#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mx6 s SER 0 N 0.00 -0.10 0.25 1.61 1.04 -1.26 -5.15 113.70 110.09 3mx6 s SER 0 Ca 0.00 -0.66 -0.30 0.00 0.48 0.00 0.00 55.95 55.48 3mx6 s SER 0 Cb 0.00 0.50 -0.09 0.00 0.10 0.00 0.00 66.02 66.52 3mx6 s SER 0 CO 0.00 -0.96 1.27 -0.32 0.98 0.00 0.00 173.24 174.21 3mx6 s MET 1 N -3.91 4.43 -0.09 4.02 -2.45 -1.26 -4.89 119.30 115.15 3mx6 s MET 1 Ca 0.12 2.05 -0.30 0.00 -1.25 0.00 0.00 55.69 56.32 3mx6 s MET 1 Cb 0.01 -3.16 -0.02 0.00 1.25 0.00 0.00 34.83 32.92 3mx6 s MET 1 CO -0.02 -0.14 1.04 0.42 1.05 0.00 0.00 175.02 177.36 3mx6 s ILE 2 N -0.52 4.70 0.04 10.11 1.01 -1.26 -4.75 121.20 130.53 3mx6 s ILE 2 Ca 0.52 1.97 -0.30 0.00 0.00 0.00 0.00 60.65 62.84 3mx6 s ILE 2 Cb -0.37 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 3mx6 s ILE 2 CO 0.43 0.02 1.01 -0.54 0.00 0.00 0.00 174.94 175.86 3mx6 s LYS 3 N 1.95 4.57 -0.22 2.79 -0.14 -1.26 -5.03 119.74 122.40 3mx6 s LYS 3 Ca 0.50 1.48 -0.07 0.00 -1.36 0.00 0.00 55.97 56.52 3mx6 s LYS 3 Cb -0.20 -3.42 -0.03 0.00 -1.68 0.00 0.00 37.83 32.50 3mx6 s LYS 3 CO 0.19 -0.02 0.06 0.42 -0.76 0.00 0.00 175.35 175.24 3mx6 s ILE 4 N 0.75 4.40 0.16 2.17 -1.09 -1.26 -4.40 121.20 121.93 3mx6 s ILE 4 Ca 0.52 -0.15 0.06 0.00 -2.23 0.00 0.00 60.65 58.85 3mx6 s ILE 4 Cb -0.23 -3.02 -0.04 0.00 -1.58 0.00 0.00 42.46 37.59 3mx6 s ILE 4 CO 0.29 0.39 0.03 -1.00 -1.23 0.00 0.00 174.94 173.42 3mx6 s HIS 5 N 1.12 2.94 0.51 3.97 3.76 -0.02 -5.01 115.29 122.56 3mx6 s HIS 5 Ca 0.04 -0.09 0.06 0.00 -0.15 0.00 0.00 55.06 54.92 3mx6 s HIS 5 Cb -0.14 -1.43 0.02 0.00 1.11 0.00 0.00 32.58 32.14 3mx6 s HIS 5 CO 0.03 0.51 0.40 0.95 -0.85 0.00 0.00 174.74 175.78 3mx6 s THR 6 N -1.68 1.94 0.40 1.30 -4.23 -1.26 -4.38 115.64 107.73 3mx6 s THR 6 Ca 0.28 -1.45 0.19 0.00 -1.18 0.00 0.00 61.69 59.53 3mx6 s THR 6 Cb -0.10 -2.39 0.39 0.00 1.34 0.00 0.00 72.50 71.75 3mx6 s THR 6 CO 0.20 0.00 1.78 -0.08 -0.54 0.00 0.00 174.62 175.98 3mx6 h GLU 7 N 0.83 0.38 -0.53 3.99 4.57 -2.00 -0.16 114.58 121.66 3mx6 h GLU 7 Ca -0.38 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 57.80 3mx6 h GLU 7 Cb 1.29 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.77 3mx6 h GLU 7 CO 0.57 0.25 0.35 1.57 -1.18 0.00 0.00 179.01 180.58 3mx6 h LYS 8 N 0.39 0.63 0.02 1.92 2.10 -2.01 -1.39 116.57 118.23 3mx6 h LYS 8 Ca 0.58 -0.04 -0.20 0.00 -2.00 0.00 0.00 60.65 58.99 3mx6 h LYS 8 Cb 1.48 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 32.65 3mx6 h LYS 8 CO -0.28 0.42 -0.95 -0.44 -2.00 0.00 0.00 179.45 176.20 3mx6 h ASP 9 N 0.65 0.10 -0.91 7.07 3.32 -1.42 -3.14 116.42 122.09 3mx6 h ASP 9 Ca 0.21 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3mx6 h ASP 9 Cb 0.03 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3mx6 h ASP 9 CO -0.05 0.99 0.52 -0.26 -1.72 0.00 0.00 179.24 178.72 3mx6 h PHE 10 N 0.03 1.22 -0.37 4.55 -1.00 -1.00 -0.58 116.94 119.79 3mx6 h PHE 10 Ca -0.03 -0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.79 3mx6 h PHE 10 Cb 1.65 -0.40 -0.05 0.00 3.61 0.00 0.00 35.95 40.77 3mx6 h PHE 10 CO 0.01 0.83 0.08 0.82 -1.61 0.00 0.00 178.31 178.44 3mx6 h ILE 11 N 1.26 0.82 -0.52 -0.55 2.04 -1.31 0.13 117.51 119.38 3mx6 h ILE 11 Ca 0.32 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 66.04 3mx6 h ILE 11 Cb -0.01 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3mx6 h ILE 11 CO -0.06 0.04 0.01 0.11 0.00 0.00 0.00 178.15 178.25 3mx6 h LYS 12 N 0.20 0.86 -0.10 2.37 1.79 -1.41 -2.73 116.57 117.55 3mx6 h LYS 12 Ca 0.18 -0.24 -0.14 0.00 -2.18 0.00 0.00 60.65 58.26 3mx6 h LYS 12 Cb 0.20 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 3mx6 h LYS 12 CO -0.23 0.86 -0.56 0.52 -1.08 0.00 0.00 179.45 178.96 3mx6 h MET 13 N 0.80 0.30 -0.60 3.15 2.86 -0.62 -2.02 114.93 118.81 3mx6 h MET 13 Ca 0.15 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3mx6 h MET 13 Cb 0.47 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 3mx6 h MET 13 CO 0.02 0.78 0.37 0.00 1.06 0.00 0.00 176.91 179.15 3mx6 h ARG 14 N 0.23 0.72 -0.22 1.72 3.08 -0.56 0.28 114.38 119.63 3mx6 h ARG 14 Ca 0.00 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 3mx6 h ARG 14 Cb 1.06 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 3mx6 h ARG 14 CO 0.09 0.48 -0.11 0.00 -1.07 0.00 0.00 179.97 179.35 3mx6 h ALA 15 N 1.26 0.31 -0.27 0.04 0.00 -1.27 -0.46 119.26 118.87 3mx6 h ALA 15 Ca 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3mx6 h ALA 15 Cb 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3mx6 h ALA 15 CO -0.09 0.16 0.12 0.00 0.00 0.00 0.00 179.25 179.44 3mx6 h ALA 16 N 0.71 0.35 -0.85 0.00 0.00 -1.28 -2.03 119.26 116.14 3mx6 h ALA 16 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3mx6 h ALA 16 Cb 0.61 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3mx6 h ALA 16 CO 0.03 -0.08 0.41 0.78 0.00 0.00 0.00 179.25 180.39 3mx6 h GLY 17 N 0.29 1.32 0.94 0.00 0.00 -0.92 -1.71 103.07 102.99 3mx6 h GLY 17 Ca 0.09 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 3mx6 h GLY 17 CO -0.01 0.62 0.14 1.70 0.00 0.00 0.00 176.54 179.00 3mx6 h LYS 18 N 1.22 0.39 -0.96 4.80 3.64 -0.91 0.19 116.57 124.94 3mx6 h LYS 18 Ca 0.29 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3mx6 h LYS 18 Cb 0.12 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 3mx6 h LYS 18 CO -0.04 0.36 0.60 1.25 -2.27 0.00 0.00 179.45 179.35 3mx6 h LEU 19 N 0.32 1.15 -0.33 5.20 5.85 -1.18 0.29 115.31 126.61 3mx6 h LEU 19 Ca 0.10 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3mx6 h LEU 19 Cb 0.09 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3mx6 h LEU 19 CO -0.01 0.87 0.16 0.00 -0.34 0.00 0.00 178.44 179.11 3mx6 h ALA 20 N 1.33 0.42 -0.58 1.25 0.00 -0.99 -1.21 119.26 119.48 3mx6 h ALA 20 Ca 0.35 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3mx6 h ALA 20 Cb -0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3mx6 h ALA 20 CO -0.07 -0.02 0.16 0.00 0.00 0.00 0.00 179.25 179.33 3mx6 h ALA 21 N 1.01 1.20 -0.23 0.00 0.00 -0.53 -2.21 119.26 118.50 3mx6 h ALA 21 Ca 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3mx6 h ALA 21 Cb 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3mx6 h ALA 21 CO -0.01 0.55 -0.00 0.93 0.00 0.00 0.00 179.25 180.72 3mx6 h GLU 22 N 0.85 0.34 -0.46 0.00 5.08 -0.13 -0.51 114.58 119.74 3mx6 h GLU 22 Ca 0.19 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3mx6 h GLU 22 Cb 0.27 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3mx6 h GLU 22 CO -0.01 0.37 0.24 1.15 -1.00 0.00 0.00 179.01 179.76 3mx6 h THR 23 N 0.33 1.17 -0.34 1.13 2.02 -0.61 -1.13 112.91 115.48 3mx6 h THR 23 Ca 0.08 -0.46 -0.15 0.00 0.77 0.00 0.00 66.41 66.65 3mx6 