#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhf s THR 3 N 0.00 4.93 -0.06 1.39 -1.32 -1.26 -5.05 115.64 114.27 3mhf s THR 3 Ca 0.00 -3.69 0.02 0.00 -1.21 0.00 0.00 61.69 56.81 3mhf s THR 3 Cb 0.00 -4.02 -0.03 0.00 -1.51 0.00 0.00 72.50 66.94 3mhf s THR 3 CO 0.00 -1.12 -0.09 -0.76 -2.21 0.00 0.00 174.62 170.44 3mhf s LEU 4 N -1.28 3.03 1.05 9.08 1.43 -1.26 -5.11 118.68 125.62 3mhf s LEU 4 Ca 0.28 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.18 3mhf s LEU 4 Cb -0.08 -1.65 0.22 0.00 0.03 0.00 0.00 46.19 44.71 3mhf s LEU 4 CO -0.11 0.35 1.07 0.42 0.23 0.00 0.00 176.35 178.32 3mhf s THR 5 N -0.77 2.16 0.15 5.49 -4.23 -1.26 -4.76 115.64 112.42 3mhf s THR 5 Ca 0.12 0.05 -0.17 0.00 -1.18 0.00 0.00 61.69 60.51 3mhf s THR 5 Cb -0.11 -2.30 0.02 0.00 1.34 0.00 0.00 72.50 71.45 3mhf s THR 5 CO 0.01 -0.07 1.73 -0.08 -0.54 0.00 0.00 174.62 175.67 3mhf h GLU 6 N -2.17 0.16 -0.14 3.99 4.81 -1.99 -0.75 114.58 118.50 3mhf h GLU 6 Ca -0.56 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 58.50 3mhf h GLU 6 Cb 1.32 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 3mhf h GLU 6 CO 0.52 0.11 -0.61 -0.91 -0.73 0.00 0.00 179.01 177.39 3mhf h ASN 7 N 0.17 0.53 -0.56 1.04 2.35 -1.92 -2.15 115.58 115.03 3mhf h ASN 7 Ca 0.16 -0.30 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 3mhf h ASN 7 Cb 0.18 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3mhf h ASN 7 CO -0.21 1.01 0.08 0.11 -1.65 0.00 0.00 177.43 176.76 3mhf h LYS 8 N 0.35 0.98 -0.30 0.81 1.57 -1.70 -1.63 116.57 116.65 3mhf h LYS 8 Ca -0.01 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 3mhf h LYS 8 Cb 1.15 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 3mhf h LYS 8 CO 0.11 0.92 0.12 -0.09 -0.57 0.00 0.00 179.45 179.93 3mhf h ARG 9 N 0.92 0.46 -0.68 3.15 2.43 -1.04 0.26 114.38 119.88 3mhf h ARG 9 Ca 0.18 -0.09 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 3mhf h ARG 9 Cb 0.43 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.85 3mhf h ARG 9 CO 0.01 0.48 0.38 0.87 -1.51 0.00 0.00 179.97 180.20 3mhf h LYS 10 N 0.34 0.68 -0.38 0.20 1.57 -1.22 0.10 116.57 117.86 3mhf h LYS 10 Ca 0.10 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3mhf h LYS 10 Cb 0.19 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3mhf h LYS 10 CO -0.01 0.45 0.12 0.77 -0.57 0.00 0.00 179.45 180.21 3mhf h SER 11 N 0.70 0.55 -0.90 0.86 0.02 -1.08 -1.87 113.55 111.82 3mhf h SER 11 Ca 0.30 -0.20 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 3mhf h SER 11 Cb 0.19 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 3mhf h SER 11 CO -0.18 0.60 0.57 0.24 -1.14 0.00 0.00 176.83 176.92 3mhf h MET 12 N 0.46 1.00 -0.76 3.45 2.86 -0.33 -1.88 114.93 119.74 3mhf h MET 12 Ca 0.12 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3mhf h MET 12 Cb 0.25 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 3mhf h MET 12 CO -0.00 0.66 0.36 0.93 1.06 0.00 0.00 176.91 179.91 3mhf h GLU 13 N 1.03 1.09 0.00 1.72 5.08 -0.58 -2.49 114.58 120.43 3mhf h GLU 13 Ca 0.40 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 3mhf h GLU 13 Cb 0.18 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3mhf h GLU 13 CO -0.18 0.84 -0.13 0.87 -1.00 0.00 0.00 179.01 179.41 3mhf h LYS 14 N 1.08 0.00 -0.01 2.33 1.57 -0.56 -2.80 116.57 118.19 3mhf h LYS 14 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3mhf h LYS 14 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3mhf h LYS 14 CO -0.03 0.13 -0.30 1.28 -0.57 0.00 0.00 179.45 179.96 3mhf n LEU 15 N -3.33 1.07 -4.27 2.94 4.77 -0.90 -2.65 117.00 114.62 3mhf n LEU 15 Ca -0.00 -0.29 -0.16 0.00 -0.03 0.00 0.00 56.01 55.53 3mhf n LEU 15 Cb 0.34 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 3mhf n LEU 15 CO 0.30 0.20 -0.21 -0.94 -1.33 0.00 0.00 177.39 175.42 3mhf s SER 16 N -2.54 0.96 -0.10 -1.43 1.04 -1.06 -4.09 113.70 106.50 3mhf s SER 16 Ca 0.23 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 55.16 3mhf s SER 16 Cb 0.19 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.71 3mhf s SER 16 CO 0.54 -0.88 -0.08 -0.69 0.98 0.00 0.00 173.24 173.11 3mhf s VAL 17 N -3.82 1.00 -1.56 5.02 1.01 -0.41 -4.81 120.40 116.83 3mhf s VAL 17 Ca 0.38 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 3mhf s VAL 17 Cb 0.06 -1.00 0.08 0.00 0.00 0.00 0.00 36.38 35.52 3mhf s VAL 17 CO 0.16 0.35 0.64 -0.67 0.00 0.00 0.00 175.10 175.59 3mhf n ASP 18 N 4.64 -2.13 0.00 3.32 2.03 -1.26 -1.08 116.55 122.08 3mhf n ASP 18 Ca -0.15 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.16 3mhf n ASP 18 Cb 0.50 -2.96 0.00 0.00 -0.72 0.00 0.00 41.12 37.94 3mhf n ASP 18 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3mhf n GLY 19 N -1.69 0.60 3.38 0.27 0.00 -1.26 -4.65 105.19 101.84 3mhf n GLY 19 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 3mhf n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mhf s VAL 20 N -2.56 3.10 -0.43 1.61 1.01 -0.24 -0.68 120.40 122.21 3mhf s VAL 20 Ca 0.00 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 3mhf s VAL 20 Cb 0.00 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 34.10 3mhf s VAL 20 CO 0.00 0.52 0.59 -0.63 0.00 0.00 0.00 175.10 175.58 3mhf s ILE 21 N 0.37 4.89 -0.81 2.22 1.01 0.02 -1.28 121.20 127.61 3mhf s ILE 21 Ca -0.10 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.56 3mhf s ILE 21 Cb -0.16 -4.17 0.27 0.00 0.01 0.00 0.00 42.46 38.41 3mhf s ILE 21 CO 0.05 -0.56 1.01 -1.54 0.00 0.00 0.00 174.94 173.90 3mhf n SER 22 N 6.10 4.72 -4.85 3.58 3.41 -1.26 -0.83 113.62 124.49 3mhf n SER 22 Ca -0.03 -3.42 -0.37 0.00 -0.26 0.00 0.00 58.87 54.79 3mhf n SER 22 Cb 0.48 -0.90 -0.06 0.00 -0.26 0.00 0.00 64.21 63.47 3mhf n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mhf s ALA 23 N -2.53 3.74 -0.28 7.33 0.00 -0.66 -1.59 121.76 127.77 3mhf s ALA 23 Ca 0.36 -0.33 -0.16 0.00 0.00 0.00 0.00 51.96 51.83 3mhf s ALA 23 Cb 0.10 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 3mhf s ALA 23 CO 0.02 0.53 0.43 -1.17 0.00 0.00 0.00 175.76 175.57 3mhf s LEU 24 N -1.27 4.08 -0.36 0.00 2.96 -0.34 -1.80 118.68 121.96 3mhf s LEU 24 Ca 0.24 0.32 -0.19 0.00 -0.22 0.00 0.00 54.13 54.28 3mhf s LEU 24 Cb -0.15 -2.51 0.00 0.00 0.50 0.00 0.00 46.19 44.02 3mhf s LEU 24 CO 0.13 -0.25 0.56 0.00 -1.32 0.00 0.00 176.35 175.47 3mhf s ALA 25 N 2.18 3.46 -0.34 5.97 0.00 0.58 -0.27 121.76 133.35 3mhf s ALA 25 Ca 0.17 -0.98 0.16 0.00 0.00 0.00 0.00 51.96 51.31 3mhf s ALA 25 Cb -0.16 -3.08 0.45 0.00 0.00 0.00 0.00 23.12 20.32 3mhf s ALA 25 CO 0.10 -1.30 1.07 0.34 0.00 0.00 0.00 175.76 175.97 3mhf n PHE 26 N 5.86 0.23 0.04 0.00 7.35 0.48 -4.14 117.46 127.27 3mhf n PHE 26 Ca -0.04 -2.52 0.11 0.00 -0.76 0.00 0.00 57.45 54.24 3mhf n PHE 26 Cb 0.49 0.14 0.28 0.00 0.35 0.00 0.00 39.48 40.74 3mhf n PHE 26 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3mhf n ASP 27 N -0.25 3.47 -4.66 -2.13 5.75 -1.16 -4.25 116.55 113.34 3mhf n ASP 27 Ca 0.05 -1.99 -0.46 0.00 -0.01 0.00 0.00 54.79 52.39 3mhf n ASP 27 Cb 0.83 -0.38 -0.03 0.00 -1.03 0.00 0.00 41.12 40.50 3mhf n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mhf n GLN 28 N 1.42 1.91 0.00 0.11 3.00 -1.26 -4.50 117.38 118.07 3mhf n GLN 28 Ca 0.21 0.68 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 3mhf n GLN 28 Cb 0.57 -2.34 0.00 0.00 0.00 0.00 0.00 30.24 28.47 3mhf n GLN 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3mhf n ARG 29 N 2.24 0.00 -0.33 -1.09 1.74 -1.26 -4.57 116.66 113.38 3mhf n ARG 29 Ca 0.13 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.32 3mhf n ARG 29 Cb 0.30 0.00 0.31 0.00 -1.02 0.00 0.00 32.46 32.05 3mhf n ARG 29 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3mhf h GLY 30 N 0.00 1.54 1.19 -0.13 0.00 -1.99 -0.63 103.07 103.04 3mhf h GLY 30 Ca 0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 3mhf h GLY 30 CO 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 176.54 176.53 3mhf h ALA 31 N 1.59 0.86 -0.29 3.60 0.00 -1.98 -1.40 119.26 121.65 3mhf h ALA 31 Ca 0.51 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 3mhf h ALA 31 Cb 0.71 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3mhf h ALA 31 CO -0.28 0.65 -0.52 1.25 0.00 0.00 0.00 179.25 180.35 3mhf h LEU 32 N 0.86 0.92 -0.77 0.00 5.85 -1.63 -2.40 115.31 118.15 3mhf h LEU 32 Ca 0.14 -0.48 -0.03 0.00 0.84 0.00 0.00 57.88 58.35 3mhf h LEU 32 Cb 0.62 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3mhf h LEU 32 CO 0.04 1.27 0.35 0.50 -0.34 0.00 0.00 178.44 180.26 3mhf h LYS 33 N 0.65 1.12 -0.58 1.25 3.64 -0.97 -1.10 116.57 120.57 3mhf h LYS 33 Ca 0.02 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 3mhf h LYS 33 Cb 1.12 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 3mhf h LYS 33 CO 0.12 0.88 -0.00 0.00 -2.27 0.00 0.00 179.45 178.17 3mhf h ARG 34 N 1.09 1.01 -0.36 1.90 3.08 -1.22 0.03 114.38 119.91 3mhf h ARG 34 Ca 0.26 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3mhf h ARG 34 Cb 0.14 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3mhf h ARG 34 CO -0.03 0.99 0.21 0.52 -1.07 0.00 0.00 179.97 180.59 3mhf h MET 35 N 0.92 0.50 -0.36 0.04 2.86 -1.04 -2.80 114.93 115.05 3mhf h MET 35 Ca 0.17 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.78 3mhf h MET 35 Cb 0.54 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 3mhf h MET 35 CO 0.03 0.40 0.18 0.52 1.06 0.00 0.00 176.91 179.10 3mhf h MET 36 N 0.47 0.37 -0.22 1.72 2.86 -0.88 -2.60 114.93 116.64 3mhf h MET 36 Ca 0.13 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.81 3mhf h MET 36 Cb 0.03 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3mhf h MET 36 CO -0.02 0.24 0.28 0.00 1.06 0.00 0.00 176.91 178.47 3mhf h ALA 37 N 1.18 1.82 0.00 6.32 0.00 -0.73 -0.71 119.26 127.14 3mhf h ALA 37 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3mhf h ALA 37 Cb 0.05 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3mhf h ALA 37 CO -0.10 -0.39 -0.03 1.96 0.00 0.00 0.00 179.25 180.69 3mhf h GLN 38 N 0.00 0.00 -0.14 0.00 4.20 -1.33 -3.23 115.11 114.61 3mhf h GLN 38 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3mhf h GLN 38 Cb 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3mhf h GLN 38 CO -0.00 0.03 0.00 0.72 -0.67 0.00 0.00 178.83 178.91 3mhf n HIS 39 N -3.22 0.18 -3.68 2.96 8.25 -0.27 -4.99 115.22 114.45 3mhf n HIS 39 Ca -0.01 -0.49 -0.13 0.00 -0.26 0.00 0.00 57.72 56.83 3mhf n HIS 39 Cb 0.19 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.20 3mhf n HIS 39 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3mhf s GLN 40 N -0.99 0.90 0.02 -0.41 -2.07 -1.22 -4.67 119.66 111.22 3mhf s GLN 40 Ca 0.09 -0.37 -0.18 0.00 -1.82 0.00 0.00 55.36 53.08 3mhf s GLN 40 Cb 0.05 0.40 -0.26 0.00 -1.09 0.00 0.00 33.01 32.11 3mhf s GLN 40 CO 0.06 -0.31 1.08 0.00 -1.32 0.00 0.00 175.29 174.81 3mhf h THR 41 N 3.05 1.39 -4.13 3.63 1.03 -1.94 -3.46 112.91 112.48 3mhf h THR 41 Ca -0.31 -2.24 -0.50 0.00 -0.01 0.00 0.00 66.41 63.34 3mhf h THR 41 Cb 1.20 2.67 0.08 0.00 -1.07 0.00 0.00 68.15 71.04 3mhf h THR 41 CO 0.44 0.66 0.41 -1.59 -0.01 0.00 0.00 175.52 175.43 3mhf s LYS 42 N -3.07 3.14 0.16 0.00 -2.85 -1.26 -4.97 119.74 110.89 3mhf s LYS 42 Ca -0.12 1.54 -0.32 0.00 -1.00 0.00 0.00 55.97 56.07 3mhf s LYS 42 Cb 0.04 -1.98 -0.10 0.00 -2.06 0.00 0.00 37.83 33.72 3mhf s LYS 42 CO 0.86 -1.01 1.64 -2.00 0.10 