#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifs s THR 3 N 0.00 3.30 0.09 6.66 -4.23 -1.26 -4.98 115.64 115.22 3ifs s THR 3 Ca 0.00 0.64 -0.35 0.00 -1.18 0.00 0.00 61.69 60.80 3ifs s THR 3 Cb 0.00 -3.17 -0.16 0.00 1.34 0.00 0.00 72.50 70.51 3ifs s THR 3 CO 0.00 -0.34 1.57 -0.74 -0.54 0.00 0.00 174.62 174.57 3ifs h HIS 4 N 0.28 -1.33 -3.12 3.99 -0.00 -1.98 -3.37 115.15 109.63 3ifs h HIS 4 Ca -0.47 0.01 -0.61 0.00 -0.00 0.00 0.00 60.37 59.30 3ifs h HIS 4 Cb 1.25 0.52 -0.08 0.00 -0.00 0.00 0.00 27.41 29.09 3ifs h HIS 4 CO 0.54 -0.63 -0.31 0.08 -0.00 0.00 0.00 177.93 177.61 3ifs s VAL 5 N -5.89 5.27 0.23 5.26 1.01 -1.26 -4.52 120.40 120.49 3ifs s VAL 5 Ca -0.18 0.58 0.11 0.00 0.00 0.00 0.00 61.98 62.49 3ifs s VAL 5 Cb 0.05 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 3ifs s VAL 5 CO 0.61 0.47 -0.17 0.42 0.00 0.00 0.00 175.10 176.44 3ifs s THR 6 N -0.15 2.71 -0.15 3.92 -4.23 -0.83 -4.96 115.64 111.95 3ifs s THR 6 Ca 0.18 -2.06 -0.00 0.00 -1.18 0.00 0.00 61.69 58.63 3ifs s THR 6 Cb -0.14 -2.37 -0.01 0.00 1.34 0.00 0.00 72.50 71.33 3ifs s THR 6 CO 0.06 -0.24 -0.14 0.12 -0.54 0.00 0.00 174.62 173.89 3ifs s PHE 7 N -2.03 2.80 -0.21 3.99 5.36 -1.26 -0.94 117.98 125.69 3ifs s PHE 7 Ca 0.26 -0.85 0.01 0.00 -0.96 0.00 0.00 56.93 55.39 3ifs s PHE 7 Cb -0.07 -1.88 0.05 0.00 -0.34 0.00 0.00 43.02 40.78 3ifs s PHE 7 CO 0.14 -0.35 -0.09 0.34 -1.46 0.00 0.00 175.22 173.80 3ifs s ASP 8 N 0.62 3.49 0.00 6.13 2.15 0.23 -4.96 116.67 124.33 3ifs s ASP 8 Ca -0.08 -0.96 0.12 0.00 0.43 0.00 0.00 52.55 52.06 3ifs s ASP 8 Cb -0.16 -1.20 0.21 0.00 -0.30 0.00 0.00 42.92 41.48 3ifs s ASP 8 CO 0.03 -0.17 1.08 0.00 -0.17 0.00 0.00 175.17 175.93 3ifs n TYR 9 N 4.69 0.25 0.24 -5.34 0.18 -1.26 -1.33 117.16 114.59 3ifs n TYR 9 Ca -0.14 -0.25 0.09 0.00 1.88 0.00 0.00 57.90 59.48 3ifs n TYR 9 Cb 0.46 -0.01 0.66 0.00 -0.38 0.00 0.00 39.34 40.06 3ifs n TYR 9 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 3ifs h SER 10 N 2.24 0.00 0.53 9.48 4.64 -1.93 -0.78 113.55 127.73 3ifs h SER 10 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ifs h SER 10 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3ifs h SER 10 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3ifs n LYS 11 N -4.49 0.37 -0.34 4.77 4.76 -1.26 -2.83 118.16 119.14 3ifs n LYS 11 Ca -0.02 0.03 0.08 0.00 -2.87 0.00 0.00 58.31 55.53 3ifs n LYS 11 Cb 0.13 -1.50 0.23 0.00 -1.84 0.00 0.00 35.03 32.06 3ifs n LYS 11 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ifs n ALA 12 N -1.29 2.54 0.28 7.82 0.00 -0.30 -4.64 120.51 124.92 3ifs n ALA 12 Ca 0.13 -1.48 0.14 0.00 0.00 0.00 0.00 53.44 52.23 3ifs n ALA 12 Cb 0.22 -0.66 0.69 0.00 0.00 0.00 0.00 19.45 19.70 3ifs n ALA 12 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ifs h LEU 13 N 2.65 0.00 -0.09 0.00 3.38 -1.57 0.98 115.31 120.67 3ifs h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ifs h LEU 13 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3ifs h LEU 13 CO 0.09 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.08 3ifs n SER 14 N -2.53 0.45 -0.06 -0.43 3.41 -1.26 -3.55 113.62 109.65 3ifs n SER 14 Ca -0.00 0.56 -0.05 0.00 -0.26 0.00 0.00 58.87 59.11 3ifs n SER 14 Cb 0.14 -0.67 -0.11 0.00 -0.26 0.00 0.00 64.21 63.31 3ifs n SER 14 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ifs n PHE 15 N -1.94 0.00 -4.44 7.33 3.01 0.23 -4.99 117.46 116.68 3ifs n PHE 15 Ca 0.05 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.30 3ifs n PHE 15 Cb 0.35 -0.65 -0.16 0.00 -0.01 0.00 0.00 39.48 39.02 3ifs n PHE 15 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 3ifs s ILE 16 N -2.43 0.87 0.24 4.37 2.07 -0.56 -5.07 121.20 120.69 3ifs s ILE 16 Ca -0.07 -0.38 -0.14 0.00 -1.41 0.00 0.00 60.65 58.64 3ifs s ILE 16 Cb 0.05 -0.79 -0.08 0.00 0.13 0.00 0.00 42.46 41.77 3ifs s ILE 16 CO 0.58 0.28 0.64 -0.83 -1.91 0.00 0.00 174.94 173.70 3ifs s GLY 17 N 0.34 2.41 0.42 1.50 0.00 -1.26 -4.30 107.32 106.42 3ifs s GLY 17 Ca -0.06 -0.05 0.12 0.00 0.00 0.00 0.00 44.72 44.73 3ifs s GLY 17 CO 0.01 0.19 1.98 0.83 0.00 0.00 0.00 173.10 176.10 3ifs h GLU 18 N 2.86 0.47 0.00 2.90 4.39 -2.00 -0.46 114.58 122.73 3ifs h GLU 18 Ca -0.48 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.19 3ifs h GLU 18 Cb 1.18 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 3ifs h GLU 18 CO 0.66 0.31 -0.02 1.12 -1.16 0.00 0.00 179.01 179.92 3ifs h HIS 19 N 0.48 0.00 -0.09 4.33 2.07 -1.98 -1.19 115.15 118.77 3ifs h HIS 19 Ca 0.28 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.76 3ifs h HIS 19 Cb 0.47 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.44 3ifs h HIS 19 CO -0.00 0.02 -0.13 0.93 -3.07 0.00 0.00 177.93 175.67 3ifs h GLU 20 N 0.00 0.13 0.00 5.12 5.08 -1.47 0.47 114.58 123.92 3ifs h GLU 20 Ca -0.00 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3ifs h GLU 20 Cb 0.03 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3ifs h GLU 20 CO 0.00 0.27 -0.00 0.82 -1.00 0.00 0.00 179.01 179.10 3ifs h ILE 21 N 0.13 1.78 -0.88 3.13 2.04 -1.33 -3.35 117.51 119.02 3ifs h ILE 21 Ca 0.03 -2.28 0.15 0.00 1.00 0.00 0.00 64.86 63.75 3ifs h ILE 21 Cb 0.32 3.33 -0.09 0.00 -0.74 0.00 0.00 36.82 39.64 3ifs h ILE 21 CO 0.02 0.59 0.47 0.74 0.00 0.00 0.00 178.15 179.98 3ifs h THR 22 N -0.97 0.75 0.00 -0.27 2.02 -1.07 -1.10 112.91 112.26 3ifs h THR 22 Ca -0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3ifs h THR 22 Cb 0.97 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3ifs h THR 22 CO 0.00 0.12 0.00 1.88 0.37 0.00 0.00 175.52 177.89 3ifs h TYR 23 N 0.67 0.00 -0.27 3.16 0.05 -1.04 -2.46 116.97 117.08 3ifs h TYR 23 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.26 3ifs h TYR 23 Cb 0.66 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.40 3ifs h TYR 23 CO -0.07 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.32 3ifs n LEU 24 N -2.51 3.01 -0.16 3.88 4.77 -0.42 -4.57 117.00 121.00 3ifs n LEU 24 Ca -0.02 -1.23 -0.02 0.00 -0.03 0.00 0.00 56.01 54.71 3ifs n LEU 24 Cb 0.04 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.04 3ifs n LEU 24 CO 0.13 0.61 0.89 -0.09 -1.33 0.00 0.00 177.39 177.60 3ifs h ARG 25 N 4.09 0.20 -0.49 3.23 2.43 -1.54 -0.40 114.38 121.89 3ifs h ARG 25 Ca 0.00 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3ifs h ARG 25 Cb 0.89 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 3ifs h ARG 25 CO 0.00 0.13 0.06 -0.44 -1.51 0.00 0.00 179.97 178.21 3ifs h ASP 26 N 0.20 0.79 -0.44 -3.80 3.32 -1.85 0.01 116.42 114.67 3ifs h ASP 26 Ca 0.26 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 3ifs h ASP 26 Cb 0.36 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3ifs h ASP 26 CO -0.36 0.86 0.06 0.00 -1.72 0.00 0.00 179.24 178.09 3ifs h ALA 27 N 0.96 1.16 -0.32 3.45 0.00 -1.79 -1.39 119.26 121.32 3ifs h ALA 27 Ca 0.15 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3ifs h ALA 27 Cb 0.42 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ifs h ALA 27 CO 0.01 0.55 -0.11 0.28 0.00 0.00 0.00 179.25 179.99 3ifs h VAL 28 N 0.77 1.28 -0.49 0.00 2.07 -0.75 -1.89 116.25 117.24 3ifs h VAL 28 Ca 0.16 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 3ifs h VAL 28 Cb 0.37 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3ifs h VAL 28 CO 0.01 0.38 0.20 0.50 0.02 0.00 0.00 177.57 178.68 3ifs h LYS 29 N 0.41 0.73 -0.10 1.57 3.64 -0.66 0.13 116.57 122.30 3ifs h LYS 29 Ca 0.08 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 3ifs h LYS 29 Cb 0.62 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3ifs h LYS 29 CO 0.04 0.65 -0.29 -0.39 -2.27 0.00 0.00 179.45 177.19 3ifs h VAL 30 N 0.65 1.25 -0.11 2.00 -1.51 -1.25 -1.97 116.25 115.31 3ifs h VAL 30 Ca 0.16 -1.17 -0.22 0.00 -1.23 0.00 0.00 66.70 64.25 3ifs h VAL 30 Cb 0.19 1.50 0.01 0.00 -2.13 0.00 0.00 31.29 30.86 3ifs h VAL 30 CO -0.01 0.35 -0.79 0.74 -1.23 0.00 0.00 177.57 176.62 3ifs h THR 31 N 0.16 1.31 -0.86 7.19 2.02 -0.84 -2.21 112.91 119.69 3ifs h THR 31 Ca 0.02 -2.07 0.04 0.00 0.77 0.00 0.00 66.41 65.18 3ifs h THR 31 Cb 0.61 2.07 -0.06 0.00 -1.74 0.00 0.00 68.15 69.03 3ifs h THR 31 CO 0.04 0.64 0.55 -0.74 0.37 0.00 0.00 175.52 176.39 3ifs h HIS 32 N 0.43 1.02 -0.73 3.16 6.17 -0.42 -0.83 115.15 123.96 3ifs h HIS 32 Ca -0.05 0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.00 3ifs h HIS 32 Cb 1.41 -0.34 -0.03 0.00 2.52 0.00 0.00 27.41 30.97 3ifs h HIS 32 CO 0.07 0.56 0.24 0.45 0.71 0.00 0.00 177.93 179.97 3ifs h HIS 33 N 1.04 1.16 -0.81 5.26 3.86 -1.20 -1.06 115.15 123.40 3ifs h HIS 33 Ca 0.36 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 3ifs h HIS 33 Cb 0.07 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 28.16 3ifs h HIS 33 CO -0.02 0.91 0.47 0.00 0.86 0.00 0.00 177.93 180.15 3ifs h ALA 34 N 1.12 1.30 0.14 2.45 0.00 -0.64 0.36 119.26 123.98 3ifs h ALA 34 Ca 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3ifs h ALA 34 Cb 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ifs h ALA 34 CO -0.01 0.59 -0.07 0.82 0.00 0.00 0.00 179.25 180.58 3ifs h ILE 35 N 1.13 1.01 0.00 0.00 2.04 -0.97 -1.30 117.51 119.42 3ifs h ILE 35 Ca 0.29 -1.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.08 3ifs h ILE 35 Cb -0.02 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3ifs h ILE 35 CO -0.05 0.22 -0.32 0.45 0.00 0.00 0.00 178.15 178.45 3ifs h HIS 36 N -0.70 0.00 -0.02 1.37 3.86 -1.07 -2.88 115.15 115.71 3ifs h HIS 36 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3ifs h HIS 36 Cb 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 3ifs h HIS 36 CO 0.07 0.32 -0.33 0.39 0.86 0.00 0.00 177.93 179.25 3ifs n GLU 37 N -3.39 1.30 -3.62 2.45 1.02 0.13 -4.99 120.64 113.53 3ifs n GLU 37 Ca 0.00 -1.00 -0.23 0.00 -0.02 0.00 0.00 57.16 55.92 3ifs n GLU 37 Cb 0.52 -1.48 0.04 0.00 -0.02 0.00 0.00 31.44 30.50 3ifs n GLU 37 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3ifs n LYS 38 N 0.02 -3.50 0.00 3.49 5.02 -0.59 -4.92 118.16 117.69 3ifs n LYS 38 Ca 0.11 0.62 0.03 0.00 -2.02 0.00 0.00 58.31 57.04 3ifs n LYS 38 Cb 0.45 -5.00 -0.02 0.00 -0.02 0.00 0.00 35.03 30.43 3ifs n LYS 38 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3ifs n THR 39 N -4.08 0.00 -2.31 -0.18 -2.24 -0.63 -4.87 114.28 99.98 3ifs n THR 39 Ca -0.21 -0.39 -0.18 0.00 -2.27 0.00 0.00 64.05 61.00 3ifs n THR 39 Cb 0.65 1.02 0.10 0.00 -2.10 0.00 0.00 70.33 70.00 3ifs n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ifs n GLY 40 N 0.99 0.17 3.77 3.38 0.00 -1.23 -4.98 105.19 107.28 3ifs n GLY 40 Ca 0.01 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 3ifs n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifs n ALA 41 N -3.10 2.30 -1.82 4.61 0.00 -1.26 -2.30 120.51 118.95 3ifs n ALA 41 Ca -0.13 0.35 -0.14 0.00 0.00 0.00 0.00 53.44 53.52 3ifs n ALA 41 Cb 0.43 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 3ifs n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ifs n GLY 42 N 0.61 0.66 0.00 0.00 0.00 -1.26 -4.64 105.19 100.56 3ifs n GLY 42 Ca 0.02 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.74 3ifs n GLY 42 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ifs n ASN 43 N -0.46 0.00 0.04 1.61 0.23 -0.97 -1.14 115.26 114.56 3ifs n ASN 43 Ca -0.15 0.44 0.13 0.00 -0.53 0.00 0.00 54.58 54.47 3ifs n ASN 43 Cb 0.54 -0.46 0.51 0.00 -2.08 0.00 0.00 39.78 38.29 3ifs n ASN 43 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3ifs n ASP 44 N -1.46 0.25 -2.32 0.53 8.00 -1.26 -3.81 116.55 116.48 3ifs n ASP 44 Ca 0.02 0.53 -0.27 0.00 0.71 0.00 0.00 54.79 55.79 3ifs n ASP 44 Cb 0.08 -0.60 0.01 0.00 -0.02 0.00 0.00 41.12 40.60 3ifs n ASP 44 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ifs n PHE 45 N -1.75 3.15 -0.89 1.24 3.72 -0.29 -4.33 117.46 118.31 3ifs n PHE 45 Ca 0.06 -2.75 0.08 0.00 -0.05 0.00 0.00 57.45 54.79 3ifs n PHE 45 Cb 0.33 -0.27 0.25 0.00 -0.94 0.00 0.00 39.48 38.85 3ifs n PHE 45 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3ifs n LEU 46 N -0.58 3.77 0.32 4.37 4.77 -1.10 -4.61 117.00 123.94 3ifs n LEU 46 Ca 0.42 -2.89 0.19 0.00 -0.03 0.00 0.00 56.01 53.70 3ifs n LEU 46 Cb 0.76 -0.51 1.06 0.00 -2.33 0.00 0.00 43.42 42.40 3ifs n LEU 46 CO 0.38 0.68 1.14 1.23 -1.33 0.00 0.00 177.39 179.49 3ifs h GLY 47 N 1.84 0.00 2.00 -0.72 0.00 -1.27 -2.04 103.07 102.88 3ifs h GLY 47 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3ifs h GLY 47 CO 0.20 0.00 -0.03 0.11 0.00 0.00 0.00 176.54 176.82 3ifs h TRP 48 N 0.00 0.00 -0.21 5.60 5.08 -1.83 -3.04 115.95 121.56 3ifs h TRP 48 Ca -0.00 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.98 3ifs h TRP 48 Cb 0.05 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.20 3ifs h TRP 48 CO 0.00 0.03 0.10 0.28 -1.28 0.00 0.00 178.44 177.56 3ifs h VAL 49 N 0.00 0.99 -0.30 0.12 2.07 -1.74 -3.12 116.25 114.27 3ifs h VAL 49 Ca -0.00 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3ifs h VAL 49 Cb 0.73 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3ifs h VAL 49 CO 0.00 0.04 0.00 0.47 0.02 0.00 0.00 177.57 178.10 3ifs n ASP 50 N -5.01 3.01 -0.35 0.57 8.00 -1.25 -4.64 116.55 116.88 3ifs n ASP 50 Ca -0.03 -1.88 0.13 0.00 0.71 0.00 0.00 54.79 53.72 3ifs n ASP 50 Cb 0.06 -0.19 0.32 0.00 -0.02 0.00 0.00 41.12 41.29 3ifs n ASP 50 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3ifs h LEU 51 N 3.40 0.79 -2.75 0.64 5.85 -1.46 0.40 115.31 122.18 3ifs h LEU 51 Ca 0.00 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3ifs h LEU 51 Cb 0.81 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 3ifs h LEU 51 CO 0.00 0.28 -0.00 -0.65 -0.34 0.00 0.00 178.44 177.73 3ifs h PRO 52 N 0.77 0.00 0.00 5.25 0.11 -1.82 -1.57 132.00 134.74 3ifs h PRO 52 Ca 0.58 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 66.40 3ifs h PRO 52 Cb 0.89 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.95 3ifs h PRO 52 CO -0.38 0.00 -2.11 1.28 -0.21 0.00 0.00 178.00 176.58 3ifs n LEU 53 N -3.34 2.17 -0.47 2.35 4.77 -0.42 -4.66 117.00 117.39 3ifs n LEU 53 Ca -0.03 -0.08 0.13 0.00 -0.03 0.00 0.00 56.01 56.01 3ifs n LEU 53 Cb 0.09 -0.40 0.44 0.00 -2.33 0.00 0.00 43.42 41.21 3ifs n LEU 53 CO 0.23 0.71 0.78 0.00 -1.33 0.00 0.00 177.39 177.78 3ifs n GLN 54 N -2.94 1.53 -1.53 3.23 6.02 0.00 -4.99 117.38 118.70 3ifs n GLN 54 Ca -0.32 -0.95 -0.38 0.00 -0.01 0.00 0.00 57.00 55.33 3ifs n GLN 54 Cb 0.91 -1.48 0.04 0.00 1.02 0.00 0.00 30.24 30.73 3ifs n GLN 54 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 3ifs n TYR 55 N 0.10 -0.09 -1.91 1.08 4.11 -0.60 -4.83 117.16 115.02 3ifs n TYR 55 Ca 0.17 0.44 -0.43 0.00 -0.00 0.00 0.00 57.90 58.08 3ifs n TYR 55 Cb 0.38 -2.03 -0.03 0.00 -0.00 0.00 0.00 39.34 37.67 3ifs n TYR 55 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 3ifs s ASP 56 N -1.22 6.21 0.18 9.48 -1.08 -1.26 -4.91 116.67 124.08 3ifs s ASP 56 Ca 0.72 1.93 -0.05 0.00 -0.52 0.00 0.00 52.55 54.63 3ifs s ASP 56 Cb -0.43 -2.53 0.09 0.00 -1.46 0.00 0.00 42.92 38.60 3ifs s ASP 56 CO 0.51 -1.35 1.52 0.11 0.52 0.00 0.00 175.17 176.48 3ifs h LYS 57 N 11.55 0.67 -0.16 4.34 6.56 -1.98 -2.18 116.57 135.36 3ifs h LYS 57 Ca -0.39 -0.38 -0.16 0.00 -1.06 0.00 0.00 60.65 58.66 3ifs h LYS 57 Cb 1.19 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.87 3ifs h LYS 57 CO 0.98 0.99 -0.56 1.05 -2.06 0.00 0.00 179.45 179.85 3ifs h GLU 58 N 0.53 0.49 -0.64 3.15 4.11 -2.00 -2.51 114.58 117.71 3ifs h GLU 58 Ca 0.03 -0.31 -0.07 0.00 0.07 0.00 0.00 59.36 59.07 