25 0.00 0.00 0.00 176.54 177.06 1cxf h TRP 238 N 0.96 0.78 -0.75 5.60 7.01 -1.74 -0.96 115.95 126.86 1cxf h TRP 238 Ca 0.32 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.28 1cxf h TRP 238 Cb 0.03 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 26.80 1cxf h TRP 238 CO -0.03 0.57 0.40 1.96 -2.79 0.00 0.00 178.44 178.55 1cxf h GLN 239 N 0.77 1.05 -0.39 2.65 4.20 -0.85 0.14 115.11 122.68 1cxf h GLN 239 Ca 0.20 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1cxf h GLN 239 Cb 0.05 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1cxf h GLN 239 CO -0.03 0.78 0.20 -0.22 -0.67 0.00 0.00 178.83 178.89 1cxf h LYS 240 N 1.06 0.55 0.00 1.46 3.64 -0.36 -0.96 116.57 121.96 1cxf h LYS 240 Ca 0.27 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1cxf h LYS 240 Cb 0.05 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1cxf h LYS 240 CO -0.04 0.47 -0.01 0.66 -2.27 0.00 0.00 179.45 178.26 1cxf h SER 241 N 0.49 0.00 -0.14 4.20 4.64 -0.04 0.51 113.55 123.22 1cxf h SER 241 Ca 0.13 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.35 1cxf h SER 241 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1cxf h SER 241 CO -0.02 0.01 -0.31 0.15 -0.87 0.00 0.00 176.83 175.79 1cxf h PHE 242 N 0.00 0.58 0.00 4.77 3.57 0.18 -2.71 116.94 123.33 1cxf h PHE 242 Ca -0.00 -0.21 -0.03 0.00 3.53 0.00 0.00 57.97 61.25 1cxf h PHE 242 Cb 0.01 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 1cxf h PHE 242 CO 0.00 0.93 -0.15 0.52 -2.23 0.00 0.00 178.31 177.38 1cxf h MET 243 N 0.06 0.00 -0.12 1.11 2.86 -0.39 -1.64 114.93 116.81 1cxf h MET 243 Ca 0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1cxf h MET 243 Cb 0.91 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.57 1cxf h MET 243 CO 0.07 0.15 -0.20 0.00 1.06 0.00 0.00 176.91 177.98 1cxf h ALA 244 N 1.85 0.19 -0.19 6.32 0.00 -0.78 0.10 119.26 126.75 1cxf h ALA 244 Ca -0.00 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1cxf h ALA 244 Cb 0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1cxf h ALA 244 CO 0.02 0.13 0.12 0.00 0.00 0.00 0.00 179.25 179.52 1cxf h ALA 245 N 0.55 0.24 0.53 0.00 0.00 -1.11 0.36 119.26 119.83 1cxf h ALA 245 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1cxf h ALA 245 Cb 0.77 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1cxf h ALA 245 CO 0.05 -0.29 -0.29 0.28 0.00 0.00 0.00 179.25 178.99 1cxf h VAL 246 N 0.24 0.40 -0.35 0.00 2.07 -1.30 -2.11 116.25 115.20 1cxf h VAL 246 Ca 0.07 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 1cxf h VAL 246 Cb -0.01 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1cxf h VAL 246 CO -0.03 0.00 -0.06 0.78 0.02 0.00 0.00 177.57 178.29 1cxf h ASN 247 N -0.76 0.54 0.00 0.57 2.35 -0.62 0.63 115.58 118.29 1cxf h ASN 247 Ca -0.07 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1cxf h ASN 247 Cb 0.61 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1cxf h ASN 247 CO 0.09 0.65 -0.00 0.59 -1.65 0.00 0.00 177.43 177.11 1cxf n ASN 248 N -4.23 0.38 0.00 5.81 3.02 0.13 -3.93 115.26 116.44 1cxf n ASN 248 Ca 0.01 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 1cxf n ASN 248 Cb 0.29 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 1cxf n ASN 248 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cxf n TYR 249 N -0.70 0.00 -3.54 3.10 9.36 -0.80 -5.02 117.16 119.56 1cxf n TYR 249 Ca 0.23 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 61.16 1cxf n TYR 249 Cb 0.17 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 38.74 1cxf n TYR 249 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1cxf s LYS 250 N -0.78 0.35 0.16 2.98 1.02 0.18 -5.09 119.74 118.57 1cxf s LYS 250 Ca 0.00 -0.83 -0.30 0.00 0.02 0.00 0.00 55.97 54.86 1cxf s LYS 250 Cb 0.00 -1.28 -0.07 0.00 -0.52 0.00 0.00 37.83 35.95 1cxf s LYS 250 CO 0.00 -1.07 1.16 -1.25 -0.92 0.00 0.00 175.35 173.26 1cxf s PRO 251 N 1.74 4.52 -0.04 -1.68 0.04 -1.05 -4.45 135.00 134.08 1cxf s PRO 251 Ca 0.12 1.80 -0.05 0.00 0.04 0.00 0.00 61.00 62.90 1cxf s PRO 251 Cb -0.18 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.10 1cxf s PRO 251 CO -0.25 -0.05 0.14 0.14 0.04 0.00 0.00 177.00 177.02 1cxf s VAL 252 N 0.03 0.02 -0.36 -0.36 -7.23 -1.26 -4.69 120.40 106.56 1cxf s VAL 252 Ca 0.52 -0.21 -0.42 0.00 -1.81 0.00 0.00 61.98 60.06 1cxf s VAL 252 Cb -0.31 -0.27 -0.17 0.00 0.56 0.00 0.00 36.38 36.19 1cxf s VAL 252 CO 0.35 -0.11 1.71 0.33 -0.31 0.00 0.00 175.10 177.06 1cxf n PHE 253 N 2.56 1.95 -4.30 2.82 7.35 -0.19 -4.65 117.46 123.01 1cxf n PHE 253 Ca -0.15 0.74 -0.21 0.00 -0.76 0.00 0.00 57.45 57.07 1cxf n PHE 253 Cb 0.58 -2.38 -0.16 0.00 0.35 0.00 0.00 39.48 37.87 1cxf n PHE 253 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1cxf s THR 254 N 3.45 0.70 0.01 -2.13 2.01 -1.26 -1.11 115.64 117.31 1cxf s THR 254 Ca 1.01 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.81 1cxf s THR 254 Cb -1.22 -0.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 1cxf s THR 254 CO 0.71 0.25 -0.11 0.72 -0.69 0.00 0.00 174.62 175.50 1cxf s PHE 255 N 0.74 0.99 0.40 4.92 -0.71 -0.91 -1.08 117.98 122.33 1cxf s PHE 255 Ca -0.11 -0.26 0.08 0.00 -1.04 0.00 0.00 56.93 55.59 1cxf s PHE 255 Cb -0.14 -0.62 -0.02 0.00 -1.21 0.00 0.00 43.02 41.03 1cxf s PHE 255 CO 0.01 -0.00 0.34 0.20 -1.34 0.00 0.00 175.22 174.43 1cxf s GLY 256 N -0.67 2.07 -0.47 1.99 0.00 0.03 -0.94 107.32 109.32 1cxf s GLY 256 Ca 0.02 -1.85 -0.09 0.00 0.00 0.00 0.00 44.72 42.80 1cxf s GLY 256 CO 0.00 -1.68 0.35 1.62 0.00 0.00 0.00 173.10 173.38 1cxf s GLN 257 N -4.08 2.49 -0.44 2.90 0.74 -0.44 -1.12 119.66 119.71 1cxf s GLN 257 Ca 0.46 -1.75 0.04 0.00 0.05 0.00 0.00 55.36 54.15 1cxf s GLN 257 Cb -0.03 -3.93 0.12 0.00 1.10 0.00 0.00 33.01 30.26 1cxf s GLN 257 CO 0.27 -1.19 0.17 -0.46 -0.55 0.00 0.00 175.29 173.54 1cxf s TRP 258 N 1.37 3.46 0.21 1.67 -0.11 -1.26 -2.05 118.94 122.23 1cxf s TRP 258 Ca 0.06 -3.07 -0.32 0.00 1.22 0.00 0.00 56.10 53.99 1cxf s TRP 258 Cb -0.26 -2.89 -0.13 0.00 -1.50 0.00 0.00 33.47 28.69 1cxf s TRP 258 CO -0.01 -0.84 1.64 0.34 -4.62 0.00 0.00 176.95 173.46 1cxf n PHE 259 N 3.66 2.60 -5.17 5.86 -0.00 -1.26 -4.79 117.46 118.37 1cxf n PHE 259 Ca 0.04 0.17 -0.31 0.00 -0.00 0.00 0.00 57.45 57.35 1cxf n PHE 259 Cb 0.37 -2.61 -0.17 0.00 -0.00 0.00 0.00 39.48 37.07 1cxf n PHE 259 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1cxf s LEU 260 N 0.73 2.04 0.96 -2.13 1.43 -1.26 -5.11 118.68 115.34 1cxf s LEU 260 Ca 0.74 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 53.18 1cxf s LEU 260 Cb -0.56 -1.33 0.17 0.00 0.03 0.00 0.00 46.19 44.50 1cxf s LEU 260 CO 0.38 0.18 1.18 -0.83 0.23 0.00 0.00 176.35 177.50 1cxf s GLY 261 N 0.15 1.63 0.36 -3.19 0.00 -1.26 -4.80 107.32 100.21 1cxf s GLY 261 Ca -0.12 -0.78 -0.28 0.00 0.00 0.00 0.00 44.72 43.54 1cxf s GLY 261 CO 0.06 -0.12 1.46 0.14 0.00 0.00 0.00 173.10 174.64 1cxf s VAL 262 N -3.42 2.20 0.00 1.40 1.01 -1.26 -1.05 120.40 119.28 1cxf s VAL 262 Ca 0.67 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1cxf s VAL 262 Cb -0.11 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1cxf s VAL 262 CO 0.53 0.05 0.00 0.59 0.00 0.00 0.00 175.10 176.27 1cxf n ASN 263 N 0.74 -1.43 -4.72 3.32 3.02 -1.26 -4.95 115.26 109.99 1cxf n ASN 263 Ca 0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.16 1cxf n ASN 263 Cb 0.40 -2.06 -0.04 0.00 -0.61 0.00 0.00 39.78 37.46 1cxf n ASN 263 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1cxf s GLU 264 N -0.93 4.51 -0.25 3.52 2.12 -0.21 -5.03 118.70 122.42 1cxf s GLU 264 Ca 0.00 1.15 -0.01 0.00 0.36 0.00 0.00 54.97 56.46 1cxf s GLU 264 Cb 0.00 -3.43 0.08 0.00 0.26 0.00 0.00 34.13 31.04 1cxf s GLU 264 CO 0.00 0.07 0.05 0.08 -0.54 0.00 0.00 175.26 174.92 1cxf s VAL 265 N 0.68 0.81 -0.22 3.70 1.01 -1.26 -4.73 120.40 120.39 1cxf s VAL 265 Ca 0.44 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 1cxf s VAL 265 Cb -0.20 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1cxf s VAL 265 CO 0.23 -0.41 0.10 -0.55 0.00 0.00 0.00 175.10 174.48 1cxf s SER 266 N 1.69 5.73 0.21 3.32 0.15 -1.26 -4.97 113.70 118.57 1cxf s SER 266 Ca 0.03 0.04 0.10 0.00 0.70 0.00 0.00 55.95 56.82 1cxf s SER 266 Cb -0.17 -2.01 0.10 0.00 -1.71 0.00 0.00 66.02 62.22 1cxf s SER 266 CO -0.16 0.09 1.46 -0.65 1.20 0.00 0.00 173.24 175.18 1cxf h PRO 267 N 7.32 0.00 -0.72 5.44 0.11 -2.00 -1.18 132.00 140.97 1cxf h PRO 267 Ca -0.37 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 1cxf h PRO 267 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1cxf h PRO 267 CO 0.66 0.77 0.41 0.93 -0.21 0.00 0.00 178.00 180.56 1cxf h GLU 268 N 0.00 1.00 -0.02 1.05 5.08 -1.99 0.25 114.58 119.95 1cxf h GLU 268 Ca -0.01 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1cxf h GLU 268 Cb 1.41 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1cxf h GLU 268 CO 0.10 0.73 0.01 -0.97 -1.00 0.00 0.00 179.01 177.88 1cxf h ASN 269 N 0.99 0.03 -0.18 1.42 -1.24 -1.90 -1.40 115.58 113.30 1cxf h ASN 269 Ca 0.26 -0.21 0.05 0.00 0.71 0.00 0.00 56.30 57.11 1cxf h ASN 269 Cb 0.01 -0.01 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 1cxf h ASN 269 CO -0.04 0.23 -0.14 0.45 -1.29 0.00 0.00 177.43 176.63 1cxf h HIS 270 N -0.17 -0.35 -1.01 0.67 3.86 -0.59 -1.92 115.15 115.64 1cxf h HIS 270 Ca 0.01 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 1cxf h HIS 270 Cb 0.21 0.18 -0.06 0.00 1.06 0.00 0.00 27.41 28.80 1cxf h HIS 270 CO -0.00 -0.21 0.66 -0.22 0.86 0.00 0.00 177.93 179.02 1cxf h LYS 271 N -0.15 1.22 0.06 2.45 3.64 -0.39 -0.58 116.57 122.82 1cxf h LYS 271 Ca 0.11 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1cxf h LYS 271 Cb 0.31 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1cxf h LYS 271 CO -0.27 0.81 -0.03 0.35 -2.27 0.00 0.00 179.45 178.04 1cxf h PHE 272 N 1.26 -0.08 0.00 1.91 3.57 -0.70 -0.03 116.94 122.87 1cxf h PHE 272 Ca 0.41 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 1cxf h PHE 272 Cb 0.03 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1cxf h PHE 272 CO -0.00 -0.02 -0.04 0.00 -2.23 0.00 0.00 178.31 176.01 1cxf h ALA 273 N 0.83 1.14 0.00 2.41 0.00 -0.79 -2.16 119.26 120.69 1cxf h ALA 273 Ca -0.01 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 1cxf h ALA 273 Cb 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1cxf h ALA 273 CO 0.01 0.05 -1.52 -0.91 0.00 0.00 0.00 179.25 176.88 1cxf h ASN 274 N 0.00 0.00 0.00 0.00 2.35 -0.07 -3.42 115.58 114.44 1cxf h ASN 274 Ca -0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 1cxf h ASN 274 Cb 0.23 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 38.33 1cxf h ASN 274 CO 0.01 0.91 -0.86 -1.84 -1.65 0.00 0.00 177.43 174.00 1cxf n GLU 275 N -3.07 0.35 -0.00 0.81 0.28 -0.13 -4.86 120.64 114.02 1cxf n GLU 275 Ca -0.13 -2.19 0.05 0.00 -0.16 0.00 0.00 57.16 54.74 1cxf n GLU 275 Cb 0.99 -0.40 -0.08 0.00 1.43 0.00 0.00 31.44 33.38 1cxf n GLU 275 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1cxf n SER 276 N 0.09 1.86 0.00 -1.84 3.41 -0.82 -4.99 113.62 111.32 1cxf n SER 276 Ca 0.08 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1cxf n SER 276 Cb 1.01 1.33 0.00 0.00 -0.26 0.00 0.00 64.21 66.28 1cxf n SER 276 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cxf n GLY 277 N 1.67 0.93 3.21 5.00 0.00 -1.26 -4.15 105.19 110.59 1cxf n GLY 277 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 1cxf n GLY 277 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1cxf s MET 278 N -0.93 0.93 0.00 1.61 0.23 -1.26 -4.82 119.30 115.05 1cxf s MET 278 Ca 0.00 -1.14 0.00 0.00 -1.03 0.00 0.00 55.69 53.52 1cxf s MET 278 Cb 0.00 -0.81 0.00 0.00 -1.53 0.00 0.00 34.83 32.49 1cxf s MET 278 CO 0.00 0.16 0.00 -1.13 -2.03 0.00 0.00 175.02 172.02 1cxf n SER 279 N 0.76 0.00 -3.80 -1.18 3.41 -0.24 -4.47 113.62 108.10 1cxf n SER 279 Ca -0.17 -0.62 -0.12 0.00 -0.26 0.00 0.00 58.87 57.70 1cxf n SER 279 Cb 0.56 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.45 1cxf n SER 279 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cxf s LEU 280 N 0.00 0.83 0.13 1.04 1.43 -1.26 -0.79 118.68 120.06 1cxf s LEU 280 Ca 0.00 -1.27 -0.30 0.00 -1.03 0.00 0.00 54.13 51.53 1cxf s LEU 280 Cb 0.00 1.23 -0.06 0.00 0.03 0.00 0.00 46.19 47.39 1cxf s LEU 280 CO 0.00 -1.10 0.96 -0.76 0.23 0.00 0.00 176.35 175.68 1cxf s LEU 281 N -3.14 4.52 -1.34 1.79 1.43 -0.28 -2.10 118.68 119.56 1cxf s LEU 281 Ca 0.30 1.81 -0.17 0.00 -1.03 0.00 0.00 54.13 55.05 1cxf s LEU 281 Cb 0.02 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.68 1cxf s LEU 281 CO 0.14 -0.04 1.97 -0.67 0.23 0.00 0.00 176.35 177.98 1cxf n ASP 282 N 2.63 4.26 0.05 2.29 -0.08 -0.48 -4.72 116.55 120.50 1cxf n ASP 282 Ca 0.02 -2.86 -0.03 0.00 -1.51 0.00 0.00 54.79 50.41 1cxf n ASP 282 Cb 0.49 -1.68 0.22 0.00 2.34 0.00 0.00 41.12 42.49 1cxf n ASP 282 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1cxf h PHE 283 N 7.01 0.43 -0.34 -0.67 -1.00 -1.87 -0.51 116.94 119.99 1cxf h PHE 283 Ca 0.49 -0.10 0.03 0.00 2.81 0.00 0.00 57.97 61.20 1cxf h PHE 283 Cb 0.76 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 40.19 1cxf h PHE 283 CO 1.42 0.66 0.14 -0.09 -1.61 0.00 0.00 178.31 178.82 1cxf h ARG 284 N 0.32 0.28 -0.24 1.51 2.43 -1.87 0.38 114.38 117.20 1cxf h ARG 284 Ca 0.04 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1cxf h ARG 284 Cb 0.73 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1cxf h ARG 284 CO 0.06 0.19 0.12 0.35 -1.51 0.00 0.00 179.97 179.18 1cxf h PHE 285 N 0.29 0.35 -0.12 2.20 3.04 -1.84 -2.50 116.94 118.35 1cxf h PHE 285 Ca 0.15 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.08 1cxf h PHE 285 Cb 0.10 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 1cxf h PHE 285 CO -0.12 0.32 0.06 0.00 -2.02 0.00 0.00 178.31 176.55 1cxf h ALA 286 N 0.99 0.16 -0.62 2.41 0.00 -0.48 -1.24 119.26 120.47 1cxf h ALA 286 Ca 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1cxf h ALA 286 Cb 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1cxf h ALA 286 CO -0.01 -0.29 0.33 1.96 0.00 0.00 0.00 179.25 181.24 1cxf h GLN 287 N 0.08 0.88 -0.22 0.00 1.08 -0.26 -1.73 115.11 114.93 1cxf h GLN 287 Ca 0.04 -0.11 -0.12 0.00 -1.45 0.00 0.00 58.65 57.01 1cxf h GLN 287 Cb 0.11 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1cxf h GLN 287 CO -0.01 0.68 -0.37 -0.22 -0.95 0.00 0.00 178.83 177.97 1cxf h LYS 288 N 0.85 0.49 -0.56 1.46 1.63 -1.36 -0.25 116.57 118.83 1cxf h LYS 288 Ca 0.22 -0.23 -0.11 0.00 -0.85 0.00 0.00 60.65 59.68 1cxf h LYS 288 Cb 0.07 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 1cxf h LYS 288 CO -0.03 0.79 -0.07 0.28 -3.45 0.00 0.00 179.45 176.97 1cxf h VAL 289 N 0.41 1.27 -0.22 2.00 2.07 -1.04 -0.99 116.25 119.75 1cxf h VAL 289 Ca 0.04 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1cxf h VAL 289 Cb 0.83 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1cxf h VAL 289 CO 0.07 0.44 0.09 0.03 0.02 0.00 0.00 177.57 178.21 1cxf h ARG 290 N 0.92 0.33 -0.95 1.57 3.08 -1.10 0.46 114.38 118.69 1cxf h ARG 290 Ca 0.15 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.20 1cxf h ARG 290 Cb 0.64 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.57 1cxf h ARG 290 CO 0.04 0.39 0.61 1.96 -1.07 0.00 0.00 179.97 181.90 1cxf h GLN 291 N 0.20 1.08 0.10 0.04 4.20 -0.89 0.35 115.11 120.19 1cxf h GLN 291 Ca 0.07 -0.06 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 1cxf h GLN 291 Cb 0.18 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 1cxf h GLN 291 CO -0.01 0.71 -1.24 0.28 -0.67 0.00 0.00 178.83 177.91 1cxf h VAL 292 N 1.11 1.12 0.00 -0.54 2.07 -0.90 0.49 116.25 119.60 1cxf h VAL 292 Ca 0.41 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.54 1cxf h VAL 292 Cb 0.15 