#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 0.24 0.05 6.66 -4.23 -1.26 -5.06 115.64 112.05 3ifs s THR 3 Ca 0.00 -1.04 -0.27 0.00 -1.18 0.00 0.00 61.69 59.19 3ifs s THR 3 Cb 0.00 -0.48 -0.17 0.00 1.34 0.00 0.00 72.50 73.19 3ifs s THR 3 CO 0.00 -0.52 1.50 -0.74 -0.54 0.00 0.00 174.62 174.33 3ifs h HIS 4 N 4.46 -0.44 -3.02 3.99 2.76 -1.97 -3.39 115.15 117.53 3ifs h HIS 4 Ca -0.33 -0.01 -0.62 0.00 -2.20 0.00 0.00 60.37 57.21 3ifs h HIS 4 Cb 1.20 0.15 -0.08 0.00 1.55 0.00 0.00 27.41 30.23 3ifs h HIS 4 CO 0.65 -0.19 -0.32 0.08 -1.30 0.00 0.00 177.93 176.84 3ifs s VAL 5 N -5.54 5.26 0.25 5.26 1.01 -1.26 -4.51 120.40 120.87 3ifs s VAL 5 Ca -0.15 0.57 0.12 0.00 0.00 0.00 0.00 61.98 62.52 3ifs s VAL 5 Cb 0.04 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 3ifs s VAL 5 CO 0.60 0.52 -0.21 0.42 0.00 0.00 0.00 175.10 176.43 3ifs s THR 6 N -0.47 2.40 -0.14 3.92 -4.23 -0.98 -4.97 115.64 111.16 3ifs s THR 6 Ca 0.19 -2.28 0.02 0.00 -1.18 0.00 0.00 61.69 58.44 3ifs s THR 6 Cb -0.14 -2.23 0.01 0.00 1.34 0.00 0.00 72.50 71.48 3ifs s THR 6 CO 0.07 -0.33 -0.22 0.12 -0.54 0.00 0.00 174.62 173.73 3ifs s PHE 7 N -2.28 2.65 -0.20 3.99 5.36 -1.26 -0.72 117.98 125.52 3ifs s PHE 7 Ca 0.27 -1.36 0.01 0.00 -0.96 0.00 0.00 56.93 54.89 3ifs s PHE 7 Cb -0.06 -1.81 0.04 0.00 -0.34 0.00 0.00 43.02 40.86 3ifs s PHE 7 CO 0.13 -0.63 -0.10 0.34 -1.46 0.00 0.00 175.22 173.51 3ifs s ASP 8 N 0.86 3.44 0.00 6.13 2.15 0.21 -4.95 116.67 124.50 3ifs s ASP 8 Ca -0.06 -0.91 0.12 0.00 0.43 0.00 0.00 52.55 52.13 3ifs s ASP 8 Cb -0.15 -1.23 0.26 0.00 -0.30 0.00 0.00 42.92 41.49 3ifs s ASP 8 CO -0.03 -0.15 1.15 0.00 -0.17 0.00 0.00 175.17 175.97 3ifs n TYR 9 N 4.68 0.34 0.26 -5.34 0.18 -1.26 -1.02 117.16 114.99 3ifs n TYR 9 Ca -0.14 -0.34 0.10 0.00 1.88 0.00 0.00 57.90 59.40 3ifs n TYR 9 Cb 0.46 -0.02 0.67 0.00 -0.38 0.00 0.00 39.34 40.08 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 2.29 0.00 0.50 9.48 4.64 -1.92 -0.50 113.55 128.04 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 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3ifs h SER 10 CO 0.00 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.35 3ifs n LYS 11 N -4.06 0.41 -0.35 4.77 4.76 -1.26 -3.03 118.16 119.40 3ifs n LYS 11 Ca -0.02 0.03 0.07 0.00 -2.87 0.00 0.00 58.31 55.51 3ifs n LYS 11 Cb 0.19 -1.50 0.23 0.00 -1.84 0.00 0.00 35.03 32.10 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 -1.28 2.65 0.30 7.82 0.00 -0.20 -4.69 120.51 125.12 3ifs n ALA 12 Ca 0.13 -1.70 0.18 0.00 0.00 0.00 0.00 53.44 52.06 3ifs n ALA 12 Cb 0.21 -0.63 0.85 0.00 0.00 0.00 0.00 19.45 19.89 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 2.22 0.00 -0.14 0.00 3.38 -1.57 0.75 115.31 119.95 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 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3ifs h LEU 13 CO 0.13 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.12 3ifs n SER 14 N -2.93 0.40 -0.08 -0.43 3.41 -1.26 -3.54 113.62 109.19 3ifs n SER 14 Ca -0.01 0.56 -0.08 0.00 -0.26 0.00 0.00 58.87 59.09 3ifs n SER 14 Cb 0.19 -0.66 -0.12 0.00 -0.26 0.00 0.00 64.21 63.36 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 -1.90 0.00 -3.83 7.33 3.01 0.15 -4.97 117.46 117.24 3ifs n PHE 15 Ca 0.05 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.31 3ifs n PHE 15 Cb 0.32 -0.76 -0.17 0.00 -0.01 0.00 0.00 39.48 38.85 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 -2.38 0.20 0.41 4.37 2.07 -0.57 -5.07 121.20 120.23 3ifs s ILE 16 Ca -0.08 0.16 -0.12 0.00 -1.41 0.00 0.00 60.65 59.21 3ifs s ILE 16 Cb 0.05 -0.34 -0.07 0.00 0.13 0.00 0.00 42.46 42.23 3ifs s ILE 16 CO 0.64 0.19 0.80 -0.83 -1.91 0.00 0.00 174.94 173.83 3ifs s GLY 17 N 1.57 1.99 0.42 1.50 0.00 -1.26 -4.22 107.32 107.32 3ifs s GLY 17 Ca -0.02 -0.13 0.12 0.00 0.00 0.00 0.00 44.72 44.69 3ifs s GLY 17 CO -0.03 0.07 1.98 0.83 0.00 0.00 0.00 173.10 175.95 3ifs h GLU 18 N 1.29 0.45 0.00 2.90 4.39 -2.00 -1.51 114.58 120.11 3ifs h GLU 18 Ca -0.47 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 3ifs h GLU 18 Cb 1.19 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 3ifs h GLU 18 CO 0.64 0.30 -0.06 1.12 -1.16 0.00 0.00 179.01 179.84 3ifs h HIS 19 N 0.46 0.00 -0.05 4.33 2.07 -1.98 -1.59 115.15 118.39 3ifs h HIS 19 Ca 0.28 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.74 3ifs h HIS 19 Cb 0.49 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.46 3ifs h HIS 19 CO -0.00 0.06 -0.27 0.93 -3.07 0.00 0.00 177.93 175.58 3ifs h GLU 20 N 0.00 0.09 0.02 5.12 5.08 -1.66 -0.46 114.58 122.77 3ifs h GLU 20 Ca -0.00 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3ifs h GLU 20 Cb 0.12 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3ifs h GLU 20 CO 0.01 0.35 -0.25 0.82 -1.00 0.00 0.00 179.01 178.94 3ifs h ILE 21 N 0.08 1.67 -1.00 3.13 2.04 -1.44 -3.34 117.51 118.65 3ifs h ILE 21 Ca 0.01 -2.36 0.19 0.00 1.00 0.00 0.00 64.86 63.70 3ifs h ILE 21 Cb 0.52 3.26 -0.11 0.00 -0.74 0.00 0.00 36.82 39.75 3ifs h ILE 21 CO 0.04 0.60 0.60 0.74 0.00 0.00 0.00 178.15 180.13 3ifs h THR 22 N -0.90 0.69 0.00 -0.27 2.02 -1.12 -1.49 112.91 111.84 3ifs h THR 22 Ca -0.06 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3ifs h THR 22 Cb 1.13 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3ifs h THR 22 CO 0.00 0.13 0.00 1.88 0.37 0.00 0.00 175.52 177.91 3ifs h TYR 23 N 0.74 0.00 -0.18 3.16 0.05 -1.20 -2.63 116.97 116.91 3ifs h TYR 23 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.36 3ifs h TYR 23 Cb 0.92 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.66 3ifs h TYR 23 CO -0.01 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.38 3ifs n LEU 24 N -2.38 2.67 -0.06 3.88 7.99 -0.56 -4.61 117.00 123.94 3ifs n LEU 24 Ca -0.00 -1.04 -0.08 0.00 -0.01 0.00 0.00 56.01 54.88 3ifs n LEU 24 Cb 0.13 -0.11 -0.02 0.00 -0.11 0.00 0.00 43.42 43.31 3ifs n LEU 24 CO 0.15 0.52 0.68 -0.09 -1.51 0.00 0.00 177.39 177.14 3ifs h ARG 25 N 3.78 -0.25 -0.65 3.23 2.43 -1.57 0.94 114.38 122.28 3ifs h ARG 25 Ca 0.00 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3ifs h ARG 25 Cb 0.82 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 3ifs h ARG 25 CO 0.00 -0.17 0.34 -0.44 -1.51 0.00 0.00 179.97 178.19 3ifs h ASP 26 N -0.26 0.83 -0.67 -3.80 3.32 -1.85 -1.17 116.42 112.82 3ifs h ASP 26 Ca 0.14 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 3ifs h ASP 26 Cb 0.49 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 3ifs h ASP 26 CO -0.42 0.71 0.13 0.00 -1.72 0.00 0.00 179.24 177.94 3ifs h ALA 27 N 1.16 0.95 -0.51 3.45 0.00 -1.75 -2.55 119.26 120.00 3ifs h ALA 27 Ca 0.23 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3ifs h ALA 27 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3ifs h ALA 27 CO -0.03 0.66 0.05 0.28 0.00 0.00 0.00 179.25 180.21 3ifs h VAL 28 N 1.04 1.26 -0.23 0.00 2.07 -0.52 -1.97 116.25 117.90 3ifs h VAL 28 Ca 0.21 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.74 3ifs h VAL 28 Cb 0.41 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3ifs h VAL 28 CO 0.01 0.36 0.13 0.50 0.02 0.00 0.00 177.57 178.58 3ifs h LYS 29 N 0.74 0.26 -0.14 1.57 3.64 -1.03 0.96 116.57 122.56 3ifs h LYS 29 Ca 0.15 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 3ifs h LYS 29 Cb 0.45 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3ifs h LYS 29 CO 0.02 0.17 -0.32 -0.24 -2.27 0.00 0.00 179.45 176.81 3ifs h VAL 30 N 0.27 1.27 -0.19 2.00 3.04 -1.43 -2.31 116.25 118.91 3ifs h VAL 30 Ca 0.09 -1.32 -0.19 0.00 -1.01 0.00 0.00 66.70 64.27 3ifs h VAL 30 Cb 0.00 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 3ifs h VAL 30 CO -0.05 0.40 -0.64 0.74 -1.01 0.00 0.00 177.57 177.01 3ifs h THR 31 N 0.25 1.31 -0.48 3.17 2.02 -1.02 -1.95 112.91 116.20 3ifs h THR 31 Ca 0.03 -1.89 0.04 0.00 0.77 0.00 0.00 66.41 65.36 3ifs h THR 31 Cb 0.70 1.85 -0.04 0.00 -1.74 0.00 0.00 68.15 68.92 3ifs h THR 31 CO 0.05 0.59 0.24 -0.74 0.37 0.00 0.00 175.52 176.03 3ifs h HIS 32 N 0.50 0.43 -0.50 3.16 6.17 -0.51 -1.05 115.15 123.35 3ifs h HIS 32 Ca -0.01 0.02 -0.09 0.00 0.71 0.00 0.00 60.37 61.00 3ifs h HIS 32 Cb 1.23 -0.12 -0.02 0.00 2.52 0.00 0.00 27.41 31.02 3ifs h HIS 32 CO 0.06 0.21 -0.04 0.45 0.71 0.00 0.00 177.93 179.33 3ifs h HIS 33 N 0.47 0.94 -0.79 5.26 3.86 -1.30 -1.46 115.15 122.13 3ifs h HIS 33 Ca 0.21 -0.15 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3ifs h HIS 33 Cb 0.12 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.30 3ifs h HIS 33 CO -0.10 0.87 0.52 0.00 0.86 0.00 0.00 177.93 180.08 3ifs h ALA 34 N 1.16 1.45 -0.06 2.45 0.00 -0.78 0.49 119.26 123.96 3ifs h ALA 34 Ca 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ifs h ALA 34 Cb 0.53 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ifs h ALA 34 CO 0.03 0.50 -0.02 0.82 0.00 0.00 0.00 179.25 180.58 3ifs h ILE 35 N 1.05 1.30 -0.03 0.00 2.04 -0.69 -0.37 117.51 120.82 3ifs h ILE 35 Ca 0.29 -0.96 -0.16 0.00 1.00 0.00 0.00 64.86 65.03 3ifs h ILE 35 Cb -0.09 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3ifs h ILE 35 CO -0.07 0.26 -0.71 0.45 0.00 0.00 0.00 178.15 178.08 3ifs h HIS 36 N -0.23 0.23 0.00 1.37 3.86 -0.89 -3.12 115.15 116.38 3ifs h HIS 36 Ca 0.02 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 3ifs h HIS 36 Cb 0.43 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.87 3ifs h HIS 36 CO 0.06 0.82 -0.38 0.39 0.86 0.00 0.00 177.93 179.68 3ifs n GLU 37 N -3.76 0.22 -3.12 2.45 1.02 0.17 -4.98 120.64 112.63 3ifs n GLU 37 Ca -0.02 0.10 -0.13 0.00 -0.02 0.00 0.00 57.16 57.08 3ifs n GLU 37 Cb 0.69 -1.68 0.07 0.00 -0.02 0.00 0.00 31.44 30.51 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 -2.02 -5.03 0.00 3.49 5.02 -0.22 -4.97 118.16 114.44 3ifs n LYS 38 Ca 0.05 0.68 0.05 0.00 -2.02 0.00 0.00 58.31 57.06 3ifs n LYS 38 Cb 0.41 -5.17 -0.03 0.00 -0.02 0.00 0.00 35.03 30.22 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 -3.45 0.00 -2.36 -0.18 -2.24 -0.79 -4.85 114.28 100.42 3ifs n THR 39 Ca -0.22 -0.33 -0.07 0.00 -2.27 0.00 0.00 64.05 61.16 3ifs n THR 39 Cb 0.63 1.05 0.04 0.00 -2.10 0.00 0.00 70.33 69.95 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 1.08 0.74 3.77 3.38 0.00 -1.25 -4.98 105.19 107.93 3ifs n GLY 40 Ca 0.03 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.66 3ifs n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifs s ALA 41 N -2.89 3.39 -1.39 4.61 0.00 -1.26 -2.41 121.76 121.81 3ifs s ALA 41 Ca 0.21 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.66 3ifs s ALA 41 Cb -0.01 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3ifs s ALA 41 CO 0.14 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.22 3ifs n GLY 42 N 0.54 1.05 0.10 0.00 0.00 -1.26 -4.64 105.19 100.99 3ifs n GLY 42 Ca 0.03 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.32 0.40 0.00 1.61 0.23 -1.01 -1.12 115.26 115.05 3ifs n ASN 43 Ca -0.14 0.66 0.15 0.00 -0.53 0.00 0.00 54.58 54.71 3ifs n ASN 43 Cb 0.49 -0.72 0.86 0.00 -2.08 0.00 0.00 39.78 38.33 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 -2.01 0.00 -2.36 0.53 8.00 -1.26 -3.84 116.55 115.61 3ifs n ASP 44 Ca 0.00 -0.87 -0.21 0.00 0.71 0.00 0.00 54.79 54.42 3ifs n ASP 44 Cb 0.08 -0.02 0.02 0.00 -0.02 0.00 0.00 41.12 41.18 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 -1.02 2.73 -0.85 1.24 3.72 -0.28 -4.36 117.46 118.64 3ifs n PHE 45 Ca 0.21 -2.65 0.08 0.00 -0.05 0.00 0.00 57.45 55.05 3ifs n PHE 45 Cb 0.11 -0.22 0.22 0.00 -0.94 0.00 0.00 39.48 38.64 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 -0.54 3.49 0.30 4.37 4.77 -1.13 -4.60 117.00 123.65 3ifs n LEU 46 Ca 0.35 -2.84 0.18 0.00 -0.03 0.00 0.00 56.01 53.66 3ifs n LEU 46 Cb 0.81 -0.47 0.91 0.00 -2.33 0.00 0.00 43.42 42.35 3ifs n LEU 46 CO 0.33 0.68 1.07 1.23 -1.33 0.00 0.00 177.39 179.37 3ifs h GLY 47 N 1.55 0.00 2.00 -0.72 0.00 -1.30 -2.22 103.07 102.37 3ifs h GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ifs h GLY 47 CO 0.15 0.00 0.00 0.11 0.00 0.00 0.00 176.54 176.80 3ifs h TRP 48 N 0.00 0.00 -0.08 5.60 5.08 -1.84 -2.98 115.95 121.73 3ifs h TRP 48 Ca -0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 3ifs h TRP 48 Cb 0.24 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.39 3ifs h TRP 48 CO 0.00 0.00 0.03 0.28 -1.28 0.00 0.00 178.44 177.47 3ifs h VAL 49 N 0.00 1.16 -0.13 0.12 2.07 -1.78 -3.25 116.25 114.45 3ifs h VAL 49 Ca 0.00 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3ifs h VAL 49 Cb 0.54 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3ifs h VAL 49 CO 0.00 0.14 0.00 0.47 0.02 0.00 0.00 177.57 178.20 3ifs n ASP 50 N -4.92 2.96 -0.27 0.57 8.00 -1.25 -4.60 116.55 117.04 3ifs n ASP 50 Ca -0.06 -1.92 0.08 0.00 0.71 0.00 0.00 54.79 53.60 3ifs n ASP 50 Cb 0.13 -0.07 0.22 0.00 -0.02 0.00 0.00 41.12 41.38 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 4.20 0.17 -2.19 0.64 5.85 -1.55 0.16 115.31 122.59 3ifs h LEU 51 Ca 0.00 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.90 3ifs h LEU 51 Cb 0.91 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3ifs h LEU 51 CO 0.00 0.01 0.12 -0.65 -0.34 0.00 0.00 178.44 177.58 3ifs h PRO 52 N 0.35 0.00 0.04 5.25 0.11 -1.81 -1.26 132.00 134.68 3ifs h PRO 52 Ca 0.46 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 66.20 3ifs h PRO 52 Cb 0.79 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.86 3ifs h PRO 52 CO -0.49 0.00 -2.13 -0.11 -0.21 0.00 0.00 178.00 175.06 3ifs n LEU 53 N -4.11 2.50 -1.30 2.35 7.94 -0.62 -4.59 117.00 119.17 3ifs n LEU 53 Ca 0.00 0.16 0.08 0.00 -1.11 0.00 0.00 56.01 55.14 3ifs n LEU 53 Cb 0.24 -0.97 0.31 0.00 0.53 0.00 0.00 43.42 43.52 3ifs n LEU 53 CO 0.31 0.74 0.77 0.00 -1.11 0.00 0.00 177.39 178.09 3ifs n GLN 54 N -3.71 3.57 -1.56 1.96 6.02 -0.05 -5.02 117.38 118.58 3ifs n GLN 54 Ca -0.41 -2.79 -0.37 0.00 -0.01 0.00 0.00 57.00 53.43 3ifs n GLN 54 Cb 0.94 -1.84 0.06 0.00 1.02 0.00 0.00 30.24 30.43 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 0.54 0.81 -1.84 1.08 4.11 -0.49 -4.83 117.16 116.55 3ifs n TYR 55 Ca 0.23 0.42 -0.43 0.00 -0.00 0.00 0.00 57.90 58.12 3ifs n TYR 55 Cb 0.86 -2.13 -0.03 0.00 -0.00 0.00 0.00 39.34 38.05 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 -1.37 5.72 0.20 9.48 -1.08 -1.26 -4.88 116.67 123.48 3ifs s ASP 56 Ca 0.76 1.56 -0.06 0.00 -0.52 0.00 0.00 52.55 54.29 3ifs s ASP 56 Cb -0.39 -2.52 0.14 0.00 -1.46 0.00 0.00 42.92 38.69 3ifs s ASP 56 CO 0.47 -1.81 1.60 0.11 0.52 0.00 0.00 175.17 176.06 3ifs h LYS 57 N 13.74 0.80 -0.26 4.34 1.57 -1.99 -1.74 116.57 133.04 3ifs h LYS 57 Ca -0.37 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.07 3ifs h LYS 57 Cb 1.20 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 3ifs h LYS 57 CO 1.00 0.97 0.16 0.93 -0.57 0.00 0.00 179.45 181.94 3ifs h GLU 58 N 0.69 0.35 -0.50 3.15 5.08 -2.00 -1.62 114.58 119.74 3ifs h GLU 58 Ca 0.09 