3ifs h GLU 58 Cb 1.02 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 3ifs h GLU 58 CO 0.10 0.92 0.12 1.49 0.07 0.00 0.00 179.01 181.71 3ifs h GLU 59 N 0.37 1.05 -0.73 1.06 4.81 -1.96 -2.12 114.58 117.06 3ifs h GLU 59 Ca 0.00 -0.27 0.04 0.00 -0.13 0.00 0.00 59.36 59.00 3ifs h GLU 59 Cb 1.09 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.30 3ifs h GLU 59 CO 0.10 0.96 0.45 0.35 -0.73 0.00 0.00 179.01 180.15 3ifs h PHE 60 N 0.97 0.84 -0.56 0.92 3.04 -1.22 0.17 116.94 121.10 3ifs h PHE 60 Ca 0.20 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.11 3ifs h PHE 60 Cb 0.41 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 3ifs h PHE 60 CO 0.03 0.46 0.10 0.00 -2.02 0.00 0.00 178.31 176.88 3ifs h ALA 61 N 1.33 1.12 -0.07 2.41 0.00 -1.19 -2.33 119.26 120.53 3ifs h ALA 61 Ca 0.30 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3ifs h ALA 61 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3ifs h ALA 61 CO -0.13 0.58 -0.49 -0.09 0.00 0.00 0.00 179.25 179.12 3ifs h ARG 62 N 0.84 0.19 -0.35 0.00 2.43 -0.61 -0.23 114.38 116.65 3ifs h ARG 62 Ca 0.18 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3ifs h ARG 62 Cb 0.36 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3ifs h ARG 62 CO 0.01 0.64 0.19 0.82 -1.51 0.00 0.00 179.97 180.11 3ifs h ILE 63 N 0.15 1.15 -0.71 1.20 2.04 -0.58 0.19 117.51 120.95 3ifs h ILE 63 Ca 0.01 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 3ifs h ILE 63 Cb 0.92 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3ifs h ILE 63 CO 0.07 0.15 0.36 1.56 0.00 0.00 0.00 178.15 180.30 3ifs h GLN 64 N 0.44 1.02 -0.45 2.37 4.20 -1.04 0.99 115.11 122.63 3ifs h GLN 64 Ca 0.12 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 3ifs h GLN 64 Cb 0.07 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3ifs h GLN 64 CO -0.02 0.78 0.10 -0.22 -0.67 0.00 0.00 178.83 178.81 3ifs h LYS 65 N 0.99 0.72 -0.56 1.46 3.64 -0.59 -1.48 116.57 120.75 3ifs h LYS 65 Ca 0.25 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 3ifs h LYS 65 Cb 0.08 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3ifs h LYS 65 CO -0.03 0.72 -0.06 0.00 -2.27 0.00 0.00 179.45 177.81 3ifs h ALA 67 N 1.00 0.90 -0.76 0.00 0.00 -0.63 -0.44 119.26 119.34 3ifs h ALA 67 Ca 0.15 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3ifs h ALA 67 Cb 0.61 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3ifs h ALA 67 CO 0.04 0.31 0.50 0.93 0.00 0.00 0.00 179.25 181.03 3ifs h GLU 68 N 0.95 1.00 -0.19 0.00 5.08 -0.99 -0.80 114.58 119.62 3ifs h GLU 68 Ca 0.26 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3ifs h GLU 68 Cb -0.09 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 3ifs h GLU 68 CO -0.06 0.66 0.03 -0.22 -1.00 0.00 0.00 179.01 178.42 3ifs h LYS 69 N 1.03 0.32 -0.15 2.33 3.64 -0.92 -2.16 116.57 120.66 3ifs h LYS 69 Ca 0.28 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3ifs h LYS 69 Cb -0.11 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3ifs h LYS 69 CO -0.06 0.48 0.10 0.82 -2.27 0.00 0.00 179.45 178.52 3ifs h ILE 70 N 0.12 1.05 0.00 2.00 2.04 -0.80 -1.36 117.51 120.55 3ifs h ILE 70 Ca 0.06 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3ifs h ILE 70 Cb 0.31 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3ifs h ILE 70 CO 0.00 0.05 -0.06 0.11 0.00 0.00 0.00 178.15 178.25 3ifs h LYS 71 N 0.19 0.00 -0.01 2.37 1.57 -1.10 -0.27 116.57 119.32 3ifs h LYS 71 Ca 0.06 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.58 3ifs h LYS 71 Cb -0.01 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.32 3ifs h LYS 71 CO -0.01 0.06 -1.00 -0.97 -0.57 0.00 0.00 179.45 176.96 3ifs h ASN 72 N 0.00 0.82 -0.15 0.86 -1.24 -0.69 -3.38 115.58 111.80 3ifs h ASN 72 Ca -0.00 -0.65 0.00 0.00 0.71 0.00 0.00 56.30 56.36 3ifs h ASN 72 Cb 0.13 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.93 3ifs h ASN 72 CO 0.01 1.45 0.00 -0.90 -1.29 0.00 0.00 177.43 176.70 3ifs n ASP 73 N -3.83 2.36 -3.94 1.15 5.68 -0.58 -5.02 116.55 112.37 3ifs n ASP 73 Ca -0.10 -1.95 -0.18 0.00 -0.50 0.00 0.00 54.79 52.06 3ifs n ASP 73 Cb 0.86 -0.10 -0.15 0.00 -1.14 0.00 0.00 41.12 40.59 3ifs n ASP 73 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3ifs s SER 74 N -0.97 0.77 0.07 -1.12 0.01 -0.14 -4.65 113.70 107.67 3ifs s SER 74 Ca 0.10 -0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.26 3ifs s SER 74 Cb 0.05 -0.21 -0.26 0.00 0.21 0.00 0.00 66.02 65.82 3ifs s SER 74 CO 0.07 0.02 1.11 0.44 0.41 0.00 0.00 173.24 175.29 3ifs h ASP 75 N 6.46 0.26 -4.00 2.44 3.32 -1.46 -3.41 116.42 120.03 3ifs h ASP 75 Ca -0.33 -0.30 -0.38 0.00 0.02 0.00 0.00 57.03 56.05 3ifs h ASP 75 Cb 1.17 -0.08 -0.29 0.00 0.22 0.00 0.00 39.33 40.35 3ifs h ASP 75 CO 0.49 1.24 -0.77 -0.63 -1.72 0.00 0.00 179.24 177.84 3ifs s ILE 76 N -2.66 0.65 -0.24 0.35 1.01 -0.99 -1.18 121.20 118.13 3ifs s ILE 76 Ca -0.03 -0.35 -0.04 0.00 0.00 0.00 0.00 60.65 60.23 3ifs s ILE 76 Cb 0.08 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 42.01 3ifs s ILE 76 CO 0.85 0.18 -0.03 -0.22 0.00 0.00 0.00 174.94 175.73 3ifs s LEU 77 N -0.19 3.11 -0.29 2.97 2.96 0.22 -2.00 118.68 125.46 3ifs s LEU 77 Ca 0.03 -0.57 -0.17 0.00 -0.22 0.00 0.00 54.13 53.20 3ifs s LEU 77 Cb -0.03 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 3ifs s LEU 77 CO -0.00 -0.07 0.48 -0.76 -1.32 0.00 0.00 176.35 174.67 3ifs s LEU 78 N 1.44 4.14 -0.23 -0.68 1.43 0.09 -0.98 118.68 123.89 3ifs s LEU 78 Ca 0.04 0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 53.30 3ifs s LEU 78 Cb -0.15 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 3ifs s LEU 78 CO -0.03 -0.32 0.27 -0.69 0.23 0.00 0.00 176.35 175.82 3ifs s VAL 79 N 2.27 5.28 -0.33 -1.59 1.01 0.54 -0.50 120.40 127.08 3ifs s VAL 79 Ca 0.19 0.42 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 3ifs s VAL 79 Cb -0.16 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.66 3ifs s VAL 79 CO 0.11 0.29 0.07 -0.69 0.00 0.00 0.00 175.10 174.87 3ifs s VAL 80 N 1.29 3.57 0.00 2.92 1.01 0.14 -0.46 120.40 128.87 3ifs s VAL 80 Ca 0.13 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.93 3ifs s VAL 80 Cb -0.14 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3ifs s VAL 80 CO 0.07 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.64 3ifs n GLY 81 N 4.76 -0.32 3.24 4.51 0.00 -0.81 -0.45 105.19 116.13 3ifs n GLY 81 Ca -0.13 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 3ifs n GLY 81 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ifs s ILE 82 N -2.00 0.11 0.00 -0.61 2.07 -1.26 -2.81 121.20 116.69 3ifs s ILE 82 Ca 0.00 -0.87 0.00 0.00 -1.41 0.00 0.00 60.65 58.37 3ifs s ILE 82 Cb 0.00 -1.15 0.00 0.00 0.13 0.00 0.00 42.46 41.44 3ifs s ILE 82 CO 0.00 -0.48 0.00 0.61 -1.91 0.00 0.00 174.94 173.16 3ifs n GLY 83 N 0.14 3.56 0.30 1.50 0.00 -1.26 -2.26 105.19 107.17 3ifs n GLY 83 Ca -0.17 -0.08 0.16 0.00 0.00 0.00 0.00 46.02 45.94 3ifs n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ifs h GLY 84 N 0.00 0.00 -0.48 -0.02 0.00 -1.96 0.62 103.07 101.22 3ifs h GLY 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ifs h GLY 84 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 3ifs n SER 85 N -3.57 1.19 0.01 0.19 7.64 -0.96 -4.35 113.62 113.78 3ifs n SER 85 Ca -0.02 -1.68 0.00 0.00 1.01 0.00 0.00 58.87 58.17 3ifs n SER 85 Cb 0.13 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 3ifs n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ifs n TYR 86 N 0.03 -0.16 -0.19 1.43 9.36 -0.34 -4.46 117.16 122.83 3ifs n TYR 86 Ca 0.14 0.03 -0.08 0.00 3.32 0.00 0.00 57.90 61.32 3ifs n TYR 86 Cb 0.24 0.26 0.02 0.00 -0.63 0.00 0.00 39.34 39.24 3ifs n TYR 86 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3ifs h LEU 87 N 0.00 0.73 -0.35 2.98 3.38 -1.14 -2.53 115.31 118.37 3ifs h LEU 87 Ca 0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3ifs h LEU 87 Cb 0.43 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3ifs h LEU 87 CO 0.00 0.67 0.22 1.23 0.09 0.00 0.00 178.44 180.64 3ifs h GLY 88 N 0.74 0.51 0.96 0.83 0.00 -1.80 -0.33 103.07 103.97 3ifs h GLY 88 Ca 0.19 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 3ifs h GLY 88 CO -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 176.54 176.71 3ifs h ALA 89 N 1.10 0.55 -0.42 3.60 0.00 -1.86 -2.41 119.26 119.82 3ifs h ALA 89 Ca 0.13 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3ifs h ALA 89 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3ifs h ALA 89 CO -0.02 0.34 -0.09 -0.09 0.00 0.00 0.00 179.25 179.38 3ifs h ARG 90 N 0.56 0.74 -0.32 0.00 2.43 -1.31 0.81 114.38 117.30 3ifs h ARG 90 Ca 0.11 -0.23 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3ifs h ARG 90 Cb 0.50 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3ifs h ARG 90 CO 0.02 0.82 0.20 0.00 -1.51 0.00 0.00 179.97 179.50 3ifs h ALA 91 N 1.22 0.40 -0.23 2.80 0.00 -0.89 -0.69 119.26 121.87 3ifs h ALA 91 Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3ifs h ALA 91 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3ifs h ALA 91 CO 0.03 -0.16 -0.12 0.00 0.00 0.00 0.00 179.25 179.00 3ifs h ALA 92 N 1.13 0.32 -0.29 0.00 0.00 -1.13 -3.22 119.26 116.06 3ifs h ALA 92 Ca 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ifs h ALA 92 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ifs h ALA 92 CO -0.04 0.18 0.19 0.82 0.00 0.00 0.00 179.25 180.40 3ifs h ILE 93 N 0.19 1.07 0.00 0.00 2.04 -0.72 -1.72 117.51 118.38 3ifs h ILE 93 Ca 0.05 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3ifs h ILE 93 Cb 0.63 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3ifs h ILE 93 CO 0.04 0.07 0.00 -0.62 0.00 0.00 0.00 178.15 177.64 3ifs n GLU 94 N -4.89 0.77 0.00 2.37 1.02 -0.28 -2.10 120.64 117.54 3ifs n GLU 94 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3ifs n GLU 94 Cb 0.02 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 3ifs n GLU 94 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ifs n LEU 96 N 1.10 0.00 -4.80 -4.62 4.77 -0.65 -4.80 117.00 108.00 3ifs n LEU 96 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 3ifs n LEU 96 Cb 0.39 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.42 3ifs n LEU 96 CO 0.00 0.00 -0.09 0.20 -1.33 0.00 0.00 177.39 176.17 3ifs s ASN 97 N 0.00 4.77 0.24 -1.43 -0.87 -0.89 -5.06 114.94 111.70 3ifs s ASN 97 Ca 0.00 -0.87 -0.28 0.00 -1.57 0.00 0.00 52.86 50.14 3ifs s ASN 97 Cb 0.00 -0.57 -0.16 0.00 -0.02 0.00 0.00 41.25 40.50 3ifs s ASN 97 CO 0.00 -0.55 0.78 1.57 -2.57 0.00 0.00 177.10 176.32 3ifs n HIS 98 N -1.37 0.40 0.10 2.20 -0.00 -1.26 -4.83 115.22 110.47 3ifs n HIS 98 Ca 0.01 0.84 0.20 0.00 -0.00 0.00 0.00 57.72 58.76 3ifs n HIS 98 Cb 0.63 -2.11 0.76 0.00 -0.00 0.00 0.00 29.99 29.27 3ifs n HIS 98 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 3ifs h SER 99 N 1.57 0.00 -0.26 0.26 0.02 -1.98 -1.63 113.55 111.53 3ifs h SER 99 Ca -0.34 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.41 3ifs h SER 99 Cb 1.39 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.76 3ifs h SER 99 CO 0.59 0.00 -0.65 0.49 -1.14 0.00 0.00 176.83 176.13 3ifs n PHE 100 N -3.85 0.95 -0.15 3.45 3.01 -1.26 -4.94 117.46 114.66 3ifs n PHE 100 Ca 0.06 -1.71 -0.04 0.00 1.01 0.00 0.00 57.45 56.77 3ifs n PHE 100 Cb 0.54 -0.27 -0.04 0.00 -0.01 0.00 0.00 39.48 39.70 3ifs n PHE 100 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 3ifs n TYR 101 N -0.90 -0.16 0.31 1.38 9.36 -0.62 -0.35 117.16 126.19 3ifs n TYR 101 Ca 0.26 0.45 0.16 0.00 3.32 0.00 0.00 57.90 62.10 3ifs n TYR 101 Cb 0.81 -0.46 0.62 0.00 -0.63 0.00 0.00 39.34 39.68 3ifs n TYR 101 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 3ifs h ASN 102 N 0.00 0.00 1.10 2.98 2.35 -1.92 -3.02 115.58 117.07 3ifs h ASN 102 Ca 0.06 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.63 3ifs h ASN 102 Cb 0.15 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 3ifs h ASN 102 CO -0.34 0.00 -0.92 0.74 -1.65 0.00 0.00 177.43 175.25 3ifs h THR 103 N 0.00 1.35 -4.10 2.81 2.02 -1.09 -3.46 112.91 110.43 3ifs h THR 103 Ca 0.00 -2.95 -0.51 0.00 0.77 0.00 0.00 66.41 63.72 3ifs h THR 103 Cb 0.50 2.66 0.20 0.00 -1.74 0.00 0.00 68.15 69.77 3ifs h THR 103 CO 0.00 0.77 0.19 -0.76 0.37 0.00 0.00 175.52 176.09 3ifs s LEU 104 N -6.55 2.52 0.69 2.58 1.43 -0.61 -5.00 118.68 113.74 3ifs s LEU 104 Ca 0.01 2.09 -0.11 0.00 -1.03 0.00 0.00 54.13 55.09 3ifs s LEU 104 Cb 0.09 -4.38 0.00 0.00 0.03 0.00 0.00 46.19 41.93 3ifs s LEU 104 CO 0.80 -3.29 1.06 -0.94 0.23 0.00 0.00 176.35 174.21 3ifs s SER 105 N -2.64 5.57 0.21 2.29 1.04 -1.26 -4.85 113.70 114.06 3ifs s SER 105 Ca 0.67 1.40 -0.10 0.00 0.48 0.00 0.00 55.95 58.39 3ifs s SER 105 Cb -0.23 -2.30 0.30 0.00 0.10 0.00 0.00 66.02 63.89 3ifs s SER 105 CO 0.59 -1.29 1.67 0.11 0.98 0.00 0.00 173.24 175.30 3ifs h LYS 106 N -0.61 0.15 -0.00 4.02 1.57 -1.96 -0.58 116.57 119.15 3ifs h LYS 106 Ca -0.45 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3ifs h LYS 106 Cb 1.22 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 3ifs h LYS 106 CO 0.61 0.10 0.00 0.93 -0.57 0.00 0.00 179.45 180.51 3ifs h GLU 107 N 0.15 0.00 0.00 3.15 3.07 -1.99 -2.58 114.58 116.37 3ifs h GLU 107 Ca 0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 3ifs h GLU 107 Cb 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 3ifs h GLU 107 CO -0.50 0.00 -1.70 1.04 -1.40 0.00 0.00 179.01 176.45 3ifs n GLN 108 N -3.66 0.59 0.10 2.33 6.02 -0.30 -4.61 117.38 117.85 3ifs n GLN 108 Ca -0.03 -0.12 -0.20 0.00 -0.01 0.00 0.00 57.00 56.65 3ifs n GLN 108 Cb 0.08 -1.58 -0.15 0.00 1.02 0.00 0.00 30.24 29.61 3ifs n GLN 108 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3ifs h ARG 109 N 0.00 0.36 0.00 -1.09 2.43 -0.93 -3.48 114.38 111.67 3ifs h ARG 109 Ca 0.00 -0.62 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 3ifs h ARG 109 Cb 0.96 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3ifs h ARG 109 CO 0.00 1.27 0.00 1.63 -1.51 0.00 0.00 179.97 181.36 3ifs n LYS 110 N -3.57 0.00 -4.12 0.20 4.01 -1.23 -4.95 118.16 108.50 3ifs n LYS 110 Ca -0.15 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.56 3ifs n LYS 110 Cb 1.06 -1.59 -0.10 0.00 -0.51 0.00 0.00 35.03 33.89 3ifs n LYS 110 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3ifs s THR 111 N -1.53 0.22 0.62 -0.18 -4.23 -1.26 -5.08 115.64 104.19 3ifs s THR 111 Ca 0.00 -1.86 -0.18 0.00 -1.18 0.00 0.00 61.69 58.47 3ifs s THR 111 Cb 0.00 -1.74 -0.02 0.00 1.34 0.00 0.00 72.50 72.08 3ifs s THR 111 CO 0.00 -0.78 1.24 -2.84 -0.54 0.00 0.00 174.62 171.70 3ifs s PRO 112 N -3.96 2.77 0.50 3.99 0.02 -1.26 -4.98 135.00 132.08 3ifs s PRO 112 Ca 0.14 1.92 -0.22 0.00 0.02 0.00 0.00 61.00 62.87 3ifs s PRO 112 Cb 0.08 -1.89 -0.06 0.00 0.02 0.00 0.00 34.50 32.64 3ifs s PRO 112 CO -0.05 -1.39 1.18 -0.65 -0.33 0.00 0.00 177.00 175.76 3ifs s GLN 113 N -3.37 3.52 -0.27 5.54 -0.21 -0.32 -4.76 119.66 119.80 3ifs s GLN 113 Ca 0.79 1.78 0.03 0.00 0.02 0.00 0.00 55.36 57.98 3ifs s GLN 113 Cb -0.33 -2.24 0.06 0.00 1.00 0.00 0.00 33.01 31.50 3ifs s GLN 113 CO 0.36 -0.75 -0.10 0.08 -2.12 0.00 0.00 175.29 172.77 3ifs s VAL 114 N -1.59 2.23 0.01 1.09 1.01 -1.26 -0.61 120.40 121.28 3ifs s VAL 114 Ca 0.68 -1.65 0.04 0.00 0.00 0.00 0.00 61.98 61.05 3ifs s VAL 114 Cb -0.29 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 3ifs s VAL 114 CO 0.34 -0.06 -0.09 -0.76 0.00 0.00 0.00 175.10 174.53 3ifs s LEU 115 N 1.10 3.05 -0.09 3.92 1.43 -0.15 -4.98 118.68 122.97 3ifs s LEU 115 Ca -0.08 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3ifs s LEU 115 Cb -0.20 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 3ifs s LEU 115 CO -0.05 0.28 -0.01 -0.36 0.23 0.00 0.00 176.35 176.44 3ifs s PHE 116 N -0.97 3.11 0.10 0.29 0.40 -1.26 -0.34 117.98 119.30 3ifs s PHE 116 Ca 0.16 0.13 -0.08 0.00 -0.60 0.00 0.00 56.93 56.55 3ifs s PHE 116 Cb -0.11 -1.79 -0.01 0.00 0.51 0.00 0.00 43.02 41.63 3ifs s PHE 116 CO 0.07 0.41 0.17 0.54 0.70 0.00 0.00 175.22 177.11 3ifs s VAL 117 N -0.78 0.14 0.00 -0.44 0.11 0.39 -4.85 120.40 114.96 3ifs s VAL 117 Ca 0.12 -1.32 0.00 0.00 -2.93 0.00 0.00 61.98 57.85 3ifs s VAL 117 Cb -0.11 -1.47 0.00 0.00 -1.53 0.00 0.00 36.38 33.26 3ifs s VAL 117 CO 0.02 -0.62 0.00 0.61 -3.33 0.00 0.00 175.10 171.78 3ifs n GLY 118 N -0.07 0.64 0.68 6.54 0.00 -1.26 -1.92 105.19 109.80 3ifs n GLY 118 Ca -0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.02 3ifs n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ifs n GLN 119 N -2.68 1.88 -3.62 1.61 0.00 -1.12 -2.95 117.38 110.49 3ifs n GLN 119 Ca 0.00 -1.37 -0.12 0.00 0.00 0.00 0.00 57.00 55.51 3ifs n GLN 119 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 30.24 28.74 3ifs n GLN 119 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 3ifs n ASN 120 N 0.63 -1.18 -2.38 2.61 0.23 -1.26 -4.93 115.26 108.98 3ifs n ASN 120 Ca 0.16 -2.61 -0.17 0.00 -0.53 0.00 0.00 54.58 51.42 3ifs n ASN 120 Cb 0.47 2.19 0.02 0.00 -2.08 0.00 0.00 39.78 40.39 3ifs n ASN 120 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 3ifs n ILE 121 N -0.49 2.03 -3.41 1.53 5.41 -1.26 -4.87 119.36 118.30 3ifs n ILE 121 Ca 0.00 -3.92 -0.42 0.00 1.00 0.00 0.00 62.75 59.41 3ifs n ILE 121 Cb 0.50 -0.38 -0.09 0.00 -0.71 0.00 0.00 39.64 38.96 3ifs n ILE 121 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3ifs s SER 122 N -3.59 6.15 0.36 4.38 0.15 -1.26 -4.95 113.70 114.95 3ifs s SER 122 Ca 0.42 -0.46 0.16 0.00 0.70 0.00 0.00 55.95 56.76 3ifs s SER 122 Cb 0.39 -2.19 0.65 0.00 -1.71 0.00 0.00 66.02 63.16 3ifs s SER 122 CO -0.03 -0.40 1.74 0.77 1.20 0.00 0.00 173.24 176.53 3ifs h SER 123 N 8.56 0.00 -0.31 5.45 4.64 -2.05 -2.99 113.55 126.85 3ifs h SER 123 Ca -0.29 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.99 3ifs h SER 123 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3ifs h SER 123 CO 0.71 0.43 0.03 0.74 -0.87 0.00 0.00 176.83 177.87 3ifs h THR 124 N 0.00 1.25 0.00 2.95 2.02 -2.05 0.14 112.91 117.22 3ifs h THR 124 Ca -0.00 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.30 3ifs h THR 124 Cb 0.87 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3ifs h THR 124 CO 0.06 0.28 0.00 0.00 0.37 0.00 0.00 175.52 176.23 3ifs n TYR 125 N -4.59 0.00 0.00 3.16 4.19 -1.13 -1.21 117.16 117.58 3ifs n TYR 125 Ca -0.02 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.19 3ifs n TYR 125 Cb 0.24 -0.01 0.00 0.00 0.49 0.00 0.00 39.34 40.05 3ifs n TYR 125 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 3ifs n LYS 127 N 0.35 0.00 -0.04 2.98 3.00 0.48 -0.76 118.16 124.17 3ifs n LYS 127 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.29 3ifs n LYS 127 Cb 0.03 0.00 0.23 0.00 0.00 0.00 0.00 35.03 35.29 3ifs n LYS 127 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3ifs h ASP 128 N 0.00 0.60 0.00 3.14 3.32 -1.37 -3.14 116.42 118.97 3ifs h ASP 128 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3ifs h ASP 128 Cb 0.00 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.39 3ifs h ASP 128 CO 0.00 0.69 0.00 -0.11 -1.72 0.00 0.00 179.24 178.10 3ifs n LEU 129 N -4.24 0.51 0.00 1.55 7.94 0.06 -3.29 117.00 119.54 3ifs n LEU 129 Ca 0.02 -0.24 0.00 0.00 -1.11 0.00 0.00 56.01 54.68 3ifs n LEU 129 Cb 0.28 -0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.13 3ifs n LEU 129 CO 0.40 0.09 0.00 0.47 -1.11 0.00 0.00 177.39 177.25 3ifs n ASP 131 N 1.52 0.00 0.12 1.96 8.00 -1.19 -2.09 116.55 124.88 3ifs n ASP 131 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 3ifs n ASP 131 Cb 0.06 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.31 3ifs n ASP 131 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3ifs h VAL 132 N 0.00 1.43 0.00 2.53 2.07 -1.89 -3.14 116.25 117.26 3ifs h VAL 132 Ca 0.00 -2.10 -0.08 0.00 0.82 0.00 0.00 66.70 65.34 3ifs h VAL 132 Cb 0.00 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3ifs h VAL 132 CO 0.00 0.61 -0.37 -0.07 0.02 0.00 0.00 177.57 177.75 3ifs h LEU 133 N 0.05 0.00 -9.19 2.57 3.38 -1.75 -3.45 115.31 106.92 3ifs h LEU 133 Ca -0.01 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 3ifs h LEU 133 Cb 1.11 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.88 3ifs h LEU 133 CO 0.09 0.37 0.95 1.21 0.09 0.00 0.00 178.44 181.15 3ifs n GLU 134 N -3.43 1.48 -1.13 1.13 2.13 -1.19 -1.16 120.64 118.48 3ifs n GLU 134 Ca 0.00 0.54 -0.04 0.00 0.66 0.00 0.00 57.16 58.32 3ifs n GLU 134 Cb 0.55 -2.28 -0.02 0.00 0.27 0.00 0.00 31.44 29.96 3ifs n GLU 134 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ifs n GLY 135 N 4.19 0.70 3.31 8.31 0.00 -1.26 -5.02 105.19 115.42 3ifs n GLY 135 Ca 0.25 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 3ifs n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ifs s LYS 136 N -1.88 1.20 0.13 1.61 -0.14 -0.31 -5.13 119.74 115.22 3ifs s LYS 136 Ca 0.00 -1.26 -0.25 0.00 -1.36 0.00 0.00 55.97 53.10 3ifs s LYS 136 Cb 0.00 -1.41 -0.07 0.00 -1.68 0.00 0.00 37.83 34.67 3ifs s LYS 136 CO 0.00 0.31 0.76 -0.51 -0.76 0.00 0.00 175.35 175.15 3ifs s ASP 137 N -2.18 7.32 0.14 2.83 1.01 -1.26 -4.97 116.67 119.56 3ifs s ASP 137 Ca 0.10 1.57 -0.07 0.00 0.71 0.00 0.00 52.55 54.86 3ifs s ASP 137 Cb -0.09 -2.48 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 3ifs s ASP 137 CO 0.05 0.17 0.21 0.72 0.21 0.00 0.00 175.17 176.53 3ifs s PHE 138 N -0.87 0.47 0.18 4.23 -0.12 -1.26 -1.21 117.98 119.39 3ifs s PHE 138 Ca 0.36 -0.85 0.04 0.00 -0.05 0.00 0.00 56.93 56.43 3ifs s PHE 138 Cb -0.22 -0.16 -0.05 0.00 -0.63 0.00 0.00 43.02 41.96 3ifs s PHE 138 CO 0.25 -0.64 -0.07 -1.12 -0.05 0.00 0.00 175.22 173.59 3ifs s SER 139 N -2.97 1.88 -0.07 1.98 0.01 -0.85 -4.97 113.70 108.71 3ifs s SER 139 Ca 0.17 -1.08 0.03 0.00 1.31 0.00 0.00 55.95 56.38 3ifs s SER 139 Cb 0.05 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.26 3ifs s SER 139 CO -0.02 -0.38 -0.18 -0.63 0.41 0.00 0.00 173.24 172.45 3ifs s ILE 140 N -3.33 1.55 -0.35 1.44 1.01 -0.00 -0.73 121.20 120.79 3ifs s ILE 140 Ca 0.21 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 60.14 3ifs s ILE 140 Cb 0.03 -1.36 0.10 0.00 0.01 0.00 0.00 42.46 41.24 3ifs s ILE 140 CO 0.04 0.45 0.08 0.21 0.00 0.00 0.00 174.94 175.71 3ifs s ASN 141 N 0.40 4.90 -0.19 3.58 3.04 0.35 -0.75 114.94 126.25 3ifs s ASN 141 Ca -0.14 -2.01 -0.16 0.00 0.04 0.00 0.00 52.86 50.59 3ifs s ASN 141 Cb -0.16 -1.69 -0.04 0.00 -1.54 0.00 0.00 41.25 37.83 3ifs s ASN 141 CO 0.05 -0.41 0.41 0.54 -3.04 0.00 0.00 177.10 174.66 3ifs s VAL 142 N 1.01 5.19 -0.19 -5.21 0.11 -0.45 -0.68 120.40 120.18 3ifs s VAL 142 Ca 0.08 0.75 0.01 0.00 -2.93 0.00 0.00 61.98 59.88 3ifs s VAL 142 Cb -0.20 -3.75 0.04 0.00 -1.53 0.00 0.00 36.38 30.94 3ifs s VAL 142 CO -0.06 0.26 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.23 3ifs s ILE 143 N 1.23 1.58 -0.29 7.04 1.01 0.40 -0.97 121.20 131.20 3ifs s ILE 143 Ca 0.20 -0.94 -0.16 0.00 0.00 0.00 0.00 60.65 59.75 3ifs s ILE 143 Cb -0.15 -1.65 0.13 0.00 0.01 0.00 0.00 42.46 40.80 3ifs s ILE 143 CO 0.08 0.19 0.93 -0.55 0.00 0.00 0.00 174.94 175.59 3ifs s SER 144 N 1.43 -0.58 0.17 3.58 0.15 -0.64 -4.47 113.70 113.34 3ifs s SER 144 Ca -0.01 0.93 -0.14 0.00 0.70 0.00 0.00 55.95 57.44 3ifs s SER 144 Cb -0.16 1.24 0.07 0.00 -1.71 0.00 0.00 66.02 65.45 3ifs s SER 144 CO -0.08 -0.15 1.80 0.50 1.20 0.00 0.00 173.24 176.51 3ifs h LYS 145 N 6.20 0.75 0.00 5.44 1.63 -1.92 -3.33 116.57 125.34 3ifs h LYS 145 Ca -0.28 -0.07 -0.38 0.00 -0.85 0.00 0.00 60.65 59.06 3ifs h LYS 145 Cb 1.20 -0.15 -0.07 0.00 -0.60 0.00 0.00 32.23 32.60 3ifs h LYS 145 CO 0.19 0.55 -2.43 -1.13 -3.45 0.00 0.00 179.45 173.18 3ifs n SER 146 N -4.65 0.94 0.00 4.20 3.41 -1.26 -2.66 113.62 113.59 3ifs n SER 146 Ca 0.03 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3ifs n SER 146 Cb 0.06 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3ifs n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ifs n GLY 147 N 1.99 0.57 0.00 5.00 0.00 -1.25 -1.49 105.19 110.01 3ifs n GLY 147 Ca -0.39 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 45.64 3ifs n GLY 147 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ifs n THR 148 N -2.86 0.00 -1.70 2.61 -2.24 -1.26 -4.65 114.28 104.19 3ifs n THR 148 Ca 0.00 -0.24 -0.54 0.00 -2.27 0.00 0.00 64.05 61.01 3ifs n THR 148 Cb 0.00 0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 68.75 3ifs n THR 148 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3ifs n THR 149 N -1.56 0.43 -0.27 4.28 -1.04 -1.26 -4.81 114.28 110.04 3ifs n THR 149 Ca -0.00 -0.08 -0.05 0.00 -2.04 0.00 0.00 64.05 61.87 3ifs n THR 149 Cb 0.19 -1.51 -0.00 0.00 -1.82 0.00 0.00 70.33 67.18 3ifs n THR 149 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3ifs h THR 150 N 5.38 0.08 0.02 12.58 2.02 -1.99 -1.83 112.91 129.17 3ifs h THR 150 Ca -0.47 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 3ifs h THR 150 Cb 1.30 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3ifs h THR 150 CO 0.96 0.00 -0.01 -0.33 0.37 0.00 0.00 175.52 176.51 3ifs h GLU 151 N -0.12 -0.02 -0.10 6.66 3.07 -1.88 -1.49 114.58 120.70 3ifs h GLU 151 Ca 0.25 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.99 3ifs h GLU 151 Cb 0.56 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 3ifs h GLU 151 CO -0.80 0.06 -0.47 -1.35 -1.40 0.00 0.00 179.01 175.06 3ifs h PRO 152 N -0.09 0.25 -0.52 2.33 0.11 -1.45 -1.94 132.00 130.67 3ifs h PRO 152 Ca -0.00 -0.13 -0.09 0.00 0.11 0.00 0.00 66.00 65.88 3ifs h PRO 152 Cb 0.09 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 3ifs h PRO 152 CO 0.00 0.67 -0.04 0.00 -0.21 0.00 0.00 178.00 178.42 3ifs h ALA 153 N 1.31 0.71 -0.19 -0.75 0.00 -1.18 0.27 119.26 119.43 3ifs h ALA 153 Ca 0.01 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3ifs h ALA 153 Cb 0.90 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ifs h ALA 153 CO 0.07 0.57 -0.18 1.25 0.00 0.00 0.00 179.25 180.96 3ifs h LEU 154 N 0.82 0.49 -0.94 0.00 5.85 -1.24 -2.02 115.31 118.27 3ifs h LEU 154 Ca 0.14 -0.47 -0.08 0.00 0.84 0.00 0.00 57.88 58.31 3ifs h LEU 154 Cb 0.58 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3ifs h LEU 154 CO 0.03 0.86 -0.13 0.00 -0.34 0.00 0.00 178.44 178.87 3ifs h ALA 155 N 0.64 1.11 -0.54 1.25 0.00 -1.31 -2.58 119.26 117.84 3ifs h ALA 155 Ca 0.03 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 3ifs h ALA 155 Cb 0.72 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3ifs h ALA 155 CO 0.05 0.55 0.09 0.35 0.00 0.00 0.00 179.25 180.29 3ifs h PHE 156 N 0.57 0.95 -0.18 0.00 3.57 -0.85 -0.29 116.94 120.71 3ifs h PHE 156 Ca 0.10 -0.13 0.03 0.00 3.53 0.00 0.00 57.97 61.50 3ifs h PHE 156 Cb 0.56 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3ifs h PHE 156 CO 0.02 0.85 -0.03 0.00 -2.23 0.00 0.00 178.31 176.92 3ifs h ARG 157 N 0.78 0.02 -0.21 1.11 3.08 -1.09 0.10 114.38 118.16 3ifs h ARG 157 Ca 0.16 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 3ifs h ARG 157 Cb 0.41 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3ifs h ARG 157 CO 0.01 0.01 0.09 0.82 -1.07 0.00 0.00 179.97 179.83 3ifs h ILE 158 N 0.02 1.16 0.00 2.04 2.04 -1.26 -2.57 117.51 118.94 3ifs h ILE 158 Ca 0.09 -0.49 -0.19 0.00 1.00 0.00 0.00 64.86 65.27 3ifs h ILE 158 Cb 0.13 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3ifs h ILE 158 CO -0.17 0.16 -0.92 -0.26 0.00 0.00 0.00 178.15 176.96 3ifs h PHE 159 N 0.20 0.00 -0.56 1.37 0.04 -0.97 -2.68 116.94 114.34 3ifs h PHE 159 Ca 0.07 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.74 3ifs h PHE 159 Cb 0.17 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 3ifs h PHE 159 CO -0.01 0.92 -0.06 -0.09 -0.60 0.00 0.00 178.31 178.47 3ifs h ARG 160 N 0.00 1.00 -0.59 1.51 2.43 -1.03 -0.78 114.38 116.92 3ifs h ARG 160 Ca -0.01 -0.34 -0.06 0.00 -0.81 0.00 0.00 59.98 58.76 3ifs h ARG 160 Cb 1.70 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 31.15 3ifs h ARG 160 CO 0.12 1.02 0.15 -0.22 -1.51 0.00 0.00 179.97 179.52 3ifs h LYS 161 N 0.91 0.95 -0.93 0.20 3.64 -1.42 -0.10 116.57 119.82 3ifs h LYS 161 Ca 0.15 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3ifs h LYS 161 Cb 0.61 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 3ifs h LYS 161 CO 0.04 0.87 0.56 -0.07 -2.27 0.00 0.00 179.45 178.59 3ifs h LEU 162 N 0.86 1.11 -0.28 5.20 3.38 -1.17 -1.29 115.31 123.12 3ifs h LEU 162 Ca 0.19 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3ifs h LEU 162 Cb 0.35 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3ifs h LEU 162 CO 0.00 0.85 0.03 0.25 0.09 0.00 0.00 178.44 179.66 3ifs h LEU 163 N 1.28 0.46 -1.41 1.67 5.85 -0.83 -2.20 115.31 120.13 3ifs h LEU 163 Ca 0.33 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3ifs h LEU 163 Cb -0.06 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3ifs h LEU 163 CO -0.06 0.62 0.24 -0.33 -0.34 0.00 0.00 178.44 178.57 3ifs h GLU 164 N 0.29 0.64 -0.14 1.25 5.08 -0.70 -1.20 114.58 119.80 3ifs h GLU 164 Ca 0.08 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 3ifs h GLU 164 Cb 0.37 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3ifs h GLU 164 CO 0.01 0.49 -0.66 0.93 -1.00 0.00 0.00 179.01 178.78 3ifs h GLU 165 N 0.65 0.53 -0.04 2.33 5.08 -1.13 0.17 114.58 122.17 3ifs h GLU 165 Ca 0.17 -0.39 -0.13 0.00 -1.00 0.00 0.00 59.36 58.01 3ifs h GLU 165 Cb 0.04 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.37 3ifs h GLU 165 CO -0.03 1.01 -0.47 -0.22 -1.00 0.00 0.00 179.01 178.30 3ifs h LYS 166 N 0.38 0.38 0.00 2.33 3.64 -1.03 -3.39 116.57 118.88 3ifs h LYS 166 Ca -0.02 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3ifs h LYS 166 Cb 1.23 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 3ifs h LYS 166 CO 0.12 1.02 -1.06 0.66 -2.27 0.00 0.00 179.45 177.93 3ifs n TYR 167 N -4.31 0.00 0.00 1.91 4.01 -0.49 -5.12 117.16 113.17 3ifs n TYR 167 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3ifs n TYR 167 Cb 0.60 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 3ifs n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ifs n GLY 168 N 1.51 -0.06 0.28 2.72 0.00 0.58 -4.35 105.19 105.88 3ifs n GLY 168 Ca 0.00 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 3ifs n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ifs h LYS 169 N 0.00 -0.35 -0.38 1.61 1.79 -1.93 -1.42 116.57 115.89 3ifs h LYS 169 Ca 0.00 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 3ifs h LYS 169 Cb 0.00 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 3ifs h LYS 169 CO 0.00 -0.23 0.16 1.49 -1.08 0.00 0.00 179.45 179.78 3ifs h GLU 170 N -0.36 0.56 -0.08 3.15 4.57 -1.97 -1.72 114.58 118.72 3ifs h GLU 170 Ca 0.07 -0.10 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 3ifs h GLU 170 Cb 0.47 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3ifs h GLU 170 CO -0.25 0.53 -0.43 0.93 -1.18 0.00 0.00 179.01 178.61 3ifs h GLU 171 N 0.46 0.18 -0.57 1.92 4.39 -1.75 -2.66 114.58 116.56 3ifs h GLU 171 Ca 0.13 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 3ifs h GLU 171 Cb 0.18 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3ifs h GLU 171 CO -0.01 0.59 0.03 0.00 -1.16 0.00 0.00 179.01 178.46 3ifs h ALA 172 N 1.40 0.99 -0.93 3.43 0.00 -1.04 -2.80 119.26 120.32 3ifs h ALA 172 Ca 0.01 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.75 3ifs h ALA 172 Cb 0.83 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 3ifs h ALA 172 CO 0.06 0.62 0.59 -0.09 0.00 0.00 0.00 179.25 180.44 3ifs h ARG 173 N 0.88 0.87 0.00 0.00 2.43 -0.95 0.21 114.38 117.82 3ifs h ARG 173 Ca 0.17 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3ifs h ARG 173 Cb 0.47 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3ifs h ARG 173 CO 0.02 0.58 0.00 1.63 -1.51 0.00 0.00 179.97 180.69 3ifs n LYS 174 N -4.56 0.42 -0.09 0.20 5.02 -1.06 -3.26 118.16 114.83 3ifs n LYS 174 Ca 0.17 0.03 0.03 0.00 -2.02 0.00 0.00 58.31 56.52 3ifs n LYS 174 Cb 0.34 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.93 3ifs n LYS 174 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ifs n ARG 175 N -1.26 2.77 -4.69 1.97 1.74 0.04 -4.96 116.66 112.27 3ifs n ARG 175 Ca 0.13 -1.75 -0.33 0.00 -0.77 0.00 0.00 57.85 55.13 3ifs n ARG 175 Cb 0.20 -1.15 -0.15 0.00 -1.02 0.00 0.00 32.46 30.35 3ifs n ARG 175 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3ifs s ILE 176 N -0.97 2.87 -0.18 0.55 1.01 -1.10 -0.82 121.20 122.54 3ifs s ILE 176 Ca 0.12 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.07 3ifs s ILE 176 Cb 0.07 -2.20 0.03 0.00 0.01 0.00 0.00 42.46 40.36 3ifs s ILE 176 CO 0.09 0.52 -0.14 -0.31 0.00 0.00 0.00 174.94 175.09 3ifs s TYR 177 N 0.55 2.48 -0.28 3.97 1.51 0.07 -3.62 117.35 122.03 3ifs s TYR 177 Ca -0.09 -1.53 -0.09 0.00 -1.01 0.00 0.00 57.07 54.35 3ifs s TYR 177 Cb -0.16 -1.