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1cxf h VAL 292 CO -0.17 0.66 -1.41 0.49 0.02 0.00 0.00 177.57 177.17 1cxf n PHE 293 N -4.04 0.51 0.00 1.57 3.72 0.16 -4.43 117.46 114.96 1cxf n PHE 293 Ca -0.23 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1cxf n PHE 293 Cb 0.84 -0.72 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 1cxf n PHE 293 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1cxf n ARG 294 N -2.44 0.00 0.06 -1.08 0.63 0.89 -4.81 116.66 109.92 1cxf n ARG 294 Ca -0.01 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.01 1cxf n ARG 294 Cb 0.55 -0.12 0.40 0.00 0.45 0.00 0.00 32.46 33.74 1cxf n ARG 294 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1cxf n ASP 295 N -2.16 0.32 -3.48 6.15 8.00 0.70 -4.92 116.55 121.15 1cxf n ASP 295 Ca 0.00 0.58 -0.19 0.00 0.71 0.00 0.00 54.79 55.89 1cxf n ASP 295 Cb 0.00 -0.64 0.08 0.00 -0.02 0.00 0.00 41.12 40.54 1cxf n ASP 295 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1cxf n ASN 296 N -1.85 -2.77 -0.30 -2.24 5.15 -0.47 -4.92 115.26 107.86 1cxf n ASN 296 Ca 0.03 -0.62 0.03 0.00 -0.60 0.00 0.00 54.58 53.42 1cxf n ASN 296 Cb 0.20 -5.05 0.04 0.00 -0.53 0.00 0.00 39.78 34.45 1cxf n ASN 296 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1cxf n THR 297 N -4.30 0.24 -3.49 -0.44 -2.24 0.16 -5.01 114.28 99.20 1cxf n THR 297 Ca -0.24 -0.62 -0.12 0.00 -2.27 0.00 0.00 64.05 60.80 1cxf n THR 297 Cb 0.65 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.84 1cxf n THR 297 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cxf s ASP 298 N -0.67 -0.50 0.00 3.42 -1.08 -1.18 -4.98 116.67 111.69 1cxf s ASP 298 Ca 0.09 0.22 0.00 0.00 -0.52 0.00 0.00 52.55 52.35 1cxf s ASP 298 Cb 0.06 0.48 0.00 0.00 -1.46 0.00 0.00 42.92 42.00 1cxf s ASP 298 CO 0.09 -0.69 0.00 -0.46 0.52 0.00 0.00 175.17 174.63 1cxf n ASN 299 N 0.12 0.55 0.20 -0.34 0.23 -1.26 -4.02 115.26 110.74 1cxf n ASN 299 Ca -0.14 -0.63 0.07 0.00 -0.53 0.00 0.00 54.58 53.35 1cxf n ASN 299 Cb 0.61 0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.90 1cxf n ASN 299 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 1cxf h MET 300 N 0.00 0.12 -0.54 -3.83 2.86 -1.56 -1.40 114.93 110.57 1cxf h MET 300 Ca 0.00 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1cxf h MET 300 Cb 0.00 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1cxf h MET 300 CO 0.00 0.08 0.15 1.88 1.06 0.00 0.00 176.91 180.09 1cxf h TYR 301 N 0.13 0.83 -0.55 -0.22 0.05 -1.84 -0.96 116.97 114.40 1cxf h TYR 301 Ca 0.03 -0.07 -0.10 0.00 0.05 0.00 0.00 58.73 58.64 1cxf h TYR 301 Cb -0.01 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.46 1cxf h TYR 301 CO 0.00 0.69 -0.06 0.78 -1.05 0.00 0.00 178.16 178.52 1cxf h GLY 302 N 0.95 1.08 1.05 3.88 0.00 -1.63 0.36 103.07 108.77 1cxf h GLY 302 Ca 0.18 -0.84 -0.08 0.00 0.00 0.00 0.00 47.33 46.59 1cxf h GLY 302 CO -0.01 0.77 0.07 -2.00 0.00 0.00 0.00 176.54 175.38 1cxf h LEU 303 N 0.88 1.00 -0.04 3.11 5.85 -1.18 -1.47 115.31 123.46 1cxf h LEU 303 Ca 0.15 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1cxf h LEU 303 Cb 0.61 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1cxf h LEU 303 CO 0.04 1.03 0.00 0.50 -0.34 0.00 0.00 178.44 179.67 1cxf h LYS 304 N 0.94 0.06 -0.53 1.25 3.64 -0.95 0.70 116.57 121.68 1cxf h LYS 304 Ca 0.18 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1cxf h LYS 304 Cb 0.47 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1cxf h LYS 304 CO 0.02 0.32 0.35 0.00 -2.27 0.00 0.00 179.45 177.87 1cxf h ALA 305 N 0.74 1.65 0.15 5.00 0.00 -0.91 -0.07 119.26 125.81 1cxf h ALA 305 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1cxf h ALA 305 Cb 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1cxf h ALA 305 CO 0.00 0.32 -0.07 1.98 0.00 0.00 0.00 179.25 181.48 1cxf h MET 306 N 0.69 -0.19 -1.00 0.00 1.85 -0.85 0.67 114.93 116.10 1cxf h MET 306 Ca 0.20 0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.34 1cxf h MET 306 Cb -0.04 0.04 -0.06 0.00 0.43 0.00 0.00 31.60 31.97 1cxf h MET 306 CO -0.05 -0.03 0.65 -0.07 -0.40 0.00 0.00 176.91 177.02 1cxf h LEU 307 N -0.32 1.08 -0.07 3.39 3.38 0.04 -0.74 115.31 122.07 1cxf h LEU 307 Ca -0.02 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1cxf h LEU 307 Cb 0.25 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1cxf h LEU 307 CO 0.03 0.73 -0.50 -0.33 0.09 0.00 0.00 178.44 178.46 1cxf h GLU 308 N 1.25 0.46 0.80 1.13 5.08 -0.90 -2.47 114.58 119.93 1cxf h GLU 308 Ca 0.41 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1cxf h GLU 308 Cb 0.03 0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1cxf h GLU 308 CO -0.13 1.05 -0.38 0.78 -1.00 0.00 0.00 179.01 179.32 1cxf h GLY 309 N 0.01 -1.12 -0.38 -3.84 0.00 -0.74 -2.90 103.07 94.11 1cxf h GLY 309 Ca -0.04 0.41 0.28 0.00 0.00 0.00 0.00 47.33 47.98 1cxf h GLY 309 CO 0.10 -0.41 0.54 1.48 0.00 0.00 0.00 176.54 178.25 1cxf h SER 310 N -1.22 0.51 0.69 0.19 4.64 -1.25 0.54 113.55 117.65 1cxf h SER 310 Ca -0.11 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1cxf h SER 310 Cb 0.83 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1cxf h SER 310 CO 0.18 -0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 1cxf h ALA 311 N 1.80 1.00 0.00 5.18 0.00 -1.30 -1.79 119.26 124.15 1cxf h ALA 311 Ca 0.68 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.35 1cxf h ALA 311 Cb 1.45 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 1cxf h ALA 311 CO -0.56 0.00 -1.90 0.00 0.00 0.00 0.00 179.25 176.78 1cxf n ALA 312 N -1.99 1.67 0.48 0.00 0.00 0.15 -4.45 120.51 116.37 1cxf n ALA 312 Ca 0.00 -0.82 0.13 0.00 0.00 0.00 0.00 53.44 52.75 1cxf n ALA 312 Cb 0.22 0.01 0.40 0.00 0.00 0.00 0.00 19.45 20.08 1cxf n ALA 312 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1cxf h ASP 313 N 0.00 0.00 -3.54 0.00 5.19 -0.32 -3.42 116.42 114.33 1cxf h ASP 313 Ca -0.36 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 55.39 1cxf h ASP 313 Cb 1.75 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 40.99 1cxf h ASP 313 CO 0.00 0.00 -0.66 -0.31 -3.12 0.00 0.00 179.24 175.15 1cxf s TYR 314 N -3.21 3.07 0.13 4.55 2.02 -0.68 -4.83 117.35 118.41 1cxf s TYR 314 Ca 0.08 -0.86 -0.24 0.00 -0.37 0.00 0.00 57.07 55.68 1cxf s TYR 314 Cb 0.10 -2.19 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 1cxf s TYR 314 CO 0.57 -0.52 1.65 0.00 -1.57 0.00 0.00 175.55 175.67 1cxf h ALA 315 N 8.18 -0.20 -3.00 3.71 0.00 -1.89 -3.21 119.26 122.85 1cxf h ALA 315 Ca -0.36 0.03 -0.66 0.00 0.00 0.00 0.00 54.91 53.92 1cxf h ALA 315 Cb 1.15 0.40 -0.39 0.00 0.00 0.00 0.00 17.79 18.95 1cxf h ALA 315 CO 0.59 -0.68 -0.36 -0.65 0.00 0.00 0.00 179.25 178.15 1cxf s GLN 316 N -6.10 2.79 0.43 0.00 1.11 -1.26 -4.88 119.66 111.75 1cxf s GLN 316 Ca -0.15 -3.25 0.16 0.00 0.01 0.00 0.00 55.36 52.13 1cxf s GLN 316 Cb 0.10 -3.66 0.98 0.00 -1.01 0.00 0.00 33.01 29.42 1cxf s GLN 316 CO 0.67 -1.26 1.94 -0.24 0.01 0.00 0.00 175.29 176.41 1cxf h VAL 317 N 4.35 1.07 0.00 1.09 3.04 -1.86 -2.14 116.25 121.80 1cxf h VAL 317 Ca 0.13 -0.85 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 1cxf h VAL 317 Cb 0.79 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 1cxf h VAL 317 CO 0.77 0.23 0.00 0.47 -1.01 0.00 0.00 177.57 178.04 1cxf n ASP 318 N -4.10 0.00 -0.30 3.17 9.92 -1.26 -1.99 116.55 121.99 1cxf n ASP 318 Ca -0.02 -1.02 0.03 0.00 -0.53 0.00 0.00 54.79 53.25 1cxf n ASP 318 Cb 0.30 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 40.83 1cxf n ASP 318 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1cxf n ASP 319 N -0.72 1.84 -4.73 -2.24 8.00 -0.80 -4.20 116.55 113.70 1cxf n ASP 319 Ca 0.07 -1.48 -0.40 0.00 0.71 0.00 0.00 54.79 53.69 1cxf n ASP 319 Cb 0.03 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.04 1cxf n ASP 319 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1cxf s GLN 320 N -0.69 4.44 -0.53 -1.24 -1.52 -0.84 -4.32 119.66 114.97 1cxf s GLN 320 Ca 0.10 0.92 -0.21 0.00 -1.95 0.00 0.00 55.36 54.22 1cxf s GLN 320 Cb 0.06 -3.40 0.05 0.00 -0.22 0.00 0.00 33.01 29.50 1cxf s GLN 320 CO 0.09 0.19 0.74 0.08 -0.25 0.00 0.00 175.29 176.14 1cxf s VAL 321 N 0.33 4.69 0.80 1.09 1.01 -0.89 -1.01 120.40 126.43 1cxf s VAL 321 Ca 0.37 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 1cxf s VAL 321 Cb -0.19 -4.39 0.07 0.00 0.00 0.00 0.00 36.38 31.87 1cxf s VAL 321 CO 0.20 -0.93 1.13 0.42 0.00 0.00 0.00 175.10 175.92 1cxf s THR 322 N 3.12 2.57 -0.15 3.92 -4.23 -0.09 -1.39 115.64 119.39 1cxf s THR 322 Ca 0.20 0.19 -0.34 0.00 -1.18 0.00 0.00 61.69 60.56 1cxf s THR 322 Cb -0.17 -3.08 0.14 0.00 1.34 0.00 0.00 72.50 70.73 1cxf s THR 322 CO 0.14 -0.24 1.34 0.72 -0.54 0.00 0.00 174.62 176.04 1cxf s PHE 323 N -3.38 -0.04 -0.38 3.99 -0.71 -1.26 -1.59 117.98 114.61 1cxf s PHE 323 Ca 0.61 0.00 0.09 0.00 -1.04 0.00 0.00 56.93 56.60 1cxf s PHE 323 Cb -0.13 0.52 -0.11 0.00 -1.21 0.00 0.00 43.02 42.10 1cxf s PHE 323 CO 0.52 -0.12 0.37 0.44 -1.34 0.00 0.00 175.22 175.08 1cxf n ILE 324 N -0.27 0.00 -3.93 -4.49 -5.35 -1.26 -3.92 119.36 100.13 1cxf n ILE 324 Ca -0.03 -0.27 -0.01 0.00 -0.27 0.00 0.00 62.75 62.17 1cxf n ILE 324 Cb 0.60 0.92 0.02 0.00 -1.74 0.00 0.00 39.64 39.44 1cxf n ILE 324 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1cxf n ASP 325 N -1.29 -1.44 -3.40 7.28 5.68 -1.26 -4.55 116.55 117.57 1cxf n ASP 325 Ca 0.01 -1.60 0.01 0.00 -0.50 0.00 0.00 54.79 52.72 1cxf n ASP 325 Cb 0.16 2.30 0.01 0.00 -1.14 0.00 0.00 41.12 42.45 1cxf n ASP 325 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1cxf n ASN 326 N -1.17 -1.14 0.00 -1.12 6.94 -1.26 -4.68 115.26 112.82 1cxf n ASN 326 Ca 0.01 -1.33 0.00 0.00 -0.02 0.00 0.00 54.58 53.24 1cxf n ASN 326 Cb 0.55 1.80 0.00 0.00 -2.36 0.00 0.00 39.78 39.77 1cxf n ASN 326 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1cxf n HIS 327 N -0.78 0.00 -0.32 -2.53 1.44 -1.26 -1.80 115.22 109.97 1cxf n HIS 327 Ca 0.03 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.77 1cxf n HIS 327 Cb 0.51 -0.37 0.05 0.00 0.12 0.00 0.00 29.99 30.30 1cxf n HIS 327 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1cxf n ASP 328 N -1.36 2.18 -4.28 4.39 8.00 -1.26 -4.50 116.55 119.73 1cxf n ASP 328 Ca 0.00 -2.31 -0.17 0.00 0.71 0.00 0.00 54.79 53.02 1cxf n ASP 328 Cb 0.07 -0.14 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 1cxf n ASP 328 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1cxf s MET 329 N -1.54 1.14 0.65 -1.24 -1.94 -0.74 -4.91 119.30 110.70 1cxf s MET 329 Ca 0.11 -1.42 -0.17 0.00 -1.71 0.00 0.00 55.69 52.49 1cxf s MET 329 Cb 0.09 -0.88 -0.01 0.00 2.01 0.00 0.00 34.83 36.04 1cxf s MET 329 CO 0.02 0.15 1.20 -1.21 -0.01 0.00 0.00 175.02 175.16 1cxf s GLU 330 N -3.34 2.66 0.28 2.03 2.02 -1.26 -4.56 118.70 116.52 1cxf s GLU 330 Ca 0.16 1.76 -0.29 0.00 0.02 0.00 0.00 54.97 56.62 1cxf s GLU 330 Cb -0.01 -1.90 -0.10 0.00 0.10 0.00 0.00 34.13 32.23 1cxf s GLU 330 CO 0.03 -1.44 1.30 1.03 0.02 0.00 0.00 175.26 176.21 1cxf s ARG 331 N -3.62 4.39 0.36 1.61 0.52 -0.88 -4.71 118.95 116.62 1cxf s ARG 331 Ca 0.75 2.13 0.19 0.00 -0.52 0.00 0.00 55.73 58.29 1cxf s ARG 331 Cb -0.29 -3.12 1.28 0.00 0.52 0.00 0.00 34.95 33.34 1cxf s ARG 331 CO 0.38 -0.19 1.59 0.35 0.02 0.00 0.00 175.30 177.46 1cxf h PHE 332 N 4.21 0.81 -3.47 -0.53 3.04 -1.86 -3.40 116.94 115.73 1cxf h PHE 332 Ca -0.47 0.04 -0.60 0.00 3.98 0.00 0.00 57.97 60.92 1cxf h PHE 332 Cb 1.22 -0.18 -0.11 0.00 2.56 0.00 0.00 35.95 39.44 1cxf h PHE 332 CO 0.58 -0.43 0.07 -1.58 -2.02 0.00 0.00 178.31 174.94 1cxf s HIS 333 N -5.56 3.33 0.14 0.41 2.46 -1.26 -4.95 115.29 109.85 1cxf s HIS 333 Ca -0.09 0.81 -0.15 0.00 0.47 0.00 0.00 55.06 56.09 1cxf s HIS 333 Cb 0.33 -2.77 -0.07 0.00 -0.13 0.00 0.00 32.58 29.95 1cxf s HIS 333 CO 0.78 -0.22 0.56 0.00 -2.47 0.00 0.00 174.74 173.39 1cxf s ALA 334 N 2.09 3.58 0.28 1.58 0.00 -1.26 -4.14 121.76 123.89 1cxf s ALA 334 Ca 0.25 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.14 1cxf s ALA 334 Cb -0.16 -2.55 0.62 0.00 0.00 0.00 0.00 23.12 21.04 1cxf s ALA 334 CO 0.09 0.44 1.79 0.66 0.00 0.00 0.00 175.76 178.75 1cxf h SER 335 N 3.69 0.76 1.88 0.00 4.64 -1.96 0.23 113.55 122.80 1cxf h SER 335 Ca -0.49 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1cxf h SER 335 Cb 1.20 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1cxf h SER 335 CO 0.65 0.33 -0.10 -0.55 -0.87 0.00 0.00 176.83 176.29 1cxf h ASN 336 N 0.80 0.00 -4.20 4.97 -1.07 -2.02 -3.48 115.58 110.58 1cxf h ASN 336 Ca 0.52 -0.00 -0.51 0.00 0.07 0.00 0.00 56.30 56.38 1cxf h ASN 336 Cb 0.70 0.00 0.11 0.00 -2.07 0.00 0.00 38.32 37.06 1cxf h ASN 336 CO -0.34 0.00 0.38 0.00 0.07 0.00 0.00 177.43 177.54 1cxf s ALA 337 N -3.22 2.44 -0.24 4.14 0.00 0.07 -4.97 121.76 119.98 1cxf s ALA 337 Ca 0.06 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 1cxf s ALA 337 Cb 0.06 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1cxf s ALA 337 CO 0.68 -1.32 1.46 1.21 0.00 0.00 0.00 175.76 177.79 1cxf s ASN 338 N -2.52 6.57 0.53 0.00 3.84 -1.26 -4.83 114.94 117.26 1cxf s ASN 338 Ca 0.68 1.50 0.35 0.00 0.21 0.00 0.00 52.86 55.60 1cxf s ASN 338 Cb -0.21 -2.54 1.52 0.00 -0.55 0.00 0.00 41.25 39.47 1cxf s ASN 338 CO 0.42 -1.12 1.81 0.03 -2.79 0.00 0.00 177.10 175.44 1cxf h ARG 339 N 9.85 0.03 0.00 0.43 3.08 -1.93 -0.33 114.38 125.51 1cxf h ARG 339 Ca -0.30 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1cxf h ARG 339 Cb 1.13 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1cxf h ARG 339 CO 1.01 0.02 0.01 -0.09 -1.07 0.00 0.00 179.97 179.84 1cxf h ARG 340 N 0.03 0.00 0.07 0.04 9.65 -2.00 -2.07 114.38 120.10 1cxf h ARG 340 Ca 0.56 0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 59.17 1cxf h ARG 340 Cb 2.18 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 30.78 1cxf h ARG 340 CO -0.03 0.00 -1.13 0.87 2.80 0.00 0.00 179.97 182.48 1cxf h LYS 341 N 0.00 0.51 -0.15 0.20 1.57 -1.37 -2.45 116.57 114.88 1cxf h LYS 341 Ca 0.00 -0.64 -0.20 0.00 -1.87 0.00 0.00 60.65 57.94 1cxf h LYS 341 Cb 0.01 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1cxf h LYS 341 CO 0.00 1.26 -0.70 1.25 -0.57 0.00 0.00 179.45 180.69 1cxf h LEU 342 N 0.24 0.73 0.22 2.94 6.46 -1.57 -2.77 115.31 121.58 1cxf h LEU 342 Ca -0.14 -0.46 0.00 0.00 -0.12 0.00 0.00 57.88 57.17 1cxf h LEU 342 Cb 1.79 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 41.49 1cxf h LEU 342 CO 0.21 1.22 -0.24 -0.33 -0.62 0.00 0.00 178.44 178.68 1cxf h GLU 343 N 0.45 -0.48 -0.30 1.25 5.08 -1.42 -0.75 114.58 118.41 1cxf h GLU 343 Ca -0.03 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1cxf h GLU 343 Cb 1.29 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 1cxf h GLU 343 CO 0.13 -0.32 -0.07 -0.56 -1.00 0.00 0.00 179.01 177.20 1cxf h GLN 344 N -0.50 0.48 -0.40 2.33 3.07 -1.49 -1.96 115.11 116.65 1cxf h GLN 344 Ca -0.00 -0.12 -0.06 0.00 0.09 0.00 0.00 58.65 58.57 1cxf h GLN 344 Cb 0.47 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.95 1cxf h GLN 344 CO -0.06 0.56 0.01 0.00 0.09 0.00 0.00 178.83 179.43 1cxf h ALA 345 N 1.48 1.29 0.21 0.06 0.00 -1.25 0.25 119.26 121.31 1cxf h ALA 345 Ca 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1cxf h ALA 345 Cb 0.40 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1cxf h ALA 345 CO 0.02 0.48 -0.10 -0.07 0.00 0.00 0.00 179.25 179.58 1cxf h LEU 346 N 0.59 -0.24 -1.10 0.00 3.38 -0.60 -1.69 115.31 115.65 1cxf h LEU 346 Ca 0.13 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 57.93 1cxf h LEU 346 Cb 0.36 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1cxf h LEU 346 CO 0.01 0.14 0.61 0.00 0.09 0.00 0.00 178.44 179.29 1cxf h ALA 347 N 0.02 1.50 0.12 1.53 0.00 -1.11 0.17 119.26 121.50 1cxf h ALA 347 Ca -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1cxf h ALA 347 Cb 0.47 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1cxf h ALA 347 CO 0.05 0.34 -0.19 0.35 0.00 0.00 0.00 179.25 179.79 1cxf h PHE 348 N 1.04 -0.51 0.45 0.00 3.57 -0.38 -2.03 116.94 119.09 1cxf h PHE 348 Ca 0.42 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 1cxf h PHE 348 Cb 0.25 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1cxf h PHE 348 CO -0.00 -0.28 -0.28 1.15 -2.23 0.00 0.00 178.31 176.66 1cxf h THR 349 N -0.38 0.42 -0.16 4.41 2.02 -0.27 -2.30 112.91 116.65 1cxf h THR 349 Ca 0.02 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.25 1cxf h THR 349 Cb 0.39 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1cxf h THR 349 CO -0.10 0.00 0.35 -0.07 0.37 0.00 0.00 175.52 176.07 1cxf h LEU 350 N -0.70 0.00 -1.81 2.58 3.38 -0.95 -1.04 115.31 116.76 1cxf h LEU 350 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1cxf h LEU 350 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1cxf h LEU 350 CO 0.05 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.93 1cxf n THR 351 N -3.27 0.21 -3.71 0.22 -2.24 -0.77 -4.82 114.28 99.90 1cxf n THR 351 Ca 0.02 -0.60 -0.22 0.00 -2.27 0.00 0.00 64.05 60.97 1cxf n THR 351 Cb 0.45 1.13 -0.02 0.00 -2.10 0.00 0.00 70.33 69.79 1cxf n THR 351 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1cxf s SER 352 N -1.14 6.31 1.05 3.42 0.01 -0.40 -4.91 113.70 118.04 1cxf s SER 352 Ca 0.19 0.24 -0.12 0.00 1.31 0.00 0.00 55.95 57.57 1cxf s SER 352 Cb 0.12 -1.94 0.19 0.00 0.21 0.00 0.00 66.02 64.60 1cxf s SER 352 CO 0.18 -0.16 0.89 -2.11 0.41 0.00 0.00 173.24 172.44 1cxf n ARG 353 N -1.53 -1.36 0.00 12.44 0.00 -1.26 -4.78 116.66 120.17 1cxf n ARG 353 Ca -0.07 -0.35 0.00 0.00 -0.00 0.00 0.00 57.85 57.43 1cxf n ARG 353 Cb 0.56 -2.16 0.00 0.00 -0.00 0.00 0.00 32.46 30.86 1cxf n ARG 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1cxf n GLY 354 N 0.90 -1.35 2.98 2.89 0.00 -1.25 -4.84 105.19 104.52 1cxf n GLY 354 Ca 0.07 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 1cxf n GLY 354 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cxf s VAL 355 N 0.00 1.80 0.45 1.61 1.01 -0.18 -4.68 120.40 120.42 1cxf s VAL 355 Ca 0.00 -1.52 -0.25 0.00 0.00 0.00 0.00 61.98 60.21 1cxf s VAL 355 Cb 0.00 -2.07 -0.08 0.00 0.00 0.00 0.00 36.38 34.23 1cxf s VAL 355 CO 0.00 -0.18 1.34 -2.84 0.00 0.00 0.00 175.10 173.42 1cxf s PRO 356 N 1.24 3.71 -0.09 2.72 0.02 -1.26 -0.92 135.00 140.42 1cxf s PRO 356 Ca -0.04 2.22 -0.02 0.00 0.02 0.00 0.00 61.00 63.18 1cxf s PRO 356 Cb -0.19 -2.60 0.03 0.00 0.02 0.00 0.00 34.50 31.76 1cxf s PRO 356 CO -0.07 -0.73 0.02 0.00 -0.33 0.00 0.00 177.00 175.89 1cxf s ALA 357 N -1.28 0.62 -0.20 -1.55 0.00 -0.62 -1.16 121.76 117.57 1cxf s ALA 357 Ca 0.61 -0.15 -0.09 0.00 0.00 0.00 0.00 51.96 52.34 1cxf s ALA 357 Cb -0.39 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 1cxf s ALA 357 CO 0.50 -0.61 0.11 0.42 0.00 0.00 0.00 175.76 176.19 1cxf s ILE 358 N 2.01 5.18 0.07 0.00 1.01 -0.79 -4.45 121.20 124.23 1cxf s ILE 358 Ca 0.04 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.50 1cxf s ILE 358 Cb -0.13 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 1cxf s ILE 358 CO -0.05 0.42 1.11 -0.47 0.00 0.00 0.00 174.94 175.95 1cxf s TYR 359 N 0.55 3.55 -0.03 3.97 5.04 -1.26 -0.30 117.35 128.87 1cxf s TYR 359 Ca 0.06 1.49 -0.37 0.00 -2.44 0.00 0.00 57.07 55.81 1cxf s TYR 359 Cb -0.12 -3.29 -0.16 0.00 0.35 0.00 0.00 41.96 38.74 1cxf s TYR 359 CO 0.00 -0.72 1.51 2.48 -1.34 0.00 0.00 175.55 177.48 1cxf n TYR 360 N 3.58 1.78 0.00 4.97 4.11 0.07 -2.12 117.16 129.56 1cxf n TYR 360 Ca 0.07 0.54 0.00 0.00 -0.00 0.00 0.00 57.90 58.51 1cxf n TYR 360 Cb 0.48 -2.41 0.00 0.00 -0.00 0.00 0.00 39.34 37.41 1cxf n TYR 360 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1cxf n GLY 361 N 3.21 2.62 0.24 -7.48 0.00 -1.26 -4.94 105.19 97.58 1cxf n GLY 361 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 1cxf n GLY 361 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1cxf h THR 362 N 0.00 0.49 0.00 2.61 2.02 -1.77 0.35 112.91 116.61 1cxf h THR 362 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1cxf h THR 362 Cb 0.00 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1cxf h THR 362 CO 0.00 0.00 0.03 -1.84 0.37 0.00 0.00 175.52 174.08 1cxf n GLU 363 N -5.34 0.00 -1.02 6.66 0.00 -1.26 -1.19 120.64 118.49 1cxf n GLU 363 Ca -0.03 0.45 -0.07 0.00 0.00 0.00 0.00 57.16 57.51 1cxf n GLU 363 Cb 0.25 -1.53 0.16 0.00 0.00 0.00 0.00 31.44 30.33 1cxf n GLU 363 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1cxf n GLN 364 N -1.45 2.16 -2.65 3.44 1.13 0.09 -3.98 117.38 116.13 1cxf n GLN 364 Ca 0.00 -3.43 -0.03 0.00 -1.94 0.00 0.00 57.00 51.59 1cxf n GLN 364 Cb 0.03 -1.88 -0.01 0.00 0.11 0.00 0.00 30.24 28.50 1cxf n GLN 364 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1cxf n TYR 365 N -1.03 -1.93 -1.80 1.08 4.02 -0.33 -4.91 117.16 112.25 1cxf n TYR 365 Ca 0.33 0.05 -0.41 0.00 -0.01 0.00 0.00 57.90 57.86 1cxf n TYR 365 Cb 0.90 -1.10 -0.00 0.00 -0.02 0.00 0.00 39.34 39.12 1cxf n TYR 365 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 1cxf s MET 366 N -5.17 4.09 0.16 -0.72 -1.94 -1.11 -4.97 119.30 109.64 1cxf s MET 366 Ca 0.06 2.57 0.03 0.00 -1.71 0.00 0.00 55.69 56.64 1cxf s MET 366 Cb -0.04 -2.95 -0.05 0.00 2.01 0.00 0.00 34.83 33.80 1cxf s MET 366 CO 0.08 -0.55 -0.05 -1.54 -0.01 0.00 0.00 175.02 172.95 1cxf s SER 367 N -0.16 1.51 0.00 3.03 1.04 -1.26 -4.40 113.70 113.47 1cxf s SER 367 Ca 0.53 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1cxf s SER 367 Cb -0.46 0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.71 1cxf s SER 367 CO 0.63 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 175.00 1cxf n GLY 368 N -0.22 3.10 0.00 7.32 0.00 -1.26 -4.92 105.19 109.20 1cxf n GLY 368 Ca -0.09 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1cxf n GLY 368 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cxf n GLY 369 N -1.03 0.28 3.82 -0.02 0.00 -1.26 -2.08 105.19 104.90 1cxf n GLY 369 Ca 0.00 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 1cxf n GLY 369 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cxf s THR 370 N 0.60 1.84 -0.25 2.61 -4.23 -1.26 -1.53 115.64 113.42 1cxf s THR 370 Ca 0.00 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.28 1cxf s THR 370 Cb 0.00 -2.84 -0.10 0.00 1.34 0.00 0.00 72.50 70.90 1cxf s THR 370 CO 0.00 0.00 0.82 -0.67 -0.54 0.00 0.00 174.62 174.23 1cxf n ASP 371 N -4.19 0.59 -0.79 3.99 -0.08 -1.26 -0.90 116.55 113.90 1cxf n ASP 371 Ca 0.16 0.58 0.07 0.00 -1.51 0.00 0.00 54.79 54.09 1cxf n ASP 371 Cb 0.59 -0.44 0.17 0.00 2.34 0.00 0.00 41.12 43.79 1cxf n ASP 371 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1cxf n PRO 372 N 2.12 2.47 0.30 -0.67 -0.04 -1.26 -4.93 135.00 132.99 1cxf n PRO 372 Ca 0.16 -2.05 0.17 0.00 -0.04 0.00 0.00 63.50 61.74 1cxf n PRO 372 Cb -0.03 -1.34 0.86 0.00 -0.04 0.00 0.00 33.50 32.95 1cxf n PRO 372 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1cxf h ASP 373 N 2.71 0.00 0.27 3.54 3.32 -1.20 0.43 116.42 125.49 1cxf h ASP 373 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1cxf h ASP 373 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1cxf h ASP 373 CO 0.00 0.00 -0.18 -0.46 -1.72 0.00 0.00 179.24 176.88 1cxf n ASN 374 N -3.07 0.84 -2.67 6.45 0.23 -0.58 -4.25 115.26 112.21 1cxf n ASN 374 Ca -0.01 -0.81 -0.35 0.00 -0.53 0.00 0.00 54.58 52.88 1cxf n ASN 374 Cb 0.37 0.05 0.03 0.00 -2.08 0.00 0.00 39.78 38.15 1cxf n ASN 374 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1cxf n ARG 375 N -0.71 2.99 -2.79 -3.83 3.00 0.15 -4.86 116.66 110.61 1cxf n ARG 375 Ca 0.13 -3.82 -0.20 0.00 -0.01 0.00 0.00 57.85 53.95 1cxf n ARG 375 Cb 0.32 -2.27 0.03 0.00 0.00 0.00 0.00 32.46 30.54 1cxf n ARG 375 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cxf s ALA 376 N -3.87 4.01 0.18 7.54 0.00 -1.26 -4.89 121.76 123.47 1cxf s ALA 376 Ca 0.52 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 1cxf s ALA 376 Cb 0.43 -1.99 -0.08 0.00 0.00 0.00 0.00 23.12 21.48 1cxf s ALA 376 CO -0.28 -0.58 1.31 0.50 0.00 0.00 0.00 175.76 176.71 1cxf s ARG 377 N -4.63 4.38 -0.36 0.00 3.52 -1.26 -4.86 118.95 115.73 1cxf s ARG 377 Ca 0.55 2.04 -0.30 0.00 -0.13 0.00 0.00 55.73 57.90 1cxf s ARG 377 Cb -0.10 -3.21 -0.08 0.00 -1.56 0.00 0.00 34.95 30.00 1cxf s ARG 377 CO 0.37 -0.28 2.29 1.51 -0.81 0.00 0.00 175.30 178.39 1cxf n ILE 378 N 2.86 0.17 0.80 4.11 3.06 -0.87 -4.79 119.36 124.71 1cxf n ILE 378 Ca 0.07 -0.47 0.06 0.00 -2.50 0.00 0.00 62.75 59.91 1cxf n ILE 378 Cb 0.43 -2.27 0.36 0.00 0.54 0.00 0.00 39.64 38.69 1cxf n ILE 378 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1cxf n PRO 379 N 8.66 0.40 -3.64 9.51 -0.04 -1.26 -4.79 135.00 143.85 1cxf n PRO 379 Ca 0.37 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.76 1cxf n PRO 379 Cb 0.39 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.32 1cxf n PRO 379 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1cxf s SER 380 N -1.97 -0.33 -0.53 3.54 0.15 -1.26 -5.01 113.70 108.29 1cxf s SER 380 Ca 0.18 0.62 0.02 0.00 0.70 0.00 0.00 55.95 57.47 1cxf s SER 380 Cb 0.08 0.68 0.44 0.00 -1.71 0.00 0.00 66.02 65.51 1cxf s SER 380 CO 0.14 -0.11 1.62 0.49 1.20 0.00 0.00 173.24 176.59 1cxf n PHE 381 N 2.16 3.05 -2.82 3.44 3.72 -1.26 -4.92 117.46 120.83 1cxf n PHE 381 Ca -0.12 -2.66 -0.42 0.00 -0.05 0.00 0.00 57.45 54.20 1cxf n PHE 381 Cb 0.56 -0.86 -0.03 0.00 -0.94 0.00 0.00 39.48 38.20 1cxf n PHE 381 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1cxf s SER 382 N -2.58 7.05 0.00 4.37 0.15 -1.26 -4.90 113.70 116.53 1cxf s SER 382 Ca 0.56 1.29 0.13 0.00 0.70 0.00 0.00 55.95 58.64 1cxf s SER 382 Cb 0.45 -2.49 0.38 0.00 -1.71 0.00 0.00 66.02 62.66 1cxf s SER 382 CO -0.06 -0.43 1.31 0.35 1.20 0.00 0.00 173.24 175.61 1cxf n THR 383 N 4.70 0.46 -1.30 6.45 -2.24 -1.26 -4.24 114.28 116.85 1cxf n THR 383 Ca 0.06 -0.48 -0.27 0.00 -2.27 0.00 0.00 64.05 61.09 1cxf n THR 383 Cb 0.49 0.27 0.14 0.00 -2.10 0.00 0.00 70.33 69.12 1cxf n THR 383 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1cxf n SER 384 N 0.55 5.20 -4.44 3.42 7.64 -1.26 -4.64 113.62 120.09 1cxf n SER 384 Ca 0.13 -3.69 -0.28 0.00 1.01 0.00 0.00 58.87 56.04 1cxf n SER 384 Cb 0.31 -0.87 -0.12 0.00 -1.01 0.00 0.00 64.21 62.53 1cxf n SER 384 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1cxf s THR 385 N -3.90 2.52 0.17 0.44 -4.23 -1.26 -5.05 115.64 104.34 1cxf s THR 385 Ca 0.59 -1.80 -0.14 0.00 -1.18 0.00 0.00 61.69 59.17 1cxf s THR 385 Cb 0.49 -2.18 0.06 0.00 1.34 0.00 0.00 72.50 72.21 1cxf s THR 385 CO 0.06 -0.01 1.78 0.74 -0.54 0.00 0.00 174.62 176.65 1cxf h THR 386 N 3.42 0.96 -0.53 3.99 2.02 -1.93 -1.09 112.91 119.75 1cxf h THR 386 Ca -0.49 -0.16 0.08 0.00 0.77 0.00 0.00 66.41 66.61 1cxf h THR 386 Cb 1.19 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.98 1cxf h THR 386 CO 0.46 0.08 0.18 0.00 0.37 0.00 0.00 175.52 176.61 1cxf h ALA 387 N 1.26 0.65 0.67 6.16 0.00 -1.94 0.41 119.26 126.47 1cxf h ALA 387 Ca 0.21 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1cxf h ALA 387 Cb 0.12 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1cxf h ALA 387 CO -0.15 -0.22 -0.46 -0.92 0.00 0.00 0.00 179.25 177.50 1cxf h TYR 388 N 0.36 -1.24 -0.70 0.00 5.03 -1.45 0.03 116.97 118.99 1cxf h TYR 388 Ca 0.26 -0.01 0.16 0.00 2.58 0.00 0.00 58.73 61.72 1cxf h TYR 388 Cb 0.30 0.45 -0.04 0.00 1.55 0.00 0.00 36.73 38.99 1cxf h TYR 388 CO -0.17 -0.67 0.48 1.96 -1.32 0.00 0.00 178.16 178.44 1cxf h GLN 389 N -1.08 0.27 0.08 1.82 4.20 -0.81 0.13 115.11 119.73 1cxf h GLN 389 Ca -0.09 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1cxf h GLN 389 Cb 0.89 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1cxf h GLN 389 CO 0.05 0.18 -0.04 0.28 -0.67 0.00 0.00 178.83 178.63 1cxf h VAL 390 N 0.28 1.10 -0.65 -0.54 2.07 0.76 -1.00 116.25 118.27 1cxf h VAL 390 Ca 0.34 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1cxf h VAL 390 Cb 0.95 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 1cxf h VAL 390 CO -0.08 0.17 0.18 0.40 0.02 0.00 0.00 177.57 178.26 1cxf h ILE 391 N -0.43 1.25 -0.33 4.57 2.04 -0.03 -0.96 117.51 123.62 1cxf h ILE 391 Ca -0.01 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 1cxf h ILE 391 Cb 0.37 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1cxf h ILE 391 CO 0.02 0.34 -0.02 -0.61 0.00 0.00 0.00 178.15 177.88 1cxf h GLN 392 N 0.97 0.52 0.12 2.37 4.15 -0.63 0.19 115.11 122.79 1cxf h GLN 392 Ca 0.21 -0.12 -0.27 0.00 0.77 0.00 0.00 58.65 59.24 1cxf h GLN 392 Cb 0.31 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.92 1cxf h GLN 392 CO -0.00 0.56 -1.28 0.87 -1.93 0.00 0.00 178.83 177.05 1cxf h LYS 393 N 0.50 0.24 0.01 1.69 1.57 -0.58 -3.40 116.57 116.60 1cxf h LYS 393 Ca 0.10 -0.42 -0.36 0.00 -1.87 0.00 0.00 60.65 58.10 1cxf h LYS 393 Cb 0.35 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.76 1cxf h LYS 393 CO 0.01 1.18 -2.28 1.28 -0.57 0.00 0.00 179.45 179.07 1cxf n LEU 394 N -3.50 1.11 -0.29 2.94 4.77 -0.42 -4.54 117.00 117.07 1cxf n LEU 394 Ca -0.09 0.04 0.07 0.00 -0.03 0.00 0.00 56.01 56.00 1cxf n LEU 394 Cb 1.02 -0.04 0.22 0.00 -2.33 0.00 0.00 43.42 42.29 1cxf n LEU 394 CO 0.53 0.63 1.09 0.00 -1.33 0.00 0.00 177.39 178.30 1cxf h ALA 395 N 0.67 1.24 0.00 -1.18 0.00 -0.83 -1.88 119.26 117.28 1cxf h ALA 395 Ca -0.51 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1cxf h ALA 395 Cb 2.