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3ifs h GLU 58 Cb 0.79 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 3ifs h GLU 58 CO 0.06 0.28 0.18 1.49 -1.00 0.00 0.00 179.01 180.02 3ifs h GLU 59 N 0.33 0.75 -0.78 2.33 4.81 -1.96 -2.22 114.58 117.85 3ifs h GLU 59 Ca 0.09 -0.15 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 3ifs h GLU 59 Cb 0.01 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.21 3ifs h GLU 59 CO -0.02 0.69 0.46 0.35 -0.73 0.00 0.00 179.01 179.76 3ifs h PHE 60 N 0.66 0.84 -0.31 0.92 3.04 -1.09 0.10 116.94 121.11 3ifs h PHE 60 Ca 0.16 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.08 3ifs h PHE 60 Cb 0.23 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.46 3ifs h PHE 60 CO 0.01 0.39 -0.06 0.00 -2.02 0.00 0.00 178.31 176.63 3ifs h ALA 61 N 1.40 1.32 -0.03 2.41 0.00 -0.95 -2.05 119.26 121.36 3ifs h ALA 61 Ca 0.35 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3ifs h ALA 61 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3ifs h ALA 61 CO -0.20 0.46 -0.69 -0.09 0.00 0.00 0.00 179.25 178.73 3ifs h ARG 62 N 0.47 0.16 -0.21 0.00 2.43 -0.60 -1.63 114.38 115.01 3ifs h ARG 62 Ca 0.09 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3ifs h ARG 62 Cb 0.41 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3ifs h ARG 62 CO 0.02 0.79 0.12 0.82 -1.51 0.00 0.00 179.97 180.21 3ifs h ILE 63 N 0.11 1.02 -0.53 1.20 2.04 -0.18 0.37 117.51 121.54 3ifs h ILE 63 Ca -0.02 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3ifs h ILE 63 Cb 1.23 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 3ifs h ILE 63 CO 0.10 0.05 0.35 1.56 0.00 0.00 0.00 178.15 180.21 3ifs h GLN 64 N 0.25 0.70 -0.18 2.37 4.20 -1.22 0.68 115.11 121.91 3ifs h GLN 64 Ca 0.08 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3ifs h GLN 64 Cb -0.01 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 3ifs h GLN 64 CO -0.04 0.47 0.11 -0.22 -0.67 0.00 0.00 178.83 178.49 3ifs h LYS 65 N 0.72 0.25 -0.76 1.46 3.64 -1.01 -1.37 116.57 119.50 3ifs h LYS 65 Ca 0.19 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3ifs h LYS 65 Cb -0.07 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 3ifs h LYS 65 CO -0.04 0.19 0.29 0.00 -2.27 0.00 0.00 179.45 177.62 3ifs h ALA 67 N 1.15 1.23 -0.37 0.00 0.00 -0.59 -1.47 119.26 119.21 3ifs h ALA 67 Ca 0.25 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3ifs h ALA 67 Cb 0.23 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ifs h ALA 67 CO -0.02 0.58 -0.28 0.93 0.00 0.00 0.00 179.25 180.46 3ifs h GLU 68 N 1.27 0.78 -0.25 0.00 4.39 -0.98 -0.78 114.58 119.01 3ifs h GLU 68 Ca 0.36 -0.35 0.01 0.00 0.34 0.00 0.00 59.36 59.72 3ifs h GLU 68 Cb -0.11 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 3ifs h GLU 68 CO -0.09 0.97 0.15 -0.22 -1.16 0.00 0.00 179.01 178.66 3ifs h LYS 69 N 0.67 0.30 -0.41 2.33 3.64 -0.84 -2.26 116.57 120.01 3ifs h LYS 69 Ca 0.08 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3ifs h LYS 69 Cb 0.81 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 3ifs h LYS 69 CO 0.07 0.20 0.18 0.82 -2.27 0.00 0.00 179.45 178.45 3ifs h ILE 70 N 0.31 1.18 -0.25 2.00 2.04 -1.09 -1.79 117.51 119.91 3ifs h ILE 70 Ca 0.10 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.43 3ifs h ILE 70 Cb -0.01 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3ifs h ILE 70 CO -0.04 0.20 0.17 0.11 0.00 0.00 0.00 178.15 178.59 3ifs h LYS 71 N 0.52 0.25 -0.01 2.37 1.57 -0.96 -0.72 116.57 119.59 3ifs h LYS 71 Ca 0.14 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3ifs h LYS 71 Cb 0.15 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3ifs h LYS 71 CO -0.02 0.17 -0.53 0.09 -0.57 0.00 0.00 179.45 178.59 3ifs n ASN 72 N -4.50 1.15 0.00 0.86 3.02 -0.87 -4.43 115.26 110.49 3ifs n ASN 72 Ca 0.01 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 3ifs n ASN 72 Cb 0.13 0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 3ifs n ASN 72 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3ifs n ASP 73 N -0.87 0.86 -3.97 6.41 5.68 -0.71 -5.07 116.55 118.88 3ifs n ASP 73 Ca 0.08 -1.36 -0.16 0.00 -0.50 0.00 0.00 54.79 52.86 3ifs n ASP 73 Cb 0.37 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.21 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 -0.36 0.67 0.10 -1.12 0.01 -0.31 -4.69 113.70 107.99 3ifs s SER 74 Ca 0.00 -0.15 0.15 0.00 1.31 0.00 0.00 55.95 57.26 3ifs s SER 74 Cb 0.00 -0.06 -0.11 0.00 0.21 0.00 0.00 66.02 66.06 3ifs s SER 74 CO 0.00 0.04 0.97 0.44 0.41 0.00 0.00 173.24 175.09 3ifs h ASP 75 N 5.85 0.00 -3.73 2.44 3.32 -0.97 -3.41 116.42 119.91 3ifs h ASP 75 Ca -0.29 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.54 3ifs h ASP 75 Cb 1.19 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.46 3ifs h ASP 75 CO 0.49 0.64 -0.68 -0.63 -1.72 0.00 0.00 179.24 177.34 3ifs s ILE 76 N -2.88 -0.00 -0.20 0.35 1.01 -0.91 -0.73 121.20 117.85 3ifs s ILE 76 Ca -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 3ifs s ILE 76 Cb 0.08 -0.06 -0.01 0.00 0.01 0.00 0.00 42.46 42.49 3ifs s ILE 76 CO 0.80 0.00 -0.06 -0.22 0.00 0.00 0.00 174.94 175.46 3ifs s LEU 77 N 0.06 2.88 -0.35 2.97 2.96 0.22 -1.84 118.68 125.58 3ifs s LEU 77 Ca -0.00 -0.36 -0.13 0.00 -0.22 0.00 0.00 54.13 53.42 3ifs s LEU 77 Cb -0.01 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 3ifs s LEU 77 CO -0.00 0.04 0.25 -0.22 -1.32 0.00 0.00 176.35 175.10 3ifs s LEU 78 N 1.14 4.59 -0.21 -0.68 2.96 -0.12 -1.15 118.68 125.21 3ifs s LEU 78 Ca 0.02 -0.47 -0.15 0.00 -0.22 0.00 0.00 54.13 53.30 3ifs s LEU 78 Cb -0.14 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 3ifs s LEU 78 CO -0.01 -0.26 0.37 -0.69 -1.32 0.00 0.00 176.35 174.44 3ifs s VAL 79 N 1.73 5.21 -0.32 1.68 1.01 0.30 -1.00 120.40 129.01 3ifs s VAL 79 Ca 0.06 0.64 -0.06 0.00 0.00 0.00 0.00 61.98 62.63 3ifs s VAL 79 Cb -0.18 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.54 3ifs s VAL 79 CO 0.11 0.25 0.08 -0.69 0.00 0.00 0.00 175.10 174.85 3ifs s VAL 80 N 1.33 3.68 -0.14 2.92 1.01 -0.30 -1.17 120.40 127.72 3ifs s VAL 80 Ca 0.18 -1.07 -0.34 0.00 0.00 0.00 0.00 61.98 60.74 3ifs s VAL 80 Cb -0.15 -3.04 0.15 0.00 0.00 0.00 0.00 36.38 33.35 3ifs s VAL 80 CO 0.08 -0.10 1.44 -0.83 0.00 0.00 0.00 175.10 175.69 3ifs s GLY 81 N 1.40 -0.44 0.06 4.51 0.00 -0.99 -0.76 107.32 111.10 3ifs s GLY 81 Ca -0.01 1.19 -0.03 0.00 0.00 0.00 0.00 44.72 45.87 3ifs s GLY 81 CO 0.02 0.28 0.03 -1.50 0.00 0.00 0.00 173.10 171.94 3ifs s ILE 82 N -2.00 0.19 0.00 0.90 2.07 -1.26 -3.19 121.20 117.91 3ifs s ILE 82 Ca 0.14 -1.58 0.00 0.00 -1.41 0.00 0.00 60.65 57.80 3ifs s ILE 82 Cb 0.06 -1.40 0.00 0.00 0.13 0.00 0.00 42.46 41.25 3ifs s ILE 82 CO -0.06 -0.87 0.00 0.61 -1.91 0.00 0.00 174.94 172.71 3ifs n GLY 83 N 0.14 3.90 0.29 1.50 0.00 -1.26 -1.63 105.19 108.13 3ifs n GLY 83 Ca -0.15 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.00 -0.02 0.00 -1.96 -0.50 103.07 99.58 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 -3.84 1.41 0.02 0.19 7.64 -0.65 -4.43 113.62 113.97 3ifs n SER 85 Ca -0.03 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.78 3ifs n SER 85 Cb 0.12 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 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 0.12 -0.26 -0.15 1.43 9.36 -0.37 -4.24 117.16 123.05 3ifs n TYR 86 Ca 0.07 0.05 -0.10 0.00 3.32 0.00 0.00 57.90 61.24 3ifs n TYR 86 Cb 0.26 0.45 -0.00 0.00 -0.63 0.00 0.00 39.34 39.42 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 0.71 -0.42 2.98 3.38 -1.37 -2.48 115.31 118.11 3ifs h LEU 87 Ca 0.00 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3ifs h LEU 87 Cb 0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3ifs h LEU 87 CO 0.00 0.79 0.26 1.23 0.09 0.00 0.00 178.44 180.81 3ifs h GLY 88 N 0.60 0.60 0.88 0.83 0.00 -1.81 0.10 103.07 104.27 3ifs h GLY 88 Ca 0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 3ifs h GLY 88 CO 0.01 0.24 0.06 0.00 0.00 0.00 0.00 176.54 176.84 3ifs h ALA 89 N 1.12 0.35 -0.67 3.60 0.00 -1.86 -1.85 119.26 119.95 3ifs h ALA 89 Ca 0.15 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3ifs h ALA 89 Cb -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3ifs h ALA 89 CO -0.03 0.02 0.14 -0.09 0.00 0.00 0.00 179.25 179.30 3ifs h ARG 90 N 0.26 1.09 -0.33 0.00 2.43 -1.30 -1.06 114.38 115.46 3ifs h ARG 90 Ca 0.08 -0.27 0.04 0.00 -0.81 0.00 0.00 59.98 59.02 3ifs h ARG 90 Cb 0.31 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 3ifs h ARG 90 CO 0.00 0.97 0.12 0.00 -1.51 0.00 0.00 179.97 179.55 3ifs h ALA 91 N 1.12 0.38 -0.23 2.80 0.00 -0.56 -1.04 119.26 121.74 3ifs h ALA 91 Ca 0.21 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3ifs h ALA 91 Cb 0.39 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3ifs h ALA 91 CO 0.01 -0.28 -0.09 0.00 0.00 0.00 0.00 179.25 178.89 3ifs h ALA 92 N 1.21 0.31 -0.66 0.00 0.00 -1.12 -3.25 119.26 115.75 3ifs h ALA 92 Ca 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3ifs h ALA 92 Cb 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3ifs h ALA 92 CO -0.15 0.14 0.34 0.82 0.00 0.00 0.00 179.25 180.40 3ifs h ILE 93 N 0.18 1.22 0.00 0.00 2.04 -1.06 -1.83 117.51 118.06 3ifs h ILE 93 Ca 0.05 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3ifs h ILE 93 Cb 0.57 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3ifs h ILE 93 CO 0.03 0.25 0.00 -0.62 0.00 0.00 0.00 178.15 177.81 3ifs n GLU 94 N -4.49 0.78 0.00 2.37 1.02 -0.41 -2.33 120.64 117.59 3ifs n GLU 94 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3ifs n GLU 94 Cb 0.11 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 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 0.83 0.00 -4.78 -4.62 4.77 -0.69 -4.80 117.00 107.70 3ifs n LEU 96 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 3ifs n LEU 96 Cb 0.39 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 3ifs n LEU 96 CO 0.00 0.00 -0.11 0.20 -1.33 0.00 0.00 177.39 176.15 3ifs s ASN 97 N 0.00 4.53 0.29 -1.43 0.01 -0.98 -5.03 114.94 112.33 3ifs s ASN 97 Ca 0.00 -1.09 -0.28 0.00 -0.71 0.00 0.00 52.86 50.79 3ifs s ASN 97 Cb 0.00 -0.31 -0.14 0.00 0.41 0.00 0.00 41.25 41.21 3ifs s ASN 97 CO 0.00 -0.66 0.94 1.57 -1.51 0.00 0.00 177.10 177.44 3ifs n HIS 98 N -1.36 1.01 0.21 2.20 -0.00 -1.26 -4.85 115.22 111.16 3ifs n HIS 98 Ca -0.01 0.72 0.15 0.00 -0.00 0.00 0.00 57.72 58.58 3ifs n HIS 98 Cb 0.64 -2.21 0.79 0.00 -0.00 0.00 0.00 29.99 29.22 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 1.81 0.00 -0.66 0.26 0.02 -1.98 -1.83 113.55 111.17 3ifs h SER 99 Ca -0.38 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.08 3ifs h SER 99 Cb 1.35 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.51 3ifs h SER 99 CO 0.60 0.00 -0.79 0.49 -1.14 0.00 0.00 176.83 175.98 3ifs n PHE 100 N -4.02 2.43 -0.37 3.45 3.01 -1.26 -4.93 117.46 115.78 3ifs n PHE 100 Ca 0.01 -2.14 -0.10 0.00 1.01 0.00 0.00 57.45 56.23 3ifs n PHE 100 Cb 0.27 -0.33 -0.09 0.00 -0.01 0.00 0.00 39.48 39.33 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 -0.75 -0.38 0.34 1.38 9.36 -0.69 -0.77 117.16 125.65 3ifs n TYR 101 Ca 0.41 1.09 0.15 0.00 3.32 0.00 0.00 57.90 62.86 3ifs n TYR 101 Cb 0.94 -0.57 0.55 0.00 -0.63 0.00 0.00 39.34 39.63 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 1.08 2.98 2.35 -1.91 -3.10 115.58 116.98 3ifs h ASN 102 Ca 0.14 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3ifs h ASN 102 Cb 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3ifs h ASN 102 CO -0.82 0.00 -0.95 0.74 -1.65 0.00 0.00 177.43 174.75 3ifs h THR 103 N 0.00 0.20 -4.13 2.81 2.02 -1.35 -3.47 112.91 108.98 3ifs h THR 103 Ca 0.00 -1.36 -0.50 0.00 0.77 0.00 0.00 66.41 65.32 3ifs h THR 103 Cb 0.54 1.77 0.17 0.00 -1.74 0.00 0.00 68.15 68.89 3ifs h THR 103 CO 0.00 0.11 0.23 -0.76 0.37 0.00 0.00 175.52 175.47 3ifs s LEU 104 N -5.66 2.57 0.82 2.58 1.43 -0.80 -5.03 118.68 114.58 3ifs s LEU 104 Ca 0.00 1.90 -0.12 0.00 -1.03 0.00 0.00 54.13 54.88 3ifs s LEU 104 Cb 0.09 -4.32 0.08 0.00 0.03 0.00 0.00 46.19 42.07 3ifs s LEU 104 CO 0.78 -2.88 1.17 -0.94 0.23 0.00 0.00 176.35 174.71 3ifs s SER 105 N -2.97 4.41 0.21 2.29 1.04 -1.26 -4.81 113.70 112.61 3ifs s SER 105 Ca 0.65 0.84 -0.10 0.00 0.48 0.00 0.00 55.95 57.82 3ifs s SER 105 Cb -0.21 -1.37 0.16 0.00 0.10 0.00 0.00 66.02 64.71 3ifs s SER 105 CO 0.58 -1.97 1.87 0.11 0.98 0.00 0.00 173.24 174.80 3ifs h LYS 106 N -1.10 1.03 -0.76 4.02 1.57 -1.95 0.12 116.57 119.50 3ifs h LYS 106 Ca -0.47 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 3ifs h LYS 106 Cb 1.32 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.37 3ifs h LYS 106 CO 0.65 0.71 0.49 0.93 -0.57 0.00 0.00 179.45 181.66 3ifs h GLU 107 N 1.05 1.02 0.03 3.15 5.08 -1.95 -0.08 114.58 122.88 3ifs h GLU 107 Ca 0.28 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 3ifs h GLU 107 Cb -0.08 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 28.96 3ifs h GLU 107 CO -0.06 0.69 -0.29 1.96 -1.00 0.00 0.00 179.01 180.32 3ifs h GLN 108 N 1.04 0.15 -0.26 2.33 4.20 -1.83 -3.38 115.11 117.36 3ifs h GLN 108 Ca 0.28 -0.19 -0.15 0.00 0.06 0.00 0.00 58.65 58.64 3ifs h GLN 108 Cb -0.09 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 3ifs h GLN 108 CO -0.06 1.00 -0.43 -0.09 -0.67 0.00 0.00 178.83 178.58 3ifs h ARG 109 N -0.62 0.75 0.00 1.46 2.43 -0.91 -3.48 114.38 114.01 3ifs h ARG 109 Ca -0.04 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3ifs h ARG 109 Cb 1.13 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3ifs h ARG 109 CO 0.05 1.09 0.00 1.63 -1.51 0.00 0.00 179.97 181.23 3ifs n LYS 110 N -4.15 0.00 -2.68 0.20 5.02 -0.05 -4.92 118.16 111.58 3ifs n LYS 110 Ca -0.05 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.01 3ifs n LYS 110 Cb 0.56 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.60 3ifs n LYS 110 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ifs s THR 111 N 0.00 3.39 0.68 -0.18 -4.23 -1.26 -5.01 115.64 109.03 3ifs s THR 111 Ca 0.00 -0.40 -0.16 0.00 -1.18 0.00 0.00 61.69 59.95 3ifs s THR 111 Cb 0.00 -3.30 0.01 0.00 1.34 0.00 0.00 72.50 70.56 3ifs s THR 111 CO 0.00 -0.24 1.17 -2.84 -0.54 0.00 0.00 174.62 172.17 3ifs s PRO 112 N -4.78 2.49 0.54 3.99 0.02 -1.26 -4.98 135.00 131.01 3ifs s PRO 112 Ca 0.53 1.65 -0.20 0.00 0.02 0.00 0.00 61.00 63.00 3ifs s PRO 112 Cb -0.10 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 3ifs s PRO 112 CO 0.40 -1.54 1.18 -0.65 -0.33 0.00 0.00 177.00 176.06 3ifs s GLN 113 N -3.87 3.32 -0.24 5.54 -0.21 0.09 -4.82 119.66 119.47 3ifs s GLN 113 Ca 0.72 1.78 0.02 0.00 0.02 0.00 0.00 55.36 57.90 3ifs s GLN 113 Cb -0.26 -2.11 0.05 0.00 1.00 0.00 0.00 33.01 31.69 3ifs s GLN 113 CO 0.42 -0.92 -0.12 0.08 -2.12 0.00 0.00 175.29 172.63 3ifs s VAL 114 N -1.61 2.05 0.14 1.09 1.01 -1.26 -0.61 120.40 121.21 3ifs s VAL 114 Ca 0.72 -1.42 0.07 0.00 0.00 0.00 0.00 61.98 61.35 3ifs s VAL 