h THR 23 Cb 0.23 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3mx6 h THR 23 CO 0.01 0.18 -0.38 -0.07 0.37 0.00 0.00 175.52 175.63 3mx6 h LEU 24 N 0.60 0.85 -0.28 2.58 3.38 -1.14 -1.86 115.31 119.44 3mx6 h LEU 24 Ca 0.16 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.81 3mx6 h LEU 24 Cb 0.08 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 3mx6 h LEU 24 CO -0.02 1.13 -0.12 0.44 0.09 0.00 0.00 178.44 179.96 3mx6 h ASP 25 N 0.66 -0.40 -0.80 -0.43 5.19 -0.93 -3.02 116.42 116.69 3mx6 h ASP 25 Ca 0.06 0.10 0.05 0.00 -0.62 0.00 0.00 57.03 56.62 3mx6 h ASP 25 Cb 0.94 0.23 -0.05 0.00 0.18 0.00 0.00 39.33 40.62 3mx6 h ASP 25 CO 0.09 -0.15 0.50 0.15 -3.12 0.00 0.00 179.24 176.71 3mx6 h PHE 26 N -0.07 0.93 0.00 4.55 3.57 -0.94 -2.99 116.94 121.99 3mx6 h PHE 26 Ca 0.14 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3mx6 h PHE 26 Cb 0.29 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 3mx6 h PHE 26 CO -0.31 0.49 -0.11 0.97 -2.23 0.00 0.00 178.31 177.12 3mx6 h ILE 27 N 0.94 0.26 -0.63 1.41 6.09 -1.22 -3.35 117.51 121.00 3mx6 h ILE 27 Ca 0.34 -0.91 0.12 0.00 -1.37 0.00 0.00 64.86 63.04 3mx6 h ILE 27 Cb 0.11 1.73 -0.12 0.00 0.47 0.00 0.00 36.82 39.01 3mx6 h ILE 27 CO -0.15 0.11 -0.25 0.74 -3.07 0.00 0.00 178.15 175.53 3mx6 h THR 28 N 0.00 0.25 0.00 2.19 2.02 -1.44 -0.04 112.91 115.88 3mx6 h THR 28 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3mx6 h THR 28 Cb 0.72 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3mx6 h THR 28 CO 0.01 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.37 3mx6 n ASP 29 N -5.45 0.11 -0.04 4.18 8.00 -1.26 -2.39 116.55 119.71 3mx6 n ASP 29 Ca 0.07 0.52 0.12 0.00 0.71 0.00 0.00 54.79 56.20 3mx6 n ASP 29 Cb 0.35 -0.54 0.26 0.00 -0.02 0.00 0.00 41.12 41.17 3mx6 n ASP 29 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3mx6 n HIS 30 N -1.61 0.00 -2.73 1.24 8.25 -0.03 -4.77 115.22 115.57 3mx6 n HIS 30 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.09 3mx6 n HIS 30 Cb 0.25 -0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 3mx6 n HIS 30 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3mx6 s VAL 31 N -2.93 4.08 0.07 1.59 1.01 -1.00 -4.92 120.40 118.29 3mx6 s VAL 31 Ca 0.13 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 3mx6 s VAL 31 Cb 0.18 -4.77 -0.02 0.00 0.00 0.00 0.00 36.38 31.76 3mx6 s VAL 31 CO 0.68 -1.60 0.08 -0.54 0.00 0.00 0.00 175.10 173.72 3mx6 s LYS 32 N 4.75 0.72 0.52 2.72 1.02 -1.26 -4.80 119.74 123.41 3mx6 s LYS 32 Ca 0.28 -1.08 -0.22 0.00 0.02 0.00 0.00 55.97 54.98 3mx6 s LYS 32 Cb -0.13 0.27 -0.07 0.00 -0.52 0.00 0.00 37.83 37.39 3mx6 s LYS 32 CO 0.13 -0.19 1.11 -2.30 -0.92 0.00 0.00 175.35 173.19 3mx6 n PRO 33 N 0.05 1.35 -0.89 -1.68 -0.02 -1.26 -2.70 135.00 129.85 3mx6 n PRO 33 Ca -0.15 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3mx6 n PRO 33 Cb 0.62 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3mx6 n PRO 33 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3mx6 n ASN 34 N -0.37 -0.04 -4.80 2.55 3.02 0.55 -4.95 115.26 111.21 3mx6 n ASN 34 Ca 0.11 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.27 3mx6 n ASN 34 Cb 0.44 -0.56 -0.06 0.00 -0.61 0.00 0.00 39.78 38.99 3mx6 n ASN 34 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mx6 s VAL 35 N -3.32 4.60 0.41 2.41 1.01 -1.10 -4.67 120.40 119.74 3mx6 s VAL 35 Ca 0.00 1.39 -0.05 0.00 0.00 0.00 0.00 61.98 63.32 3mx6 s VAL 35 Cb 0.00 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3mx6 s VAL 35 CO 0.00 0.53 0.70 0.42 0.00 0.00 0.00 175.10 176.74 3mx6 s THR 36 N -1.14 4.95 0.27 3.92 -4.23 -1.26 -1.09 115.64 117.06 3mx6 s THR 36 Ca 0.32 0.09 0.16 0.00 -1.18 0.00 0.00 61.69 61.07 3mx6 s THR 36 Cb -0.21 -3.83 0.09 0.00 1.34 0.00 0.00 72.50 69.90 3mx6 s THR 36 CO 0.22 -0.66 1.75 0.71 -0.54 0.00 0.00 174.62 176.10 3mx6 h THR 37 N 0.63 1.11 -0.64 3.99 1.35 -1.67 -2.50 112.91 115.18 3mx6 h THR 37 Ca -0.48 -1.55 0.05 0.00 -0.55 0.00 0.00 66.41 63.89 3mx6 h THR 37 Cb 1.20 1.88 -0.05 0.00 -1.73 0.00 0.00 68.15 69.45 3mx6 h THR 37 CO 0.63 0.41 0.36 0.78 -0.25 0.00 0.00 175.52 177.45 3mx6 h ASN 38 N 0.00 0.55 -0.92 5.36 2.35 -1.55 0.76 115.58 122.14 3mx6 h ASN 38 Ca -0.00 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3mx6 h ASN 38 Cb 0.85 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 39.08 3mx6 h ASN 38 CO 0.05 0.37 0.61 0.77 -1.65 0.00 0.00 177.43 177.58 3mx6 h SER 39 N 0.69 1.05 -0.41 5.81 4.64 -1.74 -2.50 113.55 121.09 3mx6 h SER 39 Ca 0.28 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.46 3mx6 h SER 39 Cb 0.14 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 3mx6 h SER 39 CO -0.16 0.75 -0.19 -0.07 -0.87 0.00 0.00 176.83 176.29 3mx6 h LEU 40 N 1.23 0.92 -0.62 5.97 3.38 -1.14 -1.98 115.31 123.07 3mx6 h LEU 40 Ca 0.34 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3mx6 h LEU 40 Cb -0.13 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.32 3mx6 h LEU 40 CO -0.08 1.08 0.35 -1.13 0.09 0.00 0.00 178.44 178.76 3mx6 h ASN 41 N 0.79 0.52 -0.40 -0.43 -1.24 -0.63 -1.24 115.58 112.95 3mx6 h ASN 41 Ca 0.11 0.02 -0.13 0.00 0.71 0.00 0.00 56.30 57.01 3mx6 h ASN 41 Cb 0.74 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.70 3mx6 h ASN 41 CO 0.06 0.35 -0.26 0.44 -1.29 0.00 0.00 177.43 176.73 3mx6 h ASP 42 N 0.66 0.93 -0.46 1.15 3.32 -1.21 0.14 116.42 120.94 3mx6 h ASP 42 Ca 0.27 -0.43 0.01 0.00 0.02 0.00 0.00 57.03 56.91 3mx6 h ASP 42 Cb 0.14 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3mx6 h ASP 42 CO -0.16 1.15 0.29 -0.07 -1.72 0.00 0.00 179.24 178.73 3mx6 h LEU 43 N 0.71 0.48 -0.37 1.55 3.38 -1.13 -1.56 115.31 118.37 3mx6 h LEU 43 Ca 0.08 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 3mx6 h LEU 43 Cb 0.84 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3mx6 h LEU 43 CO 0.07 0.34 -0.25 0.00 0.09 0.00 0.00 178.44 178.70 3mx6 h HIS 45 N 0.62 -0.14 -0.13 0.00 -0.00 -0.48 -0.63 115.15 114.39 3mx6 h HIS 45 Ca 0.07 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.35 3mx6 h HIS 45 Cb 0.81 0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.31 3mx6 h HIS 45 CO 0.06 -0.10 -0.42 -0.91 -0.00 0.00 0.00 177.93 176.56 3mx6 h ASN 46 N -0.02 0.31 -0.09 3.26 2.35 -1.27 -1.39 115.58 118.73 3mx6 h ASN 46 Ca 0.10 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3mx6 h ASN 46 Cb 0.17 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 3mx6 h ASN 46 CO -0.22 0.70 0.04 0.15 -1.65 0.00 0.00 177.43 176.45 3mx6 h PHE 47 N 0.25 0.12 -0.11 1.19 3.57 -1.03 -1.29 116.94 119.65 3mx6 h PHE 47 Ca 0.02 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 3mx6 h PHE 47 Cb 0.84 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 