0.00 0.00 175.35 174.95 3mhf s GLU 43 N -3.59 4.18 0.03 1.78 2.12 -1.26 -4.91 118.70 117.05 3mhf s GLU 43 Ca 0.71 2.45 -0.35 0.00 0.36 0.00 0.00 54.97 58.14 3mhf s GLU 43 Cb -0.23 -3.23 -0.14 0.00 0.26 0.00 0.00 34.13 30.80 3mhf s GLU 43 CO 0.32 -0.68 1.67 -2.30 -0.54 0.00 0.00 175.26 173.74 3mhf n PRO 44 N 4.33 1.99 -2.62 4.30 -0.02 -1.26 -4.94 135.00 136.78 3mhf n PRO 44 Ca 0.15 0.72 -0.27 0.00 -2.02 0.00 0.00 63.50 62.09 3mhf n PRO 44 Cb 0.38 -2.50 0.01 0.00 -0.02 0.00 0.00 33.50 31.36 3mhf n PRO 44 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3mhf s THR 45 N 2.19 4.54 0.26 3.45 -4.23 -1.26 -4.92 115.64 115.67 3mhf s THR 45 Ca 0.86 0.08 -0.02 0.00 -1.18 0.00 0.00 61.69 61.43 3mhf s THR 45 Cb -0.74 -3.74 0.25 0.00 1.34 0.00 0.00 72.50 69.62 3mhf s THR 45 CO 0.46 -0.71 1.83 0.58 -0.54 0.00 0.00 174.62 176.24 3mhf h VAL 46 N 0.15 0.94 -0.49 2.29 2.07 -1.99 -0.80 116.25 118.41 3mhf h VAL 46 Ca -0.47 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 3mhf h VAL 46 Cb 1.22 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3mhf h VAL 46 CO 0.61 0.17 0.24 -0.33 0.02 0.00 0.00 177.57 178.28 3mhf h GLU 47 N 0.94 0.71 -0.37 1.57 3.07 -1.99 -0.65 114.58 117.86 3mhf h GLU 47 Ca 0.45 -0.10 -0.02 0.00 -0.50 0.00 0.00 59.36 59.19 3mhf h GLU 47 Cb 0.39 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 3mhf h GLU 47 CO -0.24 0.58 0.17 1.96 -1.40 0.00 0.00 179.01 180.08 3mhf h GLN 48 N 0.65 0.54 -0.40 2.33 4.20 -1.77 -0.97 115.11 119.69 3mhf h GLN 48 Ca 0.17 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 3mhf h GLN 48 Cb 0.11 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3mhf h GLN 48 CO -0.02 0.49 0.13 0.82 -0.67 0.00 0.00 178.83 179.58 3mhf h ILE 49 N 0.46 1.21 -0.60 2.54 2.04 -0.96 -1.62 117.51 120.59 3mhf h ILE 49 Ca 0.13 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 3mhf h ILE 49 Cb 0.13 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3mhf h ILE 49 CO -0.01 0.24 0.19 -0.33 0.00 0.00 0.00 178.15 178.24 3mhf h GLU 50 N 0.50 0.90 -0.18 2.37 5.08 -1.01 -2.25 114.58 119.99 3mhf h GLU 50 Ca 0.13 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 3mhf h GLU 50 Cb 0.25 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3mhf h GLU 50 CO -0.01 0.78 -0.21 1.49 -1.00 0.00 0.00 179.01 180.07 3mhf h GLU 51 N 0.88 0.46 -0.69 2.33 4.81 -0.95 -1.62 114.58 119.80 3mhf h GLU 51 Ca 0.20 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3mhf h GLU 51 Cb 0.25 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3mhf h GLU 51 CO -0.01 0.83 0.45 1.25 -0.73 0.00 0.00 179.01 180.80 3mhf h LEU 52 N 0.11 0.80 -0.71 1.64 5.85 -1.24 0.78 115.31 122.53 3mhf h LEU 52 Ca 0.03 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3mhf h LEU 52 Cb 0.76 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3mhf h LEU 52 CO 0.05 0.58 0.46 0.11 -0.34 0.00 0.00 178.44 179.30 3mhf h LYS 53 N 0.94 0.95 -0.83 1.25 1.57 -1.36 -1.76 116.57 117.32 3mhf h LYS 53 Ca 0.25 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3mhf h LYS 53 Cb -0.10 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 31.96 3mhf h LYS 53 CO -0.05 0.65 0.45 0.77 -0.57 0.00 0.00 179.45 180.69 3mhf h SER 54 N 0.97 1.04 -0.20 0.86 0.02 -0.47 -0.20 113.55 115.58 3mhf h SER 54 Ca 0.26 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 3mhf h SER 54 Cb -0.08 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.19 3mhf h SER 54 CO -0.05 0.84 0.06 -0.07 -1.14 0.00 0.00 176.83 176.46 3mhf h LEU 55 N 1.17 0.29 -0.57 5.07 3.38 -0.48 -0.05 115.31 124.11 3mhf h LEU 55 Ca 0.29 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3mhf h LEU 55 Cb 0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3mhf h LEU 55 CO -0.05 0.43 0.17 0.58 0.09 0.00 0.00 178.44 179.66 3mhf h VAL 56 N 0.14 1.24 0.08 1.22 2.07 -1.05 -1.03 116.25 118.92 3mhf h VAL 56 Ca 0.06 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 3mhf h VAL 56 Cb 0.24 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3mhf h VAL 56 CO -0.00 0.31 -0.04 -1.28 0.02 0.00 0.00 177.57 176.58 3mhf h SER 57 N 0.80 -0.10 -0.58 0.57 0.87 -0.94 0.20 113.55 114.38 3mhf h SER 57 Ca 0.18 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3mhf h SER 57 Cb 0.30 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 3mhf h SER 57 CO -0.00 0.03 0.38 -0.33 -0.53 0.00 0.00 176.83 176.37 3mhf h GLU 58 N -0.22 0.74 0.09 2.24 5.08 -0.84 -2.48 114.58 119.20 3mhf h GLU 58 Ca -0.01 -0.04 -0.28 0.00 -1.00 0.00 0.00 59.36 58.02 3mhf h GLU 58 Cb 0.18 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3mhf h GLU 58 CO 0.02 0.49 -1.39 0.93 -1.00 0.00 0.00 179.01 178.07 3mhf h GLU 59 N 0.77 0.19 0.00 2.33 4.39 -1.14 -3.40 114.58 117.72 3mhf h GLU 59 Ca 0.22 -0.32 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 3mhf h GLU 59 Cb -0.06 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3mhf h GLU 59 CO -0.06 1.06 -2.07 1.28 -1.16 0.00 0.00 179.01 178.06 3mhf n LEU 60 N -3.41 0.00 0.32 1.33 4.77 0.05 -4.42 117.00 115.64 3mhf n LEU 60 Ca -0.12 0.00 0.22 0.00 -0.03 0.00 0.00 56.01 56.08 3mhf n LEU 60 Cb 1.02 0.17 1.10 0.00 -2.33 0.00 0.00 43.42 43.39 3mhf n LEU 60 CO 0.50 0.17 1.14 0.71 -1.33 0.00 0.00 177.39 178.59 3mhf h THR 61 N 0.00 0.00 0.00 -5.08 1.35 -1.57 0.18 112.91 107.79 3mhf h THR 61 Ca -0.19 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 3mhf h THR 61 Cb 1.40 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3mhf h THR 61 CO 0.01 0.00 0.00 -2.65 -0.25 0.00 0.00 175.52 172.63 3mhf n PRO 62 N -3.06 0.16 -0.16 4.72 -0.02 -1.26 -2.30 135.00 133.08 3mhf n PRO 62 Ca -0.02 0.53 0.06 0.00 -2.02 0.00 0.00 63.50 62.06 3mhf n PRO 62 Cb 0.12 -1.90 0.15 0.00 -0.02 0.00 0.00 33.50 31.84 3mhf n PRO 62 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3mhf n PHE 63 N -2.22 0.43 -4.41 6.00 3.72 0.05 -4.99 117.46 116.04 3mhf n PHE 63 Ca 0.00 -0.41 -0.26 0.00 -0.05 0.00 0.00 57.45 56.74 3mhf n PHE 63 Cb 0.12 -0.02 -0.12 0.00 -0.94 0.00 0.00 39.48 38.53 3mhf n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mhf s ALA 64 N -1.01 2.44 -0.24 4.37 0.00 -0.97 -4.99 121.76 121.35 3mhf s ALA 64 Ca 0.24 -1.62 0.22 0.00 0.00 0.00 0.00 51.96 50.80 3mhf s ALA 64 Cb 0.13 -0.30 0.42 0.00 0.00 0.00 0.00 23.12 23.37 3mhf s ALA 64 CO 0.18 0.39 1.62 0.66 0.00 0.00 0.00 175.76 178.61 3mhf h SER 65 N 3.19 0.00 -5.27 0.00 4.64 -1.58 -3.42 113.55 111.11 3mhf h SER 65 Ca -0.45 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.03 3mhf h SER 65 Cb 1.21 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.22 3mhf h SER 65 CO 0.49 0.17 0.47 -0.94 -0.87 0.00 0.00 176.83 176.15 3mhf s SER 66 N -6.23 -0.19 -0.02 4.97 1.04 -1.26 -1.81 113.70 110.20 3mhf s SER 66 Ca 0.05 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.10 3mhf s SER 66 Cb 0.07 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.69 3mhf s SER 66 CO 0.68 -0.91 -0.03 -0.51 0.98 0.00 0.00 173.24 173.46 3mhf s ILE 67 N -3.31 0.31 -0.26 -1.02 2.07 -0.53 -1.20 121.20 117.27 3mhf s ILE 67 Ca 0.12 -0.06 -0.13 0.00 -1.41 0.00 0.00 60.65 59.16 3mhf s ILE 67 Cb -0.02 -0.34 -0.04 0.00 0.13 0.00 0.00 42.46 42.20 3mhf s ILE 67 CO 0.02 0.14 0.30 -0.22 -1.91 0.00 0.00 174.94 173.27 3mhf s LEU 68 N 0.57 4.06 0.30 8.50 2.96 0.63 -0.87 118.68 134.82 3mhf s LEU 68 Ca -0.06 0.21 0.07 0.00 -0.22 0.00 0.00 54.13 54.13 3mhf s LEU 68 Cb -0.09 -2.31 -0.06 0.00 0.50 0.00 0.00 46.19 44.22 3mhf s LEU 68 CO -0.01 -0.10 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.10 3mhf s LEU 69 N 1.76 2.52 0.02 -0.68 1.43 -0.34 -0.39 118.68 123.01 3mhf s LEU 69 Ca 0.12 -1.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.00 3mhf s LEU 69 Cb -0.15 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 3mhf s LEU 69 CO 0.09 -0.33 0.19 1.51 0.23 0.00 0.00 176.35 178.04 3mhf s ASP 70 N -3.48 6.35 0.52 2.29 -4.77 -1.26 -1.52 116.67 114.80 3mhf s ASP 70 Ca 0.31 0.30 0.32 0.00 -3.30 0.00 0.00 52.55 50.18 3mhf s ASP 70 Cb 0.04 -1.97 1.30 0.00 -1.09 0.00 0.00 42.92 41.19 3mhf s ASP 70 CO 0.13 0.22 1.95 -0.65 0.70 0.00 0.00 175.17 177.52 3mhf h PRO 71 N 3.46 0.00 -0.02 2.11 0.11 -1.93 0.15 132.00 135.88 3mhf h PRO 71 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3mhf h PRO 71 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3mhf h PRO 71 CO 0.72 0.00 0.00 1.49 -0.21 0.00 0.00 178.00 180.01 3mhf h GLU 72 N 0.00 0.04 0.00 1.05 4.81 -1.94 -3.39 114.58 115.15 3mhf h GLU 72 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3mhf h GLU 72 Cb 0.52 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3mhf h GLU 72 CO 0.00 0.27 -0.35 0.66 -0.73 0.00 0.00 179.01 178.86 3mhf n TYR 73 N -4.95 0.00 0.33 0.92 4.01 -1.24 -4.84 117.16 111.39 3mhf n TYR 73 Ca -0.07 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.78 3mhf n TYR 73 Cb 0.15 0.00 0.25 0.00 -0.31 0.00 0.00 39.34 39.42 3mhf n TYR 73 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mhf n GLY 74 N 1.47 1.66 0.24 2.72 0.00 0.04 -4.41 105.19 106.91 3mhf n GLY 74 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 3mhf n GLY 74 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mhf h LEU 75 N 4.17 0.80 -0.30 0.99 3.38 -1.77 0.11 115.31 122.67 3mhf h LEU 75 Ca 0.00 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 3mhf h LEU 75 Cb 0.92 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3mhf h LEU 75 CO 0.00 0.95 0.19 -0.65 0.09 0.00 0.00 178.44 179.02 3mhf h PRO 76 N 0.63 0.41 -0.92 1.13 0.11 -1.92 -2.35 132.00 129.09 3mhf h PRO 76 Ca 0.11 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.30 3mhf h PRO 76 Cb 0.58 -0.09 -0.08 0.00 0.11 0.00 0.00 31.00 31.52 3mhf h PRO 76 CO 0.03 0.31 0.55 0.00 -0.21 0.00 0.00 178.00 178.69 3mhf h ALA 77 N 1.08 1.36 -0.57 -0.75 0.00 -1.77 -0.99 119.26 117.63 3mhf h ALA 77 Ca 0.11 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3mhf h ALA 77 Cb -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3mhf h ALA 77 CO -0.02 0.16 0.38 0.66 0.00 0.00 0.00 179.25 180.42 3mhf h SER 78 N 0.89 0.48 1.32 0.00 4.64 -0.25 -2.10 113.55 118.53 3mhf h SER 78 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3mhf h SER 78 Cb 0.45 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3mhf h SER 78 CO -0.26 0.31 0.00 0.54 -0.87 0.00 0.00 176.83 176.55 3mhf n ARG 79 N -4.47 0.22 -0.24 4.77 1.74 -0.38 -3.13 116.66 115.16 3mhf n ARG 79 Ca 0.08 0.22 0.06 0.00 -0.77 0.00 0.00 57.85 57.44 3mhf n ARG 79 Cb 0.24 -1.77 0.17 0.00 -1.02 0.00 0.00 32.46 30.07 3mhf n ARG 79 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3mhf n VAL 80 N -2.16 1.38 -1.53 1.55 0.24 -0.80 -5.01 118.33 112.00 3mhf n VAL 80 Ca 0.05 -1.27 -0.33 0.00 -2.04 0.00 0.00 64.34 60.75 3mhf n VAL 80 Cb 0.39 0.27 0.08 0.00 -1.47 0.00 0.00 33.84 33.11 3mhf n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mhf s ARG 81 N -1.55 2.40 0.33 7.34 1.70 -1.14 -4.09 118.95 123.94 3mhf s ARG 81 Ca 0.27 1.51 -0.28 0.00 -0.47 0.00 0.00 55.73 56.77 3mhf s ARG 81 Cb 0.18 -1.89 -0.13 0.00 -0.57 0.00 0.00 34.95 32.54 3mhf s ARG 81 CO 0.13 -1.58 1.12 0.45 -1.08 0.00 0.00 175.30 174.33 3mhf n SER 82 N -2.74 1.87 0.19 -2.89 2.88 -1.26 -4.86 113.62 106.80 3mhf n SER 82 Ca 0.11 1.17 0.14 0.00 -1.33 0.00 0.00 58.87 58.97 3mhf n SER 82 Cb 0.51 -1.37 0.65 0.00 -0.75 0.00 0.00 64.21 63.25 3mhf n SER 82 