114 Cb -0.29 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 3ifs s VAL 114 CO 0.33 0.09 -0.06 -0.76 0.00 0.00 0.00 175.10 174.70 3ifs s LEU 115 N 1.18 3.17 -0.03 3.92 1.43 -0.30 -4.99 118.68 123.06 3ifs s LEU 115 Ca -0.06 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.72 3ifs s LEU 115 Cb -0.18 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 3ifs s LEU 115 CO -0.07 0.14 -0.24 -0.36 0.23 0.00 0.00 176.35 176.05 3ifs s PHE 116 N -1.48 2.41 0.12 0.29 0.40 -1.26 -0.54 117.98 117.92 3ifs s PHE 116 Ca 0.24 -0.43 -0.08 0.00 -0.60 0.00 0.00 56.93 56.06 3ifs s PHE 116 Cb -0.10 -1.54 -0.01 0.00 0.51 0.00 0.00 43.02 41.88 3ifs s PHE 116 CO 0.16 -0.03 0.21 0.54 0.70 0.00 0.00 175.22 176.80 3ifs s VAL 117 N -0.56 0.11 0.00 -0.44 0.11 -0.32 -4.88 120.40 114.42 3ifs s VAL 117 Ca 0.08 -1.35 0.00 0.00 -2.93 0.00 0.00 61.98 57.78 3ifs s VAL 117 Cb -0.11 -1.61 0.00 0.00 -1.53 0.00 0.00 36.38 33.13 3ifs s VAL 117 CO -0.00 -0.51 0.00 0.61 -3.33 0.00 0.00 175.10 171.87 3ifs n GLY 118 N -0.12 0.67 0.78 6.54 0.00 -1.26 -2.35 105.19 109.45 3ifs n GLY 118 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.62 1.94 -4.12 1.61 0.00 -1.19 -2.65 117.38 110.34 3ifs n GLN 119 Ca 0.00 -1.56 -0.15 0.00 0.00 0.00 0.00 57.00 55.29 3ifs n GLN 119 Cb 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 30.24 28.72 3ifs n GLN 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3ifs s ASN 120 N -2.14 0.96 -0.34 2.61 2.20 -1.26 -4.94 114.94 112.03 3ifs s ASN 120 Ca 0.26 -1.50 0.08 0.00 -0.94 0.00 0.00 52.86 50.76 3ifs s ASN 120 Cb 0.20 0.63 0.45 0.00 -2.00 0.00 0.00 41.25 40.53 3ifs s ASN 120 CO 0.38 -1.23 1.14 -0.38 -2.94 0.00 0.00 177.10 174.07 3ifs n ILE 121 N -0.55 2.29 -3.42 0.54 5.41 -1.26 -4.87 119.36 117.50 3ifs n ILE 121 Ca 0.02 -4.31 -0.42 0.00 1.00 0.00 0.00 62.75 59.05 3ifs n ILE 121 Cb 0.62 -0.90 -0.10 0.00 -0.71 0.00 0.00 39.64 38.56 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 -3.57 6.14 0.31 4.38 0.15 -1.26 -4.95 113.70 114.91 3ifs s SER 122 Ca 0.47 -0.49 0.09 0.00 0.70 0.00 0.00 55.95 56.71 3ifs s SER 122 Cb 0.40 -2.18 0.51 0.00 -1.71 0.00 0.00 66.02 63.04 3ifs s SER 122 CO -0.05 -0.39 1.72 0.77 1.20 0.00 0.00 173.24 176.49 3ifs h SER 123 N 8.56 0.14 -0.36 5.45 4.64 -2.05 -2.74 113.55 127.19 3ifs h SER 123 Ca -0.29 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 60.95 3ifs h SER 123 Cb 1.14 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3ifs h SER 123 CO 0.71 0.56 0.14 0.74 -0.87 0.00 0.00 176.83 178.11 3ifs h THR 124 N 0.11 1.19 0.00 2.95 2.02 -2.04 -0.67 112.91 116.47 3ifs h THR 124 Ca 0.01 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.59 3ifs h THR 124 Cb 0.82 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 3ifs h THR 124 CO 0.06 0.21 0.00 0.00 0.37 0.00 0.00 175.52 176.16 3ifs n TYR 125 N -4.68 0.00 0.00 3.16 4.19 -1.03 -1.40 117.16 117.40 3ifs n TYR 125 Ca -0.01 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.20 3ifs n TYR 125 Cb 0.14 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.97 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 0.28 0.00 -0.17 2.98 3.00 -0.26 -0.62 118.16 123.37 3ifs n LYS 127 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 3ifs n LYS 127 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 35.03 35.18 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 0.86 0.00 3.14 3.32 -1.46 -3.21 116.42 119.07 3ifs h ASP 128 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3ifs h ASP 128 Cb 0.00 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.33 3ifs h ASP 128 CO 0.00 0.84 0.00 -0.11 -1.72 0.00 0.00 179.24 178.25 3ifs n LEU 129 N -4.26 0.99 0.00 1.55 7.94 0.21 -3.47 117.00 119.96 3ifs n LEU 129 Ca 0.04 -0.45 0.00 0.00 -1.11 0.00 0.00 56.01 54.50 3ifs n LEU 129 Cb 0.24 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 43.98 3ifs n LEU 129 CO 0.41 0.19 0.00 0.47 -1.11 0.00 0.00 177.39 177.34 3ifs n ASP 131 N 1.79 0.00 0.09 1.96 8.00 -1.21 -2.24 116.55 124.93 3ifs n ASP 131 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 3ifs n ASP 131 Cb 0.10 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.29 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 1.41 0.00 2.53 2.07 -1.90 -3.10 116.25 117.26 3ifs h VAL 132 Ca 0.00 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.39 3ifs h VAL 132 Cb 0.00 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3ifs h VAL 132 CO 0.00 0.63 0.00 -0.07 0.02 0.00 0.00 177.57 178.15 3ifs h LEU 133 N 0.15 0.00 -9.54 2.57 3.38 -1.79 -3.46 115.31 106.63 3ifs h LEU 133 Ca -0.01 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.41 3ifs h LEU 133 Cb 1.19 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.99 3ifs h LEU 133 CO 0.10 0.00 0.98 1.21 0.09 0.00 0.00 178.44 180.83 3ifs n GLU 134 N -3.07 2.55 -1.04 1.13 0.00 -1.17 -2.07 120.64 116.96 3ifs n GLU 134 Ca 0.02 0.92 -0.01 0.00 0.00 0.00 0.00 57.16 58.09 3ifs n GLU 134 Cb 0.38 -2.76 -0.01 0.00 0.00 0.00 0.00 31.44 29.05 3ifs n GLU 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ifs n GLY 135 N 3.91 0.47 3.30 8.31 0.00 -1.26 -5.02 105.19 114.91 3ifs n GLY 135 Ca 0.17 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.02 1.53 0.20 1.61 -0.14 -0.88 -5.12 119.74 115.92 3ifs s LYS 136 Ca 0.00 -1.07 -0.30 0.00 -1.36 0.00 0.00 55.97 53.25 3ifs s LYS 136 Cb 0.00 -1.72 -0.08 0.00 -1.68 0.00 0.00 37.83 34.35 3ifs s LYS 136 CO 0.00 0.43 1.02 -0.51 -0.76 0.00 0.00 175.35 175.53 3ifs s ASP 137 N -1.35 7.44 0.14 2.83 1.01 -1.26 -4.94 116.67 120.54 3ifs s ASP 137 Ca 0.10 2.02 -0.06 0.00 0.71 0.00 0.00 52.55 55.32 3ifs s ASP 137 Cb -0.09 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.21 3ifs s ASP 137 CO 0.03 -0.05 0.18 0.72 0.21 0.00 0.00 175.17 176.25 3ifs s PHE 138 N -0.67 0.57 0.19 4.23 -0.71 -1.26 -0.33 117.98 119.99 3ifs s PHE 138 Ca 0.45 -0.94 0.03 0.00 -1.04 0.00 0.00 56.93 55.43 3ifs s PHE 138 Cb -0.28 -0.23 -0.05 0.00 -1.21 0.00 0.00 43.02 41.25 3ifs s PHE 138 CO 0.34 -0.62 -0.03 -1.12 -1.34 0.00 0.00 175.22 172.46 3ifs s SER 139 N -2.99 1.59 -0.08 1.98 0.01 -0.77 -4.96 113.70 108.48 3ifs s SER 139 Ca 0.19 -1.15 0.04 0.00 1.31 0.00 0.00 55.95 56.34 3ifs s SER 139 Cb 0.05 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.33 3ifs s SER 139 CO -0.00 -0.49 -0.20 -0.63 0.41 0.00 0.00 173.24 172.33 3ifs s ILE 140 N -3.48 1.69 -0.36 1.44 1.01 0.16 -0.94 121.20 120.72 3ifs s ILE 140 Ca 0.24 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 60.04 3ifs s ILE 140 Cb 0.05 -1.48 0.08 0.00 0.01 0.00 0.00 42.46 41.12 3ifs s ILE 140 CO 0.05 0.48 0.11 0.21 0.00 0.00 0.00 174.94 175.79 3ifs s ASN 141 N 0.35 5.10 -0.19 3.58 3.04 -0.17 -0.49 114.94 126.17 3ifs s ASN 141 Ca -0.14 -1.66 -0.15 0.00 0.04 0.00 0.00 52.86 50.95 3ifs s ASN 141 Cb -0.16 -1.78 -0.04 0.00 -1.54 0.00 0.00 41.25 37.73 3ifs s ASN 141 CO 0.06 -0.41 0.34 0.54 -3.04 0.00 0.00 177.10 174.59 3ifs s VAL 142 N 1.20 5.25 -0.19 -5.21 0.11 0.14 -1.15 120.40 120.54 3ifs s VAL 142 Ca 0.02 0.61 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 3ifs s VAL 142 Cb -0.21 -3.68 0.05 0.00 -1.53 0.00 0.00 36.38 31.01 3ifs s VAL 142 CO -0.03 0.31 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.35 3ifs s ILE 143 N 0.98 1.45 -0.29 7.04 1.01 0.06 -0.82 121.20 130.63 3ifs s ILE 143 Ca 0.17 -0.92 -0.16 0.00 0.00 0.00 0.00 60.65 59.74 3ifs s ILE 143 Cb -0.14 -1.59 0.15 0.00 0.01 0.00 0.00 42.46 40.88 3ifs s ILE 143 CO 0.06 0.11 0.97 -0.55 0.00 0.00 0.00 174.94 175.53 3ifs s SER 144 N 1.47 -0.54 0.12 3.58 0.15 -0.76 -4.42 113.70 113.30 3ifs s SER 144 Ca -0.01 0.83 -0.15 0.00 0.70 0.00 0.00 55.95 57.31 3ifs s SER 144 Cb -0.16 1.33 -0.02 0.00 -1.71 0.00 0.00 66.02 65.46 3ifs s SER 144 CO -0.08 -0.13 1.58 0.50 1.20 0.00 0.00 173.24 176.32 3ifs h LYS 145 N 6.43 0.68 0.00 5.44 3.64 -1.92 -3.32 116.57 127.52 3ifs h LYS 145 Ca -0.25 -0.20 -0.32 0.00 -1.27 0.00 0.00 60.65 58.61 3ifs h LYS 145 Cb 1.17 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 3ifs h LYS 145 CO 0.17 0.75 -1.92 -1.13 -2.27 0.00 0.00 179.45 175.05 3ifs n SER 146 N -4.49 0.61 -0.00 4.20 3.41 -1.26 -2.73 113.62 113.36 3ifs n SER 146 Ca -0.01 0.29 -0.00 0.00 -0.26 0.00 0.00 58.87 58.89 3ifs n SER 146 Cb 0.26 0.26 -0.00 0.00 -0.26 0.00 0.00 64.21 64.47 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 1.62 0.48 0.00 5.00 0.00 -1.25 -1.22 105.19 109.82 3ifs n GLY 147 Ca -0.22 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.95 0.00 -1.66 2.61 -2.24 -1.26 -4.52 114.28 104.25 3ifs n THR 148 Ca -0.00 -0.39 -0.49 0.00 -2.27 0.00 0.00 64.05 60.90 3ifs n THR 148 Cb 0.02 1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.60 0.18 -0.08 4.28 -1.04 -1.26 -4.84 114.28 110.92 3ifs n THR 149 Ca 0.00 -0.03 -0.09 0.00 -2.04 0.00 0.00 64.05 61.89 3ifs n THR 149 Cb 0.01 -1.44 -0.03 0.00 -1.82 0.00 0.00 70.33 67.06 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 4.20 0.22 0.06 12.58 2.02 -1.99 -1.91 112.91 128.09 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 1.28 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3ifs h THR 150 CO 0.89 0.00 -0.03 -0.33 0.37 0.00 0.00 175.52 176.42 3ifs h GLU 151 N -0.31 -0.08 0.00 6.66 3.07 -1.88 -0.87 114.58 121.17 3ifs h GLU 151 Ca 0.14 0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.87 3ifs h GLU 151 Cb 0.55 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 3ifs h GLU 151 CO -0.49 0.06 -0.65 -1.00 -1.40 0.00 0.00 179.01 175.53 3ifs h PRO 152 N -0.20 0.00 -0.67 2.33 0.13 -1.52 -1.80 132.00 130.26 3ifs h PRO 152 Ca -0.01 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.07 3ifs h PRO 152 Cb 0.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.28 3ifs h PRO 152 CO 0.01 0.65 0.21 0.00 -0.23 0.00 0.00 178.00 178.64 3ifs h ALA 153 N 1.35 0.88 -0.26 -0.56 0.00 -1.18 0.60 119.26 120.10 3ifs h ALA 153 Ca -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3ifs h ALA 153 Cb 1.16 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3ifs h ALA 153 CO 0.08 0.56 -0.24 1.25 0.00 0.00 0.00 179.25 180.90 3ifs h LEU 154 N 0.98 0.65 -0.72 0.00 5.85 -1.09 -2.01 115.31 118.98 3ifs h LEU 154 Ca 0.22 -0.47 -0.09 0.00 0.84 0.00 0.00 57.88 58.38 3ifs h LEU 154 Cb 0.30 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3ifs h LEU 154 CO -0.01 0.98 0.03 0.00 -0.34 0.00 0.00 178.44 179.11 3ifs h ALA 155 N 0.69 0.93 -0.64 1.25 0.00 -1.22 -2.56 119.26 117.69 3ifs h ALA 155 Ca 0.04 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3ifs h ALA 155 Cb 0.79 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3ifs h ALA 155 CO 0.06 0.65 0.10 0.35 0.00 0.00 0.00 179.25 180.41 3ifs h PHE 156 N 0.94 1.14 -0.42 0.00 3.57 -0.80 0.05 116.94 121.42 3ifs h PHE 156 Ca 0.18 -0.16 0.05 0.00 3.53 0.00 0.00 57.97 61.56 3ifs h PHE 156 Cb 0.50 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 3ifs h PHE 156 CO 0.03 0.97 0.16 -0.09 -2.23 0.00 0.00 178.31 177.15 3ifs h ARG 157 N 0.99 0.33 0.15 1.11 2.43 -1.21 0.12 114.38 118.29 3ifs h ARG 157 Ca 0.19 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3ifs h ARG 157 Cb 0.45 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3ifs h ARG 157 CO 0.01 0.22 -0.07 0.82 -1.51 0.00 0.00 179.97 179.44 3ifs h ILE 158 N 0.34 0.99 0.00 1.20 2.04 -1.05 -2.97 117.51 118.06 3ifs h ILE 158 Ca 0.19 -0.65 -0.10 0.00 1.00 0.00 0.00 64.86 65.30 3ifs h ILE 158 Cb 0.16 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3ifs h ILE 158 CO -0.18 0.15 -0.49 -0.26 0.00 0.00 0.00 178.15 177.37 3ifs h PHE 159 N -0.51 0.00 -0.58 1.37 0.04 -0.91 -2.80 116.94 113.55 3ifs h PHE 159 Ca -0.02 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.67 3ifs h PHE 159 Cb 0.40 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 3ifs h PHE 159 CO 0.03 0.49 0.03 -0.09 -0.60 0.00 0.00 178.31 178.17 3ifs h ARG 160 N 0.00 0.98 -0.33 1.51 2.43 -0.84 -1.02 114.38 117.11 3ifs h ARG 160 Ca -0.00 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 58.80 3ifs h ARG 160 Cb 1.26 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 3ifs h ARG 160 CO 0.06 0.95 -0.14 -0.22 -1.51 0.00 0.00 179.97 179.11 3ifs h LYS 161 N 0.91 0.58 -0.23 0.20 3.64 -1.35 0.34 116.57 120.66 3ifs h LYS 161 Ca 0.17 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3ifs h LYS 161 Cb 0.49 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3ifs h LYS 161 CO 0.02 0.71 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.83 3ifs h LEU 162 N 0.53 0.42 -0.38 5.20 3.38 -1.20 -1.42 115.31 121.84 3ifs h LEU 162 Ca 0.09 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.76 3ifs h LEU 162 Cb 0.56 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3ifs h LEU 162 CO 0.04 0.64 0.22 0.25 0.09 0.00 0.00 178.44 179.68 3ifs h LEU 163 N 0.19 0.36 -0.93 1.67 5.85 -0.93 -0.54 115.31 120.98 3ifs h LEU 163 Ca 0.07 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 3ifs h LEU 163 Cb 0.43 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3ifs h LEU 163 CO 0.01 0.26 0.16 -0.33 -0.34 0.00 0.00 178.44 178.20 3ifs h GLU 164 N 0.46 0.94 -0.55 1.25 5.08 -0.83 -0.87 114.58 120.06 3ifs h GLU 164 Ca 0.15 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 3ifs h GLU 164 Cb 0.00 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3ifs h GLU 164 CO -0.07 0.83 -0.11 0.93 -1.00 0.00 0.00 179.01 179.59 3ifs h GLU 165 N 0.90 1.04 -0.37 2.33 5.08 -1.03 0.32 114.58 122.85 3ifs h GLU 165 Ca 0.20 -0.39 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 3ifs h GLU 165 Cb 0.31 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3ifs h GLU 165 CO -0.00 1.08 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.81 3ifs h LYS 166 N 0.92 0.69 0.00 2.33 3.64 -0.61 -3.37 116.57 120.18 3ifs h LYS 166 Ca 0.14 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3ifs h LYS 166 Cb 0.69 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3ifs h LYS 166 CO 0.05 0.83 -0.58 0.66 -2.27 0.00 0.00 179.45 178.15 3ifs n TYR 167 N -4.41 0.00 0.00 1.91 4.01 -0.37 -5.10 117.16 113.19 3ifs n TYR 167 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3ifs n TYR 167 Cb 0.33 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 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 1.44 0.14 0.35 2.72 0.00 0.11 -4.31 105.19 105.65 3ifs n GLY 168 Ca 0.00 -1.63 -0.03 0.00 0.00 0.00 0.00 46.02 44.37 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 1.17 -0.26 1.61 1.57 -1.93 -0.86 116.57 117.87 3ifs h LYS 169 Ca 0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3ifs h LYS 169 Cb 0.00 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 3ifs h LYS 169 CO 0.00 0.85 0.17 1.49 -0.57 0.00 0.00 179.45 181.39 3ifs h GLU 170 N 1.18 0.34 -0.01 3.15 4.81 -1.95 -1.45 114.58 120.65 3ifs h GLU 170 Ca 0.30 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.30 3ifs h GLU 170 Cb 0.02 