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.89 1cxf h ALA 395 CO 0.01 -0.10 -0.01 -1.35 0.00 0.00 0.00 179.25 177.80 1cxf h PRO 396 N 0.61 0.00 -0.03 0.00 0.11 -1.78 -2.97 132.00 127.94 1cxf h PRO 396 Ca 0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.52 1cxf h PRO 396 Cb 0.64 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 1cxf h PRO 396 CO -0.36 0.01 -0.21 -0.07 -0.21 0.00 0.00 178.00 177.16 1cxf h LEU 397 N 0.00 0.05 -0.46 2.35 3.38 -1.60 -1.18 115.31 117.84 1cxf h LEU 397 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1cxf h LEU 397 Cb 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1cxf h LEU 397 CO 0.00 0.26 0.00 0.54 0.09 0.00 0.00 178.44 179.33 1cxf n ARG 398 N -4.27 0.09 -0.11 1.13 1.74 -1.12 0.14 116.66 114.26 1cxf n ARG 398 Ca -0.02 0.40 -0.15 0.00 -0.77 0.00 0.00 57.85 57.31 1cxf n ARG 398 Cb 0.28 -1.70 -0.10 0.00 -1.02 0.00 0.00 32.46 29.92 1cxf n ARG 398 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1cxf n LYS 399 N -1.88 0.52 0.07 5.56 5.02 -0.52 -4.15 118.16 122.78 1cxf n LYS 399 Ca 0.02 0.13 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 1cxf n LYS 399 Cb 0.15 -1.41 0.11 0.00 -0.02 0.00 0.00 35.03 33.85 1cxf n LYS 399 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cxf s ASN 401 N -4.57 4.15 0.56 0.00 3.84 0.12 -4.98 114.94 114.06 1cxf s ASN 401 Ca 0.04 -2.06 0.28 0.00 0.21 0.00 0.00 52.86 51.34 1cxf s ASN 401 Cb 0.12 -1.13 1.48 0.00 -0.55 0.00 0.00 41.25 41.17 1cxf s ASN 401 CO 0.75 -0.36 1.94 1.55 -2.79 0.00 0.00 177.10 178.18 1cxf h PRO 402 N 7.59 0.00 -0.74 0.43 0.13 -1.83 -0.10 132.00 137.47 1cxf h PRO 402 Ca -0.08 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.14 1cxf h PRO 402 Cb 0.99 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.07 1cxf h PRO 402 CO 0.50 0.00 0.49 0.00 -0.23 0.00 0.00 178.00 178.75 1cxf h ALA 403 N 1.57 1.82 0.00 -0.56 0.00 -1.78 0.46 119.26 120.77 1cxf h ALA 403 Ca 0.25 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 1cxf h ALA 403 Cb 1.17 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1cxf h ALA 403 CO -0.00 0.03 -1.01 0.82 0.00 0.00 0.00 179.25 179.09 1cxf h ILE 404 N 0.65 1.07 0.10 0.00 2.04 -1.30 -1.47 117.51 118.60 1cxf h ILE 404 Ca 0.34 -2.64 -0.33 0.00 1.00 0.00 0.00 64.86 63.23 1cxf h ILE 404 Cb 0.45 2.49 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 1cxf h ILE 404 CO -0.12 0.61 -1.75 0.00 0.00 0.00 0.00 178.15 176.89 1cxf h ALA 405 N 1.25 0.44 0.00 1.87 0.00 -1.32 -3.42 119.26 118.09 1cxf h ALA 405 Ca -0.08 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.54 1cxf h ALA 405 Cb 1.64 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.92 1cxf h ALA 405 CO 0.08 1.30 0.00 0.66 0.00 0.00 0.00 179.25 181.29 1cxf n TYR 406 N -3.38 0.00 -0.70 0.00 4.01 0.15 -4.69 117.16 112.55 1cxf n TYR 406 Ca -0.22 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.23 1cxf n TYR 406 Cb 1.05 0.00 0.22 0.00 -0.31 0.00 0.00 39.34 40.30 1cxf n TYR 406 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1cxf s GLY 407 N -0.35 1.58 0.39 2.72 0.00 -0.55 -4.90 107.32 106.21 1cxf s GLY 407 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 44.72 44.67 1cxf s GLY 407 CO 0.00 0.62 0.66 -1.35 0.00 0.00 0.00 173.10 173.03 1cxf s SER 408 N -2.73 6.33 -0.15 1.64 1.04 -0.76 -4.75 113.70 114.32 1cxf s SER 408 Ca 0.67 0.73 -0.03 0.00 0.48 0.00 0.00 55.95 57.81 1cxf s SER 408 Cb -0.23 -2.16 -0.02 0.00 0.10 0.00 0.00 66.02 63.71 1cxf s SER 408 CO 0.62 -0.39 -0.07 -0.89 0.98 0.00 0.00 173.24 173.49 1cxf s THR 409 N -2.44 3.59 -0.06 2.02 2.01 -1.26 -2.37 115.64 117.13 1cxf s THR 409 Ca 0.44 -0.46 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 1cxf s THR 409 Cb -0.10 -2.56 0.03 0.00 0.01 0.00 0.00 72.50 69.88 1cxf s THR 409 CO 0.38 0.50 0.14 -1.58 -0.69 0.00 0.00 174.62 173.37 1cxf s GLN 410 N 0.40 0.10 0.32 4.92 0.74 -0.48 -4.96 119.66 120.70 1cxf s GLN 410 Ca -0.06 0.31 -0.27 0.00 0.05 0.00 0.00 55.36 55.39 1cxf s GLN 410 Cb -0.15 -0.11 -0.10 0.00 1.10 0.00 0.00 33.01 33.76 1cxf s GLN 410 CO 0.04 -0.12 0.97 -2.00 -0.55 0.00 0.00 175.29 173.63 1cxf s GLU 411 N 0.84 4.57 0.00 1.67 -6.30 -1.26 0.32 118.70 118.54 1cxf s GLU 411 Ca -0.06 1.42 0.00 0.00 -2.50 0.00 0.00 54.97 53.82 1cxf s GLU 411 Cb -0.08 -2.87 0.00 0.00 0.00 0.00 0.00 34.13 31.18 1cxf s GLU 411 CO -0.04 0.25 0.11 0.54 0.02 0.00 0.00 175.26 176.14 1cxf n ARG 412 N 0.66 0.91 -3.64 4.30 1.74 0.70 -4.87 116.66 116.46 1cxf n ARG 412 Ca 0.02 -0.11 -0.08 0.00 -0.77 0.00 0.00 57.85 56.91 1cxf n ARG 412 Cb 0.49 -0.47 -0.07 0.00 -1.02 0.00 0.00 32.46 31.39 1cxf n ARG 412 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1cxf s TRP 413 N -0.16 -0.41 -0.13 -1.55 -0.00 -1.14 -4.44 118.94 111.12 1cxf s TRP 413 Ca 0.00 0.99 -0.30 0.00 -0.00 0.00 0.00 56.10 56.79 1cxf s TRP 413 Cb 0.00 0.38 0.11 0.00 -0.00 0.00 0.00 33.47 33.95 1cxf s TRP 413 CO 0.00 -0.20 0.88 -1.50 -0.00 0.00 0.00 176.95 176.13 1cxf s ILE 414 N 0.28 0.00 0.00 5.86 2.07 -1.26 -1.44 121.20 126.71 1cxf s ILE 414 Ca 0.03 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.27 1cxf s ILE 414 Cb -0.05 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.54 1cxf s ILE 414 CO -0.08 0.00 0.00 -0.46 -1.91 0.00 0.00 174.94 172.49 1cxf n ASN 415 N 0.91 0.00 -0.03 4.50 0.23 -0.73 -4.98 115.26 115.16 1cxf n ASN 415 Ca -0.14 -0.21 -0.02 0.00 -0.53 0.00 0.00 54.58 53.69 1cxf n ASN 415 Cb 0.57 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.52 1cxf n ASN 415 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1cxf h ASN 416 N 0.00 0.57 0.00 0.53 -0.26 -1.98 -3.36 115.58 111.08 1cxf h ASN 416 Ca 0.00 -0.12 -0.20 0.00 -0.56 0.00 0.00 56.30 55.42 1cxf h ASN 416 Cb 0.00 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.07 1cxf h ASN 416 CO 0.00 0.65 -1.75 0.47 -1.06 0.00 0.00 177.43 175.75 1cxf n ASP 417 N -4.25 2.74 -4.84 5.81 8.00 -1.26 -2.00 116.55 120.76 1cxf n ASP 417 Ca 0.02 -0.04 -0.35 0.00 0.71 0.00 0.00 54.79 55.12 1cxf n ASP 417 Cb 0.27 0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.48 1cxf n ASP 417 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1cxf s VAL 418 N -2.26 4.87 -0.16 2.53 1.01 -1.26 -2.11 120.40 123.01 1cxf s VAL 418 Ca -0.13 0.82 -0.05 0.00 0.00 0.00 0.00 61.98 62.63 1cxf s VAL 418 Cb 0.04 -3.74 0.08 0.00 0.00 0.00 0.00 36.38 32.76 1cxf s VAL 418 CO 0.36 0.26 0.29 -0.22 0.00 0.00 0.00 175.10 175.78 1cxf s LEU 419 N -1.92 -0.35 -0.26 3.92 2.96 -0.46 -1.78 118.68 120.80 1cxf s LEU 419 Ca 0.37 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.75 1cxf s LEU 419 Cb -0.15 0.77 0.05 0.00 0.50 0.00 0.00 46.19 47.36 1cxf s LEU 419 CO 0.19 -0.26 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.25 1cxf s ILE 420 N 2.44 2.49 0.09 6.68 1.01 -0.52 -1.63 121.20 131.77 1cxf s ILE 420 Ca 0.03 -1.40 0.09 0.00 0.00 0.00 0.00 60.65 59.37 1cxf s ILE 420 Cb -0.13 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1cxf s ILE 420 CO -0.10 0.04 -0.20 -0.72 0.00 0.00 0.00 174.94 173.96 1cxf s TYR 421 N 1.20 2.50 -0.12 3.97 1.13 -0.56 -0.22 117.35 125.25 1cxf s TYR 421 Ca -0.05 -0.28 -0.00 0.00 -1.41 0.00 0.00 57.07 55.32 1cxf s TYR 421 Cb -0.19 -1.37 -0.02 0.00 -1.10 0.00 0.00 41.96 39.29 1cxf s TYR 421 CO -0.05 0.33 -0.11 -2.00 -2.51 0.00 0.00 175.55 171.21 1cxf s GLU 422 N -1.90 3.29 -0.18 -3.49 2.12 0.15 -1.51 118.70 117.18 1cxf s GLU 422 Ca 0.16 -0.65 -0.06 0.00 0.36 0.00 0.00 54.97 54.78 1cxf s GLU 422 Cb -0.10 -2.64 -0.03 0.00 0.26 0.00 0.00 34.13 31.61 1cxf s GLU 422 CO 0.08 0.30 0.02 1.03 -0.54 0.00 0.00 175.26 176.14 1cxf s ARG 423 N 0.15 3.80 -0.02 4.30 1.81 0.83 -1.38 118.95 128.44 1cxf s ARG 423 Ca -0.06 -0.44 0.01 0.00 -1.72 0.00 0.00 55.73 53.53 1cxf s ARG 423 Cb -0.15 -3.10 0.01 0.00 -0.45 0.00 0.00 34.95 31.27 1cxf s ARG 423 CO 0.04 0.20 -0.05 0.21 -0.68 0.00 0.00 175.30 175.03 1cxf s LYS 424 N 0.52 0.59 -0.28 3.54 2.20 -1.00 -1.44 119.74 123.87 1cxf s LYS 424 Ca 0.00 -0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.48 1cxf s LYS 424 Cb -0.13 -0.60 0.16 0.00 -1.51 0.00 0.00 37.83 35.75 1cxf s LYS 424 CO 0.02 0.02 0.46 0.12 -0.36 0.00 0.00 175.35 175.61 1cxf s PHE 425 N 0.38 -1.19 0.00 4.03 5.36 -0.48 -1.82 117.98 124.27 1cxf s PHE 425 Ca -0.04 0.84 0.00 0.00 -0.96 0.00 0.00 56.93 56.77 1cxf s PHE 425 Cb -0.08 0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.70 1cxf s PHE 425 CO -0.00 -0.90 0.00 0.41 -1.46 0.00 0.00 175.22 173.27 1cxf n GLY 426 N 5.38 2.38 2.59 13.12 0.00 -1.26 -2.21 105.19 125.19 1cxf n GLY 426 Ca -0.00 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 1cxf n GLY 426 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cxf n SER 427 N 3.88 6.84 -3.70 1.61 7.64 -1.26 -4.83 113.62 123.81 1cxf n SER 427 Ca 0.00 -3.35 -0.17 0.00 1.01 0.00 0.00 58.87 56.36 1cxf n SER 427 Cb 0.00 -1.21 -0.16 0.00 -1.01 0.00 0.00 64.21 61.83 1cxf n SER 427 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1cxf s ASN 428 N -0.00 0.64 0.01 6.43 0.01 -0.94 -0.93 114.94 120.17 1cxf s ASN 428 Ca 0.57 0.17 0.04 0.00 -0.71 0.00 0.00 52.86 52.92 1cxf s ASN 428 Cb 0.38 0.02 -0.01 0.00 0.41 0.00 0.00 41.25 42.05 1cxf s ASN 428 CO -0.25 -0.21 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.33 1cxf s VAL 429 N 1.83 0.87 -0.06 1.60 1.01 0.34 -1.38 120.40 124.62 1cxf s VAL 429 Ca -0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1cxf s VAL 429 Cb -0.12 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.53 1cxf s VAL 429 CO -0.04 0.13 0.02 0.00 0.00 0.00 0.00 175.10 175.21 1cxf s ALA 430 N -0.48 0.49 -0.18 5.51 0.00 -0.52 0.01 121.76 126.60 1cxf s ALA 430 Ca 0.02 0.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 1cxf s ALA 430 Cb -0.05 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 1cxf s ALA 430 CO 0.00 -0.43 -0.07 0.08 0.00 0.00 0.00 175.76 175.33 1cxf s VAL 431 N 1.96 3.34 -0.07 0.00 1.01 0.16 -0.12 120.40 126.68 1cxf s VAL 431 Ca 0.04 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.53 1cxf s VAL 431 Cb -0.12 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1cxf s VAL 431 CO -0.04 0.47 -0.22 -0.69 0.00 0.00 0.00 175.10 174.62 1cxf s VAL 432 N 0.89 2.32 -0.13 2.92 1.01 -0.57 0.23 120.40 127.07 1cxf s VAL 432 Ca -0.02 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1cxf s VAL 432 Cb -0.15 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1cxf s VAL 432 CO 0.01 0.56 -0.13 0.00 0.00 0.00 0.00 175.10 175.54 1cxf s ALA 433 N -0.08 1.71 -0.09 5.51 0.00 -0.50 -1.50 121.76 126.81 1cxf s ALA 433 Ca -0.05 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1cxf s ALA 433 Cb -0.14 -0.98 0.02 0.00 0.00 0.00 0.00 23.12 22.01 1cxf s ALA 433 CO 0.04 -0.33 -0.12 0.08 0.00 0.00 0.00 175.76 175.43 1cxf s VAL 434 N 1.44 1.23 -0.57 0.00 1.01 -0.64 -1.62 120.40 121.25 1cxf s VAL 434 Ca 0.03 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1cxf s VAL 434 Cb -0.13 -1.15 0.14 0.00 0.00 0.00 0.00 36.38 35.25 1cxf s VAL 434 CO -0.08 0.39 0.34 0.21 0.00 0.00 0.00 175.10 175.95 1cxf s ASN 435 N 0.96 4.74 0.00 3.32 2.47 -0.62 -1.35 114.94 124.44 1cxf s ASN 435 Ca -0.09 -2.94 0.04 0.00 0.42 0.00 0.00 52.86 50.30 1cxf s ASN 435 Cb -0.15 -1.74 0.19 0.00 -1.45 0.00 0.00 41.25 38.11 1cxf s ASN 435 CO -0.00 -0.29 0.93 -2.11 -3.72 0.00 0.00 177.10 171.90 1cxf n ARG 436 N 3.28 0.06 -2.45 0.43 -4.01 -0.90 -2.00 116.66 111.07 1cxf n ARG 436 Ca 0.06 0.23 -0.41 0.00 -1.04 0.00 0.00 57.85 56.70 1cxf n ARG 436 Cb 0.35 -1.50 -0.03 0.00 -3.04 0.00 0.00 32.46 28.24 1cxf n ARG 436 CO 0.00 0.00 0.00 1.21 -3.04 0.00 0.00 177.63 175.80 1cxf s ASN 437 N -2.52 6.02 0.62 2.89 3.84 -1.26 -4.82 114.94 119.71 1cxf s ASN 437 Ca 0.04 -0.24 0.39 0.00 0.21 0.00 0.00 52.86 53.26 1cxf s ASN 437 Cb 0.03 -2.55 2.08 0.00 -0.55 0.00 0.00 41.25 40.25 1cxf s ASN 437 CO 0.06 -1.91 2.26 -0.07 -2.79 0.00 0.00 177.10 174.65 1cxf h LEU 438 N 13.58 0.00 -0.46 3.21 4.07 -1.90 -2.23 115.31 131.58 1cxf h LEU 438 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.69 1cxf h LEU 438 Cb 1.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1cxf h LEU 438 CO 1.26 0.01 -0.31 0.59 -1.08 0.00 0.00 178.44 178.92 1cxf n ASN 439 N -3.24 0.93 -3.92 -0.43 4.13 -1.26 -4.56 115.26 106.91 1cxf n ASN 439 Ca -0.02 -0.96 -0.16 0.00 1.68 0.00 0.00 54.58 55.11 1cxf n ASN 439 Cb 0.13 0.67 -0.15 0.00 -1.54 0.00 0.00 39.78 38.90 1cxf n ASN 439 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1cxf s ALA 440 N -1.59 0.39 0.71 5.41 0.00 -1.19 -4.97 121.76 120.52 1cxf s ALA 440 Ca 0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.78 1cxf s ALA 440 Cb 0.08 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1cxf s ALA 440 CO 0.31 0.06 1.08 -2.14 0.00 0.00 0.00 175.76 175.07 1cxf s PRO 441 N 0.13 2.86 0.02 0.00 0.02 -1.26 -4.11 135.00 132.65 1cxf s PRO 441 Ca -0.01 0.65 0.07 0.00 0.02 0.00 0.00 61.00 61.74 1cxf s PRO 441 Cb -0.04 -2.01 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 1cxf s PRO 441 CO -0.00 -1.08 -0.22 0.00 -0.33 0.00 0.00 177.00 175.37 1cxf s ALA 442 N -3.22 1.86 -0.54 -1.55 0.00 -0.41 -4.94 121.76 112.95 1cxf s ALA 442 Ca 0.58 -1.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.36 1cxf s ALA 442 Cb -0.12 -0.41 0.13 0.00 0.00 0.00 0.00 23.12 22.72 1cxf s ALA 442 CO 0.53 0.44 0.48 0.45 0.00 0.00 0.00 175.76 177.66 1cxf s SER 443 N -0.91 6.11 -0.46 0.00 0.15 -1.26 0.37 113.70 117.70 1cxf s SER 443 Ca 0.09 -1.89 -0.28 0.00 0.70 0.00 0.00 55.95 54.56 1cxf s SER 443 Cb -0.09 -2.16 0.03 0.00 -1.71 0.00 0.00 66.02 62.09 1cxf s SER 443 CO 0.01 -0.80 1.10 -0.63 1.20 0.00 0.00 173.24 174.12 1cxf s ILE 444 N 1.43 4.28 0.07 6.45 1.09 0.60 -4.95 121.20 130.16 1cxf s ILE 444 Ca 0.05 1.21 0.05 0.00 -1.10 0.00 0.00 60.65 60.85 1cxf s ILE 444 Cb -0.28 -4.56 -0.03 0.00 -1.06 0.00 0.00 42.46 36.53 1cxf s ILE 444 CO 0.01 -0.93 -0.13 -0.94 -0.10 0.00 0.00 174.94 172.85 1cxf s SER 445 N 2.35 1.57 -1.41 3.58 1.04 -1.26 -1.51 113.70 118.05 1cxf s SER 445 Ca 0.46 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1cxf s SER 445 Cb -0.08 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1cxf s SER 445 CO 0.29 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.00 1cxf n GLY 446 N 1.16 0.21 3.65 7.32 0.00 -1.26 -4.97 105.19 111.30 1cxf n GLY 446 Ca -0.20 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1cxf n GLY 446 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cxf s LEU 447 N -4.22 4.11 -0.01 0.99 2.96 -1.26 -5.00 118.68 116.25 1cxf s LEU 447 Ca 0.00 0.96 0.03 0.00 -0.22 0.00 0.00 54.13 54.90 1cxf s LEU 447 Cb 0.00 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 43.59 1cxf s LEU 447 CO 0.00 -0.40 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.84 1cxf s VAL 448 N 2.39 3.44 0.08 1.68 1.01 -1.26 -0.53 120.40 127.21 1cxf s VAL 448 Ca 0.33 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1cxf s VAL 448 Cb -0.16 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1cxf s VAL 448 CO 0.09 0.45 0.06 0.35 0.00 0.00 0.00 175.10 176.05 1cxf n THR 449 N 1.77 0.00 -0.08 3.92 -2.24 0.15 -4.90 114.28 112.90 1cxf n THR 449 Ca -0.16 -0.58 0.09 0.00 -2.27 0.00 0.00 64.05 61.14 1cxf n THR 449 Cb 0.52 0.26 0.22 0.00 -2.10 0.00 0.00 70.33 69.24 1cxf n THR 449 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1cxf n SER 450 N -2.45 3.35 -4.73 3.42 7.64 -1.26 -4.31 113.62 115.28 1cxf n SER 450 Ca 0.01 -1.96 -0.41 0.00 1.01 0.00 0.00 58.87 57.52 1cxf n SER 450 Cb 0.14 -0.31 -0.04 0.00 -1.01 0.00 0.00 64.21 63.00 1cxf n SER 450 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1cxf s LEU 451 N -1.11 4.46 0.96 -3.43 1.43 -1.26 -4.98 118.68 114.74 1cxf s LEU 451 Ca 0.35 1.98 -0.11 0.00 -1.03 0.00 0.00 54.13 55.33 1cxf s LEU 451 Cb 0.19 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 42.97 1cxf s LEU 451 CO 0.26 -0.24 1.02 -2.65 0.23 0.00 0.00 176.35 174.97 1cxf n PRO 452 N 2.86 -0.70 -2.35 1.29 -0.02 -1.26 -4.32 135.00 130.50 1cxf n PRO 452 Ca 0.04 -0.15 -0.42 0.00 -2.02 0.00 0.00 63.50 60.95 1cxf n PRO 452 Cb 0.47 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1cxf n PRO 452 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1cxf s GLN 453 N -4.46 4.31 0.00 -0.52 0.74 -1.26 -4.77 119.66 113.71 1cxf s GLN 453 Ca 0.66 1.80 0.00 0.00 0.05 0.00 0.00 55.36 57.87 1cxf s GLN 453 Cb -0.23 -3.58 0.00 0.00 1.10 0.00 0.00 33.01 30.30 1cxf s GLN 453 CO 0.60 -0.52 0.00 0.41 -0.55 0.00 0.00 175.29 175.23 1cxf n GLY 454 N 3.51 -0.83 3.28 2.59 0.00 -0.52 -4.99 105.19 108.22 1cxf n GLY 454 Ca 0.12 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 1cxf n GLY 454 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cxf s SER 455 N -4.00 3.45 -0.20 1.61 0.15 -1.26 -2.09 113.70 111.36 1cxf s SER 455 Ca 0.00 -0.47 -0.00 0.00 0.70 0.00 0.00 55.95 56.18 1cxf s SER 455 Cb 0.00 -1.48 0.02 0.00 -1.71 0.00 0.00 66.02 62.85 1cxf s SER 455 CO 0.00 0.16 -0.15 -0.31 1.20 0.00 0.00 173.24 174.14 1cxf s TYR 456 N 0.33 2.86 0.44 3.44 1.51 0.01 -4.95 117.35 120.99 1cxf s TYR 456 Ca -0.16 -1.50 -0.22 0.00 -1.01 0.00 0.00 57.07 54.18 1cxf s TYR 456 Cb -0.17 -1.97 -0.09 0.00 -0.11 0.00 0.00 41.96 39.61 1cxf s TYR 456 CO 0.08 -0.75 1.03 -0.80 -1.11 0.00 0.00 175.55 174.00 1cxf s ASN 457 N 1.33 6.63 0.08 2.29 -0.87 -1.26 0.24 114.94 123.37 1cxf s ASN 457 Ca 0.04 1.95 -0.31 0.00 -1.57 0.00 0.00 52.86 52.97 1cxf s ASN 457 Cb -0.14 -2.57 -0.08 0.00 -0.02 0.00 0.00 41.25 38.44 1cxf s ASN 457 CO -0.10 -0.58 1.51 -0.62 -2.57 0.00 0.00 177.10 174.74 1cxf s ASP 458 N -1.81 6.72 0.47 -1.22 2.15 -1.25 -4.63 116.67 117.10 1cxf s ASP 458 Ca 0.62 2.37 0.25 0.00 0.43 0.00 0.00 52.55 56.22 1cxf s ASP 458 Cb -0.18 -2.57 1.12 0.00 -0.30 0.00 0.00 42.92 40.99 1cxf s ASP 458 CO 0.23 -0.78 1.92 0.58 -0.17 0.00 0.00 175.17 176.95 1cxf h VAL 459 N 4.56 0.61 -0.16 1.11 2.07 -1.30 0.16 116.25 123.31 1cxf h VAL 459 Ca -0.41 