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.94 3ifs s TYR 177 CO 0.04 -0.74 0.14 0.00 -1.11 0.00 0.00 175.55 173.87 3ifs s ALA 178 N 1.38 3.33 -0.33 3.71 0.00 -0.59 -1.35 121.76 127.93 3ifs s ALA 178 Ca 0.02 -1.18 -0.07 0.00 0.00 0.00 0.00 51.96 50.73 3ifs s ALA 178 Cb -0.14 -2.31 0.02 0.00 0.00 0.00 0.00 23.12 20.69 3ifs s ALA 178 CO -0.10 -0.62 0.11 0.99 0.00 0.00 0.00 175.76 176.15 3ifs s THR 179 N 1.67 4.02 0.00 0.00 2.01 -0.15 -0.69 115.64 122.51 3ifs s THR 179 Ca 0.06 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.18 3ifs s THR 179 Cb -0.16 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.17 3ifs s THR 179 CO 0.07 -0.07 0.00 1.07 -0.69 0.00 0.00 174.62 175.00 3ifs n THR 180 N 4.87 0.00 -1.61 -0.82 5.66 -0.52 -1.62 114.28 120.24 3ifs n THR 180 Ca -0.13 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.48 3ifs n THR 180 Cb 0.46 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.29 3ifs n THR 180 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3ifs n ASP 181 N -0.84 0.81 0.24 1.09 2.03 -1.09 -1.00 116.55 117.80 3ifs n ASP 181 Ca 0.00 0.84 0.15 0.00 0.52 0.00 0.00 54.79 56.31 3ifs n ASP 181 Cb 0.00 -1.38 0.54 0.00 -0.72 0.00 0.00 41.12 39.56 3ifs n ASP 181 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 3ifs h LYS 182 N 0.68 0.00 0.00 -0.67 2.10 -1.90 -3.41 116.57 113.38 3ifs h LYS 182 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3ifs h LYS 182 Cb 1.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 3ifs h LYS 182 CO 0.52 0.00 -0.12 0.00 -2.00 0.00 0.00 179.45 177.84 3ifs n ALA 183 N -2.04 1.23 -4.01 0.07 0.00 -1.26 -5.10 120.51 109.40 3ifs n ALA 183 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 3ifs n ALA 183 Cb 0.35 0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 3ifs n ALA 183 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3ifs n ARG 184 N -0.79 0.40 0.00 0.00 0.00 -1.26 -4.85 116.66 110.15 3ifs n ARG 184 Ca 0.00 -2.48 0.00 0.00 -0.00 0.00 0.00 57.85 55.37 3ifs n ARG 184 Cb 0.06 1.84 0.00 0.00 -0.00 0.00 0.00 32.46 34.36 3ifs n ARG 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ifs n GLY 185 N -0.34 2.12 0.36 2.89 0.00 -1.26 -4.34 105.19 104.62 3ifs n GLY 185 Ca 0.03 -2.00 -0.03 0.00 0.00 0.00 0.00 46.02 44.02 3ifs n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifs h ALA 186 N 0.00 1.19 -0.09 4.61 0.00 -1.59 -2.14 119.26 121.24 3ifs h ALA 186 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3ifs h ALA 186 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3ifs h ALA 186 CO 0.00 0.64 -0.29 1.25 0.00 0.00 0.00 179.25 180.85 3ifs h LEU 187 N 1.28 0.42 -0.72 0.00 5.85 -1.79 -2.09 115.31 118.27 3ifs h LEU 187 Ca 0.34 -0.61 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 3ifs h LEU 187 Cb -0.06 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3ifs h LEU 187 CO -0.06 0.96 0.39 0.50 -0.34 0.00 0.00 178.44 179.88 3ifs h LYS 188 N -0.09 1.00 -0.82 1.25 1.63 -1.75 0.50 116.57 118.29 3ifs h LYS 188 Ca -0.01 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.64 3ifs h LYS 188 Cb 0.92 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 32.32 3ifs h LYS 188 CO 0.06 0.75 0.42 1.15 -3.45 0.00 0.00 179.45 178.39 3ifs h THR 189 N 0.99 1.25 -0.13 1.00 2.02 -1.40 -0.14 112.91 116.49 3ifs h THR 189 Ca 0.25 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 3ifs h THR 189 Cb 0.05 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 3ifs h THR 189 CO -0.04 0.29 0.00 0.25 0.37 0.00 0.00 175.52 176.39 3ifs h LEU 190 N 1.15 0.23 -0.53 2.58 5.85 -0.79 -1.88 115.31 121.93 3ifs h LEU 190 Ca 0.28 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.76 3ifs h LEU 190 Cb 0.08 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3ifs h LEU 190 CO -0.04 0.48 0.23 0.00 -0.34 0.00 0.00 178.44 178.77 3ifs h ALA 191 N 0.76 0.67 -0.28 1.25 0.00 -0.67 0.26 119.26 121.24 3ifs h ALA 191 Ca 0.04 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ifs h ALA 191 Cb 0.36 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3ifs h ALA 191 CO 0.01 -0.14 0.17 -0.44 0.00 0.00 0.00 179.25 178.85 3ifs h ASP 192 N 0.44 0.29 -0.50 0.00 3.32 -0.97 0.33 116.42 119.33 3ifs h ASP 192 Ca 0.25 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 3ifs h ASP 192 Cb 0.22 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3ifs h ASP 192 CO -0.21 0.21 -0.01 0.78 -1.72 0.00 0.00 179.24 178.29 3ifs h ASN 193 N 0.36 0.88 1.31 6.45 2.35 -0.74 -3.18 115.58 123.02 3ifs h ASN 193 Ca 0.11 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 3ifs h ASN 193 Cb -0.02 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.11 3ifs h ASN 193 CO -0.04 0.98 -0.56 -0.33 -1.65 0.00 0.00 177.43 175.84 3ifs h GLU 194 N 0.76 0.00 -0.97 0.81 4.39 -0.46 -3.48 114.58 115.63 3ifs h GLU 194 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3ifs h GLU 194 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3ifs h GLU 194 CO 0.03 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.29 3ifs n GLY 195 N 1.19 0.94 3.85 -3.84 0.00 0.10 -4.96 105.19 102.47 3ifs n GLY 195 Ca 0.02 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 3ifs n GLY 195 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ifs s TYR 196 N -2.97 3.41 0.31 1.61 2.02 -0.60 -4.91 117.35 116.23 3ifs s TYR 196 Ca 0.00 1.29 -0.29 0.00 -0.37 0.00 0.00 57.07 57.70 3ifs s TYR 196 Cb 0.00 -2.62 -0.11 0.00 -0.40 0.00 0.00 41.96 38.83 3ifs s TYR 196 CO 0.00 -0.10 1.54 -2.00 -1.57 0.00 0.00 175.55 173.42 3ifs s GLU 197 N -3.50 4.14 0.08 -0.62 2.56 -1.24 -4.82 118.70 115.30 3ifs s GLU 197 Ca 0.56 2.54 0.07 0.00 0.00 0.00 0.00 54.97 58.14 3ifs s GLU 197 Cb -0.10 -3.02 -0.03 0.00 2.00 0.00 0.00 34.13 32.98 3ifs s GLU 197 CO 0.24 -0.57 -0.19 0.95 -0.56 0.00 0.00 175.26 175.13 3ifs s THR 198 N -0.38 1.57 0.14 -1.70 -4.23 -1.26 -1.54 115.64 108.24 3ifs s THR 198 Ca 0.59 -1.38 0.06 0.00 -1.18 0.00 0.00 61.69 59.78 3ifs s THR 198 Cb -0.47 -1.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.91 3ifs s THR 198 CO 0.52 -0.01 -0.13 -0.36 -0.54 0.00 0.00 174.62 174.10 3ifs s PHE 199 N -1.06 1.39 -0.14 3.99 0.08 0.14 -4.96 117.98 117.41 3ifs s PHE 199 Ca 0.05 -0.62 -0.04 0.00 0.12 0.00 0.00 56.93 56.44 3ifs s PHE 199 Cb -0.09 -0.71 -0.03 0.00 -0.57 0.00 0.00 43.02 41.61 3ifs s PHE 199 CO 0.03 0.15 0.01 0.08 -0.10 0.00 0.00 175.22 175.39 3ifs s VAL 200 N -2.59 4.31 -0.40 -0.44 1.01 -1.26 -1.43 120.40 119.60 3ifs s VAL 200 Ca 0.13 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 3ifs s VAL 200 Cb -0.02 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.50 3ifs s VAL 200 CO 0.03 0.53 0.40 -0.63 0.00 0.00 0.00 175.10 175.43 3ifs s ILE 201 N -0.11 5.13 0.31 2.22 1.01 -0.17 -4.44 121.20 125.15 3ifs s ILE 201 Ca 0.04 -0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.09 3ifs s ILE 201 Cb -0.13 -3.98 -0.12 0.00 0.01 0.00 0.00 42.46 38.24 3ifs s ILE 201 CO 0.02 -0.34 1.41 -2.65 0.00 0.00 0.00 174.94 173.38 3ifs n PRO 202 N 5.49 2.32 0.23 2.79 -0.02 -1.26 -4.51 135.00 140.05 3ifs n PRO 202 Ca -0.08 0.82 0.12 0.00 -2.02 0.00 0.00 63.50 62.34 3ifs n PRO 202 Cb 0.48 -2.48 0.74 0.00 -0.02 0.00 0.00 33.50 32.21 3ifs n PRO 202 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ifs h ASP 203 N 3.45 0.00 -0.54 2.55 3.32 -1.96 -2.42 116.42 120.82 3ifs h ASP 203 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3ifs h ASP 203 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3ifs h ASP 203 CO 0.69 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.31 3ifs n ASP 204 N -4.25 3.03 -4.05 6.45 5.75 -1.26 -4.78 116.55 117.44 3ifs n ASP 204 Ca -0.01 -2.05 -0.32 0.00 -0.01 0.00 0.00 54.79 52.40 3ifs n ASP 204 Cb 0.18 -0.38 -0.15 0.00 -1.03 0.00 0.00 41.12 39.73 3ifs n ASP 204 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3ifs s VAL 205 N -1.35 1.96 0.68 2.12 1.01 -0.91 -0.84 120.40 123.07 3ifs s VAL 205 Ca 0.37 -1.30 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 3ifs s VAL 205 Cb 0.20 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.57 3ifs s VAL 205 CO 0.24 0.14 1.07 -0.83 0.00 0.00 0.00 175.10 175.72 3ifs s GLY 206 N 1.24 1.87 0.20 4.51 0.00 -1.26 -4.73 107.32 109.14 3ifs s GLY 206 Ca -0.04 0.27 -0.17 0.00 0.00 0.00 0.00 44.72 44.78 3ifs s GLY 206 CO -0.08 0.60 1.61 -1.33 0.00 0.00 0.00 173.10 173.90 3ifs h GLY 207 N -0.36 0.16 2.00 0.20 0.00 -1.96 -1.25 103.07 101.85 3ifs h GLY 207 Ca -0.45 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3ifs h GLY 207 CO 0.55 -0.23 0.00 0.07 0.00 0.00 0.00 176.54 176.94 3ifs h ARG 208 N -0.10 0.00 -0.35 4.80 0.11 -1.93 -1.15 114.38 115.76 3ifs h ARG 208 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 3ifs h ARG 208 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 3ifs h ARG 208 CO -0.65 0.00 0.00 1.19 0.10 0.00 0.00 179.97 180.61 3ifs n PHE 209 N -2.44 0.69 1.00 4.08 3.01 -0.52 -4.72 117.46 118.57 3ifs n PHE 209 Ca -0.00 -0.63 0.12 0.00 1.01 0.00 0.00 57.45 57.95 3ifs n PHE 209 Cb 0.12 -0.13 0.28 0.00 -0.01 0.00 0.00 39.48 39.75 3ifs n PHE 209 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3ifs n SER 210 N 0.25 2.48 -0.16 4.37 3.41 -0.44 -4.50 113.62 119.04 3ifs n SER 210 Ca 0.16 -1.82 0.15 0.00 -0.26 0.00 0.00 58.87 57.10 3ifs n SER 210 Cb 0.61 -0.08 0.50 0.00 -0.26 0.00 0.00 64.21 64.98 3ifs n SER 210 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3ifs h VAL 211 N 3.59 0.81 -0.08 -3.33 3.04 -1.83 0.04 116.25 118.49 3ifs h VAL 211 Ca 0.00 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 3ifs h VAL 211 Cb 0.77 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.41 3ifs h VAL 211 CO 0.00 0.08 0.00 0.18 -1.01 0.00 0.00 177.57 176.82 3ifs n LEU 212 N -4.48 0.76 0.00 3.16 4.77 -1.26 -2.73 117.00 117.23 3ifs n LEU 212 Ca 0.14 -0.32 -0.21 0.00 -0.03 0.00 0.00 56.01 55.58 3ifs n LEU 212 Cb 0.51 -0.05 0.11 0.00 -2.33 0.00 0.00 43.42 41.65 3ifs n LEU 212 CO 0.33 0.16 0.51 0.35 -1.33 0.00 0.00 177.39 177.41 3ifs n THR 213 N -0.26 0.00 0.21 -5.08 -2.24 0.00 -4.82 114.28 102.09 3ifs n THR 213 Ca 0.14 -1.46 0.18 0.00 -2.27 0.00 0.00 64.05 60.63 3ifs n THR 213 Cb 0.18 -0.92 0.84 0.00 -2.10 0.00 0.00 70.33 68.32 3ifs n THR 213 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3ifs h PRO 214 N 0.00 0.00 -0.81 -0.78 0.11 -1.83 -1.68 132.00 127.02 3ifs h PRO 214 Ca -0.30 0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.00 3ifs h PRO 214 Cb 1.13 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.10 3ifs h PRO 214 CO 0.33 0.00 0.09 0.28 -0.21 0.00 0.00 178.00 178.49 3ifs h VAL 215 N 0.00 0.32 0.04 3.15 2.07 -1.85 -2.30 116.25 117.68 3ifs h VAL 215 Ca 0.09 -0.05 -0.38 0.00 0.82 0.00 0.00 66.70 67.18 3ifs h VAL 215 Cb 0.57 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 3ifs h VAL 215 CO -0.00 0.03 -2.30 0.61 0.02 0.00 0.00 177.57 175.92 3ifs n GLY 216 N -1.41 -0.44 0.33 2.17 0.00 -0.70 -4.58 105.19 100.55 3ifs n GLY 216 Ca 0.17 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.02 3ifs n GLY 216 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ifs h LEU 217 N -0.10 0.83 0.55 0.99 3.38 -1.22 -2.07 115.31 117.66 3ifs h LEU 217 Ca -0.54 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 3ifs h LEU 217 Cb 1.89 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.51 3ifs h LEU 217 CO -0.07 0.51 -0.26 0.25 0.09 0.00 0.00 178.44 178.95 3ifs h LEU 218 N 0.95 -0.62 -1.28 1.67 5.85 -1.66 -0.61 115.31 119.61 3ifs h LEU 218 Ca 0.40 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 59.05 3ifs h LEU 218 Cb 0.26 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3ifs h LEU 218 CO -0.20 -0.32 0.15 1.55 -0.34 0.00 0.00 178.44 179.28 3ifs h PRO 219 N -0.92 0.64 -0.58 5.25 0.13 -1.80 -0.39 132.00 134.33 3ifs h PRO 219 Ca -0.07 -0.10 -0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3ifs h PRO 219 Cb 0.63 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.61 3ifs h PRO 219 CO 0.12 0.56 0.35 0.82 -0.23 0.00 0.00 178.00 179.63 3ifs h ILE 220 N 0.64 1.17 -0.31 -3.56 2.04 -1.33 -1.93 117.51 114.23 3ifs h ILE 220 Ca 0.15 -0.38 -0.13 0.00 1.00 0.00 0.00 64.86 65.51 3ifs h ILE 220 Cb 0.18 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3ifs h ILE 220 CO -0.01 0.18 -0.33 0.00 0.00 0.00 0.00 178.15 177.99 3ifs h ALA 221 N 1.18 0.83 -0.81 1.87 0.00 -0.46 -2.69 119.26 119.18 3ifs h ALA 221 Ca 0.21 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3ifs h ALA 221 Cb -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3ifs h ALA 221 CO -0.04 0.64 0.48 0.28 0.00 0.00 0.00 179.25 180.61 3ifs h VAL 222 N 0.58 1.23 0.00 0.00 2.07 -0.82 -1.08 116.25 118.23 3ifs h VAL 222 Ca 0.06 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3ifs h VAL 222 Cb 0.84 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3ifs h VAL 222 CO 0.07 0.24 0.00 -1.54 0.02 0.00 0.00 177.57 176.36 3ifs n SER 223 N -4.37 0.00 0.00 0.57 3.41 -0.75 -4.38 113.62 108.10 3ifs n SER 223 Ca 0.09 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 3ifs n SER 223 Cb 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 3ifs n SER 223 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ifs n GLY 224 N 0.01 0.60 3.82 5.00 0.00 -0.41 -4.93 105.19 109.29 3ifs n GLY 224 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3ifs n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ifs s LEU 225 N 0.00 4.11 -0.73 0.99 1.43 -1.11 -5.00 118.68 118.36 3ifs s LEU 225 Ca 0.00 1.56 -0.25 0.00 -1.03 0.00 0.00 54.13 54.41 3ifs s LEU 225 Cb 0.00 -4.18 0.04 0.00 0.03 0.00 0.00 46.19 42.09 3ifs s LEU 225 CO 0.00 -0.21 