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3ifs h GLU 170 CO -0.05 0.23 -0.88 1.49 -0.73 0.00 0.00 179.01 179.08 3ifs h GLU 171 N 0.35 0.28 -0.87 1.92 4.57 -1.73 -3.22 114.58 115.88 3ifs h GLU 171 Ca 0.10 -0.29 0.04 0.00 -1.18 0.00 0.00 59.36 58.02 3ifs h GLU 171 Cb -0.03 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 3ifs h GLU 171 CO -0.02 1.00 0.56 0.00 -1.18 0.00 0.00 179.01 179.36 3ifs h ALA 172 N 0.90 1.15 -0.09 2.92 0.00 -0.90 -2.03 119.26 121.21 3ifs h ALA 172 Ca -0.05 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3ifs h ALA 172 Cb 1.50 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ifs h ALA 172 CO 0.14 0.40 0.06 0.00 0.00 0.00 0.00 179.25 179.85 3ifs h ARG 173 N 1.08 0.02 -0.00 0.00 3.08 -1.28 -0.19 114.38 117.09 3ifs h ARG 173 Ca 0.35 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3ifs h ARG 173 Cb 0.02 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3ifs h ARG 173 CO -0.12 0.01 -0.04 1.63 -1.07 0.00 0.00 179.97 180.39 3ifs n LYS 174 N -4.52 0.96 -0.02 0.04 5.02 -0.77 -3.64 118.16 115.23 3ifs n LYS 174 Ca -0.01 -0.25 0.01 0.00 -2.02 0.00 0.00 58.31 56.04 3ifs n LYS 174 Cb 0.16 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.70 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 -0.81 2.84 -5.03 1.97 1.74 -0.11 -4.98 116.66 112.29 3ifs n ARG 175 Ca 0.19 -1.63 -0.32 0.00 -0.77 0.00 0.00 57.85 55.31 3ifs n ARG 175 Cb 0.22 -1.06 -0.15 0.00 -1.02 0.00 0.00 32.46 30.44 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 -1.17 2.53 -0.19 0.55 1.01 -1.07 -0.66 121.20 122.19 3ifs s ILE 176 Ca 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.83 3ifs s ILE 176 Cb 0.03 -2.00 0.04 0.00 0.01 0.00 0.00 42.46 40.55 3ifs s ILE 176 CO 0.01 0.55 -0.08 -0.31 0.00 0.00 0.00 174.94 175.12 3ifs s TYR 177 N 0.11 2.08 -0.22 3.97 1.51 0.36 -3.69 117.35 121.47 3ifs s TYR 177 Ca -0.09 -1.37 -0.08 0.00 -1.01 0.00 0.00 57.07 54.52 3ifs s TYR 177 Cb -0.15 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 3ifs s TYR 177 CO 0.06 -0.69 0.09 0.00 -1.11 0.00 0.00 175.55 173.90 3ifs s ALA 178 N 1.51 3.37 -0.26 3.71 0.00 -0.67 -0.68 121.76 128.74 3ifs s ALA 178 Ca -0.01 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 3ifs s ALA 178 Cb -0.16 -2.08 0.04 0.00 0.00 0.00 0.00 23.12 20.91 3ifs s ALA 178 CO -0.08 -0.15 -0.06 0.99 0.00 0.00 0.00 175.76 176.46 3ifs s THR 179 N 0.99 2.76 0.00 0.00 2.01 -0.00 -0.61 115.64 120.79 3ifs s THR 179 Ca 0.05 -1.20 0.00 0.00 0.31 0.00 0.00 61.69 60.85 3ifs s THR 179 Cb -0.14 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 69.90 3ifs s THR 179 CO 0.03 0.11 0.00 1.07 -0.69 0.00 0.00 174.62 175.14 3ifs n THR 180 N 4.62 0.00 -1.69 -0.82 5.66 -0.59 -1.83 114.28 119.63 3ifs n THR 180 Ca -0.15 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.47 3ifs n THR 180 Cb 0.45 0.00 0.06 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 -1.05 1.75 0.07 1.09 2.03 -1.11 -1.07 116.55 118.25 3ifs n ASP 181 Ca 0.00 0.85 0.13 0.00 0.52 0.00 0.00 54.79 56.29 3ifs n ASP 181 Cb 0.00 -1.50 0.48 0.00 -0.72 0.00 0.00 41.12 39.37 3ifs n ASP 181 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 3ifs n LYS 182 N -1.46 0.15 0.00 -0.67 2.85 -1.26 -4.45 118.16 113.32 3ifs n LYS 182 Ca 0.14 0.17 0.00 0.00 -1.05 0.00 0.00 58.31 57.57 3ifs n LYS 182 Cb 0.47 -1.69 0.00 0.00 -0.65 0.00 0.00 35.03 33.16 3ifs n LYS 182 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3ifs n ALA 183 N -1.67 1.39 -4.07 0.58 0.00 -1.26 -5.14 120.51 110.34 3ifs n ALA 183 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 3ifs n ALA 183 Cb 0.36 0.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.13 0.67 0.00 0.00 1.85 -1.26 -4.99 116.66 111.80 3ifs n ARG 184 Ca 0.00 -2.89 0.00 0.00 -1.00 0.00 0.00 57.85 53.96 3ifs n ARG 184 Cb 0.20 2.72 0.00 0.00 -1.05 0.00 0.00 32.46 34.33 3ifs n ARG 184 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3ifs n GLY 185 N -0.59 2.09 0.29 2.89 0.00 -1.26 -4.44 105.19 104.17 3ifs n GLY 185 Ca 0.02 -1.95 -0.01 0.00 0.00 0.00 0.00 46.02 44.07 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 1.30 -0.27 4.61 0.00 -1.43 -2.55 119.26 120.93 3ifs h ALA 186 Ca 0.00 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 3ifs h ALA 186 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3ifs h ALA 186 CO 0.00 0.49 -0.58 1.25 0.00 0.00 0.00 179.25 180.42 3ifs h LEU 187 N 0.70 0.97 -0.58 0.00 5.85 -1.80 -1.60 115.31 118.85 3ifs h LEU 187 Ca 0.16 -0.55 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 3ifs h LEU 187 Cb 0.27 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3ifs h LEU 187 CO -0.00 1.34 0.28 0.50 -0.34 0.00 0.00 178.44 180.22 3ifs h LYS 188 N 0.64 0.83 0.09 1.25 1.63 -1.74 0.75 116.57 120.01 3ifs h LYS 188 Ca 0.00 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 3ifs h LYS 188 Cb 1.19 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.67 3ifs h LYS 188 CO 0.13 0.67 -0.04 1.15 -3.45 0.00 0.00 179.45 177.91 3ifs h THR 189 N 0.79 0.94 -0.33 1.00 2.02 -1.38 -0.68 112.91 115.26 3ifs h THR 189 Ca 0.20 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.32 3ifs h THR 189 Cb 0.11 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 3ifs h THR 189 CO -0.03 0.02 0.14 0.25 0.37 0.00 0.00 175.52 176.28 3ifs h LEU 190 N -0.16 0.18 -1.02 2.58 5.85 -1.12 -0.64 115.31 120.99 3ifs h LEU 190 Ca -0.01 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.79 3ifs h LEU 190 Cb 0.13 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 3ifs h LEU 190 CO 0.02 0.14 0.65 0.00 -0.34 0.00 0.00 178.44 178.91 3ifs h ALA 191 N 1.19 1.39 -0.27 1.25 0.00 -0.55 0.86 119.26 123.14 3ifs h ALA 191 Ca 0.15 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3ifs h ALA 191 Cb 0.09 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3ifs h ALA 191 CO -0.13 0.47 -0.22 -0.44 0.00 0.00 0.00 179.25 178.93 3ifs h ASP 192 N 1.20 0.66 -0.56 0.00 3.32 -0.75 0.18 116.42 120.47 3ifs h ASP 192 Ca 0.42 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3ifs h ASP 192 Cb 0.13 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3ifs h ASP 192 CO -0.16 0.98 0.27 0.78 -1.72 0.00 0.00 179.24 179.39 3ifs h ASN 193 N 0.35 0.74 1.09 6.45 2.35 -0.55 -3.23 115.58 122.78 3ifs h ASN 193 Ca 0.05 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3ifs h ASN 193 Cb 0.77 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.96 3ifs h ASN 193 CO 0.06 0.66 -0.82 -0.33 -1.65 0.00 0.00 177.43 175.35 3ifs h GLU 194 N 0.76 0.00 -0.27 0.81 4.39 -0.85 -3.48 114.58 115.94 3ifs h GLU 194 Ca 0.19 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 3ifs h GLU 194 Cb 0.12 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3ifs h GLU 194 CO -0.02 0.00 -0.03 0.41 -1.16 0.00 0.00 179.01 178.21 3ifs n GLY 195 N 1.20 0.40 3.79 -3.84 0.00 0.59 -4.94 105.19 102.38 3ifs n GLY 195 Ca 0.01 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.17 2.80 0.24 1.61 2.02 -0.89 -4.93 117.35 116.04 3ifs s TYR 196 Ca 0.00 1.54 -0.31 0.00 -0.37 0.00 0.00 57.07 57.93 3ifs s TYR 196 Cb -0.00 -3.12 -0.11 0.00 -0.40 0.00 0.00 41.96 38.33 3ifs s TYR 196 CO 0.00 -1.37 1.61 -1.21 -1.57 0.00 0.00 175.55 173.01 3ifs s GLU 197 N -3.87 4.15 0.00 -0.62 0.41 -1.24 -4.87 118.70 112.67 3ifs s GLU 197 Ca 0.67 2.53 0.05 0.00 -0.41 0.00 0.00 54.97 57.81 3ifs s GLU 197 Cb -0.19 -3.07 -0.02 0.00 -1.78 0.00 0.00 34.13 29.08 3ifs s GLU 197 CO 0.35 -0.64 -0.16 0.99 -0.49 0.00 0.00 175.26 175.30 3ifs s THR 198 N 0.53 1.31 0.19 3.63 2.01 -1.26 -1.66 115.64 120.38 3ifs s THR 198 Ca 0.67 -0.82 0.08 0.00 0.31 0.00 0.00 61.69 61.93 3ifs s THR 198 Cb -0.47 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 3ifs s THR 198 CO 0.40 0.28 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.09 3ifs s PHE 199 N -0.52 1.73 -0.14 4.92 0.08 0.22 -4.99 117.98 119.28 3ifs s PHE 199 Ca 0.06 -0.53 -0.04 0.00 0.12 0.00 0.00 56.93 56.53 3ifs s PHE 199 Cb -0.07 -0.83 -0.03 0.00 -0.57 0.00 0.00 43.02 41.52 3ifs s PHE 199 CO 0.00 0.34 0.01 0.08 -0.10 0.00 0.00 175.22 175.56 3ifs s VAL 200 N -2.62 4.36 -0.40 -0.44 1.01 -1.26 -1.54 120.40 119.50 3ifs s VAL 200 Ca 0.20 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 3ifs s VAL 200 Cb -0.03 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.46 3ifs s VAL 200 CO 0.07 0.52 0.43 -0.63 0.00 0.00 0.00 175.10 175.49 3ifs s ILE 201 N -0.04 5.09 0.47 2.22 1.01 -0.23 -4.48 121.20 125.23 3ifs s ILE 201 Ca 0.04 -0.25 -0.24 0.00 0.00 0.00 0.00 60.65 60.20 3ifs s ILE 201 Cb -0.13 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.27 3ifs s ILE 201 CO 0.02 -0.36 1.39 -2.84 0.00 0.00 0.00 174.94 173.15 3ifs s PRO 202 N 2.14 3.60 0.55 2.79 0.02 -1.26 -4.49 135.00 138.34 3ifs s PRO 202 Ca 0.12 2.32 0.21 0.00 0.02 0.00 0.00 61.00 63.68 3ifs s PRO 202 Cb -0.17 -2.57 1.49 0.00 0.02 0.00 0.00 34.50 33.27 3ifs s PRO 202 CO 0.13 -0.85 2.19 -0.44 -0.33 0.00 0.00 177.00 177.70 3ifs h ASP 203 N 2.16 0.00 -0.53 2.53 3.32 -1.96 -2.48 116.42 119.45 3ifs h ASP 203 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3ifs h ASP 203 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3ifs h ASP 203 CO 0.60 0.01 0.00 -0.90 -1.72 0.00 0.00 179.24 177.23 3ifs n ASP 204 N -4.25 3.03 -4.05 6.45 5.68 -1.26 -4.74 116.55 117.40 3ifs n ASP 204 Ca -0.03 -2.06 -0.32 0.00 -0.50 0.00 0.00 54.79 51.88 3ifs n ASP 204 Cb 0.09 -0.39 -0.15 0.00 -1.14 0.00 0.00 41.12 39.53 3ifs n ASP 204 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3ifs s VAL 205 N -1.38 2.07 0.72 2.12 1.01 -0.94 -0.88 120.40 123.13 3ifs s VAL 205 Ca 0.36 -1.57 -0.13 0.00 0.00 0.00 0.00 61.98 60.64 3ifs s VAL 205 Cb 0.20 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.40 3ifs s VAL 205 CO 0.23 -0.04 1.11 -0.83 0.00 0.00 0.00 175.10 175.58 3ifs s GLY 206 N 1.15 1.97 0.18 4.51 0.00 -1.26 -4.74 107.32 109.13 3ifs s GLY 206 Ca -0.08 0.47 -0.21 0.00 0.00 0.00 0.00 44.72 44.90 3ifs s GLY 206 CO -0.05 0.83 1.59 -1.33 0.00 0.00 0.00 173.10 174.14 3ifs h GLY 207 N -0.52 -0.10 2.00 0.20 0.00 -1.97 -0.63 103.07 102.05 3ifs h GLY 207 Ca -0.45 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3ifs h GLY 207 CO 0.52 -0.21 0.00 0.07 0.00 0.00 0.00 176.54 176.92 3ifs h ARG 208 N -0.18 0.00 -0.50 4.80 0.11 -1.93 -1.22 114.38 115.47 3ifs h ARG 208 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 3ifs h ARG 208 Cb 0.54 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.62 3ifs h ARG 208 CO -0.63 0.00 0.00 1.19 0.10 0.00 0.00 179.97 180.63 3ifs n PHE 209 N -2.90 1.10 0.79 4.08 3.01 -0.29 -4.69 117.46 118.56 3ifs n PHE 209 Ca -0.01 -0.63 0.12 0.00 1.01 0.00 0.00 57.45 57.93 3ifs n PHE 209 Cb 0.14 -0.19 0.27 0.00 -0.01 0.00 0.00 39.48 39.69 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 0.67 2.69 -0.07 4.37 3.41 -0.46 -4.52 113.62 119.70 3ifs n SER 210 Ca 0.21 -1.87 0.10 0.00 -0.26 0.00 0.00 58.87 57.05 3ifs n SER 210 Cb 0.77 -0.15 0.47 0.00 -0.26 0.00 0.00 64.21 65.03 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 3.64 0.95 -0.27 -3.33 3.04 -1.84 -1.36 116.25 117.09 3ifs h VAL 211 Ca 0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 3ifs h VAL 211 Cb 0.79 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 3ifs h VAL 211 CO 0.00 0.09 0.00 0.18 -1.01 0.00 0.00 177.57 176.83 3ifs n LEU 212 N -4.47 1.47 0.00 3.16 4.77 -1.26 -2.66 117.00 118.00 3ifs n LEU 212 Ca 0.08 -0.73 -0.17 0.00 -0.03 0.00 0.00 56.01 55.16 3ifs n LEU 212 Cb 0.29 -0.18 0.08 0.00 -2.33 0.00 0.00 43.42 41.28 3ifs n LEU 212 CO 0.34 0.36 0.39 0.35 -1.33 0.00 0.00 177.39 177.50 3ifs n THR 213 N 0.29 0.00 0.17 -5.08 -2.24 -0.51 -4.86 114.28 102.05 3ifs n THR 213 Ca 0.10 -1.40 0.18 0.00 -2.27 0.00 0.00 64.05 60.66 3ifs n THR 213 Cb 0.24 -0.82 0.80 0.00 -2.10 0.00 0.00 70.33 68.45 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 -0.67 -0.78 0.11 -1.83 -2.32 132.00 126.51 3ifs h PRO 214 Ca -0.25 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.98 3ifs h PRO 214 Cb 1.00 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.99 3ifs h PRO 214 CO 0.30 0.00 -0.36 0.28 -0.21 0.00 0.00 178.00 178.01 3ifs h VAL 215 N 0.00 0.13 0.15 3.15 2.07 -1.84 -2.49 116.25 117.41 3ifs h VAL 215 Ca 0.12 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.28 3ifs h VAL 215 Cb 0.75 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3ifs h VAL 215 CO -0.00 0.00 -1.89 1.23 0.02 0.00 0.00 177.57 176.93 3ifs h GLY 216 N -0.14 0.36 0.65 2.17 0.00 -1.22 -3.42 103.07 101.48 3ifs h GLY 216 Ca 0.25 -0.92 0.08 0.00 0.00 0.00 0.00 47.33 46.74 3ifs h GLY 216 CO -0.74 0.81 0.58 1.41 0.00 0.00 0.00 176.54 178.60 3ifs h LEU 217 N 0.07 0.89 0.58 3.11 3.38 -1.24 -2.19 115.31 119.90 3ifs h LEU 217 Ca -0.39 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 3ifs h LEU 217 Cb 2.05 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 42.64 3ifs h LEU 217 CO 0.12 0.55 -0.28 0.25 0.09 0.00 0.00 178.44 179.17 3ifs h LEU 218 N 1.02 -0.66 -0.94 1.67 5.85 -1.69 -1.00 115.31 119.55 3ifs h LEU 218 Ca 0.42 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.12 3ifs h LEU 218 Cb 0.26 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 3ifs h LEU 218 CO -0.20 -0.34 0.62 -0.65 -0.34 0.00 0.00 178.44 177.53 3ifs h PRO 219 N -0.97 1.23 -0.49 5.25 0.11 -1.80 -1.08 132.00 134.25 3ifs h PRO 219 Ca -0.08 -0.07 0.05 0.00 0.11 0.00 0.00 66.00 66.00 3ifs h PRO 219 Cb 0.65 -0.28 -0.04 0.00 0.11 0.00 0.00 31.00 31.44 3ifs h PRO 219 CO 0.13 0.81 0.23 0.82 -0.21 0.00 0.00 178.00 179.79 3ifs h ILE 220 N 1.27 0.94 -0.37 4.15 2.04 -1.37 -2.09 117.51 122.08 3ifs h ILE 220 Ca 0.35 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.97 3ifs h ILE 220 Cb -0.13 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 3ifs h ILE 220 CO -0.08 0.08 -0.14 0.00 0.00 0.00 0.00 178.15 178.01 3ifs h ALA 221 N 1.27 1.08 -0.26 1.87 0.00 -0.69 -2.49 119.26 120.04 3ifs h ALA 221 Ca 0.22 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3ifs h ALA 221 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3ifs h ALA 221 CO -0.16 0.57 -0.07 0.28 0.00 0.00 0.00 179.25 179.87 3ifs h VAL 222 N 0.59 1.19 0.00 0.00 2.07 -0.78 -1.81 116.25 117.52 3ifs h VAL 222 Ca 0.10 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3ifs h VAL 222 Cb 0.58 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3ifs h VAL 222 CO 0.04 0.27 0.00 -1.54 0.02 0.00 0.00 177.57 176.35 3ifs n SER 223 N -4.27 0.00 0.00 0.57 3.41 -0.82 -4.36 113.62 108.15 3ifs n SER 223 Ca 0.01 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 3ifs n SER 223 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 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 0.38 0.74 3.85 5.00 0.00 -0.68 -4.92 105.19 109.56 3ifs n GLY 224 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 3.89 -0.62 0.99 1.43 -1.13 -5.01 118.68 118.23 3ifs s LEU 225 Ca 0.00 1.38 -0.22 