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1cxf h VAL 459 Cb 1.20 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1cxf h VAL 459 CO 0.90 0.20 0.00 0.18 0.02 0.00 0.00 177.57 178.87 1cxf n LEU 460 N -3.53 0.92 -3.95 2.57 4.77 -1.26 -4.92 117.00 111.61 1cxf n LEU 460 Ca -0.01 -0.45 -0.30 0.00 -0.03 0.00 0.00 56.01 55.22 1cxf n LEU 460 Cb 0.35 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 1cxf n LEU 460 CO 0.32 0.22 -0.24 0.61 -1.33 0.00 0.00 177.39 176.98 1cxf n GLY 461 N 0.82 -0.22 2.06 -0.72 0.00 0.55 0.20 105.19 107.88 1cxf n GLY 461 Ca 0.08 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1cxf n GLY 461 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cxf n GLY 462 N -1.53 2.53 0.34 -0.02 0.00 -1.26 -4.94 105.19 100.30 1cxf n GLY 462 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1cxf n GLY 462 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cxf h LEU 463 N 0.00 -0.59 -3.94 0.99 5.85 -0.60 0.32 115.31 117.34 1cxf h LEU 463 Ca 0.00 0.28 -0.60 0.00 0.84 0.00 0.00 57.88 58.40 1cxf h LEU 463 Cb 0.00 0.51 -0.39 0.00 0.37 0.00 0.00 40.66 41.15 1cxf h LEU 463 CO 0.00 -0.33 -0.30 0.18 -0.34 0.00 0.00 178.44 177.65 1cxf n LEU 464 N -5.51 5.73 -1.74 2.25 4.77 -1.26 -4.92 117.00 116.31 1cxf n LEU 464 Ca 0.20 -4.68 -0.20 0.00 -0.03 0.00 0.00 56.01 51.30 1cxf n LEU 464 Cb 0.66 -0.54 -0.07 0.00 -2.33 0.00 0.00 43.42 41.14 1cxf n LEU 464 CO -0.07 1.95 -0.21 0.59 -1.33 0.00 0.00 177.39 178.32 1cxf n ASN 465 N -0.73 -5.53 -4.00 -1.43 4.13 0.11 -1.32 115.26 106.49 1cxf n ASN 465 Ca 0.49 0.38 -0.30 0.00 1.68 0.00 0.00 54.58 56.83 1cxf n ASN 465 Cb 0.83 -4.75 0.23 0.00 -1.54 0.00 0.00 39.78 34.55 1cxf n ASN 465 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1cxf s GLY 466 N -2.62 1.57 0.31 7.41 0.00 -1.08 -4.53 107.32 108.39 1cxf s GLY 466 Ca 0.00 -0.82 0.05 0.00 0.00 0.00 0.00 44.72 43.95 1cxf s GLY 466 CO 0.00 0.01 0.28 0.54 0.00 0.00 0.00 173.10 173.93 1cxf s ASN 467 N -3.77 1.34 0.46 1.64 4.22 -1.26 -4.43 114.94 113.14 1cxf s ASN 467 Ca 0.70 -1.67 -0.21 0.00 -2.14 0.00 0.00 52.86 49.54 1cxf s ASN 467 Cb -0.12 0.54 -0.10 0.00 1.28 0.00 0.00 41.25 42.86 1cxf s ASN 467 CO 0.56 -1.06 1.00 -0.89 -2.04 0.00 0.00 177.10 174.68 1cxf s THR 468 N -3.52 4.07 0.08 0.54 2.01 -1.26 -3.79 115.64 113.77 1cxf s THR 468 Ca 0.39 1.29 0.07 0.00 0.31 0.00 0.00 61.69 63.76 1cxf s THR 468 Cb 0.03 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1cxf s THR 468 CO 0.24 -0.27 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.56 1cxf s LEU 469 N -3.33 2.92 -0.13 4.42 2.96 0.14 -4.95 118.68 120.72 1cxf s LEU 469 Ca 0.65 -0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1cxf s LEU 469 Cb -0.13 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.86 1cxf s LEU 469 CO 0.17 0.21 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.86 1cxf s SER 470 N -1.94 2.43 -0.19 3.68 0.01 -1.26 -0.81 113.70 115.61 1cxf s SER 470 Ca 0.19 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 57.06 1cxf s SER 470 Cb -0.11 -0.98 0.04 0.00 0.21 0.00 0.00 66.02 65.17 1cxf s SER 470 CO 0.11 -0.10 -0.13 -0.69 0.41 0.00 0.00 173.24 172.84 1cxf s VAL 471 N 1.61 1.79 0.00 3.43 1.01 -0.89 0.24 120.40 127.60 1cxf s VAL 471 Ca 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1cxf s VAL 471 Cb -0.13 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1cxf s VAL 471 CO -0.09 0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1cxf n GLY 472 N 4.65 0.24 3.73 4.51 0.00 0.85 -1.45 105.19 117.73 1cxf n GLY 472 Ca -0.16 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 1cxf n GLY 472 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cxf s SER 473 N -1.00 3.63 0.00 1.61 1.04 -1.26 -2.70 113.70 115.01 1cxf s SER 473 Ca 0.00 1.42 0.00 0.00 0.48 0.00 0.00 55.95 57.85 1cxf s SER 473 Cb 0.00 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 64.02 1cxf s SER 473 CO 0.00 -2.53 0.00 0.61 0.98 0.00 0.00 173.24 172.30 1cxf n GLY 474 N -1.35 2.92 2.13 7.32 0.00 -1.26 -2.52 105.19 112.43 1cxf n GLY 474 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 1cxf n GLY 474 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cxf n GLY 475 N -2.00 0.69 3.70 -0.02 0.00 -1.10 -4.49 105.19 101.97 1cxf n GLY 475 Ca 0.00 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1cxf n GLY 475 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cxf s ALA 476 N -2.14 3.50 0.07 4.61 0.00 -1.05 0.31 121.76 127.06 1cxf s ALA 476 Ca 0.00 0.79 -0.20 0.00 0.00 0.00 0.00 51.96 52.55 1cxf s ALA 476 Cb 0.00 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.53 1cxf s ALA 476 CO 0.00 -0.71 0.59 0.00 0.00 0.00 0.00 175.76 175.64 1cxf s ALA 477 N 1.88 3.57 0.65 0.00 0.00 0.31 -0.11 121.76 128.05 1cxf s ALA 477 Ca 0.60 0.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.45 1cxf s ALA 477 Cb -0.29 -2.67 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 1cxf s ALA 477 CO 0.26 0.36 1.14 -1.12 0.00 0.00 0.00 175.76 176.41 1cxf s SER 478 N -1.01 5.03 0.47 0.00 0.01 0.14 -4.50 113.70 113.84 1cxf s SER 478 Ca 0.30 2.15 -0.23 0.00 1.31 0.00 0.00 55.95 59.47 1cxf s SER 478 Cb -0.20 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.38 1cxf s SER 478 CO 0.19 -1.69 1.16 0.59 0.41 0.00 0.00 173.24 173.90 1cxf n ASN 479 N -2.20 1.89 -3.60 2.44 5.03 -1.26 -4.82 115.26 112.74 1cxf n ASN 479 Ca 0.12 1.01 -0.11 0.00 0.87 0.00 0.00 54.58 56.47 1cxf n ASN 479 Cb 0.51 -1.45 -0.04 0.00 -1.02 0.00 0.00 39.78 37.78 1cxf n ASN 479 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1cxf s PHE 480 N -1.29 -0.26 -0.16 3.10 -0.12 -0.57 -5.03 117.98 113.66 1cxf s PHE 480 Ca 0.66 -0.03 -0.12 0.00 -0.05 0.00 0.00 56.93 57.39 1cxf s PHE 480 Cb -0.49 0.30 -0.05 0.00 -0.63 0.00 0.00 43.02 42.15 1cxf s PHE 480 CO 0.54 -0.72 0.24 0.99 -0.05 0.00 0.00 175.22 176.22 1cxf s THR 481 N -3.73 5.34 -0.56 -4.49 2.01 -1.26 -0.29 115.64 112.66 1cxf s THR 481 Ca 0.02 0.42 -0.11 0.00 0.31 0.00 0.00 61.69 62.34 1cxf s THR 481 Cb 0.01 -3.56 0.14 0.00 0.01 0.00 0.00 72.50 69.10 1cxf s THR 481 CO -0.12 0.44 0.45 -0.22 -0.69 0.00 0.00 174.62 174.49 1cxf s LEU 482 N 0.16 5.92 0.38 4.42 2.96 0.16 -4.94 118.68 127.74 1cxf s LEU 482 Ca 0.14 -2.10 -0.13 0.00 -0.22 0.00 0.00 54.13 51.82 1cxf s LEU 482 Cb -0.13 -2.07 -0.11 0.00 0.50 0.00 0.00 46.19 44.39 1cxf s LEU 482 CO 0.03 -0.68 -0.11 0.00 -1.32 0.00 0.00 176.35 174.26 1cxf n ALA 483 N 4.70 -2.74 -1.85 5.97 0.00 -1.26 -1.29 120.51 124.03 1cxf n ALA 483 Ca -0.04 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 1cxf n ALA 483 Cb 0.41 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 1cxf n ALA 483 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cxf s ALA 484 N -1.45 3.62 0.00 0.00 0.00 -1.26 -0.69 121.76 121.99 1cxf s ALA 484 Ca 0.41 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.53 1cxf s ALA 484 Cb -0.35 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 18.99 1cxf s ALA 484 CO 0.49 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 175.25 1cxf n GLY 485 N 4.27 1.12 3.64 0.00 0.00 -0.84 -4.87 105.19 108.51 1cxf n GLY 485 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1cxf n GLY 485 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cxf n GLY 486 N -2.00 -0.12 3.13 -0.02 0.00 0.14 -4.72 105.19 101.60 1cxf n GLY 486 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1cxf n GLY 486 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cxf s THR 487 N -1.52 -0.52 0.01 2.61 2.01 -0.43 -1.60 115.64 116.19 1cxf s THR 487 Ca 0.78 0.23 0.03 0.00 0.31 0.00 0.00 61.69 63.03 1cxf s THR 487 Cb -0.40 -0.55 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 1cxf s THR 487 CO 0.45 0.09 -0.08 0.00 -0.69 0.00 0.00 174.62 174.39 1cxf s ALA 488 N 2.50 0.67 -0.10 7.40 0.00 -0.64 -2.62 121.76 128.97 1cxf s ALA 488 Ca -0.00 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.55 1cxf s ALA 488 Cb -0.12 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1cxf s ALA 488 CO -0.11 0.14 -0.20 0.08 0.00 0.00 0.00 175.76 175.67 1cxf s VAL 489 N -0.41 1.81 -0.02 0.00 1.01 -1.26 -1.41 120.40 120.13 1cxf s VAL 489 Ca 0.01 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.20 1cxf s VAL 489 Cb -0.04 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1cxf s VAL 489 CO -0.00 0.50 -0.22 0.26 0.00 0.00 0.00 175.10 175.64 1cxf s TRP 490 N 0.56 1.99 0.18 5.22 0.51 0.14 -0.75 118.94 126.78 1cxf s TRP 490 Ca -0.15 -0.38 -0.14 0.00 -2.12 0.00 0.00 56.10 53.32 1cxf s TRP 490 Cb -0.17 -1.28 0.02 0.00 -0.81 0.00 0.00 33.47 31.23 1cxf s TRP 490 CO 0.05 -0.03 0.43 1.14 -0.51 0.00 0.00 176.95 178.02 1cxf s GLN 491 N -0.54 1.27 -0.15 4.98 1.03 -1.26 0.37 119.66 125.35 1cxf s GLN 491 Ca 0.09 -0.95 -0.12 0.00 0.04 0.00 0.00 55.36 54.41 1cxf s GLN 491 Cb -0.09 0.46 0.04 0.00 0.03 0.00 0.00 33.01 33.46 1cxf s GLN 491 CO -0.01 -0.51 0.39 -0.47 -2.54 0.00 0.00 175.29 172.16 1cxf s TYR 492 N -3.90 -0.47 0.04 9.60 5.04 0.10 -4.99 117.35 122.77 1cxf s TYR 492 Ca 0.11 1.11 0.04 0.00 -2.44 0.00 0.00 57.07 55.89 1cxf s TYR 492 Cb 0.01 0.17 -0.02 0.00 0.35 0.00 0.00 41.96 42.47 1cxf s TYR 492 CO -0.03 -0.24 -0.12 0.95 -1.34 0.00 0.00 175.55 174.77 1cxf s THR 493 N 0.52 0.94 0.23 4.34 -4.23 -1.26 -0.51 115.64 115.67 1cxf s THR 493 Ca -0.03 -0.94 -0.20 0.00 -1.18 0.00 0.00 61.69 59.34 1cxf s THR 493 Cb -0.04 -0.87 0.03 0.00 1.34 0.00 0.00 72.50 72.96 1cxf s THR 493 CO -0.03 -0.06 0.64 0.00 -0.54 0.00 0.00 174.62 174.63 1cxf s ALA 494 N -0.87 -1.21 0.18 3.99 0.00 -0.10 -4.98 121.76 118.77 1cxf s ALA 494 Ca -0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.54 1cxf s ALA 494 Cb -0.08 0.87 -0.08 0.00 0.00 0.00 0.00 23.12 23.83 1cxf s ALA 494 CO 0.01 -0.91 1.29 0.00 0.00 0.00 0.00 175.76 176.14 1cxf s ALA 495 N -3.87 3.50 0.23 0.00 0.00 -1.26 -4.54 121.76 115.82 1cxf s ALA 495 Ca 0.09 1.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.81 1cxf s ALA 495 Cb -0.03 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 1cxf s ALA 495 CO 0.00 -0.50 0.96 0.99 0.00 0.00 0.00 175.76 177.21 1cxf s THR 496 N 0.23 4.04 -0.16 0.00 2.01 -1.26 -4.69 115.64 115.81 1cxf s THR 496 Ca 0.57 2.01 -0.22 0.00 0.31 0.00 0.00 61.69 64.36 1cxf s THR 496 Cb -0.35 -4.28 -0.20 0.00 0.01 0.00 0.00 72.50 67.68 1cxf s THR 496 CO 0.37 0.46 0.45 0.00 -0.69 0.00 0.00 174.62 175.20 1cxf h ALA 497 N 4.27 0.09 -2.28 7.40 0.00 -1.93 -3.39 119.26 123.42 1cxf h ALA 497 Ca -0.45 -0.69 -0.49 0.00 0.00 0.00 0.00 54.91 53.28 1cxf h ALA 497 Cb 1.20 0.28 0.02 0.00 0.00 0.00 0.00 17.79 19.29 1cxf h ALA 497 CO 0.68 0.27 -0.04 0.95 0.00 0.00 0.00 179.25 181.11 1cxf s THR 498 N -2.20 5.00 -0.01 0.00 -4.23 -1.26 -4.89 115.64 108.04 1cxf s THR 498 Ca -0.20 -0.10 -0.30 0.00 -1.18 0.00 0.00 61.69 59.91 1cxf s THR 498 Cb 0.01 -3.85 -0.06 0.00 1.34 0.00 0.00 72.50 69.94 1cxf s THR 498 CO 0.56 -0.67 1.45 -2.84 -0.54 0.00 0.00 174.62 172.58 1cxf s PRO 499 N -4.43 4.25 -0.11 3.99 0.02 -1.19 -4.22 135.00 133.31 1cxf s PRO 499 Ca 0.44 2.02 0.01 0.00 0.02 0.00 0.00 61.00 63.48 1cxf s PRO 499 Cb -0.10 -3.65 0.02 0.00 0.02 0.00 0.00 34.50 30.79 1cxf s PRO 499 CO 0.39 -0.64 -0.12 0.99 -0.33 0.00 0.00 177.00 177.29 1cxf s THR 500 N 2.73 1.32 -0.27 0.99 2.01 0.46 -3.87 115.64 119.01 1cxf s THR 500 Ca 0.66 -0.51 -0.19 0.00 0.31 0.00 0.00 61.69 61.96 1cxf s THR 500 Cb -0.32 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.92 1cxf s THR 500 CO 0.27 0.41 0.55 -0.63 -0.69 0.00 0.00 174.62 174.52 1cxf s ILE 501 N 1.28 5.03 -0.29 1.82 1.01 -1.26 -1.97 121.20 126.82 1cxf s ILE 501 Ca -0.01 0.87 0.19 0.00 0.00 0.00 0.00 60.65 61.70 1cxf s ILE 501 Cb -0.14 -3.88 -0.27 0.00 0.01 0.00 0.00 42.46 38.18 1cxf s ILE 501 CO -0.05 0.02 0.54 0.61 0.00 0.00 0.00 174.94 176.06 1cxf n GLY 502 N 4.40 -0.85 3.54 6.18 0.00 0.13 -4.92 105.19 113.66 1cxf n GLY 502 Ca -0.03 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 1cxf n GLY 502 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1cxf s HIS 503 N -3.17 -0.43 -0.03 1.61 5.65 0.25 -4.83 115.29 114.35 1cxf s HIS 503 Ca -0.03 0.59 -0.07 0.00 0.25 0.00 0.00 55.06 55.81 1cxf s HIS 503 Cb 0.13 0.47 0.01 0.00 -1.18 0.00 0.00 32.58 32.01 1cxf s HIS 503 CO 0.80 -0.48 0.16 0.08 -0.65 0.00 0.00 174.74 174.64 1cxf s VAL 504 N -1.83 0.05 -0.28 0.89 1.01 -1.26 0.18 120.40 119.16 1cxf s VAL 504 Ca -0.02 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 1cxf s VAL 504 Cb -0.01 -0.36 0.17 0.00 0.00 0.00 0.00 36.38 36.18 1cxf s VAL 504 CO -0.01 -0.22 1.31 -0.83 0.00 0.00 0.00 175.10 175.35 1cxf s GLY 505 N -0.77 0.17 0.92 4.51 0.00 -0.19 -4.62 107.32 107.34 1cxf s GLY 505 Ca -0.09 3.15 -0.12 0.00 0.00 0.00 0.00 44.72 47.66 1cxf s GLY 505 CO 0.01 1.75 1.09 2.56 0.00 0.00 0.00 173.10 178.52 1cxf s PRO 506 N -0.13 1.05 -0.23 2.90 0.04 -1.26 -0.77 135.00 136.60 1cxf s PRO 506 Ca 0.06 0.72 0.14 0.00 0.04 0.00 0.00 61.00 61.97 1cxf s PRO 506 Cb -0.04 -1.79 0.74 0.00 0.04 0.00 0.00 34.50 33.44 1cxf s PRO 506 CO -0.11 -2.36 1.67 -1.33 0.04 0.00 0.00 177.00 174.91 1cxf n MET 507 N -3.95 4.25 -3.36 4.56 2.81 -1.26 -4.86 117.12 115.30 1cxf n MET 507 Ca 0.06 -3.08 0.02 0.00 -1.81 0.00 0.00 57.70 52.89 1cxf n MET 507 Cb 0.56 -2.15 -0.03 0.00 -0.71 0.00 0.00 33.22 30.88 1cxf n MET 507 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1cxf s MET 508 N -2.82 0.32 -0.02 0.03 -2.45 -1.26 -2.65 119.30 110.45 1cxf s MET 508 Ca 0.51 0.75 -0.30 0.00 -1.25 0.00 0.00 55.69 55.40 1cxf s MET 508 Cb 0.40 0.44 0.11 0.00 1.25 0.00 0.00 34.83 37.04 1cxf s MET 508 CO 0.14 -0.16 1.21 0.00 1.05 0.00 0.00 175.02 177.25 1cxf s ALA 509 N 2.59 -2.10 0.71 4.11 0.00 -0.88 -4.82 121.76 121.37 1cxf s ALA 509 Ca -0.01 0.77 -0.10 0.00 0.00 0.00 0.00 51.96 52.62 1cxf s ALA 509 Cb -0.08 0.33 0.04 0.00 0.00 0.00 0.00 23.12 23.41 1cxf s ALA 509 CO -0.17 -0.96 1.07 -1.59 0.00 0.00 0.00 175.76 174.11 1cxf s LYS 510 N -2.59 2.48 0.57 0.00 -2.85 -1.26 -0.61 119.74 115.48 1cxf s LYS 510 Ca 0.13 0.13 -0.20 0.00 -1.00 0.00 0.00 55.97 55.02 1cxf s LYS 510 Cb 0.03 -2.08 -0.04 0.00 -2.06 0.00 0.00 37.83 33.68 1cxf s LYS 510 CO -0.03 -1.18 1.29 -2.14 0.10 0.00 0.00 175.35 173.40 1cxf s PRO 511 N -5.33 3.03 0.00 1.78 0.02 -1.26 -2.98 135.00 130.25 1cxf s PRO 511 Ca 0.59 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.68 1cxf s PRO 511 Cb -0.11 -2.11 0.00 0.00 0.02 0.00 0.00 34.50 32.30 1cxf s PRO 511 CO 0.48 -1.23 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 1cxf n GLY 512 N 0.70 3.00 3.76 0.52 0.00 0.15 -4.89 105.19 108.43 1cxf n GLY 512 Ca 0.12 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1cxf n GLY 512 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cxf s VAL 513 N -2.36 2.24 0.09 1.61 1.01 -1.16 -4.44 120.40 117.39 1cxf s VAL 513 Ca 0.00 0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.98 1cxf s VAL 513 Cb 0.00 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.19 1cxf s VAL 513 CO 0.00 0.02 0.61 -0.89 0.00 0.00 0.00 175.10 174.84 1cxf s THR 514 N -1.25 4.68 0.18 3.92 2.01 -1.26 -1.30 115.64 122.61 1cxf s THR 514 Ca 0.62 1.29 0.10 0.00 0.31 0.00 0.00 61.69 64.01 1cxf s THR 514 Cb -0.41 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 1cxf s THR 514 CO 0.52 0.54 -0.22 0.27 -0.69 0.00 0.00 174.62 175.04 1cxf s ILE 515 N -1.13 2.13 -0.25 1.82 -4.36 0.17 -4.69 121.20 114.88 1cxf s ILE 515 Ca 0.31 -1.96 -0.04 0.00 -0.26 0.00 0.00 60.65 58.69 1cxf s ILE 515 Cb -0.20 -1.99 0.01 0.00 1.25 0.00 0.00 42.46 41.53 1cxf s ILE 515 CO 0.20 -0.18 -0.02 -0.89 0.24 0.00 0.00 174.94 174.29 1cxf s THR 516 N -1.77 3.33 -0.26 8.37 2.01 0.05 -2.00 115.64 125.37 1cxf s THR 516 Ca 0.18 -0.71 -0.06 0.00 0.31 0.00 0.00 61.69 61.41 1cxf s THR 516 Cb -0.07 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.82 1cxf s THR 516 CO 0.08 0.28 0.03 -0.63 -0.69 0.00 0.00 174.62 173.69 1cxf s ILE 517 N 1.43 3.75 0.06 1.82 1.01 -0.36 -1.02 121.20 127.90 1cxf s ILE 517 Ca 0.03 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.16 1cxf s ILE 517 Cb -0.16 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 1cxf s ILE 517 CO -0.03 0.22 -0.18 -1.81 0.00 0.00 0.00 174.94 173.14 1cxf s ASP 518 N 1.49 3.80 0.00 3.58 1.01 0.13 -0.41 116.67 126.27 1cxf s ASP 518 Ca 0.04 -0.46 0.00 0.00 0.71 0.00 0.00 52.55 52.83 1cxf s ASP 518 Cb -0.16 -0.58 0.00 0.00 1.01 0.00 0.00 42.92 43.19 1cxf s ASP 518 CO 0.00 0.24 0.00 0.61 0.21 0.00 0.00 175.17 176.23 1cxf n GLY 519 N 1.38 -0.93 3.16 0.21 0.00 -0.77 0.17 105.19 108.41 1cxf n GLY 519 Ca -0.16 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 1cxf n GLY 519 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cxf s ARG 520 N -0.49 0.66 0.00 1.61 3.00 -0.83 -4.29 118.95 118.61 1cxf s ARG 520 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 55.73 55.10 1cxf s ARG 520 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 34.95 35.22 1cxf s ARG 520 CO 0.00 -0.18 0.00 0.41 0.00 0.00 0.00 175.30 175.53 1cxf n GLY 521 N 0.77 0.58 0.24 -3.53 0.00 -1.21 -0.40 105.19 101.63 1cxf n GLY 521 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 1cxf n GLY 521 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1cxf h PHE 522 N 0.00 0.79 0.00 1.61 0.04 -1.64 -3.16 116.94 114.58 1cxf h PHE 522 Ca 0.00 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1cxf h PHE 522 Cb 0.00 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 37.91 1cxf h PHE 522 CO 0.00 0.64 0.00 0.41 -0.60 0.00 0.00 178.31 178.76 1cxf n GLY 523 N -0.83 1.29 0.07 -1.45 0.00 -1.26 -4.48 105.19 98.53 1cxf n GLY 523 Ca 0.02 -1.