3mx6 h PHE 47 CO 0.02 0.20 0.06 0.82 -2.23 0.00 0.00 178.31 177.18 3mx6 h ILE 48 N 0.01 1.08 0.00 1.41 2.04 -0.88 -2.87 117.51 118.29 3mx6 h ILE 48 Ca 0.03 -0.20 -0.12 0.00 1.00 0.00 0.00 64.86 65.57 3mx6 h ILE 48 Cb 0.13 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3mx6 h ILE 48 CO -0.00 0.07 -0.55 0.71 0.00 0.00 0.00 178.15 178.37 3mx6 h THR 49 N 0.09 1.27 0.00 -0.27 1.35 -1.26 -2.24 112.91 111.85 3mx6 h THR 49 Ca 0.04 -1.97 0.00 0.00 -0.55 0.00 0.00 66.41 63.92 3mx6 h THR 49 Cb 0.06 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3mx6 h THR 49 CO -0.01 0.54 0.00 -1.54 -0.25 0.00 0.00 175.52 174.26 3mx6 n SER 50 N -3.69 0.64 -1.68 5.36 3.41 -0.49 -2.05 113.62 115.12 3mx6 n SER 50 Ca -0.01 0.65 0.01 0.00 -0.26 0.00 0.00 58.87 59.26 3mx6 n SER 50 Cb 0.59 -0.79 0.32 0.00 -0.26 0.00 0.00 64.21 64.07 3mx6 n SER 50 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3mx6 n HIS 51 N -2.20 1.94 -3.27 7.33 -0.00 -0.86 -4.96 115.22 113.20 3mx6 n HIS 51 Ca 0.02 -1.03 -0.21 0.00 -0.00 0.00 0.00 57.72 56.50 3mx6 n HIS 51 Cb 0.24 -0.55 0.06 0.00 -0.00 0.00 0.00 29.99 29.74 3mx6 n HIS 51 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3mx6 n ASN 52 N -0.09 -5.93 -4.15 0.41 4.13 -0.87 -5.00 115.26 103.76 3mx6 n ASN 52 Ca 0.33 -0.40 -0.22 0.00 1.68 0.00 0.00 54.58 55.97 3mx6 n ASN 52 Cb 1.21 -4.64 -0.09 0.00 -1.54 0.00 0.00 39.78 34.72 3mx6 n ASN 52 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mx6 s ALA 53 N -3.22 2.41 -0.05 5.41 0.00 -1.08 -4.75 121.76 120.48 3mx6 s ALA 53 Ca 0.43 -1.62 0.05 0.00 0.00 0.00 0.00 51.96 50.82 3mx6 s ALA 53 Cb -0.19 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 3mx6 s ALA 53 CO 0.53 -0.40 -0.21 0.42 0.00 0.00 0.00 175.76 176.10 3mx6 s ILE 54 N -3.39 1.76 -0.42 0.00 -1.09 -0.84 -3.89 121.20 113.34 3mx6 s ILE 54 Ca 0.31 -0.90 -0.29 0.00 -2.23 0.00 0.00 60.65 57.54 3mx6 s ILE 54 Cb 0.05 -1.50 0.01 0.00 -1.58 0.00 0.00 42.46 39.45 3mx6 s ILE 54 CO 0.16 0.50 1.31 -2.16 -1.23 0.00 0.00 174.94 173.51 3mx6 s PRO 55 N -0.08 3.67 0.35 2.79 0.04 -1.26 -0.06 135.00 140.45 3mx6 s PRO 55 Ca -0.03 0.87 0.08 0.00 0.04 0.00 0.00 61.00 61.95 3mx6 s PRO 55 Cb -0.13 -3.96 0.77 0.00 0.04 0.00 0.00 34.50 31.22 3mx6 s PRO 55 CO 0.03 -1.44 1.88 0.00 0.04 0.00 0.00 177.00 177.50 3mx6 h ALA 56 N 10.02 1.78 0.00 8.56 0.00 -1.33 -2.55 119.26 135.74 3mx6 h ALA 56 Ca -0.26 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3mx6 h ALA 56 Cb 1.09 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3mx6 h ALA 56 CO 1.09 -0.00 -0.12 -1.35 0.00 0.00 0.00 179.25 178.87 3mx6 h PRO 57 N 0.74 0.00 -6.21 0.00 0.11 -1.77 -3.38 132.00 121.50 3mx6 h PRO 57 Ca 0.44 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.97 3mx6 h PRO 57 Cb 0.63 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 3mx6 h PRO 57 CO -0.20 0.12 1.29 -1.17 -0.21 0.00 0.00 178.00 177.83 3mx6 s LEU 58 N -7.15 3.66 -1.79 2.35 2.96 -0.96 -1.15 118.68 116.61 3mx6 s LEU 58 Ca -0.02 1.66 0.00 0.00 -0.22 0.00 0.00 54.13 55.54 3mx6 s LEU 58 Cb 0.13 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.29 3mx6 s LEU 58 CO 0.58 -1.60 0.00 -3.20 -1.32 0.00 0.00 176.35 170.81 3mx6 n ASN 59 N 9.95 -5.37 -4.62 3.68 5.15 0.49 -4.96 115.26 119.58 3mx6 n ASN 59 Ca 0.23 0.42 -0.43 0.00 -0.60 0.00 0.00 54.58 54.20 3mx6 n ASN 59 Cb 0.45 -4.35 -0.03 0.00 -0.53 0.00 0.00 39.78 35.32 3mx6 n ASN 59 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3mx6 s TYR 60 N -2.51 1.96 -1.29 1.20 5.04 -0.30 -2.49 117.35 118.96 3mx6 s TYR 60 Ca 0.00 0.52 -0.10 0.00 -2.44 0.00 0.00 57.07 55.05 3mx6 s TYR 60 Cb 0.00 -4.04 0.08 0.00 0.35 0.00 0.00 41.96 38.35 3mx6 s TYR 60 CO 0.00 -3.09 0.50 1.63 -1.34 0.00 0.00 175.55 173.25 3mx6 n LYS 61 N 7.90 -3.35 -0.94 4.97 5.02 -1.26 -0.96 118.16 129.55 3mx6 n LYS 61 Ca 0.20 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 3mx6 n LYS 61 Cb 0.45 -5.17 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 3mx6 n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mx6 n GLY 62 N -1.17 0.76 3.69 0.72 0.00 -1.04 -5.03 105.19 103.13 3mx6 n GLY 62 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 3mx6 n GLY 62 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3mx6 n PHE 63 N -2.44 2.37 1.02 1.61 -0.00 -0.13 -4.76 117.46 115.13 3mx6 n PHE 63 Ca 0.00 0.35 0.11 0.00 -0.00 0.00 0.00 57.45 57.91 3mx6 n PHE 63 Cb 0.00 -2.51 0.33 0.00 -0.00 0.00 0.00 39.48 37.30 3mx6 n PHE 63 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3mx6 n PRO 64 N 2.35 1.96 -4.33 -7.13 -0.04 -1.26 -0.38 135.00 126.17 3mx6 n PRO 64 Ca 0.12 -1.44 -0.21 0.00 -0.04 0.00 0.00 63.50 61.93 3mx6 n PRO 64 Cb 0.32 -1.44 -0.08 0.00 -0.04 0.00 0.00 33.50 32.26 3mx6 n PRO 64 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3mx6 s LYS 65 N -1.76 1.77 0.03 0.54 -0.14 -1.26 -4.88 119.74 114.04 3mx6 s LYS 65 Ca 0.34 -2.04 0.20 0.00 -1.36 0.00 0.00 55.97 53.11 3mx6 s LYS 65 Cb 0.19 0.11 -0.18 0.00 -1.68 0.00 0.00 37.83 36.27 3mx6 s LYS 65 CO 0.29 -0.60 0.66 0.43 -0.76 0.00 0.00 175.35 175.37 3mx6 n SER 66 N -1.44 0.46 -4.35 2.83 7.64 -1.26 -2.95 113.62 114.54 3mx6 n SER 66 Ca 0.04 0.19 -0.18 0.00 1.01 0.00 0.00 58.87 59.93 3mx6 n SER 66 Cb 0.63 0.94 -0.10 0.00 -1.01 0.00 0.00 64.21 64.67 3mx6 n SER 66 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3mx6 s ILE 67 N -3.17 1.04 -0.09 0.44 -4.36 -1.26 -4.27 121.20 109.53 3mx6 s ILE 67 Ca -0.05 -2.03 -0.04 0.00 -0.26 0.00 0.00 60.65 58.27 3mx6 s ILE 67 Cb 0.10 -2.45 -0.04 0.00 1.25 0.00 0.00 42.46 41.33 3mx6 s ILE 67 CO 0.84 -0.24 0.07 0.00 0.24 0.00 0.00 174.94 175.85 3mx6 s THR 69 N -0.98 0.75 -0.25 0.00 -4.23 -0.50 -1.31 115.64 109.12 3mx6 s THR 69 Ca 0.15 -0.48 0.02 0.00 -1.18 0.00 0.00 61.69 60.19 3mx6 s THR 69 Cb -0.12 -1.06 0.05 0.00 1.34 0.00 0.00 72.50 72.71 3mx6 s THR 69 CO 0.04 0.01 -0.11 -0.44 -0.54 0.00 0.00 174.62 173.59 3mx6 s SER 70 N 1.78 4.28 -0.17 3.99 0.01 -0.43 -3.91 113.70 119.24 3mx6 s SER 70 Ca 0.01 -1.20 -0.09 0.00 1.31 0.00 0.00 55.95 55.97 3mx6 s SER 70 Cb -0.16 -1.57 -0.05 0.00 0.21 0.00 0.00 66.02 64.46 3mx6 s SER 70 CO -0.07 -0.16 0.14 -0.63 0.41 0.00 0.00 173.24 172.93 3mx6 s ILE 71 N 1.18 5.44 0.00 1.44 1.01 -1.26 -0.62 121.20 128.39 3mx6 s ILE 71 Ca -0.05 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.82 3mx6 s ILE 71 Cb -0.18 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.83 3mx6 s ILE 71 CO -0.06 0.51 0.00 0.59 0.00 0.00 0.00 174.94 175.98 3mx6 n ASN 72 N 2.94 0.00 0.00 3.58 3.02 -0.48 -1.18 115.26 123.14 3mx6 n ASN 72 Ca -0.17 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.52 3mx6 n ASN 72 Cb 0.53 0.00 0.85 0.00 -0.61 0.00 0.00 39.78 40.55 3mx6 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mx6 n HIS 73 N 2.09 0.00 -2.49 3.10 1.44 -1.26 -2.38 115.22 115.71 3mx6 n HIS 73 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 3mx6 n HIS 73 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 3mx6 n HIS 73 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3mx6 s VAL 74 N -2.00 4.26 -0.15 0.61 1.01 -0.32 -1.49 120.40 122.32 3mx6 s VAL 74 Ca 0.43 1.61 -0.19 0.00 0.00 0.00 0.00 61.98 63.84 3mx6 s VAL 74 Cb 0.20 -4.04 -0.24 0.00 0.00 0.00 0.00 36.38 32.31 3mx6 s VAL 74 CO 0.33 0.08 0.42 0.58 0.00 0.00 0.00 175.10 176.52 3mx6 h VAL 75 N 4.72 1.03 -2.37 2.92 2.07 -0.43 -3.41 116.25 120.79 3mx6 h VAL 75 Ca -0.39 -2.30 0.15 0.00 0.82 0.00 0.00 66.70 64.98 3mx6 h VAL 75 Cb 1.20 2.57 -0.10 0.00 -1.52 0.00 0.00 31.29 33.44 3mx6 h VAL 75 CO 0.82 0.56 0.47 0.00 0.02 0.00 0.00 177.57 179.44 3mx6 n HIS 77 N -0.40 -0.59 -1.99 0.00 8.25 -1.26 -2.10 115.22 117.13 3mx6 n HIS 77 Ca -0.07 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.02 3mx6 n HIS 77 Cb 0.61 -3.45 0.03 0.00 1.12 0.00 0.00 29.99 28.30 3mx6 n HIS 77 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3mx6 s GLY 78 N -2.37 2.80 -0.24 -1.41 0.00 -1.25 -4.01 107.32 100.83 3mx6 s GLY 78 Ca 0.00 1.10 -0.10 0.00 0.00 0.00 0.00 44.72 45.72 3mx6 s GLY 78 CO 0.00 1.55 0.15 -0.42 0.00 0.00 0.00 173.10 174.38 3mx6 s ILE 79 N -1.48 5.25 0.23 0.90 1.01 -1.25 -1.41 121.20 124.45 3mx6 s ILE 79 Ca 0.73 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 61.22 3mx6 s ILE 79 Cb -0.33 -3.45 -0.15 0.00 0.01 0.00 0.00 42.46 38.54 3mx6 s ILE 79 CO 0.38 0.34 1.11 -2.65 0.00 0.00 0.00 174.94 174.12 3mx6 n PRO 80 N 4.36 1.33 -3.96 2.79 -0.02 -1.26 -4.88 135.00 133.36 3mx6 n PRO 80 Ca -0.15 0.47 -0.12 0.00 -2.02 0.00 0.00 63.50 61.68 3mx6 n PRO 80 Cb 0.52 -1.92 -0.01 0.00 -0.02 0.00 0.00 33.50 32.08 3mx6 n PRO 80 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3mx6 s ASN 81 N -0.25 0.54 -0.01 2.55 2.20 -1.26 -4.69 114.94 114.01 3mx6 s ASN 81 Ca 0.66 -1.36 0.08 0.00 -0.94 0.00 0.00 52.86 51.30 3mx6 s ASN 81 Cb -0.76 0.76 0.25 0.00 -2.00 0.00 0.00 41.25 39.50 3mx6 s ASN 81 CO 0.56 -1.50 1.16 -0.90 -2.94 0.00 0.00 177.10 173.48 3mx6 n ASP 82 N -1.48 1.66 -4.72 3.54 5.68 -1.26 -1.52 116.55 118.45 3mx6 n ASP 82 Ca -0.03 -2.05 -0.42 0.00 -0.50 0.00 0.00 54.79 51.79 3mx6 n ASP 82 Cb 0.61 -0.24 -0.03 0.00 -1.14 0.00 0.00 41.12 40.31 3mx6 n ASP 82 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3mx6 s LYS 83 N -1.64 4.54 0.27 0.11 1.02 -1.26 -4.92 119.74 117.85 3mx6 s LYS 83 Ca 0.18 1.61 -0.29 0.00 0.02 0.00 0.00 55.97 57.49 3mx6 s LYS 83 Cb 0.10 -3.37 -0.09 0.00 -0.52 0.00 0.00 37.83 33.95 3mx6 s LYS 83 CO 0.11 -0.07 1.22 -2.14 -0.92 0.00 0.00 175.35 173.55 3mx6 s PRO 84 N 0.64 4.48 0.38 -1.68 0.02 -1.26 -3.92 135.00 133.67 3mx6 s PRO 84 Ca 0.53 1.99 -0.27 0.00 0.02 0.00 0.00 61.00 63.27 3mx6 s PRO 84 Cb -0.26 -3.16 -0.09 0.00 0.02 0.00 0.00 34.50 31.01 3mx6 s PRO 84 CO 0.30 -0.04 1.27 -0.51 -0.33 0.00 0.00 177.00 177.69 3mx6 s LEU 85 N -1.12 4.29 0.07 -5.54 1.43 -0.25 -4.83 118.68 112.73 3mx6 s LEU 85 Ca 0.49 2.60 0.06 0.00 -1.03 0.00 0.00 54.13 56.25 3mx6 s LEU 85 Cb -0.35 -3.84 -0.04 0.00 0.03 0.00 0.00 46.19 41.99 3mx6 s LEU 85 CO 0.44 -0.70 -0.10 -0.54 0.23 0.00 0.00 176.35 175.68 3mx6 s LYS 86 N -2.08 2.23 0.04 1.70 1.02 -1.26 -0.33 119.74 121.05 3mx6 s LYS 86 Ca 0.54 -0.94 -0.37 0.00 0.02 0.00 0.00 55.97 55.21 3mx6 s LYS 86 Cb -0.37 -2.34 -0.17 0.00 -0.52 0.00 0.00 37.83 34.43 3mx6 s LYS 86 CO 0.48 0.54 1.35 -1.71 -0.92 0.00 0.00 175.35 175.08 3mx6 n ASN 87 N 1.01 1.52 0.00 2.83 5.15 -1.26 -1.52 115.26 122.99 3mx6 n ASN 87 Ca -0.14 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.96 3mx6 n ASN 87 Cb 0.52 -1.15 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 3mx6 n ASN 87 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3mx6 n GLY 88 N 2.56 1.74 3.75 8.20 0.00 0.45 -4.92 105.19 116.97 3mx6 n GLY 88 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3mx6 n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mx6 s ASP 89 N -1.62 4.43 0.02 1.61 1.01 -0.58 -4.71 116.67 116.83 3mx6 s ASP 89 Ca 0.00 1.98 0.07 0.00 0.71 0.00 0.00 52.55 55.31 3mx6 s ASP 89 Cb 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 3mx6 s ASP 89 CO 0.00 -2.09 -0.22 0.27 0.21 0.00 0.00 175.17 173.34 3mx6 s ILE 90 N -2.61 1.75 -0.02 0.77 -4.36 -1.26 -1.41 121.20 114.06 3mx6 s ILE 90 Ca 0.65 -1.10 0.01 0.00 -0.26 0.00 0.00 60.65 59.95 3mx6 s ILE 90 Cb -0.20 -1.49 0.02 0.00 1.25 0.00 0.00 42.46 42.04 3mx6 s ILE 90 CO 0.51 0.36 -0.01 0.54 0.24 0.00 0.00 174.94 176.57 3mx6 s VAL 91 N -0.66 0.21 -0.11 8.37 0.11 -0.53 -1.38 120.40 126.42 3mx6 s VAL 91 Ca 0.08 -0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 58.95 3mx6 s VAL 91 Cb -0.09 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 3mx6 s VAL 91 CO 0.01 0.12 0.46 0.21 -3.33 0.00 0.00 175.10 172.56 3mx6 s ASN 92 N 0.58 6.68 -0.18 3.54 3.84 0.21 -0.14 114.94 129.47 3mx6 s ASN 92 Ca -0.06 0.81 -0.02 0.00 0.21 0.00 0.00 52.86 53.80 3mx6 s ASN 92 Cb -0.09 -2.28 -0.01 0.00 -0.55 0.00 0.00 41.25 38.33 3mx6 s ASN 92 CO -0.01 0.04 -0.08 -0.63 -2.79 0.00 0.00 177.10 173.63 3mx6 s ILE 93 N 0.43 3.23 -0.17 -5.21 1.01 -0.66 -1.32 121.20 118.50 3mx6 s ILE 93 Ca 0.25 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.34 3mx6 s ILE 93 Cb -0.15 -2.42 0.03 0.00 0.01 0.00 0.00 42.46 39.92 3mx6 s ILE 93 CO 0.10 0.47 -0.14 -0.62 0.00 0.00 0.00 174.94 174.75 3mx6 s ASP 94 N 1.00 3.02 -0.05 3.58 -1.08 -0.43 -2.15 116.67 120.56 3mx6 s ASP 94 Ca -0.01 -0.66 0.03 0.00 -0.52 0.00 0.00 52.55 51.40 3mx6 s ASP 94 Cb -0.15 -1.25 -0.03 0.00 -1.46 0.00 0.00 42.92 40.03 3mx6 s ASP 94 CO -0.00 -0.08 -0.14 -0.69 0.52 0.00 0.00 175.17 174.78 3mx6 s VAL 95 N 1.42 3.07 -0.06 1.11 1.01 -0.22 -2.08 120.40 124.65 3mx6 s VAL 95 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3mx6 s VAL 95 Cb -0.14 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.06 3mx6 s VAL 95 CO -0.10 0.59 -0.04 -0.89 0.00 0.00 0.00 175.10 174.66 3mx6 s THR 96 N -0.69 0.57 0.10 3.92 2.01 -1.26 -0.94 115.64 119.35 3mx6 s THR 96 Ca 0.10 -0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.08 3mx6 s THR 96 Cb -0.11 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 3mx6 s THR 96 CO 0.01 0.26 -0.02 0.68 -0.69 0.00 0.00 174.62 174.85 3mx6 s VAL 97 N 1.33 3.84 -0.22 3.82 -7.23 -0.52 -0.98 120.40 120.43 3mx6 s VAL 97 Ca -0.04 -1.11 -0.04 0.00 -1.81 0.00 0.00 61.98 58.98 3mx6 s VAL 97 Cb -0.14 -2.84 -0.01 0.00 0.56 0.00 0.00 36.38 33.96 3mx6 s VAL 97 CO -0.02 0.09 