0.00 -1.03 0.00 0.00 54.13 54.26 3ifs s LEU 225 Cb 0.00 -4.24 0.07 0.00 0.03 0.00 0.00 46.19 42.05 3ifs s LEU 225 CO 0.00 -0.36 0.89 0.21 0.23 0.00 0.00 176.35 177.32 3ifs s ASN 226 N -2.65 6.20 0.50 2.29 3.84 -1.26 -4.35 114.94 119.51 3ifs s ASN 226 Ca 0.56 -0.98 0.29 0.00 0.21 0.00 0.00 52.86 52.94 3ifs s ASN 226 Cb -0.10 -2.39 1.16 0.00 -0.55 0.00 0.00 41.25 39.37 3ifs s ASN 226 CO 0.23 -1.32 1.92 0.16 -2.79 0.00 0.00 177.10 175.30 3ifs h ILE 227 N 5.96 0.27 -0.40 -5.21 3.07 -1.94 -3.01 117.51 116.25 3ifs h ILE 227 Ca -0.28 -0.79 -0.09 0.00 1.55 0.00 0.00 64.86 65.25 3ifs h ILE 227 Cb 1.08 1.62 -0.01 0.00 -0.27 0.00 0.00 36.82 39.23 3ifs h ILE 227 CO 1.14 0.10 -0.10 -0.08 -1.05 0.00 0.00 178.15 178.16 3ifs h GLU 228 N 0.00 0.77 -5.24 0.16 4.81 -2.01 -3.43 114.58 109.65 3ifs h GLU 228 Ca -0.00 -0.30 -0.20 0.00 -0.13 0.00 0.00 59.36 58.73 3ifs h GLU 228 Cb 0.61 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3ifs h GLU 228 CO 0.01 0.91 0.64 0.39 -0.73 0.00 0.00 179.01 180.24 3ifs n GLU 229 N -4.33 0.87 0.00 1.92 -0.58 -1.14 -4.66 120.64 112.71 3ifs n GLU 229 Ca -0.01 -2.06 0.00 0.00 -0.42 0.00 0.00 57.16 54.67 3ifs n GLU 229 Cb 0.36 -3.77 0.00 0.00 -0.57 0.00 0.00 31.44 27.46 3ifs n GLU 229 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ifs n LYS 232 N 8.16 0.00 -0.07 3.49 5.02 -1.26 -3.77 118.16 129.74 3ifs n LYS 232 Ca 0.43 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.62 3ifs n LYS 232 Cb 0.46 -0.07 -0.04 0.00 -0.02 0.00 0.00 35.03 35.37 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 0.36 1.28 0.72 0.00 -1.83 -1.04 103.07 102.56 3ifs h GLY 233 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 3ifs h GLY 233 CO 0.00 0.20 0.29 0.00 0.00 0.00 0.00 176.54 177.02 3ifs h ALA 234 N 0.90 1.30 -0.59 3.60 0.00 -1.76 -1.91 119.26 120.79 3ifs h ALA 234 Ca 0.07 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3ifs h ALA 234 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3ifs h ALA 234 CO -0.00 0.54 0.01 0.00 0.00 0.00 0.00 179.25 179.79 3ifs h ALA 235 N 1.40 0.90 -0.65 0.00 0.00 -1.74 0.57 119.26 119.74 3ifs h ALA 235 Ca 0.22 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3ifs h ALA 235 Cb 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3ifs h ALA 235 CO -0.03 0.65 0.30 0.00 0.00 0.00 0.00 179.25 180.17 3ifs h ALA 236 N 1.06 0.84 -0.17 0.00 0.00 -0.91 -1.66 119.26 118.42 3ifs h ALA 236 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ifs h ALA 236 Cb 0.53 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ifs h ALA 236 CO 0.03 0.43 0.11 0.78 0.00 0.00 0.00 179.25 180.59 3ifs h GLY 237 N 0.91 0.23 0.26 0.00 0.00 -0.90 0.29 103.07 103.86 3ifs h GLY 237 Ca 0.22 -0.08 0.13 0.00 0.00 0.00 0.00 47.33 47.60 3ifs h GLY 237 CO -0.02 0.08 0.39 -0.09 0.00 0.00 0.00 176.54 176.90 3ifs h ARG 238 N 0.22 0.57 0.27 4.80 2.43 -0.61 0.17 114.38 122.23 3ifs h ARG 238 Ca 0.06 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3ifs h ARG 238 Cb -0.02 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3ifs h ARG 238 CO -0.02 0.38 -0.13 -0.44 -1.51 0.00 0.00 179.97 178.25 3ifs h ASP 239 N 0.58 -0.31 -0.55 -3.80 3.32 -0.90 -2.57 116.42 112.19 3ifs h ASP 239 Ca 0.43 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 57.29 3ifs h ASP 239 Cb 0.59 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 3ifs h ASP 239 CO -0.35 0.08 0.37 0.44 -1.72 0.00 0.00 179.24 178.05 3ifs h ASP 240 N -0.75 0.61 -0.59 6.45 3.32 -0.52 -1.99 116.42 122.94 3ifs h ASP 240 Ca -0.04 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3ifs h ASP 240 Cb 0.50 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3ifs h ASP 240 CO 0.06 0.43 0.00 0.49 -1.72 0.00 0.00 179.24 178.50 3ifs n PHE 241 N -4.46 1.92 1.34 4.55 3.72 0.56 -4.09 117.46 121.00 3ifs n PHE 241 Ca 0.06 -0.70 0.13 0.00 -0.05 0.00 0.00 57.45 56.88 3ifs n PHE 241 Cb 0.08 -0.44 0.44 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.74 0.20 3.79 1.37 0.00 -0.75 -4.91 105.19 105.63 3ifs n GLY 242 Ca 0.27 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.91 4.49 -1.34 2.61 -1.32 -1.26 -4.96 115.64 111.95 3ifs s THR 243 Ca 0.36 1.50 0.29 0.00 -1.21 0.00 0.00 61.69 62.63 3ifs s THR 243 Cb 0.20 -4.02 0.39 0.00 -1.51 0.00 0.00 72.50 67.56 3ifs s THR 243 CO 0.31 0.43 1.91 -1.54 -2.21 0.00 0.00 174.62 173.53 3ifs n SER 244 N 1.35 0.17 -4.57 8.08 3.41 -1.26 -4.78 113.62 116.02 3ifs n SER 244 Ca -0.05 -0.10 -0.43 0.00 -0.26 0.00 0.00 58.87 58.03 3ifs n SER 244 Cb 0.50 -0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 64.16 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 -2.70 3.62 0.23 4.33 2.56 -1.26 -4.09 118.70 121.39 3ifs s GLU 245 Ca 0.23 0.17 -0.08 0.00 0.00 0.00 0.00 54.97 55.29 3ifs s GLU 245 Cb 0.20 -3.86 0.37 0.00 2.00 0.00 0.00 34.13 32.83 3ifs s GLU 245 CO 0.50 -0.98 1.66 1.25 -0.56 0.00 0.00 175.26 177.13 3ifs h LEU 246 N 9.98 -0.24 -0.83 2.70 5.85 -1.87 -0.64 115.31 130.27 3ifs h LEU 246 Ca -0.25 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3ifs h LEU 246 Cb 1.09 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.40 3ifs h LEU 246 CO 0.94 -0.12 0.00 -1.84 -0.34 0.00 0.00 178.44 177.08 3ifs n GLU 247 N -5.28 0.14 0.00 1.25 0.28 -1.26 -1.80 120.64 113.98 3ifs n GLU 247 Ca 0.11 0.49 0.07 0.00 -0.16 0.00 0.00 57.16 57.67 3ifs n GLU 247 Cb 0.41 -1.84 0.05 0.00 1.43 0.00 0.00 31.44 31.50 3ifs n GLU 247 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3ifs n GLU 248 N -2.12 1.10 -3.98 3.44 1.02 -0.29 -4.89 120.64 114.91 3ifs n GLU 248 Ca 0.01 -1.29 -0.31 0.00 -0.02 0.00 0.00 57.16 55.55 3ifs n GLU 248 Cb 0.14 -1.27 -0.15 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.25 4.61 0.40 1.62 3.84 -0.74 -4.95 114.94 118.46 3ifs s ASN 249 Ca 0.16 -2.34 0.12 0.00 0.21 0.00 0.00 52.86 51.02 3ifs s ASN 249 Cb 0.12 -1.58 0.94 0.00 -0.55 0.00 0.00 41.25 40.18 3ifs s ASN 249 CO 0.20 -0.35 1.94 -0.65 -2.79 0.00 0.00 177.10 175.45 3ifs h PRO 250 N 7.36 0.51 -0.49 0.43 0.11 -1.90 -1.25 132.00 136.77 3ifs h PRO 250 Ca -0.05 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.96 3ifs h PRO 250 Cb 0.99 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 3ifs h PRO 250 CO 0.56 0.34 0.05 0.00 -0.21 0.00 0.00 178.00 178.74 3ifs h ALA 251 N 1.64 0.66 -0.03 -0.75 0.00 -1.94 -1.77 119.26 117.08 3ifs h ALA 251 Ca 0.34 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3ifs h ALA 251 Cb 0.61 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ifs h ALA 251 CO -0.12 0.42 -0.54 1.88 0.00 0.00 0.00 179.25 180.89 3ifs h TYR 252 N 0.71 0.09 -0.60 0.00 0.05 -1.68 -2.47 116.97 113.07 3ifs h TYR 252 Ca 0.15 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.84 3ifs h TYR 252 Cb 0.44 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.13 3ifs h TYR 252 CO 0.03 0.60 0.17 1.96 -1.05 0.00 0.00 178.16 179.88 3ifs h GLN 253 N 0.06 0.94 -0.45 4.88 4.20 -1.02 -0.32 115.11 123.40 3ifs h GLN 253 Ca -0.00 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 3ifs h GLN 253 Cb 0.98 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 3ifs h GLN 253 CO 0.07 0.85 0.20 -0.92 -0.67 0.00 0.00 178.83 178.36 3ifs h TYR 254 N 0.86 0.68 -0.25 2.96 3.20 -1.18 -0.52 116.97 122.73 3ifs h TYR 254 Ca 0.19 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3ifs h TYR 254 Cb 0.31 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3ifs h TYR 254 CO 0.02 0.57 0.16 0.00 -1.64 0.00 0.00 178.16 177.27 3ifs h ALA 255 N 1.04 0.32 -0.38 1.82 0.00 -1.21 -0.92 119.26 119.92 3ifs h ALA 255 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3ifs h ALA 255 Cb 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ifs h ALA 255 CO -0.02 -0.22 0.17 0.28 0.00 0.00 0.00 179.25 179.46 3ifs h VAL 256 N 0.33 1.18 -0.39 0.00 2.07 -0.91 -2.05 116.25 116.50 3ifs h VAL 256 Ca 0.09 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3ifs h VAL 256 Cb -0.03 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3ifs h VAL 256 CO -0.02 0.20 0.14 0.58 0.02 0.00 0.00 177.57 178.48 3ifs h VAL 257 N 0.47 1.20 -0.42 2.57 2.07 -0.94 -0.75 116.25 120.46 3ifs h VAL 257 Ca 0.13 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 3ifs h VAL 257 Cb 0.16 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3ifs h VAL 257 CO -0.01 0.23 -0.05 0.08 0.02 0.00 0.00 177.57 177.84 3ifs h ARG 258 N 0.48 0.71 -0.34 1.57 0.11 -1.13 -0.85 114.38 114.92 3ifs h ARG 258 Ca 0.13 -0.20 -0.09 0.00 0.10 0.00 0.00 59.98 59.92 3ifs h ARG 258 Cb 0.22 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.21 3ifs h ARG 258 CO -0.01 0.76 -0.16 -0.91 0.10 0.00 0.00 179.97 179.75 3ifs h ASN 259 N 0.66 0.62 -0.50 0.08 2.35 -1.11 -1.26 115.58 116.42 3ifs h ASN 259 Ca 0.13 -0.19 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 3ifs h ASN 259 Cb 0.48 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 3ifs h ASN 259 CO 0.02 0.79 -0.04 0.00 -1.65 0.00 0.00 177.43 176.56 3ifs h ALA 260 N 1.27 0.68 -0.65 -0.83 0.00 -0.52 -2.01 119.26 117.20 3ifs h ALA 260 Ca 0.09 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3ifs h ALA 260 Cb 0.59 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3ifs h ALA 260 CO 0.04 0.53 0.05 -0.07 0.00 0.00 0.00 179.25 179.80 3ifs h LEU 261 N 0.77 1.07 -0.68 0.00 3.38 -0.99 -2.45 115.31 116.41 3ifs h LEU 261 Ca 0.14 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.87 3ifs h LEU 261 Cb 0.57 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3ifs h LEU 261 CO 0.03 1.09 0.40 0.22 0.09 0.00 0.00 178.44 180.27 3ifs h TYR 262 N 1.02 0.73 0.00 1.13 3.20 -1.08 -0.34 116.97 121.63 3ifs h TYR 262 Ca 0.19 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 3ifs h TYR 262 Cb 0.51 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 3ifs h TYR 262 CO 0.04 0.38 -0.01 -0.91 -1.64 0.00 0.00 178.16 176.02 3ifs h ASN 263 N 0.75 0.00 -0.07 -2.11 2.35 -0.95 -1.03 115.58 114.51 3ifs h ASN 263 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3ifs h ASN 263 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3ifs h ASN 263 CO -0.15 0.01 0.00 0.29 -1.65 0.00 0.00 177.43 175.93 3ifs n LYS 264 N -3.11 1.64 -0.10 0.81 5.02 -0.50 -4.91 118.16 117.00 3ifs n LYS 264 Ca -0.01 -0.94 0.00 0.00 -2.02 0.00 0.00 58.31 55.34 3ifs n LYS 264 Cb 0.21 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 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 1.14 0.88 3.45 0.72 0.00 -0.39 -5.02 105.19 105.97 3ifs n GLY 265 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.90 3.57 0.00 1.61 -0.14 -0.26 -4.60 119.74 119.03 3ifs s LYS 266 Ca 0.00 -1.74 0.26 0.00 -1.36 0.00 0.00 55.97 53.12 3ifs s LYS 266 Cb 0.00 -4.87 0.58 0.00 -1.68 0.00 0.00 37.83 31.86 3ifs s LYS 266 CO 0.00 -1.76 1.47 0.25 -0.76 0.00 0.00 175.35 174.55 3ifs n THR 267 N 5.46 0.00 -4.40 2.17 -2.24 -0.56 -3.59 114.28 111.12 3ifs n THR 267 Ca 0.22 -0.28 -0.30 0.00 -2.27 0.00 0.00 64.05 61.42 3ifs n THR 267 Cb 0.49 0.84 -0.17 0.00 -2.10 0.00 0.00 70.33 69.39 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 -2.22 1.69 0.00 2.28 1.01 -0.75 -0.74 121.20 122.47 3ifs s ILE 268 Ca 0.29 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.19 3ifs s ILE 268 Cb 0.20 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 41.14 3ifs s ILE 268 CO 0.42 0.48 0.00 1.21 0.00 0.00 0.00 174.94 177.05 3ifs n GLU 269 N 4.31 2.24 -3.62 2.79 2.13 -0.37 -1.44 120.64 126.69 3ifs n GLU 269 Ca -0.19 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.57 3ifs n GLU 269 Cb 0.51 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.14 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 -0.78 -0.04 4.31 2.96 -0.29 -0.39 118.68 124.45 3ifs s LEU 271 Ca 0.00 1.06 0.01 0.00 -0.22 0.00 0.00 54.13 54.97 3ifs s LEU 271 Cb 0.00 1.56 -0.03 0.00 0.50 0.00 0.00 46.19 48.22 3ifs s LEU 271 CO 0.00 -0.24 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.14 3ifs s ILE 272 N 2.68 4.05 0.21 6.68 -1.09 0.33 -1.43 121.20 132.63 3ifs s ILE 272 Ca -0.01 -0.50 0.04 0.00 -2.23 0.00 0.00 60.65 57.95 3ifs s ILE 272 Cb -0.12 -2.74 -0.05 0.00 -1.58 0.00 0.00 42.46 37.96 3ifs s ILE 272 CO -0.15 0.48 -0.02 0.54 -1.23 0.00 0.00 174.94 174.57 3ifs s ASN 273 N -1.21 1.79 -0.07 3.58 2.20 -1.06 -0.35 114.94 119.82 3ifs s ASN 273 Ca 0.16 -1.19 0.11 0.00 -0.94 0.00 0.00 52.86 51.00 3ifs s ASN 273 Cb -0.11 0.01 0.16 0.00 -2.00 0.00 0.00 41.25 39.31 3ifs s ASN 273 CO 0.06 -0.49 1.07 -1.22 -2.94 0.00 0.00 177.10 173.59 3ifs n TYR 274 N -0.38 0.00 -3.71 1.54 4.02 -1.26 -0.53 117.16 116.85 3ifs n TYR 274 Ca -0.06 -0.76 -0.25 0.00 -0.01 0.00 0.00 57.90 56.82 3ifs n TYR 274 Cb 0.63 -0.10 -0.17 0.00 -0.02 0.00 0.00 39.34 39.68 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 -2.00 0.41 0.63 -0.72 0.41 -1.26 -4.75 118.70 111.42 3ifs s GLU 275 Ca 0.18 -0.11 0.31 0.00 -0.41 0.00 0.00 54.97 54.94 3ifs s GLU 275 Cb 0.16 -1.56 1.70 0.00 -1.78 0.00 0.00 34.13 32.64 3ifs s GLU 275 CO 0.02 -0.52 2.01 -1.00 -0.49 0.00 0.00 175.26 175.27 3ifs h PRO 276 N 8.33 0.00 0.00 0.39 0.13 -1.93 -0.91 132.00 138.02 3ifs h PRO 276 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3ifs h PRO 276 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3ifs h PRO 276 CO 0.28 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.05 3ifs h ALA 277 N 1.54 1.00 -0.12 -0.56 0.00 -1.96 -2.34 119.26 116.82 3ifs h ALA 277 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ifs h ALA 277 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3ifs h ALA 277 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3ifs n LEU 278 N -2.62 1.25 0.03 0.00 4.77 -0.34 -4.37 117.00 115.71 3ifs n LEU 278 Ca 0.00 -0.52 -0.10 0.00 -0.03 0.00 0.00 56.01 55.36 3ifs n LEU 278 Cb 0.20 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 3ifs n LEU 278 CO 0.20 0.26 0.75 -0.61 -1.33 0.00 0.00 177.39 176.66 3ifs h GLN 279 N 1.66 -0.24 0.00 3.23 4.15 -1.60 -2.10 115.11 120.20 3ifs h GLN 279 Ca 0.00 0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.35 3ifs h GLN 279 Cb 0.36 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 3ifs h GLN 279 CO 0.00 -0.16 -0.41 1.88 -1.93 0.00 0.00 178.83 178.21 3ifs h TYR 280 N -0.25 0.00 -0.98 3.99 0.05 -1.84 -2.48 116.97 115.46 3ifs h TYR 280 Ca 0.07 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.88 3ifs h TYR 280 Cb 0.35 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.04 3ifs h TYR 280 CO -0.25 0.41 0.64 0.35 -1.05 0.00 0.00 178.16 178.26 3ifs h PHE 281 N 0.00 1.21 -0.47 4.88 3.57 -1.67 -0.86 116.94 123.60 3ifs h PHE 281 Ca -0.00 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 3ifs h PHE 281 Cb 0.76 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3ifs h PHE 281 CO 0.00 0.72 0.08 0.00 -2.23 0.00 0.00 178.31 176.88 3ifs h ALA 282 N 1.39 1.27 -0.66 2.41 0.00 -0.93 -0.33 119.26 122.40 3ifs h ALA 282 Ca 0.38 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3ifs