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3mhf h GLU 83 N 2.15 0.00 -0.00 -1.46 4.11 -1.95 -1.09 114.58 116.34 3mhf h GLU 83 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 3mhf h GLU 83 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3mhf h GLU 83 CO 0.61 0.00 -0.13 0.39 0.07 0.00 0.00 179.01 179.95 3mhf n GLU 84 N -2.50 0.07 -4.23 1.06 4.71 -1.26 -4.87 120.64 113.62 3mhf n GLU 84 Ca 0.00 -0.01 -0.35 0.00 -0.01 0.00 0.00 57.16 56.79 3mhf n GLU 84 Cb 0.17 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 29.00 3mhf n GLU 84 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3mhf s ALA 85 N -2.94 3.38 0.88 0.62 0.00 -0.42 -4.87 121.76 118.41 3mhf s ALA 85 Ca 0.15 -0.77 -0.13 0.00 0.00 0.00 0.00 51.96 51.22 3mhf s ALA 85 Cb 0.19 -1.65 0.16 0.00 0.00 0.00 0.00 23.12 21.82 3mhf s ALA 85 CO 0.56 0.49 1.23 0.20 0.00 0.00 0.00 175.76 178.24 3mhf s GLY 86 N -0.57 1.74 -0.06 0.00 0.00 -0.75 -4.82 107.32 102.86 3mhf s GLY 86 Ca 0.10 -1.16 0.03 0.00 0.00 0.00 0.00 44.72 43.69 3mhf s GLY 86 CO 0.02 -0.49 -0.14 -2.27 0.00 0.00 0.00 173.10 170.22 3mhf s LEU 87 N -5.69 1.74 0.03 0.66 2.96 -1.26 -1.45 118.68 115.67 3mhf s LEU 87 Ca 0.70 -0.31 0.05 0.00 -0.22 0.00 0.00 54.13 54.35 3mhf s LEU 87 Cb -0.06 -0.86 -0.03 0.00 0.50 0.00 0.00 46.19 45.74 3mhf s LEU 87 CO 0.50 0.07 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.72 3mhf s LEU 88 N 0.48 2.88 -0.08 -0.68 1.02 -0.05 -0.29 118.68 121.96 3mhf s LEU 88 Ca -0.12 -0.30 0.05 0.00 0.02 0.00 0.00 54.13 53.78 3mhf s LEU 88 Cb -0.14 -1.67 -0.00 0.00 0.02 0.00 0.00 46.19 44.39 3mhf s LEU 88 CO 0.03 0.26 -0.23 -0.76 0.02 0.00 0.00 176.35 175.68 3mhf s LEU 89 N -1.48 2.04 0.44 1.79 1.43 -0.88 -1.20 118.68 120.82 3mhf s LEU 89 Ca 0.16 -0.51 -0.24 0.00 -1.03 0.00 0.00 54.13 52.51 3mhf s LEU 89 Cb -0.11 -1.33 -0.08 0.00 0.03 0.00 0.00 46.19 44.71 3mhf s LEU 89 CO 0.07 0.18 1.19 0.00 0.23 0.00 0.00 176.35 178.01 3mhf s ALA 90 N 0.17 3.04 -0.02 4.21 0.00 -0.57 -1.60 121.76 126.99 3mhf s ALA 90 Ca -0.13 0.99 0.01 0.00 0.00 0.00 0.00 51.96 52.83 3mhf s ALA 90 Cb -0.16 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 3mhf s ALA 90 CO 0.06 -0.67 0.03 0.98 0.00 0.00 0.00 175.76 176.17 3mhf n TYR 91 N -0.30 0.00 -3.56 0.00 9.36 0.08 -4.34 117.16 118.41 3mhf n TYR 91 Ca 0.06 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.98 3mhf n TYR 91 Cb 0.47 -0.01 -0.04 0.00 -0.63 0.00 0.00 39.34 39.12 3mhf n TYR 91 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 3mhf s GLU 92 N -1.66 3.63 0.41 2.98 1.03 -1.26 -0.56 118.70 123.26 3mhf s GLU 92 Ca -0.00 -0.06 -0.24 0.00 0.03 0.00 0.00 54.97 54.70 3mhf s GLU 92 Cb 0.01 -2.77 -0.08 0.00 -0.80 0.00 0.00 34.13 30.48 3mhf s GLU 92 CO 0.05 0.37 1.09 0.15 -1.33 0.00 0.00 175.26 175.59 3mhf s LYS 93 N -3.02 4.06 0.69 -4.83 1.02 0.13 -4.62 119.74 113.17 3mhf s LYS 93 Ca 0.42 1.62 -0.13 0.00 0.02 0.00 0.00 55.97 57.90 3mhf s LYS 93 Cb -0.11 -2.54 0.01 0.00 -0.52 0.00 0.00 37.83 34.67 3mhf s LYS 93 CO 0.26 -0.26 1.09 0.95 -0.92 0.00 0.00 175.35 176.48 3mhf s THR 94 N -1.59 3.41 0.00 2.17 -4.23 -1.26 -4.83 115.64 109.31 3mhf s THR 94 Ca 0.59 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.67 3mhf s THR 94 Cb -0.25 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.49 3mhf s THR 94 CO 0.31 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 3mhf n GLY 95 N -0.93 -0.83 3.43 3.99 0.00 -1.26 -5.00 105.19 104.59 3mhf n GLY 95 Ca 0.09 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 3mhf n GLY 95 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mhf s TYR 96 N 0.00 -0.53 -0.17 1.61 -0.85 -1.26 -5.01 117.35 111.14 3mhf s TYR 96 Ca 0.00 0.31 -0.29 0.00 -0.52 0.00 0.00 57.07 56.57 3mhf s TYR 96 Cb 0.00 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.88 3mhf s TYR 96 CO 0.00 -0.85 1.50 0.34 -1.52 0.00 0.00 175.55 175.02 3mhf s ASP 97 N -2.75 6.63 0.17 -0.18 2.15 -1.26 -4.89 116.67 116.54 3mhf s ASP 97 Ca 0.01 1.74 0.26 0.00 0.43 0.00 0.00 52.55 54.99 3mhf s ASP 97 Cb -0.01 -2.53 0.91 0.00 -0.30 0.00 0.00 42.92 40.99 3mhf s ASP 97 CO -0.12 -1.03 1.78 0.00 -0.17 0.00 0.00 175.17 175.63 3mhf n ALA 98 N 7.57 2.15 1.73 3.66 0.00 -1.26 -3.09 120.51 131.27 3mhf n ALA 98 Ca 0.17 -0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.74 3mhf n ALA 98 Cb 0.45 -1.44 0.85 0.00 0.00 0.00 0.00 19.45 19.30 3mhf n ALA 98 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3mhf n THR 99 N -2.07 0.00 -4.20 0.00 -2.24 -1.26 -4.85 114.28 99.66 3mhf n THR 99 Ca 0.05 -0.01 -0.17 0.00 -2.27 0.00 0.00 64.05 61.66 3mhf n THR 99 Cb 0.36 -0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 68.06 3mhf n THR 99 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3mhf s THR 100 N -2.26 0.00 -0.81 4.28 -4.23 -1.18 -5.07 115.64 106.38 3mhf s THR 100 Ca 0.39 -1.83 0.08 0.00 -1.18 0.00 0.00 61.69 59.14 3mhf s THR 100 Cb 0.21 -2.56 0.13 0.00 1.34 0.00 0.00 72.50 71.63 3mhf s THR 100 CO 0.41 0.00 0.95 0.35 -0.54 0.00 0.00 174.62 175.79 3mhf n THR 101 N -0.57 0.47 0.08 3.99 -2.24 -1.26 -4.69 114.28 110.06 3mhf n THR 101 Ca 0.04 -0.74 -0.04 0.00 -2.27 0.00 0.00 64.05 61.05 3mhf n THR 101 Cb 0.62 0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 69.63 3mhf n THR 101 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3mhf h SER 102 N 1.46 0.00 -6.78 3.42 4.64 -1.98 -3.45 113.55 110.85 3mhf h SER 102 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3mhf h SER 102 Cb 0.48 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.48 3mhf h SER 102 CO 0.00 0.83 -0.95 0.54 -0.87 0.00 0.00 176.83 176.38 3mhf n ARG 103 N -3.28 -1.53 -2.36 4.77 1.74 -1.26 -4.87 116.66 109.87 3mhf n ARG 103 Ca -0.01 0.22 -0.41 0.00 -0.77 0.00 0.00 57.85 56.89 3mhf n ARG 103 Cb 0.88 -3.70 -0.04 0.00 -1.02 0.00 0.00 32.46 28.58 3mhf n ARG 103 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3mhf s LEU 104 N -7.18 4.50 0.49 0.55 1.43 -1.26 -4.49 118.68 112.72 3mhf s LEU 104 Ca 0.16 2.37 -0.20 0.00 -1.03 0.00 0.00 54.13 55.43 3mhf s LEU 104 Cb -0.08 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 3mhf s LEU 104 CO 0.95 -0.28 1.04 -2.16 0.23 0.00 0.00 176.35 176.12 3mhf s PRO 105 N -1.31 3.79 -0.23 1.29 0.04 -1.26 -4.98 135.00 132.34 3mhf s PRO 105 Ca 0.47 1.34 -0.07 0.00 0.04 0.00 0.00 61.00 62.79 3mhf s PRO 105 Cb -0.34 -2.09 0.11 0.00 0.04 0.00 0.00 34.50 32.22 3mhf s PRO 105 CO 0.43 -0.44 0.48 0.34 0.04 0.00 0.00 177.00 177.86 3mhf s ASP 106 N -2.04 -0.48 0.56 6.66 2.15 -1.26 -5.09 116.67 117.17 3mhf s ASP 106 Ca 0.67 1.02 -0.19 0.00 0.43 0.00 0.00 52.55 54.48 3mhf s ASP 106 Cb -0.16 1.60 -0.05 0.00 -0.30 0.00 0.00 42.92 44.01 3mhf s ASP 106 CO 0.21 -0.24 1.15 0.00 -0.17 0.00 0.00 175.17 176.12 3mhf n LEU 108 N -1.44 2.05 -0.26 0.00 4.77 0.27 -4.63 117.00 117.77 3mhf n LEU 108 Ca 0.12 1.14 0.02 0.00 -0.03 0.00 0.00 56.01 57.26 3mhf n LEU 108 Cb 0.51 -1.29 0.15 0.00 -2.33 0.00 0.00 43.42 40.46 3mhf n LEU 108 CO 0.43 -1.02 1.09 0.44 -1.33 0.00 0.00 177.39 177.00 3mhf h ASP 109 N 3.71 0.53 -0.51 -1.43 3.32 -1.93 -2.64 116.42 117.47 3mhf h ASP 109 Ca -0.44 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.53 3mhf h ASP 109 Cb 1.32 -0.04 -0.08 0.00 0.22 0.00 0.00 39.33 40.75 3mhf h ASP 109 CO 0.72 0.30 0.11 1.33 -1.72 0.00 0.00 179.24 179.99 3mhf n VAL 110 N -4.83 2.65 -4.40 -1.35 0.24 -1.26 -4.96 118.33 104.42 3mhf n VAL 110 Ca 0.12 -1.95 -0.25 0.00 -2.04 0.00 0.00 64.34 60.21 3mhf n VAL 110 Cb 0.27 -0.32 -0.10 0.00 -1.47 0.00 0.00 33.84 32.22 3mhf n VAL 110 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3mhf s TRP 111 N -3.00 2.40 0.15 6.34 0.52 -1.00 -5.04 118.94 119.31 3mhf s TRP 111 Ca 0.49 -0.31 -0.10 0.00 0.02 0.00 0.00 56.10 56.20 3mhf s TRP 111 Cb 0.40 -1.12 0.00 0.00 -1.15 0.00 0.00 33.47 31.60 3mhf s TRP 111 CO 0.09 0.59 0.30 -1.54 0.02 0.00 0.00 176.95 176.41 3mhf s SER 112 N -3.11 0.01 0.33 2.95 1.04 -1.26 -4.83 113.70 108.82 3mhf s SER 112 Ca 0.26 -0.74 0.05 0.00 0.48 0.00 0.00 55.95 56.00 3mhf s SER 112 Cb -0.07 0.43 0.68 0.00 0.10 0.00 0.00 66.02 67.16 3mhf s SER 112 CO 0.14 -0.87 1.90 0.00 0.98 0.00 0.00 173.24 175.39 3mhf h ALA 113 N 2.54 1.66 -0.59 5.32 0.00 -1.96 -1.12 119.26 125.11 3mhf h ALA 113 Ca -0.32 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3mhf h ALA 113 Cb 1.23 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3mhf h ALA 113 CO 0.49 0.16 0.31 -0.22 0.00 0.00 0.00 179.25 179.99 3mhf h LYS 114 N 0.85 0.82 -0.20 0.00 3.64 -1.96 -0.91 116.57 118.82 3mhf h LYS 114 Ca 0.40 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.58 3mhf h LYS 114 Cb 0.42 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3mhf h LYS 114 CO -0.17 0.64 -0.31 0.00 -2.27 0.00 0.00 179.45 177.34 3mhf h ARG 115 N 0.79 0.39 -0.51 1.90 3.08 -1.76 -0.39 114.38 117.88 3mhf h ARG 115 Ca 0.20 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3mhf h ARG 115 Cb 0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3mhf h ARG 115 CO -0.03 0.67 0.11 0.82 -1.07 0.00 0.00 179.97 180.46 3mhf h ILE 116 N 0.34 1.24 -0.25 2.04 2.04 -0.78 -0.80 117.51 121.34 3mhf h ILE 116 Ca 0.04 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3mhf h ILE 116 Cb 0.72 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3mhf h ILE 116 CO 0.06 0.32 0.12 0.50 0.00 0.00 0.00 178.15 179.15 3mhf h LYS 117 N 0.71 0.37 0.00 2.37 3.64 -0.93 -2.46 116.57 120.27 3mhf h LYS 117 Ca 0.16 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3mhf h LYS 117 Cb 0.36 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3mhf h LYS 117 CO 0.00 0.37 -0.02 0.93 -2.27 0.00 0.00 179.45 178.46 3mhf h GLU 118 N 0.28 0.00 0.00 1.90 5.08 -0.91 0.66 114.58 121.59 3mhf h GLU 118 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3mhf h GLU 118 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3mhf h GLU 118 CO -0.01 0.02 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 3mhf n ALA 119 N -2.30 2.62 -0.09 3.43 0.00 -0.32 -4.89 120.51 118.97 3mhf n ALA 119 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3mhf n ALA 119 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3mhf n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mhf n GLY 120 N 0.98 0.75 3.78 0.00 0.00 0.22 -5.07 105.19 105.85 3mhf n GLY 120 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 3mhf n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhf s ALA 121 N -2.09 2.91 -2.81 4.61 0.00 -1.07 -4.78 121.76 118.52 3mhf s ALA 121 Ca 0.00 0.80 0.24 0.00 0.00 0.00 0.00 51.96 53.00 3mhf s ALA 121 Cb 0.00 -3.33 0.29 0.00 0.00 0.00 0.00 23.12 20.07 3mhf s ALA 121 CO 0.00 -0.54 1.32 -0.85 0.00 0.00 0.00 175.76 175.69 3mhf n GLU 122 N -0.70 2.39 -3.54 0.00 0.00 0.60 -4.68 120.64 114.71 3mhf n GLU 122 Ca 0.08 -2.05 -0.17 0.00 0.00 0.00 0.00 57.16 55.03 3mhf n GLU 122 Cb 0.50 -1.48 -0.06 0.00 0.00 0.00 0.00 31.44 30.40 3mhf n GLU 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3mhf s ALA 123 N -1.82 -1.78 -0.22 -1.84 0.00 -1.17 -4.03 121.76 110.89 3mhf s ALA 123 Ca 0.32 1.44 -0.14 0.00 0.00 0.00 0.00 51.96 53.58 3mhf s ALA 123 Cb 0.21 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 3mhf s ALA 123 CO 0.31 -0.36 0.32 0.08 0.00 0.00 0.00 175.76 176.11 3mhf s VAL 124 N -0.96 5.25 -0.08 0.00 1.01 -0.43 -2.08 120.40 123.11 3mhf s VAL 124 Ca -0.09 0.53 -0.00 0.00 0.00 0.00 