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.17 3mx6 s ILE 98 N -1.34 3.33 -0.18 -0.62 1.01 0.91 -1.20 121.20 123.10 3mx6 s ILE 98 Ca 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.40 3mx6 s ILE 98 Cb -0.11 -2.51 0.04 0.00 0.01 0.00 0.00 42.46 39.89 3mx6 s ILE 98 CO 0.17 0.43 -0.07 -0.22 0.00 0.00 0.00 174.94 175.25 3mx6 s LEU 99 N 1.47 1.93 -1.37 2.97 2.96 0.02 -1.98 118.68 124.68 3mx6 s LEU 99 Ca 0.06 -0.77 -0.03 0.00 -0.22 0.00 0.00 54.13 53.16 3mx6 s LEU 99 Cb -0.14 -1.06 0.02 0.00 0.50 0.00 0.00 46.19 45.51 3mx6 s LEU 99 CO -0.04 -0.17 0.24 0.47 -1.32 0.00 0.00 176.35 175.54 3mx6 n ASP 100 N 4.79 -4.78 0.00 3.68 8.00 -1.26 -1.83 116.55 125.14 3mx6 n ASP 100 Ca -0.13 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.29 3mx6 n ASP 100 Cb 0.47 -3.97 0.00 0.00 -0.02 0.00 0.00 41.12 37.60 3mx6 n ASP 100 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mx6 n GLY 101 N -1.09 0.71 3.53 0.44 0.00 -1.26 -5.06 105.19 102.46 3mx6 n GLY 101 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3mx6 n GLY 101 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mx6 s TRP 102 N -2.79 2.80 -0.16 1.61 0.52 -0.76 -4.37 118.94 115.79 3mx6 s TRP 102 Ca 0.00 -0.08 -0.08 0.00 0.02 0.00 0.00 56.10 55.95 3mx6 s TRP 102 Cb 0.00 -1.65 -0.04 0.00 -1.15 0.00 0.00 33.47 30.63 3mx6 s TRP 102 CO 0.00 0.26 0.12 0.71 0.02 0.00 0.00 176.95 178.07 3mx6 s TYR 103 N -0.80 3.46 -0.12 -1.98 1.51 -0.36 -0.80 117.35 118.26 3mx6 s TYR 103 Ca 0.13 0.38 0.01 0.00 -1.01 0.00 0.00 57.07 56.58 3mx6 s TYR 103 Cb -0.11 -2.05 0.02 0.00 -0.11 0.00 0.00 41.96 39.71 3mx6 s TYR 103 CO 0.02 0.46 -0.14 0.20 -1.11 0.00 0.00 175.55 174.98 3mx6 s GLY 104 N -0.24 1.06 -0.16 0.71 0.00 -0.34 -4.62 107.32 103.72 3mx6 s GLY 104 Ca 0.11 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.05 3mx6 s GLY 104 CO 0.01 0.39 -0.13 -0.35 0.00 0.00 0.00 173.10 173.01 3mx6 s ASP 105 N 1.23 2.90 -0.05 1.64 -1.08 -1.26 -1.43 116.67 118.61 3mx6 s ASP 105 Ca -0.01 -0.61 -0.24 0.00 -0.52 0.00 0.00 52.55 51.16 3mx6 s ASP 105 Cb -0.14 -1.20 0.05 0.00 -1.46 0.00 0.00 42.92 40.18 3mx6 s ASP 105 CO -0.06 -0.08 0.54 0.28 0.52 0.00 0.00 175.17 176.37 3mx6 s THR 106 N 1.46 0.02 0.04 1.71 -1.32 -0.12 -2.97 115.64 114.46 3mx6 s THR 106 Ca 0.03 -0.16 -0.02 0.00 -1.21 0.00 0.00 61.69 60.32 3mx6 s THR 106 Cb -0.14 -0.85 -0.03 0.00 -1.51 0.00 0.00 72.50 69.98 3mx6 s THR 106 CO -0.10 -0.09 0.02 -0.94 -2.21 0.00 0.00 174.62 171.29 3mx6 s SER 107 N -1.10 0.34 0.06 8.08 1.04 -0.87 -1.05 113.70 120.20 3mx6 s SER 107 Ca -0.11 -0.77 -0.04 0.00 0.48 0.00 0.00 55.95 55.52 3mx6 s SER 107 Cb -0.02 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 3mx6 s SER 107 CO 0.07 -0.53 0.05 -0.13 0.98 0.00 0.00 173.24 173.68 3mx6 s ARG 108 N -3.12 0.67 0.09 4.02 0.52 -0.91 -2.03 118.95 118.19 3mx6 s ARG 108 Ca -0.01 -1.08 -0.12 0.00 -0.52 0.00 0.00 55.73 54.01 3mx6 s ARG 108 Cb 0.02 0.25 -0.06 0.00 0.52 0.00 0.00 34.95 35.68 3mx6 s ARG 108 CO -0.07 -0.16 0.46 -1.64 0.02 0.00 0.00 175.30 173.91 3mx6 s MET 109 N -3.70 3.87 -0.00 3.54 -1.94 -1.26 -1.66 119.30 118.14 3mx6 s MET 109 Ca 0.05 0.33 0.05 0.00 -1.71 0.00 0.00 55.69 54.40 3mx6 s MET 109 Cb 0.06 -3.01 -0.01 0.00 2.01 0.00 0.00 34.83 33.88 3mx6 s MET 109 CO -0.10 0.55 -0.15 0.71 -0.01 0.00 0.00 175.02 176.03 3mx6 s TYR 110 N -1.37 1.31 0.28 -0.03 2.02 0.80 -4.33 117.35 116.01 3mx6 s TYR 110 Ca 0.33 -0.26 -0.26 0.00 -0.37 0.00 0.00 57.07 56.51 3mx6 s TYR 110 Cb -0.15 -0.83 -0.09 0.00 -0.40 0.00 0.00 41.96 40.49 3mx6 s TYR 110 CO 0.18 -0.01 0.91 0.71 -1.57 0.00 0.00 175.55 175.76 3mx6 s TYR 111 N -0.41 3.79 -0.32 2.71 2.02 -1.26 -1.45 117.35 122.43 3mx6 s TYR 111 Ca 0.05 1.77 -0.04 0.00 -0.37 0.00 0.00 57.07 58.49 3mx6 s TYR 111 Cb -0.06 -2.90 0.05 0.00 -0.40 0.00 0.00 41.96 38.65 3mx6 s TYR 111 CO -0.00 0.32 0.05 0.08 -1.57 0.00 0.00 175.55 174.42 3mx6 s VAL 112 N -1.44 3.32 0.00 0.71 1.01 -0.50 -4.82 120.40 118.67 3mx6 s VAL 112 Ca 0.46 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3mx6 s VAL 112 Cb -0.21 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.27 3mx6 s VAL 112 CO 0.26 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.82 3mx6 n GLY 113 N 4.70 2.15 3.59 4.51 0.00 -1.26 -0.41 105.19 118.46 3mx6 n GLY 113 Ca -0.13 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 3mx6 n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mx6 s ASP 114 N -4.00 6.39 -0.12 1.61 1.01 -1.26 -4.78 116.67 115.52 3mx6 s ASP 114 Ca 0.00 0.26 -0.05 0.00 0.71 0.00 0.00 52.55 53.47 3mx6 s ASP 114 Cb 0.00 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 3mx6 s ASP 114 CO 0.00 -0.41 0.07 -0.69 0.21 0.00 0.00 175.17 174.36 3mx6 s VAL 115 N 2.41 4.92 0.89 -1.27 1.01 -1.26 -3.05 120.40 124.05 3mx6 s VAL 115 Ca 0.21 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 3mx6 s VAL 115 Cb -0.15 -3.13 0.12 0.00 0.00 0.00 0.00 36.38 33.22 3mx6 s VAL 115 CO 0.12 0.58 1.10 0.00 0.00 0.00 0.00 175.10 176.90 3mx6 s ALA 116 N -0.72 1.56 0.19 5.51 0.00 -1.26 -4.87 121.76 122.16 3mx6 s ALA 116 Ca 0.12 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.09 3mx6 s ALA 116 Cb -0.12 -3.26 0.14 0.00 0.00 0.00 0.00 23.12 19.88 3mx6 s ALA 116 CO 0.03 -2.39 1.81 0.82 0.00 0.00 0.00 175.76 176.03 3mx6 h ILE 117 N -1.58 1.01 -0.19 0.00 2.04 -1.99 -2.70 117.51 114.10 3mx6 h ILE 117 Ca -0.48 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 3mx6 h ILE 117 Cb 1.27 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3mx6 h ILE 117 CO 0.51 0.11 0.09 0.11 0.00 0.00 0.00 178.15 178.97 3mx6 h LYS 118 N 0.60 0.27 -0.78 2.37 1.57 -2.00 -1.38 116.57 117.22 3mx6 h LYS 118 Ca 0.23 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3mx6 h LYS 118 Cb 0.09 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 3mx6 h LYS 118 CO -0.13 0.31 0.39 -1.35 -0.57 0.00 0.00 179.45 178.10 3mx6 h PRO 119 N 0.18 1.10 -0.85 3.15 0.11 -1.94 -1.77 132.00 131.98 3mx6 h PRO 119 Ca 0.07 -0.14 0.03 0.00 0.11 0.00 0.00 66.00 66.06 3mx6 h PRO 119 Cb 0.12 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 30.98 3mx6 h PRO 119 CO -0.01 0.84 0.56 0.87 -0.21 0.00 0.00 178.00 180.05 3mx6 h LYS 120 N 1.10 1.03 -0.31 1.05 1.57 -1.22 -1.43 116.57 118.35 3mx6 h LYS 120 Ca 0.27 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 3mx6 h LYS 120 Cb 0.08 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3mx6 h LYS 120 CO -0.04 0.68 -0.07 -0.09 -0.57 0.00 0.00 179.45 179.36 3mx6 h ARG 121 N 1.06 0.60 -0.15 3.15 2.43 -0.80 -1.58 114.38 119.10 3mx6 h ARG 121 Ca 0.34 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 3mx6 h ARG 121 Cb 0.02 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3mx6 h