h ALA 282 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3ifs h ALA 282 CO -0.11 0.50 0.10 0.93 0.00 0.00 0.00 179.25 180.68 3ifs h GLU 283 N 0.69 1.10 -0.38 0.00 4.39 -1.09 0.07 114.58 119.36 3ifs h GLU 283 Ca 0.15 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 3ifs h GLU 283 Cb 0.31 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3ifs h GLU 283 CO 0.00 1.01 0.23 2.35 -1.16 0.00 0.00 179.01 181.43 3ifs h TRP 284 N 1.02 0.50 -0.72 4.33 7.01 -0.70 -2.20 115.95 125.20 3ifs h TRP 284 Ca 0.20 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.18 3ifs h TRP 284 Cb 0.45 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.31 3ifs h TRP 284 CO 0.03 0.36 0.38 2.35 -2.79 0.00 0.00 178.44 178.77 3ifs h TRP 285 N 0.49 0.98 -0.54 2.65 7.01 -0.72 -1.41 115.95 124.41 3ifs h TRP 285 Ca 0.14 -0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.07 3ifs h TRP 285 Cb 0.01 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.73 3ifs h TRP 285 CO -0.04 0.69 0.16 0.87 -2.79 0.00 0.00 178.44 177.34 3ifs h LYS 286 N 1.00 0.85 -0.33 2.65 1.57 -0.65 -1.70 116.57 119.96 3ifs h LYS 286 Ca 0.25 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3ifs h LYS 286 Cb 0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3ifs h LYS 286 CO -0.04 0.78 0.12 0.37 -0.57 0.00 0.00 179.45 180.11 3ifs h GLN 287 N 0.75 0.51 0.14 3.15 4.15 -1.08 0.23 115.11 122.96 3ifs h GLN 287 Ca 0.17 -0.10 0.01 0.00 0.77 0.00 0.00 58.65 59.50 3ifs h GLN 287 Cb 0.29 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 3ifs h GLN 287 CO -0.00 0.52 -0.49 1.25 -1.93 0.00 0.00 178.83 178.17 3ifs h LEU 288 N 0.39 -1.48 -0.04 -2.39 5.85 -1.03 0.11 115.31 116.72 3ifs h LEU 288 Ca 0.11 0.15 -0.26 0.00 0.84 0.00 0.00 57.88 58.72 3ifs h LEU 288 Cb 0.21 0.54 0.02 0.00 0.37 0.00 0.00 40.66 41.80 3ifs h LEU 288 CO -0.01 -0.53 -1.04 -0.26 -0.34 0.00 0.00 178.44 176.26 3ifs h PHE 289 N -0.72 0.87 0.05 1.25 0.04 -1.37 -2.54 116.94 114.52 3ifs h PHE 289 Ca -0.01 -0.49 -0.00 0.00 2.80 0.00 0.00 57.97 60.27 3ifs h PHE 289 Cb 0.72 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.77 3ifs h PHE 289 CO -0.43 1.32 -0.02 0.78 -0.60 0.00 0.00 178.31 179.36 3ifs h GLY 290 N 0.72 -0.06 1.87 -1.45 0.00 -0.47 -1.14 103.07 102.54 3ifs h GLY 290 Ca -0.12 0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.07 3ifs h GLY 290 CO 0.20 -0.02 -0.73 0.83 0.00 0.00 0.00 176.54 176.81 3ifs h GLU 291 N -0.07 0.12 -0.11 4.80 5.08 -0.90 -1.99 114.58 121.52 3ifs h GLU 291 Ca -0.01 -0.11 -0.22 0.00 -1.00 0.00 0.00 59.36 58.02 3ifs h GLU 291 Cb 0.05 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.34 3ifs h GLU 291 CO 0.01 0.80 -0.81 0.77 -1.00 0.00 0.00 179.01 178.78 3ifs h SER 292 N 0.08 0.83 0.00 1.42 0.02 -1.36 -3.39 113.55 111.16 3ifs h SER 292 Ca -0.02 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 3ifs h SER 292 Cb 1.29 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.58 3ifs h SER 292 CO 0.11 1.36 -0.66 -0.62 -1.14 0.00 0.00 176.83 175.87 3ifs n GLU 293 N -3.90 2.87 -1.71 3.45 1.02 -0.44 -4.23 120.64 117.70 3ifs n GLU 293 Ca -0.07 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.63 3ifs n GLU 293 Cb 0.76 -1.07 -0.00 0.00 -0.02 0.00 0.00 31.44 31.11 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 1.34 4.39 3.31 0.62 0.00 -0.75 -4.07 105.19 110.04 3ifs n GLY 294 Ca 0.02 -1.58 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 3ifs n GLY 294 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ifs s LYS 295 N 3.19 1.08 -1.42 1.61 -2.85 -1.20 -4.88 119.74 115.27 3ifs s LYS 295 Ca 0.48 -1.07 -0.03 0.00 -1.00 0.00 0.00 55.97 54.35 3ifs s LYS 295 Cb 0.14 0.38 0.01 0.00 -2.06 0.00 0.00 37.83 36.31 3ifs s LYS 295 CO -0.09 -0.39 0.24 -0.25 0.10 0.00 0.00 175.35 174.96 3ifs n ASP 296 N -0.18 -4.97 -1.64 0.03 8.00 -1.26 -1.52 116.55 115.01 3ifs n ASP 296 Ca -0.10 -0.08 -0.15 0.00 0.71 0.00 0.00 54.79 55.16 3ifs n ASP 296 Cb 0.63 -4.12 -0.02 0.00 -0.02 0.00 0.00 41.12 37.60 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 -3.34 -1.18 -4.48 -1.24 3.00 -1.26 -5.02 117.38 103.86 3ifs n GLN 297 Ca -0.14 0.78 -0.23 0.00 -0.01 0.00 0.00 57.00 57.39 3ifs n GLN 297 Cb 0.62 -5.09 -0.10 0.00 0.00 0.00 0.00 30.24 25.68 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 -4.54 1.76 0.00 -1.09 1.02 -0.57 -5.14 119.74 111.18 3ifs s LYS 298 Ca 0.00 -2.02 0.00 0.00 0.02 0.00 0.00 55.97 53.97 3ifs s LYS 298 Cb 0.00 -0.79 0.00 0.00 -0.52 0.00 0.00 37.83 36.52 3ifs s LYS 298 CO 0.00 -0.30 0.00 0.41 -0.92 0.00 0.00 175.35 174.54 3ifs n GLY 299 N -0.78 3.28 3.74 -3.33 0.00 -1.26 -3.27 105.19 103.57 3ifs n GLY 299 Ca -0.04 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.90 2.55 -0.16 -0.61 1.01 -1.26 -4.96 121.20 116.87 3ifs s ILE 300 Ca 0.00 0.45 -0.28 0.00 0.00 0.00 0.00 60.65 60.82 3ifs s ILE 300 Cb 0.00 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 3ifs s ILE 300 CO 0.00 0.07 0.98 0.12 0.00 0.00 0.00 174.94 176.11 3ifs s PHE 301 N 0.15 3.44 -0.27 3.97 5.36 0.08 -4.85 117.98 125.87 3ifs s PHE 301 Ca 0.61 1.48 -0.21 0.00 -0.96 0.00 0.00 56.93 57.86 3ifs s PHE 301 Cb -0.43 -3.18 -0.02 0.00 -0.34 0.00 0.00 43.02 39.05 3ifs s PHE 301 CO 0.42 -0.31 0.64 -1.25 -1.46 0.00 0.00 175.22 173.26 3ifs s PRO 302 N 2.43 4.07 0.41 10.12 0.04 -1.26 -1.24 135.00 149.57 3ifs s PRO 302 Ca 0.45 0.52 0.04 0.00 0.04 0.00 0.00 61.00 62.05 3ifs s PRO 302 Cb -0.17 -3.67 -0.05 0.00 0.04 0.00 0.00 34.50 30.65 3ifs s PRO 302 CO 0.13 -0.46 0.04 0.45 0.04 0.00 0.00 177.00 177.20 3ifs s SER 303 N 1.51 3.33 0.12 6.66 0.15 0.47 -4.97 113.70 120.96 3ifs s SER 303 Ca 0.27 -1.49 -0.14 0.00 0.70 0.00 0.00 55.95 55.28 3ifs s SER 303 Cb -0.15 0.07 0.03 0.00 -1.71 0.00 0.00 66.02 64.26 3ifs s SER 303 CO 0.09 -0.68 0.36 -0.94 1.20 0.00 0.00 173.24 173.27 3ifs s SER 304 N -3.67 -0.16 -0.03 5.45 1.04 -1.26 -1.14 113.70 113.93 3ifs s SER 304 Ca 0.26 -0.40 -0.17 0.00 0.48 0.00 0.00 55.95 56.12 3ifs s SER 304 Cb 0.06 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.66 3ifs s SER 304 CO 0.13 -0.83 0.38 0.00 0.98 0.00 0.00 173.24 173.90 3ifs s ALA 305 N -3.82 -0.97 -0.34 5.32 0.00 -0.51 -4.86 121.76 116.57 3ifs s ALA 305 Ca 0.04 0.56 -0.05 0.00 0.00 0.00 0.00 51.96 52.51 3ifs s ALA 305 Cb 0.02 -0.00 0.05 0.00 0.00 0.00 0.00 23.12 23.19 3ifs s ALA 305 CO -0.11 -0.27 0.10 -0.80 0.00 0.00 0.00 175.76 174.67 3ifs s ASN 306 N -1.17 5.24 0.25 0.00 0.01 -1.26 -2.55 114.94 115.46 3ifs s ASN 306 Ca -0.12 -1.27 0.03 0.00 -0.71 0.00 0.00 52.86 50.79 3ifs s ASN 306 Cb -0.04 -1.84 -0.03 0.00 0.41 0.00 0.00 41.25 39.75 3ifs s ASN 306 CO 0.05 -0.35 0.39 -0.36 -1.51 0.00 0.00 177.10 175.33 3ifs s PHE 307 N 1.35 3.47 -0.96 2.20 0.08 0.31 -0.19 117.98 124.24 3ifs s PHE 307 Ca -0.01 0.12 0.24 0.00 0.12 0.00 0.00 56.93 57.40 3ifs s PHE 307 Cb -0.20 -1.68 1.01 0.00 -0.57 0.00 0.00 43.02 41.58 3ifs s PHE 307 CO 0.01 0.38 1.77 -1.13 -0.10 0.00 0.00 175.22 176.15 3ifs n SER 308 N -1.29 0.08 -0.38 1.36 3.41 -1.26 -4.01 113.62 111.52 3ifs n SER 308 Ca -0.07 0.51 -0.05 0.00 -0.26 0.00 0.00 58.87 58.99 3ifs n SER 308 Cb 0.56 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 3ifs n SER 308 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3ifs n THR 309 N -1.58 -0.57 1.15 6.66 -1.04 -1.17 -0.66 114.28 117.07 3ifs n THR 309 Ca 0.06 2.28 0.11 0.00 -2.04 0.00 0.00 64.05 64.46 3ifs n THR 309 Cb 0.29 -2.93 0.59 0.00 -1.82 0.00 0.00 70.33 66.46 3ifs n THR 309 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3ifs n ASP 310 N -5.32 0.00 0.14 8.00 8.00 0.74 -2.24 116.55 125.87 3ifs n ASP 310 Ca 0.06 -0.25 0.12 0.00 0.71 0.00 0.00 54.79 55.44 3ifs n ASP 310 Cb 0.32 -0.19 0.50 0.00 -0.02 0.00 0.00 41.12 41.73 3ifs n ASP 310 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3ifs h LEU 311 N 0.00 0.00 -1.97 0.64 3.38 -1.14 0.22 115.31 116.44 3ifs h LEU 311 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ifs h LEU 311 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3ifs h LEU 311 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 3ifs n HIS 312 N -2.31 0.28 0.03 1.13 8.25 -0.95 -2.99 115.22 118.66 3ifs n HIS 312 Ca 0.02 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3ifs n HIS 312 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 1.23 0.23 -0.38 0.41 3.41 -0.94 -4.88 113.62 112.70 3ifs n SER 313 Ca 0.17 0.08 0.09 0.00 -0.26 0.00 0.00 58.87 58.95 3ifs n SER 313 Cb 0.56 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 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 -3.06 1.69 -0.17 1.04 4.77 0.68 -4.62 117.00 117.33 3ifs n LEU 314 Ca 0.00 -0.75 -0.02 0.00 -0.03 0.00 0.00 56.01 55.20 3ifs n LEU 314 Cb 0.24 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.40 3ifs n LEU 314 CO 0.00 0.32 0.94 1.23 -1.33 0.00 0.00 177.39 178.56 3ifs h GLY 315 N 3.83 0.67 0.46 -0.72 0.00 -1.23 -0.01 103.07 106.06 3ifs h GLY 315 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.32 3ifs h GLY 315 CO 0.00 -0.03 0.00 -1.61 0.00 0.00 0.00 176.54 174.90 3ifs h GLN 316 N 0.31 0.10 -0.41 4.80 5.75 -1.82 -1.45 115.11 122.38 3ifs h GLN 316 Ca 0.25 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.73 3ifs h GLN 316 Cb 0.31 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 3ifs h GLN 316 CO -0.29 0.06 0.18 -0.92 -2.65 0.00 0.00 178.83 175.22 3ifs h TYR 317 N 0.10 0.60 -0.73 3.99 3.20 -1.65 -0.43 116.97 122.05 3ifs h TYR 317 Ca 0.17 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3ifs h TYR 317 Cb 0.23 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 3ifs h TYR 317 CO -0.24 0.51 0.37 0.28 -1.64 0.00 0.00 178.16 177.44 3ifs h VAL 318 N 0.52 1.23 -0.18 1.81 2.07 -0.75 0.60 116.25 121.54 3ifs h VAL 318 Ca 0.14 -0.61 -0.17 0.00 0.82 0.00 0.00 66.70 66.88 3ifs h VAL 318 Cb 0.14 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3ifs h VAL 318 CO -0.02 0.26 -0.55 -0.61 0.02 0.00 0.00 177.57 176.68 3ifs h GLN 319 N 1.03 0.69 0.00 1.57 5.75 -0.97 -3.42 115.11 119.77 3ifs h GLN 319 Ca 0.25 -0.50 0.00 0.00 -0.15 0.00 0.00 58.65 58.25 3ifs h GLN 319 Cb 0.07 0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.71 3ifs h GLN 319 CO -0.04 1.12 -0.06 0.39 -2.65 0.00 0.00 178.83 177.59 3ifs n GLU 320 N -4.12 0.61 0.00 1.69 1.02 -0.20 -4.74 120.64 114.90 3ifs n GLU 320 Ca -0.07 -0.83 0.00 0.00 -0.02 0.00 0.00 57.16 56.25 3ifs n GLU 320 Cb 0.62 -0.63 0.00 0.00 -0.02 0.00 0.00 31.44 31.41 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 -0.15 0.37 3.76 0.62 0.00 0.19 -4.99 105.19 104.99 3ifs n GLY 321 Ca 0.01 -1.75 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 3ifs n GLY 321 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ifs s ARG 322 N 1.10 3.38 -1.19 1.61 0.52 -1.26 -4.91 118.95 118.20 3ifs s ARG 322 Ca 0.00 2.27 -0.04 0.00 -0.52 0.00 0.00 55.73 57.43 3ifs s ARG 322 Cb 0.00 -2.41 0.21 0.00 0.52 0.00 0.00 34.95 33.27 3ifs s ARG 322 CO 0.00 -1.01 2.06 0.54 0.02 0.00 0.00 175.30 176.91 3ifs n ARG 323 N -0.69 4.79 -0.05 3.54 5.12 -1.26 -4.45 116.66 123.67 3ifs n ARG 323 Ca 0.08 -4.00 0.05 0.00 -1.93 0.00 0.00 57.85 52.06 3ifs n ARG 323 Cb 0.44 -2.59 0.08 0.00 -1.16 0.00 0.00 32.46 29.23 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 1.27 2.24 -4.56 0.55 8.00 -1.26 -4.82 116.55 117.97 3ifs n ASP 324 Ca 0.51 -2.57 -0.28 0.00 0.71 0.00 0.00 54.79 53.16 3ifs n ASP 324 Cb 0.27 -0.23 -0.10 0.00 -0.02 0.00 0.00 41.12 41.04 3ifs n ASP 324 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ifs s LEU 325 N -1.99 2.94 0.03 0.64 1.43 -1.26 -1.50 118.68 118.97 3ifs s LEU 325 Ca 0.18 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3ifs s LEU 325 Cb 0.15 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 3ifs s LEU 325 CO 0.02 0.14 -0.04 0.72 0.23 0.00 0.00 176.35 177.42 3ifs s PHE 326 N -1.48 0.42 0.00 0.29 -0.12 -0.52 -4.27 117.98 112.30 3ifs s PHE 326 Ca 0.23 -0.68 0.07 0.00 -0.05 0.00 0.00 56.93 56.50 3ifs s PHE 326 Cb -0.10 -0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 41.98 3ifs s PHE 326 CO 0.14 -0.22 -0.22 -1.21 -0.05 0.00 0.00 175.22 173.66 3ifs s GLU 327 N -2.22 2.12 -0.23 1.99 2.02 -0.11 -4.34 118.70 117.94 3ifs s GLU 327 Ca -0.08 -0.93 0.01 0.00 0.02 0.00 0.00 54.97 54.00 3ifs s GLU 327 Cb -0.05 -2.14 0.05 0.00 0.10 0.00 0.00 34.13 32.10 3ifs s GLU 327 CO -0.03 0.56 -0.10 0.99 0.02 0.00 0.00 175.26 176.70 3ifs s THR 328 N -0.75 1.78 -0.26 3.63 2.01 -1.26 -0.48 115.64 120.31 3ifs s THR 328 Ca 0.12 -1.25 -0.12 0.00 0.31 0.00 0.00 61.69 60.75 3ifs s THR 328 Cb -0.10 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 3ifs s THR 328 CO 0.01 0.05 0.22 -0.69 -0.69 0.00 0.00 174.62 173.52 3ifs s VAL 329 N 1.30 5.30 -0.37 3.82 1.01 0.39 -0.51 120.40 131.35 3ifs s VAL 329 Ca -0.05 0.27 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 3ifs s VAL 329 Cb -0.18 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.66 3ifs s VAL 329 CO -0.07 0.27 0.92 -0.76 0.00 0.00 0.00 175.10 175.46 3ifs s LEU 330 N 1.52 4.00 -0.23 3.92 1.43 0.52 -0.95 118.68 128.90 3ifs s LEU 330 Ca 0.09 0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 53.74 3ifs s LEU 330 Cb -0.15 -3.26 0.01 0.00 0.03 0.00 0.00 46.19 42.83 3ifs s LEU 330 CO 0.08 -0.86 -0.07 -0.75 0.23 0.00 0.00 176.35 174.98 3ifs s LYS 331 N 3.47 3.05 -0.10 1.70 2.47 -0.76 -4.20 119.74 125.38 3ifs s LYS 331 Ca 0.38 -0.83 -0.22 0.00 -1.56 0.00 0.00 55.97 53.74 3ifs s LYS 331 Cb -0.12 -2.94 -0.04 0.00 -1.46 0.00 0.00 37.83 33.27 3ifs s LYS 331 CO 0.19 -0.30 0.64 0.08 0.16 0.00 0.00 175.35 176.11 3ifs s VAL 332 N 1.38 5.07 0.08 4.02 1.01 -1.26 -0.65 120.40 130.05 3ifs s VAL 332 Ca 0.03 1.29 -0.17 0.00 0.00 0.00 0.00 61.98 63.13 3ifs s VAL 332 Cb -0.15 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 3ifs s VAL 332 CO -0.05 0.24 1.39 1.23 0.00 0.00 0.00 175.10 177.91 3ifs h GLY 333 N 7.00 0.61 -5.71 4.51 0.00 0.40 -3.44 103.07 106.43 3ifs h GLY 333 Ca -0.39 -0.62 -0.64 0.00 0.00 0.00 0.00 47.33 45.68 3ifs h GLY 333 CO 0.76 0.56 -0.86 1.25 0.00 0.00 0.00 176.54 178.25 3ifs s LYS 334 N -4.35 2.70 0.30 4.80 2.47 -0.35 -5.01 119.74 120.29 3ifs s LYS 334 Ca -0.13 -0.74 -0.29 0.00 -1.56 0.00 0.00 55.97 53.25 3ifs s LYS 334 Cb 0.07 -2.17 -0.09 0.00 -1.46 0.00 0.00 37.83 34.18 3ifs s LYS 334 CO 0.80 0.02 1.06 0.45 0.16 0.00 0.00 175.35 177.84 3ifs s SER 335 N 0.75 7.24 0.20 1.43 0.15 -1.26 -4.54 113.70 117.66 3ifs s SER 335 Ca -0.10 2.18 -0.10 0.00 0.70 0.00 0.00 55.95 58.63 3ifs s SER 335 Cb -0.16 -2.62 0.14 0.00 -1.71 0.00 0.00 66.02 61.67 3ifs s SER 335 CO 0.01 -0.16 1.81 0.74 1.20 0.00 0.00 173.24 176.84 3ifs h THR 336 N 2.94 1.23 -3.95 6.45 2.02 -2.00 -3.43 112.91 116.18 3ifs h THR 336 Ca -0.47 -0.62 -0.59 0.00 0.77 0.00 0.00 66.41 65.50 3ifs h THR 336 Cb 1.21 0.28 -0.22 0.00 -1.74 0.00 0.00 68.15 67.68 3ifs h THR 336 CO 0.66 0.27 -0.84 -1.00 0.37 0.00 