#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mfs n ASP 5 N 0.00 -8.37 0.00 1.67 4.64 -1.26 -5.02 116.55 108.21 3mfs n ASP 5 Ca 0.00 0.66 0.00 0.00 -1.38 0.00 0.00 54.79 54.07 3mfs n ASP 5 Cb 0.00 -4.35 0.00 0.00 -1.04 0.00 0.00 41.12 35.73 3mfs n ASP 5 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 3mfs n VAL 6 N -4.16 0.00 0.00 5.18 0.31 -1.26 -5.17 118.33 113.23 3mfs n VAL 6 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3mfs n VAL 6 Cb 0.67 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.60 3mfs n VAL 6 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3mfs n LEU 7 N 0.00 0.00 -0.17 7.52 0.00 -1.26 -5.01 117.00 118.07 3mfs n LEU 7 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.00 3mfs n LEU 7 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 43.42 43.49 3mfs n LEU 7 CO 0.00 0.00 0.84 0.15 0.00 0.00 0.00 177.39 178.38 3mfs h PHE 8 N 0.00 -0.03 0.00 1.96 3.57 -1.96 -2.35 116.94 118.14 3mfs h PHE 8 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3mfs h PHE 8 Cb 0.00 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.83 3mfs h PHE 8 CO 0.00 -0.12 0.00 0.39 -2.23 0.00 0.00 178.31 176.35 3mfs n GLU 9 N -5.24 0.33 0.04 1.11 1.02 -1.26 -1.64 120.64 114.99 3mfs n GLU 9 Ca 0.06 0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.19 3mfs n GLU 9 Cb 0.29 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.27 3mfs n GLU 9 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3mfs h ASP 10 N 0.00 0.49 0.18 1.62 3.32 -1.81 -3.35 116.42 116.87 3mfs h ASP 10 Ca 0.00 -0.29 -0.36 0.00 0.02 0.00 0.00 57.03 56.40 3mfs h ASP 10 Cb 0.21 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3mfs h ASP 10 CO 0.00 1.00 -1.99 0.52 -1.72 0.00 0.00 179.24 177.06 3mfs n VAL 11 N -3.89 1.73 -4.63 -1.35 0.31 -0.79 -4.88 118.33 104.83 3mfs n VAL 11 Ca -0.04 -0.68 -0.27 0.00 -0.01 0.00 0.00 64.34 63.35 3mfs n VAL 11 Cb 0.65 -1.58 -0.14 0.00 -0.91 0.00 0.00 33.84 31.86 3mfs n VAL 11 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3mfs s TYR 12 N -2.56 2.02 -0.14 3.52 2.02 -0.65 -1.23 117.35 120.33 3mfs s TYR 12 Ca -0.20 -0.39 -0.18 0.00 -0.37 0.00 0.00 57.07 55.93 3mfs s TYR 12 Cb 0.07 -1.18 -0.04 0.00 -0.40 0.00 0.00 41.96 40.41 3mfs s TYR 12 CO 0.77 0.15 0.48 -2.00 -1.57 0.00 0.00 175.55 173.38 3mfs s GLU 13 N -1.42 4.29 0.15 -0.62 2.12 0.34 -4.25 118.70 119.32 3mfs s GLU 13 Ca 0.09 0.42 -0.30 0.00 0.36 0.00 0.00 54.97 55.55 3mfs s GLU 13 Cb -0.09 -3.47 -0.07 0.00 0.26 0.00 0.00 34.13 30.75 3mfs s GLU 13 CO 0.03 0.07 1.13 -0.51 -0.54 0.00 0.00 175.26 175.44 3mfs s LEU 14 N 0.92 4.46 0.00 2.70 1.43 -1.26 -1.12 118.68 125.80 3mfs s LEU 14 Ca 0.25 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 3mfs s LEU 14 Cb -0.15 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.47 3mfs s LEU 14 CO 0.10 -0.29 0.00 0.00 0.23 0.00 0.00 176.35 176.39 3mfs s GLU 16 N 1.30 2.89 0.10 0.00 8.01 -1.26 -4.46 118.70 125.29 3mfs s GLU 16 Ca 0.00 2.06 -0.31 0.00 0.01 0.00 0.00 54.97 56.73 3mfs s GLU 16 Cb 0.00 -2.03 -0.08 0.00 -4.31 0.00 0.00 34.13 27.71 3mfs s GLU 16 CO 0.00 -1.33 1.47 0.08 0.01 0.00 0.00 175.26 175.49 3mfs s VAL 17 N -1.41 3.19 -0.21 2.63 1.01 -1.26 -1.26 120.40 123.08 3mfs s VAL 17 Ca 0.77 0.79 -0.13 0.00 0.00 0.00 0.00 61.98 63.41 3mfs s VAL 17 Cb -0.37 -3.50 -0.19 0.00 0.00 0.00 0.00 36.38 32.32 3mfs s VAL 17 CO 0.41 0.04 0.03 -0.38 0.00 0.00 0.00 175.10 175.20 3mfs n ILE 18 N 4.21 1.58 -3.90 2.22 5.41 0.54 -4.91 119.36 124.50 3mfs n ILE 18 Ca 0.13 -0.34 -0.08 0.00 1.00 0.00 0.00 62.75 63.46 3mfs n ILE 18 Cb 0.41 -1.84 -0.03 0.00 -0.71 0.00 0.00 39.64 37.47 3mfs n ILE 18 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3mfs s GLY 19 N -5.44 0.10 0.17 7.39 0.00 -1.09 -5.04 107.32 103.42 3mfs s GLY 19 Ca -0.31 -0.48 0.10 0.00 0.00 0.00 0.00 44.72 44.03 3mfs s GLY 19 CO 0.61 -0.25 -0.17 0.54 0.00 0.00 0.00 173.10 173.82 3mfs s LYS 20 N -3.95 1.77 0.00 2.90 1.02 -1.26 -0.73 119.74 119.49 3mfs s LYS 20 Ca 0.14 -1.35 0.00 0.00 0.02 0.00 0.00 55.97 54.78 3mfs s LYS 20 Cb -0.04 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 3mfs s LYS 20 CO 0.08 0.43 0.00 0.41 -0.92 0.00 0.00 175.35 175.35 3mfs n GLY 21 N 0.32 6.10 0.05 -3.33 0.00 0.33 -4.94 105.19 103.72 3mfs n GLY 21 Ca -0.13 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.68 3mfs n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mfs h ALA 22 N 0.80 0.00 0.00 4.61 0.00 -2.01 -3.34 119.26 119.33 3mfs h ALA 22 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3mfs h ALA 22 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3mfs h ALA 22 CO 0.00 -0.37 -0.09 1.19 0.00 0.00 0.00 179.25 179.99 3mfs n PHE 23 N -4.96 0.00 -4.32 0.00 3.72 -1.26 -5.07 117.46 105.57 3mfs n PHE 23 Ca -0.08 -0.48 -0.22 0.00 -0.05 0.00 0.00 57.45 56.63 3mfs n PHE 23 Cb 0.15 -0.07 -0.11 0.00 -0.94 0.00 0.00 39.48 38.50 3mfs n PHE 23 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3mfs s SER 24 N -1.41 2.61 -0.06 4.37 1.04 -1.25 -2.07 113.70 116.92 3mfs s SER 24 Ca 0.10 -0.84 0.04 0.00 0.48 0.00 0.00 55.95 55.73 3mfs s SER 24 Cb 0.09 -0.15 -0.00 0.00 0.10 0.00 0.00 66.02 66.06 3mfs s SER 24 CO 0.01 -0.04 -0.19 0.54 0.98 0.00 0.00 173.24 174.54 3mfs s VAL 25 N -1.99 1.60 -0.21 5.02 0.11 -0.52 -0.51 120.40 123.90 3mfs s VAL 25 Ca 0.14 -0.79 -0.08 0.00 -2.93 0.00 0.00 61.98 58.32 3mfs s VAL 25 Cb -0.06 -1.39 -0.04 0.00 -1.53 0.00 0.00 36.38 33.36 3mfs s VAL 25 CO 0.06 0.46 0.09 -0.69 -3.33 0.00 0.00 175.10 171.69 3mfs s VAL 26 N 0.16 4.91 0.03 2.04 1.01 0.09 -0.55 120.40 128.09 3mfs s VAL 26 Ca -0.08 0.01 0.04 0.00 0.00 0.00 0.00 61.98 61.95 3mfs s VAL 26 Cb -0.14 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 3mfs s VAL 26 CO 0.04 0.41 -0.12 -0.13 0.00 0.00 0.00 175.10 175.30 3mfs s ARG 27 N 0.70 0.84 0.35 2.72 0.52 0.60 -0.34 118.95 124.34 3mfs s ARG 27 Ca 0.05 -0.66 -0.28 0.00 -0.52 0.00 0.00 55.73 54.32 3mfs s ARG 27 Cb -0.13 -0.81 -0.10 0.00 0.52 0.00 0.00 34.95 34.44 3mfs s ARG 27 CO 0.02 0.20 1.27 0.50 0.02 0.00 0.00 175.30 177.31 3mfs s ARG 28 N -0.98 4.26 0.06 3.54 3.52 -0.39 0.20 118.95 129.15 3mfs s ARG 28 Ca 0.01 2.12 -0.02 0.00 -0.13 0.00 0.00 55.73 57.70 3mfs s ARG 28 Cb -0.07 -2.97 -0.03 0.00 -1.56 0.00 0.00 34.95 30.32 3mfs s ARG 28 CO 0.01 -0.23 0.01 0.00 -0.81 0.00 0.00 175.30 174.28 3mfs s ILE 30 N -3.79 1.73 -0.01 0.00 1.01 -0.28 -0.20 121.20 119.66 3mfs s ILE 30 Ca 0.06 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 59.58 3mfs s ILE 30 Cb 0.07 -1.52 -0.06 0.00 0.01 0.00 0.00 42.46 40.96 3mfs s ILE 30 CO -0.10 0.49 1.63 0.21 0.00 0.00 0.00 174.94 177.17 3mfs s ASN 31 N 0.50 6.67 0.30 3.58 3.84 -0.48 -0.50 114.94 128.84 3mfs s ASN 31 Ca -0.16 2.30 -0.01 0.00 0.21 0.00 0.00 52.86 55.20 3mfs s ASN 31 Cb -0.17 -2.55 0.46 0.00 -0.55 0.00 0.00 41.25 38.45 3mfs s ASN 31 CO 0.06 -0.89 1.95 0.03 -2.79 0.00 0.00 177.10 175.46 3mfs h ARG 32 N 8.98 1.01 0.41 0.43 3.08 -1.51 0.45 114.38 127.22 3mfs h ARG 32 Ca -0.40 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.54 3mfs h ARG 32 Cb 1.19 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.03 3mfs h ARG 32 CO 0.94 0.70 -0.20 0.93 -1.07 0.00 0.00 179.97 181.28 3mfs h GLU 33 N 1.02 -0.53 0.00 0.04 4.39 -1.91 -3.37 114.58 114.22 3mfs h GLU 33 Ca 0.27 0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.84 3mfs h GLU 33 Cb -0.04 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 3mfs h GLU 33 CO -0.05 -0.24 -1.25 1.79 -1.16 0.00 0.00 179.01 178.10 3mfs h THR 34 N -1.01 0.64 0.00 1.13 1.35 -1.94 -3.48 112.91 109.60 3mfs h THR 34 Ca -0.06 -2.14 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 3mfs h THR 34 Cb 0.54 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 3mfs h THR 34 CO 0.09 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 176.34 3mfs n GLY 35 N 1.37 0.61 3.84 5.82 0.00 0.16 -5.02 105.19 111.96 3mfs n GLY 35 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 3mfs n GLY 35 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mfs s GLN 36 N -0.18 4.08 0.13 1.61 -2.07 -1.26 -4.73 119.66 117.25 3mfs s GLN 36 Ca 0.00 0.88 -0.18 0.00 -1.82 0.00 0.00 55.36 54.25 3mfs s GLN 36 Cb 0.00 -2.29 -0.07 0.00 -1.09 0.00 0.00 33.01 29.56 3mfs s GLN 36 CO 0.00 0.02 0.60 -0.65 -1.32 0.00 0.00 175.29 173.93 3mfs s GLN 37 N -3.25 4.15 0.25 9.60 -0.21 -1.26 -1.39 119.66 127.56 3mfs s GLN 37 Ca 0.58 0.69 0.01 0.00 0.02 0.00 0.00 55.36 56.66 3mfs s GLN 37 Cb -0.10 -3.07 -0.04 0.00 1.00 0.00 0.00 33.01 30.80 3mfs s GLN 37 CO 0.18 0.54 0.13 -0.06 -2.12 0.00 0.00 175.29 173.96 3mfs s PHE 38 N -1.31 1.42 -0.10 0.91 0.08 0.72 -4.29 117.98 115.41 3mfs s PHE 38 Ca 0.35 -1.32 0.02 0.00 0.12 0.00 0.00 56.93 56.09 3mfs s PHE 38 Cb -0.18 -0.75 -0.02 0.00 -0.57 0.00 0.00 43.02 41.51 3mfs s PHE 38 CO 0.20 -0.52 -0.14 0.00 -0.10 0.00 0.00 175.22 174.65 3mfs s ALA 39 N -3.86 2.60 -0.15 5.36 0.00 -0.66 -1.12 121.76 123.93 3mfs s ALA 39 Ca 0.38 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 3mfs s ALA 39 Cb 0.07 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 3mfs s ALA 39 CO 0.15 0.36 -0.11 0.54 0.00 0.00 0.00 175.76 176.70 3mfs s VAL 40 N -0.04 3.18 -0.29 0.00 0.11 0.13 0.07 120.40 123.57 3mfs s VAL 40 Ca -0.03 -0.60 -0.13 0.00 -2.93 0.00 0.00 61.98 58.29 3mfs s VAL 40 Cb -0.14 -2.36 -0.04 0.00 -1.53 0.00 0.00 36.38 32.30 3mfs s VAL 40 CO 0.04 0.50 0.26 -0.75 -3.33 0.00 0.00 175.10 171.82 3mfs s LYS 41 N 0.56 3.91 -0.24 1.54 2.20 0.73 -0.30 119.74 128.14 3mfs s LYS 41 Ca -0.07 -0.24 -0.04 0.00 -0.36 0.00 0.00 55.97 55.26 3mfs s LYS 41 Cb -0.15 -3.68 -0.00 0.00 -1.51 0.00 0.00 37.83 32.48 3mfs s LYS 41 CO 0.03 -0.25 -0.02 0.42 -0.36 0.00 0.00 175.35 175.18 3mfs s ILE 42 N 1.87 3.48 -0.15 5.43 1.01 0.29 -0.06 121.20 133.06 3mfs s ILE 42 Ca 0.10 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 3mfs s ILE 42 Cb -0.16 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 3mfs s ILE 42 CO 0.11 0.34 -0.08 -0.69 0.00 0.00 0.00 174.94 174.61 3mfs s VAL 43 N 1.47 3.41 -0.63 2.92 1.01 0.23 -1.44 120.40 127.36 3mfs s VAL 43 Ca 0.05 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.23 3mfs s VAL 43 Cb -0.15 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.76 3mfs s VAL 43 CO -0.02 0.50 1.55 -0.62 0.00 0.00 0.00 175.10 176.51 3mfs s ASP 44 N 0.53 5.80 0.15 3.32 3.68 -0.88 -0.93 116.67 128.35 3mfs s ASP 44 Ca -0.06 0.09 -0.16 0.00 2.13 0.00 0.00 52.55 54.55 3mfs s ASP 44 Cb -0.15 -2.54 0.05 0.00 -1.45 0.00 0.00 42.92 38.83 3mfs s ASP 44 CO 0.03 -2.01 1.76 0.58 0.13 0.00 0.00 175.17 175.67 3mfs h VAL 45 N 6.47 0.93 0.41 1.11 2.07 -1.65 -1.53 116.25 124.07 3mfs h VAL 45 Ca -0.27 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 3mfs h VAL 45 Cb 1.11 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3mfs h VAL 45 CO 1.22 0.06 -0.20 0.00 0.02 0.00 0.00 177.57 178.67 3mfs h ALA 46 N 1.21 -0.56 -0.94 1.67 0.00 -1.90 -0.94 119.26 117.80 3mfs h ALA 46 Ca 0.16 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.03 3mfs h ALA 46 Cb 0.11 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 3mfs h ALA 46 CO -0.14 -0.78 0.58 0.87 0.00 0.00 0.00 179.25 179.78 3mfs h LYS 47 N -0.63 0.92 -0.21 0.00 1.57 -1.84 0.37 116.57 116.75 3mfs h LYS 47 Ca -0.06 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 3mfs h LYS 47 Cb 0.47 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3mfs h LYS 47 CO 0.09 0.61 0.02 0.35 -0.57 0.00 0.00 179.45 179.95 3mfs h PHE 48 N 0.95 0.39 -0.15 -1.35 3.57 -1.16 -3.28 116.94 115.90 3mfs h PHE 48 Ca 0.46 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.80 3mfs h PHE 48 Cb 0.41 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.04 3mfs h PHE 48 CO -0.02 0.52 -0.27 1.15 -2.23 0.00 0.00 178.31 177.46 3mfs h THR 49 N 0.14 1.36 -0.03 4.41 2.02 -0.66 -3.31 112.91 116.84 3mfs h THR 49 Ca 0.06 -1.51 -0.70 0.00 0.77 0.00 0.00 66.41 65.03 3mfs h THR 49 Cb 0.35 1.