1.19 0.21 0.23 0.00 0.00 176.35 177.77 3ifs s ASN 226 N -2.03 6.18 0.43 2.29 3.84 -1.26 -4.32 114.94 120.08 3ifs s ASN 226 Ca 0.55 -0.67 0.29 0.00 0.21 0.00 0.00 52.86 53.24 3ifs s ASN 226 Cb -0.12 -2.51 1.14 0.00 -0.55 0.00 0.00 41.25 39.20 3ifs s ASN 226 CO 0.17 -1.70 1.86 0.16 -2.79 0.00 0.00 177.10 174.81 3ifs h ILE 227 N 6.04 0.00 -0.14 -5.21 3.07 -1.94 -2.96 117.51 116.38 3ifs h ILE 227 Ca -0.26 -0.45 -0.05 0.00 1.55 0.00 0.00 64.86 65.65 3ifs h ILE 227 Cb 1.05 1.37 -0.00 0.00 -0.27 0.00 0.00 36.82 38.97 3ifs h ILE 227 CO 1.25 0.00 -0.11 -0.33 -1.05 0.00 0.00 178.15 177.91 3ifs h GLU 228 N 0.00 0.32 -5.25 0.16 5.08 -2.01 -3.43 114.58 109.45 3ifs h GLU 228 Ca 0.00 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.08 3ifs h GLU 228 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3ifs h GLU 228 CO 0.00 0.69 0.37 -1.21 -1.00 0.00 0.00 179.01 177.86 3ifs s GLU 229 N -4.37 1.62 0.00 2.33 0.41 -1.12 -4.71 118.70 112.86 3ifs s GLU 229 Ca -0.14 -0.57 0.00 0.00 -0.41 0.00 0.00 54.97 53.84 3ifs s GLU 229 Cb 0.05 -5.04 0.00 0.00 -1.78 0.00 0.00 34.13 27.35 3ifs s GLU 229 CO 0.74 -4.94 0.00 1.63 -0.49 0.00 0.00 175.26 172.20 3ifs n LYS 232 N 8.27 0.00 -0.15 1.61 5.02 -1.26 -3.87 118.16 127.78 3ifs n LYS 232 Ca 0.43 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.62 3ifs n LYS 232 Cb 0.47 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.47 3ifs n LYS 232 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3ifs h GLY 233 N 0.00 0.76 1.25 0.72 0.00 -1.84 -1.31 103.07 102.65 3ifs h GLY 233 Ca 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 3ifs h GLY 233 CO 0.00 0.48 0.23 0.00 0.00 0.00 0.00 176.54 177.25 3ifs h ALA 234 N 0.93 1.19 -0.53 3.60 0.00 -1.77 -0.70 119.26 121.99 3ifs h ALA 234 Ca 0.13 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3ifs h ALA 234 Cb 0.38 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3ifs h ALA 234 CO 0.01 0.57 0.01 0.00 0.00 0.00 0.00 179.25 179.85 3ifs h ALA 235 N 1.32 0.71 -0.88 0.00 0.00 -1.78 0.93 119.26 119.56 3ifs h ALA 235 Ca 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ifs h ALA 235 Cb 0.22 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3ifs h ALA 235 CO -0.01 0.52 0.50 0.00 0.00 0.00 0.00 179.25 180.25 3ifs h ALA 236 N 0.95 1.12 -0.72 0.00 0.00 -0.78 -1.95 119.26 117.88 3ifs h ALA 236 Ca 0.15 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3ifs h ALA 236 Cb 0.51 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3ifs h ALA 236 CO 0.02 0.61 0.26 0.78 0.00 0.00 0.00 179.25 180.93 3ifs h GLY 237 N 1.22 1.18 0.85 0.00 0.00 -0.74 -0.63 103.07 104.95 3ifs h GLY 237 Ca 0.31 -0.67 0.04 0.00 0.00 0.00 0.00 47.33 47.02 3ifs h GLY 237 CO -0.05 0.63 0.59 -0.09 0.00 0.00 0.00 176.54 177.61 3ifs h ARG 238 N 1.05 1.10 0.13 4.80 2.43 -0.19 0.18 114.38 123.88 3ifs h ARG 238 Ca 0.24 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3ifs h ARG 238 Cb 0.25 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3ifs h ARG 238 CO -0.01 0.73 -0.06 0.22 -1.51 0.00 0.00 179.97 179.33 3ifs h ASP 239 N 1.14 -0.15 0.08 -3.80 3.58 -0.99 -1.82 116.42 114.46 3ifs h ASP 239 Ca 0.37 -0.37 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 3ifs h ASP 239 Cb 0.04 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 3ifs h ASP 239 CO -0.13 0.34 -0.16 0.44 -2.88 0.00 0.00 179.24 176.84 3ifs h ASP 240 N -0.69 0.16 -0.48 2.28 3.32 -0.96 -2.63 116.42 117.43 3ifs h ASP 240 Ca -0.02 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3ifs h ASP 240 Cb 0.51 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3ifs h ASP 240 CO 0.03 0.35 0.00 0.49 -1.72 0.00 0.00 179.24 178.39 3ifs n PHE 241 N -4.27 1.43 0.14 4.55 3.72 0.04 -4.26 117.46 118.81 3ifs n PHE 241 Ca -0.01 -0.72 0.11 0.00 -0.05 0.00 0.00 57.45 56.77 3ifs n PHE 241 Cb 0.28 -0.34 0.22 0.00 -0.94 0.00 0.00 39.48 38.70 3ifs n PHE 241 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ifs n GLY 242 N 0.39 1.86 3.78 1.37 0.00 -0.68 -4.95 105.19 106.95 3ifs n GLY 242 Ca 0.24 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 3ifs n GLY 242 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ifs s THR 243 N -1.32 4.23 -0.76 2.61 -1.32 -1.26 -4.98 115.64 112.83 3ifs s THR 243 Ca 0.38 1.80 0.25 0.00 -1.21 0.00 0.00 61.69 62.90 3ifs s THR 243 Cb 0.22 -3.99 0.05 0.00 -1.51 0.00 0.00 72.50 67.26 3ifs s THR 243 CO 0.30 0.13 1.39 -1.54 -2.21 0.00 0.00 174.62 172.69 3ifs n SER 244 N 0.53 0.60 -4.64 8.08 3.41 -1.26 -4.80 113.62 115.54 3ifs n SER 244 Ca 0.02 0.05 -0.40 0.00 -0.26 0.00 0.00 58.87 58.28 3ifs n SER 244 Cb 0.50 0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 3ifs n SER 244 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3ifs s GLU 245 N -3.11 4.16 0.22 4.33 2.56 -1.26 -4.38 118.70 121.21 3ifs s GLU 245 Ca 0.08 0.58 -0.09 0.00 0.00 0.00 0.00 54.97 55.54 3ifs s GLU 245 Cb 0.15 -3.62 0.33 0.00 2.00 0.00 0.00 34.13 32.99 3ifs s GLU 245 CO 0.70 -0.33 1.70 1.25 -0.56 0.00 0.00 175.26 178.02 3ifs h LEU 246 N 8.59 -0.00 -1.83 2.70 5.85 -1.88 -0.65 115.31 128.07 3ifs h LEU 246 Ca -0.29 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3ifs h LEU 246 Cb 1.13 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3ifs h LEU 246 CO 0.77 -0.00 0.00 1.05 -0.34 0.00 0.00 178.44 179.92 3ifs h GLU 247 N 0.26 0.00 0.00 1.25 4.11 -1.99 -2.09 114.58 116.12 3ifs h GLU 247 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.76 3ifs h GLU 247 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3ifs h GLU 247 CO -0.43 0.00 -1.09 0.39 0.07 0.00 0.00 179.01 177.95 3ifs n GLU 248 N -2.74 0.12 -3.80 1.06 1.02 -0.30 -4.87 120.64 111.13 3ifs n GLU 248 Ca -0.01 -0.03 -0.36 0.00 -0.02 0.00 0.00 57.16 56.75 3ifs n GLU 248 Cb 0.15 -1.51 -0.12 0.00 -0.02 0.00 0.00 31.44 29.94 3ifs n GLU 248 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3ifs s ASN 249 N -3.30 5.21 0.49 1.62 3.84 -0.79 -4.97 114.94 117.05 3ifs s ASN 249 Ca 0.06 -2.02 0.18 0.00 0.21 0.00 0.00 52.86 51.29 3ifs s ASN 249 Cb 0.16 -1.81 1.22 0.00 -0.55 0.00 0.00 41.25 40.27 3ifs s ASN 249 CO 0.85 -0.52 2.05 -0.65 -2.79 0.00 0.00 177.10 176.04 3ifs h PRO 250 N 8.01 0.15 -0.48 0.43 0.11 -1.86 -0.85 132.00 137.51 3ifs h PRO 250 Ca -0.12 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.87 3ifs h PRO 250 Cb 1.05 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3ifs h PRO 250 CO 0.68 0.10 -0.14 0.00 -0.21 0.00 0.00 178.00 178.43 3ifs h ALA 251 N 1.81 0.66 -0.02 -0.75 0.00 -1.93 -2.00 119.26 117.04 3ifs h ALA 251 Ca 0.17 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 3ifs h ALA 251 Cb 0.48 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3ifs h ALA 251 CO -0.02 0.59 -0.63 1.88 0.00 0.00 0.00 179.25 181.07 3ifs h TYR 252 N 0.79 0.08 -0.45 0.00 0.05 -1.60 -2.27 116.97 113.57 3ifs h TYR 252 Ca 0.12 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 3ifs h TYR 252 Cb 0.70 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.40 3ifs h TYR 252 CO 0.05 0.67 0.15 1.96 -1.05 0.00 0.00 178.16 179.94 3ifs h GLN 253 N 0.05 0.70 -0.46 4.88 4.20 -1.00 -0.58 115.11 122.90 3ifs h GLN 253 Ca -0.01 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 3ifs h GLN 253 Cb 1.12 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 3ifs h GLN 253 CO 0.09 0.66 0.27 -0.92 -0.67 0.00 0.00 178.83 178.25 3ifs h TYR 254 N 0.59 0.61 -0.36 2.96 3.20 -1.25 0.17 116.97 122.89 3ifs h TYR 254 Ca 0.15 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.02 3ifs h TYR 254 Cb 0.25 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3ifs h TYR 254 CO 0.01 0.44 0.21 0.00 -1.64 0.00 0.00 178.16 177.19 3ifs h ALA 255 N 1.12 0.46 -0.39 1.82 0.00 -1.24 -0.97 119.26 120.05 3ifs h ALA 255 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3ifs h ALA 255 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3ifs h ALA 255 CO -0.03 -0.13 0.16 0.28 0.00 0.00 0.00 179.25 179.53 3ifs h VAL 256 N 0.44 1.19 -0.46 0.00 2.07 -0.83 -2.46 116.25 116.20 3ifs h VAL 256 Ca 0.14 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3ifs h VAL 256 Cb -0.00 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3ifs h VAL 256 CO -0.06 0.21 0.24 0.58 0.02 0.00 0.00 177.57 178.56 3ifs h VAL 257 N 0.49 1.17 -0.40 2.57 2.07 -0.72 -0.87 116.25 120.56 3ifs h VAL 257 Ca 0.13 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.22 3ifs h VAL 257 Cb 0.18 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3ifs h VAL 257 CO -0.01 0.19 0.18 0.03 0.02 0.00 0.00 177.57 177.98 3ifs h ARG 258 N 0.61 0.36 -0.67 1.57 3.08 -1.10 -0.31 114.38 117.91 3ifs h ARG 258 Ca 0.16 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 3ifs h ARG 258 Cb 0.08 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3ifs h ARG 258 CO -0.02 0.24 0.17 -0.91 -1.07 0.00 0.00 179.97 178.38 3ifs h ASN 259 N 0.37 0.99 -0.09 7.04 2.35 -1.22 -0.07 115.58 124.96 3ifs h ASN 259 Ca 0.18 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3ifs h ASN 259 Cb 0.11 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 3ifs h ASN 259 CO -0.14 0.95 0.05 0.00 -1.65 0.00 0.00 177.43 176.64 3ifs h ALA 260 N 1.18 0.12 -0.78 -0.83 0.00 -0.69 -1.93 119.26 116.32 3ifs h ALA 260 Ca 0.21 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ifs h ALA 260 Cb 0.34 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3ifs h ALA 260 CO -0.00 -0.35 0.51 -0.07 0.00 0.00 0.00 179.25 179.34 3ifs h LEU 261 N 0.06 0.88 -0.65 0.00 3.38 -0.91 -2.13 115.31 115.94 3ifs h LEU 261 Ca 0.03 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3ifs h LEU 261 Cb 0.06 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 3ifs h LEU 261 CO -0.01 0.63 0.33 0.22 0.09 0.00 0.00 178.44 179.70 3ifs h TYR 262 N 1.04 0.59 0.00 1.13 3.20 -0.78 -0.83 116.97 121.31 3ifs h TYR 262 Ca 0.29 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.19 3ifs h TYR 262 Cb -0.09 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.01 3ifs h TYR 262 CO -0.02 0.24 0.00 -0.91 -1.64 0.00 0.00 178.16 175.83 3ifs h ASN 263 N 0.59 0.00 0.02 -2.11 2.35 -0.70 -0.97 115.58 114.75 3ifs h ASN 263 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3ifs h ASN 263 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3ifs h ASN 263 CO -0.23 0.00 -0.03 0.29 -1.65 0.00 0.00 177.43 175.81 3ifs n LYS 264 N -2.85 1.55 -0.06 0.81 5.02 -0.42 -4.93 118.16 117.29 3ifs n LYS 264 Ca -0.01 -0.88 0.00 0.00 -2.02 0.00 0.00 58.31 55.40 3ifs n LYS 264 Cb 0.17 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3ifs n LYS 264 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ifs n GLY 265 N 1.19 0.92 3.45 0.72 0.00 -0.37 -5.02 105.19 106.08 3ifs n GLY 265 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 3ifs n GLY 265 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ifs s LYS 266 N -0.94 3.52 0.00 1.61 -0.14 -0.61 -4.51 119.74 118.66 3ifs s LYS 266 Ca 0.00 -1.63 0.23 0.00 -1.36 0.00 0.00 55.97 53.21 3ifs s LYS 266 Cb 0.00 -4.80 0.48 0.00 -1.68 0.00 0.00 37.83 31.83 3ifs s LYS 266 CO 0.00 -1.77 1.44 0.25 -0.76 0.00 0.00 175.35 174.51 3ifs n THR 267 N 5.55 0.62 -4.32 2.17 -2.24 -0.21 -3.64 114.28 112.21 3ifs n THR 267 Ca 0.19 -0.81 -0.26 0.00 -2.27 0.00 0.00 64.05 60.91 3ifs n THR 267 Cb 0.48 0.87 -0.17 0.00 -2.10 0.00 0.00 70.33 69.42 3ifs n THR 267 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ifs s ILE 268 N -1.38 1.12 0.00 2.28 1.01 -0.59 -0.53 121.20 123.11 3ifs s ILE 268 Ca 0.42 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.64 3ifs s ILE 268 Cb 0.24 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.64 3ifs s ILE 268 CO 0.32 0.37 0.00 1.21 0.00 0.00 0.00 174.94 176.84 3ifs n GLU 269 N 4.26 2.31 -3.66 2.79 2.13 -0.45 -1.65 120.64 126.36 3ifs n GLU 269 Ca -0.19 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.54 3ifs n GLU 269 Cb 0.51 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.12 3ifs n GLU 269 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3ifs s LEU 271 N 0.00 -0.54 0.05 4.31 2.96 -0.40 -0.32 118.68 124.74 3ifs s LEU 271 Ca 0.00 0.96 0.04 0.00 -0.22 0.00 0.00 54.13 54.91 3ifs s LEU 271 Cb 0.00 1.32 -0.04 0.00 0.50 0.00 0.00 46.19 47.97 3ifs s LEU 271 CO 0.00 -0.23 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.14 3ifs s ILE 272 N 2.40 3.84 0.06 6.68 -1.09 0.70 -1.58 121.20 132.22 3ifs s ILE 272 Ca -0.03 -0.88 -0.00 0.00 -2.23 0.00 0.00 60.65 57.51 3ifs s ILE 272 Cb -0.11 -2.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 3ifs s ILE 272 CO -0.13 0.26 -0.04 0.54 -1.23 0.00 0.00 174.94 174.34 3ifs s ASN 273 N -1.85 0.69 -0.13 3.58 2.20 -1.08 -0.22 114.94 118.13 3ifs s ASN 273 Ca 0.21 -0.98 0.18 0.00 -0.94 0.00 0.00 52.86 51.33 3ifs s ASN 273 Cb -0.11 0.16 0.31 0.00 -2.00 0.00 0.00 41.25 39.61 3ifs s ASN 273 CO 0.13 -0.55 1.17 -1.22 -2.94 0.00 0.00 177.10 173.69 3ifs n TYR 274 N 0.11 0.09 -3.65 1.54 4.02 -1.26 0.06 117.16 118.07 3ifs n TYR 274 Ca -0.14 -0.98 -0.23 0.00 -0.01 0.00 0.00 57.90 56.54 3ifs n TYR 274 Cb 0.61 -0.16 -0.17 0.00 -0.02 0.00 0.00 39.34 39.59 3ifs n TYR 274 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3ifs s GLU 275 N -2.84 0.07 0.53 -0.72 0.41 -1.26 -4.79 118.70 110.10 3ifs s GLU 275 Ca 0.32 0.11 0.26 0.00 -0.41 0.00 0.00 54.97 55.25 3ifs s GLU 275 Cb 0.28 -1.23 1.41 0.00 -1.78 0.00 0.00 34.13 32.81 3ifs s GLU 275 CO 0.04 -0.50 1.98 -1.00 -0.49 0.00 0.00 175.26 175.28 3ifs h PRO 276 N 8.41 0.01 -0.24 0.39 0.13 -1.92 -0.44 132.00 138.33 3ifs h PRO 276 Ca -0.14 -0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.06 3ifs h PRO 276 Cb 1.13 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3ifs h PRO 276 CO 0.23 0.00 0.31 0.00 -0.23 0.00 0.00 178.00 178.32 3ifs h ALA 277 N 1.70 1.83 -0.03 -0.56 0.00 -1.96 -1.38 119.26 118.87 3ifs h ALA 277 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3ifs h ALA 277 Cb 1.