0.00 175.52 174.98 3ifs s HIS 337 N -5.78 1.92 0.04 3.16 3.76 -1.26 -5.15 115.29 111.99 3ifs s HIS 337 Ca -0.13 -0.41 0.08 0.00 -0.15 0.00 0.00 55.06 54.45 3ifs s HIS 337 Cb 0.15 -1.06 -0.03 0.00 1.11 0.00 0.00 32.58 32.75 3ifs s HIS 337 CO 0.81 0.23 -0.20 -1.21 -0.85 0.00 0.00 174.74 173.52 3ifs s GLU 338 N -1.88 2.01 -0.04 1.40 0.41 -1.26 -4.94 118.70 114.40 3ifs s GLU 338 Ca 0.08 -1.01 0.01 0.00 -0.41 0.00 0.00 54.97 53.64 3ifs s GLU 338 Cb -0.10 -2.15 0.02 0.00 -1.78 0.00 0.00 34.13 30.13 3ifs s GLU 338 CO 0.04 0.53 -0.02 -0.51 -0.49 0.00 0.00 175.26 174.81 3ifs s LEU 339 N -1.44 1.28 -0.14 1.80 1.43 -1.26 -5.05 118.68 115.31 3ifs s LEU 339 Ca 0.14 -0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.08 3ifs s LEU 339 Cb -0.10 -0.33 -0.04 0.00 0.03 0.00 0.00 46.19 45.74 3ifs s LEU 339 CO 0.05 -0.07 0.16 -0.89 0.23 0.00 0.00 176.35 175.83 3ifs s THR 340 N 0.92 5.44 0.08 5.49 2.01 -1.26 -0.34 115.64 127.98 3ifs s THR 340 Ca -0.11 0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 3ifs s THR 340 Cb -0.14 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 3ifs s THR 340 CO -0.01 0.55 1.09 -0.63 -0.69 0.00 0.00 174.62 174.93 3ifs s ILE 341 N -0.52 4.28 0.11 1.82 1.01 0.59 -4.92 121.20 123.57 3ifs s ILE 341 Ca 0.13 1.73 0.04 0.00 0.00 0.00 0.00 60.65 62.56 3ifs s ILE 341 Cb -0.12 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 3ifs s ILE 341 CO 0.03 0.19 0.08 -1.61 0.00 0.00 0.00 174.94 173.63 3ifs s GLU 342 N 0.57 2.82 0.64 2.79 2.02 -1.26 -0.73 118.70 125.55 3ifs s GLU 342 Ca 0.53 -0.77 -0.11 0.00 0.02 0.00 0.00 54.97 54.64 3ifs s GLU 342 Cb -0.26 -2.66 -0.03 0.00 0.10 0.00 0.00 34.13 31.27 3ifs s GLU 342 CO 0.30 0.54 1.04 -1.54 0.02 0.00 0.00 175.26 175.62 3ifs s SER 343 N -2.58 6.07 -0.05 -0.19 1.04 -1.26 -4.85 113.70 111.88 3ifs s SER 343 Ca 0.29 1.41 0.04 0.00 0.48 0.00 0.00 55.95 58.17 3ifs s SER 343 Cb -0.11 -2.42 -0.00 0.00 0.10 0.00 0.00 66.02 63.58 3ifs s SER 343 CO 0.22 -0.97 -0.18 -1.61 0.98 0.00 0.00 173.24 171.68 3ifs s GLU 344 N -5.19 1.90 0.13 4.02 0.41 -1.26 -5.07 118.70 113.64 3ifs s GLU 344 Ca 0.56 -0.64 -0.22 0.00 -0.41 0.00 0.00 54.97 54.25 3ifs s GLU 344 Cb -0.11 -1.63 -0.04 0.00 -1.78 0.00 0.00 34.13 30.57 3ifs s GLU 344 CO 0.54 0.25 1.68 0.93 -0.49 0.00 0.00 175.26 178.16 3ifs h GLU 345 N 6.28 -0.17 0.00 1.61 4.39 -2.05 -2.85 114.58 121.79 3ifs h GLU 345 Ca -0.32 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.34 3ifs h GLU 345 Cb 1.18 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 3ifs h GLU 345 CO 0.48 -0.11 -0.26 -0.91 -1.16 0.00 0.00 179.01 177.05 3ifs h ASN 346 N -0.17 0.00 -6.08 1.42 2.35 -2.06 -3.47 115.58 107.58 3ifs h ASN 346 Ca 0.08 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.43 3ifs h ASN 346 Cb 0.29 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.48 3ifs h ASN 346 CO -0.21 0.26 -0.59 -0.67 -1.65 0.00 0.00 177.43 174.56 3ifs n ASP 347 N -3.44 -2.56 0.26 5.81 2.03 -1.08 -4.83 116.55 112.74 3ifs n ASP 347 Ca -0.00 -0.57 0.10 0.00 0.52 0.00 0.00 54.79 54.84 3ifs n ASP 347 Cb 0.44 -2.17 0.69 0.00 -0.72 0.00 0.00 41.12 39.35 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 -0.82 0.00 -0.25 -2.67 3.38 -1.91 -1.88 115.31 111.16 3ifs h LEU 348 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3ifs h LEU 348 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3ifs h LEU 348 CO 0.58 0.10 -0.18 -0.90 0.09 0.00 0.00 178.44 178.13 3ifs n ASP 349 N -4.02 0.57 -1.47 -0.43 5.68 -1.26 -4.95 116.55 110.67 3ifs n ASP 349 Ca -0.02 -0.54 -0.13 0.00 -0.50 0.00 0.00 54.79 53.60 3ifs n ASP 349 Cb 0.19 -0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.13 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 1.33 -0.00 0.42 6.12 0.00 -0.71 -4.92 105.19 107.44 3ifs n GLY 350 Ca 0.12 -0.33 0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.88 1.85 0.23 0.99 4.77 -1.26 -4.51 117.00 117.18 3ifs n LEU 351 Ca -0.16 -0.74 0.18 0.00 -0.03 0.00 0.00 56.01 55.26 3ifs n LEU 351 Cb 0.60 0.00 0.85 0.00 -2.33 0.00 0.00 43.42 42.54 3ifs n LEU 351 CO 0.19 0.35 1.15 0.78 -1.33 0.00 0.00 177.39 178.53 3ifs h ASN 352 N 2.08 0.00 0.43 -1.43 2.35 -1.91 -1.21 115.58 115.90 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 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 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 -3.48 0.63 0.63 1.19 4.11 -1.26 -1.84 117.16 117.14 3ifs n TYR 353 Ca 0.02 0.27 0.10 0.00 -0.00 0.00 0.00 57.90 58.29 3ifs n TYR 353 Cb 0.38 -0.94 0.11 0.00 -0.00 0.00 0.00 39.34 38.90 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 -2.10 2.80 -4.69 -3.48 4.77 -0.46 -5.01 117.00 108.85 3ifs n LEU 354 Ca 0.01 -1.17 -0.44 0.00 -0.03 0.00 0.00 56.01 54.38 3ifs n LEU 354 Cb 0.15 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3ifs n LEU 354 CO 0.14 0.53 1.21 0.00 -1.33 0.00 0.00 177.39 177.95 3ifs n ALA 355 N 1.13 1.80 0.00 -1.18 0.00 -0.76 -1.26 120.51 120.25 3ifs n ALA 355 Ca 0.13 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3ifs n ALA 355 Cb 0.50 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.56 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 3.20 3.29 3.90 0.00 0.00 0.09 -4.99 105.19 110.68 3ifs n GLY 356 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.60 3.09 0.37 1.61 0.41 -0.39 -4.76 118.70 118.43 3ifs s GLU 357 Ca 0.00 0.21 0.02 0.00 -0.41 0.00 0.00 54.97 54.78 3ifs s GLU 357 Cb 0.00 -2.22 -0.02 0.00 -1.78 0.00 0.00 34.13 30.11 3ifs s GLU 357 CO 0.00 -0.67 0.56 0.95 -0.49 0.00 0.00 175.26 175.62 3ifs s THR 358 N -3.04 4.62 0.28 3.63 -4.23 -1.26 -0.30 115.64 115.34 3ifs s THR 358 Ca 0.54 -0.58 -0.03 0.00 -1.18 0.00 0.00 61.69 60.44 3ifs s THR 358 Cb -0.11 -3.68 0.21 0.00 1.34 0.00 0.00 72.50 70.26 3ifs s THR 358 CO 0.47 -0.42 1.89 0.58 -0.54 0.00 0.00 174.62 176.60 3ifs h VAL 359 N 0.68 1.23 0.00 2.29 2.07 -1.04 -2.29 116.25 119.20 3ifs h VAL 359 Ca -0.48 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 3ifs h VAL 359 Cb 1.24 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3ifs h VAL 359 CO 0.59 0.26 -0.23 -0.78 0.02 0.00 0.00 177.57 177.43 3ifs h ASP 360 N 1.02 0.00 -0.61 0.57 3.58 -1.92 -0.87 116.42 118.19 3ifs h ASP 360 Ca 0.25 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.70 3ifs h ASP 360 Cb 0.08 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 3ifs h ASP 360 CO -0.04 0.23 0.36 0.15 -2.88 0.00 0.00 179.24 177.06 3ifs h PHE 361 N 0.00 0.81 -0.53 0.28 3.57 -1.79 -0.88 116.94 118.40 3ifs h PHE 361 Ca -0.00 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 3ifs h PHE 361 Cb 0.52 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3ifs h PHE 361 CO 0.00 0.56 0.04 0.28 -2.23 0.00 0.00 178.31 176.96 3ifs h VAL 362 N 0.82 1.26 -0.79 1.41 2.07 -1.08 -1.81 116.25 118.13 3ifs h VAL 362 Ca 0.22 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 3ifs h VAL 362 Cb -0.01 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3ifs h VAL 362 CO -0.04 0.37 0.45 -1.13 0.02 0.00 0.00 177.57 177.24 3ifs h ASN 363 N 0.78 0.96 -0.46 0.57 -1.24 -0.95 -1.28 115.58 113.96 3ifs h ASN 363 Ca 0.15 -0.07 -0.09 0.00 0.71 0.00 0.00 56.30 57.00 3ifs h ASN 363 Cb 0.47 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 3ifs h ASN 363 CO 0.02 0.76 -0.08 0.74 -1.29 0.00 0.00 177.43 177.58 3ifs h THR 364 N 1.10 1.27 0.00 -3.57 2.02 -0.81 -1.94 112.91 110.98 3ifs h THR 364 Ca 0.28 -1.18 -0.10 0.00 0.77 0.00 0.00 66.41 66.19 3ifs h THR 364 Cb -0.01 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3ifs h THR 364 CO -0.05 0.41 -0.46 0.11 0.37 0.00 0.00 175.52 175.90 3ifs h LYS 365 N 0.70 0.00 -0.26 6.66 1.79 -0.95 -1.41 116.57 123.10 3ifs h LYS 365 Ca 0.12 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.55 3ifs h LYS 365 Cb 0.61 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 3ifs h LYS 365 CO 0.04 0.46 0.02 0.00 -1.08 0.00 0.00 179.45 178.89 3ifs h ALA 366 N 1.54 0.35 -0.07 3.86 0.00 -1.08 -0.13 119.26 123.74 3ifs h ALA 366 Ca -0.00 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3ifs h ALA 366 Cb 0.83 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3ifs h ALA 366 CO 0.06 0.07 -0.00 -0.92 0.00 0.00 0.00 179.25 178.45 3ifs h TYR 367 N 0.24 -0.01 -0.36 0.00 5.03 -0.95 -0.35 116.97 120.58 3ifs h TYR 367 Ca 0.08 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.37 3ifs h TYR 367 Cb 0.38 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.66 3ifs h TYR 367 CO 0.03 -0.01 0.13 0.93 -1.32 0.00 0.00 178.16 177.92 3ifs h GLU 368 N 0.02 0.54 -0.54 1.82 5.08 -1.21 -0.35 114.58 119.94 3ifs h GLU 368 Ca 0.03 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 3ifs h GLU 368 Cb 0.04 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3ifs h GLU 368 CO -0.05 0.55 0.02 0.78 -1.00 0.00 0.00 179.01 179.30 3ifs h GLY 369 N 0.43 0.98 1.17 -3.84 0.00 -0.92 -2.62 103.07 98.27 3ifs h GLY 369 Ca 0.12 -0.67 -0.18 0.00 0.00 0.00 0.00 47.33 46.60 3ifs h GLY 369 CO -0.01 0.62 -0.50 -0.84 0.00 0.00 0.00 176.54 175.81 3ifs h THR 370 N 0.84 1.27 -0.83 4.70 2.02 -0.88 -1.64 112.91 118.40 3ifs h THR 370 Ca 0.16 -1.68 -0.03 0.00 0.77 0.00 0.00 66.41 65.63 3ifs h THR 370 Cb 0.48 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 3ifs h THR 370 CO 0.02 0.55 0.39 0.25 0.37 0.00 0.00 175.52 177.10 3ifs h LEU 371 N 0.69 1.09 -0.14 2.58 6.46 -0.89 0.93 115.31 126.03 3ifs h LEU 371 Ca 0.03 -0.14 -0.21 0.00 -0.12 0.00 0.00 57.88 57.44 3ifs h LEU 371 Cb 1.10 -0.28 0.01 0.00 -0.73 0.00 0.00 40.66 40.76 3ifs h LEU 371 CO 0.11 0.92 -0.71 -0.07 -0.62 0.00 0.00 178.44 178.07 3ifs h LEU 372 N 1.18 0.87 -0.06 2.25 3.38 -1.46 -1.29 115.31 120.19 3ifs h LEU 372 Ca 0.28 -0.63 0.01 0.00 0.09 0.00 0.00 57.88 57.63 3ifs h LEU 372 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3ifs h LEU 372 CO -0.03 1.37 0.01 0.00 0.09 0.00 0.00 178.44 179.87 3ifs h ALA 373 N 0.53 0.05 -0.74 1.53 0.00 -0.96 -1.08 119.26 118.59 3ifs h ALA 373 Ca -0.05 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3ifs h ALA 373 Cb 1.35 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3ifs h ALA 373 CO 0.15 -0.47 0.36 0.45 0.00 0.00 0.00 179.25 179.74 3ifs h HIS 374 N 0.03 1.07 -0.31 0.00 3.86 -0.82 -1.69 115.15 117.29 3ifs h HIS 374 Ca 0.02 -0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.22 3ifs h HIS 374 Cb 0.02 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.13 3ifs h HIS 374 CO -0.10 0.79 0.11 0.77 0.86 0.00 0.00 177.93 180.35 3ifs h SER 375 N 1.04 0.12 0.33 2.45 0.02 -1.07 -0.65 113.55 115.79 3ifs h SER 375 Ca 0.25 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 3ifs h SER 375 Cb 0.12 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 3ifs h SER 375 CO -0.03 0.10 -0.10 0.44 -1.14 0.00 0.00 176.83 176.10 3ifs h ASP 376 N 0.24 0.00 -0.12 3.07 3.32 -0.79 -1.91 116.42 120.24 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 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3ifs h ASP 376 CO -0.14 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.08 3ifs n GLY 377 N -0.75 -0.00 0.11 2.75 0.00 -0.67 -4.92 105.19 101.70 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 1.07 0.97 3.31 -0.02 0.00 -0.72 -4.86 105.19 104.95 3ifs n GLY 378 Ca 0.16 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 3.92 0.21 1.61 1.01 -0.33 -4.93 120.40 119.90 3ifs s VAL 379 Ca 0.00 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 60.76 3ifs s VAL 379 Cb 0.00 -3.13 -0.10 0.00 0.00 0.00 0.00 36.38 33.15 3ifs s VAL 379 CO 0.00 -0.06 1.54 -2.84 0.00 0.00 0.00 175.10 173.74 3ifs s PRO 380 N 1.46 4.21 -0.15 2.72 0.02 -1.26 -3.52 135.00 138.48 3ifs s PRO 380 Ca 0.01 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.41 3ifs s PRO 380 Cb -0.18 -3.12 -0.00 0.00 0.02 0.00 0.00 34.50 31.22 3ifs s PRO 380 CO 0.03 -0.56 -0.14 -0.80 -0.33 0.00 0.00 177.00 175.20 3ifs s ASN 381 N 0.79 3.74 0.08 2.53 0.01 -1.26 -0.94 114.94 119.90 3ifs s ASN 381 Ca 0.66 -0.44 0.05 0.00 -0.71 0.00 0.00 52.86 52.42 3ifs s ASN 381 Cb -0.44 -1.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.60 3ifs s ASN 381 CO 0.38 0.09 -0.05 -0.76 -1.51 0.00 0.00 177.10 175.24 3ifs s LEU 382 N 0.77 3.23 -0.06 0.60 1.43 0.36 -3.82 118.68 121.21 3ifs s LEU 382 Ca -0.06 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 52.83 3ifs s LEU 382 Cb -0.15 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.09 3ifs s LEU 382 CO 0.01 0.20 -0.20 -0.63 0.23 0.00 0.00 176.35 175.95 3ifs s ILE 383 N -1.21 1.67 -0.35 -0.59 1.01 -0.19 -0.46 121.20 121.07 3ifs s ILE 383 Ca 0.22 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 60.04 3ifs s ILE 383 Cb -0.11 -1.43 0.09 0.00 0.01 0.00 0.00 42.46 41.02 3ifs s ILE 383 CO 0.14 0.47 0.09 -0.69 0.00 0.00 0.00 174.94 174.95 3ifs s VAL 384 N 0.06 2.78 -0.26 2.92 1.01 -0.12 -0.62 120.40 126.17 3ifs s VAL 384 Ca -0.06 -2.00 -0.28 0.00 0.00 0.00 0.00 61.98 59.64 3ifs s VAL 384 Cb -0.13 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.38 3ifs s VAL 384 CO 0.04 -0.50 1.00 0.20 0.00 0.00 0.00 175.10 175.84 3ifs s ASN 385 N 1.34 6.99 -0.28 3.32 0.01 0.11 -1.82 114.94 124.60 3ifs s ASN 385 Ca 0.05 1.20 -0.06 0.00 -0.71 0.00 0.00 52.86 53.34 3ifs s ASN 385 Cb -0.21 -2.52 0.01 0.00 0.41 0.00 0.00 41.25 38.94 3ifs s ASN 385 CO -0.05 -0.70 0.04 -0.63 -1.51 0.00 0.00 177.10 174.25 3ifs s ILE 386 N 3.25 3.73 0.12 0.60 1.01 0.18 -2.32 121.20 127.78 3ifs s ILE 386 Ca 0.42 -0.71 -0.20 0.00 0.00 0.00 0.00 60.65 60.16 3ifs s ILE 386 Cb -0.14 -2.90 -0.07 0.00 0.01 0.00 0.00 42.46 39.36 3ifs s ILE 386 CO 0.09 0.14 1.77 -0.65 0.00 0.00 0.00 174.94 176.29 3ifs h PRO 387 N 8.18 0.23 -3.04 2.79 0.11 -1.83 0.59 132.00 139.03 3ifs h PRO 387 Ca -0.33 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.80 3ifs h PRO 387 Cb 1.13 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 3ifs h PRO 387 CO 0.60 0.15 0.20 -1.83 -0.21 0.00 0.00 178.00 176.91 3ifs s GLU 388 N -6.18 1.61 -0.76 1.05 -1.05 -1.26 -1.21 118.70 110.90 3ifs s GLU 388 Ca -0.13 -0.84 -0.17 0.00 -0.15 0.00 0.00 54.97 53.67 3ifs s GLU 388 Cb 0.08 0.59 0.14 0.00 -0.44 0.00 0.00 34.13 34.51 3ifs s GLU 388 CO 0.69 -0.73 0.86 -0.51 0.95 0.00 0.00 175.26 176.52 3ifs s LEU 389 N -2.87 5.67 0.23 1.83 1.43 -1.26 -4.77 118.68 118.95 3ifs s LEU 389 Ca 0.08 -1.98 -0.06 0.00 -1.03 0.00 0.00 54.13 51.14 3ifs s LEU 389 Cb -0.04 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 3ifs s LEU 389 CO 0.01 -0.95 0.31 0.54 0.23 0.00 0.00 176.35 176.50 3ifs s ASN 390 N 3.21 0.11 0.17 2.29 2.20 -1.26 -4.94 114.94 116.73 3ifs s ASN 390 Ca 0.20 -1.19 -0.15 0.00 -0.94 0.00 0.00 52.86 50.78 3ifs s ASN 390 Cb -0.14 0.50 0.10 0.00 -2.00 0.00 0.00 41.25 39.71 3ifs s ASN 390 CO -0.03 -1.01 1.76 -0.33 -2.94 0.00 0.00 177.10 174.55 3ifs h GLU 391 N 2.41 0.33 -0.32 3.55 3.07 -1.93 -1.33 114.58 120.36 3ifs h GLU 391 Ca -0.31 