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 3mfs h THR 49 CO 0.01 0.45 3.03 -1.20 0.37 0.00 0.00 175.52 178.17 3mfs n SER 50 N -4.42 3.78 -2.71 4.18 7.64 0.13 -4.51 113.62 117.70 3mfs n SER 50 Ca -0.06 -2.83 -0.04 0.00 1.01 0.00 0.00 58.87 56.95 3mfs n SER 50 Cb 0.45 -1.61 0.03 0.00 -1.01 0.00 0.00 64.21 62.06 3mfs n SER 50 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3mfs n SER 51 N 6.33 -2.38 -1.80 6.43 2.88 -1.25 -4.77 113.62 119.06 3mfs n SER 51 Ca 0.52 -1.91 -0.22 0.00 -1.33 0.00 0.00 58.87 55.93 3mfs n SER 51 Cb 0.39 1.22 -0.02 0.00 -0.75 0.00 0.00 64.21 65.05 3mfs n SER 51 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3mfs n PRO 52 N 2.68 0.00 0.00 -1.46 -0.02 -1.26 -2.52 135.00 132.42 3mfs n PRO 52 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3mfs n PRO 52 Cb 0.61 -0.52 0.00 0.00 -0.02 0.00 0.00 33.50 33.57 3mfs n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mfs n GLY 53 N 0.70 2.44 3.27 -1.23 0.00 -1.26 -5.04 105.19 104.06 3mfs n GLY 53 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3mfs n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mfs s LEU 54 N 0.00 2.28 0.00 0.99 1.43 -1.05 -5.05 118.68 117.28 3mfs s LEU 54 Ca 0.00 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3mfs s LEU 54 Cb 0.00 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.76 3mfs s LEU 54 CO 0.00 0.18 0.00 -1.54 0.23 0.00 0.00 176.35 175.22 3mfs n SER 55 N 3.41 1.41 0.06 2.29 3.41 -1.26 -4.51 113.62 118.43 3mfs n SER 55 Ca -0.19 -0.49 -0.11 0.00 -0.26 0.00 0.00 58.87 57.82 3mfs n SER 55 Cb 0.53 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 3mfs n SER 55 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3mfs h THR 56 N 0.49 1.40 -0.86 6.66 2.02 -1.95 -3.25 112.91 117.42 3mfs h THR 56 Ca 0.00 -2.33 0.20 0.00 0.77 0.00 0.00 66.41 65.05 3mfs h THR 56 Cb 0.00 2.29 -0.12 0.00 -1.74 0.00 0.00 68.15 68.58 3mfs h THR 56 CO 0.00 0.70 0.35 -0.08 0.37 0.00 0.00 175.52 176.86 3mfs h GLU 57 N 0.24 0.37 -0.91 6.66 4.57 -1.97 0.16 114.58 123.71 3mfs h GLU 57 Ca -0.06 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 3mfs h GLU 57 Cb 1.46 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.92 3mfs h GLU 57 CO 0.14 0.25 0.51 -0.44 -1.18 0.00 0.00 179.01 178.29 3mfs h ASP 58 N 0.38 1.13 -0.15 1.04 5.19 -1.96 0.27 116.42 122.31 3mfs h ASP 58 Ca 0.53 -0.09 -0.21 0.00 -0.62 0.00 0.00 57.03 56.63 3mfs h ASP 58 Cb 0.97 -0.29 0.01 0.00 0.18 0.00 0.00 39.33 40.20 3mfs h ASP 58 CO -0.52 0.89 -0.72 -0.07 -3.12 0.00 0.00 179.24 175.70 3mfs h LEU 59 N 1.27 0.92 -0.53 1.55 3.38 -1.33 -3.02 115.31 117.56 3mfs h LEU 59 Ca 0.32 -0.58 -0.16 0.00 0.09 0.00 0.00 57.88 57.56 3mfs h LEU 59 Cb 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3mfs h LEU 59 CO -0.05 1.37 -0.52 0.50 0.09 0.00 0.00 178.44 179.83 3mfs h LYS 60 N 0.56 0.59 -0.12 1.13 3.64 -0.44 -2.29 116.57 119.63 3mfs h LYS 60 Ca -0.03 -0.36 -0.16 0.00 -1.27 0.00 0.00 60.65 58.83 3mfs h LYS 60 Cb 1.34 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.19 3mfs h LYS 60 CO 0.15 0.96 -0.61 0.07 -2.27 0.00 0.00 179.45 177.75 3mfs h ARG 61 N 0.46 0.42 -0.04 1.90 0.11 -0.57 -1.67 114.38 114.99 3mfs h ARG 61 Ca 0.02 -0.29 -0.00 0.00 0.10 0.00 0.00 59.98 59.80 3mfs h ARG 61 Cb 1.06 0.04 -0.00 0.00 1.11 0.00 0.00 29.97 32.18 3mfs h ARG 61 CO 0.10 0.90 0.01 1.49 0.10 0.00 0.00 179.97 182.58 3mfs h GLU 62 N 0.31 0.05 -0.64 0.08 4.81 -1.41 -0.16 114.58 117.63 3mfs h GLU 62 Ca -0.01 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3mfs h GLU 62 Cb 1.15 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 3mfs h GLU 62 CO 0.11 0.20 0.27 0.00 -0.73 0.00 0.00 179.01 178.86 3mfs h ALA 63 N 0.85 1.27 -0.18 2.92 0.00 -1.45 0.46 119.26 123.12 3mfs h ALA 63 Ca 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3mfs h ALA 63 Cb 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3mfs h ALA 63 CO -0.00 0.55 0.11 0.77 0.00 0.00 0.00 179.25 180.68 3mfs h SER 64 N 0.92 0.22 -0.19 0.00 0.02 -1.10 -0.73 113.55 112.69 3mfs h SER 64 Ca 0.22 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 3mfs h SER 64 Cb 0.16 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3mfs h SER 64 CO -0.02 0.19 -0.00 0.40 -1.14 0.00 0.00 176.83 176.26 3mfs h ILE 65 N 0.22 1.25 -0.82 3.27 2.04 -0.73 -2.32 117.51 120.43 3mfs h ILE 65 Ca 0.07 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 3mfs h ILE 65 Cb 0.01 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 3mfs h ILE 65 CO -0.01 0.26 0.36 0.00 0.00 0.00 0.00 178.15 178.76 3mfs h HIS 67 N 1.18 0.86 0.23 0.00 -0.00 -1.00 -3.12 115.15 113.30 3mfs h HIS 67 Ca 0.28 0.02 -0.33 0.00 -0.00 0.00 0.00 60.37 60.34 3mfs h HIS 67 Cb 0.16 -0.29 0.03 0.00 -0.00 0.00 0.00 27.41 27.31 3mfs h HIS 67 CO 0.02 0.53 -1.44 1.98 -0.00 0.00 0.00 177.93 179.01 3mfs h MET 68 N 0.91 0.51 -6.47 5.26 -1.53 -0.94 -3.43 114.93 109.24 3mfs h MET 68 Ca 0.27 -0.86 -0.55 0.00 -3.44 0.00 0.00 59.70 55.13 3mfs h MET 68 Cb -0.04 0.32 -0.08 0.00 -0.55 0.00 0.00 31.60 31.25 3mfs h MET 68 CO -0.07 1.41 1.03 -0.51 0.14 0.00 0.00 176.91 178.91 3mfs s LEU 69 N -7.54 3.32 -0.22 3.39 1.43 -0.41 -4.99 118.68 113.67 3mfs s LEU 69 Ca -0.08 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 3mfs s LEU 69 Cb 0.05 -2.89 0.04 0.00 0.03 0.00 0.00 46.19 43.41 3mfs s LEU 69 CO 0.94 -1.66 -0.14 -0.54 0.23 0.00 0.00 176.35 175.18 3mfs s LYS 70 N 5.35 2.67 -0.14 1.70 -0.14 -1.26 -4.76 119.74 123.16 3mfs s LYS 70 Ca 0.40 -1.06 -0.21 0.00 -1.36 0.00 0.00 55.97 53.75 3mfs s LYS 70 Cb -0.08 -2.78 0.05 0.00 -1.68 0.00 0.00 37.83 33.34 3mfs s LYS 70 CO 0.21 -0.39 0.53 -1.58 -0.76 0.00 0.00 175.35 173.36 3mfs s HIS 71 N 1.22 -0.54 0.50 3.18 2.46 -1.26 -5.04 115.29 115.82 3mfs s HIS 71 Ca -0.01 1.18 0.30 0.00 0.47 0.00 0.00 55.06 56.99 3mfs s HIS 71 Cb -0.16 0.23 1.40 0.00 -0.13 0.00 0.00 32.58 33.92 3mfs s HIS 71 CO -0.08 -0.37 1.83 -1.35 -2.47 0.00 0.00 174.74 172.29 3mfs h PRO 72 N 4.55 0.11 -0.41 2.88 0.11 -1.99 -1.89 132.00 135.35 3mfs h PRO 72 Ca -0.28 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.64 3mfs h PRO 72 Cb 1.17 -0.02 -0.11 0.00 0.11 0.00 0.00 31.00 32.15 3mfs h PRO 72 CO 0.25 0.07 0.02 0.72 -0.21 0.00 0.00 178.00 178.85 3mfs n HIS 73 N -4.33 1.29 -4.55 0.65 8.25 -1.26 -4.88 115.22 110.40 3mfs n HIS 73 Ca 0.23 -1.47 -0.28 0.00 -0.26 0.00 0.00 57.72 55.94 3mfs n HIS 73 Cb 1.04 -0.51 -0.17 0.00 1.12 0.00 0.00 29.99 31.47 3mfs n HIS 73 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3mfs s ILE 74 N -3.16 1.45 -0.10 1.59 1.01 -0.71 -1.29 121.20 119.98 3mfs s ILE 74 Ca 0.46 -0.63 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 3mfs s ILE 74 Cb 0.40 -1.32 -0.08 0.00 0.01 0.00 0.00 42.46 41.47 3mfs s ILE 74 CO 0.03 0.43 2.07 0.52 0.00 0.00 0.00 174.94 177.99 3mfs n VAL 75 N 4.06 0.55 -2.75 2.92 0.31 -0.74 -4.52 118.33 118.16 3mfs n VAL 75 Ca -0.20 -0.26 -0.41 0.00 -0.01 0.00 0.00 64.34 63.46 3mfs n VAL 75 Cb 0.51 -2.30 -0.04 0.00 -0.91 0.00 0.00 33.84 31.11 3mfs n VAL 75 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3mfs s GLU 76 N 5.21 4.61 -0.07 5.55 2.12 -1.26 -4.90 118.70 129.96 3mfs s GLU 76 Ca 0.95 1.38 -0.27 0.00 0.36 0.00 0.00 54.97 57.39 3mfs s GLU 76 Cb -0.47 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 30.48 3mfs s GLU 76 CO 0.42 0.09 0.89 -1.17 -0.54 0.00 0.00 175.26 174.94 3mfs s LEU 77 N 0.52 4.29 -0.21 2.70 2.96 -1.26 -0.74 118.68 126.93 3mfs s LEU 77 Ca 0.48 1.42 -0.05 0.00 -0.22 0.00 0.00 54.13 55.76 3mfs s LEU 77 Cb -0.22 -3.38 -0.19 0.00 0.50 0.00 0.00 46.19 42.90 3mfs s LEU 77 CO 0.28 -0.29 -0.02 0.18 -1.32 0.00 0.00 176.35 175.17 3mfs n LEU 78 N 4.38 2.61 -3.60 -0.68 7.99 0.21 -4.89 117.00 123.02 3mfs n LEU 78 Ca 0.05 0.09 -0.06 0.00 -0.01 0.00 0.00 56.01 56.08 3mfs n LEU 78 Cb 0.50 -0.97 -0.02 0.00 -0.11 0.00 0.00 43.42 42.83 3mfs n LEU 78 CO 0.50 0.80 0.70 -1.83 -1.51 0.00 0.00 177.39 176.04 3mfs s GLU 79 N -2.52 0.98 0.01 3.23 -1.05 -1.14 -5.03 118.70 113.17 3mfs s GLU 79 Ca -0.31 -0.45 0.06 0.00 -0.15 0.00 0.00 54.97 54.12 3mfs s GLU 79 Cb 0.09 0.39 -0.02 0.00 -0.44 0.00 0.00 34.13 34.15 3mfs s GLU 79 CO 0.64 -0.44 -0.18 0.95 0.95 0.00 0.00 175.26 177.18 3mfs s THR 80 N -3.19 1.39 0.20 1.83 -4.23 -1.26 -1.02 115.64 109.36 3mfs s THR 80 Ca 0.08 -0.87 0.09 0.00 -1.18 0.00 0.00 61.69 59.81 3mfs s THR 80 Cb -0.01 -1.18 -0.04 0.00 1.34 0.00 0.00 72.50 72.60 3mfs s THR 80 CO -0.04 0.30 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.96 3mfs s TYR 81 N -0.55 2.67 -0.08 3.99 1.51 0.57 -4.98 117.35 120.48 3mfs s TYR 81 Ca 0.06 -0.21 -0.03 0.00 -1.01 0.00 0.00 57.07 55.88 3mfs s TYR 81 Cb -0.07 -1.27 0.04 0.00 -0.11 0.00 0.00 41.96 40.55 3mfs s TYR 81 CO 0.00 0.54 0.10 -1.12 -1.11 0.00 0.00 175.55 173.96 3mfs s SER 82 N -3.05 1.26 -0.28 2.29 0.01 -1.26 -0.72 