#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhg n LEU 4 N 0.00 0.51 -4.62 3.22 4.77 -1.26 -4.96 117.00 114.66 3mhg n LEU 4 Ca 0.00 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 56.84 3mhg n LEU 4 Cb 0.00 -1.12 0.19 0.00 -2.33 0.00 0.00 43.42 40.16 3mhg n LEU 4 CO 0.00 -1.97 0.61 0.42 -1.33 0.00 0.00 177.39 175.12 3mhg s THR 5 N -0.70 2.23 0.20 -5.08 -4.23 -1.26 -4.78 115.64 102.02 3mhg s THR 5 Ca 0.67 0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 61.15 3mhg s THR 5 Cb -0.87 -2.36 0.12 0.00 1.34 0.00 0.00 72.50 70.72 3mhg s THR 5 CO 0.56 -0.10 1.78 -0.08 -0.54 0.00 0.00 174.62 176.25 3mhg h GLU 6 N -2.05 0.54 -0.22 3.99 4.81 -1.99 -1.25 114.58 118.40 3mhg h GLU 6 Ca -0.54 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 58.47 3mhg h GLU 6 Cb 1.31 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 3mhg h GLU 6 CO 0.52 0.35 -0.60 -0.91 -0.73 0.00 0.00 179.01 177.65 3mhg h ASN 7 N 0.55 0.83 -0.40 1.04 2.35 -1.92 -2.08 115.58 115.95 3mhg h ASN 7 Ca 0.27 -0.47 -0.07 0.00 -0.55 0.00 0.00 56.30 55.48 3mhg h ASN 7 Cb 0.21 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3mhg h ASN 7 CO -0.20 1.24 0.00 0.11 -1.65 0.00 0.00 177.43 176.93 3mhg h LYS 8 N 0.55 0.80 -0.25 0.81 1.57 -1.70 -1.41 116.57 116.94 3mhg h LYS 8 Ca -0.00 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 3mhg h LYS 8 Cb 1.19 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3mhg h LYS 8 CO 0.12 0.80 0.03 -0.09 -0.57 0.00 0.00 179.45 179.74 3mhg h ARG 9 N 0.74 0.42 -0.93 3.15 2.43 -1.13 0.01 114.38 119.07 3mhg h ARG 9 Ca 0.14 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3mhg h ARG 9 Cb 0.45 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 3mhg h ARG 9 CO 0.02 0.56 0.61 0.87 -1.51 0.00 0.00 179.97 180.51 3mhg h LYS 10 N 0.22 1.15 -0.51 0.20 1.57 -1.24 -0.30 116.57 117.66 3mhg h LYS 10 Ca 0.07 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3mhg h LYS 10 Cb 0.35 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3mhg h LYS 10 CO 0.01 0.76 0.15 0.77 -0.57 0.00 0.00 179.45 180.57 3mhg h SER 11 N 1.19 0.74 -0.98 0.86 0.02 -1.08 -1.95 113.55 112.35 3mhg h SER 11 Ca 0.36 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3mhg h SER 11 Cb -0.02 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.27 3mhg h SER 11 CO -0.11 0.76 0.65 0.24 -1.14 0.00 0.00 176.83 177.22 3mhg h MET 12 N 0.69 1.30 -0.83 3.45 2.86 -0.45 -1.92 114.93 120.02 3mhg h MET 12 Ca 0.16 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 3mhg h MET 12 Cb 0.29 -0.29 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 3mhg h MET 12 CO -0.00 0.86 0.39 0.93 1.06 0.00 0.00 176.91 180.15 3mhg h GLU 13 N 1.33 1.20 0.00 1.72 5.08 -0.84 -2.24 114.58 120.84 3mhg h GLU 13 Ca 0.36 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3mhg h GLU 13 Cb -0.15 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 28.89 3mhg h GLU 13 CO -0.08 0.93 0.00 0.87 -1.00 0.00 0.00 179.01 179.73 3mhg h LYS 14 N 1.19 0.00 -0.01 2.33 1.57 -0.61 -2.54 116.57 118.50 3mhg h LYS 14 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3mhg h LYS 14 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3mhg h LYS 14 CO -0.03 0.00 -0.38 1.28 -0.57 0.00 0.00 179.45 179.74 3mhg n LEU 15 N -2.87 1.29 -4.35 2.94 4.77 -0.86 -2.60 117.00 115.31 3mhg n LEU 15 Ca 0.00 -0.40 -0.18 0.00 -0.03 0.00 0.00 56.01 55.40 3mhg n LEU 15 Cb 0.25 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 3mhg n LEU 15 CO 0.24 0.25 -0.26 -0.44 -1.33 0.00 0.00 177.39 175.85 3mhg s SER 16 N -2.56 1.48 -0.10 -1.43 0.01 -0.96 -4.10 113.70 106.05 3mhg s SER 16 Ca 0.21 -1.38 -0.00 0.00 1.31 0.00 0.00 55.95 56.08 3mhg s SER 16 Cb 0.19 0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.54 3mhg s SER 16 CO 0.57 -0.70 -0.06 -0.69 0.41 0.00 0.00 173.24 172.77 3mhg s VAL 17 N -3.64 0.89 -1.47 3.43 1.01 -0.48 -4.85 120.40 115.29 3mhg s VAL 17 Ca 0.37 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 3mhg s VAL 17 Cb 0.08 -0.93 0.06 0.00 0.00 0.00 0.00 36.38 35.59 3mhg s VAL 17 CO 0.14 0.34 0.99 -0.67 0.00 0.00 0.00 175.10 175.91 3mhg n ASP 18 N 4.91 -4.64 0.00 3.32 2.03 -1.26 -1.60 116.55 119.31 3mhg n ASP 18 Ca -0.12 -0.74 0.00 0.00 0.52 0.00 0.00 54.79 54.45 3mhg n ASP 18 Cb 0.50 -4.14 0.00 0.00 -0.72 0.00 0.00 41.12 36.76 3mhg n ASP 18 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3mhg n GLY 19 N -1.73 0.64 3.28 0.27 0.00 -1.26 -4.71 105.19 101.68 3mhg n GLY 19 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3mhg n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mhg s VAL 20 N -2.61 2.41 -0.48 1.61 1.01 -0.63 -0.00 120.40 121.71 3mhg s VAL 20 Ca 0.00 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 3mhg s VAL 20 Cb 0.00 -1.95 0.04 0.00 0.00 0.00 0.00 36.38 34.47 3mhg s VAL 20 CO 0.00 0.55 0.66 -0.63 0.00 0.00 0.00 175.10 175.68 3mhg s ILE 21 N 0.23 4.81 -0.79 2.22 1.01 -0.27 -1.39 121.20 127.03 3mhg s ILE 21 Ca -0.13 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.42 3mhg s ILE 21 Cb -0.17 -4.27 0.29 0.00 0.01 0.00 0.00 42.46 38.32 3mhg s ILE 21 CO 0.07 -0.72 1.10 -1.54 0.00 0.00 0.00 174.94 173.84 3mhg n SER 22 N 6.33 5.00 -4.88 3.58 3.41 -1.26 -0.35 113.62 125.45 3mhg n SER 22 Ca -0.03 -3.50 -0.33 0.00 -0.26 0.00 0.00 58.87 54.74 3mhg n SER 22 Cb 0.47 -0.87 -0.05 0.00 -0.26 0.00 0.00 64.21 63.49 3mhg n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mhg s ALA 23 N -2.92 3.74 -0.20 7.33 0.00 -0.86 -1.43 121.76 127.42 3mhg s ALA 23 Ca 0.39 -0.44 -0.11 0.00 0.00 0.00 0.00 51.96 51.81 3mhg s ALA 23 Cb 0.15 -2.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 3mhg s ALA 23 CO -0.01 0.60 0.16 -1.17 0.00 0.00 0.00 175.76 175.34 3mhg s LEU 24 N -2.23 4.20 -0.23 0.00 2.96 -0.20 -1.69 118.68 121.49 3mhg s LEU 24 Ca 0.37 0.26 -0.08 0.00 -0.22 0.00 0.00 54.13 54.46 3mhg s LEU 24 Cb -0.13 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 3mhg s LEU 24 CO 0.20 0.15 0.08 0.00 -1.32 0.00 0.00 176.35 175.47 3mhg s ALA 25 N 0.46 3.26 -0.39 5.97 0.00 -0.49 -0.59 121.76 129.98 3mhg s ALA 25 Ca 0.09 -1.02 0.11 0.00 0.00 0.00 0.00 51.96 51.15 3mhg s ALA 25 Cb -0.12 -2.07 0.38 0.00 0.00 0.00 0.00 23.12 21.32 3mhg s ALA 25 CO -0.00 -0.30 1.05 0.34 0.00 0.00 0.00 175.76 176.84 3mhg n PHE 26 N 4.53 -1.02 0.31 0.00 -0.00 0.04 -4.02 117.46 117.29 3mhg n PHE 26 Ca -0.16 -2.65 0.11 0.00 -0.00 0.00 0.00 57.45 54.75 3mhg n PHE 26 Cb 0.52 0.63 0.19 0.00 -0.00 0.00 0.00 39.48 40.82 3mhg n PHE 26 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 3mhg n ASP 27 N -0.01 3.29 -4.73 -2.13 5.75 -1.21 -4.21 116.55 113.29 3mhg n ASP 27 Ca 0.09 -1.95 -0.42 0.00 -0.01 0.00 0.00 54.79 52.50 3mhg n ASP 27 Cb 0.76 -0.22 -0.02 0.00 -1.03 0.00 0.00 41.12 40.62 3mhg n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mhg n GLN 28 N 1.35 2.56 0.00 0.11 3.00 -1.26 -4.57 117.38 118.58 3mhg n GLN 28 Ca 0.17 0.91 0.00 0.00 -0.01 0.00 0.00 57.00 58.08 3mhg n GLN 28 Cb 0.57 -2.66 0.00 0.00 0.00 0.00 0.00 30.24 28.15 3mhg n GLN 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3mhg n ARG 29 N 1.88 0.00 -0.20 -1.09 1.74 -1.26 -4.53 116.66 113.21 3mhg n ARG 29 Ca 0.08 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.13 3mhg n ARG 29 Cb 0.36 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.88 3mhg n ARG 29 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3mhg h GLY 30 N 0.00 0.85 1.29 -0.13 0.00 -1.93 0.13 103.07 103.27 3mhg h GLY 30 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 3mhg h GLY 30 CO 0.00 0.13 0.11 0.00 0.00 0.00 0.00 176.54 176.78 3mhg h ALA 31 N 1.32 1.13 -0.33 3.60 0.00 -1.98 -1.88 119.26 121.13 3mhg h ALA 31 Ca 0.26 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3mhg h ALA 31 Cb 0.17 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3mhg h ALA 31 CO -0.18 0.58 -0.35 1.25 0.00 0.00 0.00 179.25 180.55 3mhg h LEU 32 N 0.85 0.87 -0.76 0.00 5.85 -1.58 -2.26 115.31 118.28 3mhg h LEU 32 Ca 0.18 -0.48 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 3mhg h LEU 32 Cb 0.34 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3mhg h LEU 32 CO 0.00 1.17 0.41 0.50 -0.34 0.00 0.00 178.44 180.19 3mhg h LYS 33 N 0.59 1.06 -0.78 1.25 3.64 -0.57 -1.58 116.57 120.19 3mhg h LYS 33 Ca 0.05 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 3mhg h LYS 33 Cb 0.94 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 3mhg h LYS 33 CO 0.09 0.79 0.34 0.00 -2.27 0.00 0.00 179.45 178.40 3mhg h ARG 34 N 1.05 1.14 -0.40 1.90 3.08 -1.27 -0.98 114.38 118.90 3mhg h ARG 34 Ca 0.27 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3mhg h ARG 34 Cb 0.04 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 3mhg h ARG 34 CO -0.04 0.91 0.22 0.52 -1.07 0.00 0.00 179.97 180.51 3mhg h MET 35 N 1.11 0.56 -0.60 0.04 2.86 -0.86 -2.76 114.93 115.28 3mhg h MET 35 Ca 0.26 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.79 3mhg h MET 35 Cb 0.16 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 3mhg h MET 35 CO -0.03 0.44 0.15 0.52 1.06 0.00 0.00 176.91 179.05 3mhg h MET 36 N 0.52 0.93 0.00 1.72 2.86 -1.03 -2.34 114.93 117.59 3mhg h MET 36 Ca 0.14 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3mhg h MET 36 Cb 0.04 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 3mhg h MET 36 CO -0.02 0.82 -0.04 0.00 1.06 0.00 0.00 176.91 178.73 3mhg h ALA 37 N 1.27 1.27 0.00 6.32 0.00 -0.90 -1.99 119.26 125.24 3mhg h ALA 37 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3mhg h ALA 37 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3mhg h ALA 37 CO -0.00 0.05 0.00 1.04 0.00 0.00 0.00 179.25 180.34 3mhg n GLN 38 N -3.53 0.03 0.00 0.00 6.02 -0.88 -3.67 117.38 115.35 3mhg n GLN 38 Ca -0.02 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 3mhg n GLN 38 Cb 0.15 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.91 3mhg n GLN 38 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3mhg n HIS 39 N -1.47 0.00 -3.74 1.08 8.25 -0.75 -5.05 115.22 113.54 3mhg n HIS 39 Ca 0.04 -0.12 -0.11 0.00 -0.26 0.00 0.00 57.72 57.27 3mhg n HIS 39 Cb 0.16 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.19 3mhg n HIS 39 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3mhg s GLN 40 N -0.23 0.88 0.02 -0.41 -2.07 -1.23 -4.67 119.66 111.95 3mhg s GLN 40 Ca 0.00 -0.63 -0.17 0.00 -1.82 0.00 0.00 55.36 52.74 3mhg s GLN 40 Cb 0.00 0.38 -0.31 0.00 -1.09 0.00 0.00 33.01 31.99 3mhg s GLN 40 CO 0.00 -0.30 1.03 1.79 -1.32 0.00 0.00 175.29 176.49 3mhg h THR 41 N 2.92 1.34 -4.26 3.63 1.35 -1.94 -3.45 112.91 112.50 3mhg h THR 41 Ca -0.33 -2.51 -0.51 0.00 -0.55 0.00 0.00 66.41 62.51 3mhg h THR 41 Cb 1.21 2.89 0.13 0.00 -1.73 0.00 0.00 68.15 70.65 3mhg h THR 41 CO 0.48 0.75 0.33 -1.59 -0.25 0.00 0.00 175.52 175.24 3mhg s LYS 42 N -2.78 2.33 0.25 4.72 -2.85 -1.26 -4.98 119.74 115.17 3mhg s LYS 42 Ca -0.11 1.31 -0.30 0.00 -1.00 0.00 0.00 55.97 55.88 3mhg s LYS 42 Cb 0.04 -1.90 -0.10 0.00 -2.06 0.00 0.00 37.83 33.81 3mhg s LYS 42 CO 0.91 -1.60 1.41 -2.00 0.10 0.00 0.00 175.35 174.17 3mhg s GLU 43 N -4.55 4.29 0.26 1.78 2.12 -1.26 -4.91 118.70 116.44 3mhg s GLU 43 Ca 0.64 2.26 -0.31 0.00 0.36 0.00 0.00 54.97 57.92 3mhg s GLU 43 Cb -0.19 -3.12 -0.13 0.00 0.26 0.00 0.00 34.13 30.95 3mhg