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3ifs h ALA 277 CO -0.00 -0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.09 3ifs n LEU 278 N -3.61 0.80 -0.18 0.00 4.32 -0.17 -4.35 117.00 113.81 3ifs n LEU 278 Ca 0.03 -0.29 -0.01 0.00 -0.02 0.00 0.00 56.01 55.73 3ifs n LEU 278 Cb 0.44 -0.01 0.09 0.00 -1.62 0.00 0.00 43.42 42.32 3ifs n LEU 278 CO 0.25 0.14 0.96 -0.61 -1.22 0.00 0.00 177.39 176.91 3ifs h GLN 279 N 1.20 0.34 0.00 3.23 4.15 -1.42 -2.18 115.11 120.43 3ifs h GLN 279 Ca 0.00 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.28 3ifs h GLN 279 Cb 0.26 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3ifs h GLN 279 CO 0.00 0.22 -0.55 1.88 -1.93 0.00 0.00 178.83 178.45 3ifs h TYR 280 N 0.35 0.00 -0.94 3.99 0.05 -1.83 -2.81 116.97 115.78 3ifs h TYR 280 Ca 0.28 0.00 0.01 0.00 0.05 0.00 0.00 58.73 59.07 3ifs h TYR 280 Cb 0.35 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.05 3ifs h TYR 280 CO -0.19 0.55 0.61 0.35 -1.05 0.00 0.00 178.16 178.44 3ifs h PHE 281 N 0.00 1.19 -0.37 4.88 3.57 -1.65 -0.78 116.94 123.78 3ifs h PHE 281 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3ifs h PHE 281 Cb 1.20 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 3ifs h PHE 281 CO 0.00 0.76 0.19 0.00 -2.23 0.00 0.00 178.31 177.03 3ifs h ALA 282 N 1.33 1.63 -0.53 2.41 0.00 -1.18 0.46 119.26 123.40 3ifs h ALA 282 Ca 0.34 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 3ifs h ALA 282 Cb -0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3ifs h ALA 282 CO -0.07 0.30 -0.04 0.93 0.00 0.00 0.00 179.25 180.37 3ifs h GLU 283 N 0.51 0.93 -0.50 0.00 4.39 -1.10 0.36 114.58 119.17 3ifs h GLU 283 Ca 0.13 -0.29 -0.07 0.00 0.34 0.00 0.00 59.36 59.47 3ifs h GLU 283 Cb 0.04 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3ifs h GLU 283 CO -0.02 0.94 0.04 2.35 -1.16 0.00 0.00 179.01 181.16 3ifs h TRP 284 N 0.85 0.93 -0.68 4.33 7.01 -0.40 -1.86 115.95 126.13 3ifs h TRP 284 Ca 0.15 -0.15 -0.07 0.00 2.11 0.00 0.00 58.89 60.94 3ifs h TRP 284 Cb 0.56 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.34 3ifs h TRP 284 CO 0.03 0.86 0.17 2.35 -2.79 0.00 0.00 178.44 179.06 3ifs h TRP 285 N 0.73 1.13 -0.53 2.65 7.01 -0.70 -1.45 115.95 124.78 3ifs h TRP 285 Ca 0.15 -0.13 -0.05 0.00 2.11 0.00 0.00 58.89 60.97 3ifs h TRP 285 Cb 0.47 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 3ifs h TRP 285 CO 0.03 0.92 0.15 0.87 -2.79 0.00 0.00 178.44 177.62 3ifs h LYS 286 N 1.03 0.84 -0.44 2.65 1.57 -0.65 -1.71 116.57 119.85 3ifs h LYS 286 Ca 0.22 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3ifs h LYS 286 Cb 0.35 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3ifs h LYS 286 CO 0.00 0.78 0.14 0.37 -0.57 0.00 0.00 179.45 180.17 3ifs h GLN 287 N 0.74 0.68 0.30 3.15 4.15 -1.14 0.11 115.11 123.10 3ifs h GLN 287 Ca 0.17 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3ifs h GLN 287 Cb 0.30 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 3ifs h GLN 287 CO -0.00 0.66 -0.31 1.25 -1.93 0.00 0.00 178.83 178.50 3ifs h LEU 288 N 0.57 -0.83 0.02 -2.39 5.85 -1.03 -0.92 115.31 116.58 3ifs h LEU 288 Ca 0.14 0.07 -0.20 0.00 0.84 0.00 0.00 57.88 58.74 3ifs h LEU 288 Cb 0.26 0.28 0.02 0.00 0.37 0.00 0.00 40.66 41.59 3ifs h LEU 288 CO -0.00 -0.43 -0.79 -0.26 -0.34 0.00 0.00 178.44 176.61 3ifs h PHE 289 N -0.64 0.76 -0.20 1.25 0.04 -1.38 -2.66 116.94 114.11 3ifs h PHE 289 Ca -0.01 -0.43 0.00 0.00 2.80 0.00 0.00 57.97 60.34 3ifs h PHE 289 Cb 0.59 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 3ifs h PHE 289 CO -0.19 1.26 0.12 0.78 -0.60 0.00 0.00 178.31 179.68 3ifs h GLY 290 N 0.05 0.28 1.81 -1.45 0.00 -0.80 -0.93 103.07 102.02 3ifs h GLY 290 Ca -0.10 -0.10 -0.18 0.00 0.00 0.00 0.00 47.33 46.95 3ifs h GLY 290 CO 0.15 0.09 -0.78 0.83 0.00 0.00 0.00 176.54 176.84 3ifs h GLU 291 N 0.26 0.18 -0.21 4.80 5.08 -1.30 -1.70 114.58 121.69 3ifs h GLU 291 Ca 0.08 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.11 3ifs h GLU 291 Cb -0.02 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3ifs h GLU 291 CO -0.03 0.87 -0.47 0.77 -1.00 0.00 0.00 179.01 179.15 3ifs h SER 292 N 0.11 0.77 0.00 1.42 0.02 -1.32 -3.39 113.55 111.17 3ifs h SER 292 Ca -0.03 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 3ifs h SER 292 Cb 1.36 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3ifs h SER 292 CO 0.12 1.19 -1.36 -0.62 -1.14 0.00 0.00 176.83 175.02 3ifs n GLU 293 N -4.17 0.97 -1.54 3.45 1.02 -0.37 -4.19 120.64 115.82 3ifs n GLU 293 Ca -0.06 -0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.57 3ifs n GLU 293 Cb 0.58 -1.34 -0.02 0.00 -0.02 0.00 0.00 31.44 30.64 3ifs n GLU 293 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ifs n GLY 294 N 1.48 3.92 3.13 0.62 0.00 -0.64 -4.02 105.19 109.68 3ifs n GLY 294 Ca -0.01 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 3ifs n GLY 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ifs s LYS 295 N 3.60 0.72 -1.32 1.61 1.02 -1.22 -4.88 119.74 119.27 3ifs s LYS 295 Ca 0.51 -1.09 -0.09 0.00 0.02 0.00 0.00 55.97 55.31 3ifs s LYS 295 Cb 0.14 -0.27 0.07 0.00 -0.52 0.00 0.00 37.83 37.25 3ifs s LYS 295 CO -0.04 0.02 0.52 -0.25 -0.92 0.00 0.00 175.35 174.68 3ifs n ASP 296 N 0.60 -3.89 -1.71 2.83 8.00 -1.26 -1.34 116.55 119.78 3ifs n ASP 296 Ca -0.17 -0.41 -0.15 0.00 0.71 0.00 0.00 54.79 54.77 3ifs n ASP 296 Cb 0.58 -3.21 -0.01 0.00 -0.02 0.00 0.00 41.12 38.47 3ifs n ASP 296 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ifs n GLN 297 N -3.79 -1.20 -4.54 -1.24 3.00 -1.26 -5.02 117.38 103.33 3ifs n GLN 297 Ca -0.02 0.73 -0.26 0.00 -0.01 0.00 0.00 57.00 57.44 3ifs n GLN 297 Cb 0.54 -5.07 -0.08 0.00 0.00 0.00 0.00 30.24 25.64 3ifs n GLN 297 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3ifs s LYS 298 N -4.74 1.95 0.00 -1.09 1.02 -0.45 -5.15 119.74 111.27 3ifs s LYS 298 Ca 0.00 -2.19 0.00 0.00 0.02 0.00 0.00 55.97 53.80 3ifs s LYS 298 Cb 0.00 -0.72 0.00 0.00 -0.52 0.00 0.00 37.83 36.59 3ifs s LYS 298 CO 0.00 -0.45 0.00 0.41 -0.92 0.00 0.00 175.35 174.39 3ifs n GLY 299 N -0.94 2.99 3.73 -3.33 0.00 -1.26 -3.40 105.19 102.99 3ifs n GLY 299 Ca -0.07 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 3ifs n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ifs s ILE 300 N -1.05 2.90 -0.20 -0.61 1.01 -1.26 -4.97 121.20 117.02 3ifs s ILE 300 Ca 0.00 0.71 -0.27 0.00 0.00 0.00 0.00 60.65 61.08 3ifs s ILE 300 Cb 0.00 -3.45 -0.00 0.00 0.01 0.00 0.00 42.46 39.02 3ifs s ILE 300 CO 0.00 0.09 0.95 0.12 0.00 0.00 0.00 174.94 176.10 3ifs s PHE 301 N 0.48 3.38 -0.18 3.97 5.36 0.30 -4.83 117.98 126.47 3ifs s PHE 301 Ca 0.62 1.38 -0.23 0.00 -0.96 0.00 0.00 56.93 57.75 3ifs s PHE 301 Cb -0.40 -3.16 -0.02 0.00 -0.34 0.00 0.00 43.02 39.10 3ifs s PHE 301 CO 0.37 -0.37 0.71 -1.25 -1.46 0.00 0.00 175.22 173.22 3ifs s PRO 302 N 2.70 4.25 0.41 10.12 0.04 -1.26 -1.34 135.00 149.93 3ifs s PRO 302 Ca 0.42 0.78 0.03 0.00 0.04 0.00 0.00 61.00 62.27 3ifs s PRO 302 Cb -0.16 -3.57 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 3ifs s PRO 302 CO 0.10 -0.26 0.09 0.45 0.04 0.00 0.00 177.00 177.42 3ifs s SER 303 N 1.16 2.94 0.16 6.66 0.15 0.57 -4.97 113.70 120.38 3ifs s SER 303 Ca 0.33 -1.61 -0.19 0.00 0.70 0.00 0.00 55.95 55.17 3ifs s SER 303 Cb -0.16 0.39 0.05 0.00 -1.71 0.00 0.00 66.02 64.58 3ifs s SER 303 CO 0.11 -0.85 0.51 -0.94 1.20 0.00 0.00 173.24 173.27 3ifs s SER 304 N -3.63 -0.37 -0.04 5.45 1.04 -1.26 -1.28 113.70 113.62 3ifs s SER 304 Ca 0.23 -0.24 -0.21 0.00 0.48 0.00 0.00 55.95 56.21 3ifs s SER 304 Cb 0.04 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.75 3ifs s SER 304 CO 0.13 -0.95 0.45 0.00 0.98 0.00 0.00 173.24 173.85 3ifs s ALA 305 N -3.80 -1.16 -0.37 5.32 0.00 -0.61 -4.88 121.76 116.26 3ifs s ALA 305 Ca 0.04 0.75 -0.09 0.00 0.00 0.00 0.00 51.96 52.66 3ifs s ALA 305 Cb -0.00 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.15 3ifs s ALA 305 CO -0.10 -0.30 0.17 -0.80 0.00 0.00 0.00 175.76 174.74 3ifs s ASN 306 N -1.17 5.55 0.26 0.00 0.01 -1.26 -2.62 114.94 115.71 3ifs s ASN 306 Ca -0.12 -1.14 0.05 0.00 -0.71 0.00 0.00 52.86 50.94 3ifs s ASN 306 Cb -0.03 -1.95 -0.03 0.00 0.41 0.00 0.00 41.25 39.65 3ifs s ASN 306 CO 0.06 -0.39 0.39 -0.36 -1.51 0.00 0.00 177.10 175.29 3ifs s PHE 307 N 1.47 3.39 -1.80 2.20 0.08 0.11 -0.19 117.98 123.24 3ifs s PHE 307 Ca 0.01 -0.04 0.30 0.00 0.12 0.00 0.00 56.93 57.32 3ifs s PHE 307 Cb -0.20 -1.67 1.70 0.00 -0.57 0.00 0.00 43.02 42.29 3ifs s PHE 307 CO 0.04 0.34 2.11 -1.13 -0.10 0.00 0.00 175.22 176.48 3ifs n SER 308 N -1.47 0.00 -0.23 1.36 3.41 -1.26 -4.05 113.62 111.37 3ifs n SER 308 Ca -0.07 -0.67 -0.06 0.00 -0.26 0.00 0.00 58.87 57.81 3ifs n SER 308 Cb 0.57 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 3ifs n SER 308 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3ifs h THR 309 N 0.00 0.11 0.00 6.66 2.02 -1.91 0.17 112.91 119.96 3ifs h THR 309 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ifs h THR 309 Cb 0.09 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 3ifs h THR 309 CO 0.00 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.36 3ifs n ASP 310 N -5.43 0.00 0.13 4.18 8.00 0.74 -2.29 116.55 121.88 3ifs n ASP 310 Ca 0.04 -0.23 0.12 0.00 0.71 0.00 0.00 54.79 55.43 3ifs n ASP 310 Cb 0.36 -0.21 0.49 0.00 -0.02 0.00 0.00 41.12 41.74 3ifs n ASP 310 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ifs n LEU 311 N -1.21 0.68 -1.18 0.64 4.77 0.05 0.10 117.00 120.84 3ifs n LEU 311 Ca 0.13 0.66 0.12 0.00 -0.03 0.00 0.00 56.01 56.89 3ifs n LEU 311 Cb 0.15 -0.57 0.26 0.00 -2.33 0.00 0.00 43.42 40.93 3ifs n LEU 311 CO 0.16 -0.55 0.73 1.41 -1.33 0.00 0.00 177.39 177.81 3ifs n HIS 312 N -2.24 0.64 0.01 -1.77 8.25 -0.97 -3.19 115.22 115.95 3ifs n HIS 312 Ca 0.02 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 3ifs n HIS 312 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 3ifs n HIS 312 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3ifs n SER 313 N 1.47 0.03 -0.30 0.41 3.41 -0.75 -4.89 113.62 113.00 3ifs n SER 313 Ca 0.21 0.03 0.06 0.00 -0.26 0.00 0.00 58.87 58.91 3ifs n SER 313 Cb 0.59 0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.55 3ifs n SER 313 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ifs n LEU 314 N -2.79 1.43 -0.28 1.04 4.77 0.11 -4.64 117.00 116.65 3ifs n LEU 314 Ca 0.00 -0.79 0.03 0.00 -0.03 0.00 0.00 56.01 55.22 3ifs n LEU 314 Cb 0.20 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.46 3ifs n LEU 314 CO 0.00 0.28 1.11 1.23 -1.33 0.00 0.00 177.39 178.68 3ifs h GLY 315 N 2.54 1.22 0.83 -0.72 0.00 -1.35 0.11 103.07 105.70 3ifs h GLY 315 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.08 3ifs h GLY 315 CO 0.00 0.08 0.18 -1.61 0.00 0.00 0.00 176.54 175.18 3ifs h GLN 316 N 0.70 0.35 -0.22 4.80 5.75 -1.82 -1.79 115.11 122.88 3ifs h GLN 316 Ca 0.39 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.83 3ifs h GLN 316 Cb 0.41 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 3ifs h GLN 316 CO -0.27 0.23 -0.01 -0.92 -2.65 0.00 0.00 178.83 175.21 3ifs h TYR 317 N 0.36 0.42 -0.99 3.99 3.20 -1.58 -0.41 116.97 121.96 3ifs h TYR 317 Ca 0.15 -0.07 0.08 0.00 3.14 0.00 0.00 58.73 62.02 3ifs h TYR 317 Cb 0.06 -0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.15 3ifs h TYR 317 CO -0.10 0.58 0.63 0.28 -1.64 0.00 0.00 178.16 177.91 3ifs h VAL 318 N 0.14 1.04 -0.02 1.81 2.07 -0.75 0.50 116.25 121.05 3ifs h VAL 318 Ca 0.06 -0.38 -0.22 0.00 0.82 0.00 0.00 66.70 66.98 3ifs h VAL 318 Cb 0.41 -0.17 0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3ifs h VAL 318 CO 0.01 0.20 -0.85 -0.61 0.02 0.00 0.00 177.57 176.35 3ifs h GLN 319 N 1.12 0.62 0.00 1.57 5.75 -1.16 -3.42 115.11 119.59 3ifs h GLN 319 Ca 0.44 -0.63 0.00 0.00 -0.15 0.00 0.00 58.65 58.31 3ifs h GLN 319 Cb 0.24 0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.97 3ifs h GLN 319 CO -0.20 1.24 0.00 0.39 -2.65 0.00 0.00 178.83 177.61 3ifs n GLU 320 N -4.00 1.26 0.00 1.69 1.02 -0.18 -4.75 120.64 115.69 3ifs n GLU 320 Ca -0.10 -0.91 0.00 0.00 -0.02 0.00 0.00 57.16 56.13 3ifs n GLU 320 Cb 0.79 -0.73 0.00 0.00 -0.02 0.00 0.00 31.44 31.48 3ifs n GLU 320 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ifs n GLY 321 N -0.22 0.15 3.69 0.62 0.00 0.15 -4.99 105.19 104.60 3ifs n GLY 321 Ca 0.00 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 3ifs n GLY 321 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ifs n ARG 322 N 0.00 1.75 -2.47 1.61 5.12 -1.26 -4.92 116.66 116.49 3ifs n ARG 322 Ca 0.00 0.63 -0.41 0.00 -1.93 0.00 0.00 57.85 56.14 3ifs n ARG 322 Cb 0.00 -2.37 0.02 0.00 -1.16 0.00 0.00 32.46 28.95 3ifs n ARG 322 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3ifs n ARG 323 N -0.21 5.10 -0.16 5.56 5.12 -1.26 -4.50 116.66 126.31 3ifs n ARG 323 Ca 0.08 -4.36 0.09 0.00 -1.93 0.00 0.00 57.85 51.73 3ifs n ARG 323 Cb 0.41 -2.48 0.16 0.00 -1.16 0.00 0.00 32.46 29.39 3ifs n ARG 323 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3ifs n ASP 324 N 0.23 2.42 -4.34 0.55 8.00 -1.26 -4.80 116.55 117.34 3ifs n ASP 324 Ca 0.50 -3.17 -0.23 0.00 0.71 0.00 0.00 54.79 52.60 3ifs n ASP 324 Cb 0.26 -0.45 -0.11 0.00 -0.02 0.00 0.00 41.12 40.79 3ifs n ASP 324 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ifs s LEU 325 N -2.92 2.43 0.03 0.64 2.96 -1.26 -1.05 118.68 119.52 3ifs s LEU 325 Ca 0.34 -0.85 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 3ifs s LEU 325 Cb 0.30 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 46.09 3ifs s LEU 325 CO 0.02 -0.01 0.05 0.72 -1.32 0.00 0.00 176.35 175.82 3ifs s PHE 326 N -1.94 0.26 0.01 5.38 -0.12 -0.66 -4.33 117.98 116.59 3ifs s PHE 326 Ca 0.16 -0.59 0.07 0.00 -0.05 0.00 0.00 56.93 56.52 3ifs s PHE 326 Cb -0.06 -0.19 -0.03 0.00 -0.63 0.00 0.00 43.02 42.11 3ifs s PHE 326 CO 0.07 -0.32 -0.22 -1.21 -0.05 0.00 0.00 175.22 173.49 3ifs s GLU 327 N -2.52 2.07 -0.23 1.99 2.02 -0.35 -4.31 118.70 117.36 3ifs s GLU 327 Ca -0.06 -0.96 0.01 0.00 0.02 0.00 0.00 54.97 53.99 3ifs s GLU 327 Cb -0.02 -2.12 0.05 0.00 0.10 0.00 0.00 34.13 32.15 3ifs s GLU 327 CO -0.04 0.55 -0.09 0.99 0.02 0.00 0.00 175.26 176.68 3ifs s THR 328 N -0.78 1.79 -0.24 3.63 2.01 -1.26 -0.45 115.64 120.34 3ifs s THR 328 Ca 0.12 -1.28 -0.10 0.00 0.31 0.00 0.00 61.69 60.74 3ifs s THR 328 Cb -0.10 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.43 3ifs s THR 328 CO 0.02 0.03 0.15 -0.69 -0.69 0.00 0.00 174.62 173.44 3ifs s VAL 329 N 1.30 5.22 -0.35 3.82 1.01 0.56 -0.21 120.40 131.75 3ifs s VAL 329 Ca -0.05 0.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.83 3ifs s VAL 329 Cb -0.18 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.77 3ifs s VAL 329 CO -0.07 0.35 0.79 -0.76 0.00 0.00 0.00 175.10 175.40 3ifs s LEU 330 N 1.11 4.11 -0.22 3.92 1.43 0.70 -1.00 118.68 128.74 3ifs s LEU 330 Ca 0.07 0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 53.60 3ifs s LEU 330 Cb -0.14 -3.04 0.01 0.00 0.03 0.00 0.00 46.19 43.05 3ifs s LEU 330 CO 0.05 -0.70 -0.09 -0.75 0.23 0.00 0.00 176.35 175.09 3ifs s LYS 331 N 3.06 3.14 -0.15 1.70 2.47 -0.41 -4.15 119.74 125.40 3ifs s LYS 331 Ca 0.32 -0.77 -0.22 0.00 -1.56 0.00 0.00 55.97 53.74 3ifs s LYS 331 Cb -0.13 -2.90 -0.03 0.00 -1.46 0.00 0.00 37.83 33.31 3ifs s LYS 331 CO 0.16 -0.25 0.66 0.08 0.16 0.00 0.00 175.35 176.15 3ifs s VAL 332 N 1.39 5.03 0.03 4.02 1.01 -1.26 -0.80 120.40 129.83 3ifs s VAL 332 Ca 0.04 1.28 -0.20 0.00 0.00 0.00 0.00 61.98 63.10 3ifs s VAL 332 Cb -0.15 -3.98 -0.17 0.00 0.00 0.00 0.00 36.38 32.09 3ifs s VAL 332 CO -0.06 0.16 1.27 1.23 0.00 0.00 0.00 175.10 177.70 3ifs h GLY 333 N 7.65 0.41 -5.77 4.51 0.00 -0.21 -3.44 103.07 106.22 3ifs h GLY 333 Ca -0.35 -0.49 -0.67 0.00 0.00 0.00 0.00 47.33 45.82 3ifs h GLY 333 CO 0.77 0.44 -0.87 1.25 0.00 0.00 0.00 176.54 178.14 3ifs s LYS 334 N -3.97 3.02 0.34 4.80 2.47 -0.03 -5.01 119.74 121.35 3ifs s LYS 334 Ca -0.14 -0.85 -0.26 0.00 -1.56 0.00 0.00 55.97 53.16 3ifs s LYS 334 Cb 0.05 -2.46 -0.09 0.00 -1.46 0.00 0.00 37.83 33.86 3ifs s LYS 334 CO 0.77 -0.05 1.04 0.45 0.16 0.00 0.00 175.35 177.72 3ifs s SER 335 N 0.90 7.07 0.15 1.43 0.15 -1.26 -4.49 113.70 117.65 3ifs s SER 335 Ca -0.05 2.06 -0.16 0.00 0.70 0.00 0.00 55.95 58.50 3ifs s SER 335 Cb -0.15 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.58 3ifs s SER 335 CO -0.04 -0.27 1.82 0.74 1.20 0.00 0.00 173.24 176.69 3ifs h THR 336 N 2.59 1.10 -2.42 6.45 2.02 -1.99 -3.43 112.91 117.23 3ifs h THR 336 Ca -0.47 -0.19 -0.55 0.00 0.77 0.00 0.00 66.41 65.97 3ifs h THR 336 Cb 1.21 0.51 -0.14 0.00 -1.74 0.00 0.00 68.15 67.98 3ifs h THR 336 CO 0.64 0.10 -0.73 -1.00 0.37 0.00 0.00 175.52 174.91 3ifs s HIS 337 N -6.16 2.10 0.01 3.16 3.76 -1.26 -5.15 115.29 111.74 3ifs s HIS 337 Ca -0.13 -0.47 0.04 0.00 -0.15 0.00 0.00 55.06 54.35 3ifs s HIS 337 Cb 0.11 -1.01 -0.01 0.00 1.11 0.00 0.00 32.58 32.78 3ifs s HIS 337 CO 0.72 0.54 -0.13 -1.21 -0.85 0.00 0.00 174.74 173.81 3ifs s GLU 338 N -3.59 1.00 -0.04 