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.57 3ifs h GLU 391 Cb 1.25 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 29.05 3ifs h GLU 391 CO 0.44 0.22 0.10 -0.92 -1.40 0.00 0.00 179.01 177.44 3ifs h TYR 392 N 0.34 0.17 -0.70 4.33 5.03 -1.89 -1.05 116.97 123.19 3ifs h TYR 392 Ca 0.19 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.45 3ifs h TYR 392 Cb 0.16 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.39 3ifs h TYR 392 CO -0.14 0.06 0.16 1.15 -1.32 0.00 0.00 178.16 178.07 3ifs h THR 393 N 0.23 1.26 -0.36 1.81 2.02 -1.80 -1.16 112.91 114.90 3ifs h THR 393 Ca 0.15 -0.99 0.02 0.00 0.77 0.00 0.00 66.41 66.36 3ifs h THR 393 Cb 0.13 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 3ifs h THR 393 CO -0.17 0.38 0.20 0.15 0.37 0.00 0.00 175.52 176.46 3ifs h PHE 394 N 1.06 0.38 -0.60 3.16 3.04 -0.84 0.16 116.94 123.30 3ifs h PHE 394 Ca 0.22 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.19 3ifs h PHE 394 Cb 0.39 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.75 3ifs h PHE 394 CO 0.03 0.22 0.39 0.78 -2.02 0.00 0.00 178.31 177.71 3ifs h GLY 395 N 0.42 0.84 1.00 2.40 0.00 -0.87 -0.72 103.07 106.14 3ifs h GLY 395 Ca 0.15 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 3ifs h GLY 395 CO -0.08 0.31 0.05 -1.82 0.00 0.00 0.00 176.54 175.01 3ifs h TYR 396 N 0.81 0.93 -0.38 5.60 5.03 -0.83 -2.70 116.97 125.43 3ifs h TYR 396 Ca 0.22 -0.14 -0.04 0.00 2.58 0.00 0.00 58.73 61.34 3ifs h TYR 396 Cb -0.09 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 37.93 3ifs h TYR 396 CO -0.03 0.85 0.07 1.25 -1.32 0.00 0.00 178.16 178.99 3ifs h LEU 397 N 0.74 0.59 -0.63 2.82 5.85 -0.42 -0.65 115.31 123.62 3ifs h LEU 397 Ca 0.15 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.67 3ifs h LEU 397 Cb 0.45 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 3ifs h LEU 397 CO 0.02 0.69 0.35 0.58 -0.34 0.00 0.00 178.44 179.74 3ifs h VAL 398 N 0.47 0.99 -0.52 1.05 2.07 -1.10 -1.96 116.25 117.25 3ifs h VAL 398 Ca 0.12 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 3ifs h VAL 398 Cb 0.34 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3ifs h VAL 398 CO 0.01 0.12 -0.13 0.22 0.02 0.00 0.00 177.57 177.81 3ifs h TYR 399 N 0.66 1.12 -0.19 1.57 5.03 -1.20 -0.55 116.97 123.42 3ifs h TYR 399 Ca 0.27 -0.24 0.05 0.00 2.58 0.00 0.00 58.73 61.39 3ifs h TYR 399 Cb 0.14 -0.27 -0.06 0.00 1.55 0.00 0.00 36.73 38.08 3ifs h TYR 399 CO -0.08 1.06 -0.21 0.35 -1.32 0.00 0.00 178.16 177.96 3ifs h PHE 400 N 0.87 -0.56 -0.28 -3.82 3.57 -0.83 -0.71 116.94 115.19 3ifs h PHE 400 Ca 0.13 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 3ifs h PHE 400 Cb 0.69 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 3ifs h PHE 400 CO 0.05 -0.29 -0.34 0.74 -2.23 0.00 0.00 178.31 176.24 3ifs h PHE 401 N -0.24 0.70 -0.38 0.41 0.04 -1.09 -1.36 116.94 115.02 3ifs h PHE 401 Ca 0.12 -0.18 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 3ifs h PHE 401 Cb 0.42 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 3ifs h PHE 401 CO -0.35 0.86 0.12 0.93 -0.60 0.00 0.00 178.31 179.27 3ifs h GLU 402 N 0.51 0.60 -0.30 1.51 5.08 -0.77 0.74 114.58 121.95 3ifs h GLU 402 Ca 0.06 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 3ifs h GLU 402 Cb 0.83 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3ifs h GLU 402 CO 0.07 0.61 -0.42 -0.22 -1.00 0.00 0.00 179.01 178.05 3ifs h LYS 403 N 0.47 0.75 -0.57 2.33 1.63 -1.12 -1.97 116.57 118.09 3ifs h LYS 403 Ca 0.12 -0.40 -0.08 0.00 -0.85 0.00 0.00 60.65 59.44 3ifs h LYS 403 Cb 0.26 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 3ifs h LYS 403 CO -0.00 1.02 0.02 0.00 -3.45 0.00 0.00 179.45 177.04 3ifs h ALA 404 N 0.92 0.96 -0.45 5.00 0.00 -1.10 -3.06 119.26 121.53 3ifs h ALA 404 Ca 0.04 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3ifs h ALA 404 Cb 0.97 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3ifs h ALA 404 CO 0.09 0.63 0.13 0.00 0.00 0.00 0.00 179.25 180.10 3ifs n ALA 406 N -2.36 0.99 0.00 0.00 0.00 -0.77 -1.26 120.51 117.12 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 0.20 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.15 0.00 -0.12 0.00 2.88 0.06 -2.03 113.62 114.56 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 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.58 1.26 0.46 0.00 -1.43 -0.97 103.07 102.96 3ifs h GLY 409 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 3ifs h GLY 409 CO 0.00 0.26 0.18 -0.97 0.00 0.00 0.00 176.54 176.01 3ifs h TYR 410 N 0.49 0.96 -0.11 5.60 0.05 -1.59 -1.97 116.97 120.39 3ifs h TYR 410 Ca 0.13 -0.08 -0.11 0.00 0.05 0.00 0.00 58.73 58.72 3ifs h TYR 410 Cb 0.07 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.52 3ifs h TYR 410 CO -0.02 0.78 -0.41 -0.07 -1.05 0.00 0.00 178.16 177.39 3ifs h LEU 411 N 0.90 0.26 -1.14 3.88 3.38 -1.76 -2.63 115.31 118.20 3ifs h LEU 411 Ca 0.20 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3ifs h LEU 411 Cb 0.28 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3ifs h LEU 411 CO -0.01 0.65 -0.33 0.25 0.09 0.00 0.00 178.44 179.09 3ifs h LEU 412 N 0.21 0.00 0.00 1.67 5.85 -0.77 -3.47 115.31 118.80 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 0.81 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3ifs h LEU 412 CO 0.06 0.33 0.00 0.61 -0.34 0.00 0.00 178.44 179.10 3ifs n GLY 413 N -0.00 1.43 3.69 3.75 0.00 -0.80 -5.10 105.19 108.17 3ifs n GLY 413 Ca -0.01 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 1.70 -0.47 1.61 -7.23 -0.87 -5.04 120.40 108.11 3ifs s VAL 414 Ca 0.00 -1.96 -0.23 0.00 -1.81 0.00 0.00 61.98 57.98 3ifs s VAL 414 Cb 0.00 -2.66 0.03 0.00 0.56 0.00 0.00 36.38 34.31 3ifs s VAL 414 CO 0.00 0.00 0.82 0.21 -0.31 0.00 0.00 175.10 175.82 3ifs s ASN 415 N -3.81 6.41 0.00 4.85 3.84 -1.26 -4.27 114.94 120.70 3ifs s ASN 415 Ca 0.25 -0.13 0.23 0.00 0.21 0.00 0.00 52.86 53.42 3ifs s ASN 415 Cb 0.06 -2.40 1.08 0.00 -0.55 0.00 0.00 41.25 39.44 3ifs s ASN 415 CO 0.13 -0.98 1.75 -2.65 -2.79 0.00 0.00 177.10 172.57 3ifs n PRO 416 N 6.87 0.16 -0.05 0.43 -0.02 -1.26 -3.97 135.00 137.15 3ifs n PRO 416 Ca 0.03 0.09 0.04 0.00 -2.02 0.00 0.00 63.50 61.63 3ifs n PRO 416 Cb 0.48 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.52 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 -1.40 0.14 -3.54 6.00 3.72 -1.26 -4.39 117.46 116.73 3ifs n PHE 417 Ca 0.08 -0.22 -0.23 0.00 -0.05 0.00 0.00 57.45 57.03 3ifs n PHE 417 Cb 0.23 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 38.76 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 -0.79 4.90 -0.41 4.37 -4.77 -1.25 -4.97 116.67 113.75 3ifs s ASP 418 Ca 0.12 -0.98 0.09 0.00 -3.30 0.00 0.00 52.55 48.48 3ifs s ASP 418 Cb 0.07 0.09 0.35 0.00 -1.09 0.00 0.00 42.92 42.34 3ifs s ASP 418 CO 0.10 -1.04 1.05 0.00 0.70 0.00 0.00 175.17 175.98 3ifs n GLN 419 N -1.84 1.05 0.30 2.11 0.00 -1.26 -4.76 117.38 112.98 3ifs n GLN 419 Ca 0.05 -2.40 0.18 0.00 0.00 0.00 0.00 57.00 54.83 3ifs n GLN 419 Cb 0.63 -1.04 0.97 0.00 0.00 0.00 0.00 30.24 30.79 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 2.82 0.00 0.00 2.61 0.13 -1.98 -3.05 132.00 132.53 3ifs h PRO 420 Ca -0.08 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 3ifs h PRO 420 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 3ifs h PRO 420 CO 0.22 0.03 -0.13 0.78 -0.23 0.00 0.00 178.00 178.67 3ifs h GLY 421 N 0.54 0.00 2.00 1.56 0.00 -1.94 -3.17 103.07 102.06 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 -0.39 0.00 0.00 0.00 176.54 176.15 3ifs h VAL 422 N 0.00 0.00 -0.22 4.60 -1.51 -1.98 -3.25 116.25 113.88 3ifs h VAL 422 Ca -0.00 -0.42 -0.05 0.00 -1.23 0.00 0.00 66.70 64.99 3ifs h VAL 422 Cb 0.58 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 3ifs h VAL 422 CO 0.02 0.00 -0.10 -0.33 -1.23 0.00 0.00 177.57 175.92 3ifs h GLU 423 N 0.00 0.35 0.48 5.19 4.39 -1.78 -3.17 114.58 120.04 3ifs h GLU 423 Ca 0.00 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 3ifs h GLU 423 Cb 0.56 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3ifs h GLU 423 CO 0.00 0.46 -0.27 0.00 -1.16 0.00 0.00 179.01 178.04 3ifs h ALA 424 N 1.57 -0.71 -0.35 3.43 0.00 -1.80 -0.45 119.26 120.95 3ifs h ALA 424 Ca 0.07 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3ifs h ALA 424 Cb 0.39 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3ifs h ALA 424 CO 0.02 -0.91 -0.10 0.10 0.00 0.00 0.00 179.25 178.36 3ifs h TYR 425 N -0.71 0.65 -0.09 0.00 -0.00 -1.80 -2.54 116.97 112.47 3ifs h TYR 425 Ca -0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 58.73 58.57 3ifs h TYR 425 Cb 0.57 -0.17 -0.00 0.00 0.00 0.00 0.00 36.73 37.12 3ifs h TYR 425 CO -0.08 0.69 0.05 0.87 -0.00 0.00 0.00 178.16 179.69 3ifs h LYS 426 N 0.55 0.13 -0.97 0.10 1.57 -1.45 -2.73 116.57 113.77 3ifs h LYS 426 Ca 0.10 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3ifs h LYS 426 Cb 0.51 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 3ifs h LYS 426 CO 0.03 0.18 0.63 -0.22 -0.57 0.00 0.00 179.45 179.50 3ifs h LYS 427 N 0.05 1.19 -0.86 3.15 3.64 -0.99 0.69 116.57 123.45 3ifs h LYS 427 Ca 0.03 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3ifs h LYS 427 Cb 0.09 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3ifs h LYS 427 CO -0.00 0.79 0.00 0.09 -2.27 0.00 0.00 179.45 178.06 3ifs n ASN 428 N -4.46 0.58 0.00 4.20 3.02 -0.97 -1.67 115.26 115.97 3ifs n ASN 428 Ca 0.13 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 3ifs n ASN 428 Cb 0.09 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 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 0.54 0.00 0.20 3.10 3.72 0.24 -1.50 117.46 123.75 3ifs n PHE 430 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 3ifs n PHE 430 Cb 0.11 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.58 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 -0.46 0.00 4.37 0.00 -1.57 -1.05 119.26 120.55 3ifs h ALA 431 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3ifs h ALA 431 Cb 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ifs h ALA 431 CO 0.00 -0.77 -0.18 -0.07 0.00 0.00 0.00 179.25 178.23 3ifs h LEU 432 N -0.47 0.00 -0.81 0.00 3.38 -1.54 -1.33 115.31 114.53 3ifs h LEU 432 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ifs h LEU 432 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3ifs h LEU 432 CO 0.05 0.18 0.00 -0.07 0.09 0.00 0.00 178.44 178.70 3ifs h LEU 433 N 0.00 0.00 0.00 1.67 3.38 -1.77 -3.47 115.31 115.13 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 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3ifs h LEU 433 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3ifs n GLY 434 N 0.46 0.86 3.72 0.83 0.00 -0.50 -5.03 105.19 105.53 3ifs n GLY 434 Ca 0.02 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.08 4.27 0.28 1.61 2.20 -0.43 -4.91 119.74 120.68 3ifs s LYS 435 Ca 0.00 2.24 -0.29 0.00 -0.36 0.00 0.00 55.97 57.56 3ifs s LYS 435 Cb 0.00 -3.18 -0.13 0.00 -1.51 0.00 0.00 37.83 33.01 3ifs s LYS 435 CO 0.00 -0.50 1.27 -2.30 -0.36 0.00 0.00 175.35 173.46 3ifs n PRO 436 N 3.58 1.88 -0.02 4.03 -0.02 -1.26 -2.36 135.00 140.84 3ifs n PRO 436 Ca 0.11 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3ifs n PRO 436 Cb 0.40 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 1.42 0.44 0.33 -1.23 0.00 -1.26 -4.91 105.19 99.99 3ifs n GLY 437 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 0.29 -0.26 1.61 3.01 -0.99 -4.83 117.46 114.29 3ifs n PHE 438 Ca 0.00 -0.95 -0.01 0.00 1.01 0.00 0.00 57.45 57.50 3ifs n PHE 438 Cb 0.00 -0.20 0.11 0.00 -0.01 0.00 0.00 39.48 39.38 3ifs n PHE 438 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3ifs h GLU 439 N 0.57 0.77 -0.32 -1.08 3.07 -1.90 -2.41 114.58 113.28 3ifs h GLU 439 Ca 0.00 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 3ifs h GLU 439 Cb 1.12 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 3ifs h GLU 439 CO 0.07 0.51 0.16 1.49 -1.40 0.00 0.00 179.01 179.84 3ifs h GLU 440 N 0.79 0.46 -0.18 2.33 4.81 -1.98 -2.27 114.58 118.54 3ifs h GLU 440 Ca 0.32 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 3ifs h GLU 440 Cb 0.15 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3ifs h GLU 440 CO -0.17 0.41 -0.02 1.25 -0.73 0.00 0.00 179.01 179.75 3ifs h LEU 441 N 0.39 0.24 -0.27 1.64 5.85 -1.91 -2.72 115.31 118.53 3ifs h LEU 441 Ca 0.11 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ifs h LEU 441 Cb 0.10 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3ifs h LEU 441 CO -0.02 0.31 0.15 0.50 -0.34 0.00 0.00 178.44 179.05 3ifs h LYS 442 N 0.26 0.37 -0.73 1.25 3.64 -0.90 -1.13 116.57 119.33 3ifs h LYS 442 Ca 0.06 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 3ifs h LYS 442 Cb 0.22 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3ifs h LYS 442 CO 0.01 0.31 0.23 0.00 -2.27 0.00 0.00 179.45 177.73 3ifs h ALA 443 N 1.04 0.96 -0.17 5.00 0.00 -1.25 -0.74 119.26 124.10 3ifs h ALA 443 Ca 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ifs h ALA 443 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3ifs h ALA 443 CO -0.02 0.64 0.09 1.49 0.00 0.00 0.00 179.25 181.45 3ifs h GLU 444 N 1.08 0.24 -0.27 0.00 4.81 -1.25 -1.93 114.58 117.26 3ifs h GLU 444 Ca 0.24 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.27 3ifs h GLU 444 Cb 0.30 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 3ifs h GLU 444 CO -0.01 0.25 -0.49 -0.07 -0.73 0.00 0.00 179.01 177.97 3ifs h LEU 445 N 0.16 0.79 -1.19 1.64 3.38 -1.08 -2.55 115.31 116.46 3ifs h LEU 445 Ca 0.06 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 3ifs h LEU 445 Cb 0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3ifs h LEU 445 CO -0.01 1.15 0.10 -0.33 0.09 0.00 0.00 178.44 179.44 3ifs h GLU 446 N 0.57 0.67 -0.56 1.13 5.08 -1.10 -0.65 114.58 119.72 3ifs h GLU 446 Ca 0.03 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 3ifs h GLU 446 Cb 1.06 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 3ifs h GLU 446 CO 0.10 0.61 -0.00 1.49 -1.00 0.00 0.00 179.01 180.21 3ifs h GLU 447 N 0.65 0.96 -0.33 2.33 4.57 -1.18 0.39 114.58 121.98 3ifs h GLU 447 Ca 0.15 -0.29 -0.07 0.00 -1.18 0.00 0.00 59.36 57.97 3ifs h GLU 447 Cb 0.25 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 3ifs h GLU 447 CO -0.00 0.95 -0.10 0.00 -1.18 0.00 0.00 179.01 178.68 3ifs h ARG 448 N 0.89 0.55 0.00 1.92 3.08 -0.95 -2.91 114.38 116.95 3ifs h ARG 448 Ca 0.16 -0.15 -0.21 0.00 0.07 0.00 0.00 59.98 59.85 3ifs h ARG 448 Cb 0.52 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3ifs h ARG 448 CO 0.03 0.65 -1.06 -0.07 -1.07 0.00 0.00 179.97 178.44 3ifs h LEU 449 N 0.51 0.00 0.00 3.04 3.38 -0.69 -3.51 115.31 118.04 3ifs h LEU 449 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ifs h LEU 449 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3ifs h LEU 449 CO 0.03 0.90 0.00 1.17 0.09 0.00 0.00 178.44 180.63