0.00 61.98 62.42 3mhf s VAL 124 Cb -0.01 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3mhf s VAL 124 CO 0.08 0.27 -0.06 -0.75 0.00 0.00 0.00 175.10 174.64 3mhf s LYS 125 N 1.31 2.91 -0.02 2.72 2.36 -0.63 -0.40 119.74 128.00 3mhf s LYS 125 Ca 0.15 -0.54 -0.00 0.00 -2.55 0.00 0.00 55.97 53.03 3mhf s LYS 125 Cb -0.14 -2.65 0.03 0.00 -1.05 0.00 0.00 37.83 34.02 3mhf s LYS 125 CO 0.07 0.59 0.04 0.12 1.55 0.00 0.00 175.35 177.73 3mhf s PHE 126 N -0.62 0.02 -0.19 4.03 2.19 -0.39 -0.74 117.98 122.27 3mhf s PHE 126 Ca 0.09 0.16 -0.12 0.00 0.33 0.00 0.00 56.93 57.39 3mhf s PHE 126 Cb -0.12 -0.23 -0.05 0.00 -1.31 0.00 0.00 43.02 41.32 3mhf s PHE 126 CO 0.02 -0.10 0.22 -1.17 1.83 0.00 0.00 175.22 176.02 3mhf s LEU 127 N 1.10 4.21 -0.09 6.12 2.96 -1.26 -0.96 118.68 130.76 3mhf s LEU 127 Ca -0.09 0.35 0.04 0.00 -0.22 0.00 0.00 54.13 54.21 3mhf s LEU 127 Cb -0.13 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.32 3mhf s LEU 127 CO -0.03 0.11 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.67 3mhf s LEU 128 N 0.57 2.03 -0.03 -0.68 2.96 0.20 -4.92 118.68 118.81 3mhf s LEU 128 Ca 0.12 -0.51 -0.21 0.00 -0.22 0.00 0.00 54.13 53.30 3mhf s LEU 128 Cb -0.12 -1.32 -0.05 0.00 0.50 0.00 0.00 46.19 45.20 3mhf s LEU 128 CO 0.02 0.15 0.62 -0.31 -1.32 0.00 0.00 176.35 175.52 3mhf s TYR 129 N 0.31 3.64 -0.06 5.38 1.51 -1.26 -1.55 117.35 125.31 3mhf s TYR 129 Ca -0.16 1.19 -0.02 0.00 -1.01 0.00 0.00 57.07 57.07 3mhf s TYR 129 Cb -0.17 -2.67 0.04 0.00 -0.11 0.00 0.00 41.96 39.05 3mhf s TYR 129 CO 0.07 0.25 0.12 -0.47 -1.11 0.00 0.00 175.55 174.42 3mhf s TYR 130 N 0.19 -0.11 -0.38 2.71 5.04 -0.52 -4.94 117.35 119.34 3mhf s TYR 130 Ca 0.33 0.45 -0.05 0.00 -2.44 0.00 0.00 57.07 55.36 3mhf s TYR 130 Cb -0.18 -0.22 0.08 0.00 0.35 0.00 0.00 41.96 42.00 3mhf s TYR 130 CO 0.17 -0.19 0.17 0.34 -1.34 0.00 0.00 175.55 174.69 3mhf s ASP 131 N 1.67 5.28 0.55 4.32 -1.08 -1.26 -3.21 116.67 122.94 3mhf s ASP 131 Ca -0.03 -1.66 0.24 0.00 -0.52 0.00 0.00 52.55 50.58 3mhf s ASP 131 Cb -0.12 -1.85 1.48 0.00 -1.46 0.00 0.00 42.92 40.97 3mhf s ASP 131 CO -0.05 -0.46 2.10 -0.29 0.52 0.00 0.00 175.17 176.98 3mhf h ILE 132 N 6.29 0.71 -0.30 4.11 6.09 -1.85 0.19 117.51 132.75 3mhf h ILE 132 Ca -0.18 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 3mhf h ILE 132 Cb 1.06 0.87 0.00 0.00 0.47 0.00 0.00 36.82 39.22 3mhf h ILE 132 CO 0.67 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 176.22 3mhf n ASP 133 N -4.19 2.65 -2.07 2.19 8.00 -1.26 -4.98 116.55 116.88 3mhf n ASP 133 Ca 0.02 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.64 3mhf n ASP 133 Cb 0.32 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 3mhf n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mhf n GLY 134 N 1.33 -1.14 3.68 0.44 0.00 0.05 -4.94 105.19 104.62 3mhf n GLY 134 Ca 0.18 -1.66 -0.51 0.00 0.00 0.00 0.00 46.02 44.02 3mhf n GLY 134 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mhf n ASP 135 N -2.81 2.85 0.15 1.61 -0.08 -1.26 -4.87 116.55 112.15 3mhf n ASP 135 Ca 0.00 1.04 0.02 0.00 -1.51 0.00 0.00 54.79 54.33 3mhf n ASP 135 Cb 0.00 -1.28 0.34 0.00 2.34 0.00 0.00 41.12 42.52 3mhf n ASP 135 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 3mhf h GLN 136 N 7.59 0.10 -0.11 -0.67 4.20 -1.96 -1.52 115.11 122.73 3mhf h GLN 136 Ca -0.47 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.04 3mhf h GLN 136 Cb 1.29 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 3mhf h GLN 136 CO 0.93 0.42 -0.64 -0.44 -0.67 0.00 0.00 178.83 178.42 3mhf h ASP 137 N 0.08 0.47 -0.26 1.46 3.32 -1.99 -1.09 116.42 118.42 3mhf h ASP 137 Ca 0.01 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 3mhf h ASP 137 Cb 0.63 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3mhf h ASP 137 CO 0.05 0.99 0.12 0.58 -1.72 0.00 0.00 179.24 179.26 3mhf h VAL 138 N 0.30 1.15 -0.04 -1.35 2.07 -1.80 -2.01 116.25 114.58 3mhf h VAL 138 Ca -0.01 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 3mhf h VAL 138 Cb 1.19 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 3mhf h VAL 138 CO 0.11 0.15 -0.28 0.78 0.02 0.00 0.00 177.57 178.35 3mhf h ASN 139 N 0.28 0.07 -0.58 0.57 2.35 -1.25 -0.67 115.58 116.35 3mhf h ASN 139 Ca 0.09 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3mhf h ASN 139 Cb 0.13 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 3mhf h ASN 139 CO -0.01 0.35 0.16 -0.08 -1.65 0.00 0.00 177.43 176.20 3mhf h GLU 140 N 0.06 0.91 -0.49 0.81 4.57 -0.95 0.81 114.58 120.31 3mhf h GLU 140 Ca 0.01 -0.21 -0.09 0.00 -1.18 0.00 0.00 59.36 57.88 3mhf h GLU 140 Cb 0.54 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 3mhf h GLU 140 CO 0.04 0.83 -0.07 0.37 -1.18 0.00 0.00 179.01 179.00 3mhf h GLN 141 N 0.82 0.88 -0.27 1.92 4.15 -0.86 -1.51 115.11 120.25 3mhf h GLN 141 Ca 0.18 -0.29 -0.04 0.00 0.77 0.00 0.00 58.65 59.28 3mhf h GLN 141 Cb 0.32 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3mhf h GLN 141 CO -0.00 0.92 0.02 0.87 -1.93 0.00 0.00 178.83 178.70 3mhf h LYS 142 N 0.80 0.46 -0.67 1.69 1.57 -0.82 -1.93 116.57 117.67 3mhf h LYS 142 Ca 0.14 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3mhf h LYS 142 Cb 0.58 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 3mhf h LYS 142 CO 0.04 0.61 0.34 0.87 -0.57 0.00 0.00 179.45 180.74 3mhf h LYS 143 N 0.26 0.95 -0.73 3.15 1.57 -0.72 -0.87 116.57 120.17 3mhf h LYS 143 Ca 0.08 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3mhf h LYS 143 Cb 0.39 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 3mhf h LYS 143 CO 0.01 0.73 0.39 0.00 -0.57 0.00 0.00 179.45 180.01 3mhf h ALA 144 N 1.16 1.32 -0.26 3.86 0.00 -1.23 -1.13 119.26 122.98 3mhf h ALA 144 Ca 0.23 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3mhf h ALA 144 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3mhf h ALA 144 CO -0.03 0.55 -0.05 -0.92 0.00 0.00 0.00 179.25 178.80 3mhf h TYR 145 N 1.02 0.56 -0.46 0.00 3.20 -0.71 -2.29 116.97 118.29 3mhf h TYR 145 Ca 0.26 -0.11 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 3mhf h TYR 145 Cb 0.04 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 3mhf h TYR 145 CO 0.01 0.70 0.09 0.82 -1.64 0.00 0.00 178.16 178.13 3mhf h ILE 146 N 0.26 1.21 -0.52 1.81 1.08 -1.01 -2.49 117.51 117.85 3mhf h ILE 146 Ca 0.07 -0.78 0.05 0.00 -0.39 0.00 0.00 64.86 63.81 3mhf h ILE 146 Cb 0.51 0.77 -0.05 0.00 -3.07 0.00 0.00 36.82 34.98 3mhf h ILE 146 CO 0.02 0.28 0.26 -0.33 -0.69 0.00 0.00 178.15 177.69 3mhf h GLU 147 N 0.68 0.48 -0.34 2.37 5.08 -0.95 0.14 114.58 122.03 3mhf h GLU 147 Ca 0.15 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 3mhf h GLU 147 Cb 0.29 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 3mhf h GLU 147 CO 0.00 0.32 0.09 0.00 -1.00 0.00 0.00 179.01 178.42 3mhf h ARG 148 N 0.49 0.21 -0.44 2.33 3.08 -0.98 -0.64 114.38 118.44 3mhf h ARG 148 Ca 0.23 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 3mhf h ARG 148 Cb 0.16 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3mhf h ARG 148 CO -0.17 0.14 -0.01 0.82 -1.07 0.00 0.00 179.97 179.68 3mhf h ILE 149 N 0.22 1.26 -0.97 2.04 2.04 -1.16 -0.00 117.51 120.94 3mhf h ILE 149 Ca 0.16 -1.06 0.05 0.00 1.00 0.00 0.00 64.86 65.02 3mhf h ILE 149 Cb 0.16 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 3mhf h ILE 149 CO -0.19 0.36 0.63 1.23 0.00 0.00 0.00 178.15 180.18 3mhf h GLY 150 N 0.63 1.44 0.91 5.37 0.00 -0.83 -0.57 103.07 110.02 3mhf h GLY 150 Ca 0.12 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 3mhf h GLY 150 CO 0.02 0.36 -0.21 1.76 0.00 0.00 0.00 176.54 178.48 3mhf h SER 151 N 1.17 0.65 -0.54 0.19 0.02 -0.60 -1.83 113.55 112.61 3mhf h SER 151 Ca 0.41 -0.45 0.10 0.00 -0.84 0.00 0.00 61.79 61.01 3mhf h SER 151 Cb 0.11 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.39 3mhf h SER 151 CO -0.15 0.96 0.08 -0.33 -1.14 0.00 0.00 176.83 176.25 3mhf h GLU 152 N 0.34 0.20 -0.08 3.45 5.08 -0.53 -1.27 114.58 121.78 3mhf h GLU 152 Ca 0.05 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 3mhf h GLU 152 Cb 0.75 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3mhf h GLU 152 CO 0.05 0.14 -0.46 0.00 -1.00 0.00 0.00 179.01 177.74 3mhf h ARG 154 N 0.15 0.59 -0.46 0.00 2.43 -0.70 0.57 114.38 116.97 3mhf h ARG 154 Ca 0.01 -0.15 -0.10 0.00 -0.81 0.00 0.00 59.98 58.92 3mhf h ARG 154 Cb 0.88 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 3mhf h ARG 154 CO 0.07 0.65 -0.12 0.00 -1.51 0.00 0.00 179.97 179.06 3mhf h ALA 155 N 0.92 0.63 -0.00 2.80 0.00 -0.83 -2.78 119.26 120.01 3mhf h ALA 155 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3mhf h ALA 155 Cb 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3mhf h ALA 155 CO 0.00 0.54 -0.04 0.39 0.00 0.00 0.00 179.25 180.14 3mhf n GLU 156 N -4.24 0.20 -3.43 0.00 -0.58 -0.15 -4.93 120.64 107.49 3mhf n GLU 156 Ca -0.00 -0.02 -0.17 0.00 -0.42 0.00 0.00 57.16 56.54 3mhf n GLU 156 Cb 0.39 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.84 3mhf n GLU 156 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3mhf n ASP 157 N -1.38 -2.98 -3.92 1.62 2.03 0.11 -5.01 116.55 107.01 3mhf n ASP 157 Ca 0.10 -0.67 -0.18 0.00 0.52 0.00 0.00 54.79 54.55 3mhf n ASP 157 Cb 0.30 -4.97 -0.16 0.00 -0.72 0.00 0.00 41.12 35.58 3mhf n ASP 157 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3mhf s ILE 158 N -3.41 0.49 0.35 5.18 2.07 -0.70 -4.33 121.20 120.85 3mhf s ILE 158 Ca 0.11 -0.16 -0.28 0.00 -1.41 0.00 0.00 60.65 58.90 3mhf s ILE 158 Cb -0.02 -0.48 -0.12 0.00 0.13 0.00 0.00 42.46 41.98 3mhf s ILE 158 CO 0.75 0.18 1.40 -2.65 -1.91 0.00 0.00 174.94 172.71 3mhf n PRO 159 N 3.59 2.42 -3.60 3.50 -0.02 -1.26 -4.60 135.00 135.04 3mhf n PRO 159 Ca -0.21 0.85 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 3mhf n PRO 159 Cb 0.54 -2.52 -0.11 0.00 -0.02 0.00 0.00 33.50 31.39 3mhf n PRO 159 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3mhf s PHE 160 N -1.03 3.24 -0.39 6.00 5.36 -1.26 -1.31 117.98 128.59 3mhf s PHE 160 Ca 0.55 -0.96 -0.15 0.00 -0.96 0.00 0.00 56.93 55.41 3mhf s PHE 160 Cb -0.52 -2.44 0.01 0.00 -0.34 0.00 0.00 43.02 39.73 3mhf s PHE 160 CO 0.62 -0.65 0.35 0.71 -1.46 0.00 0.00 175.22 174.79 3mhf s TYR 161 N 1.56 3.21 -0.29 10.12 1.51 0.47 -0.53 117.35 133.39 3mhf s TYR 161 Ca 0.02 -0.39 -0.11 0.00 -1.01 0.00 0.00 57.07 55.59 3mhf s TYR 161 Cb -0.19 -2.69 -0.04 0.00 -0.11 0.00 0.00 41.96 38.93 3mhf s TYR 161 CO 0.07 -0.57 0.18 -1.17 -1.11 0.00 0.00 175.55 172.95 3mhf s LEU 162 N 1.89 4.05 -0.10 -1.29 2.96 -0.33 -1.26 118.68 124.60 3mhf s LEU 162 Ca 0.08 -0.15 -0.15 0.00 -0.22 0.00 0.00 54.13 53.70 3mhf s LEU 162 Cb -0.18 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 3mhf s LEU 162 CO 0.11 -0.09 0.37 -0.70 -1.32 0.00 0.00 176.35 174.72 3mhf s GLU 163 N 1.72 4.12 -0.20 1.98 2.12 -0.13 -0.62 118.70 127.71 3mhf s GLU 163 Ca 0.07 0.28 -0.00 0.00 0.36 0.00 0.00 54.97 55.67 3mhf s GLU 163 Cb -0.16 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.89 3mhf s GLU 163 CO 0.10 0.39 -0.15 0.42 -0.54 0.00 0.00 175.26 175.48 3mhf s ILE 164 N -0.07 2.41 -0.21 -3.70 1.01 -0.56 -0.63 121.20 119.45 3mhf s ILE 164 Ca 0.21 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 59.95 3mhf s ILE 164 Cb -0.15 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.24 3mhf s ILE 164 CO 0.09 0.48 0.00 -0.76 0.00 0.00 0.00 174.94 174.75 3mhf s LEU 165 N 1.33 3.22 0.43 2.97 1.43 -0.59 -4.23 118.68 123.24 3mhf s LEU 165 Ca 0.05 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3mhf s LEU 165 Cb -0.14 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 3mhf s LEU 165 CO -0.10 0.04 0.67 0.42 0.23 0.00 0.00 176.35 177.61 3mhf s THR 166 N 1.15 4.71 0.29 5.49 -4.23 -1.26 -1.43 115.64 120.35 3mhf s THR 166 Ca 0.03 -0.24 -0.20 0.00 -1.18 0.00 0.00 61.69 60.10 3mhf s THR 166 Cb -0.14 -3.75 0.05 0.00 1.34 0.00 0.00 72.50 69.99 3mhf s THR 166 CO 0.01 -0.59 0.85 -0.72 -0.54 0.00 0.00 174.62 173.63 3mhf s TYR 167 N -2.54 -0.00 -0.09 3.99 -0.85 -1.20 -4.88 117.35 111.78 3mhf s TYR 167 Ca 0.45 -0.51 0.02 0.00 -0.52 0.00 0.00 57.07 56.51 3mhf s TYR 167 Cb -0.10 0.75 0.01 0.00 0.38 0.00 0.00 41.96 43.01 3mhf s TYR 167 CO 0.40 -1.25 -0.14 0.34 -1.52 0.00 0.00 175.55 173.37 3mhf s ASP 168 N -3.08 2.21 0.52 -0.18 2.15 -1.26 -4.23 116.67 112.79 3mhf s ASP 168 Ca 0.15 -0.38 0.34 0.00 0.43 0.00 0.00 52.55 53.09 3mhf s ASP 168 Cb -0.04 -0.99 1.49 0.00 -0.30 0.00 0.00 42.92 43.08 3mhf s ASP 168 CO 0.08 0.02 1.80 -0.33 -0.17 0.00 0.00 175.17 176.57 3mhf h GLU 169 N 7.26 0.06 -0.27 4.34 5.08 -1.96 -1.87 114.58 127.21 3mhf h GLU 169 Ca -0.30 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3mhf h GLU 169 Cb 1.