1.40 0.41 -1.26 -4.95 118.70 111.66 3ifs s GLU 338 Ca 0.28 -0.56 0.01 0.00 -0.41 0.00 0.00 54.97 54.30 3ifs s GLU 338 Cb -0.02 -0.98 0.02 0.00 -1.78 0.00 0.00 34.13 31.37 3ifs s GLU 338 CO 0.12 0.26 -0.06 -0.51 -0.49 0.00 0.00 175.26 174.59 3ifs s LEU 339 N -0.58 1.50 -0.15 1.80 1.43 -1.26 -5.05 118.68 116.37 3ifs s LEU 339 Ca 0.04 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 3ifs s LEU 339 Cb -0.06 -0.48 -0.05 0.00 0.03 0.00 0.00 46.19 45.64 3ifs s LEU 339 CO 0.00 -0.01 0.21 -0.89 0.23 0.00 0.00 176.35 175.88 3ifs s THR 340 N 0.67 5.37 0.03 5.49 2.01 -1.26 -0.72 115.64 127.23 3ifs s THR 340 Ca -0.10 0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.97 3ifs s THR 340 Cb -0.13 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 3ifs s THR 340 CO 0.01 0.49 1.13 -0.63 -0.69 0.00 0.00 174.62 174.92 3ifs s ILE 341 N -0.12 4.31 0.21 1.82 1.01 0.46 -4.93 121.20 123.95 3ifs s ILE 341 Ca 0.14 1.65 0.05 0.00 0.00 0.00 0.00 60.65 62.50 3ifs s ILE 341 Cb -0.12 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 3ifs s ILE 341 CO 0.03 0.12 0.24 -1.61 0.00 0.00 0.00 174.94 173.72 3ifs s GLU 342 N 1.13 3.15 0.41 2.79 2.02 -1.26 -0.45 118.70 126.49 3ifs s GLU 342 Ca 0.56 -0.85 -0.10 0.00 0.02 0.00 0.00 54.97 54.60 3ifs s GLU 342 Cb -0.26 -2.74 -0.06 0.00 0.10 0.00 0.00 34.13 31.16 3ifs s GLU 342 CO 0.28 0.45 0.76 -1.54 0.02 0.00 0.00 175.26 175.24 3ifs s SER 343 N -3.59 6.50 0.26 -0.19 1.04 -1.26 -4.76 113.70 111.70 3ifs s SER 343 Ca 0.33 1.11 0.11 0.00 0.48 0.00 0.00 55.95 57.98 3ifs s SER 343 Cb -0.09 -2.31 -0.05 0.00 0.10 0.00 0.00 66.02 63.67 3ifs s SER 343 CO 0.26 -0.40 -0.18 -1.83 0.98 0.00 0.00 173.24 172.07 3ifs s GLU 344 N -3.89 1.75 0.18 4.02 -1.05 -1.26 -5.05 118.70 113.40 3ifs s GLU 344 Ca 0.51 -1.66 -0.13 0.00 -0.15 0.00 0.00 54.97 53.54 3ifs s GLU 344 Cb -0.10 -1.85 0.09 0.00 -0.44 0.00 0.00 34.13 31.83 3ifs s GLU 344 CO 0.32 0.35 1.85 1.49 0.95 0.00 0.00 175.26 180.22 3ifs h GLU 345 N 2.41 0.78 -4.81 -4.83 4.57 -2.06 -3.38 114.58 107.26 3ifs h GLU 345 Ca -0.42 -0.05 -0.68 0.00 -1.18 0.00 0.00 59.36 57.04 3ifs h GLU 345 Cb 1.25 -0.18 -0.35 0.00 -0.16 0.00 0.00 28.75 29.32 3ifs h GLU 345 CO 0.58 0.52 -0.74 1.21 -1.18 0.00 0.00 179.01 179.39 3ifs s ASN 346 N -5.74 4.71 0.00 1.04 2.47 -1.26 -5.02 114.94 111.14 3ifs s ASN 346 Ca -0.13 -1.35 -0.04 0.00 0.42 0.00 0.00 52.86 51.76 3ifs s ASN 346 Cb 0.13 -1.65 -0.18 0.00 -1.45 0.00 0.00 41.25 38.11 3ifs s ASN 346 CO 0.75 -0.24 2.66 -0.67 -3.72 0.00 0.00 177.10 175.89 3ifs n ASP 347 N 4.54 3.85 -0.33 -4.21 2.03 -1.26 -4.63 116.55 116.54 3ifs n ASP 347 Ca -0.13 -2.20 0.01 0.00 0.52 0.00 0.00 54.79 52.99 3ifs n ASP 347 Cb 0.43 -1.02 0.18 0.00 -0.72 0.00 0.00 41.12 39.99 3ifs n ASP 347 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3ifs h LEU 348 N 5.07 1.01 -0.02 -2.67 3.38 -1.96 -1.89 115.31 118.23 3ifs h LEU 348 Ca 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ifs h LEU 348 Cb 1.08 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3ifs h LEU 348 CO 0.27 0.69 -0.02 -0.90 0.09 0.00 0.00 178.44 178.57 3ifs n ASP 349 N -4.45 0.05 -1.19 -0.43 5.68 -1.26 -4.93 116.55 110.02 3ifs n ASP 349 Ca 0.13 -0.08 -0.12 0.00 -0.50 0.00 0.00 54.79 54.22 3ifs n ASP 349 Cb 0.11 -0.29 -0.02 0.00 -1.14 0.00 0.00 41.12 39.78 3ifs n ASP 349 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ifs n GLY 350 N 1.32 0.47 0.82 6.12 0.00 -0.71 -4.93 105.19 108.28 3ifs n GLY 350 Ca 0.13 -0.42 0.10 0.00 0.00 0.00 0.00 46.02 45.83 3ifs n GLY 350 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ifs n LEU 351 N -1.58 2.73 0.27 0.99 4.77 -1.26 -4.54 117.00 118.38 3ifs n LEU 351 Ca -0.13 -1.10 0.17 0.00 -0.03 0.00 0.00 56.01 54.91 3ifs n LEU 351 Cb 0.52 -0.04 0.92 0.00 -2.33 0.00 0.00 43.42 42.48 3ifs n LEU 351 CO 0.17 0.50 1.14 0.78 -1.33 0.00 0.00 177.39 178.66 3ifs h ASN 352 N 3.81 0.00 0.58 -1.43 2.35 -1.91 0.02 115.58 119.00 3ifs h ASN 352 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ifs h ASN 352 Cb 0.82 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.19 3ifs h ASN 352 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 3ifs n TYR 353 N -3.68 0.81 1.21 1.19 4.11 -1.26 -1.28 117.16 118.26 3ifs n TYR 353 Ca -0.01 0.34 0.13 0.00 -0.00 0.00 0.00 57.90 58.36 3ifs n TYR 353 Cb 0.20 -1.05 0.27 0.00 -0.00 0.00 0.00 39.34 38.76 3ifs n TYR 353 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 3ifs n LEU 354 N -2.26 1.76 -4.69 -3.48 4.77 -0.01 -4.95 117.00 108.15 3ifs n LEU 354 Ca 0.01 -0.58 -0.44 0.00 -0.03 0.00 0.00 56.01 54.97 3ifs n LEU 354 Cb 0.19 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3ifs n LEU 354 CO 0.18 0.31 1.22 0.00 -1.33 0.00 0.00 177.39 177.77 3ifs n ALA 355 N 0.09 1.85 0.00 -1.18 0.00 -0.41 -1.21 120.51 119.65 3ifs n ALA 355 Ca 0.14 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3ifs n ALA 355 Cb 0.43 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.48 3ifs n ALA 355 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ifs n GLY 356 N 3.26 3.45 3.92 0.00 0.00 0.40 -4.98 105.19 111.24 3ifs n GLY 356 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3ifs n GLY 356 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ifs s GLU 357 N -0.89 2.69 0.32 1.61 0.41 -0.35 -4.78 118.70 117.70 3ifs s GLU 357 Ca 0.00 -0.02 0.07 0.00 -0.41 0.00 0.00 54.97 54.60 3ifs s GLU 357 Cb 0.00 -2.21 -0.02 0.00 -1.78 0.00 0.00 34.13 30.13 3ifs s GLU 357 CO 0.00 -0.91 0.42 0.95 -0.49 0.00 0.00 175.26 175.23 3ifs s THR 358 N -3.12 4.16 0.34 3.63 -4.23 -1.26 -0.40 115.64 114.76 3ifs s THR 358 Ca 0.56 -1.06 0.04 0.00 -1.18 0.00 0.00 61.69 60.05 3ifs s THR 358 Cb -0.11 -3.44 0.16 0.00 1.34 0.00 0.00 72.50 70.46 3ifs s THR 358 CO 0.46 -0.19 1.88 0.58 -0.54 0.00 0.00 174.62 176.81 3ifs h VAL 359 N 1.00 1.19 -0.00 2.29 2.07 -1.29 -2.33 116.25 119.18 3ifs h VAL 359 Ca -0.46 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.24 3ifs h VAL 359 Cb 1.25 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3ifs h VAL 359 CO 0.55 0.26 -0.30 -0.78 0.02 0.00 0.00 177.57 177.32 3ifs h ASP 360 N 0.51 0.00 -0.34 0.57 3.58 -1.93 -1.27 116.42 117.54 3ifs h ASP 360 Ca 0.11 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.58 3ifs h ASP 360 Cb 0.31 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 3ifs h ASP 360 CO 0.01 0.31 0.17 0.15 -2.88 0.00 0.00 179.24 176.99 3ifs h PHE 361 N 0.00 0.31 -0.45 0.28 3.57 -1.81 -0.56 116.94 118.29 3ifs h PHE 361 Ca -0.00 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 3ifs h PHE 361 Cb 0.54 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3ifs h PHE 361 CO 0.00 0.17 0.15 0.28 -2.23 0.00 0.00 178.31 176.67 3ifs h VAL 362 N 0.35 1.22 -0.99 1.41 2.07 -1.26 -1.99 116.25 117.06 3ifs h VAL 362 Ca 0.14 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 66.98 3ifs h VAL 362 Cb 0.06 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 3ifs h VAL 362 CO -0.10 0.26 0.65 -1.13 0.02 0.00 0.00 177.57 177.27 3ifs h ASN 363 N 0.59 1.09 -0.28 0.57 -1.24 -0.96 -0.40 115.58 114.95 3ifs h ASN 363 Ca 0.15 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.11 3ifs h ASN 363 Cb 0.25 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 3ifs h ASN 363 CO -0.01 0.75 0.04 0.74 -1.29 0.00 0.00 177.43 177.66 3ifs h THR 364 N 1.27 1.24 -0.15 -3.57 2.02 -0.77 -1.39 112.91 111.56 3ifs h THR 364 Ca 0.39 -0.81 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 3ifs h THR 364 Cb -0.02 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3ifs h THR 364 CO -0.12 0.26 -0.22 0.11 0.37 0.00 0.00 175.52 175.92 3ifs h LYS 365 N 0.29 0.27 -0.18 6.66 1.79 -0.90 -0.71 116.57 123.80 3ifs h LYS 365 Ca 0.09 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 3ifs h LYS 365 Cb 0.35 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 3ifs h LYS 365 CO 0.01 0.49 0.06 0.00 -1.08 0.00 0.00 179.45 178.92 3ifs h ALA 366 N 1.53 0.23 -0.46 3.86 0.00 -0.91 -0.10 119.26 123.42 3ifs h ALA 366 Ca 0.04 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ifs h ALA 366 Cb 0.54 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3ifs h ALA 366 CO 0.04 -0.15 0.21 -0.92 0.00 0.00 0.00 179.25 178.43 3ifs h TYR 367 N 0.11 0.38 -0.27 0.00 5.03 -0.83 -1.07 116.97 120.32 3ifs h TYR 367 Ca 0.06 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.31 3ifs h TYR 367 Cb 0.23 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.40 3ifs h TYR 367 CO 0.00 0.18 -0.12 0.93 -1.32 0.00 0.00 178.16 177.83 3ifs h GLU 368 N 0.42 0.56 -0.73 1.82 5.08 -1.02 -1.19 114.58 119.52 3ifs h GLU 368 Ca 0.20 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3ifs h GLU 368 Cb 0.14 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3ifs h GLU 368 CO -0.16 0.80 0.35 0.78 -1.00 0.00 0.00 179.01 179.78 3ifs h GLY 369 N 0.30 1.12 1.00 -3.84 0.00 -0.93 -2.53 103.07 98.19 3ifs h GLY 369 Ca 0.06 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 3ifs h GLY 369 CO 0.04 0.53 -0.05 -0.84 0.00 0.00 0.00 176.54 176.21 3ifs h THR 370 N 1.02 1.27 -0.62 4.70 2.02 -1.16 -1.07 112.91 119.07 3ifs h THR 370 Ca 0.25 -1.14 0.01 0.00 0.77 0.00 0.00 66.41 66.30 3ifs h THR 370 Cb 0.11 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 3ifs h THR 370 CO -0.03 0.39 0.41 0.25 0.37 0.00 0.00 175.52 176.91 3ifs h LEU 371 N 0.66 0.71 -0.33 2.58 6.46 -1.05 0.10 115.31 124.43 3ifs h LEU 371 Ca 0.12 -0.02 -0.13 0.00 -0.12 0.00 0.00 57.88 57.73 3ifs h LEU 371 Cb 0.57 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 3ifs h LEU 371 CO 0.03 0.51 -0.29 -0.07 -0.62 0.00 0.00 178.44 178.00 3ifs h LEU 372 N 0.84 0.83 -0.36 2.25 3.38 -1.35 -1.80 115.31 119.10 3ifs h LEU 372 Ca 0.23 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3ifs h LEU 372 Cb -0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3ifs h LEU 372 CO -0.05 1.11 0.18 0.00 0.09 0.00 0.00 178.44 179.77 3ifs h ALA 373 N 0.74 0.46 -0.67 1.53 0.00 -0.94 -1.01 119.26 119.37 3ifs h ALA 373 Ca 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3ifs h ALA 373 Cb 0.87 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3ifs h ALA 373 CO 0.07 0.02 0.29 0.45 0.00 0.00 0.00 179.25 180.08 3ifs h HIS 374 N 0.45 1.00 -0.32 0.00 3.86 -0.77 -1.23 115.15 118.14 3ifs h HIS 374 Ca 0.12 -0.07 0.03 0.00 -1.16 0.00 0.00 60.37 59.29 3ifs h HIS 374 Cb 0.10 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.24 3ifs h HIS 374 CO -0.02 0.77 0.14 0.77 0.86 0.00 0.00 177.93 180.45 3ifs h SER 375 N 0.94 0.19 0.38 2.45 0.02 -1.14 -0.79 113.55 115.60 3ifs h SER 375 Ca 0.23 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 3ifs h SER 375 Cb 0.18 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3ifs h SER 375 CO -0.02 0.15 -0.05 0.44 -1.14 0.00 0.00 176.83 176.20 3ifs h ASP 376 N 0.30 0.00 -0.04 3.07 3.32 -0.77 -1.64 116.42 120.66 3ifs h ASP 376 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3ifs h ASP 376 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3ifs h ASP 376 CO -0.11 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.07 3ifs n GLY 377 N -0.69 -0.24 0.28 2.75 0.00 -0.43 -4.91 105.19 101.95 3ifs n GLY 377 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3ifs n GLY 377 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ifs n GLY 378 N 1.10 0.91 3.24 -0.02 0.00 -0.62 -4.85 105.19 104.95 3ifs n GLY 378 Ca 0.19 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3ifs n GLY 378 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ifs s VAL 379 N -2.00 3.52 0.23 1.61 1.01 -0.44 -4.93 120.40 119.40 3ifs s VAL 379 Ca 0.00 -1.22 -0.31 0.00 0.00 0.00 0.00 61.98 60.45 3ifs s VAL 379 Cb 0.00 -3.00 -0.11 0.00 0.00 0.00 0.00 36.38 33.26 3ifs s VAL 379 CO 0.00 -0.15 1.66 -2.84 0.00 0.00 0.00 175.10 173.77 3ifs s PRO 380 N 1.35 4.14 -0.16 2.72 0.02 -1.26 -3.39 135.00 138.42 3ifs s PRO 380 Ca -0.03 2.56 -0.00 0.00 0.02 0.00 0.00 61.00 63.55 3ifs s PRO 380 Cb -0.20 -3.07 -0.00 0.00 0.02 0.00 0.00 34.50 31.25 3ifs s PRO 380 CO 0.02 -0.69 -0.14 -0.80 -0.33 0.00 0.00 177.00 175.05 3ifs s ASN 381 N 0.96 3.74 0.09 2.53 0.01 -1.26 -1.21 114.94 119.79 3ifs s ASN 381 Ca 0.70 -0.45 0.05 0.00 -0.71 0.00 0.00 52.86 52.45 3ifs s ASN 381 Cb -0.48 -1.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.56 3ifs s ASN 381 CO 0.37 0.08 -0.03 -0.76 -1.51 0.00 0.00 177.10 175.25 3ifs s LEU 382 N 0.85 3.33 -0.06 0.60 1.43 0.40 -3.84 118.68 121.40 3ifs s LEU 382 Ca -0.04 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 52.88 3ifs s LEU 382 Cb -0.15 -2.07 -0.00 0.00 0.03 0.00 0.00 46.19 43.99 3ifs s LEU 382 CO -0.00 0.18 -0.20 -0.63 0.23 0.00 0.00 176.35 175.93 3ifs s ILE 383 N -1.26 1.71 -0.29 -0.59 1.01 -0.44 -0.32 121.20 121.01 3ifs s ILE 383 Ca 0.24 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3ifs s ILE 383 Cb -0.11 -1.47 0.06 0.00 0.01 0.00 0.00 42.46 40.95 3ifs s ILE 383 CO 0.16 0.48 -0.03 -0.69 0.00 0.00 0.00 174.94 174.86 3ifs s VAL 384 N 0.05 2.58 -0.22 2.92 1.01 -0.17 -0.60 120.40 125.97 3ifs s VAL 384 Ca -0.06 -1.62 -0.20 0.00 0.00 0.00 0.00 61.98 60.10 3ifs s VAL 384 Cb -0.13 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 3ifs s VAL 384 CO 0.04 -0.15 0.59 0.20 0.00 0.00 0.00 175.10 175.77 3ifs s ASN 385 N 1.18 6.60 -0.27 3.32 0.01 -0.12 -1.29 114.94 124.38 3ifs s ASN 385 Ca -0.05 0.73 -0.02 0.00 -0.71 0.00 0.00 52.86 52.81 3ifs s ASN 385 Cb -0.20 -2.32 0.03 0.00 0.41 0.00 0.00 41.25 39.17 3ifs s ASN 385 CO -0.04 -0.27 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.62 3ifs s ILE 386 N 2.02 2.95 0.18 0.60 1.01 0.02 -1.97 121.20 126.02 3ifs s ILE 386 Ca 0.26 -1.13 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 3ifs s ILE 386 Cb -0.16 -2.57 0.09 0.00 0.01 0.00 0.00 42.46 39.84 3ifs s ILE 386 CO 0.10 0.09 1.76 -0.65 0.00 0.00 0.00 174.94 176.23 3ifs h PRO 387 N 8.01 0.37 -2.36 2.79 0.11 -1.83 0.36 132.00 139.45 3ifs h PRO 387 Ca -0.29 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.94 3ifs h PRO 387 Cb 1.09 -0.08 -0.11 0.00 0.11 0.00 0.00 31.00 32.01 3ifs h PRO 387 CO 0.56 0.25 0.47 -1.83 -0.21 0.00 0.00 178.00 177.24 3ifs s GLU 388 N -6.13 1.06 -0.49 1.05 -1.05 -1.26 -0.85 118.70 111.02 3ifs s GLU 388 Ca -0.13 -0.51 -0.20 0.00 -0.15 0.00 0.00 54.97 53.98 3ifs s GLU 388 Cb 0.15 0.41 0.05 0.00 -0.44 0.00 0.00 34.13 34.29 3ifs s GLU 388 CO 0.73 -0.48 0.64 -0.51 0.95 0.00 0.00 175.26 176.60 3ifs s LEU 389 N -2.74 4.79 0.27 1.83 1.43 -1.26 -4.77 118.68 118.22 3ifs s LEU 389 Ca 0.09 -0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 52.31 3ifs s LEU 389 Cb -0.01 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.68 3ifs s LEU 389 CO -0.03 -0.87 0.56 0.54 0.23 0.00 0.00 176.35 176.78 3ifs s ASN 390 N 2.49 -0.06 0.20 2.29 2.20 -1.26 -5.00 114.94 115.81 3ifs s ASN 390 Ca 0.18 -0.90 -0.11 0.00 -0.94 0.00 0.00 52.86 51.09 3ifs s ASN 390 Cb -0.17 0.65 0.19 0.00 -2.00 0.00 0.00 41.25 39.91 3ifs s ASN 390 CO 0.14 -1.24 1.82 -0.33 -2.94 0.00 0.00 177.10 174.55 3ifs h GLU 391 N 2.16 0.69 -0.27 3.55 3.07 -1.93 -1.11 114.58 120.75 3ifs h GLU 391 Ca -0.25 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.61 3ifs h GLU 391 Cb 1.25 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 28.97 3ifs h GLU 391 CO 0.33 0.46 0.04 -0.92 -1.40 0.00 0.00 179.01 177.52 3ifs h TYR 392 N 0.71 0.07 -0.39 4.33 5.03 -1.89 -1.41 116.97 123.41 3ifs h TYR 392 Ca 0.27 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.52 