s GLU 43 CO 0.51 -0.38 1.51 -2.30 -0.54 0.00 0.00 175.26 174.06 3mhg n PRO 44 N 2.29 2.37 -3.12 4.30 -0.02 -1.26 -4.97 135.00 134.58 3mhg n PRO 44 Ca 0.06 0.84 -0.22 0.00 -2.02 0.00 0.00 63.50 62.16 3mhg n PRO 44 Cb 0.41 -2.57 0.01 0.00 -0.02 0.00 0.00 33.50 31.33 3mhg n PRO 44 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3mhg s THR 45 N 0.04 4.17 0.21 3.45 -4.23 -1.26 -4.98 115.64 113.04 3mhg s THR 45 Ca 0.67 -0.57 -0.10 0.00 -1.18 0.00 0.00 61.69 60.51 3mhg s THR 45 Cb -0.58 -3.52 0.14 0.00 1.34 0.00 0.00 72.50 69.88 3mhg s THR 45 CO 0.48 -0.34 1.76 0.58 -0.54 0.00 0.00 174.62 176.57 3mhg h VAL 46 N 0.53 0.83 -0.13 2.29 2.07 -2.00 -2.08 116.25 117.76 3mhg h VAL 46 Ca -0.47 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 3mhg h VAL 46 Cb 1.25 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3mhg h VAL 46 CO 0.57 0.09 -0.28 1.05 0.02 0.00 0.00 177.57 179.02 3mhg h GLU 47 N 0.47 0.25 -0.57 1.57 9.09 -1.98 -0.68 114.58 122.73 3mhg h GLU 47 Ca 0.30 -0.09 -0.09 0.00 0.05 0.00 0.00 59.36 59.53 3mhg h GLU 47 Cb 0.32 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.38 3mhg h GLU 47 CO -0.27 0.51 0.01 1.96 0.05 0.00 0.00 179.01 181.28 3mhg h GLN 48 N 0.22 1.00 -0.18 1.06 4.20 -1.81 0.31 115.11 119.92 3mhg h GLN 48 Ca 0.03 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.39 3mhg h GLN 48 Cb 0.62 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3mhg h GLN 48 CO 0.04 0.99 -0.03 0.82 -0.67 0.00 0.00 178.83 179.99 3mhg h ILE 49 N 0.89 1.28 -0.45 2.54 2.04 -1.06 -1.87 117.51 120.88 3mhg h ILE 49 Ca 0.16 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 3mhg h ILE 49 Cb 0.53 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3mhg h ILE 49 CO 0.03 0.29 0.14 -0.33 0.00 0.00 0.00 178.15 178.28 3mhg h GLU 50 N 0.06 0.66 -0.05 2.37 5.08 -1.05 -2.34 114.58 119.32 3mhg h GLU 50 Ca 0.05 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 3mhg h GLU 50 Cb 0.46 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.60 3mhg h GLU 50 CO 0.02 0.58 -0.33 1.49 -1.00 0.00 0.00 179.01 179.77 3mhg h GLU 51 N 0.65 0.30 -0.76 2.33 4.81 -0.84 -2.14 114.58 118.94 3mhg h GLU 51 Ca 0.15 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3mhg h GLU 51 Cb 0.20 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 3mhg h GLU 51 CO -0.01 0.93 0.48 1.25 -0.73 0.00 0.00 179.01 180.92 3mhg h LEU 52 N -0.23 0.89 -0.57 1.64 5.85 -1.28 -0.31 115.31 121.29 3mhg h LEU 52 Ca -0.03 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3mhg h LEU 52 Cb 1.01 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3mhg h LEU 52 CO 0.07 0.67 0.21 0.11 -0.34 0.00 0.00 178.44 179.15 3mhg h LYS 53 N 1.04 0.87 -0.45 1.25 1.57 -1.41 -1.71 116.57 117.73 3mhg h LYS 53 Ca 0.28 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 3mhg h LYS 53 Cb -0.07 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 3mhg h LYS 53 CO -0.05 0.77 -0.06 0.77 -0.57 0.00 0.00 179.45 180.30 3mhg h SER 54 N 0.80 0.75 -0.38 0.86 0.02 -0.71 -0.82 113.55 114.06 3mhg h SER 54 Ca 0.19 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3mhg h SER 54 Cb 0.24 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3mhg h SER 54 CO -0.01 0.86 0.07 -0.07 -1.14 0.00 0.00 176.83 176.53 3mhg h LEU 55 N 0.71 0.60 -0.34 5.07 3.38 -0.88 -0.29 115.31 123.55 3mhg h LEU 55 Ca 0.13 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3mhg h LEU 55 Cb 0.52 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3mhg h LEU 55 CO 0.03 0.70 0.06 0.58 0.09 0.00 0.00 178.44 179.90 3mhg h VAL 56 N 0.47 1.23 -0.08 1.22 2.07 -1.17 -1.50 116.25 118.50 3mhg h VAL 56 Ca 0.12 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3mhg h VAL 56 Cb 0.35 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3mhg h VAL 56 CO 0.01 0.27 0.05 -1.28 0.02 0.00 0.00 177.57 176.64 3mhg h SER 57 N 0.40 0.08 -0.60 0.57 0.87 -1.09 -1.11 113.55 112.66 3mhg h SER 57 Ca 0.10 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 3mhg h SER 57 Cb 0.34 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 3mhg h SER 57 CO 0.01 0.06 0.04 -0.08 -0.53 0.00 0.00 176.83 176.32 3mhg h GLU 58 N 0.10 1.04 0.13 2.24 4.81 -0.98 -2.58 114.58 119.34 3mhg h GLU 58 Ca 0.03 -0.31 -0.29 0.00 -0.13 0.00 0.00 59.36 58.66 3mhg h GLU 58 Cb -0.01 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3mhg h GLU 58 CO -0.01 1.00 -1.36 0.93 -0.73 0.00 0.00 179.01 178.84 3mhg h GLU 59 N 0.94 0.27 0.00 1.92 4.39 -1.22 -3.40 114.58 117.47 3mhg h GLU 59 Ca 0.18 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3mhg h GLU 59 Cb 0.51 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 3mhg h GLU 59 CO 0.02 1.18 -1.63 1.28 -1.16 0.00 0.00 179.01 178.70 3mhg n LEU 60 N -3.50 0.05 0.29 1.33 4.77 -0.43 -4.48 117.00 115.04 3mhg n LEU 60 Ca -0.12 -0.04 0.17 0.00 -0.03 0.00 0.00 56.01 56.00 3mhg n LEU 60 Cb 1.03 0.00 0.87 0.00 -2.33 0.00 0.00 43.42 42.99 3mhg n LEU 60 CO 0.53 0.01 1.05 0.71 -1.33 0.00 0.00 177.39 178.36 3mhg h THR 61 N 0.00 0.22 0.00 -5.08 1.35 -1.59 -0.81 112.91 107.00 3mhg h THR 61 Ca 0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3mhg h THR 61 Cb 0.68 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 3mhg h THR 61 CO 0.00 0.05 0.00 -2.65 -0.25 0.00 0.00 175.52 172.67 3mhg n PRO 62 N -3.30 0.12 -0.16 4.72 -0.02 -1.26 -1.78 135.00 133.32 3mhg n PRO 62 Ca -0.01 0.59 0.05 0.00 -2.02 0.00 0.00 63.50 62.10 3mhg n PRO 62 Cb 0.21 -1.86 0.14 0.00 -0.02 0.00 0.00 33.50 31.96 3mhg n PRO 62 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3mhg n PHE 63 N -2.11 0.42 -4.39 6.00 3.72 -0.31 -4.98 117.46 115.80 3mhg n PHE 63 Ca -0.01 -0.50 -0.26 0.00 -0.05 0.00 0.00 57.45 56.63 3mhg n PHE 63 Cb 0.05 -0.03 -0.13 0.00 -0.94 0.00 0.00 39.48 38.43 3mhg n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mhg s ALA 64 N -1.02 2.00 -0.05 4.37 0.00 -0.73 -4.97 121.76 121.37 3mhg s ALA 64 Ca 0.21 -1.30 0.26 0.00 0.00 0.00 0.00 51.96 51.13 3mhg s ALA 64 Cb 0.11 -0.31 0.81 0.00 0.00 0.00 0.00 23.12 23.73 3mhg s ALA 64 CO 0.14 0.43 1.78 0.66 0.00 0.00 0.00 175.76 178.77 3mhg h SER 65 N 4.15 0.00 -5.19 0.00 4.64 -1.52 -3.42 113.55 112.21 3mhg h SER 65 Ca -0.47 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.03 3mhg h SER 65 Cb 1.17 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.16 3mhg h SER 65 CO 0.40 0.14 0.55 -0.94 -0.87 0.00 0.00 176.83 176.10 3mhg s SER 66 N -6.08 -0.20 -0.02 4.97 1.04 -1.26 -1.72 113.70 110.43 3mhg s SER 66 Ca 0.03 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.23 3mhg s SER 66 Cb 0.08 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 66.61 3mhg s SER 66 CO 0.63 -0.73 -0.09 -0.51 0.98 0.00 0.00 173.24 173.52 3mhg s ILE 67 N -3.09 0.76 -0.25 -1.02 2.07 -0.62 -1.04 121.20 118.02 3mhg s ILE 67 Ca 0.11 -0.37 -0.12 0.00 -1.41 0.00 0.00 60.65 58.86 3mhg s ILE 67 Cb -0.00 -0.67 -0.05 0.00 0.13 0.00 0.00 42.46 41.87 3mhg s ILE 67 CO -0.01 0.23 0.22 -0.22 -1.91 0.00 0.00 174.94 173.25 3mhg s LEU 68 N 0.05 4.09 0.25 8.50 2.96 0.24 -1.16 118.68 133.60 3mhg s LEU 68 Ca -0.01 0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 3mhg s LEU 68 Cb -0.07 -2.20 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 3mhg s LEU 68 CO 0.00 -0.00 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.23 3mhg s LEU 69 N 1.34 2.37 0.08 -0.68 1.43 -0.36 -0.78 118.68 122.08 3mhg s LEU 69 Ca 0.10 -1.19 -0.01 0.00 -1.03 0.00 0.00 54.13 52.00 3mhg s LEU 69 Cb -0.14 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 3mhg s LEU 69 CO 0.07 -0.40 0.25 1.51 0.23 0.00 0.00 176.35 178.00 3mhg s ASP 70 N -3.37 6.39 0.08 2.29 -4.77 -1.26 -0.98 116.67 115.05 3mhg s ASP 70 Ca 0.28 0.34 0.27 0.00 -3.30 0.00 0.00 52.55 50.15 3mhg s ASP 70 Cb 0.04 -1.99 1.06 0.00 -1.09 0.00 0.00 42.92 40.94 3mhg s ASP 70 CO 0.10 0.15 1.85 -2.65 0.70 0.00 0.00 175.17 175.32 3mhg n PRO 71 N 0.26 0.10 -0.02 2.11 -0.02 -1.26 -0.97 135.00 135.19 3mhg n PRO 71 Ca -0.05 0.09 -0.15 0.00 -2.02 0.00 0.00 63.50 61.37 3mhg n PRO 71 Cb 0.51 -1.61 -0.10 0.00 -0.02 0.00 0.00 33.50 32.27 3mhg n PRO 71 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3mhg h GLU 72 N 0.00 0.27 0.00 -0.52 5.08 -1.94 -3.40 114.58 114.07 3mhg h GLU 72 Ca 0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3mhg h GLU 72 Cb 0.57 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3mhg h GLU 72 CO 0.00 0.93 -0.10 0.66 -1.00 0.00 0.00 179.01 179.50 3mhg n TYR 73 N -4.44 0.00 0.38 4.33 4.01 -1.25 -4.85 117.16 115.35 3mhg n TYR 73 Ca -0.09 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.76 3mhg n TYR 73 Cb 0.52 -0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.73 3mhg n TYR 73 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mhg n GLY 74 N 1.08 1.55 0.25 2.72 0.00 -0.15 -4.48 105.19 106.16 3mhg n GLY 74 Ca 0.00 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 3mhg n GLY 74 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mhg h LEU 75 N 4.22 0.86 -0.39 0.99 3.38 -1.79 -0.05 115.31 122.54 3mhg h LEU 75 Ca 0.00 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.60 3mhg h LEU 75 Cb 0.94 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3mhg h LEU 75 CO 0.00 1.06 0.21 -0.65 0.09 0.00 0.00 178.44 179.16 3mhg h PRO 76 N 0.66 0.42 -0.94 1.13 0.11 -1.94 -2.50 132.00 128.94 3mhg h PRO 76 Ca 0.09 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.26 3mhg h PRO 76 Cb 0.73 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 31.68 3mhg h PRO 76 CO 0.06 0.28 0.61 0.00 -0.21 0.00 0.00 178.00 178.73 3mhg h ALA 77 N 1.19 1.52 -0.41 -0.75 0.00 -1.76 -1.60 119.26 117.44 3mhg h ALA 77 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3mhg h ALA 77 Cb 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3mhg h ALA 77 CO -0.09 0.32 0.27 0.66 0.00 0.00 0.00 179.25 180.41 3mhg h SER 78 N 1.03 0.47 1.21 0.00 4.64 -0.57 -2.38 113.55 117.95 3mhg h SER 78 Ca 0.42 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3mhg h SER 78 Cb 0.27 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3mhg h SER 78 CO -0.17 0.34 0.00 0.54 -0.87 0.00 0.00 176.83 176.67 3mhg n ARG 79 N -4.48 0.17 -0.27 4.77 1.74 -0.61 -3.02 116.66 114.96 3mhg n ARG 79 Ca 0.03 0.19 0.08 0.00 -0.77 0.00 0.00 57.85 57.37 3mhg n ARG 79 Cb 0.06 -1.72 0.22 0.00 -1.02 0.00 0.00 32.46 30.00 3mhg n ARG 79 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3mhg n VAL 80 N -2.02 1.13 -1.67 1.55 0.24 -0.90 -5.00 118.33 111.65 3mhg n VAL 80 Ca 0.05 -1.06 -0.33 0.00 -2.04 0.00 0.00 64.34 60.96 3mhg n VAL 80 Cb 0.37 0.43 0.06 0.00 -1.47 0.00 0.00 33.84 33.23 3mhg n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mhg s ARG 81 N -1.16 2.67 0.36 7.34 1.70 -1.16 -4.20 118.95 124.49 3mhg s ARG 81 Ca 0.33 1.41 -0.27 0.00 -0.47 0.00 0.00 55.73 56.73 3mhg s ARG 81 Cb 0.18 -1.93 -0.12 0.00 -0.57 0.00 0.00 34.95 32.52 3mhg s ARG 81 CO 0.21 -1.36 1.23 0.45 -1.08 0.00 0.00 175.30 174.75 3mhg n SER 82 N -2.55 2.43 0.21 -2.89 2.88 -1.26 -4.86 113.62 107.58 3mhg n SER 82 Ca 0.11 1.16 0.15 0.00 -1.33 0.00 0.00 58.87 58.96 3mhg n SER 82 Cb 0.52 -1.46 0.67 0.00 -0.75 0.00 0.00 64.21 63.19 3mhg n SER 82 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3mhg h GLU 83 N 2.28 0.00 0.00 -1.46 4.11 -1.95 -1.11 114.58 