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3mhf h GLU 169 CO 0.47 0.04 0.00 1.63 -1.00 0.00 0.00 179.01 180.15 3mhf n LYS 170 N -4.25 2.86 -4.09 2.33 5.02 -1.26 -4.87 118.16 113.90 3mhf n LYS 170 Ca 0.26 -2.09 -0.32 0.00 -2.02 0.00 0.00 58.31 54.14 3mhf n LYS 170 Cb 1.20 -1.31 -0.16 0.00 -0.02 0.00 0.00 35.03 34.74 3mhf n LYS 170 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3mhf s ILE 171 N -1.29 2.06 0.15 -0.18 1.01 -0.70 -5.02 121.20 117.23 3mhf s ILE 171 Ca 0.22 -1.22 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 3mhf s ILE 171 Cb 0.14 -2.01 -0.00 0.00 0.01 0.00 0.00 42.46 40.59 3mhf s ILE 171 CO 0.12 0.28 1.54 0.00 0.00 0.00 0.00 174.94 176.88 3mhf h ALA 172 N 7.88 0.64 -3.48 9.38 0.00 -1.90 -3.41 119.26 128.38 3mhf h ALA 172 Ca -0.33 -0.37 -0.67 0.00 0.00 0.00 0.00 54.91 53.54 3mhf h ALA 172 Cb 1.10 -0.16 -0.34 0.00 0.00 0.00 0.00 17.79 18.39 3mhf h ALA 172 CO 0.55 0.59 -0.76 0.34 0.00 0.00 0.00 179.25 179.97 3mhf s ASP 173 N -6.61 4.37 0.00 0.00 2.15 -1.26 -4.97 116.67 110.35 3mhf s ASP 173 Ca -0.12 -1.10 0.19 0.00 0.43 0.00 0.00 52.55 51.96 3mhf s ASP 173 Cb 0.12 -1.62 1.03 0.00 -0.30 0.00 0.00 42.92 42.14 3mhf s ASP 173 CO 0.85 -0.16 1.58 -0.46 -0.17 0.00 0.00 175.17 176.81 3mhf n ASN 174 N 4.59 0.00 -0.39 -0.34 6.94 -1.26 -1.66 115.26 123.14 3mhf n ASN 174 Ca -0.15 -0.19 0.13 0.00 -0.02 0.00 0.00 54.58 54.34 3mhf n ASN 174 Cb 0.45 -0.19 0.36 0.00 -2.36 0.00 0.00 39.78 38.04 3mhf n ASN 174 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3mhf n ALA 175 N -1.19 2.95 -1.56 -2.53 0.00 -1.26 -4.58 120.51 112.34 3mhf n ALA 175 Ca 0.11 -0.46 -0.32 0.00 0.00 0.00 0.00 53.44 52.77 3mhf n ALA 175 Cb 0.12 -1.08 0.04 0.00 0.00 0.00 0.00 19.45 18.53 3mhf n ALA 175 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3mhf s SER 176 N -2.32 5.40 0.41 0.00 1.04 -0.66 -4.88 113.70 112.69 3mhf s SER 176 Ca 0.28 1.80 0.09 0.00 0.48 0.00 0.00 55.95 58.60 3mhf s SER 176 Cb 0.20 -2.53 0.91 0.00 0.10 0.00 0.00 66.02 64.70 3mhf s SER 176 CO 0.46 -1.43 2.02 -0.65 0.98 0.00 0.00 173.24 174.62 3mhf h PRO 177 N -0.13 0.51 -0.38 4.02 0.11 -1.93 -1.41 132.00 132.80 3mhf h PRO 177 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3mhf h PRO 177 Cb 1.22 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3mhf h PRO 177 CO 0.56 0.34 0.21 1.49 -0.21 0.00 0.00 178.00 180.39 3mhf h GLU 178 N 0.53 0.53 -0.32 1.05 4.81 -1.91 -2.38 114.58 116.88 3mhf h GLU 178 Ca 0.22 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.24 3mhf h GLU 178 Cb 0.21 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3mhf h GLU 178 CO -0.06 0.42 -0.40 0.35 -0.73 0.00 0.00 179.01 178.60 3mhf h PHE 179 N 0.49 0.94 -0.89 0.92 3.57 -1.73 -2.99 116.94 117.25 3mhf h PHE 179 Ca 0.13 -0.28 0.16 0.00 3.53 0.00 0.00 57.97 61.51 3mhf h PHE 179 Cb 0.05 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.52 3mhf h PHE 179 CO -0.03 1.05 0.57 0.00 -2.23 0.00 0.00 178.31 177.68 3mhf h ALA 180 N 0.91 1.90 0.00 2.41 0.00 -0.94 0.14 119.26 123.68 3mhf h ALA 180 Ca 0.05 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3mhf h ALA 180 Cb 0.96 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3mhf h ALA 180 CO 0.09 -0.15 -0.20 0.87 0.00 0.00 0.00 179.25 179.85 3mhf h LYS 181 N 0.63 0.00 -0.04 0.00 1.57 -1.28 -3.06 116.57 114.40 3mhf h LYS 181 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3mhf h LYS 181 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3mhf h LYS 181 CO -0.21 0.20 0.00 1.33 -0.57 0.00 0.00 179.45 180.21 3mhf n VAL 182 N -3.49 0.07 -0.08 0.50 0.24 -0.35 -4.73 118.33 110.49 3mhf n VAL 182 Ca -0.01 -0.53 -0.09 0.00 -2.04 0.00 0.00 64.34 61.67 3mhf n VAL 182 Cb 0.37 1.22 -0.02 0.00 -1.47 0.00 0.00 33.84 33.94 3mhf n VAL 182 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3mhf h LYS 183 N 2.52 0.39 -0.76 7.34 3.64 -0.92 -1.84 116.57 126.94 3mhf h LYS 183 Ca 0.00 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 3mhf h LYS 183 Cb 0.55 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 3mhf h LYS 183 CO 0.00 0.30 0.44 0.00 -2.27 0.00 0.00 179.45 177.92 3mhf h ALA 184 N 1.07 1.04 0.04 5.00 0.00 -1.77 0.46 119.26 125.10 3mhf h ALA 184 Ca 0.10 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3mhf h ALA 184 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3mhf h ALA 184 CO -0.02 0.14 -0.10 1.25 0.00 0.00 0.00 179.25 180.52 3mhf h HIS 185 N 0.80 -0.25 -0.24 0.00 -0.00 -1.78 0.65 115.15 114.33 3mhf h HIS 185 Ca 0.34 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.74 3mhf h HIS 185 Cb 0.21 0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.71 3mhf h HIS 185 CO -0.06 -0.15 0.10 0.87 -0.00 0.00 0.00 177.93 178.68 3mhf h LYS 186 N -0.19 0.21 0.22 5.26 1.79 -0.73 -1.92 116.57 121.21 3mhf h LYS 186 Ca 0.02 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 3mhf h LYS 186 Cb 0.22 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3mhf h LYS 186 CO -0.07 0.14 -0.11 0.28 -1.08 0.00 0.00 179.45 178.61 3mhf h VAL 187 N 0.22 0.82 -0.33 0.50 2.07 -0.77 -2.74 116.25 116.02 3mhf h VAL 187 Ca 0.10 -0.83 -0.14 0.00 0.82 0.00 0.00 66.70 66.65 3mhf h VAL 187 Cb 0.06 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3mhf h VAL 187 CO -0.09 0.17 -0.38 0.78 0.02 0.00 0.00 177.57 178.07 3mhf h ASN 188 N -0.75 0.82 0.03 0.57 2.35 -0.91 -1.99 115.58 115.69 3mhf h ASN 188 Ca -0.03 -0.36 -0.15 0.00 -0.55 0.00 0.00 56.30 55.21 3mhf h ASN 188 Cb 0.50 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3mhf h ASN 188 CO 0.05 1.11 -0.49 -0.33 -1.65 0.00 0.00 177.43 176.12 3mhf h GLU 189 N 0.64 0.53 -0.83 0.81 4.39 -1.47 -2.01 114.58 116.64 3mhf h GLU 189 Ca 0.06 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 3mhf h GLU 189 Cb 0.93 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.56 3mhf h GLU 189 CO 0.09 0.90 0.42 0.00 -1.16 0.00 0.00 179.01 179.25 3mhf h ALA 190 N 1.05 1.06 -0.65 3.43 0.00 -1.32 -1.29 119.26 121.54 3mhf h ALA 190 Ca 0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3mhf h ALA 190 Cb 1.01 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3mhf h ALA 190 CO 0.09 0.61 0.18 0.52 0.00 0.00 0.00 179.25 180.65 3mhf h MET 191 N 1.17 1.03 -0.55 0.00 2.86 -1.21 -0.72 114.93 117.51 3mhf h MET 191 Ca 0.29 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3mhf h MET 191 Cb 0.09 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 3mhf h MET 191 CO -0.04 0.91 0.31 -0.22 1.06 0.00 0.00 176.91 178.94 3mhf h LYS 192 N 0.95 0.76 0.09 1.72 3.64 -1.03 -0.49 116.57 122.21 3mhf h LYS 192 Ca 0.21 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3mhf h LYS 192 Cb 0.34 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3mhf h LYS 192 CO -0.00 0.57 -0.04 0.28 -2.27 0.00 0.00 179.45 177.99 3mhf h VAL 193 N 0.74 0.94 -0.01 2.00 2.07 -0.95 -3.10 116.25 117.94 3mhf h VAL 193 Ca 0.20 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3mhf h VAL 193 Cb 0.03 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3mhf h VAL 193 CO -0.03 0.02 0.00 0.49 0.02 0.00 0.00 177.57 178.07 3mhf n PHE 194 N -5.12 0.00 1.19 1.57 3.01 -0.30 -2.04 117.46 115.77 3mhf n PHE 194 Ca -0.08 -0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.51 3mhf n PHE 194 Cb 0.09 0.00 0.51 0.00 -0.01 0.00 0.00 39.48 40.07 3mhf n PHE 194 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3mhf n SER 195 N -0.74 0.37 -4.77 4.37 7.64 -0.21 -4.64 113.62 115.63 3mhf n SER 195 Ca 0.22 -0.21 -0.40 0.00 1.01 0.00 0.00 58.87 59.49 3mhf n SER 195 Cb 0.16 -0.10 0.01 0.00 -1.01 0.00 0.00 64.21 63.27 3mhf n SER 195 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3mhf s LYS 196 N -2.75 3.74 0.36 1.43 1.02 -0.86 -4.89 119.74 117.79 3mhf s LYS 196 Ca 0.20 2.44 0.10 0.00 0.02 0.00 0.00 55.97 58.73 3mhf s LYS 196 Cb 0.19 -2.70 0.86 0.00 -0.52 0.00 0.00 37.83 35.66 3mhf s LYS 196 CO 0.55 -0.78 1.84 1.49 -0.92 0.00 0.00 175.35 177.53 3mhf h GLU 197 N 2.42 0.63 0.00 1.68 4.81 -1.91 -2.33 114.58 119.88 3mhf h GLU 197 Ca -0.51 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3mhf h GLU 197 Cb 1.26 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3mhf h GLU 197 CO 0.61 0.42 0.00 0.07 -0.73 0.00 0.00 179.01 179.38 3mhf h ARG 198 N 0.65 0.00 0.00 1.92 0.11 -1.96 -1.74 114.38 113.36 3mhf h ARG 198 Ca 0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.57 3mhf h ARG 198 Cb 0.88 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.96 3mhf h ARG 198 CO -0.24 0.00 -0.77 0.74 0.10 0.00 0.00 179.97 179.79 3mhf h PHE 199 N 0.00 0.00 -1.55 4.08 0.04 -1.73 -3.43 116.94 114.35 3mhf h PHE 199 Ca 0.00 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.45 3mhf h PHE 199 Cb 0.03 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.11 3mhf h PHE 199 CO 0.00 0.00 -0.35 0.41 -0.60 0.00 0.00 178.31 177.77 3mhf n GLY 200 N 1.32 0.61 3.75 -1.45 0.00 -0.66 -3.95 105.19 104.82 3mhf n GLY 200 Ca 0.02 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3mhf n GLY 200 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mhf s VAL 201 N -2.70 3.64 -0.25 1.61 1.01 -1.26 -4.62 120.40 117.83 3mhf s VAL 201 Ca 0.00 1.53 0.03 0.00 0.00 0.00 0.00 61.98 63.54 3mhf s VAL 201 Cb 0.00 -3.98 -0.18 0.00 0.00 0.00 0.00 36.38 32.23 3mhf s VAL 201 CO 0.00 0.32 -0.20 0.47 0.00 0.00 0.00 175.10 175.69 3mhf n ASP 202 N 1.76 1.88 -3.85 3.32 8.00 0.31 -4.96 116.55 123.01 3mhf n ASP 202 Ca 0.01 -0.12 -0.16 0.00 0.71 0.00 0.00 54.79 55.22 3mhf n ASP 202 Cb 0.45 -0.35 -0.15 0.00 -0.02 0.00 0.00 41.12 41.05 3mhf n ASP 202 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mhf s VAL 203 N -2.52 0.19 -0.14 2.53 1.01 -1.00 -4.15 120.40 116.32 3mhf s VAL 203 Ca -0.33 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 3mhf s VAL 203 Cb 0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.18 3mhf s VAL 203 CO 0.62 0.12 0.46 -0.76 0.00 0.00 0.00 175.10 175.53 3mhf s LEU 204 N 0.63 4.25 -0.33 3.92 1.43 -0.75 -1.19 118.68 126.64 3mhf s LEU 204 Ca -0.06 0.75 -0.10 