113.70 111.96 3mfs s SER 82 Ca 0.27 0.01 -0.19 0.00 1.31 0.00 0.00 55.95 57.34 3mfs s SER 82 Cb -0.08 -0.04 0.09 0.00 0.21 0.00 0.00 66.02 66.20 3mfs s SER 82 CO 0.17 -0.27 0.79 -0.94 0.41 0.00 0.00 173.24 173.40 3mfs s SER 83 N 2.20 -0.76 -1.10 2.44 1.04 -0.87 -4.99 113.70 111.66 3mfs s SER 83 Ca 0.04 1.30 -0.00 0.00 0.48 0.00 0.00 55.95 57.77 3mfs s SER 83 Cb -0.13 1.32 -0.01 0.00 0.10 0.00 0.00 66.02 67.30 3mfs s SER 83 CO -0.05 -0.21 0.92 0.47 0.98 0.00 0.00 173.24 175.35 3mfs n ASP 84 N 3.57 -2.39 -0.98 7.02 9.92 -1.26 -2.84 116.55 129.59 3mfs n ASP 84 Ca -0.17 -0.58 -0.13 0.00 -0.53 0.00 0.00 54.79 53.38 3mfs n ASP 84 Cb 0.57 -4.79 -0.05 0.00 -0.64 0.00 0.00 41.12 36.21 3mfs n ASP 84 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3mfs n GLY 85 N -1.13 1.28 3.31 0.44 0.00 -1.26 -4.98 105.19 102.84 3mfs n GLY 85 Ca -0.25 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 3mfs n GLY 85 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mfs s MET 86 N -3.00 1.84 -0.20 1.61 -1.94 -1.13 -1.62 119.30 114.86 3mfs s MET 86 Ca 0.00 -0.99 -0.05 0.00 -1.71 0.00 0.00 55.69 52.94 3mfs s MET 86 Cb 0.00 -1.90 -0.03 0.00 2.01 0.00 0.00 34.83 34.91 3mfs s MET 86 CO 0.00 0.51 0.00 -1.17 -0.01 0.00 0.00 175.02 174.35 3mfs s LEU 87 N -0.93 3.29 -0.31 -0.03 0.20 -0.10 -2.05 118.68 118.74 3mfs s LEU 87 Ca 0.10 -0.19 -0.05 0.00 0.69 0.00 0.00 54.13 54.69 3mfs s LEU 87 Cb -0.10 -1.83 0.04 0.00 -0.43 0.00 0.00 46.19 43.87 3mfs s LEU 87 CO 0.01 0.07 0.06 -0.31 -0.29 0.00 0.00 176.35 175.88 3mfs s TYR 88 N 0.97 3.22 -0.36 5.38 1.51 0.10 -0.60 117.35 127.57 3mfs s TYR 88 Ca 0.02 -1.49 -0.09 0.00 -1.01 0.00 0.00 57.07 54.49 3mfs s TYR 88 Cb -0.14 -2.20 0.03 0.00 -0.11 0.00 0.00 41.96 39.53 3mfs s TYR 88 CO 0.02 -0.73 0.17 -1.64 -1.11 0.00 0.00 175.55 172.26 3mfs s MET 89 N 1.37 2.75 -0.31 -0.62 -1.94 0.91 -0.32 119.30 121.14 3mfs s MET 89 Ca -0.02 -1.12 -0.18 0.00 -1.71 0.00 0.00 55.69 52.67 3mfs s MET 89 Cb -0.19 -3.63 -0.01 0.00 2.01 0.00 0.00 34.83 33.01 3mfs s MET 89 CO 0.01 -0.69 0.51 0.08 -0.01 0.00 0.00 175.02 174.93 3mfs s VAL 90 N 1.50 5.04 0.33 -6.03 1.01 -0.19 -0.19 120.40 121.86 3mfs s VAL 90 Ca 0.01 0.58 0.09 0.00 0.00 0.00 0.00 61.98 62.66 3mfs s VAL 90 Cb -0.19 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 3mfs s VAL 90 CO 0.05 -0.08 0.02 -0.36 0.00 0.00 0.00 175.10 174.74 3mfs s PHE 91 N 2.36 2.59 0.64 5.22 0.40 0.11 0.68 117.98 129.97 3mfs s PHE 91 Ca 0.20 -0.39 -0.18 0.00 -0.60 0.00 0.00 56.93 55.95 3mfs s PHE 91 Cb -0.15 -1.45 -0.02 0.00 0.51 0.00 0.00 43.02 41.91 3mfs s PHE 91 CO 0.12 0.48 1.29 -0.85 0.70 0.00 0.00 175.22 176.96 3mfs n GLU 92 N -0.97 1.17 -2.88 0.44 0.28 0.08 -1.65 120.64 117.11 3mfs n GLU 92 Ca -0.04 0.45 -0.42 0.00 -0.16 0.00 0.00 57.16 57.00 3mfs n GLU 92 Cb 0.62 -2.53 -0.04 0.00 1.43 0.00 0.00 31.44 30.92 3mfs n GLU 92 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3mfs s PHE 93 N -1.38 3.36 -0.50 -1.84 5.36 -1.26 -4.12 117.98 117.60 3mfs s PHE 93 Ca 0.81 1.20 -0.20 0.00 -0.96 0.00 0.00 56.93 57.78 3mfs s PHE 93 Cb -0.39 -3.04 0.05 0.00 -0.34 0.00 0.00 43.02 39.30 3mfs s PHE 93 CO 0.41 -0.33 0.68 -1.64 -1.46 0.00 0.00 175.22 172.88 3mfs s MET 94 N 2.54 3.19 -0.33 10.12 -1.94 -1.26 -4.93 119.30 126.68 3mfs s MET 94 Ca 0.37 -0.68 -0.04 0.00 -1.71 0.00 0.00 55.69 53.63 3mfs s MET 94 Cb -0.16 -4.06 0.01 0.00 2.01 0.00 0.00 34.83 32.63 3mfs s MET 94 CO 0.09 -1.22 2.85 -3.47 -0.01 0.00 0.00 175.02 173.26 3mfs n ASP 95 N 6.41 6.19 -3.47 3.03 4.64 0.04 -4.83 116.55 128.56 3mfs n ASP 95 Ca -0.04 -3.02 -0.10 0.00 -1.38 0.00 0.00 54.79 50.24 3mfs n ASP 95 Cb 0.46 -1.25 -0.02 0.00 -1.04 0.00 0.00 41.12 39.27 3mfs n ASP 95 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 3mfs s GLY 96 N 0.71 -0.54 0.89 0.27 0.00 -1.02 -2.80 107.32 104.83 3mfs s GLY 96 Ca 0.56 0.66 -0.11 0.00 0.00 0.00 0.00 44.72 45.83 3mfs s GLY 96 CO -0.15 0.22 1.21 0.00 0.00 0.00 0.00 173.10 174.38 3mfs n ALA 97 N -0.33 -0.94 -1.15 3.20 0.00 -1.26 -4.31 120.51 115.73 3mfs n ALA 97 Ca -0.13 -1.80 -0.33 0.00 0.00 0.00 0.00 53.44 51.18 3mfs n ALA 97 Cb 0.63 0.05 0.12 0.00 0.00 0.00 0.00 19.45 20.26 3mfs n ALA 97 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3mfs s ASP 98 N -5.56 3.69 0.52 0.00 3.84 -1.26 -2.21 116.67 115.70 3mfs s ASP 98 Ca 0.72 2.36 0.20 0.00 -0.00 0.00 0.00 52.55 55.82 3mfs s ASP 98 Cb -0.03 -2.59 1.32 0.00 -1.38 0.00 0.00 42.92 40.24 3mfs s ASP 98 CO 0.49 -2.60 2.09 0.17 -0.00 0.00 0.00 175.17 175.32 3mfs h LEU 99 N -0.82 0.01 -0.16 2.11 -0.00 -1.44 -1.02 115.31 113.99 3mfs h LEU 99 Ca -0.46 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.19 3mfs h LEU 99 Cb 1.29 -0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.95 3mfs h LEU 99 CO 0.47 0.00 -0.97 0.00 -0.00 0.00 0.00 178.44 177.94 3mfs h PHE 101 N 0.17 0.78 -0.38 0.00 0.04 -1.72 -3.31 116.94 112.52 3mfs h PHE 101 Ca -0.08 -0.14 -0.10 0.00 2.80 0.00 0.00 57.97 60.45 3mfs h PHE 101 Cb 1.62 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 39.55 3mfs h PHE 101 CO 0.05 0.80 -0.16 0.93 -0.60 0.00 0.00 178.31 179.33 3mfs h GLU 102 N 0.53 0.71 -0.61 1.51 4.39 -1.07 -3.00 114.58 117.04 3mfs h GLU 102 Ca 0.11 -0.25 0.06 0.00 0.34 0.00 0.00 59.36 59.62 3mfs h GLU 102 Cb 0.50 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.05 3mfs h GLU 102 CO 0.02 0.84 0.30 0.82 -1.16 0.00 0.00 179.01 179.83 3mfs h ILE 103 N 0.64 0.91 -0.47 3.13 2.04 -1.06 0.80 117.51 123.50 3mfs h ILE 103 Ca 0.10 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 3mfs h ILE 103 Cb 0.64 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3mfs h ILE 103 CO 0.04 0.10 -0.06 0.58 0.00 0.00 0.00 178.15 178.82 3mfs h VAL 104 N 0.56 1.27 0.13 1.67 2.07 -1.64 -1.41 116.25 118.90 3mfs h VAL 104 Ca 0.28 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.66 3mfs h VAL 104 Cb 0.22 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3mfs h VAL 104 CO -0.21 0.40 -0.31 0.11 0.02 0.00 0.00 177.57 177.59 3mfs h LYS 105 N 0.73 -0.52 -0.76 1.57 1.57 -1.32 0.23 116.57 118.07 3mfs h LYS 105 Ca 0.13 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 59.08 3mfs h LYS 105 Cb 0.59 0.12 -0.14 0.00 0.08 0.00 0.00 32.23 32.88 3mfs h LYS 105 CO 0.04 -0.35 -0.30 -0.09 -0.57 0.00 0.00 179.45 178.18 3mfs h ARG 106 N -0.54 -0.06 -0.36 3.15 2.43 -0.66 0.24 114.38 118.57 3mfs h ARG 106 Ca 0.03 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 3mfs h ARG 106 Cb 0.56 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3mfs h ARG 106 CO -0.17 -0.04 -0.22 0.00 -1.51 0.00 0.00 179.97 178.02 3mfs h ALA 107 N 1.38 0.93 0.00 2.80 0.00 -0.90 -2.01 119.26 121.47 3mfs h ALA 107 Ca 0.32 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3mfs h ALA 107 Cb 0.58 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3mfs h ALA 107 CO -0.81 0.61 -0.51 -0.44 0.00 0.00 0.00 179.25 178.11 3mfs h ASP 108 N 0.62 0.00 0.16 0.00 3.45 0.35 -2.16 116.42 118.84 3mfs h ASP 108 Ca 0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.55 3mfs h ASP 108 Cb 0.71 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.48 3mfs h ASP 108 CO 0.05 0.51 0.00 0.00 -1.57 0.00 0.00 179.24 178.23 3mfs n ALA 109 N -2.41 2.26 -0.06 3.45 0.00 0.74 -4.88 120.51 119.61 3mfs n ALA 109 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3mfs n ALA 109 Cb 0.53 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3mfs n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mfs n GLY 110 N 0.48 0.59 3.89 0.00 0.00 -0.81 -5.07 105.19 104.26 3mfs n GLY 110 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3mfs n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mfs s PHE 111 N -2.10 3.52 0.01 1.61 0.40 -0.78 -5.00 117.98 115.63 3mfs s PHE 111 Ca 0.00 0.97 -0.29 0.00 -0.60 0.00 0.00 56.93 57.02 3mfs s PHE 111 Cb 0.00 -2.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 3mfs s PHE 111 CO 0.00 -0.21 0.91 0.08 0.70 0.00 0.00 175.22 176.70 3mfs s VAL 112 N -2.57 4.83 -0.37 -0.44 1.01 -1.26 -4.12 120.40 117.48 3mfs s VAL 112 Ca 0.50 1.93 -0.06 0.00 0.00 0.00 0.00 61.98 64.35 3mfs s VAL 112 Cb -0.10 -4.26 0.07 0.00 0.00 0.00 0.00 36.38 32.09 3mfs s VAL 112 CO 0.38 0.22 0.16 -0.47 0.00 0.00 0.00 175.10 175.39 3mfs s TYR 113 N 0.73 3.36 0.53 5.22 6.14 -1.26 -4.96 117.35 127.12 3mfs s TYR 113 Ca 0.48 -1.76 0.01 0.00 0.64 0.00 0.00 57.07 56.44 3mfs s TYR 113 Cb -0.21 -2.69 0.01 0.00 0.42 0.00 0.00 41.96 39.49 3mfs s TYR 113 CO 0.26 -0.84 0.09 -1.54 0.64 0.00 0.00 175.55 174.16 3mfs s SER 114 N 1.71 4.26 0.31 4.32 1.04 -1.26 -1.15 113.70 122.93 3mfs s SER 114 Ca 0.02 -1.61 -0.00 0.00 0.48 0.00 0.00 55.95 54.84 3mfs s SER 114 Cb -0.21 0.62 0.50 0.00 0.10 0.00 0.00 66.02 67.02 3mfs s SER 114 CO 0.00 -0.96 1.92 -0.33 0.98 0.00 0.00 173.24 174.86 3mfs h GLU 115 N 1.17 0.88 -0.96 4.02 5.08 -1.73 -2.43 114.58 120.61 3mfs h GLU 115 Ca -0.42 -0.10 0.16 0.00 -1.00 0.00 0.00 59.36 57.99 3mfs h GLU 115 Cb 1.32 -0.17 -0.10 0.00 0.50 0.00 0.00 28.75 30.30 3mfs h GLU 115 CO 0.70 0.67 0.57 0.00 -1.00 0.00 0.00 179.01 179.95 3mfs h ALA 116 N 1.47 1.51 0.30 3.43 0.00 -1.60 0.55 119.26 124.93 3mfs h ALA 116 Ca 0.22 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3mfs h ALA 116 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3mfs h ALA 116 CO -0.03 0.02 -0.15 0.28 0.00 0.00 0.00 179.25 179.38 3mfs h VAL 117 N 0.80 0.68 -0.98 0.00 2.07 -1.76 -1.50 116.25 115.56 3mfs h VAL 117 Ca 0.52 -0.63 0.11 0.00 0.82 0.00 0.00 66.70 67.52 3mfs h VAL 117 Cb 0.71 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 3mfs h VAL 117 CO -0.34 0.12 0.62 0.00 0.02 0.00 0.00 177.57 177.99 3mfs h ALA 118 N -0.26 1.56 -0.35 1.67 0.00 -1.03 -1.34 119.26 119.51 3mfs h ALA 118 Ca -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3mfs h ALA 118 Cb 0.51 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3mfs h ALA 118 CO 0.07 0.22 0.13 1.03 0.00 0.00 0.00 179.25 180.69 3mfs h SER 119 N 0.97 0.50 -0.34 0.00 0.87 0.10 -0.31 113.55 115.34 3mfs h SER 119 Ca 0.47 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 3mfs h SER 119 Cb 0.46 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3mfs h SER 119 CO -0.23 0.55 0.13 -0.74 -0.53 0.00 0.00 176.83 176.01 3mfs h HIS 120 N 0.42 0.52 -0.95 2.24 2.76 -0.54 -1.55 115.15 118.05 3mfs h HIS 120 Ca 0.12 -0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.27 