116.45 3mhg h GLU 83 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 3mhg h GLU 83 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3mhg h GLU 83 CO 0.61 0.00 -0.09 0.39 0.07 0.00 0.00 179.01 179.99 3mhg n GLU 84 N -2.63 0.01 -4.01 1.06 4.71 -1.26 -4.88 120.64 113.64 3mhg n GLU 84 Ca 0.00 0.01 -0.36 0.00 -0.01 0.00 0.00 57.16 56.80 3mhg n GLU 84 Cb 0.20 -1.51 -0.08 0.00 -1.01 0.00 0.00 31.44 29.04 3mhg n GLU 84 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3mhg s ALA 85 N -3.00 3.64 0.96 0.62 0.00 -0.42 -4.87 121.76 118.68 3mhg s ALA 85 Ca 0.13 -0.70 -0.16 0.00 0.00 0.00 0.00 51.96 51.23 3mhg s ALA 85 Cb 0.18 -1.86 0.20 0.00 0.00 0.00 0.00 23.12 21.65 3mhg s ALA 85 CO 0.56 0.50 1.32 0.20 0.00 0.00 0.00 175.76 178.35 3mhg s GLY 86 N -0.65 1.78 -0.05 0.00 0.00 -0.70 -4.83 107.32 102.87 3mhg s GLY 86 Ca 0.12 -1.22 0.02 0.00 0.00 0.00 0.00 44.72 43.65 3mhg s GLY 86 CO 0.02 -0.45 -0.10 -2.27 0.00 0.00 0.00 173.10 170.30 3mhg s LEU 87 N -5.88 1.67 0.06 0.66 2.96 -1.26 -1.59 118.68 115.30 3mhg s LEU 87 Ca 0.74 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 54.48 3mhg s LEU 87 Cb -0.04 -0.68 -0.03 0.00 0.50 0.00 0.00 46.19 45.94 3mhg s LEU 87 CO 0.53 0.04 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.68 3mhg s LEU 88 N 0.47 2.74 -0.05 -0.68 1.02 -0.31 0.02 118.68 121.89 3mhg s LEU 88 Ca -0.09 -0.42 0.05 0.00 0.02 0.00 0.00 54.13 53.70 3mhg s LEU 88 Cb -0.13 -1.59 -0.01 0.00 0.02 0.00 0.00 46.19 44.48 3mhg s LEU 88 CO 0.02 0.23 -0.22 -0.76 0.02 0.00 0.00 176.35 175.65 3mhg s LEU 89 N -1.67 2.00 0.50 1.79 1.43 -0.97 -1.22 118.68 120.55 3mhg s LEU 89 Ca 0.16 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 52.62 3mhg s LEU 89 Cb -0.11 -1.19 -0.07 0.00 0.03 0.00 0.00 46.19 44.85 3mhg s LEU 89 CO 0.07 0.21 1.08 0.00 0.23 0.00 0.00 176.35 177.94 3mhg s ALA 90 N -0.10 2.81 0.00 4.21 0.00 -0.15 -1.23 121.76 127.30 3mhg s ALA 90 Ca -0.03 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.64 3mhg s ALA 90 Cb -0.13 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3mhg s ALA 90 CO 0.03 -0.50 0.00 0.98 0.00 0.00 0.00 175.76 176.27 3mhg n TYR 91 N -1.04 0.00 -3.41 0.00 9.36 0.45 -4.35 117.16 118.16 3mhg n TYR 91 Ca 0.10 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 61.01 3mhg n TYR 91 Cb 0.52 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.18 3mhg n TYR 91 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 3mhg s GLU 92 N -1.47 3.72 0.59 2.98 1.03 -1.26 -0.85 118.70 123.44 3mhg s GLU 92 Ca 0.00 0.14 -0.18 0.00 0.03 0.00 0.00 54.97 54.95 3mhg s GLU 92 Cb 0.00 -2.67 -0.04 0.00 -0.80 0.00 0.00 34.13 30.63 3mhg s GLU 92 CO 0.00 0.29 1.17 0.15 -1.33 0.00 0.00 175.26 175.55 3mhg s LYS 93 N -3.07 3.03 0.35 -4.83 1.02 0.25 -4.62 119.74 111.87 3mhg s LYS 93 Ca 0.45 1.72 -0.27 0.00 0.02 0.00 0.00 55.97 57.89 3mhg s LYS 93 Cb -0.11 -1.95 -0.09 0.00 -0.52 0.00 0.00 37.83 35.16 3mhg s LYS 93 CO 0.25 -1.13 1.15 -0.08 -0.92 0.00 0.00 175.35 174.62 3mhg s THR 94 N -1.74 3.26 0.00 2.17 -1.32 -1.26 -4.90 115.64 111.85 3mhg s THR 94 Ca 0.75 1.15 0.00 0.00 -1.21 0.00 0.00 61.69 62.38 3mhg s THR 94 Cb -0.27 -3.69 0.00 0.00 -1.51 0.00 0.00 72.50 67.03 3mhg s THR 94 CO 0.32 0.19 0.00 0.61 -2.21 0.00 0.00 174.62 173.54 3mhg n GLY 95 N 0.83 -0.59 3.45 6.08 0.00 -1.26 -4.97 105.19 108.72 3mhg n GLY 95 Ca 0.02 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 3mhg n GLY 95 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mhg s TYR 96 N 0.00 -0.49 -0.33 1.61 -0.85 -1.26 -5.05 117.35 110.97 3mhg s TYR 96 Ca 0.00 0.29 -0.29 0.00 -0.52 0.00 0.00 57.07 56.56 3mhg s TYR 96 Cb 0.00 0.56 -0.01 0.00 0.38 0.00 0.00 41.96 42.89 3mhg s TYR 96 CO 0.00 -0.80 1.68 0.34 -1.52 0.00 0.00 175.55 175.25 3mhg s ASP 97 N -2.71 6.07 0.02 -0.18 -1.08 -1.26 -4.87 116.67 112.67 3mhg s ASP 97 Ca 0.02 1.25 0.25 0.00 -0.52 0.00 0.00 52.55 53.55 3mhg s ASP 97 Cb -0.01 -2.53 1.05 0.00 -1.46 0.00 0.00 42.92 39.97 3mhg s ASP 97 CO -0.12 -1.57 1.79 0.00 0.52 0.00 0.00 175.17 175.79 3mhg n ALA 98 N 9.65 2.14 1.41 3.66 0.00 -1.26 -3.41 120.51 132.70 3mhg n ALA 98 Ca 0.21 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.71 3mhg n ALA 98 Cb 0.47 -1.41 0.53 0.00 0.00 0.00 0.00 19.45 19.04 3mhg n ALA 98 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3mhg n THR 99 N -1.55 0.00 -4.30 0.00 -2.24 -1.26 -4.87 114.28 100.05 3mhg n THR 99 Ca 0.06 -0.13 -0.18 0.00 -2.27 0.00 0.00 64.05 61.52 3mhg n THR 99 Cb 0.30 0.22 -0.09 0.00 -2.10 0.00 0.00 70.33 68.66 3mhg n THR 99 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3mhg s THR 100 N -2.32 0.13 -1.89 4.28 -4.23 -1.22 -5.07 115.64 105.32 3mhg s THR 100 Ca 0.31 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.99 3mhg s THR 100 Cb 0.20 -2.49 0.26 0.00 1.34 0.00 0.00 72.50 71.81 3mhg s THR 100 CO 0.45 0.00 1.17 0.35 -0.54 0.00 0.00 174.62 176.04 3mhg n THR 101 N -0.58 0.36 0.06 3.99 -2.24 -1.26 -4.62 114.28 110.00 3mhg n THR 101 Ca 0.04 -0.68 -0.04 0.00 -2.27 0.00 0.00 64.05 61.10 3mhg n THR 101 Cb 0.64 1.05 -0.09 0.00 -2.10 0.00 0.00 70.33 69.83 3mhg n THR 101 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3mhg h SER 102 N 3.28 0.00 -6.97 3.42 4.64 -1.98 -3.45 113.55 112.49 3mhg h SER 102 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 3mhg h SER 102 Cb 0.77 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.79 3mhg h SER 102 CO 0.00 0.83 -1.00 0.54 -0.87 0.00 0.00 176.83 176.33 3mhg n ARG 103 N -3.21 -0.45 -2.54 4.77 1.74 -1.26 -4.88 116.66 110.83 3mhg n ARG 103 Ca -0.04 0.08 -0.40 0.00 -0.77 0.00 0.00 57.85 56.73 3mhg n ARG 103 Cb 0.90 -2.80 -0.05 0.00 -1.02 0.00 0.00 32.46 29.49 3mhg n ARG 103 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3mhg s LEU 104 N -7.45 4.50 0.49 0.55 1.43 -1.26 -4.54 118.68 112.40 3mhg s LEU 104 Ca 0.37 2.16 -0.20 0.00 -1.03 0.00 0.00 54.13 55.44 3mhg s LEU 104 Cb -0.20 -3.72 -0.08 0.00 0.03 0.00 0.00 46.19 42.21 3mhg s LEU 104 CO 0.98 -0.14 1.02 -2.16 0.23 0.00 0.00 176.35 176.28 3mhg s PRO 105 N -1.58 3.84 -0.22 1.29 0.04 -1.26 -4.94 135.00 132.17 3mhg s PRO 105 Ca 0.46 1.27 -0.06 0.00 0.04 0.00 0.00 61.00 62.72 3mhg s PRO 105 Cb -0.29 -2.11 0.11 0.00 0.04 0.00 0.00 34.50 32.25 3mhg s PRO 105 CO 0.37 -0.38 0.43 0.34 0.04 0.00 0.00 177.00 177.80 3mhg s ASP 106 N -2.17 -0.24 0.55 6.66 2.15 -1.26 -5.09 116.67 117.27 3mhg s ASP 106 Ca 0.65 0.83 -0.20 0.00 0.43 0.00 0.00 52.55 54.26 3mhg s ASP 106 Cb -0.14 1.39 -0.05 0.00 -0.30 0.00 0.00 42.92 43.81 3mhg s ASP 106 CO 0.21 -0.25 1.19 0.00 -0.17 0.00 0.00 175.17 176.15 3mhg n LEU 108 N -1.26 2.78 -0.28 0.00 4.77 -0.03 -4.63 117.00 118.35 3mhg n LEU 108 Ca 0.12 1.12 0.03 0.00 -0.03 0.00 0.00 56.01 57.25 3mhg n LEU 108 Cb 0.49 -1.38 0.17 0.00 -2.33 0.00 0.00 43.42 40.38 3mhg n LEU 108 CO 0.45 -0.56 1.11 0.44 -1.33 0.00 0.00 177.39 177.49 3mhg h ASP 109 N 4.75 0.57 -0.52 -1.43 3.32 -1.92 -2.58 116.42 118.60 3mhg h ASP 109 Ca -0.45 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 56.50 3mhg h ASP 109 Cb 1.28 -0.04 -0.10 0.00 0.22 0.00 0.00 39.33 40.69 3mhg h ASP 109 CO 0.80 0.31 0.13 1.33 -1.72 0.00 0.00 179.24 180.09 3mhg n VAL 110 N -4.81 2.68 -4.42 -1.35 0.24 -1.26 -4.96 118.33 104.44 3mhg n VAL 110 Ca 0.14 -1.99 -0.24 0.00 -2.04 0.00 0.00 64.34 60.20 3mhg n VAL 110 Cb 0.31 -0.33 -0.10 0.00 -1.47 0.00 0.00 33.84 32.26 3mhg n VAL 110 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3mhg s TRP 111 N -3.03 2.39 0.20 6.34 0.52 -0.97 -5.05 118.94 119.34 3mhg s TRP 111 Ca 0.49 -0.31 -0.14 0.00 0.02 0.00 0.00 56.10 56.17 3mhg s TRP 111 Cb 0.41 -1.06 0.01 0.00 -1.15 0.00 0.00 33.47 31.68 3mhg s TRP 111 CO 0.09 0.67 0.44 -1.54 0.02 0.00 0.00 176.95 176.63 3mhg s SER 112 N -3.44 -0.13 0.29 2.95 1.04 -1.26 -4.83 113.70 108.33 3mhg s SER 112 Ca 0.29 -0.71 -0.02 0.00 0.48 0.00 0.00 55.95 56.00 3mhg s SER 112 Cb -0.06 0.54 0.43 0.00 0.10 0.00 0.00 66.02 67.04 3mhg s SER 112 CO 0.16 -1.03 1.95 0.00 0.98 0.00 0.00 173.24 175.30 3mhg h ALA 113 N 2.32 1.41 -0.39 5.32 0.00 -1.97 -0.55 119.26 125.40 3mhg h ALA 113 Ca -0.29 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.60 3mhg h ALA 113 Cb 1.25 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3mhg h ALA 113 CO 0.40 0.53 0.20 -0.22 0.00 0.00 0.00 179.25 180.16 3mhg h LYS 114 N 1.14 0.40 -0.10 0.00 3.64 -1.96 -0.46 116.57 119.23 3mhg h LYS 114 Ca 0.33 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.60 3mhg h LYS 114 Cb -0.07 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3mhg h LYS 114 CO -0.08 0.27 -0.33 0.00 -2.27 0.00 0.00 179.45 177.03 3mhg h ARG 115 N 0.41 0.19 -0.33 1.90 3.08 -1.76 0.04 114.38 117.91 3mhg h ARG 115 Ca 0.17 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 3mhg h ARG 115 Cb 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3mhg h ARG 115 CO -0.11 0.50 -0.15 0.82 -1.07 0.00 0.00 179.97 179.97 3mhg h ILE 116 N 0.16 1.29 -0.62 2.04 2.04 -0.48 -0.83 117.51 121.11 3mhg h ILE 116 Ca 0.02 -1.25 -0.00 0.00 1.00 0.00 0.00 64.86 64.63 3mhg h ILE 116 Cb 0.67 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 3mhg h ILE 116 CO 0.05 0.41 0.38 0.50 0.00 0.00 0.00 178.15 179.48 3mhg h LYS 117 N 0.44 0.84 0.00 2.37 3.64 -0.89 -2.32 116.57 120.65 3mhg h LYS 117 Ca 0.07 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3mhg h LYS 117 Cb 0.68 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3mhg h LYS 117 CO 0.05 0.59 -0.08 0.93 -2.27 0.00 0.00 179.45 178.67 3mhg h GLU 118 N 0.84 0.00 -0.04 1.90 5.08 -0.75 -1.17 114.58 120.44 3mhg h GLU 118 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3mhg h GLU 118 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3mhg h GLU 118 CO -0.04 0.08 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 3mhg n ALA 119 N -2.28 2.60 -0.10 3.43 0.00 -0.34 -4.91 120.51 118.92 3mhg n ALA 119 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3mhg n ALA 119 Cb 0.18 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3mhg n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mhg n GLY 120 N 0.97 0.91 3.79 0.00 0.00 -0.44 -5.07 105.19 105.35 3mhg n GLY 120 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3mhg n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhg s ALA 121 N -2.02 2.95 -2.90 4.61 0.00 -1.10 -4.77 121.76 118.52 3mhg s ALA 121 Ca 0.00 0.64 0.24 0.00 0.00 0.00 0.00 51.96 52.84 3mhg s ALA 121 Cb 0.00 -3.26 0.31 0.00 0.00 0.00 0.00 23.12 20.18 3mhg s ALA 121 CO 0.00 -0.27 1.33 0.39 0.00 0.00 0.00 175.76 177.21 3mhg n GLU 122 N -0.66 2.26 -3.55 0.00 4.71 0.10 -4.68 120.64 118.82 3mhg n GLU 122 Ca 0.08 -1.83 -0.16 0.00 -0.01 0.00 0.00 57.16 55.24 3mhg n GLU 122 Cb 0.52 -1.47 -0.06 0.00 -1.01 0.00 0.00 31.44 29.42 3mhg n GLU 122 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3mhg s ALA 123 N -1.97 -1.82 -0.20 0.62 0.00 -1.19 -4.01 121.76 113.20 3mhg s ALA 123 Ca 0.30 1.46 -0.12 0.00 0.00 0.00 0.00 51.96 53.60 3mhg s ALA 123 Cb 0.20 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 3mhg s ALA 123 CO 0.31 -0.35 0.21 0.08 0.00 0.00 0.00 175.76 176.01 3mhg s VAL 124 N -1.00 5.35 -0.08 0.00 1.01 -0.30 -2.28 120.40 123.10 3mhg s VAL 124 Ca -0.08 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.28 3mhg s VAL 124 Cb -0.01 