ARG 121 CO -0.10 0.78 -0.04 1.25 -1.51 0.00 0.00 179.97 180.36 3mx6 h LEU 122 N 0.38 -0.13 -0.41 3.80 5.85 -1.02 -0.58 115.31 123.19 3mx6 h LEU 122 Ca 0.08 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.90 3mx6 h LEU 122 Cb 0.56 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 3mx6 h LEU 122 CO 0.03 -0.05 0.13 0.40 -0.34 0.00 0.00 178.44 178.61 3mx6 h ILE 123 N 0.00 0.85 -0.27 4.05 2.04 -1.22 -1.29 117.51 121.68 3mx6 h ILE 123 Ca 0.07 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 3mx6 h ILE 123 Cb 0.11 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3mx6 h ILE 123 CO -0.15 0.05 0.08 -0.61 0.00 0.00 0.00 178.15 177.52 3mx6 h GLN 124 N 0.28 0.43 -0.92 2.37 5.75 -0.87 -1.75 115.11 120.40 3mx6 h GLN 124 Ca 0.19 -0.10 0.07 0.00 -0.15 0.00 0.00 58.65 58.67 3mx6 h GLN 124 Cb 0.20 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.62 3mx6 h GLN 124 CO -0.21 0.51 0.58 0.28 -2.65 0.00 0.00 178.83 177.33 3mx6 h VAL 125 N 0.28 1.03 -0.31 2.39 2.07 -1.01 -0.80 116.25 119.89 3mx6 h VAL 125 Ca 0.09 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3mx6 h VAL 125 Cb 0.26 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3mx6 h VAL 125 CO -0.00 0.19 0.13 0.74 0.02 0.00 0.00 177.57 178.64 3mx6 h THR 126 N 1.03 1.18 -0.04 2.57 2.02 -0.91 0.10 112.91 118.86 3mx6 h THR 126 Ca 0.41 -0.55 0.02 0.00 0.77 0.00 0.00 66.41 67.05 3mx6 h THR 126 Cb 0.22 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3mx6 h THR 126 CO -0.19 0.19 -0.06 0.22 0.37 0.00 0.00 175.52 176.05 3mx6 h TYR 127 N 0.36 -0.16 -1.00 3.16 3.20 -1.06 -1.56 116.97 119.91 3mx6 h TYR 127 Ca 0.10 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.05 3mx6 h TYR 127 Cb 0.18 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.46 3mx6 h TYR 127 CO -0.01 -0.10 0.65 -0.44 -1.64 0.00 0.00 178.16 176.62 3mx6 h ASP 128 N -0.09 1.04 -0.28 -2.11 3.32 -0.92 -1.65 116.42 115.72 3mx6 h ASP 128 Ca 0.04 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3mx6 h ASP 128 Cb 0.15 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3mx6 h ASP 128 CO -0.10 0.66 -0.09 0.00 -1.72 0.00 0.00 179.24 177.99 3mx6 h ALA 129 N 1.46 0.39 -0.55 3.45 0.00 -0.54 -0.24 119.26 123.23 3mx6 h ALA 129 Ca 0.43 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 55.15 3mx6 h ALA 129 Cb 0.17 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 3mx6 h ALA 129 CO -0.17 0.23 0.07 1.98 0.00 0.00 0.00 179.25 181.36 3mx6 h MET 130 N 0.32 0.19 -0.25 0.00 1.85 -0.92 -1.36 114.93 114.75 3mx6 h MET 130 Ca 0.07 -0.01 -0.09 0.00 -0.61 0.00 0.00 59.70 59.06 3mx6 h MET 130 Cb 0.58 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.56 3mx6 h MET 130 CO 0.03 0.12 -0.22 0.52 -0.40 0.00 0.00 176.91 176.97 3mx6 h MET 131 N 0.19 0.47 -0.69 0.39 2.07 -0.87 -1.45 114.93 115.04 3mx6 h MET 131 Ca 0.28 -0.16 -0.02 0.00 -2.07 0.00 0.00 59.70 57.73 3mx6 h MET 131 Cb 0.42 -0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.08 3mx6 h MET 131 CO -0.40 0.66 0.35 0.87 1.07 0.00 0.00 176.91 179.46 3mx6 h LYS 132 N 0.42 0.97 -0.23 1.72 1.79 -0.40 -0.87 116.57 119.97 3mx6 h LYS 132 Ca 0.07 -0.12 -0.06 0.00 -2.18 0.00 0.00 60.65 58.36 3mx6 h LYS 132 Cb 0.62 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 3mx6 h LYS 132 CO 0.04 0.74 -0.07 0.78 -1.08 0.00 0.00 179.45 179.86 3mx6 h GLY 133 N 1.04 0.50 1.28 3.86 0.00 -0.65 -3.13 103.07 105.96 3mx6 h GLY 133 Ca 0.24 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 3mx6 h GLY 133 CO -0.03 0.39 0.12 -2.22 0.00 0.00 0.00 176.54 174.79 3mx6 h ILE 134 N 0.19 1.24 0.00 2.60 2.04 -1.07 -3.10 117.51 119.40 3mx6 h ILE 134 Ca 0.06 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3mx6 h ILE 134 Cb 0.54 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3mx6 h ILE 134 CO 0.03 0.33 0.00 -0.33 0.00 0.00 0.00 178.15 178.18 3mx6 h GLU 135 N 0.86 0.00 -0.00 2.37 5.08 -1.10 -0.79 114.58 121.00 3mx6 h GLU 135 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3mx6 h GLU 135 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3mx6 h GLU 135 CO 0.00 0.00 -0.12 1.33 -1.00 0.00 0.00 179.01 179.22 3mx6 n VAL 136 N -3.04 0.00 -2.26 3.13 0.24 -1.17 -4.92 118.33 110.31 3mx6 n VAL 136 Ca -0.01 -0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.87 3mx6 n VAL 136 Cb 0.19 -0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 32.22 3mx6 n VAL 136 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3mx6 s VAL 137 N -3.00 3.69 -0.17 3.34 1.01 -0.30 -4.82 120.40 120.15 3mx6 s VAL 137 Ca 0.13 1.15 -0.33 0.00 0.00 0.00 0.00 61.98 62.94 3mx6 s VAL 137 Cb 0.19 -3.74 0.14 0.00 0.00 0.00 0.00 36.38 32.96 3mx6 s VAL 137 CO 0.57 0.05 1.15 0.00 0.00 0.00 0.00 175.10 176.86 3mx6 s ARG 138 N 1.71 0.40 0.32 2.72 1.70 -1.25 -3.54 118.95 121.01 3mx6 s ARG 138 Ca 0.62 -0.10 -0.29 0.00 -0.47 0.00 0.00 55.73 55.50 3mx6 s ARG 138 Cb -0.32 0.18 -0.12 0.00 -0.57 0.00 0.00 34.95 34.12 3mx6 s ARG 138 CO 0.28 -0.16 1.43 -2.30 -1.08 0.00 0.00 175.30 173.46 3mx6 n PRO 139 N 0.05 2.37 0.00 3.89 -0.02 -1.26 -2.30 135.00 137.73 3mx6 n PRO 139 Ca -0.02 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3mx6 n PRO 139 Cb 0.59 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3mx6 n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mx6 n GLY 140 N 1.24 3.17 3.72 -1.23 0.00 -0.65 -4.99 105.19 106.45 3mx6 n GLY 140 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3mx6 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mx6 s ALA 141 N -2.58 1.87 0.16 4.61 0.00 -0.97 -4.73 121.76 120.12 3mx6 s ALA 141 Ca 0.00 0.38 0.07 0.00 0.00 0.00 0.00 51.96 52.40 3mx6 s ALA 141 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 3mx6 s ALA 141 CO 0.00 -2.22 0.01 0.15 0.00 0.00 0.00 175.76 173.70 3mx6 s LYS 142 N -4.80 2.46 0.33 0.00 -0.14 -1.26 -0.55 119.74 115.78 3mx6 s LYS 142 Ca 0.64 -1.05 0.05 0.00 -1.36 0.00 0.00 55.97 54.25 3mx6 s LYS 142 Cb -0.19 -2.40 0.70 0.00 -1.68 0.00 0.00 37.83 34.25 3mx6 s LYS 142 CO 0.57 0.47 1.89 1.25 -0.76 0.00 0.00 175.35 178.76 3mx6 h LEU 143 N 2.78 0.75 -1.81 3.17 5.85 -1.15 -0.34 115.31 124.56 3mx6 h LEU 143 Ca -0.47 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 3mx6 h LEU 143 Cb 1.20 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 3mx6 h LEU 143 CO 0.58 0.43 -0.06 1.23 -0.34 0.00 0.00 178.44 180.28 3mx6 h GLY 144 N 0.82 0.00 1.29 3.75 0.00 -1.13 -2.55 103.07 105.25 3mx6 h GLY 144 Ca 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 3mx6 h GLY 144 CO -0.19 0.00 0.33 -0.55 0.00 0.00 0.00 176.54 176.13 3mx6 h ASP 145 N 0.00 0.83 0.30 0.19 3.32 -1.21 0.67 116.42 120.53 3mx6 h ASP 145 Ca -0.00 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3mx6 