0.00 -1.03 0.00 0.00 54.13 53.68 3mhf s LEU 204 Cb -0.09 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.48 3mhf s LEU 204 CO -0.01 -0.02 0.17 -0.75 0.23 0.00 0.00 176.35 175.97 3mhf s LYS 205 N 0.79 3.17 0.20 1.70 2.20 0.21 -0.78 119.74 127.23 3mhf s LYS 205 Ca 0.24 -0.84 0.03 0.00 -0.36 0.00 0.00 55.97 55.04 3mhf s LYS 205 Cb -0.15 -3.63 -0.05 0.00 -1.51 0.00 0.00 37.83 32.49 3mhf s LYS 205 CO 0.09 -0.51 0.01 0.14 -0.36 0.00 0.00 175.35 174.72 3mhf s VAL 206 N 1.60 0.83 0.54 4.02 -7.23 -0.24 -1.49 120.40 118.42 3mhf s VAL 206 Ca 0.04 -2.01 -0.16 0.00 -1.81 0.00 0.00 61.98 58.04 3mhf s VAL 206 Cb -0.18 -2.26 -0.07 0.00 0.56 0.00 0.00 36.38 34.44 3mhf s VAL 206 CO 0.07 -0.37 1.01 -1.61 -0.31 0.00 0.00 175.10 173.88 3mhf s GLU 207 N -3.90 3.75 0.46 4.82 2.02 -1.26 -1.61 118.70 122.98 3mhf s GLU 207 Ca 0.27 1.04 -0.24 0.00 0.02 0.00 0.00 54.97 56.07 3mhf s GLU 207 Cb 0.06 -2.10 -0.07 0.00 0.10 0.00 0.00 34.13 32.12 3mhf s GLU 207 CO 0.07 -0.45 1.27 0.14 0.02 0.00 0.00 175.26 176.32 3mhf s VAL 208 N -2.55 2.63 -0.87 2.63 -7.23 -1.26 -4.89 120.40 108.85 3mhf s VAL 208 Ca 0.61 0.51 0.01 0.00 -1.81 0.00 0.00 61.98 61.29 3mhf s VAL 208 Cb -0.12 -3.28 0.05 0.00 0.56 0.00 0.00 36.38 33.60 3mhf s VAL 208 CO 0.33 0.03 0.62 -0.81 -0.31 0.00 0.00 175.10 174.96 3mhf n PRO 209 N -0.37 1.25 -3.70 4.82 -0.04 -1.26 -4.77 135.00 130.93 3mhf n PRO 209 Ca 0.07 -0.21 -0.14 0.00 -0.04 0.00 0.00 63.50 63.17 3mhf n PRO 209 Cb 0.45 -1.51 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 3mhf n PRO 209 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3mhf s VAL 210 N -1.05 0.04 -0.66 0.52 0.11 -1.26 -2.99 120.40 115.11 3mhf s VAL 210 Ca 0.04 -0.31 -0.23 0.00 -2.93 0.00 0.00 61.98 58.54 3mhf s VAL 210 Cb 0.03 -0.71 0.06 0.00 -1.53 0.00 0.00 36.38 34.23 3mhf s VAL 210 CO 0.01 -0.17 1.01 0.21 -3.33 0.00 0.00 175.10 172.83 3mhf s ASN 211 N -1.15 6.19 0.62 3.54 3.84 -1.26 -4.90 114.94 121.83 3mhf s ASN 211 Ca -0.12 -0.83 0.36 0.00 0.21 0.00 0.00 52.86 52.49 3mhf s ASN 211 Cb -0.04 -2.44 2.09 0.00 -0.55 0.00 0.00 41.25 40.31 3mhf s ASN 211 CO 0.05 -1.48 2.31 0.24 -2.79 0.00 0.00 177.10 175.43 3mhf h MET 212 N 9.61 0.00 0.00 0.43 2.86 -1.97 -1.36 114.93 124.50 3mhf h MET 212 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3mhf h MET 212 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 3mhf h MET 212 CO 1.19 0.00 0.00 1.63 1.06 0.00 0.00 176.91 180.79 3mhf n LYS 213 N -3.52 0.17 -0.38 1.72 5.02 -1.26 -1.65 118.16 118.25 3mhf n LYS 213 Ca -0.03 0.55 0.08 0.00 -2.02 0.00 0.00 58.31 56.88 3mhf n LYS 213 Cb 0.08 -1.93 0.24 0.00 -0.02 0.00 0.00 35.03 33.39 3mhf n LYS 213 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3mhf n PHE 214 N -2.27 0.86 -3.98 2.13 3.01 -0.51 -4.20 117.46 112.51 3mhf n PHE 214 Ca 0.00 -0.70 -0.35 0.00 1.01 0.00 0.00 57.45 57.41 3mhf n PHE 214 Cb 0.12 -0.21 -0.11 0.00 -0.01 0.00 0.00 39.48 39.28 3mhf n PHE 214 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3mhf s VAL 215 N -2.04 4.58 -0.36 -4.37 1.01 -0.66 -0.73 120.40 117.83 3mhf s VAL 215 Ca 0.37 -0.10 -0.44 0.00 0.00 0.00 0.00 61.98 61.80 3mhf s VAL 215 Cb 0.26 -3.08 -0.20 0.00 0.00 0.00 0.00 36.38 33.36 3mhf s VAL 215 CO 0.13 0.42 1.43 1.21 0.00 0.00 0.00 175.10 178.30 3mhf n GLU 216 N 3.95 0.00 0.00 2.72 4.07 0.21 -0.28 120.64 131.31 3mhf n GLU 216 Ca -0.16 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.94 3mhf n GLU 216 Cb 0.52 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.43 3mhf n GLU 216 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mhf n GLY 217 N 3.28 3.37 0.00 8.31 0.00 -1.26 -4.46 105.19 114.43 3mhf n GLY 217 Ca 0.28 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.33 3mhf n GLY 217 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mhf n PHE 218 N -1.56 0.00 -2.82 1.61 3.01 0.61 -5.04 117.46 113.28 3mhf n PHE 218 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.06 3mhf n PHE 218 Cb 0.00 -0.12 -0.06 0.00 -0.01 0.00 0.00 39.48 39.29 3mhf n PHE 218 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3mhf s ALA 219 N -2.28 3.36 -0.13 4.37 0.00 -0.51 -4.77 121.76 121.80 3mhf s ALA 219 Ca -0.01 0.54 0.18 0.00 0.00 0.00 0.00 51.96 52.67 3mhf s ALA 219 Cb 0.04 -3.14 -0.23 0.00 0.00 0.00 0.00 23.12 19.79 3mhf s ALA 219 CO 0.25 0.23 0.44 -0.25 0.00 0.00 0.00 175.76 176.44 3mhf n ASP 220 N 1.47 0.35 0.00 0.00 8.00 -1.26 -4.99 116.55 120.12 3mhf n ASP 220 Ca -0.03 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.63 3mhf n ASP 220 Cb 0.48 0.83 0.00 0.00 -0.02 0.00 0.00 41.12 42.40 3mhf n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mhf n GLY 221 N 1.53 3.27 3.63 0.44 0.00 -1.26 -5.08 105.19 107.72 3mhf n GLY 221 Ca -0.19 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 3mhf n GLY 221 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3mhf n GLU 222 N 0.00 1.42 -3.83 1.61 2.13 -1.26 -4.99 120.64 115.72 3mhf n GLU 222 Ca 0.00 0.51 -0.36 0.00 0.66 0.00 0.00 57.16 57.97 3mhf n GLU 222 Cb 0.00 -2.14 -0.13 0.00 0.27 0.00 0.00 31.44 29.44 3mhf n GLU 222 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3mhf s VAL 223 N -1.29 3.50 -0.11 6.31 1.01 -1.26 -4.61 120.40 123.95 3mhf s VAL 223 Ca 0.64 -1.02 0.15 0.00 0.00 0.00 0.00 61.98 61.76 3mhf s VAL 223 Cb -0.52 -2.89 -0.23 0.00 0.00 0.00 0.00 36.38 32.74 3mhf s VAL 223 CO 0.56 -0.00 0.46 0.18 0.00 0.00 0.00 175.10 176.29 3mhf n LEU 224 N 4.76 0.54 -4.08 3.92 4.77 0.09 -4.97 117.00 122.03 3mhf n LEU 224 Ca -0.14 0.26 -0.18 0.00 -0.03 0.00 0.00 56.01 55.92 3mhf n LEU 224 Cb 0.46 0.28 -0.13 0.00 -2.33 0.00 0.00 43.42 41.69 3mhf n LEU 224 CO 0.30 0.40 -0.44 -0.36 -1.33 0.00 0.00 177.39 175.96 3mhf s PHE 225 N -2.60 0.96 0.74 -1.77 0.08 -0.86 -5.05 117.98 109.48 3mhf s PHE 225 Ca -0.06 -0.31 -0.12 0.00 0.12 0.00 0.00 56.93 56.56 3mhf s PHE 225 Cb 0.07 -0.58 0.04 0.00 -0.57 0.00 0.00 43.02 41.98 3mhf s PHE 225 CO 0.83 -0.00 1.11 0.95 -0.10 0.00 0.00 175.22 178.00 3mhf s THR 226 N -0.75 3.17 0.29 0.64 -4.23 -1.26 -0.62 115.64 112.88 3mhf s THR 226 Ca -0.00 0.38 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 3mhf s THR 226 Cb -0.07 -3.32 0.17 0.00 1.34 0.00 0.00 72.50 70.63 3mhf s THR 226 CO 0.01 -0.50 1.85 0.11 -0.54 0.00 0.00 174.62 175.55 3mhf h LYS 227 N -0.82 0.84 -0.76 3.99 1.57 -1.94 -1.20 116.57 118.26 3mhf h LYS 227 Ca -0.46 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.12 3mhf h LYS 227 Cb 1.27 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 3mhf h LYS 227 CO 0.63 0.73 0.26 1.49 -0.57 0.00 0.00 179.45 181.99 3mhf h GLU 228 N 0.82 1.16 -0.40 3.15 4.57 -1.96 0.16 114.58 122.08 3mhf h GLU 228 Ca 0.19 -0.23 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 3mhf h GLU 228 Cb 0.23 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 3mhf h GLU 228 CO -0.01 0.97 0.05 0.93 -1.18 0.00 0.00 179.01 179.76 3mhf h GLU 229 N 1.12 0.68 -0.56 1.92 5.08 -1.80 -0.90 114.58 120.11 3mhf h GLU 229 Ca 0.25 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3mhf h GLU 229 Cb 0.27 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3mhf h GLU 229 CO -0.01 0.74 0.37 0.00 -1.00 0.00 0.00 179.01 179.11 3mhf h ALA 230 N 0.91 0.71 -0.91 3.43 0.00 -0.94 -2.43 119.26 120.03 3mhf h ALA 230 Ca 0.12 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3mhf h ALA 230 Cb 0.40 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3mhf h ALA 230 CO 0.01 0.15 0.60 0.00 0.00 0.00 0.00 179.25 180.01 3mhf h ALA 231 N 1.20 1.17 -0.16 0.00 0.00 -0.51 -1.89 119.26 119.08 3mhf h ALA 231 Ca 0.20 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3mhf h ALA 231 Cb -0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 3mhf h ALA 231 CO -0.04 0.52 -0.15 0.37 0.00 0.00 0.00 179.25 179.94 3mhf h GLN 232 N 1.20 0.27 -0.55 0.00 5.75 -0.83 -1.96 115.11 118.99 3mhf h GLN 232 Ca 0.34 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.69 3mhf h GLN 232 Cb -0.09 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 3mhf h GLN 232 CO -0.09 0.43 0.01 0.00 -2.65 0.00 0.00 178.83 176.53 3mhf h ALA 233 N 1.60 0.99 -0.52 3.38 0.00 -0.88 0.15 119.26 123.97 3mhf h ALA 233 Ca 0.05 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3mhf h ALA 233 Cb 0.43 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3mhf h ALA 233 CO 0.03 0.62 -0.08 0.74 0.00 0.00 0.00 179.25 180.55 3mhf h PHE 234 N 0.86 1.09 -0.61 0.00 0.04 -1.10 -1.03 116.94 116.20 3mhf h PHE 234 Ca 0.16 -0.22 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 3mhf h PHE 234 Cb 0.49 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 3mhf h PHE 234 CO 0.03 1.02 0.13 0.00 -0.60 0.00 0.00 178.31 178.90 3mhf h ARG 235 N 0.85 0.99 -0.93 1.51 3.08 -1.03 -1.03 114.38 117.82 3mhf h ARG 235 Ca 0.14 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 59.97 3mhf h ARG 235 Cb 0.64 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 3mhf h ARG 235 CO 0.04 0.91 0.61 -0.44 -1.07 0.00 0.00 179.97 180.03 3mhf h ASP 236 N 0.90 1.03 -0.31 7.04 3.32 -0.57 -0.64 116.42 127.19 3mhf h ASP 236 Ca 0.19 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3mhf h ASP 236 Cb 0.38 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3mhf h ASP 236 CO 0.00 0.72 0.12 -0.61 -1.72 0.00 0.00 179.24 177.75 3mhf h GLN 237 N 1.20 0.47 -0.57 3.56 4.15 -0.72 -2.18 115.11 121.03 3mhf h GLN 237 Ca 0.36 -0.09 0.03 0.00 0.77 0.00 0.00 58.65 59.72 3mhf h GLN 237 Cb -0.04 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 3mhf h GLN 237 CO -0.10 0.48 0.38 1.49 -1.93 0.00 0.00 178.83 179.15 3mhf h GLU 238 N 0.35 0.63 -0.00 1.69 4.57 -0.72 -1.38 114.58 119.72 3mhf h GLU 238 Ca 0.10 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3mhf h GLU 238 Cb 0.19 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 3mhf h GLU 238 CO -0.01 0.42 -0.03 0.00 -1.18 0.00 0.00 179.01 178.22 3mhf n ALA 239 N -2.47 2.66 0.77 2.92 0.00 -0.29 -3.59 120.51 120.52 3mhf n ALA 239 Ca 0.07 -0.25 0.12 0.00 0.00 0.00 0.00 53.44 53.38 3mhf n ALA 239 Cb 0.14 -1.41 0.30 0.00 0.00 0.00 0.00 19.45 18.48 3mhf n ALA 239 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mhf n SER 240 N -0.83 0.55 -3.58 0.00 3.41 -0.52 -4.94 113.62 107.71 3mhf n SER 240 Ca 0.20 0.15 -0.15 0.00 -0.26 0.00 0.00 58.87 58.80 3mhf n SER 240 Cb 0.21 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.04 3mhf n SER 240 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3mhf s THR 241 N -3.08 0.02 -1.05 6.66 -1.32 -1.24 -3.72 115.64 111.91 3mhf s THR 241 Ca 0.09 -0.17 0.10 0.00 -1.21 0.00 0.00 61.69 60.51 3mhf s THR 241 Cb 0.15 -0.93 0.23 0.00 -1.51 0.00 0.00 72.50 70.44 3mhf s THR 241 CO 0.67 -0.09 1.11 -0.67 -2.21 0.00 0.00 174.62 173.43 3mhf n ASP 242 N 0.73 2.57 -4.84 8.08 2.03 -1.26 -4.92 116.55 118.93 3mhf n ASP 242 Ca -0.19 -1.82 -0.32 0.00 0.52 0.00 0.00 54.79 52.98 3mhf n ASP 242 Cb 0.58 -0.15 -0.03 0.00 -0.72 0.00 0.00 41.12 40.80 3mhf n ASP 242 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3mhf s LEU 243 N -0.97 3.61 0.33 -2.67 1.43 -1.26 -4.77 118.68 114.38 3mhf s LEU 243 Ca 0.19 1.56 -0.29 0.00 -1.03 0.00 0.00 54.13 54.56 3mhf s LEU 243 Cb 0.11 -4.50 -0.12 0.00 0.03 0.00 0.00 46.19 41.71 3mhf s LEU 243 CO 0.15 -0.59 1.41 -2.65 0.23 0.00 0.00 176.35 174.90 3mhf n PRO 244 N -1.62 2.37 -4.04 1.29 -0.02 -1.26 -4.91 135.00 126.82 3mhf n PRO 244 Ca 0.06 0.83 -0.12 0.00 -2.02 0.00 0.00 63.50 62.26 3mhf n PRO 244 Cb 0.54 -2.