3mfs h HIS 120 Cb 0.22 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 28.97 3mfs h HIS 120 CO 0.00 0.49 0.62 1.88 -1.30 0.00 0.00 177.93 179.63 3mfs h TYR 121 N 0.40 1.18 -0.38 5.26 0.99 -1.20 -2.94 116.97 120.28 3mfs h TYR 121 Ca 0.11 0.03 -0.15 0.00 2.00 0.00 0.00 58.73 60.72 3mfs h TYR 121 Cb 0.19 -0.40 -0.01 0.00 1.00 0.00 0.00 36.73 37.52 3mfs h TYR 121 CO -0.00 0.71 -0.35 1.98 -0.00 0.00 0.00 178.16 180.50 3mfs h MET 122 N 1.24 0.87 -0.70 4.88 4.05 -0.74 -2.50 114.93 122.03 3mfs h MET 122 Ca 0.36 -0.43 0.03 0.00 -0.28 0.00 0.00 59.70 59.39 3mfs h MET 122 Cb -0.07 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.68 3mfs h MET 122 CO -0.10 1.08 0.43 -0.09 0.23 0.00 0.00 176.91 178.46 3mfs h ARG 123 N 0.72 0.82 -0.12 0.39 2.43 -1.22 0.25 114.38 117.65 3mfs h ARG 123 Ca 0.07 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3mfs h ARG 123 Cb 0.92 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3mfs h ARG 123 CO 0.08 0.54 0.05 1.96 -1.51 0.00 0.00 179.97 181.09 3mfs h GLN 124 N 0.84 0.17 -0.30 0.20 4.20 -1.38 0.51 115.11 119.35 3mfs h GLN 124 Ca 0.28 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 59.02 3mfs h GLN 124 Cb 0.04 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 3mfs h GLN 124 CO -0.12 0.27 -0.07 0.82 -0.67 0.00 0.00 178.83 179.06 3mfs h ILE 125 N 0.04 0.70 -0.28 2.54 2.04 -1.25 -1.80 117.51 119.50 3mfs h ILE 125 Ca 0.04 -0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 3mfs h ILE 125 Cb 0.16 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3mfs h ILE 125 CO -0.00 0.00 -0.11 -0.07 0.00 0.00 0.00 178.15 177.97 3mfs h LEU 126 N 0.00 0.44 -0.42 1.44 3.38 -0.61 -1.73 115.31 117.82 3mfs h LEU 126 Ca 0.15 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3mfs h LEU 126 Cb 0.22 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3mfs h LEU 126 CO -0.31 0.59 0.23 -0.33 0.09 0.00 0.00 178.44 178.72 3mfs h GLU 127 N 0.43 0.46 -0.17 1.13 5.08 0.39 0.31 114.58 122.22 3mfs h GLU 127 Ca 0.08 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3mfs h GLU 127 Cb 0.46 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3mfs h GLU 127 CO 0.03 0.30 -0.06 0.00 -1.00 0.00 0.00 179.01 178.27 3mfs h ALA 128 N 1.20 0.09 -0.61 3.43 0.00 -0.98 -2.64 119.26 119.75 3mfs h ALA 128 Ca 0.17 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3mfs h ALA 128 Cb 0.04 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3mfs h ALA 128 CO -0.10 -0.50 0.21 -0.07 0.00 0.00 0.00 179.25 178.79 3mfs h LEU 129 N -0.03 0.83 -0.65 0.00 3.38 -1.00 -0.98 115.31 116.86 3mfs h LEU 129 Ca 0.09 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.00 3mfs h LEU 129 Cb 0.16 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3mfs h LEU 129 CO -0.19 0.77 0.33 -0.09 0.09 0.00 0.00 178.44 179.35 3mfs h ARG 130 N 0.88 0.58 -0.39 1.13 2.43 -0.16 0.20 114.38 119.06 3mfs h ARG 130 Ca 0.20 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.20 3mfs h ARG 130 Cb 0.22 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3mfs h ARG 130 CO -0.01 0.39 -0.32 -0.92 -1.51 0.00 0.00 179.97 177.59 3mfs h TYR 131 N 0.60 1.02 -0.07 2.20 3.20 -1.07 0.11 116.97 122.95 3mfs h TYR 131 Ca 0.31 -0.28 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3mfs h TYR 131 Cb 0.26 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 3mfs h TYR 131 CO -0.10 1.07 0.04 0.00 -1.64 0.00 0.00 178.16 177.53 3mfs h HIS 133 N 0.07 1.08 -0.79 0.00 3.86 -0.43 -1.26 115.15 117.66 3mfs h HIS 133 Ca 0.03 -0.20 0.22 0.00 -1.16 0.00 0.00 60.37 59.25 3mfs h HIS 133 Cb 0.03 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.19 3mfs h HIS 133 CO -0.06 1.00 0.56 -0.44 0.86 0.00 0.00 177.93 179.85 3mfs h ASP 134 N 0.88 0.06 -0.53 2.45 3.45 -0.74 0.21 116.42 122.20 3mfs h ASP 134 Ca 0.15 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.61 3mfs h ASP 134 Cb 0.62 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.39 3mfs h ASP 134 CO 0.04 0.03 0.00 0.59 -1.57 0.00 0.00 179.24 178.33 3mfs n ASN 135 N -4.33 3.23 -3.22 6.45 3.02 -0.70 -4.95 115.26 114.76 3mfs n ASN 135 Ca 0.16 -1.97 -0.21 0.00 -0.03 0.00 0.00 54.58 52.53 3mfs n ASN 135 Cb 0.82 -0.35 0.07 0.00 -0.61 0.00 0.00 39.78 39.71 3mfs n ASN 135 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3mfs n ASN 136 N 1.28 -5.74 -4.17 6.41 3.02 0.75 -4.90 115.26 111.92 3mfs n ASN 136 Ca 0.20 -0.48 -0.31 0.00 -0.03 0.00 0.00 54.58 53.97 3mfs n ASN 136 Cb 0.53 -4.49 -0.17 0.00 -0.61 0.00 0.00 39.78 35.04 3mfs n ASN 136 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3mfs s ILE 137 N -3.28 1.87 -0.10 2.41 1.01 -0.56 -0.30 121.20 122.24 3mfs s ILE 137 Ca 0.50 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 3mfs s ILE 137 Cb -0.22 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 3mfs s ILE 137 CO 0.64 0.52 -0.00 0.27 0.00 0.00 0.00 174.94 176.37 3mfs s ILE 138 N 0.54 4.28 0.00 2.92 -4.36 -0.05 -3.57 121.20 120.96 3mfs s ILE 138 Ca -0.15 -0.25 -0.21 0.00 -0.26 0.00 0.00 60.65 59.78 3mfs s ILE 138 Cb -0.17 -2.81 -0.21 0.00 1.25 0.00 0.00 42.46 40.52 3mfs s ILE 138 CO 0.05 0.59 1.13 -0.74 0.24 0.00 0.00 174.94 176.21 3mfs h HIS 139 N 5.38 0.51 0.00 1.37 -0.00 -1.91 -1.15 115.15 119.35 3mfs h HIS 139 Ca -0.48 -0.25 0.00 0.00 -0.00 0.00 0.00 60.37 59.64 3mfs h HIS 139 Cb 1.19 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.53 3mfs h HIS 139 CO 0.62 1.03 0.00 0.54 -0.00 0.00 0.00 177.93 180.12 3mfs n ARG 140 N -4.34 0.00 -2.83 5.26 1.74 -1.26 -3.06 116.66 112.17 3mfs n ARG 140 Ca -0.09 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3mfs n ARG 140 Cb 0.58 -3.41 0.05 0.00 -1.02 0.00 0.00 32.46 28.66 3mfs n ARG 140 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3mfs n ASP 141 N 0.00 1.47 -4.65 0.55 2.03 -1.26 -4.33 116.55 110.36 3mfs n ASP 141 Ca 0.00 -2.03 -0.42 0.00 0.52 0.00 0.00 54.79 52.86 3mfs n ASP 141 Cb 0.00 -0.44 -0.03 0.00 -0.72 0.00 0.00 41.12 39.93 3mfs n ASP 141 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3mfs s VAL 142 N -3.67 3.44 0.12 5.18 1.01 -1.26 -4.82 120.40 120.39 3mfs s VAL 142 Ca 0.26 0.53 -0.25 0.00 0.00 0.00 0.00 61.98 62.52 3mfs s VAL 142 Cb 0.32 -3.37 0.07 0.00 0.00 0.00 0.00 36.38 33.41 3mfs s VAL 142 CO -0.04 -0.08 0.76 -1.59 0.00 0.00 0.00 175.10 174.15 3mfs s LYS 143 N 4.35 1.17 0.28 2.72 -2.85 -1.26 -4.72 119.74 119.42 3mfs s LYS 143 Ca 0.78 -0.50 0.02 0.00 -1.00 0.00 0.00 55.97 55.27 3mfs s LYS 143 Cb -0.34 0.49 0.61 0.00 -2.06 0.00 0.00 37.83 36.53 3mfs s LYS 143 CO 0.32 -0.52 1.79 -1.35 0.10 0.00 0.00 175.35 175.70 3mfs h PRO 144 N 2.00 0.77 -0.49 1.78 0.11 -1.93 -0.47 132.00 133.77 3mfs h PRO 144 Ca -0.27 -0.05 0.14 0.00 0.11 0.00 0.00 66.00 65.94 3mfs h PRO 144 Cb 1.27 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3mfs h PRO 144 CO 0.32 0.51 0.42 0.93 -0.21 0.00 0.00 178.00 179.97 3mfs h GLU 145 N 0.80 0.00 -0.64 1.05 3.07 -1.97 -1.84 114.58 115.06 3mfs h GLU 145 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 3mfs h GLU 145 Cb 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 3mfs h GLU 145 CO -0.34 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.36 3mfs n ASN 146 N -4.05 3.82 -3.98 1.42 3.02 -0.19 -4.75 115.26 110.55 3mfs n ASN 146 Ca 0.09 -2.00 -0.31 0.00 -0.03 0.00 0.00 54.58 52.33 3mfs n ASN 146 Cb 0.62 -0.42 -0.15 0.00 -0.61 0.00 0.00 39.78 39.22 3mfs n ASN 146 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mfs s VAL 147 N -1.16 1.86 0.13 2.41 1.01 -0.69 -0.28 120.40 123.68 3mfs s VAL 147 Ca 0.46 -1.66 0.06 0.00 0.00 0.00 0.00 61.98 60.84 3mfs s VAL 147 Cb 0.25 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 3mfs s VAL 147 CO 0.33 -0.27 0.03 -0.76 0.00 0.00 0.00 175.10 174.44 3mfs s LEU 148 N 1.20 3.50 0.18 3.92 1.02 -0.67 -1.52 118.68 126.31 3mfs s LEU 148 Ca -0.01 -0.23 -0.30 0.00 0.02 0.00 0.00 54.13 53.61 3mfs s LEU 148 Cb -0.19 -2.18 -0.08 0.00 0.02 0.00 0.00 46.19 43.77 3mfs s LEU 148 CO -0.08 0.12 0.99 -0.76 0.02 0.00 0.00 176.35 176.64 3mfs s LEU 149 N -2.69 4.56 0.23 1.79 1.02 -0.94 -0.92 118.68 121.72 3mfs s LEU 149 Ca 0.28 1.93 -0.03 0.00 0.02 0.00 0.00 54.13 56.33 3mfs s LEU 149 Cb -0.11 -3.60 0.23 0.00 0.02 0.00 0.00 46.19 42.73 3mfs s LEU 149 CO 0.20 -0.01 1.63 0.00 0.02 0.00 0.00 176.35 178.19 3mfs h ALA 150 N 4.84 0.90 -2.93 4.21 0.00 -1.31 -2.70 119.26 122.27 3mfs h ALA 150 Ca -0.44 -0.39 -0.31 0.00 0.00 0.00 0.00 54.91 53.78 3mfs h ALA 150 Cb 1.21 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 3mfs h ALA 150 CO 0.70 0.62 -0.22 -1.54 0.00 0.00 0.00 179.25 178.81 3mfs s SER 151 N -6.79 1.05 -1.00 0.00 1.04 -1.26 -0.78 113.70 105.96 3mfs s SER 151 Ca -0.08 -1.54 -0.02 0.00 0.48 0.00 0.00 55.95 54.79 3mfs s SER 151 Cb 0.13 0.66 0.31 0.00 0.10 0.00 0.00 66.02 67.22 3mfs s SER 151 CO 0.83 -1.28 1.92 1.17 0.98 0.00 0.00 173.24 176.85 3mfs n LYS 152 N -0.58 4.80 -4.24 4.02 3.00 -1.12 -4.56 118.16 119.47 3mfs n LYS 152 Ca 0.02 -4.32 -0.17 0.00 -0.00 0.00 0.00 58.31 53.84 3mfs n LYS 152 Cb 0.62 -2.43 -0.11 0.00 0.00 0.00 0.00 35.03 33.11 3mfs n LYS 152 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3mfs s GLU 153 N -4.06 1.04 0.28 1.64 2.02 -1.26 -5.05 118.70 113.32 3mfs s GLU 153 Ca 0.43 -1.31 0.26 0.00 0.02 0.00 0.00 54.97 54.36 3mfs s GLU 153 Cb 0.24 -0.81 0.92 0.00 0.10 0.00 0.00 34.13 34.59 3mfs s GLU 153 CO -0.19 0.14 1.76 -0.91 0.02 0.00 0.00 175.26 176.08 3mfs h ASN 154 N 3.26 0.00 -0.05 -0.19 -0.26 -2.03 -2.32 115.58 113.99 3mfs h ASN 154 Ca -0.39 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.35 3mfs h ASN 154 Cb 1.