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 3mhg s VAL 124 CO 0.07 0.39 -0.13 -0.75 0.00 0.00 0.00 175.10 174.67 3mhg s LYS 125 N 0.62 2.81 -0.02 2.72 2.36 -0.37 -0.61 119.74 127.25 3mhg s LYS 125 Ca 0.12 -0.68 0.00 0.00 -2.55 0.00 0.00 55.97 52.86 3mhg s LYS 125 Cb -0.12 -2.48 0.02 0.00 -1.05 0.00 0.00 37.83 34.20 3mhg s LYS 125 CO 0.02 0.50 -0.00 0.12 1.55 0.00 0.00 175.35 177.54 3mhg s PHE 126 N -0.40 0.25 -0.22 4.03 2.19 -0.44 -0.41 117.98 122.97 3mhg s PHE 126 Ca 0.05 0.01 -0.11 0.00 0.33 0.00 0.00 56.93 57.20 3mhg s PHE 126 Cb -0.12 -0.31 -0.05 0.00 -1.31 0.00 0.00 43.02 41.23 3mhg s PHE 126 CO 0.02 -0.09 0.20 -1.17 1.83 0.00 0.00 175.22 176.01 3mhg s LEU 127 N 0.73 4.14 -0.11 6.12 2.96 -1.26 -0.78 118.68 130.47 3mhg s LEU 127 Ca -0.07 0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 3mhg s LEU 127 Cb -0.10 -2.18 -0.00 0.00 0.50 0.00 0.00 46.19 44.40 3mhg s LEU 127 CO -0.01 0.06 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.65 3mhg s LEU 128 N 0.98 2.30 -0.02 -0.68 2.96 -0.10 -4.92 118.68 119.21 3mhg s LEU 128 Ca 0.10 -0.48 -0.24 0.00 -0.22 0.00 0.00 54.13 53.28 3mhg s LEU 128 Cb -0.13 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 3mhg s LEU 128 CO 0.04 0.16 0.74 -0.31 -1.32 0.00 0.00 176.35 175.66 3mhg s TYR 129 N 0.37 3.65 -0.05 5.38 1.51 -1.26 -1.61 117.35 125.35 3mhg s TYR 129 Ca -0.16 1.37 -0.02 0.00 -1.01 0.00 0.00 57.07 57.25 3mhg s TYR 129 Cb -0.17 -2.82 0.03 0.00 -0.11 0.00 0.00 41.96 38.89 3mhg s TYR 129 CO 0.07 0.16 0.09 -0.47 -1.11 0.00 0.00 175.55 174.29 3mhg s TYR 130 N 0.44 -0.05 -0.38 2.71 5.04 -0.60 -4.95 117.35 119.57 3mhg s TYR 130 Ca 0.39 0.32 -0.02 0.00 -2.44 0.00 0.00 57.07 55.33 3mhg s TYR 130 Cb -0.19 -0.24 0.10 0.00 0.35 0.00 0.00 41.96 41.98 3mhg s TYR 130 CO 0.21 -0.15 0.15 0.34 -1.34 0.00 0.00 175.55 174.75 3mhg s ASP 131 N 1.46 5.12 0.55 4.32 -1.08 -1.26 -3.06 116.67 122.72 3mhg s ASP 131 Ca -0.05 -1.93 0.26 0.00 -0.52 0.00 0.00 52.55 50.31 3mhg s ASP 131 Cb -0.12 -1.78 1.47 0.00 -1.46 0.00 0.00 42.92 41.03 3mhg s ASP 131 CO -0.04 -0.47 2.01 -0.29 0.52 0.00 0.00 175.17 176.90 3mhg h ILE 132 N 6.42 0.62 -0.32 4.11 6.09 -1.85 0.15 117.51 132.73 3mhg h ILE 132 Ca -0.13 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.36 3mhg h ILE 132 Cb 1.05 0.76 0.00 0.00 0.47 0.00 0.00 36.82 39.09 3mhg h ILE 132 CO 0.64 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 176.19 3mhg n ASP 133 N -4.13 2.65 -2.12 2.19 8.00 -1.26 -4.97 116.55 116.91 3mhg n ASP 133 Ca 0.07 -1.89 -0.01 0.00 0.71 0.00 0.00 54.79 53.67 3mhg n ASP 133 Cb 0.52 -0.21 0.01 0.00 -0.02 0.00 0.00 41.12 41.42 3mhg n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mhg n GLY 134 N 1.33 -1.23 3.67 0.44 0.00 0.53 -4.94 105.19 104.99 3mhg n GLY 134 Ca 0.18 -1.66 -0.46 0.00 0.00 0.00 0.00 46.02 44.08 3mhg n GLY 134 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mhg n ASP 135 N -3.04 3.24 0.09 1.61 -0.08 -1.26 -4.88 116.55 112.22 3mhg n ASP 135 Ca 0.01 1.06 -0.03 0.00 -1.51 0.00 0.00 54.79 54.32 3mhg n ASP 135 Cb 0.03 -1.44 0.18 0.00 2.34 0.00 0.00 41.12 42.23 3mhg n ASP 135 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 3mhg h GLN 136 N 6.47 0.22 -0.38 -0.67 3.07 -1.96 -1.64 115.11 120.21 3mhg h GLN 136 Ca -0.45 -0.13 -0.15 0.00 0.09 0.00 0.00 58.65 58.01 3mhg h GLN 136 Cb 1.25 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.81 3mhg h GLN 136 CO 0.90 0.68 -0.34 -0.44 0.09 0.00 0.00 178.83 179.72 3mhg h ASP 137 N 0.17 0.93 -0.46 0.06 3.32 -1.99 -0.44 116.42 118.02 3mhg h ASP 137 Ca 0.01 -0.41 0.04 0.00 0.02 0.00 0.00 57.03 56.69 3mhg h ASP 137 Cb 0.96 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.21 3mhg h ASP 137 CO 0.08 1.18 0.24 0.58 -1.72 0.00 0.00 179.24 179.60 3mhg h VAL 138 N 0.73 0.97 -0.08 -1.35 2.07 -1.87 -1.91 116.25 114.81 3mhg h VAL 138 Ca 0.07 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.33 3mhg h VAL 138 Cb 0.92 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3mhg h VAL 138 CO 0.08 0.09 -0.40 0.78 0.02 0.00 0.00 177.57 178.14 3mhg h ASN 139 N 0.47 0.18 -0.65 0.57 2.35 -1.13 -1.32 115.58 116.04 3mhg h ASN 139 Ca 0.20 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3mhg h ASN 139 Cb 0.10 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3mhg h ASN 139 CO -0.14 0.56 0.34 -0.33 -1.65 0.00 0.00 177.43 176.22 3mhg h GLU 140 N 0.14 0.91 -0.57 0.81 4.39 -0.78 0.15 114.58 119.63 3mhg h GLU 140 Ca 0.01 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 3mhg h GLU 140 Cb 0.77 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 3mhg h GLU 140 CO 0.06 0.70 0.24 0.37 -1.16 0.00 0.00 179.01 179.22 3mhg h GLN 141 N 0.89 0.84 -0.34 2.33 4.15 -0.91 -0.74 115.11 121.33 3mhg h GLN 141 Ca 0.23 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 3mhg h GLN 141 Cb 0.06 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 3mhg h GLN 141 CO -0.03 0.71 0.17 0.87 -1.93 0.00 0.00 178.83 178.62 3mhg h LYS 142 N 0.78 0.48 -0.44 1.69 1.57 -1.01 -1.16 116.57 118.47 3mhg h LYS 142 Ca 0.19 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3mhg h LYS 142 Cb 0.18 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3mhg h LYS 142 CO -0.02 0.42 0.25 0.87 -0.57 0.00 0.00 179.45 180.41 3mhg h LYS 143 N 0.41 0.61 -0.77 3.15 1.57 -0.77 -1.22 116.57 119.54 3mhg h LYS 143 Ca 0.12 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.91 3mhg h LYS 143 Cb 0.10 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.22 3mhg h LYS 143 CO -0.02 0.48 0.45 0.00 -0.57 0.00 0.00 179.45 179.78 3mhg h ALA 144 N 1.10 1.07 -0.60 3.86 0.00 -1.03 -0.94 119.26 122.71 3mhg h ALA 144 Ca 0.16 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3mhg h ALA 144 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3mhg h ALA 144 CO -0.03 0.12 0.26 -0.92 0.00 0.00 0.00 179.25 178.68 3mhg h TYR 145 N 0.79 0.90 -0.34 0.00 3.20 -0.36 -2.45 116.97 118.70 3mhg h TYR 145 Ca 0.36 -0.06 -0.12 0.00 3.14 0.00 0.00 58.73 62.05 3mhg h TYR 145 Cb 0.26 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3mhg h TYR 145 CO -0.06 0.70 -0.26 0.82 -1.64 0.00 0.00 178.16 177.72 3mhg h ILE 146 N 0.83 1.27 -0.62 1.81 1.08 -0.86 -2.69 117.51 118.33 3mhg h ILE 146 Ca 0.20 -1.37 0.08 0.00 -0.39 0.00 0.00 64.86 63.39 3mhg h ILE 146 Cb 0.17 1.30 -0.06 0.00 -3.07 0.00 0.00 36.82 35.15 3mhg h ILE 146 CO -0.02 0.45 0.28 -0.33 -0.69 0.00 0.00 178.15 177.84 3mhg h GLU 147 N 0.59 0.49 -0.54 2.37 5.08 -0.83 0.32 114.58 122.08 3mhg h GLU 147 Ca 0.08 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3mhg h GLU 147 Cb 0.75 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 3mhg h GLU 147 CO 0.06 0.33 0.33 0.00 -1.00 0.00 0.00 179.01 178.73 3mhg h ARG 148 N 0.51 0.65 -0.26 2.33 3.08 -1.14 -0.92 114.38 118.62 3mhg h ARG 148 Ca 0.30 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.22 3mhg h ARG 148 Cb 0.31 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3mhg h ARG 148 CO -0.25 0.43 -0.19 0.82 -1.07 0.00 0.00 179.97 179.71 3mhg h ILE 149 N 0.67 1.31 -0.92 2.04 2.04 -1.15 -1.05 117.51 120.44 3mhg h ILE 149 Ca 0.21 -1.31 0.11 0.00 1.00 0.00 0.00 64.86 64.86 3mhg h ILE 149 Cb -0.01 1.59 -0.08 0.00 -0.74 0.00 0.00 36.82 37.58 3mhg h ILE 149 CO -0.08 0.41 0.55 1.23 0.00 0.00 0.00 178.15 180.27 3mhg h GLY 150 N 0.31 1.47 0.89 5.37 0.00 -0.80 -1.16 103.07 109.15 3mhg h GLY 150 Ca 0.05 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 3mhg h GLY 150 CO 0.05 0.14 -0.10 1.76 0.00 0.00 0.00 176.54 178.39 3mhg h SER 151 N 0.89 0.60 -0.49 0.19 0.02 -0.89 -1.50 113.55 112.37 3mhg h SER 151 Ca 0.45 -0.39 0.09 0.00 -0.84 0.00 0.00 61.79 61.11 3mhg h SER 151 Cb 0.43 -0.16 -0.08 0.00 0.14 0.00 0.00 62.40 62.73 3mhg h SER 151 CO -0.26 0.85 0.02 -0.33 -1.14 0.00 0.00 176.83 175.97 3mhg h GLU 152 N 0.34 0.14 -0.13 3.45 5.08 -0.74 -0.44 114.58 122.28 3mhg h GLU 152 Ca 0.07 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 3mhg h GLU 152 Cb 0.60 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3mhg h GLU 152 CO 0.04 0.09 -0.42 0.00 -1.00 0.00 0.00 179.01 177.71 3mhg h ARG 154 N 0.25 0.47 -0.52 0.00 2.43 -0.69 0.13 114.38 116.46 3mhg h ARG 154 Ca 0.02 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 3mhg h ARG 154 Cb 0.85 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 3mhg h ARG 154 CO 0.07 0.51 0.14 0.00 -1.51 0.00 0.00 179.97 179.18 3mhg h ALA 155 N 0.94 0.68 -0.00 2.80 0.00 -0.65 -2.47 119.26 120.56 3mhg h ALA 155 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3mhg h ALA 155 Cb 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3mhg h ALA 155 CO -0.00 0.36 -0.06 0.39 0.00 0.00 0.00 179.25 179.93 3mhg n GLU 156 N -4.46 0.30 -3.43 0.00 -0.58 0.04 -4.94 120.64 107.57 3mhg n GLU 156 Ca 0.02 -0.04 -0.18 0.00 -0.42 0.00 0.00 57.16 56.54 3mhg n GLU 156 Cb 0.21 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.66 3mhg n GLU 156 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3mhg n ASP 157 N -1.31 -3.19 -3.87 1.62 2.03 0.36 -5.02 116.55 107.17 3mhg n ASP 157 Ca 0.11 -0.69 -0.16 0.00 0.52 0.00 0.00 54.79 54.58 3mhg n ASP 157 Cb 0.29 -4.94 -0.15 0.00 -0.72 0.00 0.00 41.12 35.60 3mhg n ASP 157 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3mhg s ILE 158 N -3.42 0.25 0.35 5.18 2.07 -0.63 -4.29 121.20 120.71 3mhg s ILE 158 Ca 0.13 -0.03 -0.28 0.00 -1.41 0.00 0.00 60.65 59.06 3mhg s ILE 158 Cb -0.02 -0.28 -0.12 0.00 0.13 0.00 0.00 42.46 42.17 3mhg s ILE 158 CO 0.75 0.12 1.33 -2.65 -1.91 0.00 0.00 174.94 172.58 3mhg n PRO 159 N 3.62 2.24 -3.65 3.50 -0.02 -1.26 -4.62 135.00 134.82 3mhg n PRO 159 Ca -0.21 0.79 -0.39 0.00 -2.02 0.00 0.00 63.50 61.67 3mhg n PRO 159 Cb 0.54 -2.41 -0.12 0.00 -0.02 0.00 0.00 33.50 31.50 3mhg n PRO 159 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3mhg s PHE 160 N -1.11 3.23 -0.34 6.00 5.36 -1.26 -1.15 117.98 128.71 3mhg s PHE 160 Ca 0.55 -1.02 -0.14 0.00 -0.96 0.00 0.00 56.93 55.36 3mhg s PHE 160 Cb -0.54 -2.38 -0.01 0.00 -0.34 0.00 0.00 43.02 39.74 3mhg s PHE 160 CO 0.62 -0.64 0.30 0.71 -1.46 0.00 0.00 175.22 174.76 3mhg s TYR 161 N 1.52 3.22 -0.26 10.12 1.51 0.22 -0.69 117.35 133.00 3mhg s TYR 161 Ca 0.02 -0.12 -0.08 0.00 -1.01 0.00 0.00 57.07 55.87 3mhg s TYR 161 Cb -0.19 -2.58 -0.03 0.00 -0.11 0.00 0.00 41.96 39.06 3mhg s TYR 161 CO 0.05 -0.40 0.09 -1.17 -1.11 0.00 0.00 175.55 173.02 3mhg s LEU 162 N 1.87 3.55 -0.06 -1.29 2.96 -0.46 -1.33 118.68 123.93 3mhg s LEU 162 Ca 0.09 -0.21 -0.17 0.00 -0.22 0.00 0.00 54.13 53.63 3mhg s LEU 162 Cb -0.17 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 3mhg s LEU 162 CO 0.11 -0.05 0.44 -0.70 -1.32 0.00 0.00 176.35 174.84 3mhg s GLU 163 N 1.63 4.15 -0.17 1.98 2.12 0.04 -0.64 118.70 127.81 3mhg s GLU 163 Ca 0.06 0.43 0.01 0.00 0.36 0.00 0.00 54.97 55.83 3mhg s GLU 163 Cb -0.15 -3.33 0.01 0.00 0.26 0.00 0.00 34.13 30.92 3mhg s GLU 163 CO 0.05 0.43 -0.18 0.42 -0.54 0.00 0.00 175.26 175.44 3mhg s ILE 164 N -0.25 2.37 -0.20 -3.70 1.01 -0.56 -0.92 121.20 118.95 3mhg s ILE 164 Ca 0.25 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 3mhg s ILE 164 Cb -0.16 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 3mhg s ILE 164 CO 0.12 0.52 -0.06 -0.76 0.00 0.00 0.00 174.94 174.76 3mhg s LEU 165 N 