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.11 1cxf n GLY 523 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1cxf h SER 524 N 0.00 0.00 -3.88 1.61 4.64 -1.84 -2.86 113.55 111.21 1cxf h SER 524 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 1cxf h SER 524 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1cxf h SER 524 CO 0.00 0.97 0.33 -0.44 -0.87 0.00 0.00 176.83 176.82 1cxf s SER 525 N -6.68 7.27 0.52 4.97 0.01 -1.26 -4.39 113.70 114.15 1cxf s SER 525 Ca 0.01 1.79 -0.23 0.00 1.31 0.00 0.00 55.95 58.83 1cxf s SER 525 Cb 0.10 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.71 1cxf s SER 525 CO 0.82 -0.09 1.37 0.29 0.41 0.00 0.00 173.24 176.03 1cxf n LYS 526 N 0.43 1.82 0.00 12.44 5.02 -1.26 -4.44 118.16 132.16 1cxf n LYS 526 Ca 0.02 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1cxf n LYS 526 Cb 0.51 -2.58 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 1cxf n LYS 526 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cxf n GLY 527 N 0.72 5.41 3.42 0.72 0.00 -1.26 -4.27 105.19 109.93 1cxf n GLY 527 Ca 0.09 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 1cxf n GLY 527 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cxf s THR 528 N 2.99 2.43 -0.04 2.61 2.01 -0.52 -4.46 115.64 120.66 1cxf s THR 528 Ca 0.00 -1.72 0.04 0.00 0.31 0.00 0.00 61.69 60.32 1cxf s THR 528 Cb 0.00 -2.10 -0.00 0.00 0.01 0.00 0.00 72.50 70.41 1cxf s THR 528 CO 0.00 0.07 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.17 1cxf s VAL 529 N -1.14 1.23 -0.03 3.82 1.01 -0.86 -1.17 120.40 123.26 1cxf s VAL 529 Ca 0.16 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.59 1cxf s VAL 529 Cb -0.10 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 1cxf s VAL 529 CO 0.07 0.36 -0.22 -0.31 0.00 0.00 0.00 175.10 175.00 1cxf s TYR 530 N 0.07 2.05 -0.77 5.22 1.51 0.12 -1.07 117.35 124.48 1cxf s TYR 530 Ca -0.03 -0.47 -0.01 0.00 -1.01 0.00 0.00 57.07 55.55 1cxf s TYR 530 Cb -0.10 -1.34 0.19 0.00 -0.11 0.00 0.00 41.96 40.60 1cxf s TYR 530 CO 0.02 -0.10 0.62 -0.06 -1.11 0.00 0.00 175.55 174.91 1cxf s PHE 531 N -0.35 3.68 0.00 2.71 0.40 -0.79 -1.88 117.98 121.74 1cxf s PHE 531 Ca 0.04 -3.01 0.00 0.00 -0.60 0.00 0.00 56.93 53.35 1cxf s PHE 531 Cb -0.10 -3.11 0.00 0.00 0.51 0.00 0.00 43.02 40.31 1cxf s PHE 531 CO 0.01 -0.73 0.00 0.41 0.70 0.00 0.00 175.22 175.61 1cxf n GLY 532 N 2.59 1.60 0.04 4.36 0.00 -0.58 -3.37 105.19 109.83 1cxf n GLY 532 Ca 0.17 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.55 1cxf n GLY 532 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cxf n THR 533 N 0.00 0.17 -2.08 2.61 -2.24 -1.26 -4.84 114.28 106.63 1cxf n THR 533 Ca 0.00 -0.39 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 1cxf n THR 533 Cb 0.00 0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 1cxf n THR 533 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cxf s THR 534 N -3.35 3.39 0.05 4.28 2.01 -1.22 -5.02 115.64 115.79 1cxf s THR 534 Ca -0.02 0.81 -0.11 0.00 0.31 0.00 0.00 61.69 62.68 1cxf s THR 534 Cb 0.13 -3.52 -0.06 0.00 0.01 0.00 0.00 72.50 69.07 1cxf s THR 534 CO 0.85 -0.00 0.39 0.00 -0.69 0.00 0.00 174.62 175.17 1cxf s ALA 535 N 2.50 3.73 -0.08 7.40 0.00 -1.26 -1.89 121.76 132.15 1cxf s ALA 535 Ca 0.68 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.28 1cxf s ALA 535 Cb -0.35 -2.28 0.03 0.00 0.00 0.00 0.00 23.12 20.51 1cxf s ALA 535 CO 0.29 0.55 -0.02 0.08 0.00 0.00 0.00 175.76 176.66 1cxf s VAL 536 N -1.30 0.54 0.24 0.00 1.01 -0.23 -5.00 120.40 115.66 1cxf s VAL 536 Ca 0.30 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.29 1cxf s VAL 536 Cb -0.15 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1cxf s VAL 536 CO 0.16 0.28 0.16 -0.94 0.00 0.00 0.00 175.10 174.76 1cxf s SER 537 N 1.78 0.69 1.74 3.32 1.04 -1.26 -2.02 113.70 118.99 1cxf s SER 537 Ca 0.03 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 54.97 1cxf s SER 537 Cb -0.13 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1cxf s SER 537 CO -0.05 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1cxf n GLY 538 N -0.39 3.46 0.25 7.32 0.00 -1.26 -3.98 105.19 110.59 1cxf n GLY 538 Ca 0.03 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 1cxf n GLY 538 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cxf n ALA 539 N 11.27 -0.38 0.19 4.61 0.00 -1.26 -0.49 120.51 134.45 1cxf n ALA 539 Ca 0.00 0.51 0.08 0.00 0.00 0.00 0.00 53.44 54.02 1cxf n ALA 539 Cb 0.00 0.06 0.41 0.00 0.00 0.00 0.00 19.45 19.92 1cxf n ALA 539 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1cxf h ASP 540 N 0.00 0.00 -2.92 0.00 5.19 -1.96 -3.08 116.42 113.65 1cxf h ASP 540 Ca 0.10 0.00 -0.71 0.00 -0.62 0.00 0.00 57.03 55.79 1cxf h ASP 540 Cb 0.24 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 39.55 1cxf h ASP 540 CO -0.56 0.00 0.38 -0.63 -3.12 0.00 0.00 179.24 175.31 1cxf s ILE 541 N -3.44 4.93 0.16 0.35 1.01 0.35 -1.22 121.20 123.34 1cxf s ILE 541 Ca -0.02 -1.47 -0.13 0.00 0.00 0.00 0.00 60.65 59.04 1cxf s ILE 541 Cb 0.04 -4.60 0.04 0.00 0.01 0.00 0.00 42.46 37.96 1cxf s ILE 541 CO 0.14 -1.26 1.68 0.71 0.00 0.00 0.00 174.94 176.21 1cxf h THR 542 N 5.65 1.23 -3.09 2.92 1.35 -0.88 -3.46 112.91 116.63 1cxf h THR 542 Ca -0.06 -0.80 -0.15 0.00 -0.55 0.00 0.00 66.41 64.86 1cxf h THR 542 Cb 1.05 0.74 -0.24 0.00 -1.73 0.00 0.00 68.15 67.98 1cxf h THR 542 CO 1.03 0.30 -0.38 -0.94 -0.25 0.00 0.00 175.52 175.28 1cxf s SER 543 N -6.13 -0.25 -0.08 5.36 1.04 -1.02 -5.01 113.70 107.62 1cxf s SER 543 Ca -0.13 0.41 -0.03 0.00 0.48 0.00 0.00 55.95 56.68 1cxf s SER 543 Cb 0.12 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.78 1cxf s SER 543 CO 0.79 -0.18 0.16 0.86 0.98 0.00 0.00 173.24 175.85 1cxf s TRP 544 N -0.25 -0.18 0.32 5.02 -0.11 -1.26 -0.94 118.94 121.53 1cxf s TRP 544 Ca -0.04 0.59 0.03 0.00 1.22 0.00 0.00 56.10 57.91 1cxf s TRP 544 Cb -0.03 -0.20 -0.02 0.00 -1.50 0.00 0.00 33.47 31.72 1cxf s TRP 544 CO 0.01 -0.24 0.32 -1.83 -4.62 0.00 0.00 176.95 170.59 1cxf s GLU 545 N 1.97 1.73 0.25 5.86 -1.05 -0.74 -4.58 118.70 122.15 1cxf s GLU 545 Ca -0.01 -1.89 -0.03 0.00 -0.15 0.00 0.00 54.97 52.89 1cxf s GLU 545 Cb -0.12 0.35 0.49 0.00 -0.44 0.00 0.00 34.13 34.41 1cxf s GLU 545 CO -0.06 -0.66 1.74 0.22 0.95 0.00 0.00 175.26 177.45 1cxf h ASP 546 N 2.19 0.37 -0.10 0.83 3.58 -1.83 -3.18 116.42 118.27 1cxf h ASP 546 Ca -0.27 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.28 1cxf h ASP 546 Cb 1.24 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.35 1cxf h ASP 546 CO 0.39 0.14 0.00 0.35 -2.88 0.00 0.00 179.24 177.24 1cxf n THR 547 N -4.96 0.18 -3.69 2.25 -2.24 -1.26 -1.90 114.28 102.67 1cxf n THR 547 Ca 0.15 -0.59 -0.12 0.00 -2.27 0.00 0.00 64.05 61.22 1cxf n THR 547 Cb 0.43 1.16 -0.09 0.00 -2.10 0.00 0.00 70.33 69.73 1cxf n THR 547 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1cxf s GLN 548 N -1.18 0.59 0.01 -0.78 0.74 -1.20 -1.84 119.66 116.00 1cxf s GLN 548 Ca 0.20 0.79 0.05 0.00 0.05 0.00 0.00 55.36 56.45 1cxf s GLN 548 Cb 0.13 0.24 -0.02 0.00 1.10 0.00 0.00 33.01 34.46 1cxf s GLN 548 CO 0.19 -0.09 -0.15 0.42 -0.55 0.00 0.00 175.29 175.10 1cxf s ILE 549 N 0.58 1.19 -0.15 -2.34 1.01 0.46 -1.79 121.20 120.16 1cxf s ILE 549 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.82 1cxf s ILE 549 Cb -0.05 -1.03 0.03 0.00 0.01 0.00 0.00 42.46 41.43 1cxf s ILE 549 CO -0.03 0.21 -0.11 -0.75 0.00 0.00 0.00 174.94 174.26 1cxf s LYS 550 N -0.69 1.93 -0.01 2.79 2.47 -0.11 -1.22 119.74 124.89 1cxf s LYS 550 Ca 0.04 -0.52 -0.09 0.00 -1.56 0.00 0.00 55.97 53.85 1cxf s LYS 550 Cb -0.07 -2.01 0.01 0.00 -1.46 0.00 0.00 37.83 34.30 1cxf s LYS 550 CO 0.00 -0.31 0.18 0.54 0.16 0.00 0.00 175.35 175.93 1cxf s VAL 551 N 1.55 0.07 0.26 4.02 0.11 -0.84 -0.82 120.40 124.74 1cxf s VAL 551 Ca 0.03 -0.54 -0.14 0.00 -2.93 0.00 0.00 61.98 58.40 1cxf s VAL 551 Cb -0.14 -0.44 -0.08 0.00 -1.53 0.00 0.00 36.38 34.19 1cxf s VAL 551 CO -0.09 -0.30 0.66 -0.54 -3.33 0.00 0.00 175.10 171.50 1cxf s LYS 552 N -1.13 3.98 0.02 1.54 1.02 -0.36 0.41 119.74 125.22 1cxf s LYS 552 Ca -0.12 0.57 -0.30 0.00 0.02 0.00 0.00 55.97 56.14 1cxf s LYS 552 Cb -0.06 -2.62 -0.05 0.00 -0.52 0.00 0.00 37.83 34.58 1cxf s LYS 552 CO 0.02 0.28 1.27 0.42 -0.92 0.00 0.00 175.35 176.41 1cxf s ILE 553 N -1.80 3.94 0.85 2.17 1.01 -0.42 -4.80 121.20 122.14 1cxf s ILE 553 Ca 0.49 1.35 -0.11 0.00 0.00 0.00 0.00 60.65 62.37 1cxf s ILE 553 Cb -0.12 -3.86 0.10 0.00 0.01 0.00 0.00 42.46 38.59 1cxf s ILE 553 CO 0.19 0.05 1.10 -2.16 0.00 0.00 0.00 174.94 174.12 1cxf s PRO 554 N 1.72 1.60 -1.13 2.79 0.04 -1.26 0.35 135.00 139.10 1cxf s PRO 554 Ca 0.60 1.14 -0.14 0.00 0.04 0.00 0.00 61.00 62.64 1cxf s PRO 554 Cb -0.29 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 1cxf s PRO 554 CO 0.27 -2.09 2.23 0.00 0.04 0.00 0.00 177.00 177.44 1cxf n ALA 555 N -3.82 4.96 -2.77 8.56 0.00 -1.26 -4.61 120.51 121.57 1cxf n ALA 555 Ca 0.09 -3.17 -0.29 0.00 0.00 0.00 0.00 53.44 50.06 1cxf n ALA 555 Cb 0.53 -3.41 -0.04 0.00 0.00 0.00 0.00 19.45 16.54 1cxf n ALA 555 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1cxf s VAL 556 N 3.66 5.23 0.81 0.00 -7.23 -1.26 -5.07 120.40 116.53 1cxf s VAL 556 Ca 0.52 -0.24 -0.15 0.00 -1.81 0.00 0.00 61.98 60.30 1cxf s VAL 556 Cb 0.14 -3.67 -0.01 0.00 0.56 0.00 0.00 36.38 33.39 1cxf s VAL 556 CO -0.00 -0.03 0.50 0.00 -0.31 0.00 0.00 175.10 175.26 1cxf n ALA 557 N -0.21 -1.85 -1.69 1.32 0.00 -1.26 -4.81 120.51 112.02 1cxf n ALA 557 Ca -0.04 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 1cxf n ALA 557 Cb 0.52 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 1cxf n ALA 557 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1cxf s GLY 558 N -1.68 1.14 0.07 0.00 0.00 -1.26 -4.87 107.32 100.72 1cxf s GLY 558 Ca 0.63 1.09 -0.08 0.00 0.00 0.00 0.00 44.72 46.36 1cxf s GLY 558 CO 0.61 3.54 0.40 0.61 0.00 0.00 0.00 173.10 178.26 1cxf n GLY 559 N 4.92 1.01 3.47 0.20 0.00 -0.68 -4.40 105.19 109.70 1cxf n GLY 559 Ca 0.23 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 1cxf n GLY 559 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cxf s ASN 560 N -1.94 4.96 0.48 1.61 2.47 -1.26 0.01 114.94 121.28 1cxf s ASN 560 Ca 0.09 -0.17 0.02 0.00 0.42 0.00 0.00 52.86 53.22 1cxf s ASN 560 Cb -0.01 -1.85 -0.02 0.00 -1.45 0.00 0.00 41.25 37.91 1cxf s ASN 560 CO 0.02 0.06 0.03 -0.31 -3.72 0.00 0.00 177.10 173.18 1cxf s TYR 561 N 1.01 1.90 -0.21 0.43 1.51 0.14 -4.92 117.35 117.22 1cxf s TYR 561 Ca 0.02 -0.99 0.00 0.00 -1.01 0.00 0.00 57.07 55.09 1cxf s TYR 561 Cb -0.14 -1.54 0.02 0.00 -0.11 0.00 0.00 41.96 40.19 1cxf s TYR 561 CO 0.02 0.15 -0.13 -0.80 -1.11 0.00 0.00 175.55 173.68 1cxf s ASN 562 N -3.81 3.77 0.07 2.29 -0.87 -1.26 -2.28 114.94 112.85 1cxf s ASN 562 Ca 0.12 -0.79 -0.28 0.00 -1.57 0.00 0.00 52.86 50.33 1cxf s ASN 562 Cb 0.03 -1.57 -0.05 0.00 -0.02 0.00 0.00 41.25 39.64 1cxf s ASN 562 CO 0.06 -0.06 0.90 -0.63 -2.57 0.00 0.00 177.10 174.80 1cxf s ILE 563 N 1.29 4.64 0.12 0.60 1.09 -0.40 -1.53 121.20 127.01 1cxf s ILE 563 Ca 0.02 1.93 -0.07 0.00 -1.10 0.00 0.00 60.65 61.43 1cxf s ILE 563 Cb -0.15 -4.26 -0.01 0.00 -1.06 0.00 0.00 42.46 36.98 1cxf s ILE 563 CO -0.08 0.30 0.18 -0.75 -0.10 0.00 0.00 174.94 174.49 1cxf s LYS 564 N 0.18 0.94 0.16 2.79 2.20 -0.79 -1.65 119.74 123.57 1cxf s LYS 564 Ca 0.45 -1.13 -0.08 0.00 -0.36 0.00 0.00 55.97 54.86 1cxf s LYS 564 Cb -0.22 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.41 1cxf s LYS 564 CO 0.27 -0.30 0.25 0.14 -0.36 0.00 0.00 175.35 175.35 1cxf s VAL 565 N -3.93 0.07 -0.13 4.02 -7.23 -1.26 0.13 120.40 112.06 1cxf s VAL 565 Ca 0.12 -1.48 -0.08 0.00 -1.81 0.00 0.00 61.98 58.73 1cxf s VAL 565 Cb 0.05 -1.89 0.05 0.00 0.56 0.00 0.00 36.38 35.15 1cxf s VAL 565 CO -0.05 -0.32 0.32 0.00 -0.31 0.00 0.00 175.10 174.74 1cxf s ALA 566 N -3.98 -0.79 1.27 1.32 0.00 -0.32 0.01 121.76 119.28 1cxf s ALA 566 Ca 0.19 1.17 -0.17 0.00 0.00 0.00 0.00 51.96 53.15 1cxf s ALA 566 Cb 0.04 -0.72 0.32 0.00 0.00 0.00 0.00 23.12 22.76 1cxf s ALA 566 CO 0.01 -0.21 0.99 0.54 0.00 0.00 0.00 175.76 177.08 1cxf s ASN 567 N 1.08 0.13 0.46 0.00 2.20 -0.56 -1.44 114.94 116.80 1cxf s ASN 567 Ca -0.07 1.22 0.22 0.00 -0.94 0.00 0.00 52.86 53.28 1cxf s ASN 567 Cb -0.08 -1.85 1.21 0.00 -2.00 0.00 0.00 41.25 38.53 1cxf s ASN 567 CO -0.08 -4.68 1.87 0.00 -2.94 0.00 0.00 177.10 171.27 1cxf h ALA 568 N -2.95 2.39 0.00 3.54 0.00 -1.78 -0.95 119.26 119.51 1cxf h ALA 568 Ca -0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1cxf h ALA 568 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1cxf h ALA 568 CO 0.42 -0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.01 1cxf n ALA 569 N -2.58 2.23 -0.01 0.00 0.00 -1.26 -4.89 120.51 114.01 1cxf n ALA 569 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1cxf n ALA 569 Cb 0.76 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1cxf n ALA 569 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cxf n GLY 570 N 0.73 0.28 3.67 0.00 0.00 -0.36 -5.05 105.19 104.46 1cxf n GLY 570 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1cxf n GLY 570 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cxf s THR 571 N -2.03 3.82 0.62 2.61 2.01 -1.26 -4.81 115.64 116.60 1cxf s THR 571 Ca 0.00 1.