h ASP 145 Cb 0.41 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3mx6 h ASP 145 CO 0.01 0.70 -0.14 0.40 -1.72 0.00 0.00 179.24 178.48 3mx6 h ILE 146 N 0.93 0.73 -0.68 0.35 2.04 -1.55 -2.10 117.51 117.23 3mx6 h ILE 146 Ca 0.23 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 3mx6 h ILE 146 Cb 0.08 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3mx6 h ILE 146 CO -0.03 0.06 0.31 1.23 0.00 0.00 0.00 178.15 179.71 3mx6 h GLY 147 N -0.54 1.07 0.92 5.37 0.00 -1.54 -1.86 103.07 106.49 3mx6 h GLY 147 Ca -0.04 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 46.75 3mx6 h GLY 147 CO 0.07 0.52 0.22 -1.82 0.00 0.00 0.00 176.54 175.53 3mx6 h TYR 148 N 0.96 0.41 -0.68 5.60 3.20 -0.87 -0.34 116.97 125.25 3mx6 h TYR 148 Ca 0.23 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 3mx6 h TYR 148 Cb 0.15 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3mx6 h TYR 148 CO 0.01 0.24 0.39 0.00 -1.64 0.00 0.00 178.16 177.16 3mx6 h ALA 149 N 1.16 0.86 0.03 1.82 0.00 -1.09 0.13 119.26 122.18 3mx6 h ALA 149 Ca 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3mx6 h ALA 149 Cb -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3mx6 h ALA 149 CO -0.06 0.36 -0.02 0.82 0.00 0.00 0.00 179.25 180.35 3mx6 h ILE 150 N 0.92 1.25 -0.62 0.00 2.04 -1.12 -2.83 117.51 117.15 3mx6 h ILE 150 Ca 0.24 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 3mx6 h ILE 150 Cb 0.01 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 3mx6 h ILE 150 CO -0.04 0.23 0.35 -0.61 0.00 0.00 0.00 178.15 178.08 3mx6 h GLN 151 N -0.44 0.86 -0.61 2.37 4.15 -0.99 -1.30 115.11 119.15 3mx6 h GLN 151 Ca -0.00 -0.09 0.05 0.00 0.77 0.00 0.00 58.65 59.37 3mx6 h GLN 151 Cb 0.41 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 27.88 3mx6 h GLN 151 CO 0.01 0.64 0.34 0.77 -1.93 0.00 0.00 178.83 178.66 3mx6 h SER 152 N 0.85 0.52 -0.25 -0.69 0.02 -0.79 -0.57 113.55 112.64 3mx6 h SER 152 Ca 0.22 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 61.04 3mx6 h SER 152 Cb 0.02 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3mx6 h SER 152 CO -0.04 0.35 -0.46 0.22 -1.14 0.00 0.00 176.83 175.76 3mx6 h TYR 153 N 0.65 0.95 -0.32 3.45 5.03 -1.20 -2.27 116.97 123.26 3mx6 h TYR 153 Ca 0.27 -0.34 -0.08 0.00 2.58 0.00 0.00 58.73 61.16 3mx6 h TYR 153 Cb 0.13 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.23 3mx6 h TYR 153 CO -0.08 1.13 -0.12 0.00 -1.32 0.00 0.00 178.16 177.77 3mx6 h ALA 154 N 0.65 0.45 0.00 1.82 0.00 -0.90 -3.18 119.26 118.09 3mx6 h ALA 154 Ca 0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 3mx6 h ALA 154 Cb 1.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3mx6 h ALA 154 CO 0.10 0.32 -0.33 0.93 0.00 0.00 0.00 179.25 180.28 3mx6 h GLU 155 N 0.42 0.00 0.00 0.00 5.08 -1.09 -2.00 114.58 116.99 3mx6 h GLU 155 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3mx6 h GLU 155 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3mx6 h GLU 155 CO 0.04 0.33 0.00 1.57 -1.00 0.00 0.00 179.01 179.95 3mx6 h LYS 156 N 0.00 0.00 -0.63 2.33 2.10 -1.38 -1.47 116.57 117.53 3mx6 h LYS 156 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3mx6 h LYS 156 Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 3mx6 h LYS 156 CO 0.04 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.21 3mx6 n HIS 157 N -2.59 1.40 -2.20 0.07 8.25 -0.79 -4.96 115.22 114.41 3mx6 n HIS 157 Ca 0.01 -0.61 -0.15 0.00 -0.26 0.00 0.00 57.72 56.71 3mx6 n HIS 157 Cb 0.26 -0.23 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 3mx6 n HIS 157 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3mx6 n ASN 158 N 1.06 -4.52 -4.92 0.41 5.15 -0.55 -5.04 115.26 106.85 3mx6 n ASN 158 Ca 0.25 0.02 -0.20 0.00 -0.60 0.00 0.00 54.58 54.06 3mx6 n ASN 158 Cb 0.86 -3.64 -0.02 0.00 -0.53 0.00 0.00 39.78 36.46 3mx6 n ASN 158 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3mx6 s TYR 159 N -2.72 2.76 0.27 1.20 2.02 -0.99 -4.85 117.35 115.04 3mx6 s TYR 159 Ca 0.00 -0.45 0.12 0.00 -0.37 0.00 0.00 57.07 56.37 3mx6 s TYR 159 Cb 0.00 -2.22 -0.05 0.00 -0.40 0.00 0.00 41.96 39.29 3mx6 s TYR 159 CO 0.00 -0.20 -0.20 -1.54 -1.57 0.00 0.00 175.55 172.03 3mx6 s SER 160 N -4.20 3.55 -0.18 2.29 1.04 -0.60 -3.95 113.70 111.65 3mx6 s SER 160 Ca 0.50 -1.01 -0.04 0.00 0.48 0.00 0.00 55.95 55.88 3mx6 s SER 160 Cb -0.06 -0.29 -0.02 0.00 0.10 0.00 0.00 66.02 65.75 3mx6 s SER 160 CO 0.30 0.04 -0.04 -0.69 0.98 0.00 0.00 173.24 173.83 3mx6 s VAL 161 N -2.44 3.66 0.22 5.02 1.01 -1.26 -1.03 120.40 125.58 3mx6 s VAL 161 Ca 0.29 -0.42 -0.32 0.00 0.00 0.00 0.00 61.98 61.53 3mx6 s VAL 161 Cb -0.05 -2.63 -0.12 0.00 0.00 0.00 0.00 36.38 33.58 3mx6 s VAL 161 CO 0.14 0.46 1.69 -0.69 0.00 0.00 0.00 175.10 176.70 3mx6 s VAL 162 N 0.86 2.09 -0.06 2.92 1.01 -0.49 -4.82 120.40 121.91 3mx6 s VAL 162 Ca -0.01 0.06 0.21 0.00 0.00 0.00 0.00 61.98 62.25 3mx6 s VAL 162 Cb -0.15 -3.04 -0.31 0.00 0.00 0.00 0.00 36.38 32.88 3mx6 s VAL 162 CO 0.01 0.01 0.44 0.54 0.00 0.00 0.00 175.10 176.10 3mx6 n ARG 163 N 3.74 0.66 0.13 2.72 5.12 -1.26 -4.58 116.66 123.19 3mx6 n ARG 163 Ca 0.15 -0.15 0.13 0.00 -1.93 0.00 0.00 57.85 56.04 3mx6 n ARG 163 Cb 0.36 -1.53 0.29 0.00 -1.16 0.00 0.00 32.46 30.41 3mx6 n ARG 163 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3mx6 h ASP 164 N 0.00 0.00 -4.20 0.55 3.32 -1.90 -3.45 116.42 110.74 3mx6 h ASP 164 Ca -0.09 -0.03 -0.36 0.00 0.02 0.00 0.00 57.03 56.56 3mx6 h ASP 164 Cb 1.20 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.49 3mx6 h ASP 164 CO 0.01 0.02 -0.77 -0.31 -1.72 0.00 0.00 179.24 176.46 3mx6 s TYR 165 N -3.15 0.79 0.21 4.55 1.51 -1.26 -5.16 117.35 114.84 3mx6 s TYR 165 Ca 0.09 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 55.89 3mx6 s TYR 165 Cb 0.11 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.43 3mx6 s TYR 165 CO 0.64 -0.02 0.16 0.95 -1.11 0.00 0.00 175.55 176.17 3mx6 s THR 166 N -0.54 0.00 1.02 -0.71 -4.23 -1.26 -4.77 115.64 105.15 3mx6 s THR 166 Ca 0.00 -1.98 -0.17 0.00 -1.18 0.00 0.00 61.69 58.37 3mx6 s THR 166 Cb -0.05 -2.49 0.22 0.00 1.34 0.00 0.00 72.50 71.52 3mx6 s THR 166 CO 0.00 0.00 1.28 -0.83 -0.54 0.00 0.00 174.62 174.53 3mx6 s GLY 167 N -3.17 1.74 0.01 3.99 0.00 -0.24 -4.85 107.32 104.79 3mx6 s GLY 167 Ca 0.39 -1.16 -0.27 0.00 0.00 0.00 0.00 44.72 43.68 3mx6 s GLY 167 CO 0.13 -0.36 0.60 -2.38 0.00 0.00 0.00 173.10 171.10 3mx6 s HIS 168 N -3.71 -0.55 0.76 1.90 -3.43 -1.25 -1.01 115.29 108.00 3mx6 s HIS 168 Ca 0.74 0.79 -0.15 0.00 -0.80 0.00 0.00 55.06 55.63 3mx6 s HIS 168 Cb -0.05 0.39 0.01 0.00 -1.43 0.00 0.00 32.58 31.50 3mx6 s HIS 168 CO 0.54 -0.64 0.82 0.41 -2.00 0.00 0.00 174.74 173.87 3mx6 n