1.06 2.85 0.46 2.97 1.43 -0.63 -4.22 118.68 122.59 3mhg s LEU 165 Ca -0.01 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 3mhg s LEU 165 Cb -0.14 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 3mhg s LEU 165 CO -0.06 0.02 0.76 0.42 0.23 0.00 0.00 176.35 177.73 3mhg s THR 166 N 1.22 4.91 0.27 5.49 -4.23 -1.26 -1.55 115.64 120.49 3mhg s THR 166 Ca 0.03 0.21 -0.21 0.00 -1.18 0.00 0.00 61.69 60.53 3mhg s THR 166 Cb -0.14 -3.84 0.04 0.00 1.34 0.00 0.00 72.50 69.89 3mhg s THR 166 CO -0.02 -0.77 0.81 -0.72 -0.54 0.00 0.00 174.62 173.38 3mhg s TYR 167 N -2.65 -0.09 -0.08 3.99 -0.85 -1.17 -4.87 117.35 111.62 3mhg s TYR 167 Ca 0.47 -0.38 0.03 0.00 -0.52 0.00 0.00 57.07 56.67 3mhg s TYR 167 Cb -0.10 0.72 0.01 0.00 0.38 0.00 0.00 41.96 42.97 3mhg s TYR 167 CO 0.42 -1.20 -0.17 0.34 -1.52 0.00 0.00 175.55 173.42 3mhg s ASP 168 N -3.00 2.36 0.55 -0.18 2.15 -1.26 -4.21 116.67 113.09 3mhg s ASP 168 Ca 0.13 -0.41 0.29 0.00 0.43 0.00 0.00 52.55 52.98 3mhg s ASP 168 Cb -0.05 -1.08 1.46 0.00 -0.30 0.00 0.00 42.92 42.95 3mhg s ASP 168 CO 0.07 0.08 1.93 -0.33 -0.17 0.00 0.00 175.17 176.75 3mhg h GLU 169 N 6.93 0.00 -0.36 4.34 5.08 -1.95 -1.58 114.58 127.03 3mhg h GLU 169 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3mhg h GLU 169 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3mhg h GLU 169 CO 0.48 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.12 3mhg n LYS 170 N -4.12 2.88 -4.07 2.33 5.02 -1.26 -4.87 118.16 114.07 3mhg n LYS 170 Ca 0.12 -2.14 -0.32 0.00 -2.02 0.00 0.00 58.31 53.95 3mhg n LYS 170 Cb 0.75 -1.33 -0.16 0.00 -0.02 0.00 0.00 35.03 34.28 3mhg n LYS 170 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3mhg s ILE 171 N -1.13 2.02 0.16 -0.18 1.01 -0.60 -5.02 121.20 117.46 3mhg s ILE 171 Ca 0.26 -1.29 -0.11 0.00 0.00 0.00 0.00 60.65 59.51 3mhg s ILE 171 Cb 0.14 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.61 3mhg s ILE 171 CO 0.16 0.19 1.59 0.00 0.00 0.00 0.00 174.94 176.88 3mhg h ALA 172 N 7.87 0.70 -3.27 9.38 0.00 -1.90 -3.41 119.26 128.63 3mhg h ALA 172 Ca -0.29 -0.33 -0.67 0.00 0.00 0.00 0.00 54.91 53.62 3mhg h ALA 172 Cb 1.08 -0.19 -0.31 0.00 0.00 0.00 0.00 17.79 18.37 3mhg h ALA 172 CO 0.52 0.58 -0.73 0.34 0.00 0.00 0.00 179.25 179.96 3mhg s ASP 173 N -6.53 4.45 0.19 0.00 2.15 -1.26 -4.97 116.67 110.70 3mhg s ASP 173 Ca -0.12 -0.90 0.18 0.00 0.43 0.00 0.00 52.55 52.14 3mhg s ASP 173 Cb 0.12 -1.69 0.82 0.00 -0.30 0.00 0.00 42.92 41.87 3mhg s ASP 173 CO 0.85 -0.15 1.54 0.59 -0.17 0.00 0.00 175.17 177.83 3mhg n ASN 174 N 4.68 0.41 -0.46 -0.34 4.13 -1.26 -1.95 115.26 120.47 3mhg n ASN 174 Ca -0.16 0.64 0.13 0.00 1.68 0.00 0.00 54.58 56.87 3mhg n ASN 174 Cb 0.47 -0.71 0.35 0.00 -1.54 0.00 0.00 39.78 38.35 3mhg n ASN 174 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mhg n ALA 175 N -1.68 2.86 -1.77 5.41 0.00 -1.26 -4.55 120.51 119.51 3mhg n ALA 175 Ca 0.01 -0.49 -0.32 0.00 0.00 0.00 0.00 53.44 52.65 3mhg n ALA 175 Cb 0.12 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3mhg n ALA 175 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3mhg s SER 176 N -2.24 6.13 0.41 0.00 1.04 -0.82 -4.90 113.70 113.32 3mhg s SER 176 Ca 0.29 1.57 0.09 0.00 0.48 0.00 0.00 55.95 58.38 3mhg s SER 176 Cb 0.20 -2.50 0.90 0.00 0.10 0.00 0.00 66.02 64.72 3mhg s SER 176 CO 0.42 -0.93 2.04 -0.65 0.98 0.00 0.00 173.24 175.10 3mhg h PRO 177 N 0.13 0.51 -0.36 4.02 0.11 -1.92 -1.43 132.00 133.05 3mhg h PRO 177 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3mhg h PRO 177 Cb 1.20 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3mhg h PRO 177 CO 0.60 0.34 0.21 1.49 -0.21 0.00 0.00 178.00 180.43 3mhg h GLU 178 N 0.53 0.49 -0.27 1.05 4.81 -1.92 -2.35 114.58 116.92 3mhg h GLU 178 Ca 0.19 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.20 3mhg h GLU 178 Cb 0.10 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 3mhg h GLU 178 CO -0.05 0.39 -0.52 0.35 -0.73 0.00 0.00 179.01 178.45 3mhg h PHE 179 N 0.46 0.97 -1.00 0.92 3.57 -1.71 -2.97 116.94 117.18 3mhg h PHE 179 Ca 0.13 -0.33 0.24 0.00 3.53 0.00 0.00 57.97 61.53 3mhg h PHE 179 Cb 0.03 -0.19 -0.12 0.00 2.79 0.00 0.00 35.95 38.46 3mhg h PHE 179 CO -0.03 1.13 0.59 0.00 -2.23 0.00 0.00 178.31 177.77 3mhg h ALA 180 N 0.80 1.77 0.00 2.41 0.00 -0.97 0.06 119.26 123.33 3mhg h ALA 180 Ca 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3mhg h ALA 180 Cb 1.10 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3mhg h ALA 180 CO 0.11 -0.25 -0.05 0.87 0.00 0.00 0.00 179.25 179.93 3mhg h LYS 181 N 0.59 0.00 -0.01 0.00 1.57 -1.26 -3.00 116.57 114.47 3mhg h LYS 181 Ca 0.64 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.42 3mhg h LYS 181 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3mhg h LYS 181 CO -0.47 0.05 -0.02 1.33 -0.57 0.00 0.00 179.45 179.76 3mhg n VAL 182 N -3.21 0.00 -0.24 0.50 0.24 -0.14 -4.77 118.33 110.72 3mhg n VAL 182 Ca -0.00 -0.49 -0.04 0.00 -2.04 0.00 0.00 64.34 61.77 3mhg n VAL 182 Cb 0.27 1.16 0.07 0.00 -1.47 0.00 0.00 33.84 33.87 3mhg n VAL 182 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3mhg h LYS 183 N 1.48 0.79 -0.49 7.34 3.64 -1.02 -2.00 116.57 126.31 3mhg h LYS 183 Ca 0.00 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3mhg h LYS 183 Cb 0.33 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3mhg h LYS 183 CO 0.00 0.53 0.31 0.00 -2.27 0.00 0.00 179.45 178.01 3mhg h ALA 184 N 1.29 0.63 -0.28 5.00 0.00 -1.76 -0.52 119.26 123.62 3mhg h ALA 184 Ca 0.27 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3mhg h ALA 184 Cb 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3mhg h ALA 184 CO -0.11 0.03 0.12 1.25 0.00 0.00 0.00 179.25 180.54 3mhg h HIS 185 N 0.63 0.22 -0.41 0.00 -0.00 -1.80 -0.79 115.15 113.00 3mhg h HIS 185 Ca 0.19 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.57 3mhg h HIS 185 Cb -0.02 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.30 3mhg h HIS 185 CO -0.05 0.12 0.26 0.87 -0.00 0.00 0.00 177.93 179.12 3mhg h LYS 186 N 0.26 0.55 0.07 5.26 1.79 -0.69 -1.64 116.57 122.18 3mhg h LYS 186 Ca 0.12 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3mhg h LYS 186 Cb 0.05 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 3mhg h LYS 186 CO -0.09 0.39 -0.03 0.28 -1.08 0.00 0.00 179.45 178.91 3mhg h VAL 187 N 0.55 1.24 -0.43 0.50 2.07 -1.04 -2.82 116.25 116.33 3mhg h VAL 187 Ca 0.15 -1.27 -0.13 0.00 0.82 0.00 0.00 66.70 66.27 3mhg h VAL 187 Cb -0.03 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3mhg h VAL 187 CO -0.03 0.31 -0.24 0.78 0.02 0.00 0.00 177.57 178.41 3mhg h ASN 188 N -0.68 0.90 0.43 0.57 2.35 -1.15 -1.54 115.58 116.45 3mhg h ASN 188 Ca -0.01 -0.34 -0.16 0.00 -0.55 0.00 0.00 56.30 55.24 3mhg h ASN 188 Cb 0.57 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3mhg h ASN 188 CO 0.01 1.09 -0.67 -0.33 -1.65 0.00 0.00 177.43 175.89 3mhg h GLU 189 N 0.76 0.22 -0.52 0.81 4.39 -1.42 -2.18 114.58 116.64 3mhg h GLU 189 Ca 0.10 -0.17 -0.12 0.00 0.34 0.00 0.00 59.36 59.51 3mhg h GLU 189 Cb 0.78 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 3mhg h GLU 189 CO 0.06 0.81 -0.14 0.00 -1.16 0.00 0.00 179.01 178.58 3mhg h ALA 190 N 1.15 0.76 -0.92 3.43 0.00 -1.33 -1.92 119.26 120.43 3mhg h ALA 190 Ca -0.02 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.55 3mhg h ALA 190 Cb 1.20 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 3mhg h ALA 190 CO 0.10 0.67 0.61 0.52 0.00 0.00 0.00 179.25 181.15 3mhg h MET 191 N 0.88 1.19 -0.38 0.00 2.86 -1.17 -1.30 114.93 117.01 3mhg h MET 191 Ca 0.13 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 3mhg h MET 191 Cb 0.71 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3mhg h MET 191 CO 0.05 0.79 0.16 -0.22 1.06 0.00 0.00 176.91 178.75 3mhg h LYS 192 N 1.22 0.56 -0.16 1.72 3.64 -1.13 -1.38 116.57 121.05 3mhg h LYS 192 Ca 0.34 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.65 3mhg h LYS 192 Cb -0.11 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3mhg h LYS 192 CO -0.08 0.53 0.03 0.28 -2.27 0.00 0.00 179.45 177.94 3mhg h VAL 193 N 0.47 0.94 -0.05 2.00 2.07 -1.03 -2.98 116.25 117.67 3mhg h VAL 193 Ca 0.13 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.61 3mhg h VAL 193 Cb 0.17 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3mhg h VAL 193 CO -0.01 0.02 0.00 0.49 0.02 0.00 0.00 177.57 178.09 3mhg n PHE 194 N -5.08 0.06 1.43 1.57 3.72 -0.52 -2.21 117.46 116.42 3mhg n PHE 194 Ca -0.04 -0.03 0.14 0.00 -0.05 0.00 0.00 57.45 57.48 3mhg n PHE 194 Cb 0.07 0.00 0.59 0.00 -0.94 0.00 0.00 39.48 39.21 3mhg n PHE 194 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3mhg n SER 195 N -0.22 0.61 -4.77 4.37 7.64 -0.54 -4.67 113.62 116.03 3mhg n SER 195 Ca 0.18 -0.73 -0.41 0.00 1.01 0.00 0.00 58.87 58.93 3mhg n SER 195 Cb 0.24 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.40 3mhg n SER 195 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3mhg s LYS 196 N -2.41 4.13 0.36 1.43 1.02 -0.94 -4.89 119.74 118.45 3mhg s LYS 196 Ca 0.30 2.55 0.13 0.00 0.02 0.00 0.00 55.97 58.97 3mhg s LYS 196 Cb 0.20 -2.99 0.96 0.00 -0.52 0.00 0.00 37.83 35.48 3mhg s LYS 196 CO 0.46 -0.52 1.78 1.49 -0.92 0.00 0.00 175.35 177.64 3mhg h GLU 197 N 3.36 0.52 0.00 1.68 4.81 -1.91 -2.34 114.58 120.71 3mhg h GLU 197 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3mhg h GLU 197 Cb 1.23 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3mhg h GLU 197 CO 0.67 0.35 0.00 0.07 -0.73 0.00 0.00 179.01 179.36 3mhg h ARG 198 N 0.54 0.00 0.00 1.92 0.11 -1.96 -2.17 114.38 112.82 3mhg h ARG 198 Ca 0.58 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.66 3mhg h ARG 198 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 3mhg h ARG 198 CO -0.33 0.00 -0.48 1.19 0.10 0.00 0.00 179.97 180.45 3mhg n PHE 199 N -2.75 0.10 -1.74 4.08 3.72 -0.88 -4.70 117.46 115.29 3mhg n PHE 199 Ca -0.01 0.03 -0.17 0.00 -0.05 0.00 0.00 57.45 57.25 3mhg n PHE 199 Cb 0.12 -0.35 -0.05 0.00 -0.94 0.00 0.00 39.48 38.26 3mhg n PHE 199 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mhg n GLY 200 N 1.47 1.06 3.73 1.37 0.00 -0.82 -4.08 105.19 107.93 3mhg n GLY 200 Ca 0.05 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3mhg n GLY 200 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mhg s VAL 201 N -2.69 4.13 -0.23 1.61 1.01 -1.26 -4.62 120.40 118.35 3mhg s VAL 201 Ca 0.00 1.79 0.08 0.00 0.00 0.00 0.00 61.98 63.85 3mhg s VAL 201 Cb 0.00 -4.15 -0.20 0.00 0.00 0.00 0.00 36.38 32.03 3mhg s VAL 201 CO 0.00 0.29 -0.08 0.47 0.00 0.00 0.00 175.10 175.78 3mhg n ASP 202 N 2.62 1.20 -3.82 3.32 8.00 0.14 -4.97 116.55 123.03 3mhg n ASP 202 Ca 0.03 -0.07 -0.13 0.00 0.71 0.00 0.00 54.79 55.33 3mhg n ASP 202 Cb 0.47 0.13 -0.14 0.00 -0.02 0.00 0.00 41.12 41.56 3mhg n ASP 202 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mhg s VAL 203 N -2.51 -0.02 -0.22 2.53 1.01 -0.98 -4.20 120.40 116.01 3mhg s VAL 203 Ca -0.24 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 3mhg s VAL 203 Cb 0.08 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.31 3mhg s VAL 203 CO 0.70 0.03 0.20 -0.76 0.00 0.00 0.00 175.10 175.26 3mhg s LEU 204 N 0.37 4.16 -0.37 3.92 1.43 -0.52 -1.35 118.68 126.32 3mhg s LEU 204 Ca -0.03 0.23 -0.13 0.00 -1.03 0.00 0.00 54.13 53.17 3mhg s LEU 204 Cb -0.04 -2.18 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 3mhg s LEU 204 CO -0.01 0.08 0.26 -0.75 0.23 0.00 0.00 176.35 176.15 3mhg s LYS 205 N 0.87 3.26 0.23 1.70 2.20 0.19 -0.52 119.74 127.67 3mhg s LYS 205 Ca 0.10 -0.81 0.03 0.00 -0.36 0.00 0.00 55.97 54.93 3mhg s LYS 205 Cb -0.13 -3.85 -0.05 0.00 -1.51 0.00 0.00 37.83 32.29 3mhg s LYS 205 CO 0.03 -0.57 0.02 0.14 -0.36 0.00 0.00 175.35 174.61 3mhg s VAL 206 N 1.69 0.91 0.48 4.02 -7.23 -0.08 -1.50 120.40 118.69 3mhg s VAL 206 Ca 0.05 -2.02 -0.19 0.00 -1.81 0.00 0.00 61.98 58.01 3mhg s VAL 206 Cb -0.18 -2.40 -0.09 0.00 0.56 0.00 0.00 36.38 34.27 3mhg s VAL 206 CO 0.10 -0.26 0.99 -1.61 -0.31 0.00 0.00 175.10 174.01 3mhg s GLU 207 N -3.90 3.95 0.47 4.82 2.02 -1.26 -1.64 118.70 123.16 3mhg s GLU 207 Ca 0.30 1.16 -0.24 0.00 0.02 0.00 0.00 54.97 56.20 3mhg s GLU 207 Cb 0.06 -2.13 -0.07 0.00 0.10 0.00 0.00 34.13 32.09 3mhg s GLU 207 CO 0.09 -0.28 1.34 0.14 0.02 0.00 0.00 175.26 176.58 3mhg s VAL 208 N -2.26 2.33 -1.30 2.63 -7.23 -1.26 -4.88 120.40 108.43 3mhg s VAL 208 Ca 0.63 0.28 0.01 0.00 -1.81 0.00 0.00 61.98 61.08 3mhg s VAL 208 Cb -0.12 -3.15 0.03 0.00 0.56 0.00 0.00 36.38 33.70 3mhg s VAL 208 CO 0.22 0.02 0.70 -0.81 -0.31 0.00 0.00 175.10 174.92 3mhg n PRO 209 N -0.41 1.12 -3.89 4.82 -0.04 -1.26 -4.76 135.00 130.58 3mhg n PRO 209 Ca 0.07 -0.11 -0.11 0.00 -0.04 0.00 0.00 63.50 63.31 3mhg n PRO 209 Cb 0.44 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 3mhg n PRO 209 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3mhg s VAL 210 N -1.35 0.10 -0.57 0.52 -7.23 -1.26 -2.89 120.40 107.71 3mhg s VAL 210 Ca 0.02 -0.84 -0.21 0.00 -1.81 0.00 0.00 61.98 59.15 3mhg s VAL 210 Cb 0.01 -0.62 0.07 0.00 0.56 0.00 0.00 36.38 36.41 3mhg s VAL 210 CO 0.01 -0.46 0.78 0.21 -0.31 0.00 0.00 175.10 175.33 3mhg s ASN 211 N -1.69 6.22 0.60 4.85 3.84 -1.26 -4.92 114.94 122.59 3mhg s ASN 211 Ca -0.11 -0.99 0.34 0.00 0.21 0.00 0.00 52.86 52.31 3mhg s ASN 211 Cb -0.05 -2.35 1.95 0.00 -0.55 0.00 0.00 41.25 40.25 3mhg s ASN 211 CO -0.01 -1.14 2.27 0.24 -2.79 0.00 0.00 177.10 175.67 3mhg h MET 212 N 9.24 0.00 0.00 0.43 2.86 -1.96 -1.16 114.93 124.33 3mhg h MET 212 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3mhg h MET 212 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 3mhg h MET 212 CO 1.07 0.01 0.00 1.63 1.06 0.00 0.00 176.91 180.69 3mhg n LYS 213 N -3.60 0.02 -0.17 1.72 5.02 -1.26 -1.59 118.16 118.28 3mhg n LYS 213 Ca -0.03 0.36 0.05 0.00 -2.02 0.00 0.00 58.31 56.67 3mhg n LYS 213 Cb 0.10 -1.54 0.14 0.00 -0.02 0.00 0.00 35.03 33.71 3mhg n LYS 213 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3mhg n PHE 214 N -1.57 0.43 -3.78 2.13 3.01 -0.44 -4.14 117.46 113.11 3mhg n PHE 214 Ca 0.02 -0.54 -0.36 0.00 1.01 0.00 0.00 57.45 57.58 3mhg n PHE 214 Cb 0.11 -0.05 -0.07 0.00 -0.01 0.00 0.00 39.48 39.46 3mhg n PHE 214 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3mhg s VAL 215 N -1.17 5.43 0.11 -4.37 1.01 -0.62 -0.59 120.40 120.20 3mhg s VAL 215 Ca 0.22 0.27 -0.36 0.00 0.00 0.00 0.00 61.98 62.10 3mhg s VAL 215 Cb 0.12 -3.46 -0.16 0.00 0.00 0.00 0.00 36.38 32.88 3mhg s VAL 215 CO 0.13 0.54 1.38 1.21 0.00 0.00 0.00 175.10 178.36 3mhg n GLU 216 N 2.60 1.36 0.00 2.72 4.07 -0.23 -0.39 120.64 130.77 3mhg n GLU 216 Ca -0.18 0.49 0.00 0.00 -0.06 0.00 0.00 57.16 57.41 3mhg n GLU 216 Cb 0.54 -2.15 0.00 0.00 -0.06 0.00 0.00 31.44 29.76 3mhg n GLU 216 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mhg n GLY 217 N 2.67 2.97 0.05 8.31 0.00 -1.26 -4.55 105.19 113.38 3mhg n GLY 217 Ca 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 3mhg n GLY 217 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mhg n PHE 218 N 0.00 0.00 -2.22 1.61 3.01 -0.19 -5.00 117.46 114.67 3mhg n PHE 218 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 3mhg n PHE 218 Cb 0.00 -0.57 -0.03 0.00 -0.01 0.00 0.00 39.48 38.87 3mhg n PHE 218 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3mhg s ALA 219 N -2.67 3.55 -2.67 4.37 0.00 0.48 -4.80 121.76 120.01 3mhg s ALA 219 Ca -0.07 1.07 0.24 0.00 0.00 0.00 0.00 51.96 53.20 3mhg s ALA 219 Cb 0.07 -3.51 0.41 0.00 0.00 0.00 0.00 23.12 20.08 3mhg s ALA 219 CO 0.63 -0.57 1.39 -0.25 0.00 0.00 0.00 175.76 176.95 3mhg n ASP 220 N 3.86 2.98 0.00 0.00 8.00 -1.26 -4.96 116.55 125.17 3mhg n ASP 220 Ca 0.11 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.67 3mhg n ASP 220 Cb 0.43 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 3mhg n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mhg n GLY 221 N 1.39 4.85 3.74 0.44 0.00 -1.26 -5.12 105.19 109.23 3mhg n GLY 221 Ca 0.17 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 3mhg n GLY 221 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3mhg n GLU 222 N 0.00 2.51 -3.78 1.61 2.13 -1.26 -4.99 120.64 116.85 3mhg n GLU 222 Ca 0.00 0.88 -0.36 0.00 0.66 0.00 0.00 57.16 58.34 3mhg n GLU 222 Cb 0.00 -2.59 -0.13 0.00 0.27 0.00 0.00 31.44 28.99 3mhg n GLU 222 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3mhg s VAL 223 N -0.68 4.14 -0.11 6.31 1.01 -1.26 -4.62 120.40 125.18 3mhg s VAL 223 Ca 0.58 -0.23 0.19 0.00 0.00 0.00 0.00 61.98 62.52 3mhg s VAL 223 Cb -0.52 -2.93 -0.28 0.00 0.00 0.00 0.00 36.38 32.66 3mhg s VAL 223 CO 0.58 0.35 0.25 0.18 0.00 0.00 0.00 175.10 176.46 3mhg n LEU 224 N 4.90 0.00 -4.01 3.92 4.77 0.25 -4.99 117.00 121.83 3mhg n LEU 224 Ca -0.17 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.66 3mhg n LEU 224 Cb 0.51 0.24 -0.13 0.00 -2.33 0.00 0.00 43.42 41.71 3mhg n LEU 224 CO 0.30 0.24 -0.41 -0.36 -1.33 0.00 0.00 177.39 175.83 3mhg s PHE 225 N -2.93 0.63 0.76 -1.77 0.08 -0.91 -5.05 117.98 108.79 3mhg s PHE 225 Ca -0.08 -0.24 -0.12 0.00 0.12 0.00 0.00 56.93 56.61 3mhg s PHE 225 Cb 0.09 -0.39 0.05 0.00 -0.57 0.00 0.00 43.02 42.20 3mhg s PHE 225 CO 0.82 -0.03 1.11 0.95 -0.10 0.00 0.00 175.22 177.97 3mhg s THR 226 N -0.55 3.03 0.26 0.64 -4.23 -1.26 -1.07 115.64 112.46 3mhg s THR 226 Ca -0.01 0.33 -0.05 0.00 -1.18 0.00 0.00 61.69 60.79 3mhg s THR 226 Cb -0.05 -3.23 0.24 0.00 1.34 0.00 0.00 72.50 70.80 3mhg s THR 226 CO 0.00 -0.44 1.92 0.11 -0.54 0.00 0.00 174.62 175.67 3mhg h LYS 227 N -0.91 1.20 -0.88 3.99 1.57 -1.95 -1.47 116.57 118.12 3mhg h LYS 227 Ca -0.46 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.19 3mhg h LYS 227 Cb 1.27 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 3mhg h LYS 227 CO 0.63 0.83 0.45 1.49 -0.57 0.00 0.00 179.45 182.28 3mhg h GLU 228 N 1.22 1.25 -0.47 3.15 4.57 -1.97 0.15 114.58 122.48 3mhg h GLU 228 Ca 0.32 -0.17 -0.11 0.00 -1.18 0.00 0.00 59.36 58.22 3mhg h GLU 228 Cb -0.07 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.27 3mhg h GLU 228 CO -0.06 0.94 -0.14 0.93 -1.18 0.00 0.00 179.01 179.49 3mhg h GLU 229 N 1.25 0.93 -0.08 1.92 5.08 -1.82 -1.72 114.58 120.14 3mhg h GLU 229 Ca 0.31 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3mhg h GLU 229 Cb 0.08 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3mhg h GLU 229 CO -0.04 1.03 0.04 0.00 -1.00 0.00 0.00 179.01 179.04 3mhg h ALA 230 N 0.87 0.10 -0.93 3.43 0.00 -0.92 -2.65 119.26 119.17 3mhg h ALA 230 Ca 0.12 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3mhg h ALA 230 Cb 0.70 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 3mhg h ALA 230 CO 0.05 -0.38 0.56 0.00 0.00 0.00 0.00 179.25 179.49 3mhg h ALA 231 N 0.97 1.35 -0.19 0.00 0.00 -0.61 -1.52 119.26 119.26 3mhg h ALA 231 Ca 0.03 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3mhg h ALA 231 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3mhg h ALA 231 CO -0.00 0.20 -0.14 0.37 0.00 0.00 0.00 179.25 179.68 3mhg h GLN 232 N 0.93 0.31 -0.39 0.00 5.75 -1.09 -1.93 115.11 118.69 3mhg h GLN 232 Ca 0.45 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.79 3mhg h GLN 232 Cb 0.39 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 3mhg h GLN 232 CO -0.25 0.46 -0.05 0.00 -2.65 0.00 0.00 178.83 176.34 3mhg h ALA 233 N 1.57 1.17 -0.33 3.38 0.00 -0.93 0.36 119.26 124.47 3mhg h ALA 233 Ca 0.06 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 3mhg h ALA 233 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3mhg h ALA 233 CO 0.03 0.53 -0.38 0.74 0.00 0.00 0.00 179.25 180.16 3mhg h PHE 234 N 0.61 0.93 -0.46 0.00 0.04 -1.11 -1.42 116.94 115.53 3mhg h PHE 234 Ca 0.12 -0.27 -0.12 0.00 2.80 0.00 0.00 57.97 60.50 3mhg h PHE 234 Cb 0.46 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 3mhg h PHE 234 CO 0.02 1.04 -0.18 0.00 -0.60 0.00 0.00 178.31 178.59 3mhg h ARG 235 N 0.64 0.91 -0.87 1.51 3.08 -1.03 -1.26 114.38 117.36 3mhg h ARG 235 Ca 0.06 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3mhg h ARG 235 Cb 0.94 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.90 3mhg h ARG 235 CO 0.09 1.01 0.55 -0.44 -1.07 0.00 0.00 179.97 180.11 3mhg h ASP 236 N 0.79 1.02 -0.44 7.04 3.32 -0.84 -1.05 116.42 126.27 3mhg h ASP 236 Ca 0.11 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3mhg h ASP 236 Cb 0.73 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 3mhg h ASP 236 CO 0.06 0.76 0.19 -0.61 -1.72 0.00 0.00 179.24 177.92 3mhg h GLN 237 N 1.19 0.65 -0.59 3.56 4.15 -0.78 -2.44 115.11 120.86 3mhg h GLN 237 Ca 0.32 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.62 3mhg h GLN 237 Cb -0.10 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.45 3mhg h GLN 237 CO -0.06 0.58 0.34 1.49 -1.93 0.00 0.00 178.83 179.24 3mhg h GLU 238 N 0.57 0.80 0.00 1.69 4.57 -0.77 -1.76 114.58 119.68 3mhg h GLU 238 Ca 0.15 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3mhg h GLU 238 Cb 0.16 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3mhg h GLU 238 CO -0.01 0.58 0.00 0.00 -1.18 0.00 0.00 179.01 178.39 3mhg n ALA 239 N -2.45 2.51 0.38 2.92 0.00 -0.44 -3.58 120.51 119.85 3mhg n ALA 239 Ca 0.06 -0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.45 3mhg n ALA 239 Cb 0.09 -1.48 0.12 0.00 0.00 0.00 0.00 19.45 18.18 3mhg n ALA 239 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3mhg h SER 240 N 0.00 0.00 -5.01 0.00 0.02 -0.86 -3.48 113.55 104.22 3mhg h SER 240 Ca 0.00 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.74 3mhg h SER 240 Cb 0.15 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.50 3mhg h SER 240 CO 0.00 0.06 -0.14 0.28 -1.14 0.00 0.00 176.83 175.88 3mhg s THR 241 N -3.24 0.05 -1.33 -2.27 -1.32 -1.23 -3.95 115.64 102.35 3mhg s THR 241 Ca 0.04 -0.42 0.13 0.00 -1.21 0.00 0.00 61.69 60.23 3mhg s THR 241 Cb 0.11 -0.82 0.26 0.00 -1.51 0.00 0.00 72.50 70.54 3mhg s THR 241 CO 0.74 -0.23 1.15 -0.67 -2.21 0.00 0.00 174.62 173.39 3mhg n ASP 242 N 0.87 2.70 -4.84 8.08 2.03 -1.26 -4.93 116.55 119.19 3mhg n ASP 242 Ca -0.20 -1.82 -0.32 0.00 0.52 0.00 0.00 54.79 52.98 3mhg n ASP 242 Cb 0.58 -0.16 -0.03 0.00 -0.72 0.00 0.00 41.12 40.79 3mhg n ASP 242 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3mhg s LEU 243 N -1.04 3.57 0.40 -2.67 1.43 -1.26 -5.02 118.68 114.09 3mhg s LEU 243 Ca 0.23 1.56 -0.27 0.00 -1.03 0.00 0.00 54.13 54.61 3mhg s LEU 243 Cb 0.13 -4.50 -0.10 0.00 0.03 0.00 0.00 46.19 41.74 3mhg s LEU 243 CO 0.18 -0.64 1.48 -2.65 0.23 0.00 0.00 176.35 174.94 3mhg n PRO 244 N -1.75 2.56 -3.92 1.29 -0.02 -1.26 -4.90 135.00 127.00 3mhg n PRO 244 Ca 0.07 0.90 -0.10 0.00 -2.02 0.00 0.00 63.50 62.35 3mhg n PRO 244 Cb 0.54 -2.67 -0.11 0.00 -0.02 0.00 0.00 33.50 31.24 3mhg n PRO 244 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3mhg s TYR 245 N -1.14 0.13 0.09 6.00 -0.85 -1.26 -1.44 117.35 118.88 3mhg s TYR 245 Ca 0.55 -0.28 0.03 0.00 -0.52 0.00 0.00 57.07 56.86 3mhg s TYR 245 Cb -0.47 -0.11 -0.03 0.00 0.38 0.00 0.00 41.96 41.73 3mhg s TYR 245 CO 0.62 -0.20 -0.10 0.96 -1.52 0.00 0.00 175.55 175.31 3mhg s ILE 246 N -1.20 0.88 -0.03 -3.49 -4.36 0.32 -0.62 121.20 112.71 3mhg s ILE 246 Ca -0.13 -1.56 -0.11 0.00 -0.26 0.00 0.00 60.65 58.59 3mhg s ILE 246 Cb -0.08 -1.26 -0.05 0.00 1.25 0.00 0.00 42.46 42.32 3mhg s ILE 246 CO 0.00 -0.53 0.31 -0.31 0.24 0.00 0.00 174.94 174.64 3mhg s TYR 247 N -2.30 3.65 0.25 1.37 2.02 -0.84 -0.90 117.35 120.60 3mhg s TYR 247 Ca 0.03 0.77 -0.04 0.00 -0.37 0.00 0.00 57.07 57.46 3mhg s TYR 247 Cb -0.04 -2.12 -0.05 0.00 -0.40 0.00 0.00 41.96 39.35 3mhg s TYR 247 CO -0.00 0.66 0.49 -0.48 -1.57 0.00 0.00 175.55 174.64 3mhg s LEU 248 N -1.26 4.13 0.16 -1.29 0.05 -0.65 -1.55 118.68 118.28 3mhg s LEU 248 Ca 0.23 0.61 0.14 0.00 0.05 0.00 0.00 54.13 55.15 3mhg s LEU 248 Cb -0.14 -3.40 -0.07 0.00 -2.05 0.00 0.00 46.19 40.52 3mhg s LEU 248 CO 0.11 -0.12 1.18 0.77 -0.55 0.00 0.00 176.35 177.75 3mhg h SER 249 N 1.91 0.00 -0.78 1.48 4.64 -1.92 -3.43 113.55 115.45 3mhg h SER 249 Ca -0.48 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.51 3mhg h SER 249 Cb 1.19 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.14 3mhg h SER 249 CO 0.67 0.67 -0.30 0.00 -0.87 0.00 0.00 176.83 177.00 3mhg n ALA 250 N -2.32 -0.25 -1.24 5.18 0.00 -1.26 -2.71 120.51 117.91 3mhg n ALA 250 Ca -0.03 0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.59 3mhg n ALA 250 Cb 0.83 -1.76 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 3mhg n ALA 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mhg n GLY 251 N -0.80 0.98 3.59 0.00 0.00 -1.26 -5.03 105.19 102.67 3mhg n GLY 251 Ca -0.16 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 3mhg n GLY 251 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mhg s VAL 252 N -2.19 1.85 0.66 1.61 -7.23 -1.10 -4.76 120.40 109.24 3mhg s VAL 252 Ca 0.00 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 60.01 3mhg s VAL 252 Cb 0.00 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.57 3mhg s VAL 252 CO 0.00 0.00 1.14 -0.94 -0.31 0.00 0.00 175.10 174.99 3mhg s SER 253 N -3.35 4.92 0.31 4.85 1.04 -1.26 -4.15 113.70 116.06 3mhg s SER 253 Ca 0.68 2.13 0.02 0.00 0.48 0.00 0.00 55.95 59.25 3mhg s SER 253 Cb -0.17 -2.57 0.58 0.00 0.10 0.00 0.00 66.02 63.96 3mhg s SER 253 CO 0.59 -1.76 1.90 0.00 0.98 0.00 0.00 173.24 174.94 3mhg h ALA 254 N 0.09 1.56 -0.13 5.32 0.00 -1.94 -1.58 119.26 122.59 3mhg h ALA 254 Ca -0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3mhg h ALA 254 Cb 1.26 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3mhg h ALA 254 CO 0.53 0.27 0.01 -0.22 0.00 0.00 0.00 179.25 179.85 3mhg h LYS 255 N 0.97 0.21 -0.71 0.00 1.63 -1.91 -1.55 116.57 115.21 3mhg h LYS 255 Ca 0.41 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 60.10 3mhg h LYS 255 Cb 0.31 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.88 3mhg h LYS 255 CO -0.17 0.42 0.25 1.25 -3.45 0.00 0.00 179.45 177.75 3mhg h LEU 256 N -0.03 1.02 -0.31 5.20 5.85 -1.84 -0.22 115.31 124.99 3mhg h LEU 256 Ca 0.04 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.57 3mhg h LEU 256 Cb 0.31 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3mhg h LEU 256 CO 0.00 0.94 0.20 0.15 -0.34 0.00 0.00 178.44 179.39 3mhg h PHE 257 N 1.04 0.37 -0.11 1.25 3.57 -1.24 0.12 116.94 121.93 3mhg h PHE 257 Ca 0.23 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.77 3mhg h PHE 257 Cb 0.27 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3mhg h PHE 257 CO 0.02 0.23 -0.05 1.96 -2.23 0.00 0.00 178.31 178.24 3mhg h GLN 258 N 0.40 -0.04 -0.07 1.11 4.20 -0.89 -1.42 115.11 118.40 3mhg h GLN 258 Ca 0.11 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 3mhg h GLN 258 Cb -0.03 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3mhg h GLN 258 CO -0.03 -0.03 -0.10 -0.44 -0.67 0.00 0.00 178.83 177.56 3mhg h ASP 259 N -0.04 0.09 -0.41 1.46 3.32 -0.77 -2.42 116.42 117.65 3mhg h ASP 259 Ca 0.06 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3mhg h ASP 259 Cb 0.14 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3mhg h ASP 259 CO -0.14 0.21 -0.01 0.74 -1.72 0.00 0.00 179.24 178.31 3mhg h THR 260 N 0.10 1.26 -0.63 0.35 2.02 -0.12 -1.60 112.91 114.29 3mhg h THR 260 Ca 0.02 -1.04 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 3mhg h THR 260 Cb 0.24 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3mhg h THR 260 CO 0.01 0.35 0.29 -0.07 0.37 0.00 0.00 175.52 176.48 3mhg h LEU 261 N 0.55 0.84 -0.46 2.58 3.38 -0.86 0.28 115.31 121.62 3mhg h LEU 261 Ca 0.11 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3mhg h LEU 261 Cb 0.50 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3mhg h LEU 261 CO 0.02 0.74 0.25 0.58 0.09 0.00 0.00 178.44 180.12 3mhg h VAL 262 N 0.87 0.99 -0.70 1.22 2.07 -1.36 -0.98 116.25 118.37 3mhg h VAL 262 Ca 0.22 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 3mhg h VAL 262 Cb 0.14 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3mhg h VAL 262 CO -0.03 0.09 0.18 0.15 0.02 0.00 0.00 177.57 177.99 3mhg h PHE 263 N 0.49 1.16 -0.04 1.57 3.57 -0.72 -1.38 116.94 121.59 3mhg h PHE 263 Ca 0.20 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.57 3mhg h PHE 263 Cb 0.08 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 3mhg h PHE 263 CO -0.09 0.94 -0.01 0.00 -2.23 0.00 0.00 178.31 176.92 3mhg h ALA 264 N 1.09 0.03 -0.41 2.41 0.00 0.03 -0.63 119.26 121.77 3mhg h ALA 264 Ca 0.22 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3mhg h ALA 264 Cb 0.35 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3mhg h ALA 264 CO 0.00 -0.49 0.26 0.00 0.00 0.00 0.00 179.25 179.02 3mhg h ALA 265 N 1.04 0.52 -0.43 0.00 0.00 -1.00 -1.44 119.26 117.95 3mhg h ALA 265 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mhg h ALA 265 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3mhg h ALA 265 CO -0.04 -0.05 0.25 0.93 0.00 0.00 0.00 179.25 180.34 3mhg h GLU 266 N 0.53 0.58 0.00 0.00 5.08 -1.04 -2.46 114.58 117.26 3mhg h GLU 266 Ca 0.15 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3mhg h GLU 266 Cb -0.04 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3mhg h GLU 266 CO -0.05 0.41 0.00 0.77 -1.00 0.00 0.00 179.01 179.14 3mhg h SER 267 N 0.59 0.00 0.00 1.42 0.02 -0.44 -3.47 113.55 111.68 3mhg h SER 267 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3mhg h SER 267 Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3mhg h SER 267 CO -0.03 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.27 3mhg n GLY 268 N 0.86 1.31 3.67 -3.77 0.00 -0.91 -4.54 105.19 101.81 3mhg n GLY 268 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3mhg n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhg s ALA 269 N -2.00 3.57 -0.95 4.61 0.00 -0.60 -4.84 121.76 121.54 3mhg s ALA 269 Ca 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 51.96 52.36 3mhg s ALA 269 Cb 0.00 -3.54 0.27 0.00 0.00 0.00 0.00 23.12 19.86 3mhg s ALA 269 CO 0.00 -0.91 2.07 1.63 0.00 0.00 0.00 175.76 178.56 3mhg n LYS 270 N 5.80 4.15 -1.73 0.00 4.76 -1.26 -4.28 118.16 125.59 3mhg n LYS 270 Ca 0.12 -3.89 -0.33 0.00 -2.87 0.00 0.00 58.31 51.34 3mhg n LYS 270 Cb 0.46 -2.39 0.05 0.00 -1.84 0.00 0.00 35.03 31.31 3mhg n LYS 270 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 3mhg s PHE 271 N -3.53 2.52 -0.54 2.13 -0.12 -1.26 -4.64 117.98 112.54 3mhg s PHE 271 Ca 0.47 1.56 0.15 0.00 -0.05 0.00 0.00 56.93 59.07 3mhg s PHE 271 Cb 0.29 -3.23 0.54 0.00 -0.63 0.00 0.00 43.02 39.99 3mhg s PHE 271 CO -0.23 -1.85 1.45 0.09 -0.05 0.00 0.00 175.22 174.64 3mhg n ASN 272 N -2.39 4.00 0.00 1.98 4.13 0.21 -0.66 115.26 122.53 3mhg n ASN 272 Ca 0.11 -2.66 0.00 0.00 1.68 0.00 0.00 54.58 53.71 3mhg n ASN 272 Cb 0.52 -0.49 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 3mhg n ASN 272 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mhg n GLY 273 N 0.15 0.83 3.14 7.41 0.00 -1.26 -1.11 105.19 114.35 3mhg n GLY 273 Ca 0.20 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 3mhg n GLY 273 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mhg s VAL 274 N -2.50 0.15 -0.45 1.61 -7.23 0.52 -1.98 120.40 110.52 3mhg s VAL 274 Ca 0.00 -1.22 0.03 0.00 -1.81 0.00 0.00 61.98 58.98 3mhg s VAL 274 Cb 0.00 -1.11 0.12 0.00 0.56 0.00 0.00 36.38 35.95 3mhg s VAL 274 CO 0.00 -0.67 0.19 -0.76 -0.31 0.00 0.00 175.10 173.54 3mhg s LEU 275 N -2.44 4.59 -0.25 1.32 1.43 -0.59 -2.02 118.68 120.72 3mhg s LEU 275 Ca -0.00 -2.63 -0.06 0.00 -1.03 0.00 0.00 54.13 50.40 3mhg s LEU 275 Cb 0.02 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 3mhg s LEU 275 CO -0.07 -0.31 0.04 0.00 0.23 0.00 0.00 176.35 176.24 3mhg n GLY 277 N 4.88 0.10 0.31 0.00 0.00 -1.26 -1.40 105.19 107.83 3mhg n GLY 277 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3mhg n GLY 277 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3mhg h ARG 278 N 0.00 0.88 -0.78 1.61 3.08 -1.95 0.43 114.38 117.65 3mhg h ARG 278 Ca 0.00 -0.05 0.23 0.00 0.07 0.00 0.00 59.98 60.22 3mhg h ARG 278 Cb 0.00 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 3mhg h ARG 278 CO 0.00 0.58 0.62 0.00 -1.07 0.00 0.00 179.97 180.10 3mhg h ALA 279 N 1.39 2.67 0.00 0.04 0.00 -1.86 -0.20 119.26 121.30 3mhg h ALA 279 Ca 0.36 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.06 3mhg h ALA 279 Cb 0.18 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3mhg h ALA 279 CO -0.18 -1.02 -1.05 1.15 0.00 0.00 0.00 179.25 178.15 3mhg h THR 280 N 0.00 0.79 -0.13 0.00 2.02 -1.22 -3.34 112.91 111.04 3mhg h THR 280 Ca 0.37 -1.97 0.00 0.00 0.77 0.00 0.00 66.41 65.59 3mhg h THR 280 Cb 1.61 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.88 3mhg h THR 280 CO -0.00 0.27 0.00 -2.67 0.37 0.00 0.00 175.52 173.48 3mhg n TRP 281 N -4.48 0.15 -0.21 3.16 4.27 -0.97 -4.68 117.44 114.68 3mhg n TRP 281 Ca -0.26 -0.14 0.01 0.00 -3.89 0.00 0.00 57.50 53.23 3mhg n TRP 281 Cb 0.59 -0.01 0.11 0.00 -1.36 0.00 0.00 31.31 30.64 3mhg n TRP 281 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3mhg h ALA 282 N 2.57 0.66 0.00 -1.67 0.00 -1.27 -1.05 119.26 118.49 3mhg h ALA 282 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3mhg h ALA 282 Cb 0.62 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3mhg h ALA 282 CO 0.00 -0.38 0.00 0.78 0.00 0.00 0.00 179.25 179.65 3mhg h GLY 283 N 0.15 0.00 2.00 0.00 0.00 -1.85 -2.65 103.07 100.73 3mhg h GLY 283 Ca 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.58 3mhg h GLY 283 CO -0.51 0.00 -0.38 1.48 0.00 0.00 0.00 176.54 177.13 3mhg h SER 284 N 0.00 0.00 0.47 0.19 4.64 -1.55 -3.29 113.55 114.01 3mhg h SER 284 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3mhg h SER 284 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3mhg h SER 284 CO 0.00 0.38 -0.23 0.58 -0.87 0.00 0.00 176.83 176.69 3mhg h VAL 285 N 0.00 0.50 -0.52 0.95 2.07 -1.62 0.18 116.25 117.81 3mhg h VAL 285 Ca -0.00 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.30 3mhg h VAL 285 Cb 0.92 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 3mhg h VAL 285 CO 0.05 0.04 0.25 0.50 0.02 0.00 0.00 177.57 178.43 3mhg h LYS 286 N -0.80 0.46 -0.44 1.57 3.64 -1.78 -1.00 116.57 118.23 3mhg h LYS 286 Ca -0.06 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3mhg h LYS 286 Cb 0.56 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 3mhg h LYS 286 CO 0.11 0.31 0.28 0.28 -2.27 0.00 0.00 179.45 178.15 3mhg h VAL 287 N 0.48 1.08 -0.69 2.00 2.07 -1.60 -0.74 116.25 118.85 3mhg h VAL 287 Ca 0.24 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.57 3mhg h VAL 287 Cb 0.18 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3mhg h VAL 287 CO -0.19 0.10 0.46 0.22 0.02 0.00 0.00 177.57 178.18 3mhg h TYR 288 N 0.57 0.88 -0.10 1.57 3.20 0.11 0.29 116.97 123.48 3mhg h TYR 288 Ca 0.17 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.83 3mhg h TYR 288 Cb -0.03 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 37.95 3mhg h TYR 288 CO -0.06 0.56 -0.82 0.82 -1.64 0.00 0.00 178.16 177.02 3mhg h ILE 289 N 0.94 1.29 0.08 1.81 1.08 -0.98 -2.16 117.51 119.58 3mhg h ILE 289 Ca 0.25 -2.04 -0.27 0.00 -0.39 0.00 0.00 64.86 62.42 3mhg h ILE 289 Cb -0.10 2.