3ifs h TYR 392 Cb 0.10 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.37 3ifs h TYR 392 CO -0.07 0.01 -0.09 1.15 -1.32 0.00 0.00 178.16 177.85 3ifs h THR 393 N 0.14 1.24 -0.27 1.81 2.02 -1.79 -1.50 112.91 114.56 3ifs h THR 393 Ca 0.13 -1.07 -0.02 0.00 0.77 0.00 0.00 66.41 66.22 3ifs h THR 393 Cb 0.14 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3ifs h THR 393 CO -0.18 0.36 0.11 0.15 0.37 0.00 0.00 175.52 176.34 3ifs h PHE 394 N 0.62 0.42 -0.84 3.16 3.04 -0.68 0.99 116.94 123.65 3ifs h PHE 394 Ca 0.11 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.03 3ifs h PHE 394 Cb 0.52 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 38.86 3ifs h PHE 394 CO 0.02 0.42 0.52 0.78 -2.02 0.00 0.00 178.31 178.03 3ifs h GLY 395 N 0.30 1.21 0.93 2.40 0.00 -1.00 0.50 103.07 107.41 3ifs h GLY 395 Ca 0.09 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 3ifs h GLY 395 CO -0.01 0.48 0.11 -1.82 0.00 0.00 0.00 176.54 175.30 3ifs h TYR 396 N 1.15 0.62 -0.53 5.60 5.03 -0.99 -2.36 116.97 125.49 3ifs h TYR 396 Ca 0.30 -0.07 -0.08 0.00 2.58 0.00 0.00 58.73 61.47 3ifs h TYR 396 Cb -0.06 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.02 3ifs h TYR 396 CO -0.00 0.60 0.02 1.25 -1.32 0.00 0.00 178.16 178.70 3ifs h LEU 397 N 0.47 0.90 -0.71 2.82 5.85 -0.56 -0.97 115.31 123.12 3ifs h LEU 397 Ca 0.12 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.56 3ifs h LEU 397 Cb 0.27 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3ifs h LEU 397 CO -0.00 0.98 0.46 0.58 -0.34 0.00 0.00 178.44 180.11 3ifs h VAL 398 N 0.80 1.14 -0.40 1.05 2.07 -0.83 -2.32 116.25 117.75 3ifs h VAL 398 Ca 0.15 -0.31 -0.14 0.00 0.82 0.00 0.00 66.70 67.22 3ifs h VAL 398 Cb 0.50 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3ifs h VAL 398 CO 0.02 0.17 -0.30 0.22 0.02 0.00 0.00 177.57 177.70 3ifs h TYR 399 N 0.91 1.03 -0.13 1.57 5.03 -1.04 -0.58 116.97 123.77 3ifs h TYR 399 Ca 0.27 -0.27 0.05 0.00 2.58 0.00 0.00 58.73 61.36 3ifs h TYR 399 Cb -0.04 -0.23 -0.06 0.00 1.55 0.00 0.00 36.73 37.94 3ifs h TYR 399 CO -0.03 1.07 -0.31 0.35 -1.32 0.00 0.00 178.16 177.92 3ifs h PHE 400 N 0.74 -0.85 -0.59 -3.82 3.57 -0.98 -0.58 116.94 114.45 3ifs h PHE 400 Ca 0.08 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 3ifs h PHE 400 Cb 0.86 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 3ifs h PHE 400 CO 0.05 -0.39 -0.03 0.74 -2.23 0.00 0.00 178.31 176.45 3ifs h PHE 401 N -0.38 1.16 -0.52 0.41 0.04 -1.23 -0.79 116.94 115.63 3ifs h PHE 401 Ca 0.10 -0.21 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 3ifs h PHE 401 Cb 0.53 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 3ifs h PHE 401 CO -0.40 1.03 0.31 0.93 -0.60 0.00 0.00 178.31 179.59 3ifs h GLU 402 N 0.96 0.70 -0.26 1.51 5.08 -0.83 0.11 114.58 121.85 3ifs h GLU 402 Ca 0.16 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 3ifs h GLU 402 Cb 0.59 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3ifs h GLU 402 CO 0.04 0.51 -0.49 -0.22 -1.00 0.00 0.00 179.01 177.85 3ifs h LYS 403 N 0.69 0.79 -0.73 2.33 1.63 -1.03 -1.91 116.57 118.34 3ifs h LYS 403 Ca 0.19 -0.50 -0.05 0.00 -0.85 0.00 0.00 60.65 59.44 3ifs h LYS 403 Cb -0.02 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 3ifs h LYS 403 CO -0.04 1.13 0.28 0.00 -3.45 0.00 0.00 179.45 177.37 3ifs h ALA 404 N 0.66 1.10 -0.46 5.00 0.00 -0.97 -2.80 119.26 121.79 3ifs h ALA 404 Ca 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3ifs h ALA 404 Cb 1.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3ifs h ALA 404 CO 0.11 0.63 0.19 0.00 0.00 0.00 0.00 179.25 180.18 3ifs n ALA 406 N -2.32 0.94 0.00 0.00 0.00 -0.74 -1.49 120.51 116.91 3ifs n ALA 406 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3ifs n ALA 406 Cb 0.14 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3ifs n ALA 406 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ifs n SER 408 N 0.23 0.00 -0.08 0.00 2.88 0.27 -2.17 113.62 114.75 3ifs n SER 408 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 3ifs n SER 408 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 3ifs n SER 408 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3ifs h GLY 409 N 0.00 0.40 1.30 0.46 0.00 -1.52 0.60 103.07 104.30 3ifs h GLY 409 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 3ifs h GLY 409 CO 0.00 0.15 0.18 -0.97 0.00 0.00 0.00 176.54 175.90 3ifs h TYR 410 N 0.38 0.91 -0.12 5.60 0.05 -1.61 -1.52 116.97 120.65 3ifs h TYR 410 Ca 0.10 -0.07 -0.12 0.00 0.05 0.00 0.00 58.73 58.69 3ifs h TYR 410 Cb -0.03 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.43 3ifs h TYR 410 CO -0.05 0.74 -0.44 -0.07 -1.05 0.00 0.00 178.16 177.28 3ifs h LEU 411 N 0.86 0.30 -1.22 3.88 3.38 -1.69 -2.49 115.31 118.33 3ifs h LEU 411 Ca 0.19 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3ifs h LEU 411 Cb 0.26 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3ifs h LEU 411 CO -0.01 0.70 -0.23 0.25 0.09 0.00 0.00 178.44 179.24 3ifs h LEU 412 N 0.23 0.00 0.00 1.67 5.85 -0.42 -3.47 115.31 119.18 3ifs h LEU 412 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3ifs h LEU 412 Cb 0.87 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3ifs h LEU 412 CO 0.07 0.23 0.00 0.61 -0.34 0.00 0.00 178.44 179.01 3ifs n GLY 413 N 0.02 1.44 3.67 3.75 0.00 -0.64 -5.09 105.19 108.34 3ifs n GLY 413 Ca -0.00 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 3ifs n GLY 413 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ifs s VAL 414 N -2.00 1.38 -0.44 1.61 -7.23 -0.77 -5.04 120.40 107.91 3ifs s VAL 414 Ca 0.00 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.95 3ifs s VAL 414 Cb 0.00 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.47 3ifs s VAL 414 CO 0.00 0.00 0.71 0.21 -0.31 0.00 0.00 175.10 175.71 3ifs s ASN 415 N -3.77 6.37 0.00 4.85 3.84 -1.26 -4.24 114.94 120.72 3ifs s ASN 415 Ca 0.19 -0.22 0.22 0.00 0.21 0.00 0.00 52.86 53.26 3ifs s ASN 415 Cb 0.05 -2.35 0.95 0.00 -0.55 0.00 0.00 41.25 39.35 3ifs s ASN 415 CO 0.10 -0.84 1.72 -2.65 -2.79 0.00 0.00 177.10 172.64 3ifs n PRO 416 N 6.46 0.00 -0.04 0.43 -0.02 -1.26 -4.03 135.00 136.54 3ifs n PRO 416 Ca 0.00 0.12 0.05 0.00 -2.02 0.00 0.00 63.50 61.65 3ifs n PRO 416 Cb 0.48 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.53 3ifs n PRO 416 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ifs n PHE 417 N -1.50 0.11 -3.93 6.00 3.72 -1.26 -4.37 117.46 116.23 3ifs n PHE 417 Ca 0.05 -0.13 -0.26 0.00 -0.05 0.00 0.00 57.45 57.06 3ifs n PHE 417 Cb 0.26 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.78 3ifs n PHE 417 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3ifs s ASP 418 N -0.89 4.61 -0.45 4.37 -4.77 -1.26 -4.94 116.67 113.35 3ifs s ASP 418 Ca 0.14 -1.23 0.07 0.00 -3.30 0.00 0.00 52.55 48.23 3ifs s ASP 418 Cb 0.09 0.32 0.31 0.00 -1.09 0.00 0.00 42.92 42.55 3ifs s ASP 418 CO 0.13 -1.03 0.97 0.00 0.70 0.00 0.00 175.17 175.94 3ifs n GLN 419 N -1.69 0.95 0.30 2.11 0.00 -1.26 -4.76 117.38 113.01 3ifs n GLN 419 Ca -0.02 -2.23 0.18 0.00 0.00 0.00 0.00 57.00 54.93 3ifs n GLN 419 Cb 0.64 -1.24 0.89 0.00 0.00 0.00 0.00 30.24 30.53 3ifs n GLN 419 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 3ifs h PRO 420 N 3.25 0.00 0.00 2.61 0.13 -1.98 -3.06 132.00 132.95 3ifs h PRO 420 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3ifs h PRO 420 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3ifs h PRO 420 CO 0.25 0.04 0.00 0.78 -0.23 0.00 0.00 178.00 178.84 3ifs h GLY 421 N 0.96 0.00 2.00 1.56 0.00 -1.94 -3.19 103.07 102.46 3ifs h GLY 421 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ifs h GLY 421 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 3ifs n VAL 422 N -2.61 0.39 0.06 4.60 0.24 -1.16 -3.47 118.33 116.39 3ifs n VAL 422 Ca 0.03 -0.01 -0.05 0.00 -2.04 0.00 0.00 64.34 62.27 3ifs n VAL 422 Cb 0.34 -0.66 0.14 0.00 -1.47 0.00 0.00 33.84 32.19 3ifs n VAL 422 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3ifs h GLU 423 N 0.00 0.32 0.07 7.34 4.81 -1.78 -3.28 114.58 122.06 3ifs h GLU 423 Ca 0.00 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 59.06 3ifs h GLU 423 Cb 0.51 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 3ifs h GLU 423 CO 0.00 0.76 -0.31 0.00 -0.73 0.00 0.00 179.01 178.73 3ifs h ALA 424 N 1.20 -0.50 -0.65 2.92 0.00 -1.80 -0.87 119.26 119.57 3ifs h ALA 424 Ca 0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3ifs h ALA 424 Cb 0.99 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 3ifs h ALA 424 CO 0.08 -0.84 0.08 0.10 0.00 0.00 0.00 179.25 178.67 3ifs h TYR 425 N -0.50 1.17 -0.31 0.00 -0.00 -1.80 -2.80 116.97 112.72 3ifs h TYR 425 Ca 0.04 -0.17 0.04 0.00 0.00 0.00 0.00 58.73 58.64 3ifs h TYR 425 Cb 0.56 -0.32 -0.04 0.00 0.00 0.00 0.00 36.73 36.94 3ifs h TYR 425 CO -0.31 0.99 0.08 0.87 -0.00 0.00 0.00 178.16 179.79 3ifs h LYS 426 N 1.01 0.19 -0.32 0.10 1.57 -1.50 -2.71 116.57 114.92 3ifs h LYS 426 Ca 0.19 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3ifs h LYS 426 Cb 0.47 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3ifs h LYS 426 CO 0.02 0.13 0.19 -0.22 -0.57 0.00 0.00 179.45 178.99 3ifs h LYS 427 N 0.20 0.37 -1.12 3.15 3.64 -1.07 0.56 116.57 122.31 3ifs h LYS 427 Ca 0.14 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3ifs h LYS 427 Cb 0.14 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3ifs h LYS 427 CO -0.17 0.25 0.00 0.09 -2.27 0.00 0.00 179.45 177.35 3ifs n ASN 428 N -4.91 0.22 0.00 4.20 3.02 -1.02 -1.85 115.26 114.91 3ifs n ASN 428 Ca -0.01 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 3ifs n ASN 428 Cb 0.05 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3ifs n ASN 428 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3ifs n PHE 430 N 0.73 0.00 0.29 3.10 3.72 0.19 -1.54 117.46 123.95 3ifs n PHE 430 Ca 0.00 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.24 3ifs n PHE 430 Cb 0.04 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.50 3ifs n PHE 430 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ifs h ALA 431 N 0.00 -0.74 0.00 4.37 0.00 -1.62 -1.26 119.26 120.01 3ifs h ALA 431 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3ifs h ALA 431 Cb 0.00 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ifs h ALA 431 CO 0.00 -0.92 -0.13 -0.07 0.00 0.00 0.00 179.25 178.12 3ifs h LEU 432 N -0.74 0.00 -1.31 0.00 3.38 -1.56 -1.63 115.31 113.45 3ifs h LEU 432 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3ifs h LEU 432 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3ifs h LEU 432 CO 0.08 0.13 -0.13 -0.07 0.09 0.00 0.00 178.44 178.54 3ifs h LEU 433 N 0.00 0.00 0.00 1.67 3.38 -1.79 -3.46 115.31 115.11 3ifs h LEU 433 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ifs h LEU 433 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3ifs h LEU 433 CO 0.02 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.29 3ifs n GLY 434 N 0.04 1.12 3.74 0.83 0.00 -0.61 -5.06 105.19 105.24 3ifs n GLY 434 Ca 0.00 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 3ifs n GLY 434 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ifs s LYS 435 N -0.72 4.30 0.25 1.61 2.20 -0.49 -4.93 119.74 121.96 3ifs s LYS 435 Ca 0.00 2.23 -0.31 0.00 -0.36 0.00 0.00 55.97 57.53 3ifs s LYS 435 Cb 0.00 -3.14 -0.14 0.00 -1.51 0.00 0.00 37.83 33.04 3ifs s LYS 435 CO 0.00 -0.39 1.26 -2.30 -0.36 0.00 0.00 175.35 173.56 3ifs n PRO 436 N 2.65 1.71 0.00 4.03 -0.02 -1.26 -2.51 135.00 139.60 3ifs n PRO 436 Ca 0.07 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3ifs n PRO 436 Cb 0.41 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3ifs n PRO 436 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ifs n GLY 437 N 1.76 2.61 1.00 -1.23 0.00 -1.26 -4.91 105.19 103.16 3ifs n GLY 437 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 3ifs n GLY 437 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ifs n PHE 438 N -2.00 0.89 -0.26 1.61 3.01 -1.04 -4.72 117.46 114.96 3ifs n PHE 438 Ca 0.00 -0.63 0.06 0.00 1.01 0.00 0.00 57.45 57.89 3ifs n PHE 438 Cb 0.00 -0.16 0.30 0.00 -0.01 0.00 0.00 39.48 39.61 3ifs n PHE 438 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 3ifs h GLU 439 N 2.65 0.86 0.09 -1.08 9.09 -1.89 -0.06 114.58 124.25 3ifs h GLU 439 Ca 0.00 -0.05 0.01 0.00 0.05 0.00 0.00 59.36 59.37 3ifs h GLU 439 Cb 1.13 -0.19 -0.02 0.00 -1.65 0.00 0.00 28.75 28.01 3ifs h GLU 439 CO 0.12 0.57 -0.17 1.49 0.05 0.00 0.00 179.01 181.08 3ifs h GLU 440 N 0.89 -0.31 -0.44 1.06 4.81 -1.98 -2.08 114.58 116.52 3ifs h GLU 440 Ca 0.37 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.53 3ifs h GLU 440 Cb 0.28 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3ifs h GLU 440 CO -0.14 -0.20 -0.08 1.25 -0.73 0.00 0.00 179.01 179.11 3ifs h LEU 441 N -0.32 0.76 -0.21 1.64 5.85 -1.78 -2.83 115.31 118.42 3ifs h LEU 441 Ca 0.03 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.56 3ifs h LEU 441 Cb 0.34 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3ifs h LEU 441 CO -0.10 0.87 0.02 0.50 -0.34 0.00 0.00 178.44 179.40 3ifs h LYS 442 N 0.71 0.09 -0.09 1.25 3.64 -0.84 0.21 116.57 121.54 3ifs h LYS 442 Ca 0.13 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3ifs h LYS 442 Cb 0.55 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 3ifs h LYS 442 CO 0.03 0.06 -0.10 0.00 -2.27 0.00 0.00 179.45 177.18 3ifs h ALA 443 N 1.16 -0.03 -0.31 5.00 0.00 -1.26 -0.89 119.26 122.93 3ifs h ALA 443 Ca 0.10 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3ifs h ALA 443 Cb 0.11 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3ifs h ALA 443 CO -0.15 -0.56 0.12 1.49 0.00 0.00 0.00 179.25 180.15 3ifs h GLU 444 N -0.12 0.25 -0.54 0.00 4.81 -1.21 -1.84 114.58 115.93 3ifs h GLU 444 Ca 0.07 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 3ifs h GLU 444 Cb 0.22 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3ifs h GLU 444 CO -0.16 0.17 0.03 -0.07 -0.73 0.00 0.00 179.01 178.24 3ifs h LEU 445 N 0.26 0.87 -1.01 1.64 3.38 -0.40 -2.75 115.31 117.29 3ifs h LEU 445 Ca 0.14 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3ifs h LEU 445 Cb 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3ifs h LEU 445 CO -0.13 0.91 0.19 -0.33 0.09 0.00 0.00 178.44 179.17 3ifs h GLU 446 N 0.84 0.90 -0.47 1.13 5.08 -0.88 -0.92 114.58 120.27 3ifs h GLU 446 Ca 0.16 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3ifs h GLU 446 Cb 0.46 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3ifs h GLU 446 CO 0.02 0.77 0.30 1.49 -1.00 0.00 0.00 179.01 180.59 3ifs h GLU 447 N 0.87 0.58 -0.08 2.33 4.57 -1.12 0.21 114.58 121.95 3ifs h GLU 447 Ca 0.20 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.30 3ifs h GLU 447 Cb 0.25 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3ifs h GLU 447 CO -0.01 0.39 -0.16 0.00 -1.18 0.00 0.00 179.01 178.04 3ifs h ARG 448 N 0.60 0.13 0.00 1.92 3.08 -1.11 -2.30 114.38 116.69 3ifs h ARG 448 Ca 0.18 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 3ifs h ARG 448 Cb -0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3ifs h ARG 448 CO -0.06 0.29 -0.43 -0.07 -1.07 0.00 0.00 179.97 178.63 3ifs h LEU 449 N 0.12 0.00 0.00 3.04 3.38 -0.35 -3.52 115.31 117.98 3ifs h LEU 449 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ifs h LEU 449 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ifs h LEU 449 CO 0.02 0.41 0.00 0.29 0.09 0.00 0.00 178.44 179.25