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.40 3mhf n PRO 244 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3mhf s TYR 245 N -0.78 0.54 0.11 6.00 -0.85 -1.26 -1.81 117.35 119.30 3mhf s TYR 245 Ca 0.58 -0.50 0.05 0.00 -0.52 0.00 0.00 57.07 56.67 3mhf s TYR 245 Cb -0.54 -0.34 -0.04 0.00 0.38 0.00 0.00 41.96 41.43 3mhf s TYR 245 CO 0.59 -0.12 -0.12 0.96 -1.52 0.00 0.00 175.55 175.34 3mhf s ILE 246 N -1.39 1.12 0.03 -3.49 -4.36 0.04 -0.72 121.20 112.43 3mhf s ILE 246 Ca -0.12 -1.64 -0.09 0.00 -0.26 0.00 0.00 60.65 58.55 3mhf s ILE 246 Cb -0.10 -1.40 -0.05 0.00 1.25 0.00 0.00 42.46 42.16 3mhf s ILE 246 CO -0.00 -0.47 0.33 -0.31 0.24 0.00 0.00 174.94 174.73 3mhf s TYR 247 N -2.20 3.60 0.09 1.37 2.02 -0.71 -1.07 117.35 120.45 3mhf s TYR 247 Ca 0.06 0.70 0.02 0.00 -0.37 0.00 0.00 57.07 57.48 3mhf s TYR 247 Cb -0.04 -2.08 -0.04 0.00 -0.40 0.00 0.00 41.96 39.39 3mhf s TYR 247 CO 0.02 0.58 0.17 -0.48 -1.57 0.00 0.00 175.55 174.27 3mhf s LEU 248 N -1.72 4.12 -0.08 -1.29 0.05 -0.63 -1.72 118.68 117.41 3mhf s LEU 248 Ca 0.29 0.12 -0.12 0.00 0.05 0.00 0.00 54.13 54.47 3mhf s LEU 248 Cb -0.14 -2.75 -0.05 0.00 -2.05 0.00 0.00 46.19 41.21 3mhf s LEU 248 CO 0.16 0.14 0.30 -0.55 -0.55 0.00 0.00 176.35 175.84 3mhf s SER 249 N -2.67 6.58 -0.19 1.48 0.15 -1.26 -4.47 113.70 113.32 3mhf s SER 249 Ca 0.33 0.69 -0.16 0.00 0.70 0.00 0.00 55.95 57.51 3mhf s SER 249 Cb -0.12 -2.18 0.05 0.00 -1.71 0.00 0.00 66.02 62.06 3mhf s SER 249 CO 0.26 0.28 0.49 0.00 1.20 0.00 0.00 173.24 175.47 3mhf s ALA 250 N -0.62 -1.23 -0.24 5.45 0.00 -1.26 -4.94 121.76 118.92 3mhf s ALA 250 Ca 0.19 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.64 3mhf s ALA 250 Cb -0.14 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.10 3mhf s ALA 250 CO 0.08 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.00 3mhf n GLY 251 N 3.20 0.38 3.21 0.00 0.00 -1.26 -4.96 105.19 105.77 3mhf n GLY 251 Ca -0.16 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 3mhf n GLY 251 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mhf s VAL 252 N -1.54 0.79 0.77 1.61 -7.23 -1.26 -5.04 120.40 108.50 3mhf s VAL 252 Ca 0.00 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 3mhf s VAL 252 Cb 0.00 -1.83 0.05 0.00 0.56 0.00 0.00 36.38 35.16 3mhf s VAL 252 CO 0.00 -0.74 1.08 -0.94 -0.31 0.00 0.00 175.10 174.19 3mhf s SER 253 N -3.10 4.62 0.33 4.85 1.04 -1.26 -4.83 113.70 115.34 3mhf s SER 253 Ca 0.16 1.67 0.02 0.00 0.48 0.00 0.00 55.95 58.28 3mhf s SER 253 Cb 0.05 -2.42 0.60 0.00 0.10 0.00 0.00 66.02 64.35 3mhf s SER 253 CO -0.01 -1.94 1.94 0.00 0.98 0.00 0.00 173.24 174.21 3mhf h ALA 254 N -1.06 1.57 -0.30 5.32 0.00 -1.99 -0.40 119.26 122.40 3mhf h ALA 254 Ca -0.45 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3mhf h ALA 254 Cb 1.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3mhf h ALA 254 CO 0.54 0.32 -0.03 -0.22 0.00 0.00 0.00 179.25 179.86 3mhf h LYS 255 N 0.93 0.56 -0.60 0.00 3.11 -1.99 -1.62 116.57 116.96 3mhf h LYS 255 Ca 0.34 -0.20 -0.08 0.00 -2.81 0.00 0.00 60.65 57.90 3mhf h LYS 255 Cb 0.15 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.32 3mhf h LYS 255 CO -0.11 0.72 0.05 1.25 -2.81 0.00 0.00 179.45 178.55 3mhf h LEU 256 N 0.34 0.97 -0.18 5.20 5.85 -1.72 0.13 115.31 125.89 3mhf h LEU 256 Ca 0.08 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 3mhf h LEU 256 Cb 0.50 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3mhf h LEU 256 CO 0.02 1.00 0.11 0.15 -0.34 0.00 0.00 178.44 179.38 3mhf h PHE 257 N 0.93 0.24 -0.54 1.25 3.57 -1.01 0.21 116.94 121.58 3mhf h PHE 257 Ca 0.18 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.72 3mhf h PHE 257 Cb 0.48 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 3mhf h PHE 257 CO 0.03 0.19 0.30 1.96 -2.23 0.00 0.00 178.31 178.57 3mhf h GLN 258 N 0.22 0.57 -0.28 1.11 4.20 -1.00 0.19 115.11 120.11 3mhf h GLN 258 Ca 0.07 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 3mhf h GLN 258 Cb 0.02 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3mhf h GLN 258 CO -0.01 0.38 0.07 -0.44 -0.67 0.00 0.00 178.83 178.15 3mhf h ASP 259 N 0.59 0.37 -0.41 1.46 3.32 -0.67 -2.25 116.42 118.82 3mhf h ASP 259 Ca 0.23 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 3mhf h ASP 259 Cb 0.09 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3mhf h ASP 259 CO -0.13 0.38 -0.03 0.74 -1.72 0.00 0.00 179.24 178.48 3mhf h THR 260 N 0.40 1.27 -0.81 0.35 2.02 0.67 -0.57 112.91 116.24 3mhf h THR 260 Ca 0.10 -1.07 0.05 0.00 0.77 0.00 0.00 66.41 66.26 3mhf h THR 260 Cb 0.17 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 3mhf h THR 260 CO -0.00 0.36 0.51 -0.07 0.37 0.00 0.00 175.52 176.69 3mhf h LEU 261 N 0.58 0.81 -0.38 2.58 3.38 -0.60 0.43 115.31 122.10 3mhf h LEU 261 Ca 0.11 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3mhf h LEU 261 Cb 0.52 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3mhf h LEU 261 CO 0.03 0.54 0.10 0.58 0.09 0.00 0.00 178.44 179.78 3mhf h VAL 262 N 0.95 1.22 -0.57 1.22 2.07 -1.15 -1.89 116.25 118.10 3mhf h VAL 262 Ca 0.34 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 3mhf h VAL 262 Cb 0.10 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3mhf h VAL 262 CO -0.15 0.26 0.20 0.15 0.02 0.00 0.00 177.57 178.05 3mhf h PHE 263 N 0.47 0.90 -0.19 1.57 3.57 -0.41 -0.83 116.94 122.02 3mhf h PHE 263 Ca 0.12 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.58 3mhf h PHE 263 Cb 0.29 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 3mhf h PHE 263 CO 0.01 0.74 -0.05 0.00 -2.23 0.00 0.00 178.31 176.79 3mhf h ALA 264 N 1.06 0.12 -0.41 2.41 0.00 -0.05 0.55 119.26 122.93 3mhf h ALA 264 Ca 0.19 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3mhf h ALA 264 Cb 0.25 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3mhf h ALA 264 CO -0.01 -0.48 0.12 0.00 0.00 0.00 0.00 179.25 178.88 3mhf h ALA 265 N 1.18 0.54 -0.68 0.00 0.00 -1.14 -0.59 119.26 118.56 3mhf h ALA 265 Ca 0.09 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3mhf h ALA 265 Cb 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3mhf h ALA 265 CO -0.20 0.20 0.45 0.93 0.00 0.00 0.00 179.25 180.63 3mhf h GLU 266 N 0.53 0.77 0.00 0.00 5.08 -0.88 -2.43 114.58 117.64 3mhf h GLU 266 Ca 0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3mhf h GLU 266 Cb 0.27 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3mhf h GLU 266 CO -0.00 0.51 0.00 0.77 -1.00 0.00 0.00 179.01 179.29 3mhf h SER 267 N 0.79 0.00 0.00 1.42 0.02 -0.48 -3.47 113.55 111.83 3mhf h SER 267 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3mhf h SER 267 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3mhf h SER 267 CO -0.08 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.22 3mhf n GLY 268 N 0.70 1.35 3.70 -3.77 0.00 -0.90 -4.66 105.19 101.62 3mhf n GLY 268 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3mhf n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhf s ALA 269 N -2.00 3.41 -0.92 4.61 0.00 -0.28 -4.88 121.76 121.69 3mhf s ALA 269 Ca 0.00 0.73 -0.00 0.00 0.00 0.00 0.00 51.96 52.69 3mhf s ALA 269 Cb 0.00 -3.46 0.33 0.00 0.00 0.00 0.00 23.12 19.99 3mhf s ALA 269 CO 0.00 -0.54 1.71 1.63 0.00 0.00 0.00 175.76 178.55 3mhf n LYS 270 N 4.43 4.71 -1.67 0.00 5.02 -1.26 -4.26 118.16 125.13 3mhf n LYS 270 Ca 0.09 -4.54 -0.32 0.00 -2.02 0.00 0.00 58.31 51.52 3mhf n LYS 270 Cb 0.47 -2.40 0.05 0.00 -0.02 0.00 0.00 35.03 33.12 3mhf n LYS 270 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3mhf s PHE 271 N -4.16 2.76 -0.33 2.13 -0.12 -1.26 -4.67 117.98 112.34 3mhf s PHE 271 Ca 0.42 1.52 0.14 0.00 -0.05 0.00 0.00 56.93 58.97 3mhf s PHE 271 Cb 0.24 -3.06 0.37 0.00 -0.63 0.00 0.00 43.02 39.94 3mhf s PHE 271 CO -0.17 -1.52 1.28 0.09 -0.05 0.00 0.00 175.22 174.84 3mhf n ASN 272 N -2.72 3.13 0.00 1.98 4.13 0.10 -0.37 115.26 121.52 3mhf n ASN 272 Ca 0.09 -2.66 0.00 0.00 1.68 0.00 0.00 54.58 53.69 3mhf n ASN 272 Cb 0.53 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 3mhf n ASN 272 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mhf n GLY 273 N -0.44 0.86 3.07 7.41 0.00 -1.26 -0.80 105.19 114.02 3mhf n GLY 273 Ca 0.15 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 3mhf n GLY 273 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mhf s VAL 274 N -2.67 0.24 -0.48 1.61 -7.23 -0.01 -1.74 120.40 110.12 3mhf s VAL 274 Ca 0.00 -1.55 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 3mhf s VAL 274 Cb 0.00 -1.16 0.13 0.00 0.56 0.00 0.00 36.38 35.91 3mhf s VAL 274 CO 0.00 -0.83 0.23 -0.22 -0.31 0.00 0.00 175.10 173.97 3mhf s LEU 275 N -2.49 4.07 0.18 1.32 0.20 -0.70 -1.65 118.68 119.61 3mhf s LEU 275 Ca 0.01 -2.83 0.06 0.00 0.69 0.00 0.00 54.13 52.06 3mhf s LEU 275 Cb 0.02 -1.53 -0.05 0.00 -0.43 0.00 0.00 46.19 44.21 3mhf s LEU 275 CO -0.07 -0.26 -0.12 0.00 -0.29 0.00 0.00 176.35 175.61 3mhf n GLY 277 N -0.30 -1.96 0.20 0.00 0.00 -1.26 -0.31 105.19 101.56 3mhf n GLY 277 Ca -0.09 0.56 -0.03 0.00 0.00 0.00 0.00 46.02 46.46 3mhf n GLY 277 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3mhf n ARG 278 N -1.92 -0.17 -0.23 1.61 0.63 -1.26 0.11 116.66 115.43 3mhf n ARG 278 Ca 0.00 0.75 0.31 0.00 -0.92 0.00 0.00 57.85 57.99 3mhf n ARG 278 Cb 0.00 -1.10 0.73 0.00 0.45 0.00 0.00 32.46 32.54 3mhf n ARG 278 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3mhf h ALA 279 N 0.46 2.92 0.00 5.13 0.00 -1.96 0.32 119.26 126.12 3mhf h ALA 279 Ca 0.12 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 3mhf h ALA 279 Cb 0.25 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3mhf h ALA 279 CO -0.47 -1.28 -1.76 0.25 0.00 0.00 0.00 179.25 175.98 3mhf n THR 280 N -4.10 1.07 0.32 0.00 -2.24 0.29 -4.45 114.28 105.17 3mhf n THR 280 Ca 0.21 -0.71 0.05 0.00 -2.27 0.00 0.00 64.05 61.34 3mhf n THR 280 Cb 1.11 -0.57 -0.07 0.00 -2.10 0.00 0.00 70.33 68.69 3mhf n THR 280 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 3mhf n TRP 281 N -2.76 0.00 -0.27 4.78 4.27 -0.78 -4.40 117.44 118.29 3mhf n TRP 281 Ca -0.15 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.54 3mhf n TRP 281 Cb 0.89 -0.10 0.21 0.00 -1.36 0.00 0.00 31.31 30.95 3mhf n TRP 281 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3mhf h ALA 282 N 1.36 1.02 0.00 -1.67 0.00 -0.62 0.74 119.26 120.10 3mhf h ALA 282 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3mhf h ALA 282 Cb 0.36 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3mhf h ALA 282 CO 0.00 -0.39 0.00 0.78 0.00 0.00 0.00 179.25 179.64 3mhf h GLY 283 N 0.22 0.00 2.00 0.00 0.00 -1.85 -2.58 103.07 100.87 3mhf h GLY 283 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 3mhf h GLY 283 CO -0.58 0.00 0.00 1.48 0.00 0.00 0.00 176.54 177.44 3mhf h SER 284 N 0.00 0.00 0.23 0.19 4.64 -1.18 -3.29 113.55 114.14 3mhf h SER 284 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3mhf h SER 284 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3mhf h SER 284 CO 0.00 0.00 -0.11 0.58 -0.87 0.00 0.00 176.83 176.43 3mhf h VAL 285 N 0.00 0.84 -0.76 0.95 2.07 -1.54 0.30 116.25 118.11 3mhf h VAL 285 Ca 0.00 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.20 3mhf h VAL 285 Cb 0.77 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3mhf