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.99 1cxf s THR 571 Cb 0.00 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1cxf s THR 571 CO 0.00 -0.06 0.99 0.00 -0.69 0.00 0.00 174.62 174.86 1cxf s ALA 572 N 3.27 3.11 0.07 7.40 0.00 -1.26 -1.50 121.76 132.86 1cxf s ALA 572 Ca 0.65 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.29 1cxf s ALA 572 Cb -0.29 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 19.92 1cxf s ALA 572 CO 0.24 -0.80 0.06 -1.13 0.00 0.00 0.00 175.76 174.13 1cxf n SER 573 N -2.73 1.20 -4.91 0.00 3.41 0.10 -4.50 113.62 106.20 1cxf n SER 573 Ca 0.05 -1.25 -0.28 0.00 -0.26 0.00 0.00 58.87 57.13 1cxf n SER 573 Cb 0.56 -0.01 0.08 0.00 -0.26 0.00 0.00 64.21 64.58 1cxf n SER 573 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1cxf s ASN 574 N -1.43 4.72 -0.22 4.04 4.22 -1.25 -4.74 114.94 120.27 1cxf s ASN 574 Ca 0.04 0.69 -0.12 0.00 -2.14 0.00 0.00 52.86 51.33 1cxf s ASN 574 Cb -0.00 -1.28 -0.05 0.00 1.28 0.00 0.00 41.25 41.20 1cxf s ASN 574 CO 0.03 -1.73 0.24 -0.69 -2.04 0.00 0.00 177.10 172.90 1cxf s VAL 575 N -3.43 5.31 -0.45 3.54 1.01 -1.26 -4.56 120.40 120.57 1cxf s VAL 575 Ca 0.61 0.36 -0.11 0.00 0.00 0.00 0.00 61.98 62.84 1cxf s VAL 575 Cb -0.11 -3.57 0.09 0.00 0.00 0.00 0.00 36.38 32.79 1cxf s VAL 575 CO 0.48 0.33 0.31 -0.47 0.00 0.00 0.00 175.10 175.75 1cxf s TYR 576 N 1.03 3.34 0.79 5.22 6.14 -0.66 -4.97 117.35 128.24 1cxf s TYR 576 Ca 0.11 -1.49 -0.06 0.00 0.64 0.00 0.00 57.07 56.27 1cxf s TYR 576 Cb -0.14 -3.16 0.14 0.00 0.42 0.00 0.00 41.96 39.22 1cxf s TYR 576 CO 0.05 -0.88 1.10 0.16 0.64 0.00 0.00 175.55 176.61 1cxf s ASP 577 N 2.40 4.05 0.00 4.32 -4.77 -1.26 -1.27 116.67 120.14 1cxf s ASP 577 Ca 0.04 -0.03 0.00 0.00 -3.30 0.00 0.00 52.55 49.26 1cxf s ASP 577 Cb -0.24 -0.30 0.00 0.00 -1.09 0.00 0.00 42.92 41.29 1cxf s ASP 577 CO 0.02 -2.08 0.00 -3.20 0.70 0.00 0.00 175.17 170.61 1cxf n ASN 578 N -3.13 -2.06 -4.68 2.11 5.15 -1.21 -4.91 115.26 106.53 1cxf n ASN 578 Ca 0.14 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.69 1cxf n ASN 578 Cb 0.60 -0.34 -0.03 0.00 -0.53 0.00 0.00 39.78 39.48 1cxf n ASN 578 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1cxf s PHE 579 N -2.09 2.77 -0.32 1.20 5.36 -0.97 -4.84 117.98 119.10 1cxf s PHE 579 Ca 0.00 0.82 -0.10 0.00 -0.96 0.00 0.00 56.93 56.69 1cxf s PHE 579 Cb 0.00 -3.63 -0.01 0.00 -0.34 0.00 0.00 43.02 39.04 1cxf s PHE 579 CO 0.00 -2.34 0.17 -2.00 -1.46 0.00 0.00 175.22 169.59 1cxf s GLU 580 N 2.83 3.35 -0.31 10.12 2.12 -1.09 0.26 118.70 135.99 1cxf s GLU 580 Ca 0.62 -0.71 -0.20 0.00 0.36 0.00 0.00 54.97 55.04 1cxf s GLU 580 Cb -0.29 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.48 1cxf s GLU 580 CO 0.24 -0.43 0.62 0.08 -0.54 0.00 0.00 175.26 175.23 1cxf s VAL 581 N 1.63 4.95 0.97 3.70 1.01 0.10 -2.08 120.40 130.68 1cxf s VAL 581 Ca 0.05 0.83 -0.13 0.00 0.00 0.00 0.00 61.98 62.73 1cxf s VAL 581 Cb -0.17 -3.99 0.17 0.00 0.00 0.00 0.00 36.38 32.39 1cxf s VAL 581 CO 0.07 -0.14 1.12 -0.76 0.00 0.00 0.00 175.10 175.40 1cxf s LEU 582 N 2.59 1.74 0.00 3.92 1.43 0.22 -1.69 118.68 126.88 1cxf s LEU 582 Ca 0.25 1.00 0.24 0.00 -1.03 0.00 0.00 54.13 54.59 1cxf s LEU 582 Cb -0.15 -3.21 0.77 0.00 0.03 0.00 0.00 46.19 43.63 1cxf s LEU 582 CO 0.12 -2.92 1.58 -1.20 0.23 0.00 0.00 176.35 174.15 1cxf n SER 583 N -4.01 1.93 0.00 2.29 7.64 -1.26 -4.39 113.62 115.81 1cxf n SER 583 Ca 0.06 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.26 1cxf n SER 583 Cb 0.59 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1cxf n SER 583 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cxf n GLY 584 N 1.21 0.94 3.60 0.23 0.00 -1.26 -4.95 105.19 104.96 1cxf n GLY 584 Ca 0.17 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 1cxf n GLY 584 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cxf n ASP 585 N 1.82 0.90 -4.66 1.61 8.00 -1.26 -4.77 116.55 118.18 1cxf n ASP 585 Ca 0.00 0.93 -0.31 0.00 0.71 0.00 0.00 54.79 56.12 1cxf n ASP 585 Cb 0.00 -1.35 -0.09 0.00 -0.02 0.00 0.00 41.12 39.66 1cxf n ASP 585 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1cxf s GLN 586 N -2.26 2.61 0.02 -1.24 -1.52 -1.26 -0.74 119.66 115.27 1cxf s GLN 586 Ca 0.68 -0.75 0.01 0.00 -1.95 0.00 0.00 55.36 53.34 1cxf s GLN 586 Cb -0.50 -2.57 -0.02 0.00 -0.22 0.00 0.00 33.01 29.71 1cxf s GLN 586 CO 0.54 0.58 -0.04 0.14 -0.25 0.00 0.00 175.29 176.26 1cxf s VAL 587 N -1.17 0.20 -0.35 1.09 -7.23 -0.77 -4.86 120.40 107.32 1cxf s VAL 587 Ca 0.22 -0.77 -0.19 0.00 -1.81 0.00 0.00 61.98 59.43 1cxf s VAL 587 Cb -0.11 -0.30 -0.00 0.00 0.56 0.00 0.00 36.38 36.52 1cxf s VAL 587 CO 0.13 -0.37 0.56 -0.55 -0.31 0.00 0.00 175.10 174.57 1cxf s SER 588 N -1.19 6.36 -0.04 4.85 0.15 -1.26 -0.90 113.70 121.67 1cxf s SER 588 Ca -0.11 0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.65 1cxf s SER 588 Cb -0.08 -2.29 -0.02 0.00 -1.71 0.00 0.00 66.02 61.91 1cxf s SER 588 CO -0.01 -0.51 -0.17 -0.69 1.20 0.00 0.00 173.24 173.07 1cxf s VAL 589 N 2.50 2.86 -0.11 4.45 1.01 -0.06 -3.55 120.40 127.50 1cxf s VAL 589 Ca 0.21 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 1cxf s VAL 589 Cb -0.15 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1cxf s VAL 589 CO 0.14 0.59 0.17 -0.60 0.00 0.00 0.00 175.10 175.40 1cxf s ARG 590 N -0.70 3.54 -0.16 2.72 3.52 -0.06 -0.42 118.95 127.38 1cxf s ARG 590 Ca 0.11 -0.07 0.01 0.00 -0.13 0.00 0.00 55.73 55.65 1cxf s ARG 590 Cb -0.10 -3.21 0.01 0.00 -1.56 0.00 0.00 34.95 30.09 1cxf s ARG 590 CO 0.00 0.74 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.98 1cxf s PHE 591 N -0.95 2.75 -0.13 5.12 0.40 -0.12 -0.41 117.98 124.64 1cxf s PHE 591 Ca 0.16 -1.39 0.03 0.00 -0.60 0.00 0.00 56.93 55.12 1cxf s PHE 591 Cb -0.12 -1.89 0.01 0.00 0.51 0.00 0.00 43.02 41.52 1cxf s PHE 591 CO 0.05 -0.67 -0.23 0.08 0.70 0.00 0.00 175.22 175.16 1cxf s VAL 592 N 1.06 2.05 -0.11 -0.44 1.01 0.04 -1.79 120.40 122.22 1cxf s VAL 592 Ca -0.01 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.01 1cxf s VAL 592 Cb -0.14 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 1cxf s VAL 592 CO -0.06 0.55 -0.21 0.54 0.00 0.00 0.00 175.10 175.92 1cxf s VAL 593 N 0.65 2.29 0.16 2.92 0.11 -0.42 -1.02 120.40 125.09 1cxf s VAL 593 Ca -0.11 -0.94 0.03 0.00 -2.93 0.00 0.00 61.98 58.03 1cxf s VAL 593 Cb -0.16 -1.90 -0.03 0.00 -1.53 0.00 0.00 36.38 32.75 1cxf s VAL 593 CO 0.02 0.55 0.28 0.20 -3.33 0.00 0.00 175.10 172.82 1cxf s ASN 594 N 0.37 6.25 -1.23 3.54 0.01 0.12 -1.52 114.94 122.48 1cxf s ASN 594 Ca -0.16 0.13 -0.22 0.00 -0.71 0.00 0.00 52.86 51.89 1cxf s ASN 594 Cb -0.17 -1.86 0.01 0.00 0.41 0.00 0.00 41.25 39.64 1cxf s ASN 594 CO 0.08 0.04 0.64 0.59 -1.51 0.00 0.00 177.10 176.94 1cxf n ASN 595 N -0.62 -3.73 -3.90 -1.22 3.02 -0.87 -1.70 115.26 106.24 1cxf n ASN 595 Ca -0.07 -1.15 -0.33 0.00 -0.03 0.00 0.00 54.58 53.01 1cxf n ASN 595 Cb 0.54 -2.55 -0.08 0.00 -0.61 0.00 0.00 39.78 37.09 1cxf n ASN 595 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cxf n ALA 596 N -4.58 3.88 -1.44 5.41 0.00 0.52 -4.51 120.51 119.78 1cxf n ALA 596 Ca -0.15 -4.64 -0.34 0.00 0.00 0.00 0.00 53.44 48.32 1cxf n ALA 596 Cb 0.60 -1.41 0.07 0.00 0.00 0.00 0.00 19.45 18.71 1cxf n ALA 596 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1cxf s THR 597 N -1.76 2.63 0.29 0.00 -4.23 -1.26 -4.82 115.64 106.48 1cxf s THR 597 Ca 0.30 0.31 0.01 0.00 -1.18 0.00 0.00 61.69 61.13 1cxf s THR 597 Cb -0.01 -2.88 -0.00 0.00 1.34 0.00 0.00 72.50 70.95 1cxf s THR 597 CO -0.10 -0.16 0.35 0.35 -0.54 0.00 0.00 174.62 174.53 1cxf n THR 598 N -2.51 0.00 -4.14 3.99 -2.24 -1.26 -5.05 114.28 103.07 1cxf n THR 598 Ca 0.12 -1.65 -0.30 0.00 -2.27 0.00 0.00 64.05 59.96 1cxf n THR 598 Cb 0.51 0.94 -0.08 0.00 -2.10 0.00 0.00 70.33 69.60 1cxf n THR 598 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cxf s ALA 599 N -2.75 3.27 0.06 6.98 0.00 -1.26 -5.02 121.76 123.04 1cxf s ALA 599 Ca 0.27 -1.14 -0.35 0.00 0.00 0.00 0.00 51.96 50.75 1cxf s ALA 599 Cb -0.00 -1.17 -0.14 0.00 0.00 0.00 0.00 23.12 21.82 1cxf s ALA 599 CO 0.19 0.69 1.65 -0.11 0.00 0.00 0.00 175.76 178.18 1cxf n LEU 600 N 0.54 3.02 0.00 0.00 7.94 -1.26 -0.85 117.00 126.39 1cxf n LEU 600 Ca -0.11 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 1cxf n LEU 600 Cb 0.52 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.10 1cxf n LEU 600 CO 0.39 -0.31 0.00 0.61 -1.11 0.00 0.00 177.39 176.97 1cxf n GLY 601 N 3.65 3.06 3.75 -3.96 0.00 -1.26 -5.06 105.19 105.38 1cxf n GLY 601 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1cxf n GLY 601 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1cxf s GLN 602 N -0.63 3.54 0.08 1.61 -2.07 -0.03 -4.80 119.66 117.36 1cxf s GLN 602 Ca 0.00 -0.26 0.05 0.00 -1.82 0.00 0.00 55.36 53.33 1cxf s GLN 602 Cb 0.00 -3.12 -0.03 0.00 -1.09 0.00 0.00 33.01 28.77 1cxf s GLN 602 CO 0.00 0.58 -0.15 -0.80 -1.32 0.00 0.00 175.29 173.61 1cxf s ASN 603 N -0.49 1.76 0.39 12.60 0.01 -1.00 -4.43 114.94 123.78 1cxf s ASN 603 Ca 0.11 -0.64 -0.25 0.00 -0.71 0.00 0.00 52.86 51.37 1cxf s ASN 603 Cb -0.12 -0.06 -0.09 0.00 0.41 0.00 0.00 41.25 41.40 1cxf s ASN 603 CO 0.02 -0.07 1.08 -0.69 -1.51 0.00 0.00 177.10 175.93 1cxf s VAL 604 N -1.35 3.55 0.15 1.60 1.01 -1.26 -2.35 120.40 121.74 1cxf s VAL 604 Ca -0.00 1.25 -0.00 0.00 0.00 0.00 0.00 61.98 63.23 1cxf s VAL 604 Cb -0.09 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1cxf s VAL 604 CO 0.02 0.07 0.04 -0.31 0.00 0.00 0.00 175.10 174.92 1cxf s TYR 605 N -1.54 0.98 -0.01 5.22 1.51 -0.94 -0.81 117.35 121.76 1cxf s TYR 605 Ca 0.56 -1.17 0.06 0.00 -1.01 0.00 0.00 57.07 55.52 1cxf s TYR 605 Cb -0.25 -0.55 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 1cxf s TYR 605 CO 0.32 -0.42 -0.21 -1.17 -1.11 0.00 0.00 175.55 172.96 1cxf s LEU 606 N -3.09 2.39 0.02 -1.29 2.96 -0.68 -0.22 118.68 118.78 1cxf s LEU 606 Ca 0.24 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.73 1cxf s LEU 606 Cb 0.07 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.31 1cxf s LEU 606 CO 0.03 0.31 0.07 0.28 -1.32 0.00 0.00 176.35 175.72 1cxf s THR 607 N -0.73 0.12 0.12 3.68 -1.32 -0.76 -0.11 115.64 116.64 1cxf s THR 607 Ca 0.11 -0.96 -0.23 0.00 -1.21 0.00 0.00 61.69 59.41 1cxf s THR 607 Cb -0.10 -0.61 0.08 0.00 -1.51 0.00 0.00 72.50 70.35 1cxf s THR 607 CO 0.01 -0.53 1.09 0.61 -2.21 0.00 0.00 174.62 173.59 1cxf n GLY 608 N 1.16 0.50 0.06 6.08 0.00 -0.85 -1.40 105.19 110.73 1cxf n GLY 608 Ca -0.21 -1.12 0.05 0.00 0.00 0.00 0.00 46.02 44.74 1cxf n GLY 608 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cxf n SER 609 N -1.22 0.21 -4.70 1.61 3.41 -0.20 -1.24 113.62 111.49 1cxf n SER 609 Ca -0.00 0.59 -0.23 0.00 -0.26 0.00 0.00 58.87 58.96 1cxf n SER 609 Cb 0.57 -0.62 -0.06 0.00 -0.26 0.00 0.00 64.21 63.84 1cxf n SER 609 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1cxf s VAL 610 N -3.18 3.76 0.44 -3.33 -7.23 -1.26 -4.77 120.40 104.82 1cxf s VAL 610 Ca 0.01 -1.72 0.10 0.00 -1.81 0.00 0.00 61.98 58.56 1cxf s VAL 610 Cb 0.04 -3.00 0.24 0.00 0.56 0.00 0.00 36.38 34.22 1cxf s VAL 610 CO 0.14 -0.34 2.05 0.77 -0.31 0.00 0.00 175.10 177.40 1cxf h SER 611 N 1.85 0.27 0.09 4.85 4.64 -1.86 0.64 113.55 124.04 1cxf h SER 611 Ca -0.46 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1cxf h SER 611 Cb 1.24 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1cxf h SER 611 CO 0.60 0.26 0.00 -0.62 -0.87 0.00 0.00 176.83 176.20 1cxf n GLU 612 N -4.44 0.12 -0.08 4.77 4.71 -1.26 0.29 120.64 124.74 1cxf n GLU 612 Ca 0.00 0.58 0.03 0.00 -0.01 0.00 0.00 57.16 57.76 1cxf n GLU 612 Cb 0.12 -1.86 0.07 0.00 -1.01 0.00 0.00 31.44 28.77 1cxf n GLU 612 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1cxf n LEU 613 N -2.10 2.41 0.00 -4.62 4.32 0.08 -4.94 117.00 112.16 1cxf n LEU 613 Ca -0.01 -2.11 0.00 0.00 -0.02 0.00 0.00 56.01 53.88 1cxf n LEU 613 Cb 0.05 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 1cxf n LEU 613 CO 0.09 0.60 0.00 0.61 -1.22 0.00 0.00 177.39 177.47 1cxf n GLY 614 N -0.21 0.75 4.04 -0.72 0.00 0.14 -2.01 105.19 107.19 1cxf n GLY 614 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1cxf n GLY 614 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cxf n ASN 615 N 0.00 -2.88 0.00 1.61 3.02 -0.41 -0.81 115.26 115.79 1cxf n ASN 615 Ca 0.00 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 1cxf n ASN 615 Cb 0.00 -3.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 1cxf n ASN 615 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1cxf n TRP 616 N -4.47 0.00 -2.68 3.10 7.02 -0.37 -4.93 117.44 115.11 1cxf n TRP 616 Ca -0.05 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.00 1cxf n TRP 616 Cb 0.56 -0.54 -0.03 0.00 -2.42 0.00 0.00 31.31 28.88 1cxf n TRP 616 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1cxf s ASP 617 N -2.70 6.41 0.64 -0.99 -1.08 0.01 -4.87 116.67 114.08 1cxf s ASP 617 Ca 0.00 -0.06 0.37 0.00 -0.52 0.00 0.00 52.55 52.34 1cxf s ASP 617 Cb 0.00 -2.51 2.06 0.00 -1.46 0.00 0.00 42.92 41.01 1cxf s ASP 617 CO 0.00 -1.38 2.24 -0.65 0.52 0.00 0.00 175.17 175.90 1cxf h PRO 618 N 9.45 0.00 -0.37 4.34 0.11 -1.93 0.14 132.00 143.75 1cxf h PRO 618 Ca -0.25 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 1cxf h PRO 618 Cb 1.06 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1cxf h PRO 618 CO 1.15 0.00 0.05 0.00 -0.21 0.00 0.00 178.00 178.98 1cxf h ALA 619 N 1.87 1.40 -0.70 -0.75 0.00 -1.93 -2.09 119.26 117.05 1cxf h ALA 619 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1cxf h ALA 619 Cb 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1cxf h ALA 619 CO -0.00 0.43 0.00 1.63 0.00 0.00 0.00 179.25 181.31 1cxf n LYS 620 N -4.30 2.81 -0.75 0.00 5.02 0.45 -5.00 118.16 116.40 1cxf n LYS 620 Ca 0.02 -2.64 -0.32 0.00 -2.02 0.00 0.00 58.31 53.35 1cxf n LYS 620 Cb 0.22 -1.57 0.14 0.00 -0.02 0.00 0.00 35.03 33.80 1cxf n LYS 620 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cxf n ALA 621 N 1.53 -2.13 -2.67 7.82 0.00 -0.79 -4.27 120.51 120.00 1cxf n ALA 621 Ca 0.24 -0.63 -0.37 0.00 0.00 0.00 0.00 53.44 52.67 1cxf n ALA 621 Cb 0.63 -1.91 -0.08 0.00 0.00 0.00 0.00 19.45 18.08 1cxf n ALA 621 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1cxf s ILE 622 N -2.46 5.27 -3.99 0.00 -1.09 0.84 -4.90 121.20 114.87 1cxf s ILE 622 Ca 0.60 0.47 0.00 0.00 -2.23 0.00 0.00 60.65 59.49 1cxf s ILE 622 Cb -0.21 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 1cxf s ILE 622 CO 0.65 0.30 0.00 0.61 -1.23 0.00 0.00 174.94 175.26 1cxf n GLY 623 N 4.05 0.69 3.71 6.18 0.00 -1.26 -1.69 105.19 116.87 1cxf n GLY 623 Ca -0.11 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 1cxf n GLY 623 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cxf s PRO 624 N -1.60 1.47 0.82 1.61 0.04 -1.26 -5.10 135.00 130.98 1cxf s PRO 624 Ca 0.00 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 62.35 1cxf s PRO 624 Cb 0.00 -1.79 0.09 0.00 0.04 0.00 0.00 34.50 32.84 1cxf s PRO 624 CO 0.00 -2.28 1.16 -1.64 0.04 0.00 0.00 177.00 174.28 1cxf s MET 625 N -4.71 1.85 0.09 4.56 -1.94 0.01 -5.02 119.30 114.14 1cxf s MET 625 Ca 0.65 0.20 0.03 0.00 -1.71 0.00 0.00 55.69 54.87 1cxf s MET 625 Cb -0.21 -1.93 -0.04 0.00 2.01 0.00 0.00 34.83 34.66 1cxf s MET 625 CO 0.57 -1.69 0.07 0.71 -0.01 0.00 0.00 175.02 174.67 1cxf s TYR 626 N -3.47 3.16 -0.07 -0.03 2.02 -0.58 -4.81 117.35 113.57 1cxf s TYR 626 Ca 0.62 0.06 0.21 0.00 -0.37 0.00 0.00 57.07 57.59 1cxf s TYR 626 Cb -0.12 -1.60 0.39 0.00 -0.40 0.00 0.00 41.96 40.23 1cxf s TYR 626 CO 0.50 0.52 1.15 0.27 -1.57 0.00 0.00 175.55 176.42 1cxf n ASN 627 N 0.40 0.72 0.00 2.29 0.23 -1.26 -0.17 115.26 117.47 1cxf n ASN 627 Ca -0.09 -2.01 0.00 0.00 -0.53 0.00 0.00 54.58 51.95 1cxf n ASN 627 Cb 0.52 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 1cxf n ASN 627 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1cxf n GLN 628 N 0.12 0.00 0.00 -3.83 6.02 -1.07 -0.46 117.38 118.16 1cxf n GLN 628 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1cxf n GLN 628 Cb 1.01 -0.28 0.00 0.00 1.02 0.00 0.00 30.24 31.99 1cxf n GLN 628 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1cxf n VAL 629 N -2.46 0.00 0.20 5.09 0.31 -1.26 -4.47 118.33 115.73 1cxf n VAL 629 Ca 0.00 0.18 -0.17 0.00 -0.01 0.00 0.00 64.34 64.34 1cxf n VAL 629 Cb 0.00 -0.40 -0.10 0.00 -0.91 0.00 0.00 33.84 