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.46 3mfs h ASN 154 CO 0.55 0.00 0.00 -1.54 -1.06 0.00 0.00 177.43 175.38 3mfs n SER 155 N -2.39 2.93 -4.64 5.81 3.41 -1.26 -4.99 113.62 112.48 3mfs n SER 155 Ca 0.03 -1.97 -0.46 0.00 -0.26 0.00 0.00 58.87 56.21 3mfs n SER 155 Cb 0.33 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.24 3mfs n SER 155 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mfs n ALA 156 N 1.29 0.58 -1.72 7.33 0.00 -0.88 -4.98 120.51 122.13 3mfs n ALA 156 Ca 0.15 0.42 -0.32 0.00 0.00 0.00 0.00 53.44 53.69 3mfs n ALA 156 Cb 0.59 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3mfs n ALA 156 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3mfs s PRO 157 N -0.42 3.48 0.19 0.00 0.04 -1.26 -4.79 135.00 132.23 3mfs s PRO 157 Ca 0.69 1.05 -0.01 0.00 0.04 0.00 0.00 61.00 62.78 3mfs s PRO 157 Cb -0.70 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 3mfs s PRO 157 CO 0.51 -0.67 0.37 0.14 0.04 0.00 0.00 177.00 177.39 3mfs s VAL 158 N -2.65 5.22 -0.01 -0.36 -7.23 -1.26 -0.87 120.40 113.24 3mfs s VAL 158 Ca 0.61 -0.37 -0.00 0.00 -1.81 0.00 0.00 61.98 60.40 3mfs s VAL 158 Cb -0.13 -3.72 0.01 0.00 0.56 0.00 0.00 36.38 33.10 3mfs s VAL 158 CO 0.39 -0.14 0.02 -0.54 -0.31 0.00 0.00 175.10 174.53 3mfs s LYS 159 N -3.24 -0.00 0.01 4.82 1.02 -0.10 -4.67 119.74 117.59 3mfs s LYS 159 Ca 0.38 0.09 -0.27 0.00 0.02 0.00 0.00 55.97 56.19 3mfs s LYS 159 Cb -0.11 -0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 37.07 3mfs s LYS 159 CO 0.29 -0.06 0.84 -1.17 -0.92 0.00 0.00 175.35 174.32 3mfs s LEU 160 N 0.41 4.40 0.00 3.17 2.96 -0.41 -1.67 118.68 127.54 3mfs s LEU 160 Ca -0.03 1.48 0.00 0.00 -0.22 0.00 0.00 54.13 55.36 3mfs s LEU 160 Cb -0.05 -3.34 0.00 0.00 0.50 0.00 0.00 46.19 43.30 3mfs s LEU 160 CO -0.01 -0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.51 3mfs n GLY 161 N 2.72 6.14 3.23 7.98 0.00 0.61 -1.80 105.19 124.07 3mfs n GLY 161 Ca 0.01 -1.63 -0.08 0.00 0.00 0.00 0.00 46.02 44.32 3mfs n GLY 161 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mfs n ASP 162 N 0.00 -7.05 -1.56 1.61 -0.08 -1.26 -4.88 116.55 103.33 3mfs n ASP 162 Ca 0.00 -0.23 -0.09 0.00 -1.51 0.00 0.00 54.79 52.96 3mfs n ASP 162 Cb 0.00 -4.34 0.12 0.00 2.34 0.00 0.00 41.12 39.24 3mfs n ASP 162 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3mfs n PHE 163 N -1.78 1.51 0.28 -0.67 3.01 -1.26 -4.53 117.46 114.01 3mfs n PHE 163 Ca -0.07 -1.03 0.14 0.00 1.01 0.00 0.00 57.45 57.50 3mfs n PHE 163 Cb 0.55 -0.55 0.80 0.00 -0.01 0.00 0.00 39.48 40.27 3mfs n PHE 163 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3mfs h GLY 164 N 2.86 0.00 -0.29 1.37 0.00 -1.91 -2.74 103.07 102.36 3mfs h GLY 164 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3mfs h GLY 164 CO 0.51 0.00 0.00 3.33 0.00 0.00 0.00 176.54 180.38 3mfs n VAL 165 N -3.71 0.41 -1.67 4.60 0.24 -1.26 -4.93 118.33 112.02 3mfs n VAL 165 Ca -0.02 -0.71 -0.38 0.00 -2.04 0.00 0.00 64.34 61.19 3mfs n VAL 165 Cb 0.18 0.83 0.05 0.00 -1.47 0.00 0.00 33.84 33.43 3mfs n VAL 165 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mfs n ALA 166 N 0.01 0.69 -3.27 2.33 0.00 -1.04 -4.75 120.51 114.48 3mfs n ALA 166 Ca 0.02 0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 3mfs n ALA 166 Cb 0.17 -2.21 -0.09 0.00 0.00 0.00 0.00 19.45 17.32 3mfs n ALA 166 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3mfs s ILE 167 N -1.43 0.04 0.22 0.00 2.07 -0.44 -4.90 121.20 116.77 3mfs s ILE 167 Ca 0.77 -0.37 -0.19 0.00 -1.41 0.00 0.00 60.65 59.45 3mfs s ILE 167 Cb -0.41 -0.63 -0.08 0.00 0.13 0.00 0.00 42.46 41.46 3mfs s ILE 167 CO 0.46 -0.20 0.71 -1.58 -1.91 0.00 0.00 174.94 172.41 3mfs s GLN 168 N -1.09 4.21 0.11 3.50 0.74 -1.26 -0.87 119.66 124.99 3mfs s GLN 168 Ca -0.11 0.82 0.02 0.00 0.05 0.00 0.00 55.36 56.14 3mfs s GLN 168 Cb -0.04 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.17 3mfs s GLN 168 CO 0.04 0.39 0.21 -0.51 -0.55 0.00 0.00 175.29 174.87 3mfs s LEU 169 N -2.03 4.21 0.00 3.68 1.43 0.59 -4.96 118.68 121.59 3mfs s LEU 169 Ca 0.43 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 3mfs s LEU 169 Cb -0.16 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.24 3mfs s LEU 169 CO 0.21 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.51 3mfs n GLY 170 N -0.06 0.51 0.21 -3.19 0.00 -1.26 -4.87 105.19 96.53 3mfs n GLY 170 Ca -0.07 -1.58 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 3mfs n GLY 170 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3mfs h GLU 171 N 0.00 0.51 0.00 1.61 4.57 -2.00 -3.06 114.58 116.20 3mfs h GLU 171 Ca 0.00 -0.29 -0.04 0.00 -1.18 0.00 0.00 59.36 57.85 3mfs h GLU 171 Cb 0.00 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3mfs h GLU 171 CO 0.00 0.88 -0.19 0.66 -1.18 0.00 0.00 179.01 179.18 3mfs h SER 172 N 0.40 0.00 -0.48 1.04 4.64 -2.05 -3.46 113.55 113.64 3mfs h SER 172 Ca 0.02 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.24 3mfs h SER 172 Cb 1.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.07 3mfs h SER 172 CO 0.09 0.19 -0.11 0.61 -0.87 0.00 0.00 176.83 176.74 3mfs n GLY 173 N -0.70 0.43 3.10 -0.77 0.00 -1.16 -5.05 105.19 101.03 3mfs n GLY 173 Ca -0.02 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 3mfs n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mfs s LEU 174 N -1.25 2.19 0.18 0.99 1.43 -1.26 -4.26 118.68 116.69 3mfs s LEU 174 Ca 0.00 -0.46 0.11 0.00 -1.03 0.00 0.00 54.13 52.75 3mfs s LEU 174 Cb 0.00 -0.41 -0.04 0.00 0.03 0.00 0.00 46.19 45.76 3mfs s LEU 174 CO 0.00 -0.05 -0.20 0.68 0.23 0.00 0.00 176.35 177.01 3mfs s VAL 175 N -0.96 2.59 -0.07 -1.59 -7.23 0.36 -4.47 120.40 109.03 3mfs s VAL 175 Ca -0.02 -1.88 -0.04 0.00 -1.81 0.00 0.00 61.98 58.23 3mfs s VAL 175 Cb -0.08 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 3mfs s VAL 175 CO 0.01 -0.08 0.10 0.00 -0.31 0.00 0.00 175.10 174.81 3mfs s ALA 176 N -1.60 3.67 0.00 1.32 0.00 -1.26 -0.85 121.76 123.05 3mfs s ALA 176 Ca 0.21 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.42 3mfs s ALA 176 Cb -0.08 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.29 3mfs s ALA 176 CO 0.11 0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.92 3mfs n GLY 177 N 1.70 2.72 0.87 0.00 0.00 -1.25 -4.94 105.19 104.28 3mfs n GLY 177 Ca -0.17 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3mfs n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mfs n GLY 178 N 0.00 0.00 3.69 -0.02 0.00 -1.26 -4.62 105.19 102.98 3mfs n GLY 178 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3mfs n GLY 178 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mfs s ARG 179 N 0.00 4.20 -0.04 1.61 0.52 -1.26 -5.00 118.95 118.98 3mfs s ARG 179 Ca 0.00 2.33 -0.05 0.00 -0.52 0.00 0.00 55.73 57.48 3mfs s ARG 179 Cb 0.00 -3.51 0.01 0.00 0.52 0.00 0.00 34.95 31.97 3mfs s ARG 179 CO 0.00 -0.70 0.14 0.54 0.02 0.00 0.00 175.30 175.30 3mfs s VAL 180 N 2.35 0.02 0.00 3.52 0.11 -1.26 -5.13 120.40 120.01 3mfs s VAL 180 Ca 0.73 -0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.61 3mfs s VAL 180 Cb -0.40 -0.26 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 3mfs s VAL 180 CO 0.32 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.61 3mfs n GLY 181 N 2.64 0.25 3.29 6.54 0.00 -1.26 -4.94 105.19 111.70 3mfs n GLY 181 Ca -0.15 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.46 3mfs n GLY 181 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mfs s THR 182 N 0.00 3.54 0.31 2.61 2.01 -1.26 -5.01 115.64 117.83 3mfs s THR 182 Ca 0.00 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.25 3mfs s THR 182 Cb 0.00 -2.82 0.38 0.00 0.01 0.00 0.00 72.50 70.07 3mfs s THR 182 CO 0.00 0.13 1.47 -2.65 -0.69 0.00 0.00 174.62 172.88 3mfs n PRO 183 N 4.79 -0.07 -0.08 4.92 -0.02 -1.26 -0.02 135.00 143.26 3mfs n PRO 183 Ca -0.15 1.38 0.16 0.00 -2.02 0.00 0.00 63.50 62.87 3mfs n PRO 183 Cb 0.48 -2.26 0.57 0.00 -0.02 0.00 0.00 33.50 32.27 3mfs n PRO 183 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3mfs h HIS 184 N 0.00 0.30 -0.01 6.00 3.86 -1.95 -2.68 115.15 120.67 3mfs h HIS 184 Ca 0.63 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.85 3mfs h HIS 184 Cb 1.42 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.79 3mfs h HIS 184 CO -0.36 0.12 -0.03 1.19 0.86 0.00 0.00 177.93 179.71 3mfs n PHE 185 N -4.44 0.00 -1.92 2.45 3.01 0.98 -4.77 117.46 112.76 3mfs n PHE 185 Ca 0.11 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.15 3mfs n PHE 185 Cb 0.51 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.95 3mfs n PHE 185 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 3mfs s MET 186 N -0.98 4.21 0.63 -1.08 -1.94 -0.80 -4.19 119.30 115.14 3mfs s MET 186 Ca 0.12 2.38 -0.17 0.00 -1.71 0.00 0.00 55.69 56.31 3mfs s MET 186 Cb 0.09 -3.14 -0.02 0.00 2.01 0.00 0.00 34.83 33.77 3mfs s MET 186 CO 0.16 -0.60 1.13 0.00 -0.01 0.00 0.00 175.02 175.70 3mfs s ALA 187 N 0.99 2.51 0.38 3.03 0.00 -1.26 -4.81 121.76 122.60 3mfs s ALA 187 Ca 0.69 0.70 0.06 0.00 0.00 0.00 0.00 51.96 53.40 3mfs s ALA 187 Cb -0.44 -3.36 0.78 0.00 0.00 0.00 0.00 23.12 20.10 3mfs s ALA 187 CO 0.33 -1.18 2.02 -1.35 0.00 0.00 0.00 175.76 175.59 3mfs h PRO 188 N 0.41 0.66 0.00 0.00 0.11 -1.87 -0.10 132.00 131.21 3mfs h PRO 188 Ca -0.48 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 3mfs h PRO 188 Cb 1.26 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3mfs h PRO 188 CO 0.55 0.44 -0.30 1.05 -0.21 0.00 0.00 178.00 179.52 3mfs h GLU 189 N 0.68 0.00 0.14 1.05 9.09 -1.92 -0.34 114.58 123.28 3mfs h GLU 189 Ca 0.21 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.61 3mfs h GLU 189 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 3mfs h GLU 189 CO -0.05 0.30 -0.07 0.28 0.05 0.00 0.00 179.01 179.52 3mfs h VAL 190 N 0.00 0.98 -0.51 -1.06 2.07 -1.30 -0.82 116.25 115.62 3mfs h VAL 190 Ca -0.00 -1.08 0.10 0.00 0.82 0.00 0.00 66.70 66.54 3mfs h VAL 190 Cb 0.55 1.59 -0.09 0.00 -1.52 0.00 0.00 31.29 31.82 3mfs h VAL 190 CO 0.04 0.23 -0.10 0.58 0.02 0.00 0.00 177.57 178.35 3mfs h VAL 191 N -0.76 0.52 0.00 2.57 2.07 -1.12 -0.23 116.25 119.30 3mfs h VAL 191 Ca -0.02 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3mfs h VAL 191 Cb 0.53 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3mfs h VAL 191 CO 0.03 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.92 3mfs n LYS 192 N -5.33 0.25 -2.49 1.57 5.02 -0.15 -4.87 118.16 112.16 3mfs n LYS 192 Ca 0.05 0.12 -0.14 0.00 -2.02 0.00 0.00 58.31 56.32 3mfs n LYS 192 Cb 0.27 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.79 3mfs n LYS 192 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3mfs n ARG 193 N -1.27 -2.07 -3.29 1.97 1.74 -0.10 -5.03 116.66 108.61 3mfs n ARG 193 Ca 0.08 0.63 -0.26 0.00 -0.77 0.00 0.00 57.85 57.53 3mfs n ARG 193 Cb 0.13 -4.86 -0.02 0.00 -1.02 0.00 0.00 32.46 26.69 3mfs n ARG 193 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3mfs s GLU 194 N -4.96 3.54 0.34 5.56 2.02 -0.33 -4.12 118.70 120.74 3mfs s GLU 194 Ca 0.09 -0.16 -0.28 0.00 0.02 0.00 0.00 54.97 54.64 3mfs s GLU 194 Cb -0.04 -2.63 -0.12 0.00 0.10 0.00 0.00 34.13 31.44 3mfs s GLU 194 CO 0.11 0.14 1.32 -2.30 0.02 0.00 0.00 175.26 174.55 3mfs n PRO 195 N -1.51 2.18 -4.11 0.39 -0.02 -1.26 -3.97 135.00 126.70 3mfs n PRO 195 Ca -0.03 0.77 -0.10 0.00 -2.02 0.00 0.00 63.50 62.11 3mfs n PRO 195 Cb 0.55 -2.37 -0.09 0.00 -0.02 0.00 0.00 33.50 31.57 3mfs n PRO 195 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3mfs s TYR 196 N -1.02 0.80 0.00 6.00 -0.85 -0.03 -4.94 117.35 117.30 3mfs s TYR 196 Ca 0.56 -1.12 0.00 0.00 -0.52 0.00 0.00 57.07 55.99 3mfs s TYR 196 Cb -0.56 -0.35 0.00 0.00 0.38 0.00 0.00 41.96 41.43 3mfs s TYR 196 CO 0.62 -0.64 0.00 0.41 -1.52 0.00 0.00 175.55 174.41 3mfs n GLY 197 N -0.20 4.30 0.37 5.49 0.00 -1.26 -0.48 105.19 113.41 3mfs n GLY 197 Ca -0.03 -0.37 0.15 0.00 0.00 0.00 0.00 46.02 45.76 3mfs n GLY 197 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mfs h LYS 198 N 0.00 0.63 -0.16 1.61 1.57 -1.97 -2.14 116.57 116.11 3mfs h LYS 198 Ca 0.00 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 3mfs h LYS 198 Cb 0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3mfs h LYS 198 CO 0.00 0.42 0.23 -1.35 -0.57 0.00 0.00 179.45 178.18 3mfs h PRO 199 N 0.65 0.00 -0.29 3.15 0.11 -1.93 -1.50 132.00 132.19 3mfs h PRO 199 Ca 0.53 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.62 3mfs h PRO 199 Cb 0.97 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 3mfs h PRO 199 CO -0.29 0.00 0.11 -0.39 -0.21 0.00 0.00 178.00 177.22 3mfs h VAL 200 N 0.00 1.12 -0.13 3.15 -1.51 -1.80 -1.61 116.25 115.47 3mfs h VAL 200 Ca 0.08 -0.37 -0.18 0.00 -1.23 0.00 0.00 66.70 65.00 3mfs h VAL 200 Cb 0.54 0.78 -0.00 0.00 -2.13 0.00 0.00 31.29 30.48 3mfs h VAL 200 CO -0.00 0.14 -0.67 0.44 -1.23 0.00 0.00 177.57 176.25 3mfs h ASP 201 N 0.40 0.60 -0.11 4.19 3.32 -1.46 -2.22 116.42 121.14 3mfs h ASP 201 Ca 0.10 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 3mfs h ASP 201 Cb 0.09 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3mfs h ASP 201 CO -0.01 1.10 0.03 0.58 -1.72 0.00 0.00 179.24 179.22 3mfs h VAL 202 N 0.37 1.19 -0.44 -1.35 2.07 -1.51 -1.69 116.25 114.89 3mfs h VAL 202 Ca -0.02 -0.59 0.09 0.00 0.82 0.00 0.00 66.70 66.99 3mfs h VAL 202 Cb 1.24 1.39 -0.09 0.00 -1.52 0.00 0.00 31.29 32.32 3mfs h VAL 202 CO 0.12 0.17 -0.13 -0.25 0.02 0.00 0.00 177.57 177.51 3mfs h TRP 203 N -0.03 -0.28 -0.41 1.57 2.91 -1.29 0.18 115.95 118.60 3mfs h TRP 203 Ca 0.03 0.04 0.08 0.00 1.13 0.00 0.00 58.89 60.18 3mfs h TRP 203 Cb 0.25 0.19 -0.07 0.00 -0.51 0.00 0.00 29.16 29.01 3mfs h TRP 203 CO 0.01 -0.21 -0.06 0.78 -1.03 0.00 0.00 178.44 177.93 3mfs h GLY 204 N -0.02 0.35 1.31 2.65 0.00 -1.21 0.11 103.07 106.27 3mfs h GLY 204 Ca 0.21 0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.67 3mfs h GLY 204 CO -0.47 -0.14 0.40 0.00 0.00 0.00 0.00 176.54 176.33 3mfs h GLY 206 N 0.71 0.98 0.76 0.00 0.00 0.12 0.14 103.07 105.78 3mfs h GLY 206 Ca 0.24 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3mfs h GLY 206 CO -0.06 0.57 0.00 -2.08 0.00 0.00 0.00 176.54 174.97 3mfs h VAL 207 N 0.86 1.24 -0.46 4.60 2.07 -0.57 -1.83 116.25 122.17 3mfs h VAL 207 Ca 0.18 -0.77 0.09 0.00 0.82 0.00 0.00 66.70 67.02 3mfs h VAL 207 Cb 0.38 1.57 -0.08 0.00 -1.52 0.00 0.00 31.29 31.64 3mfs h VAL 207 CO 0.01 0.22 -0.06 0.40 0.02 0.00 0.00 177.57 178.16 3mfs h ILE 208 N -0.10 0.59 -0.61 4.57 2.04 -1.16 -1.06 117.51 121.79 3mfs h ILE 208 Ca 0.03 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.94 3mfs h ILE 208 Cb 0.34 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 3mfs h ILE 208 CO 0.00 0.01 0.29 0.25 0.00 0.00 0.00 178.15 178.70 3mfs h LEU 209 N 0.05 0.38 -0.34 1.44 5.85 -0.65 0.42 115.31 122.47 3mfs h LEU 209 Ca 0.23 0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.02 3mfs h LEU 209 Cb 0.34 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3mfs h LEU 209 CO -0.43 0.24 0.17 0.15 -0.34 0.00 0.00 178.44 178.24 3mfs h PHE 210 N 0.53 0.32 -0.56 1.25 3.04 -0.66 -1.17 116.94 119.70 3mfs h PHE 210 Ca 0.28 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.23 3mfs h PHE 210 Cb 0.25 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.64 3mfs h PHE 210 CO -0.12 0.17 0.27 0.82 -2.02 0.00 0.00 178.31 177.43 3mfs h ILE 211 N 0.36 1.20 -0.58 1.41 2.04 -0.56 -2.30 117.51 119.08 3mfs h ILE 211 Ca 0.14 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3mfs h ILE 211 Cb 0.05 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 3mfs h ILE 211 CO -0.09 0.23 0.32 -0.07 0.00 0.00 0.00 178.15 178.54 3mfs h LEU 212 N 0.75 0.70 0.00 1.44 3.38 0.30 0.53 115.31 122.40 3mfs h LEU 212 Ca 0.19 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3mfs h LEU 212 Cb 0.12 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3mfs h LEU 212 CO -0.02 0.56 -0.76 -0.07 0.09 0.00 0.00 178.44 178.23 3mfs h LEU 213 N 0.80 0.00 0.00 1.67 3.38 -1.12 -3.42 115.31 116.62 3mfs h LEU 213 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3mfs h LEU 213 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3mfs h LEU 213 CO -0.04 0.11 -0.26 -1.54 0.09 0.00 0.00 178.44 176.80 3mfs n SER 214 N -2.85 1.31 0.00 -0.43 3.41 -0.88 -4.79 113.62 109.39 3mfs n SER 214 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3mfs n SER 214 Cb 0.60 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 3mfs n SER 214 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mfs n GLY 215 N 0.76 0.74 3.79 5.00 0.00 0.18 -4.54 105.19 111.13 3mfs n GLY 215 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3mfs n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mfs s LEU 217 N -2.51 4.39 0.11 0.00 1.43 -1.26 -3.47 118.68 117.37 3mfs s LEU 217 Ca 0.30 1.29 -0.17 0.00 -1.03 0.00 0.00 54.13 54.53 3mfs s LEU 217 Cb -0.12 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 3mfs s LEU 217 CO 0.23 -0.02 1.60 1.55 0.23 0.00 0.00 176.35 179.94 3mfs h PRO 218 N 6.11 0.56 -5.06 1.29 0.13 -1.91 -3.43 132.00 129.68 3mfs h PRO 218 Ca -0.43 -0.14 -0.65 0.00 -0.87 0.00 0.00 66.00 63.91 3mfs h PRO 218 Cb 1.20 -0.07 -0.34 0.00 0.13 0.00 0.00 31.00 31.92 3mfs h PRO 218 CO 0.72 0.62 -0.86 -0.06 -0.23 0.00 0.00 178.00 178.19 3mfs s PHE 219 N -5.26 2.44 0.00 1.56 0.08 -1.26 -4.46 117.98 111.09 3mfs s PHE 219 Ca -0.13 -1.19 0.00 0.00 0.12 0.00 0.00 56.93 55.72 3mfs s PHE 219 Cb 0.09 -1.68 0.00 0.00 -0.57 0.00 0.00 43.02 40.86 3mfs s PHE 219 CO 0.76 -0.56 0.00 2.48 -0.10 0.00 0.00 175.22 177.80 3mfs n TYR 220 N 4.08 -0.35 -1.35 0.36 0.18 -1.26 -4.87 117.16 113.95 3mfs n TYR 220 Ca -0.20 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.58 3mfs n TYR 220 Cb 0.52 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 3mfs n TYR 220 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3mfs n GLY 221 N 0.00 -1.79 3.64 -7.48 0.00 -1.26 -3.04 105.19 95.26 3mfs n GLY 221 Ca 0.00 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 3mfs n GLY 221 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mfs n THR 222 N 0.00 0.00 -0.10 2.61 -2.24 -1.26 -4.63 114.28 108.66 3mfs n THR 222 Ca 0.00 -0.05 0.12 0.00 -2.27 0.00 0.00 64.05 61.85 3mfs n THR 222 Cb 0.00 -0.98 0.49 0.00 -2.10 0.00 0.00 70.33 67.74 3mfs n THR 222 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3mfs h LYS 223 N -1.96 0.43 0.03 -0.78 3.64 -1.99 0.39 116.57 116.33 3mfs h LYS 223 Ca -0.45 -0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 58.63 3mfs h LYS 223 Cb 1.28 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 3mfs h LYS 223 CO 0.41 0.28 -1.55 0.93 -2.27 0.00 0.00 179.45 177.25 3mfs h GLU 224 N 0.44 0.06 -0.63 1.90 4.39 -1.96 -2.05 114.58 116.73 3mfs h GLU 224 Ca 0.30 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.83 3mfs h GLU 224 Cb 0.57 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 3mfs h GLU 224 CO -0.09 0.76 0.16 -0.09 -1.16 0.00 0.00 179.01 178.59 3mfs h ARG 225 N 0.02 1.02 -0.10 2.33 9.65 -1.79 -1.18 114.38 124.32 3mfs h ARG 225 Ca -0.23 -0.24 0.03 0.00 -1.10 0.00 0.00 59.98 58.44 3mfs h ARG 225 Cb 1.96 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 30.37 3mfs h ARG 225 CO 0.10 0.92 -0.12 1.25 2.80 0.00 0.00 179.97 184.92 3mfs h LEU 226 N 0.94 -0.37 -0.51 3.80 5.85 -0.84 -0.37 115.31 123.80 3mfs h LEU 226 Ca 0.20 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.90 3mfs h LEU 226 Cb 0.36 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3mfs h LEU 226 CO 0.00 -0.16 -0.03 -0.26 -0.34 0.00 0.00 178.44 177.65 3mfs h PHE 227 N -0.15 1.02 -0.43 1.25 0.05 -1.29 -1.85 116.94 115.54 3mfs h PHE 227 Ca 0.08 -0.19 0.07 0.00 3.82 0.00 0.00 57.97 61.75 3mfs h PHE 227 Cb 0.27 -0.26 -0.06 0.00 2.00 0.00 0.00 35.95 37.90 3mfs h PHE 227 CO -0.23 0.96 0.09 0.93 -0.18 0.00 0.00 178.31 179.87 3mfs h GLU 228 N 0.80 0.21 -0.29 1.51 5.08 -1.07 -1.16 114.58 119.66 3mfs h GLU 228 Ca 0.14 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3mfs h GLU 228 Cb 0.57 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 3mfs h GLU 228 CO 0.03 0.14 0.00 0.78 -1.00 0.00 0.00 179.01 178.97 3mfs h GLY 229 N 0.22 0.28 0.94 -3.84 0.00 -0.73 -1.48 103.07 98.46 3mfs h GLY 229 Ca 0.21 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 3mfs h GLY 229 CO -0.28 -0.06 0.10 -2.22 0.00 0.00 0.00 176.54 174.09 3mfs h ILE 230 N 0.09 1.11 -0.99 2.60 2.04 -1.12 -0.10 117.51 121.15 3mfs h ILE 230 Ca 0.14 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.74 3mfs h ILE 230 Cb 0.18 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 3mfs h ILE 230 CO -0.23 0.11 0.64 0.40 0.00 0.00 0.00 178.15 179.07 3mfs h ILE 231 N 0.19 1.12 0.00 -0.67 2.04 -1.05 -1.11 117.51 118.03 3mfs h ILE 231 Ca 0.07 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3mfs h ILE 231 Cb 0.08 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 35.98 3mfs h ILE 231 CO -0.01 0.22 -0.04 0.29 0.00 0.00 0.00 178.15 178.60 3mfs n LYS 232 N -4.49 0.25 -1.20 2.37 4.01 -0.57 -4.93 118.16 113.60 3mfs n LYS 232 Ca 0.14 0.20 -0.07 0.00 -0.51 0.00 0.00 58.31 58.07 3mfs n LYS 232 Cb 0.15 -1.79 -0.03 0.00 -0.51 0.00 0.00 35.03 32.85 3mfs n LYS 232 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3mfs n GLY 233 N 1.32 0.69 3.72 0.72 0.00 -0.06 -4.95 105.19 106.62 3mfs n GLY 233 Ca 0.05 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3mfs n GLY 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mfs s LYS 234 N -2.44 4.20 0.25 1.61 1.02 -1.17 -4.95 119.74 118.27 3mfs s LYS 234 Ca 0.00 -0.11 0.02 0.00 