h VAL 285 CO 0.00 0.08 0.47 0.50 0.02 0.00 0.00 177.57 178.64 3mhf h LYS 286 N -0.48 0.87 -0.50 1.57 3.64 -1.76 -0.96 116.57 118.95 3mhf h LYS 286 Ca -0.03 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 3mhf h LYS 286 Cb 0.36 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3mhf h LYS 286 CO 0.05 0.57 0.16 0.28 -2.27 0.00 0.00 179.45 178.25 3mhf h VAL 287 N 0.89 1.23 -0.43 2.00 2.07 -1.57 -1.02 116.25 119.42 3mhf h VAL 287 Ca 0.31 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3mhf h VAL 287 Cb 0.08 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3mhf h VAL 287 CO -0.13 0.28 0.26 0.22 0.02 0.00 0.00 177.57 178.22 3mhf h TYR 288 N 0.67 0.56 -0.24 1.57 3.20 0.05 0.24 116.97 123.03 3mhf h TYR 288 Ca 0.16 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.93 3mhf h TYR 288 Cb 0.26 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 3mhf h TYR 288 CO 0.01 0.39 -0.27 0.82 -1.64 0.00 0.00 178.16 177.46 3mhf h ILE 289 N 0.57 1.32 0.13 1.81 1.08 -0.99 -1.58 117.51 119.85 3mhf h ILE 289 Ca 0.15 -1.46 -0.30 0.00 -0.39 0.00 0.00 64.86 62.87 3mhf h ILE 289 Cb -0.02 1.71 -0.00 0.00 -3.07 0.00 0.00 36.82 35.44 3mhf h ILE 289 CO -0.03 0.45 -1.43 -0.33 -0.69 0.00 0.00 178.15 176.12 3mhf h GLU 290 N 0.31 0.27 0.00 2.37 5.08 -1.19 -3.41 114.58 118.01 3mhf h GLU 290 Ca 0.03 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3mhf h GLU 290 Cb 0.84 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3mhf h GLU 290 CO 0.07 1.16 -0.57 0.39 -1.00 0.00 0.00 179.01 179.06 3mhf n GLU 291 N -3.49 3.49 0.00 2.33 1.02 0.83 -5.08 120.64 119.75 3mhf n GLU 291 Ca -0.14 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 3mhf n GLU 291 Cb 1.04 -0.83 0.00 0.00 -0.02 0.00 0.00 31.44 31.63 3mhf n GLU 291 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mhf n GLY 292 N 1.59 1.02 0.45 0.62 0.00 -0.59 -4.51 105.19 103.77 3mhf n GLY 292 Ca 0.00 -2.03 -0.16 0.00 0.00 0.00 0.00 46.02 43.83 3mhf n GLY 292 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mhf h PRO 293 N 0.00 -0.77 -0.63 1.61 0.11 -1.89 -0.99 132.00 129.44 3mhf h PRO 293 Ca 0.00 0.05 0.10 0.00 0.11 0.00 0.00 66.00 66.26 3mhf h PRO 293 Cb 0.00 0.18 -0.08 0.00 0.11 0.00 0.00 31.00 31.21 3mhf h PRO 293 CO 0.00 -0.52 0.24 0.37 -0.21 0.00 0.00 178.00 177.88 3mhf h GLN 294 N -0.80 0.40 -0.80 1.05 5.75 -1.98 0.21 115.11 118.94 3mhf h GLN 294 Ca -0.02 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 3mhf h GLN 294 Cb 0.76 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.18 3mhf h GLN 294 CO -0.16 0.27 0.37 0.00 -2.65 0.00 0.00 178.83 176.65 3mhf h ALA 295 N 1.44 1.14 -0.51 3.38 0.00 -1.73 -1.63 119.26 121.35 3mhf h ALA 295 Ca 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3mhf h ALA 295 Cb 0.41 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3mhf h ALA 295 CO -0.32 0.64 0.27 0.00 0.00 0.00 0.00 179.25 179.85 3mhf h ALA 296 N 1.26 0.65 -0.42 0.00 0.00 0.61 -1.56 119.26 119.80 3mhf h ALA 296 Ca 0.27 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3mhf h ALA 296 Cb 0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3mhf h ALA 296 CO -0.03 0.17 0.10 0.00 0.00 0.00 0.00 179.25 179.50 3mhf h ARG 297 N 0.67 0.24 -0.73 0.00 3.08 -0.19 -0.70 114.38 116.76 3mhf h ARG 297 Ca 0.18 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 3mhf h ARG 297 Cb 0.06 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3mhf h ARG 297 CO -0.03 0.16 0.30 1.49 -1.07 0.00 0.00 179.97 180.81 3mhf h GLU 298 N 0.24 1.08 -0.37 0.04 4.57 -0.97 -0.09 114.58 119.09 3mhf h GLU 298 Ca 0.20 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3mhf h GLU 298 Cb 0.23 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3mhf h GLU 298 CO -0.25 0.87 0.19 2.35 -1.18 0.00 0.00 179.01 180.99 3mhf h TRP 299 N 1.06 0.53 -0.51 0.92 7.01 -0.69 -2.38 115.95 121.88 3mhf h TRP 299 Ca 0.25 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.19 3mhf h TRP 299 Cb 0.19 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.06 3mhf h TRP 299 CO 0.02 0.44 0.17 -0.07 -2.79 0.00 0.00 178.44 176.20 3mhf h LEU 300 N 0.47 0.68 -0.44 0.65 3.38 -0.52 0.16 115.31 119.69 3mhf h LEU 300 Ca 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3mhf h LEU 300 Cb 0.10 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3mhf h LEU 300 CO -0.02 0.65 0.00 0.03 0.09 0.00 0.00 178.44 179.19 3mhf h ARG 301 N 0.73 0.00 0.00 1.13 3.08 -0.81 -0.64 114.38 117.87 3mhf h ARG 301 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3mhf h ARG 301 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3mhf h ARG 301 CO -0.01 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.14 3mhf n THR 302 N -2.56 0.00 -0.14 2.04 -2.24 -0.89 -4.47 114.28 106.01 3mhf n THR 302 Ca 0.03 0.09 -0.12 0.00 -2.27 0.00 0.00 64.05 61.79 3mhf n THR 302 Cb 0.37 -0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 67.67 3mhf n THR 302 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3mhf h GLU 303 N 0.00 0.83 -0.36 -0.78 4.39 -0.95 -1.38 114.58 116.33 3mhf h GLU 303 Ca 0.00 -0.35 0.02 0.00 0.34 0.00 0.00 59.36 59.37 3mhf h GLU 303 Cb 0.00 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3mhf h GLU 303 CO 0.00 0.98 0.20 0.78 -1.16 0.00 0.00 179.01 179.81 3mhf h GLY 304 N 0.64 0.49 0.92 -3.84 0.00 -1.22 -1.02 103.07 99.03 3mhf h GLY 304 Ca 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3mhf h GLY 304 CO 0.05 0.13 0.12 -2.75 0.00 0.00 0.00 176.54 174.09 3mhf h PHE 305 N 0.41 0.44 -0.73 5.60 3.57 -1.03 -1.09 116.94 124.11 3mhf h PHE 305 Ca 0.14 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.68 3mhf h PHE 305 Cb 0.02 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.56 3mhf h PHE 305 CO -0.08 0.43 0.41 -0.22 -2.23 0.00 0.00 178.31 176.63 3mhf h LYS 306 N 0.32 0.71 0.08 1.11 3.64 -1.04 0.15 116.57 121.53 3mhf h LYS 306 Ca 0.10 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3mhf h LYS 306 Cb 0.18 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3mhf h LYS 306 CO -0.01 0.47 -0.04 -0.91 -2.27 0.00 0.00 179.45 176.70 3mhf h ASN 307 N 0.73 -0.09 0.40 4.20 2.35 -0.86 -2.47 115.58 119.85 3mhf h ASN 307 Ca 0.34 -0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.89 3mhf h ASN 307 Cb 0.25 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3mhf h ASN 307 CO -0.21 0.01 -0.54 -0.29 -1.65 0.00 0.00 177.43 174.75 3mhf h ILE 308 N -0.18 1.37 -0.45 2.81 2.10 -0.84 -2.74 117.51 119.60 3mhf h ILE 308 Ca -0.01 -1.85 -0.06 0.00 1.08 0.00 0.00 64.86 64.02 3mhf h ILE 308 Cb 0.15 1.94 -0.02 0.00 -1.09 0.00 0.00 36.82 37.80 3mhf h ILE 308 CO 0.02 0.54 0.06 -0.78 -1.08 0.00 0.00 178.15 176.91 3mhf h ASP 309 N 0.12 0.72 -0.55 2.19 3.58 -0.69 0.04 116.42 121.84 3mhf h ASP 309 Ca -0.00 -0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.18 3mhf h ASP 309 Cb 1.00 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.83 3mhf h ASP 309 CO 0.08 0.80 0.33 -0.08 -2.88 0.00 0.00 179.24 177.49 3mhf h GLU 310 N 0.61 0.75 -0.19 0.28 4.81 -1.35 -1.06 114.58 118.42 3mhf h GLU 310 Ca 0.13 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3mhf h GLU 310 Cb 0.40 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3mhf h GLU 310 CO 0.01 0.55 0.04 1.25 -0.73 0.00 0.00 179.01 180.12 3mhf h LEU 311 N 0.74 0.30 -0.83 1.64 5.85 -1.28 -2.83 115.31 118.90 3mhf h LEU 311 Ca 0.20 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.75 3mhf h LEU 311 Cb -0.01 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 40.87 3mhf h LEU 311 CO -0.04 0.47 0.49 0.78 -0.34 0.00 0.00 178.44 179.81 3mhf h ASN 312 N 0.12 0.73 -0.84 1.25 2.35 -0.73 0.59 115.58 119.06 3mhf h ASN 312 Ca 0.06 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 3mhf h ASN 312 Cb 0.30 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 3mhf h ASN 312 CO 0.00 0.44 0.41 0.11 -1.65 0.00 0.00 177.43 176.74 3mhf h LYS 313 N 0.86 1.20 -0.16 0.81 1.57 -1.11 0.17 116.57 119.90 3mhf h LYS 313 Ca 0.38 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 3mhf h LYS 313 Cb 0.28 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 3mhf h LYS 313 CO -0.22 0.92 -0.07 0.28 -0.57 0.00 0.00 179.45 179.80 3mhf h VAL 314 N 1.19 1.31 -0.82 0.50 2.07 -1.13 -2.89 116.25 116.49 3mhf h VAL 314 Ca 0.29 -1.09 0.13 0.00 0.82 0.00 0.00 66.70 66.85 3mhf h VAL 314 Cb 0.11 1.69 -0.09 0.00 -1.52 0.00 0.00 31.29 31.48 3mhf h VAL 314 CO -0.04 0.32 0.41 0.25 0.02 0.00 0.00 177.57 178.54 3mhf h LEU 315 N 0.01 0.51 -1.85 2.57 5.85 -0.65 -1.66 115.31 120.09 3mhf h LEU 315 Ca 0.04 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3mhf h LEU 315 Cb 0.53 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3mhf h LEU 315 CO 0.02 0.23 0.15 -0.78 -0.34 0.00 0.00 178.44 177.73 3mhf h ASP 316 N 0.62 0.17 -0.30 1.25 3.58 -0.46 -1.48 116.42 119.81 3mhf h ASP 316 Ca 0.43 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.88 3mhf h ASP 316 Cb 0.57 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.58 3mhf h ASP 316 CO -0.34 0.12 0.00 2.29 -2.88 0.00 0.00 179.24 178.43 3mhf n LYS 317 N -4.50 2.14 0.00 0.28 2.85 -0.69 -4.65 118.16 113.59 3mhf n LYS 317 Ca 0.01 -1.94 0.00 0.00 -1.05 0.00 0.00 58.31 55.33 3mhf n LYS 317 Cb 0.15 -1.35 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 3mhf n LYS 317 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3mhf n THR 318 N 0.93 0.00 -1.87 0.58 -2.24 -0.80 -5.07 114.28 105.80 3mhf n THR 318 Ca 0.14 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.59 3mhf n THR 318 Cb 0.46 -0.69 0.03 0.00 -2.10 0.00 0.00 70.33 68.03 3mhf n THR 318 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mhf s ALA 319 N -1.93 2.66 0.13 6.98 0.00 -0.61 -4.75 121.76 124.25 3mhf s ALA 319 Ca 0.00 0.36 0.07 0.00 0.00 0.00 0.00 51.96 52.38 3mhf s ALA 319 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3mhf s ALA 319 CO 0.00 -1.01 -0.04 -1.12 0.00 0.00 0.00 175.76 173.59 3mhf s SER 320 N -2.96 4.65 0.13 0.00 0.01 0.51 -4.99 113.70 111.05 3mhf s SER 320 Ca 0.63 -0.36 -0.30 0.00 1.31 0.00 0.00 55.95 57.23 3mhf s SER 320 Cb -0.16 -0.97 -0.06 0.00 0.21 0.00 0.00 66.02 65.03 3mhf s SER 320 CO 0.42 0.14 1.08 -2.16 0.41 0.00 0.00 173.24 173.13 3mhf s PRO 321 N -2.55 4.58 0.43 12.44 0.04 -1.26 -4.00 135.00 144.67 3mhf s PRO 321 Ca 0.25 1.65 0.30 0.00 0.04 0.00 0.00 61.00 63.24 3mhf s PRO 321 Cb -0.10 -3.33 1.31 0.00 0.04 0.00 0.00 34.50 32.42 3mhf s PRO 321 CO 0.17 0.02 1.89 0.11 0.04 0.00 0.00 177.00 179.23 3mhf h TRP 322 N 5.68 0.00 0.00 0.56 5.08 -1.20 -1.76 115.95 124.31 3mhf h TRP 322 Ca -0.43 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.54 3mhf h TRP 322 Cb 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 3mhf h TRP 322 CO 0.64 0.00 0.00 0.25 -1.28 0.00 0.00 178.44 178.05 3mhf n THR 323 N -2.68 0.66 -0.05 0.12 -2.24 -1.26 -1.99 114.28 106.85 3mhf n THR 323 Ca 0.01 0.10 -0.18 0.00 -2.27 0.00 0.00 64.05 61.71 3mhf n THR 323 Cb 0.23 -0.86 -0.13 0.00 -2.10 0.00 0.00 70.33 67.47 3mhf n THR 323 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3mhf h GLU 324 N 0.00 0.08 0.00 -0.78 4.81 -1.71 -3.51 114.58 113.47 3mhf h GLU 324 Ca 0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3mhf h GLU 324 Cb 0.42 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3mhf h GLU 324 CO 0.00 1.07 0.00 1.17 -0.73 0.00 0.00 179.01 180.52