32.43 1cxf n VAL 629 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1cxf h VAL 630 N 0.00 0.02 -3.82 2.52 2.07 -1.95 -3.42 116.25 111.66 1cxf h VAL 630 Ca 0.00 0.00 -0.68 0.00 0.82 0.00 0.00 66.70 66.84 1cxf h VAL 630 Cb 0.00 0.02 -0.21 0.00 -1.52 0.00 0.00 31.29 29.58 1cxf h VAL 630 CO 0.00 0.00 -0.85 -0.31 0.02 0.00 0.00 177.57 176.43 1cxf s TYR 631 N -5.83 2.38 0.05 1.57 1.51 -1.26 -5.13 117.35 110.63 1cxf s TYR 631 Ca -0.17 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 1cxf s TYR 631 Cb 0.05 -1.27 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 1cxf s TYR 631 CO 0.61 0.36 0.16 -0.65 -1.11 0.00 0.00 175.55 174.92 1cxf s GLN 632 N -2.12 3.28 0.58 -0.62 1.11 -1.26 -2.59 119.66 118.04 1cxf s GLN 632 Ca 0.15 -0.48 -0.20 0.00 0.01 0.00 0.00 55.36 54.85 1cxf s GLN 632 Cb -0.10 -2.96 -0.04 0.00 -1.01 0.00 0.00 33.01 28.90 1cxf s GLN 632 CO 0.07 0.62 1.29 -0.47 0.01 0.00 0.00 175.29 176.81 1cxf s TYR 633 N -1.42 2.30 -0.01 0.91 6.14 0.39 0.27 117.35 125.94 1cxf s TYR 633 Ca 0.31 1.45 0.00 0.00 0.64 0.00 0.00 57.07 59.47 1cxf s TYR 633 Cb -0.13 -3.66 0.00 0.00 0.42 0.00 0.00 41.96 38.59 1cxf s TYR 633 CO 0.24 -2.63 0.99 -0.35 0.64 0.00 0.00 175.55 174.44 1cxf n PRO 634 N -1.36 0.99 -4.12 4.97 -0.04 -1.26 -5.05 135.00 129.13 1cxf n PRO 634 Ca 0.12 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.24 1cxf n PRO 634 Cb 0.47 -1.01 -0.11 0.00 -0.04 0.00 0.00 33.50 32.82 1cxf n PRO 634 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1cxf s ASN 635 N 0.99 5.23 0.14 3.54 -0.87 0.14 -0.35 114.94 123.76 1cxf s ASN 635 Ca 0.00 -0.05 0.10 0.00 -1.57 0.00 0.00 52.86 51.35 1cxf s ASN 635 Cb 0.00 -1.89 -0.04 0.00 -0.02 0.00 0.00 41.25 39.30 1cxf s ASN 635 CO 0.00 0.14 -0.23 0.26 -2.57 0.00 0.00 177.10 174.70 1cxf s TRP 636 N 0.56 2.39 0.23 2.20 0.52 -0.58 -4.06 118.94 120.21 1cxf s TRP 636 Ca 0.01 -0.33 -0.00 0.00 0.02 0.00 0.00 56.10 55.79 1cxf s TRP 636 Cb -0.13 -1.27 -0.04 0.00 -1.15 0.00 0.00 33.47 30.88 1cxf s TRP 636 CO 0.02 0.38 0.17 1.52 0.02 0.00 0.00 176.95 179.06 1cxf s TYR 637 N -1.19 1.23 0.00 -1.98 1.13 0.76 -1.30 117.35 116.01 1cxf s TYR 637 Ca 0.17 -1.40 0.00 0.00 -1.41 0.00 0.00 57.07 54.42 1cxf s TYR 637 Cb -0.10 -0.55 0.00 0.00 -1.10 0.00 0.00 41.96 40.21 1cxf s TYR 637 CO 0.08 -0.70 0.00 0.98 -2.51 0.00 0.00 175.55 173.40 1cxf n TYR 638 N -0.34 0.00 -3.31 -3.49 9.36 -0.74 -1.52 117.16 117.12 1cxf n TYR 638 Ca 0.03 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.86 1cxf n TYR 638 Cb 0.65 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.29 1cxf n TYR 638 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1cxf s ASP 639 N 0.00 6.53 -0.01 2.98 1.01 -1.26 -0.95 116.67 124.98 1cxf s ASP 639 Ca 0.00 0.63 0.04 0.00 0.71 0.00 0.00 52.55 53.93 1cxf s ASP 639 Cb 0.00 -2.27 -0.01 0.00 1.01 0.00 0.00 42.92 41.65 1cxf s ASP 639 CO 0.00 -0.12 -0.12 -0.69 0.21 0.00 0.00 175.17 174.46 1cxf s VAL 640 N 1.38 0.92 -0.30 -1.27 1.01 0.44 -3.12 120.40 119.46 1cxf s VAL 640 Ca 0.22 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 1cxf s VAL 640 Cb -0.15 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1cxf s VAL 640 CO 0.09 0.25 0.83 -0.55 0.00 0.00 0.00 175.10 175.72 1cxf s SER 641 N -0.29 6.71 0.24 3.32 0.15 -1.23 -0.88 113.70 121.71 1cxf s SER 641 Ca 0.04 0.74 0.09 0.00 0.70 0.00 0.00 55.95 57.53 1cxf s SER 641 Cb -0.05 -2.43 -0.05 0.00 -1.71 0.00 0.00 66.02 61.79 1cxf s SER 641 CO -0.00 -0.64 -0.16 0.68 1.20 0.00 0.00 173.24 174.31 1cxf s VAL 642 N 3.04 2.01 0.09 4.45 -7.23 -0.08 -4.88 120.40 117.81 1cxf s VAL 642 Ca 0.34 -2.28 -0.31 0.00 -1.81 0.00 0.00 61.98 57.92 1cxf s VAL 642 Cb -0.14 -2.16 -0.10 0.00 0.56 0.00 0.00 36.38 34.55 1cxf s VAL 642 CO 0.12 -0.51 1.89 -2.84 -0.31 0.00 0.00 175.10 173.46 1cxf s PRO 643 N -3.60 4.14 0.05 4.82 0.02 -1.26 -1.84 135.00 137.33 1cxf s PRO 643 Ca 0.26 2.62 -0.33 0.00 0.02 0.00 0.00 61.00 63.57 1cxf s PRO 643 Cb -0.02 -3.82 -0.12 0.00 0.02 0.00 0.00 34.50 30.56 1cxf s PRO 643 CO 0.10 -0.89 1.81 0.00 -0.33 0.00 0.00 177.00 177.68 1cxf n ALA 644 N 6.42 1.51 -1.19 -1.55 0.00 0.08 -2.42 120.51 123.36 1cxf n ALA 644 Ca 0.19 0.33 -0.07 0.00 0.00 0.00 0.00 53.44 53.89 1cxf n ALA 644 Cb 0.39 -2.51 -0.03 0.00 0.00 0.00 0.00 19.45 17.30 1cxf n ALA 644 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cxf n GLY 645 N 4.13 0.75 3.84 0.00 0.00 0.10 -4.88 105.19 109.13 1cxf n GLY 645 Ca 0.19 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1cxf n GLY 645 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cxf s LYS 646 N -2.22 4.04 -0.34 1.61 -0.14 -1.02 -4.57 119.74 117.09 1cxf s LYS 646 Ca 0.00 0.62 -0.17 0.00 -1.36 0.00 0.00 55.97 55.05 1cxf s LYS 646 Cb 0.00 -2.71 -0.01 0.00 -1.68 0.00 0.00 37.83 33.43 1cxf s LYS 646 CO 0.00 0.33 0.48 0.99 -0.76 0.00 0.00 175.35 176.39 1cxf s THR 647 N -1.70 5.05 0.08 2.17 2.01 -1.26 0.26 115.64 122.24 1cxf s THR 647 Ca 0.46 0.33 0.06 0.00 0.31 0.00 0.00 61.69 62.85 1cxf s THR 647 Cb -0.13 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1cxf s THR 647 CO 0.19 -0.16 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.23 1cxf s ILE 648 N 2.32 3.40 -0.10 1.82 1.01 0.11 -4.93 121.20 124.82 1cxf s ILE 648 Ca 0.18 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.68 1cxf s ILE 648 Cb -0.16 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 1cxf s ILE 648 CO 0.13 0.19 -0.11 -1.61 0.00 0.00 0.00 174.94 173.53 1cxf s GLU 649 N -1.98 3.11 0.15 2.79 2.02 -1.26 -1.06 118.70 122.46 1cxf s GLU 649 Ca 0.20 -0.65 -0.10 0.00 0.02 0.00 0.00 54.97 54.44 1cxf s GLU 649 Cb -0.11 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.52 1cxf s GLU 649 CO 0.12 0.39 0.30 -0.59 0.02 0.00 0.00 175.26 175.49 1cxf s PHE 650 N -0.09 0.23 0.16 1.61 -0.71 0.41 -1.03 117.98 118.56 1cxf s PHE 650 Ca -0.01 -0.61 -0.10 0.00 -1.04 0.00 0.00 56.93 55.18 1cxf s PHE 650 Cb -0.14 0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.69 1cxf s PHE 650 CO 0.03 -0.70 0.30 0.15 -1.34 0.00 0.00 175.22 173.66 1cxf s LYS 651 N -3.92 1.16 0.03 1.99 1.02 -0.49 -0.15 119.74 119.38 1cxf s LYS 651 Ca 0.12 -1.14 0.02 0.00 0.02 0.00 0.00 55.97 54.99 1cxf s LYS 651 Cb 0.03 0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 37.69 1cxf s LYS 651 CO -0.04 -0.43 0.06 -0.06 -0.92 0.00 0.00 175.35 173.97 1cxf s PHE 652 N -3.96 3.20 0.51 3.18 0.08 -1.26 -1.83 117.98 117.90 1cxf s PHE 652 Ca 0.16 0.12 0.03 0.00 0.12 0.00 0.00 56.93 57.36 1cxf s PHE 652 Cb 0.03 -1.67 -0.01 0.00 -0.57 0.00 0.00 43.02 40.80 1cxf s PHE 652 CO -0.01 0.52 0.10 -0.51 -0.10 0.00 0.00 175.22 175.23 1cxf s LEU 653 N -2.00 2.45 -0.19 -0.37 1.43 0.70 -1.30 118.68 119.41 1cxf s LEU 653 Ca 0.25 -1.52 -0.04 0.00 -1.03 0.00 0.00 54.13 51.79 1cxf s LEU 653 Cb -0.12 -0.88 0.09 0.00 0.03 0.00 0.00 46.19 45.31 1cxf s LEU 653 CO 0.17 -0.88 0.22 -0.54 0.23 0.00 0.00 176.35 175.55 1cxf s LYS 654 N -3.96 0.17 0.22 1.70 1.02 -1.02 -2.22 119.74 115.65 1cxf s LYS 654 Ca 0.15 0.28 0.10 0.00 0.02 0.00 0.00 55.97 56.52 1cxf s LYS 654 Cb 0.01 -1.03 -0.04 0.00 -0.52 0.00 0.00 37.83 36.25 1cxf s LYS 654 CO 0.09 -0.59 -0.09 0.15 -0.92 0.00 0.00 175.35 173.99 1cxf s LYS 655 N 2.33 2.06 -0.39 1.68 1.02 -0.99 0.14 119.74 125.59 1cxf s LYS 655 Ca 0.06 -1.39 0.04 0.00 0.02 0.00 0.00 55.97 54.70 1cxf s LYS 655 Cb -0.15 -2.10 0.16 0.00 -0.52 0.00 0.00 37.83 35.22 1cxf s LYS 655 CO -0.11 0.40 0.41 -1.14 -0.92 0.00 0.00 175.35 173.99 1cxf s GLN 656 N -3.17 0.72 3.18 1.68 0.74 -0.16 -2.37 119.66 120.28 1cxf s GLN 656 Ca 0.27 -1.00 0.00 0.00 0.05 0.00 0.00 55.36 54.69 1cxf s GLN 656 Cb -0.08 -0.71 0.00 0.00 1.10 0.00 0.00 33.01 33.33 1cxf s GLN 656 CO 0.16 -1.23 0.00 0.41 -0.55 0.00 0.00 175.29 174.08 1cxf n GLY 657 N 3.99 0.28 0.04 2.59 0.00 -1.26 -2.90 105.19 107.92 1cxf n GLY 657 Ca 0.14 -1.09 0.13 0.00 0.00 0.00 0.00 46.02 45.20 1cxf n GLY 657 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cxf n SER 658 N 2.82 0.32 -4.67 1.61 7.64 -1.26 -4.84 113.62 115.24 1cxf n SER 658 Ca 0.00 -0.10 -0.42 0.00 1.01 0.00 0.00 58.87 59.35 1cxf n SER 658 Cb 0.00 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 1cxf n SER 658 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1cxf s THR 659 N -2.82 3.91 0.08 0.44 2.01 -1.14 -5.02 115.64 113.10 1cxf s THR 659 Ca 0.18 1.19 0.09 0.00 0.31 0.00 0.00 61.69 63.46 1cxf s THR 659 Cb 0.19 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 1cxf s THR 659 CO 0.56 -0.06 -0.24 0.54 -0.69 0.00 0.00 174.62 174.74 1cxf s VAL 660 N 3.13 1.94 -0.31 3.82 0.11 -1.26 -0.99 120.40 126.84 1cxf s VAL 660 Ca 0.62 -1.47 0.01 0.00 -2.93 0.00 0.00 61.98 58.21 1cxf s VAL 660 Cb -0.28 -1.70 0.10 0.00 -1.53 0.00 0.00 36.38 32.96 1cxf s VAL 660 CO 0.23 0.14 0.07 -0.89 -3.33 0.00 0.00 175.10 171.32 1cxf s THR 661 N -0.96 1.33 0.50 5.04 2.01 0.12 -4.95 115.64 118.74 1cxf s THR 661 Ca 0.10 -1.64 -0.24 0.00 0.31 0.00 0.00 61.69 60.23 1cxf s THR 661 Cb -0.10 -1.96 -0.07 0.00 0.01 0.00 0.00 72.50 70.39 1cxf s THR 661 CO 0.04 -0.59 1.41 0.26 -0.69 0.00 0.00 174.62 175.04 1cxf s TRP 662 N 1.39 2.34 0.81 4.92 0.52 -1.26 -2.44 118.94 125.22 1cxf s TRP 662 Ca 0.08 1.30 -0.12 0.00 0.02 0.00 0.00 56.10 57.39 1cxf s TRP 662 Cb -0.18 -3.89 0.08 0.00 -1.15 0.00 0.00 33.47 28.33 1cxf s TRP 662 CO -0.18 -3.01 1.15 -2.00 0.02 0.00 0.00 176.95 172.92 1cxf s GLU 663 N -2.68 1.76 0.07 4.98 2.12 -0.42 -4.96 118.70 119.56 1cxf s GLU 663 Ca 0.66 1.49 -0.01 0.00 0.36 0.00 0.00 54.97 57.48 1cxf s GLU 663 Cb -0.43 -1.81 0.02 0.00 0.26 0.00 0.00 34.13 32.16 1cxf s GLU 663 CO 0.53 -2.07 0.09 0.41 -0.54 0.00 0.00 175.26 173.67 1cxf n GLY 664 N -0.16 -1.54 7.00 -1.50 0.00 0.19 -4.96 105.19 104.22 1cxf n GLY 664 Ca 0.11 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1cxf n GLY 664 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cxf n GLY 665 N 3.70 2.49 3.96 -0.02 0.00 -1.26 -4.78 105.19 109.29 1cxf n GLY 665 Ca 0.01 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1cxf n GLY 665 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cxf s SER 666 N -4.00 5.97 0.49 1.61 0.01 -1.26 -5.09 113.70 111.43 1cxf s SER 666 Ca 0.00 0.17 -0.20 0.00 1.31 0.00 0.00 55.95 57.23 1cxf s SER 666 Cb 0.00 -1.55 -0.08 0.00 0.21 0.00 0.00 66.02 64.60 1cxf s SER 666 CO 0.00 -0.53 1.05 0.20 0.41 0.00 0.00 173.24 174.37 1cxf s ASN 667 N -4.16 6.27 0.40 2.44 0.01 -1.26 -4.96 114.94 113.68 1cxf s ASN 667 Ca 0.45 1.98 -0.01 0.00 -0.71 0.00 0.00 52.86 54.57 1cxf s ASN 667 Cb -0.10 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 38.97 1cxf s ASN 667 CO 0.35 -0.83 0.64 -1.00 -1.51 0.00 0.00 177.10 174.75 1cxf s HIS 668 N -1.92 3.48 0.03 2.20 3.76 0.78 -4.85 115.29 118.77 1cxf s HIS 668 Ca 0.68 0.47 0.01 0.00 -0.15 0.00 0.00 55.06 56.07 1cxf s HIS 668 Cb -0.18 -2.09 -0.02 0.00 1.11 0.00 0.00 32.58 31.41 1cxf s HIS 668 CO 0.22 -0.08 -0.05 0.99 -0.85 0.00 0.00 174.74 174.96 1cxf s THR 669 N -2.49 0.34 0.23 1.30 2.01 -1.26 -0.44 115.64 115.33 1cxf s THR 669 Ca 0.43 -0.84 -0.22 0.00 0.31 0.00 0.00 61.69 61.37 1cxf s THR 669 Cb -0.10 -0.42 0.04 0.00 0.01 0.00 0.00 72.50 72.03 1cxf s THR 669 CO 0.39 -0.34 0.77 0.72 -0.69 0.00 0.00 174.62 175.48 1cxf s PHE 670 N -1.16 -0.21 -0.11 4.92 -0.71 -0.22 -4.98 117.98 115.50 1cxf s PHE 670 Ca -0.10 -0.18 0.02 0.00 -1.04 0.00 0.00 56.93 55.63 1cxf s PHE 670 Cb -0.08 0.67 0.01 0.00 -1.21 0.00 0.00 43.02 42.41 1cxf s PHE 670 CO -0.00 -1.09 -0.16 0.99 -1.34 0.00 0.00 175.22 173.62 1cxf s THR 671 N -3.73 1.56 0.62 -4.49 2.01 -1.26 0.09 115.64 110.45 1cxf s THR 671 Ca 0.10 -0.69 -0.19 0.00 0.31 0.00 0.00 61.69 61.23 1cxf s THR 671 Cb -0.04 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1cxf s THR 671 CO 0.04 0.45 1.31 0.00 -0.69 0.00 0.00 174.62 175.73 1cxf s ALA 672 N 0.92 2.48 0.91 7.40 0.00 0.14 -4.87 121.76 128.75 1cxf s ALA 672 Ca -0.08 1.25 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 1cxf s ALA 672 Cb -0.15 -3.56 0.14 0.00 0.00 0.00 0.00 23.12 19.55 1cxf s ALA 672 CO -0.01 -1.55 1.09 -2.14 0.00 0.00 0.00 175.76 173.15 1cxf s PRO 673 N -3.26 1.13 0.17 0.00 0.02 -1.26 -1.45 135.00 130.35 1cxf s PRO 673 Ca 0.80 0.77 0.19 0.00 0.02 0.00 0.00 61.00 62.78 1cxf s PRO 673 Cb -0.38 -1.80 -0.02 0.00 0.02 0.00 0.00 34.50 32.32 1cxf s PRO 673 CO 0.42 -2.31 1.06 0.66 -0.33 0.00 0.00 177.00 176.50 1cxf h SER 674 N -1.60 0.00 -5.06 2.53 4.64 -1.94 0.32 113.55 112.45 1cxf h SER 674 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1cxf h SER 674 Cb 1.29 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.29 1cxf h SER 674 CO 0.55 0.34 0.11 -0.44 -0.87 0.00 0.00 176.83 176.52 1cxf s SER 675 N -5.80 -0.30 0.48 4.97 0.01 -1.26 -4.83 113.70 106.97 1cxf s SER 675 Ca -0.00 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1cxf s SER 675 Cb 0.08 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.94 1cxf s SER 675 CO 0.78 -1.13 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1cxf n GLY 676 N -0.39 0.73 3.54 3.44 0.00 -1.26 -4.93 105.19 106.32 1cxf n GLY 676 Ca -0.09 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 1cxf n GLY 676 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cxf s THR 677 N 0.00 0.52 0.22 2.61 -4.23 -1.26 -4.08 115.64 109.42 1cxf s THR 677 Ca 0.00 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.34 1cxf s THR 677 Cb 0.00 -2.27 0.02 0.00 1.34 0.00 0.00 72.50 71.59 1cxf s THR 677 CO 0.00 0.00 0.56 0.00 -0.54 0.00 0.00 174.62 174.64 1cxf s ALA 678 N -3.16 -0.87 -0.08 3.99 0.00 -1.23 -4.87 121.76 115.53 1cxf s ALA 678 Ca 0.21 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.78 1cxf s ALA 678 Cb 0.01 0.90 0.04 0.00 0.00 0.00 0.00 23.12 24.07 1cxf s ALA 678 CO 0.14 -0.87 0.09 0.99 0.00 0.00 0.00 175.76 176.12 1cxf s THR 679 N -3.91 -0.14 -0.38 0.00 2.01 -1.26 -0.88 115.64 111.07 1cxf s THR 679 Ca 0.12 0.26 -0.12 0.00 0.31 0.00 0.00 61.69 62.26 1cxf s THR 679 Cb -0.02 -0.29 0.03 0.00 0.01 0.00 0.00 72.50 72.23 1cxf s THR 679 CO 0.02 0.05 0.23 -0.63 -0.69 0.00 0.00 174.62 173.59 1cxf s ILE 680 N 2.19 4.67 -0.15 1.82 -1.09 0.45 -4.97 121.20 124.11 1cxf s ILE 680 Ca 0.04 -0.87 -0.08 0.00 -2.23 0.00 0.00 60.65 57.52 1cxf s ILE 680 Cb -0.13 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 1cxf s ILE 680 CO -0.05 -0.27 0.13 0.21 -1.23 0.00 0.00 174.94 173.73 1cxf s ASN 681 N 1.60 6.25 0.03 3.58 3.84 -1.26 -0.78 114.94 128.20 1cxf s ASN 681 Ca 0.02 0.35 -0.24 0.00 0.21 0.00 0.00 52.86 53.20 1cxf s ASN 681 Cb -0.19 -2.06 0.06 0.00 -0.55 0.00 0.00 41.25 38.51 1cxf s ASN 681 CO 0.07 0.31 0.56 0.68 -2.79 0.00 0.00 177.10 175.93 1cxf s VAL 682 N -0.43 0.02 0.15 -5.21 -7.23 -0.19 -4.98 120.40 102.53 1cxf s VAL 682 Ca 0.12 -0.16 -0.10 0.00 -1.81 0.00 0.00 61.98 60.02 1cxf s VAL 682 Cb -0.12 -0.96 -0.06 0.00 0.56 0.00 0.00 36.38 35.80 1cxf s VAL 682 CO 0.01 -0.09 0.47 0.20 -0.31 0.00 0.00 175.10 175.39 1cxf s ASN 683 N -1.80 6.66 0.23 4.85 0.01 -1.26 0.11 114.94 123.74 1cxf s ASN 683 Ca -0.07 0.87 -0.30 0.00 -0.71 0.00 0.00 52.86 52.65 1cxf s ASN 683 Cb -0.01 -2.21 -0.09 0.00 0.41 0.00 0.00 41.25 39.36 1cxf s ASN 683 CO 0.01 0.07 1.28 0.86 -1.51 0.00 0.00 177.10 177.81 1cxf s TRP 684 N -1.57 3.26 -0.14 2.20 -0.11 -0.69 -4.79 118.94 117.11 1cxf s TRP 684 Ca 0.39 1.31 -0.10 0.00 1.22 0.00 0.00 56.10 58.92 1cxf s TRP 684 Cb -0.13 -3.58 -0.05 0.00 -1.50 0.00 0.00 33.47 28.22 1cxf s TRP 684 CO 0.20 -1.72 0.19 -0.65 -4.62 0.00 0.00 176.95 170.35 1cxf s GLN 685 N -0.50 3.86 0.00 5.86 -0.21 -1.26 -4.99 119.66 122.42 1cxf s GLN 685 Ca 0.54 -0.07 0.28 0.00 0.02 0.00 0.00 55.36 56.13 1cxf s GLN 685 Cb -0.36 -3.31 1.03 0.00 1.00 0.00 0.00 33.01 31.38 1cxf s GLN 685 CO 0.41 0.53 1.74 -2.30 -2.12 0.00 0.00 175.29 173.54