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.78 3mhg h ILE 289 CO -0.05 0.64 -1.31 -0.33 -0.69 0.00 0.00 178.15 176.40 3mhg h GLU 290 N 0.43 0.17 0.00 2.37 5.08 -1.07 -3.41 114.58 118.15 3mhg h GLU 290 Ca -0.07 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3mhg h GLU 290 Cb 1.46 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.82 3mhg h GLU 290 CO 0.17 1.06 -0.86 0.39 -1.00 0.00 0.00 179.01 178.77 3mhg n GLU 291 N -3.41 0.99 0.00 2.33 1.02 0.08 -5.08 120.64 116.56 3mhg n GLU 291 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 3mhg n GLU 291 Cb 1.01 -0.93 0.00 0.00 -0.02 0.00 0.00 31.44 31.50 3mhg n GLU 291 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mhg n GLY 292 N 2.29 1.06 0.23 0.62 0.00 -0.81 -4.58 105.19 104.00 3mhg n GLY 292 Ca 0.00 -2.14 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 3mhg n GLY 292 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mhg h PRO 293 N 0.00 -0.39 -0.62 1.61 0.13 -1.90 -1.74 132.00 129.09 3mhg h PRO 293 Ca 0.00 0.03 0.05 0.00 -0.87 0.00 0.00 66.00 65.21 3mhg h PRO 293 Cb 0.00 0.09 -0.05 0.00 0.13 0.00 0.00 31.00 31.17 3mhg h PRO 293 CO 0.00 -0.26 0.34 0.37 -0.23 0.00 0.00 178.00 178.22 3mhg h GLN 294 N -0.41 0.62 -0.38 0.86 5.75 -1.97 0.27 115.11 119.85 3mhg h GLN 294 Ca 0.01 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3mhg h GLN 294 Cb 0.39 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 3mhg h GLN 294 CO -0.07 0.41 0.20 0.00 -2.65 0.00 0.00 178.83 176.72 3mhg h ALA 295 N 1.32 1.64 -0.20 3.38 0.00 -1.78 -1.11 119.26 122.52 3mhg h ALA 295 Ca 0.28 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3mhg h ALA 295 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3mhg h ALA 295 CO -0.17 0.30 -0.03 0.00 0.00 0.00 0.00 179.25 179.35 3mhg h ALA 296 N 1.70 0.27 -0.81 0.00 0.00 0.31 -1.17 119.26 119.56 3mhg h ALA 296 Ca 0.14 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.92 3mhg h ALA 296 Cb 0.03 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 3mhg h ALA 296 CO -0.02 0.02 0.43 0.00 0.00 0.00 0.00 179.25 179.69 3mhg h ARG 297 N 0.10 0.68 -0.48 0.00 3.08 -0.13 0.01 114.38 117.64 3mhg h ARG 297 Ca 0.05 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 3mhg h ARG 297 Cb 0.46 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3mhg h ARG 297 CO 0.02 0.45 -0.14 1.49 -1.07 0.00 0.00 179.97 180.72 3mhg h GLU 298 N 0.70 0.90 -0.34 0.04 4.57 -0.99 0.58 114.58 120.04 3mhg h GLU 298 Ca 0.41 -0.33 -0.03 0.00 -1.18 0.00 0.00 59.36 58.23 3mhg h GLU 298 Cb 0.45 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 3mhg h GLU 298 CO -0.29 0.97 0.11 2.35 -1.18 0.00 0.00 179.01 180.98 3mhg h TRP 299 N 0.80 0.54 -0.60 0.92 7.01 -0.51 -2.62 115.95 121.49 3mhg h TRP 299 Ca 0.12 -0.05 -0.04 0.00 2.11 0.00 0.00 58.89 61.03 3mhg h TRP 299 Cb 0.66 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.54 3mhg h TRP 299 CO 0.04 0.53 0.22 -0.07 -2.79 0.00 0.00 178.44 176.37 3mhg h LEU 300 N 0.39 0.80 -0.28 0.65 3.38 -0.67 0.25 115.31 119.84 3mhg h LEU 300 Ca 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mhg h LEU 300 Cb 0.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3mhg h LEU 300 CO -0.00 0.73 0.00 0.54 0.09 0.00 0.00 178.44 179.80 3mhg n ARG 301 N -4.31 0.17 0.00 1.13 1.74 0.17 -0.74 116.66 114.82 3mhg n ARG 301 Ca 0.05 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 3mhg n ARG 301 Cb 0.18 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 3mhg n ARG 301 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3mhg n THR 302 N -2.07 0.00 -0.12 0.55 -2.24 -0.82 -4.56 114.28 105.01 3mhg n THR 302 Ca 0.04 0.04 -0.12 0.00 -2.27 0.00 0.00 64.05 61.74 3mhg n THR 302 Cb 0.31 -0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 67.73 3mhg n THR 302 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3mhg h GLU 303 N 0.00 0.74 -0.23 -0.78 4.39 -0.80 -1.37 114.58 116.53 3mhg h GLU 303 Ca 0.00 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.39 3mhg h GLU 303 Cb 0.00 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3mhg h GLU 303 CO 0.00 0.91 0.14 0.78 -1.16 0.00 0.00 179.01 179.68 3mhg h GLY 304 N 0.52 0.33 1.00 -3.84 0.00 -1.15 -1.19 103.07 98.74 3mhg h GLY 304 Ca 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 3mhg h GLY 304 CO 0.05 0.13 0.40 -2.75 0.00 0.00 0.00 176.54 174.37 3mhg h PHE 305 N 0.28 0.85 -0.56 5.60 3.57 -0.91 -1.48 116.94 124.30 3mhg h PHE 305 Ca 0.08 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.62 3mhg h PHE 305 Cb 0.01 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.42 3mhg h PHE 305 CO -0.05 0.57 0.32 -0.22 -2.23 0.00 0.00 178.31 176.70 3mhg h LYS 306 N 0.89 0.61 -0.21 1.11 3.64 -0.97 0.49 116.57 122.12 3mhg h LYS 306 Ca 0.24 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3mhg h LYS 306 Cb -0.04 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 3mhg h LYS 306 CO -0.05 0.40 0.14 -0.91 -2.27 0.00 0.00 179.45 176.76 3mhg h ASN 307 N 0.63 0.25 0.73 4.20 2.35 -0.82 -1.69 115.58 121.23 3mhg h ASN 307 Ca 0.24 -0.02 -0.23 0.00 -0.55 0.00 0.00 56.30 55.73 3mhg h ASN 307 Cb 0.08 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3mhg h ASN 307 CO -0.13 0.20 -1.06 -0.29 -1.65 0.00 0.00 177.43 174.50 3mhg h ILE 308 N 0.28 1.57 -0.33 2.81 2.10 -0.93 -1.99 117.51 121.02 3mhg h ILE 308 Ca 0.08 -3.05 -0.04 0.00 1.08 0.00 0.00 64.86 62.94 3mhg h ILE 308 Cb -0.01 2.77 -0.01 0.00 -1.09 0.00 0.00 36.82 38.48 3mhg h ILE 308 CO -0.02 0.88 0.06 -0.78 -1.08 0.00 0.00 178.15 177.22 3mhg h ASP 309 N 0.06 0.52 0.16 2.19 3.58 -0.02 0.16 116.42 123.08 3mhg h ASP 309 Ca -0.07 -0.25 -0.11 0.00 0.42 0.00 0.00 57.03 57.03 3mhg h ASP 309 Cb 1.77 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.67 3mhg h ASP 309 CO 0.16 0.63 -0.39 -0.33 -2.88 0.00 0.00 179.24 176.44 3mhg h GLU 310 N 0.38 0.30 -0.24 0.28 5.08 -1.32 -1.64 114.58 117.42 3mhg h GLU 310 Ca 0.10 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3mhg h GLU 310 Cb 0.33 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3mhg h GLU 310 CO 0.00 0.65 0.12 1.25 -1.00 0.00 0.00 179.01 180.03 3mhg h LEU 311 N 0.26 0.31 -1.12 1.33 5.85 -1.16 -2.29 115.31 118.49 3mhg h LEU 311 Ca 0.03 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.65 3mhg h LEU 311 Cb 0.80 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 3mhg h LEU 311 CO 0.06 0.34 0.60 0.78 -0.34 0.00 0.00 178.44 179.88 3mhg h ASN 312 N 0.26 1.02 -0.67 1.25 2.35 -0.59 0.61 115.58 119.81 3mhg h ASN 312 Ca 0.08 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 3mhg h ASN 312 Cb 0.11 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 3mhg h ASN 312 CO -0.01 0.72 0.11 0.11 -1.65 0.00 0.00 177.43 176.71 3mhg h LYS 313 N 1.19 1.10 -0.46 0.81 1.57 -1.16 -1.20 116.57 118.42 3mhg h LYS 313 Ca 0.34 -0.29 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 3mhg h LYS 313 Cb -0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 3mhg h LYS 313 CO -0.09 1.01 0.03 0.28 -0.57 0.00 0.00 179.45 180.11 3mhg h VAL 314 N 1.02 1.26 -0.99 0.50 2.07 -0.83 -2.96 116.25 116.32 3mhg h VAL 314 Ca 0.20 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.78 3mhg h VAL 314 Cb 0.44 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 3mhg h VAL 314 CO 0.01 0.35 0.65 -0.07 0.02 0.00 0.00 177.57 178.53 3mhg h LEU 315 N 0.65 1.06 -1.98 2.57 3.38 -0.64 -1.50 115.31 118.85 3mhg h LEU 315 Ca 0.13 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.14 3mhg h LEU 315 Cb 0.45 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3mhg h LEU 315 CO 0.02 0.70 0.10 0.44 0.09 0.00 0.00 178.44 179.79 3mhg h ASP 316 N 1.21 0.02 -0.18 -0.43 5.19 -1.05 -1.44 116.42 119.73 3mhg h ASP 316 Ca 0.41 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.82 3mhg h ASP 316 Cb 0.09 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.59 3mhg h ASP 316 CO -0.15 0.01 0.00 2.29 -3.12 0.00 0.00 179.24 178.28 3mhg n LYS 317 N -4.50 1.67 0.00 3.56 2.85 -0.71 -4.73 118.16 116.30 3mhg n LYS 317 Ca 0.00 -1.66 0.00 0.00 -1.05 0.00 0.00 58.31 55.60 3mhg n LYS 317 Cb 0.21 -1.29 0.00 0.00 -0.65 0.00 0.00 35.03 33.30 3mhg n LYS 317 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3mhg n THR 318 N 0.77 0.00 -2.45 0.58 -2.24 -0.65 -5.07 114.28 105.23 3mhg n THR 318 Ca 0.11 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.55 3mhg n THR 318 Cb 0.39 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 3mhg n THR 318 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mhg s ALA 319 N -1.74 2.86 0.03 6.98 0.00 -0.58 -4.76 121.76 124.54 3mhg s ALA 319 Ca 0.00 0.55 0.04 0.00 0.00 0.00 0.00 51.96 52.55 3mhg s ALA 319 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3mhg s ALA 319 CO 0.00 -0.39 -0.05 -1.12 0.00 0.00 0.00 175.76 174.20 3mhg s SER 320 N -2.17 4.76 0.22 0.00 0.01 0.16 -4.96 113.70 111.72 3mhg s SER 320 Ca 0.66 -0.16 -0.30 0.00 1.31 0.00 0.00 55.95 57.47 3mhg s SER 320 Cb -0.16 -1.12 -0.09 0.00 0.21 0.00 0.00 66.02 64.87 3mhg s SER 320 CO 0.23 0.25 1.07 -2.16 0.41 0.00 0.00 173.24 173.04 3mhg s PRO 321 N -1.72 4.65 0.34 12.44 0.04 -1.26 -4.05 135.00 145.44 3mhg s PRO 321 Ca 0.20 1.71 0.26 0.00 0.04 0.00 0.00 61.00 63.22 3mhg s PRO 321 Cb -0.11 -3.25 0.93 0.00 0.04 0.00 0.00 34.50 32.11 3mhg s PRO 321 CO 0.11 0.19 1.78 0.11 0.04 0.00 0.00 177.00 179.23 3mhg h TRP 322 N 4.48 0.00 0.00 0.56 5.08 -0.74 -2.74 115.95 122.59 3mhg h TRP 322 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.52 3mhg h TRP 322 Cb 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 3mhg h TRP 322 CO 0.61 0.00 0.00 0.25 -1.28 0.00 0.00 178.44 178.02 3mhg n THR 323 N -2.57 0.00 -0.40 0.12 -2.24 -1.26 -5.02 114.28 102.91 3mhg n THR 323 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3mhg n THR 323 Cb 0.35 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3mhg n THR 323 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88