0.02 0.00 0.00 55.97 55.89 3mfs s LYS 234 Cb 0.00 -3.44 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 3mfs s LYS 234 CO 0.00 0.25 0.08 1.52 -0.92 0.00 0.00 175.35 176.28 3mfs s TYR 235 N 0.48 1.54 -0.16 3.18 1.13 -1.26 -4.81 117.35 117.45 3mfs s TYR 235 Ca 0.11 -1.13 -0.02 0.00 -1.41 0.00 0.00 57.07 54.62 3mfs s TYR 235 Cb -0.12 -0.91 -0.02 0.00 -1.10 0.00 0.00 41.96 39.81 3mfs s TYR 235 CO 0.01 -0.28 -0.08 0.15 -2.51 0.00 0.00 175.55 172.84 3mfs s LYS 236 N -4.00 3.48 -1.09 -3.49 1.02 -1.26 -5.05 119.74 109.35 3mfs s LYS 236 Ca 0.36 -0.62 -0.10 0.00 0.02 0.00 0.00 55.97 55.64 3mfs s LYS 236 Cb 0.08 -2.81 0.27 0.00 -0.52 0.00 0.00 37.83 34.85 3mfs s LYS 236 CO 0.12 0.14 1.09 -1.64 -0.92 0.00 0.00 175.35 174.14 3mfs s MET 237 N 0.59 4.16 -0.38 1.68 -1.94 -1.26 -4.93 119.30 117.22 3mfs s MET 237 Ca -0.05 -3.16 -0.38 0.00 -1.71 0.00 0.00 55.69 50.39 3mfs s MET 237 Cb -0.15 -4.56 -0.14 0.00 2.01 0.00 0.00 34.83 32.00 3mfs s MET 237 CO 0.03 -1.25 2.14 -1.71 -0.01 0.00 0.00 175.02 174.22 3mfs n ASN 238 N 2.83 1.77 0.29 3.03 4.05 -1.26 -4.79 115.26 121.19 3mfs n ASN 238 Ca 0.23 0.53 0.16 0.00 0.45 0.00 0.00 54.58 55.96 3mfs n ASN 238 Cb 0.40 -1.15 0.93 0.00 1.23 0.00 0.00 39.78 41.18 3mfs n ASN 238 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3mfs h PRO 239 N 11.08 0.00 -1.06 1.20 0.13 -1.95 -2.44 132.00 138.96 3mfs h PRO 239 Ca -0.24 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.18 3mfs h PRO 239 Cb 1.35 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.37 3mfs h PRO 239 CO 1.03 0.00 0.66 -0.09 -0.23 0.00 0.00 178.00 179.37 3mfs h ARG 240 N 0.00 0.39 0.00 0.86 2.43 -2.02 -2.13 114.38 113.92 3mfs h ARG 240 Ca 0.01 -0.02 -0.39 0.00 -0.81 0.00 0.00 59.98 58.77 3mfs h ARG 240 Cb 0.06 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.46 3mfs h ARG 240 CO -0.00 0.26 -2.40 1.04 -1.51 0.00 0.00 179.97 177.36 3mfs n GLN 241 N -4.75 0.59 0.21 0.20 3.00 -0.96 -4.75 117.38 110.92 3mfs n GLN 241 Ca 0.28 0.17 0.09 0.00 -0.01 0.00 0.00 57.00 57.53 3mfs n GLN 241 Cb 0.91 -1.46 0.29 0.00 0.00 0.00 0.00 30.24 29.98 3mfs n GLN 241 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 3mfs h TRP 242 N -0.30 0.00 0.00 1.08 4.06 -1.28 -3.01 115.95 116.49 3mfs h TRP 242 Ca -0.58 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.37 3mfs h TRP 242 Cb 1.75 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.91 3mfs h TRP 242 CO -0.01 0.22 -0.02 0.66 -3.56 0.00 0.00 178.44 175.73 3mfs h SER 243 N 0.00 0.00 1.12 -3.49 4.64 -1.66 -0.68 113.55 113.49 3mfs h SER 243 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mfs h SER 243 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3mfs h SER 243 CO 0.03 0.02 -0.62 0.45 -0.87 0.00 0.00 176.83 175.84 3mfs h HIS 244 N 0.00 0.00 -3.38 4.77 3.86 -1.78 -3.47 115.15 115.16 3mfs h HIS 244 Ca -0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 3mfs h HIS 244 Cb 0.12 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.55 3mfs h HIS 244 CO 0.00 0.00 0.09 0.42 0.86 0.00 0.00 177.93 179.30 3mfs s ILE 245 N -3.24 4.84 0.81 2.45 -1.09 -0.26 -5.05 121.20 119.66 3mfs s ILE 245 Ca 0.04 1.47 -0.12 0.00 -2.23 0.00 0.00 60.65 59.81 3mfs s ILE 245 Cb 0.11 -4.04 0.08 0.00 -1.58 0.00 0.00 42.46 37.03 3mfs s ILE 245 CO 0.73 0.36 1.16 -0.94 -1.23 0.00 0.00 174.94 175.02 3mfs s SER 246 N 0.05 3.79 0.18 3.58 1.04 -1.26 -4.86 113.70 116.22 3mfs s SER 246 Ca 0.36 2.17 -0.08 0.00 0.48 0.00 0.00 55.95 58.88 3mfs s SER 246 Cb -0.19 -2.57 0.06 0.00 0.10 0.00 0.00 66.02 63.43 3mfs s SER 246 CO 0.20 -2.52 1.59 -0.33 0.98 0.00 0.00 173.24 173.16 3mfs h GLU 247 N -1.06 0.96 -0.66 4.02 4.39 -1.96 -1.91 114.58 118.37 3mfs h GLU 247 Ca -0.45 -0.39 0.08 0.00 0.34 0.00 0.00 59.36 58.95 3mfs h GLU 247 Cb 1.27 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.81 3mfs h GLU 247 CO 0.47 1.05 0.32 1.03 -1.16 0.00 0.00 179.01 180.72 3mfs h SER 248 N 0.84 0.41 -0.10 1.42 0.87 -1.93 0.67 113.55 115.74 3mfs h SER 248 Ca 0.12 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3mfs h SER 248 Cb 0.74 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.68 3mfs h SER 248 CO 0.06 0.25 0.03 0.00 -0.53 0.00 0.00 176.83 176.64 3mfs h ALA 249 N 1.40 0.12 -0.57 6.23 0.00 -1.85 -2.61 119.26 121.99 3mfs h ALA 249 Ca 0.32 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3mfs h ALA 249 Cb 0.32 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3mfs h ALA 249 CO -0.25 -0.28 0.38 0.87 0.00 0.00 0.00 179.25 179.97 3mfs h LYS 250 N -0.02 0.69 -0.57 0.00 1.57 -0.81 -2.11 116.57 115.31 3mfs h LYS 250 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3mfs h LYS 250 Cb 0.19 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3mfs h LYS 250 CO -0.00 0.46 0.36 0.22 -0.57 0.00 0.00 179.45 179.92 3mfs h ASP 251 N 0.71 0.68 -0.25 0.86 1.82 0.50 -1.99 116.42 118.75 3mfs h ASP 251 Ca 0.22 -0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.80 3mfs h ASP 251 Cb 0.00 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 39.83 3mfs h ASP 251 CO -0.05 0.51 0.10 0.25 -1.61 0.00 0.00 179.24 178.44 3mfs h LEU 252 N 0.78 0.35 -0.35 2.28 6.46 -1.07 -2.28 115.31 121.47 3mfs h LEU 252 Ca 0.21 -0.17 0.08 0.00 -0.12 0.00 0.00 57.88 57.88 3mfs h LEU 252 Cb -0.05 -0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 39.70 3mfs h LEU 252 CO -0.04 0.43 -0.23 0.58 -0.62 0.00 0.00 178.44 178.56 3mfs h VAL 253 N 0.26 0.38 -0.75 1.05 2.07 -1.25 0.11 116.25 118.12 3mfs h VAL 253 Ca 0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.64 3mfs h VAL 253 Cb 0.19 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 3mfs h VAL 253 CO -0.01 0.00 0.47 0.03 0.02 0.00 0.00 177.57 178.08 3mfs h ARG 254 N -0.18 0.87 -0.47 1.57 3.08 -1.27 0.47 114.38 118.45 3mfs h ARG 254 Ca 0.18 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 3mfs h ARG 254 Cb 0.45 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3mfs h ARG 254 CO -0.46 0.58 -0.08 0.00 -1.07 0.00 0.00 179.97 178.93 3mfs h ARG 255 N 0.90 0.84 0.00 0.04 3.08 -0.81 -1.93 114.38 116.51 3mfs h ARG 255 Ca 0.31 -0.28 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 3mfs h ARG 255 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3mfs h ARG 255 CO -0.13 0.90 -0.62 0.52 -1.07 0.00 0.00 179.97 179.57 3mfs h MET 256 N 0.77 0.00 -0.77 0.04 2.86 -0.37 -2.89 114.93 114.56 3mfs h MET 256 Ca 0.13 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.39 3mfs h MET 256 Cb 0.58 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 32.02 3mfs h MET 256 CO 0.04 0.62 0.39 1.28 1.06 0.00 0.00 176.91 180.30 3mfs n LEU 257 N -3.58 5.88 -4.73 1.22 4.77 0.12 -3.71 117.00 116.97 3mfs n LEU 257 Ca -0.00 -3.60 -0.42 0.00 -0.03 0.00 0.00 56.01 51.96 3mfs n LEU 257 Cb 0.67 -0.77 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 3mfs n LEU 257 CO 0.42 1.07 1.09 -0.32 -1.33 0.00 0.00 177.39 178.32 3mfs s MET 258 N -3.24 4.30 0.06 3.23 1.75 -0.74 -4.94 119.30 119.72 3mfs s MET 258 Ca 0.53 2.19 -0.27 0.00 -1.25 0.00 0.00 55.69 56.90 3mfs s MET 258 Cb 0.45 -3.17 -0.17 0.00 2.84 0.00 0.00 34.83 34.78 3mfs s MET 258 CO 0.08 -0.41 1.58 1.25 -0.65 0.00 0.00 175.02 176.87 3mfs h LEU 259 N 5.85 -0.29 -8.96 4.11 6.46 -1.92 -3.42 115.31 117.15 3mfs h LEU 259 Ca -0.44 -0.06 -0.57 0.00 -0.12 0.00 0.00 57.88 56.69 3mfs h LEU 259 Cb 1.21 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 41.16 3mfs h LEU 259 CO 0.82 -0.12 0.92 -0.62 -0.62 0.00 0.00 178.44 178.82 3mfs s ASP 260 N -4.98 6.79 0.00 1.25 2.15 -1.26 -4.77 116.67 115.85 3mfs s ASP 260 Ca -0.15 1.15 0.08 0.00 0.43 0.00 0.00 52.55 54.06 3mfs s ASP 260 Cb 0.04 -2.54 0.39 0.00 -0.30 0.00 0.00 42.92 40.51 3mfs s ASP 260 CO 0.63 -0.99 1.08 -0.81 -0.17 0.00 0.00 175.17 174.91 3mfs n PRO 261 N 7.12 0.13 0.09 4.34 -0.04 -1.26 -1.22 135.00 144.15 3mfs n PRO 261 Ca 0.13 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 3mfs n PRO 261 Cb 0.47 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.55 3mfs n PRO 261 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mfs h ALA 262 N 2.38 0.60 0.00 0.55 0.00 -1.95 -3.39 119.26 117.44 3mfs h ALA 262 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3mfs h ALA 262 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3mfs h ALA 262 CO 0.00 0.00 -1.47 0.39 0.00 0.00 0.00 179.25 178.17 3mfs n GLU 263 N -2.40 1.60 -1.57 0.00 -0.58 -0.35 -5.00 120.64 112.34 3mfs n GLU 263 Ca 0.02 -0.04 -0.44 0.00 -0.42 0.00 0.00 57.16 56.29 3mfs n GLU 263 Cb 0.49 -1.20 -0.01 0.00 -0.57 0.00 0.00 31.44 30.14 3mfs n GLU 263 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3mfs n ARG 264 N -2.07 1.22 -1.80 3.49 0.63 -0.67 -4.92 116.66 112.56 3mfs n ARG 264 Ca -0.08 0.43 -0.39 0.00 -0.92 0.00 0.00 57.85 56.90 3mfs n ARG 264 Cb 0.51 -1.80 0.03 0.00 0.45 0.00 0.00 32.46 31.65 3mfs n ARG 264 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 3mfs s ILE 265 N -1.12 2.09 0.71 5.15 2.07 -1.10 -5.01 121.20 123.99 3mfs s ILE 265 Ca 0.60 0.07 -0.06 0.00 -1.41 0.00 0.00 60.65 59.85 3mfs s ILE 265 Cb -0.68 -3.04 0.07 0.00 0.13 0.00 0.00 42.46 38.94 3mfs s ILE 265 CO 0.59 0.00 1.01 0.42 -1.91 0.00 0.00 174.94 175.06 3mfs s THR 266 N -1.28 2.28 0.18 4.00 -4.23 -1.26 -4.89 115.64 110.44 3mfs s THR 266 Ca 0.69 -0.30 -0.13 0.00 -1.18 0.00 0.00 61.69 60.76 3mfs s THR 266 Cb -0.41 -2.98 0.07 0.00 1.34 0.00 0.00 72.50 70.52 3mfs s THR 266 CO 0.50 0.00 1.83 0.58 -0.54 0.00 0.00 174.62 176.98 3mfs h VAL 267 N -0.60 1.09 -0.35 2.29 2.07 -1.95 -0.58 116.25 118.21 3mfs h VAL 267 Ca -0.44 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3mfs h VAL 267 Cb 1.31 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3mfs h VAL 267 CO 0.58 0.12 0.13 1.88 0.02 0.00 0.00 177.57 180.30 3mfs h TYR 268 N 0.67 0.54 -0.55 1.57 -1.99 -1.94 -1.19 116.97 114.07 3mfs h TYR 268 Ca 0.21 -0.04 -0.06 0.00 2.00 0.00 0.00 58.73 60.83 3mfs h TYR 268 Cb -0.02 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 38.53 3mfs h TYR 268 CO -0.05 0.50 0.10 0.93 -0.00 0.00 0.00 178.16 179.64 3mfs h GLU 269 N 0.42 0.87 -0.58 4.88 5.08 -1.92 -2.79 114.58 120.54 3mfs h GLU 269 Ca 0.12 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3mfs h GLU 269 Cb 0.20 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3mfs h GLU 269 CO -0.01 0.81 0.32 0.00 -1.00 0.00 0.00 179.01 179.13 3mfs h ALA 270 N 1.27 0.75 0.00 3.43 0.00 -0.68 -1.90 119.26 122.12 3mfs h ALA 270 Ca 0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3mfs h ALA 270 Cb 0.36 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3mfs h ALA 270 CO 0.01 0.26 -0.15 -0.07 0.00 0.00 0.00 179.25 179.30 3mfs h LEU 271 N 0.79 0.00 -0.19 0.00 3.38 -1.12 -1.57 115.31 116.60 3mfs h LEU 271 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3mfs h LEU 271 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3mfs h LEU 271 CO -0.03 0.15 -0.22 0.59 0.09 0.00 0.00 178.44 179.02 3mfs n ASN 272 N -3.55 0.51 -4.74 -0.43 4.13 -0.85 -3.88 115.26 106.46 3mfs n ASN 272 Ca -0.01 -0.39 -0.41 0.00 1.68 0.00 0.00 54.58 55.44 3mfs n ASN 272 Cb 0.29 -0.02 -0.03 0.00 -1.54 0.00 0.00 39.78 38.48 3mfs n ASN 272 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 3mfs s HIS 273 N -2.69 3.07 0.31 3.10 2.46 -0.59 -4.76 115.29 116.19 3mfs s HIS 273 Ca 0.21 1.01 0.07 0.00 0.47 0.00 0.00 55.06 56.82 3mfs s HIS 273 Cb 0.19 -3.79 0.82 0.00 -0.13 0.00 0.00 32.58 29.67 3mfs s HIS 273 CO 0.55 -2.61 1.71 -1.35 -2.47 0.00 0.00 174.74 170.56 3mfs h PRO 274 N 5.35 0.46 0.00 2.88 0.11 -1.91 0.89 132.00 139.78 3mfs h PRO 274 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3mfs h PRO 274 Cb 1.22 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3mfs h PRO 274 CO 0.79 0.30 -0.04 2.35 -0.21 0.00 0.00 178.00 181.19 3mfs h TRP 275 N 0.47 0.00 0.00 0.65 7.01 -1.87 0.31 115.95 122.51 3mfs h TRP 275 Ca 0.61 0.00 -0.34 0.00 2.11 0.00 0.00 58.89 61.27 3mfs h TRP 275 Cb 1.17 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 28.17 3mfs h TRP 275 CO -0.08 0.04 -2.28 1.28 -2.79 0.00 0.00 178.44 174.62 3mfs n LEU 276 N -3.38 2.96 0.07 0.65 4.77 -0.41 -4.20 117.00 117.46 3mfs n LEU 276 Ca -0.02 -0.11 -0.15 0.00 -0.03 0.00 0.00 56.01 55.70 3mfs n LEU 276 Cb 0.17 -0.78 -0.06 0.00 -2.33 0.00 0.00 43.42 40.41 3mfs n LEU 276 CO 0.26 0.87 0.14 0.50 -1.33 0.00 0.00 177.39 177.83 3mfs h LYS 277 N -0.01 0.43 -2.13 3.23 3.64 -0.76 -3.35 116.57 117.62 3mfs h LYS 277 Ca -0.50 -0.49 -0.58 0.00 -1.27 0.00 0.00 60.65 57.81 3mfs h LYS 277 Cb 1.77 0.15 -0.41 0.00 -0.41 0.00 0.00 32.23 33.33 3mfs h LYS 277 CO -0.08 1.15 -0.79 0.39 -2.27 0.00 0.00 179.45 177.85 3mfs n GLU 278 N -3.74 1.97 0.11 1.90 1.02 0.08 -4.92 120.64 117.07 3mfs n GLU 278 Ca -0.08 -4.18 -0.01 0.00 -0.02 0.00 0.00 57.16 52.87 3mfs n GLU 278 Cb 0.87 -1.91 0.24 0.00 -0.02 0.00 0.00 31.44 30.62 3mfs n GLU 278 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 3mfs h ARG 279 N 3.89 0.21 0.00 3.49 0.11 -1.71 0.19 114.38 120.56 3mfs h ARG 279 Ca 0.15 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 60.13 3mfs h ARG 279 Cb 0.73 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.80 3mfs h ARG 279 CO 0.70 0.58 0.00 -0.44 0.10 0.00 0.00 179.97 180.91 3mfs h ASP 280 N 0.18 0.00 0.00 0.08 3.45 -1.91 -2.05 116.42 116.17 3mfs h ASP 280 Ca 0.02 0.00 -0.19 0.00 0.43 0.00 0.00 57.03 57.29 3mfs h ASP 280 Cb 0.79 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.52 3mfs h ASP 280 CO 0.06 0.00 -1.67 -1.14 -1.57 0.00 0.00 179.24 174.92 3mfs n ARG 281 N -2.50 0.27 -0.03 3.56 0.63 -0.95 -4.88 116.66 112.77 3mfs n ARG 281 Ca -0.01 0.09 -0.03 0.00 -0.92 0.00 0.00 57.85 56.98 3mfs n ARG 281 Cb 0.12 -1.10 -0.13 0.00 0.45 0.00 0.00 32.46 31.80 3mfs n ARG 281 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3mfs n TYR 282 N -3.16 0.49 -3.17 -0.14 4.02 0.62 -4.88 117.16 110.94 3mfs n TYR 282 Ca -0.22 0.17 -0.39 0.00 -0.01 0.00 0.00 57.90 57.45 3mfs n TYR 282 Cb 0.70 -0.98 -0.05 0.00 -0.02 0.00 0.00 39.34 38.98 3mfs n TYR 282 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3mfs s ALA 283 N -2.81 3.41 0.83 -0.72 0.00 -0.77 -4.81 121.76 116.89 3mfs s ALA 283 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.79 3mfs s ALA 283 Cb 0.08 -2.80 0.10 0.00 0.00 0.00 0.00 23.12 20.50 3mfs s ALA 283 CO 0.83 -0.01 1.13 0.71 0.00 0.00 0.00 175.76 178.42 3mfs s TYR 284 N 0.54 2.07 0.00 0.00 4.12 -1.26 -4.55 117.35 118.27 3mfs s TYR 284 Ca 0.32 1.68 0.00 0.00 0.02 0.00 0.00 57.07 59.09 3mfs s TYR 284 Cb -0.17 -3.23 0.00 0.00 -1.52 0.00 0.00 41.96 37.04 3mfs s TYR 284 CO 0.15 -2.35 0.71 1.63 0.02 0.00 0.00 175.55 175.72 3mfs n LYS 285 N -3.75 1.35 -2.72 -0.62 5.02 -1.26 -1.81 118.16 114.37 3mfs n LYS 285 Ca 0.11 -0.97 -0.33 0.00 -2.02 0.00 0.00 58.31 55.10 3mfs n LYS 285 Cb 0.52 -0.83 -0.06 0.00 -0.02 0.00 0.00 35.03 34.64 3mfs n LYS 285 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3mfs s ILE 286 N -0.51 4.29 0.40 -0.18 -4.36 -1.26 -4.83 121.20 114.75 3mfs s ILE 286 Ca 0.00 1.39 -0.26 0.00 -0.26 0.00 0.00 60.65 61.52 3mfs s ILE 286 Cb 0.00 -3.58 -0.09 0.00 1.25 0.00 0.00 42.46 40.04 3mfs s ILE 286 CO 0.00 -0.34 1.26 -2.28 0.24 0.00 0.00 174.94 173.82 3mfs s HIS 287 N -2.19 2.93 -0.91 1.37 5.65 -1.26 -4.13 115.29 116.75 3mfs s HIS 287 Ca 0.63 1.46 -0.02 0.00 0.25 0.00 0.00 55.06 57.38 3mfs s HIS 287 Cb -0.10 -3.58 0.24 0.00 -1.18 0.00 0.00 32.58 27.95 3mfs s HIS 287 CO 0.16 -1.81 0.87 1.28 -0.65 0.00 0.00 174.74 174.60 3mfs n LEU 288 N 0.18 4.47 -0.28 8.88 4.77 -0.30 -4.94 117.00 129.77 3mfs n LEU 288 Ca 0.04 -5.17 0.02 0.00 -0.03 0.00 0.00 56.01 50.87 3mfs n LEU 288 Cb 0.44 -1.10 0.23 0.00 -2.33 0.00 0.00 43.42 40.67 3mfs n LEU 288 CO 0.54 1.62 1.25 -0.65 -1.33 0.00 0.00 177.39 178.82 3mfs h PRO 289 N 5.78 1.03 -0.18 3.23 0.11 -1.94 -1.57 132.00 138.45 3mfs h PRO 289 Ca 0.17 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 66.03 3mfs h PRO 289 Cb 0.78 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 3mfs h PRO 289 CO 0.91 0.68 -0.64 0.93 -0.21 0.00 0.00 178.00 179.67 3mfs h GLU 290 N 1.06 0.67 -0.10 1.05 4.39 -1.92 -0.40 114.58 119.33 3mfs h GLU 290 Ca 0.35 -0.47 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 3mfs h GLU 290 Cb 0.07 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3mfs h GLU 290 CO -0.11 1.09 0.04 1.15 -1.16 0.00 0.00 179.01 180.02 3mfs h THR 291 N 0.49 1.14 -0.96 1.13 2.02 -1.74 -0.66 112.91 114.33 3mfs h THR 291 Ca -0.01 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.79 3mfs h THR 291 Cb 1.23 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 68.80 3mfs h THR 291 CO 0.13 0.12 0.63 0.58 0.37 0.00 0.00 175.52 177.35 3mfs h VAL 292 N 0.02 1.21 -0.25 3.16 2.07 -1.27 0.19 116.25 121.38 3mfs h VAL 292 Ca 0.03 -0.43 -0.12 0.00 0.82 0.00 0.00 66.70 67.00 3mfs h VAL 292 Cb 0.15 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 3mfs h VAL 292 CO -0.00 0.23 -0.36 -0.33 0.02 0.00 0.00 177.57 177.13 3mfs h GLU 293 N 1.26 0.55 -0.25 1.57 4.39 -0.91 -0.96 114.58 120.23 3mfs h GLU 293 Ca 0.36 -0.26 -0.14 0.00 0.34 0.00 0.00 59.36 59.67 3mfs h GLU 293 Cb -0.08 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 3mfs h GLU 293 CO -0.10 0.83 -0.40 1.96 -1.16 0.00 0.00 179.01 180.14 3mfs h GLN 294 N 0.46 0.71 -0.90 2.33 1.08 -0.65 -2.80 115.11 115.35 3mfs h GLN 294 Ca 0.05 -0.43 0.07 0.00 -1.45 0.00 0.00 58.65 56.89 3mfs h GLN 294 Cb 0.84 0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 28.25 3mfs h GLN 294 CO 0.07 1.05 0.58 -0.07 -0.95 0.00 0.00 178.83 179.52 3mfs h LEU 295 N 0.43 0.88 -0.32 1.46 3.38 -0.55 0.16 115.31 120.76 3mfs h LEU 295 Ca 0.02 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3mfs h LEU 295 Cb 1.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3mfs h LEU 295 CO 0.09 0.55 0.18 -0.09 0.09 0.00 0.00 178.44 179.26 3mfs h ARG 296 N 0.99 0.36 -0.51 1.13 2.43 -1.05 0.26 114.38 117.99 3mfs h ARG 296 Ca 0.39 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.47 3mfs h ARG 296 Cb 0.24 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3mfs h ARG 296 CO -0.15 0.23 0.04 0.87 -1.51 0.00 0.00 179.97 179.46 3mfs h LYS 297 N 0.37 0.87 -0.72 0.20 1.57 -1.15 -1.73 116.57 115.98 3mfs h LYS 297 Ca 0.13 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3mfs h LYS 297 Cb 0.01 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 3mfs h LYS 297 CO -0.07 0.88 0.47 0.35 -0.57 0.00 0.00 179.45 180.52 3mfs h PHE 298 N 0.74 0.89 -0.16 -1.35 3.57 -0.38 -2.37 116.94 117.89 3mfs h PHE 298 Ca 0.15 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.54 3mfs h PHE 298 Cb 0.46 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3mfs h PHE 298 CO 0.03 0.55 -0.48 -0.91 -2.23 0.00 0.00 178.31 175.27 3mfs h ASN 299 N 0.95 0.43 -0.26 0.41 2.35 -0.30 -2.45 115.58 116.71 3mfs h ASN 299 Ca 0.27 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3mfs h ASN 299 Cb -0.08 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 3mfs h ASN 299 CO -0.07 0.85 0.08 0.00 -1.65 0.00 0.00 177.43 176.64 3mfs h ALA 300 N 1.17 0.35 -0.68 -0.83 0.00 -1.08 -1.28 119.26 116.91 3mfs h ALA 300 Ca 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3mfs h ALA 300 Cb 0.96 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3mfs h ALA 300 CO 0.08 -0.02 0.41 0.00 0.00 0.00 0.00 179.25 179.72 3mfs h ARG 301 N 0.26 0.93 -0.27 0.00 2.47 -1.40 -2.11 114.38 114.26 3mfs h ARG 301 Ca 0.08 -0.08 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 3mfs h ARG 301 Cb 0.25 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 3mfs h ARG 301 CO -0.00 0.66 0.14 0.00 0.56 0.00 0.00 179.97 181.33 3mfs h ARG 302 N 0.93 0.29 0.00 0.04 3.08 -1.33 -2.93 114.38 114.46 3mfs h ARG 302 Ca 0.24 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3mfs h ARG 302 Cb -0.03 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3mfs h ARG 302 CO -0.05 0.19 0.00 1.17 -1.07 0.00 0.00 179.97 180.21 3mfs n LYS 303 N -4.96 0.24 0.01 0.04 4.81 -0.49 -2.30 118.16 115.51 3mfs n LYS 303 Ca -0.02 0.25 -0.18 0.00 -0.87 0.00 0.00 58.31 57.50 3mfs n LYS 303 Cb 0.06 -1.81 -0.07 0.00 0.02 0.00 0.00 35.03 33.22 3mfs n LYS 303 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 3mfs h LEU 304 N 0.00 0.87 -8.34 3.14 3.38 -1.26 -3.41 115.31 109.70 3mfs h LEU 304 Ca 0.00 -0.63 -0.56 0.00 0.09 0.00 0.00 57.88 56.79 3mfs h LEU 304 Cb 0.66 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 3mfs h LEU 304 CO 0.00 1.42 1.00 -0.54 0.09 0.00 0.00 178.44 180.41 3mfs s LYS 305 N -3.55 3.19 0.00 1.13 1.02 -0.97 -5.12 119.74 115.43 3mfs s LYS 305 Ca -0.09 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.54 3mfs s LYS 305 Cb 0.08 -4.22 0.00 0.00 -0.52 0.00 0.00 37.83 33.17 3mfs s LYS 305 CO 0.90 -2.10 0.00 0.41 -0.92 0.00 0.00 175.35 173.64