GLY 169 N 0.62 -0.86 3.45 -1.38 0.00 -0.24 -0.30 105.19 106.48 3mx6 n GLY 169 Ca -0.19 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 3mx6 n GLY 169 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3mx6 s ILE 170 N -1.95 0.00 0.00 -0.61 2.07 -1.13 -0.56 121.20 119.03 3mx6 s ILE 170 Ca 0.69 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.93 3mx6 s ILE 170 Cb -0.33 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.26 3mx6 s ILE 170 CO 0.54 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 174.18 3mx6 n GLY 171 N -0.30 -1.04 0.02 1.50 0.00 -1.26 -4.55 105.19 99.56 3mx6 n GLY 171 Ca -0.15 0.44 0.14 0.00 0.00 0.00 0.00 46.02 46.46 3mx6 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mx6 n ARG 172 N 0.00 0.33 -4.58 1.61 1.74 -1.26 -1.23 116.66 113.27 3mx6 n ARG 172 Ca 0.00 -0.04 -0.28 0.00 -0.77 0.00 0.00 57.85 56.76 3mx6 n ARG 172 Cb 0.00 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.80 3mx6 n ARG 172 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mx6 s VAL 173 N -2.70 2.02 0.00 1.55 1.01 -1.26 -4.91 120.40 116.12 3mx6 s VAL 173 Ca 0.24 -1.50 -0.25 0.00 0.00 0.00 0.00 61.98 60.47 3mx6 s VAL 173 Cb 0.20 -1.77 -0.14 0.00 0.00 0.00 0.00 36.38 34.67 3mx6 s VAL 173 CO 0.49 0.17 1.05 0.15 0.00 0.00 0.00 175.10 176.97 3mx6 h PHE 174 N 4.38 -0.75 -3.58 5.22 3.04 -1.88 -3.40 116.94 119.97 3mx6 h PHE 174 Ca -0.47 -0.02 -0.66 0.00 3.98 0.00 0.00 57.97 60.80 3mx6 h PHE 174 Cb 1.16 0.25 -0.40 0.00 2.56 0.00 0.00 35.95 39.52 3mx6 h PHE 174 CO 0.55 -0.43 -0.67 -1.01 -2.02 0.00 0.00 178.31 174.73 3mx6 s HIS 175 N -4.46 3.58 0.47 0.41 3.76 -1.26 -4.44 115.29 113.34 3mx6 s HIS 175 Ca -0.13 -2.99 0.01 0.00 -0.15 0.00 0.00 55.06 51.80 3mx6 s HIS 175 Cb 0.01 -2.94 0.01 0.00 1.11 0.00 0.00 32.58 30.78 3mx6 s HIS 175 CO 0.42 -0.89 0.11 -3.47 -0.85 0.00 0.00 174.74 170.06 3mx6 n ASP 176 N 3.93 3.06 -4.87 1.40 -0.08 0.28 -4.96 116.55 115.32 3mx6 n ASP 176 Ca 0.04 -2.92 -0.31 0.00 -1.51 0.00 0.00 54.79 50.09 3mx6 n ASP 176 Cb 0.39 0.21 -0.03 0.00 2.34 0.00 0.00 41.12 44.03 3mx6 n ASP 176 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3mx6 s LYS 177 N -3.77 3.83 0.67 -0.67 -0.14 -1.26 -1.08 119.74 117.31 3mx6 s LYS 177 Ca 0.09 0.59 0.01 0.00 -1.36 0.00 0.00 55.97 55.29 3mx6 s LYS 177 Cb -0.01 -2.34 0.10 0.00 -1.68 0.00 0.00 37.83 33.91 3mx6 s LYS 177 CO 0.06 -0.08 0.92 -1.25 -0.76 0.00 0.00 175.35 174.24 3mx6 s PRO 178 N -3.84 1.94 0.19 -1.68 0.04 -1.26 -3.87 135.00 126.51 3mx6 s PRO 178 Ca 0.53 -1.11 -0.30 0.00 0.04 0.00 0.00 61.00 60.16 3mx6 s PRO 178 Cb -0.10 -2.40 -0.08 0.00 0.04 0.00 0.00 34.50 31.96 3mx6 s PRO 178 CO 0.30 -1.22 1.07 -1.12 0.04 0.00 0.00 177.00 176.07 3mx6 s SER 179 N -4.66 7.33 -0.72 6.66 0.01 -1.26 -1.90 113.70 119.15 3mx6 s SER 179 Ca 0.64 2.06 -0.10 0.00 1.31 0.00 0.00 55.95 59.86 3mx6 s SER 179 Cb -0.06 -2.61 0.19 0.00 0.21 0.00 0.00 66.02 63.75 3mx6 s SER 179 CO 0.42 -0.16 0.62 -0.63 0.41 0.00 0.00 173.24 173.90 3mx6 s ILE 180 N -0.42 4.85 0.46 1.44 -1.09 -0.18 -4.93 121.20 121.33 3mx6 s ILE 180 Ca 0.48 -2.56 -0.22 0.00 -2.23 0.00 0.00 60.65 56.11 3mx6 s ILE 180 Cb -0.29 -4.06 -0.08 0.00 -1.58 0.00 0.00 42.46 36.46 3mx6 s ILE 180 CO 0.35 -0.95 1.12 -0.76 -1.23 0.00 0.00 174.94 173.46 3mx6 s LEU 181 N 0.22 3.97 -0.04 2.97 1.02 -1.26 -1.08 118.68 124.48 3mx6 s LEU 181 Ca 0.16 2.17 0.16 0.00 0.02 0.00 0.00 54.13 56.64 3mx6 s LEU 181 Cb -0.15 -4.33 0.53 0.00 0.02 0.00 0.00 46.19 42.25 3mx6 s LEU 181 CO -0.06 -0.85 1.42 0.59 0.02 0.00 0.00 176.35 177.47 3mx6 n ASN 182 N -0.59 3.37 -3.89 2.29 3.02 -1.26 -3.69 115.26 114.51 3mx6 n ASN 182 Ca 0.08 -2.16 -0.10 0.00 -0.03 0.00 0.00 54.58 52.36 3mx6 n ASN 182 Cb 0.49 -0.44 -0.10 0.00 -0.61 0.00 0.00 39.78 39.13 3mx6 n ASN 182 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3mx6 s TYR 183 N -1.49 0.11 -3.29 3.10 1.13 -1.25 -3.35 117.35 112.30 3mx6 s TYR 183 Ca 0.39 -0.29 0.00 0.00 -1.41 0.00 0.00 57.07 55.75 3mx6 s TYR 183 Cb 0.22 -0.08 0.00 0.00 -1.10 0.00 0.00 41.96 41.00 3mx6 s TYR 183 CO 0.23 -0.33 0.00 0.41 -2.51 0.00 0.00 175.55 173.35 3mx6 n GLY 184 N 1.14 -1.84 3.47 5.49 0.00 -1.23 -4.57 105.19 107.65 3mx6 n GLY 184 Ca -0.21 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 3mx6 n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mx6 s ARG 185 N -1.66 2.47 0.31 1.61 3.00 -1.26 -3.55 118.95 119.88 3mx6 s ARG 185 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 55.73 54.73 3mx6 s ARG 185 Cb 0.00 -2.36 -0.12 0.00 0.00 0.00 0.00 34.95 32.47 3mx6 s ARG 185 CO 0.00 0.62 1.42 -1.71 0.00 0.00 0.00 175.30 175.63 3mx6 n ASN 186 N 2.28 3.20 -0.28 0.23 5.15 -1.26 -2.96 115.26 121.62 3mx6 n ASN 186 Ca -0.17 1.18 -0.04 0.00 -0.60 0.00 0.00 54.58 54.96 3mx6 n ASN 186 Cb 0.52 -1.52 -0.02 0.00 -0.53 0.00 0.00 39.78 38.23 3mx6 n ASN 186 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3mx6 n GLY 187 N 1.33 0.66 3.71 8.20 0.00 -1.26 -4.91 105.19 112.91 3mx6 n GLY 187 Ca 0.06 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 3mx6 n GLY 187 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mx6 s THR 188 N -2.03 3.28 0.00 2.61 -4.23 -1.16 -5.00 115.64 109.11 3mx6 s THR 188 Ca 0.00 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3mx6 s THR 188 Cb 0.00 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.88 3mx6 s THR 188 CO 0.00 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 3mx6 n GLY 189 N -1.06 -3.00 3.80 3.99 0.00 -1.26 -0.67 105.19 106.98 3mx6 n GLY 189 Ca -0.05 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 3mx6 n GLY 189 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3mx6 s LEU 190 N 0.00 3.04 -0.10 0.99 0.05 -1.26 -4.45 118.68 116.96 3mx6 s LEU 190 Ca 0.00 1.67 -0.24 0.00 0.05 0.00 0.00 54.13 55.61 3mx6 s LEU 190 Cb 0.00 -4.46 -0.03 0.00 -2.05 0.00 0.00 46.19 39.65 3mx6 s LEU 190 CO 0.00 -1.73 0.73 -0.89 -0.55 0.00 0.00 176.35 173.91 3mx6 s THR 191 N -3.00 5.00 0.47 5.48 2.01 -1.26 -1.11 115.64 123.24 3mx6 s THR 191 Ca 0.59 1.48 -0.23 0.00 0.31 0.00 0.00 61.69 63.85 3mx6 s THR 191 Cb -0.15 -4.06 -0.07 0.00 0.01 0.00 0.00 72.50 68.22 3mx6 s THR 191 CO 0.55 0.19 1.22 -0.76 -0.69 0.00 0.00 174.62 175.13 3mx6 s LEU 192 N 1.18 4.01 0.02 4.42 1.43 0.29 -4.89 118.68 125.13 3mx6 s LEU 192 Ca 0.37 2.43 0.04 0.00 -1.03 0.00 0.00 54.13 55.95 3mx6 s LEU 192 Cb -0.17 -4.20 -0.02 0.00 0.03 0.00 0.00 46.19 41.83 3mx6 s LEU 192 CO 0.17 -1.03 -0.12 -0.54 0.23 0.00 0.00 176.35 175.06 3mx6 s LYS 193 N -2.67 0.91 0.13 1.70 -0.14 -1.26 -1.64 119.74 116.76 3mx6 s LYS 193 Ca 0.64 -0.58 -0.35 0.00 -1.36 0.00 0.00 55.97 54.32 3mx6 s LYS 193 Cb -0.32 -0.88 -0.16 0.00 -1.68 0.00 0.00 37.83 34.79 3mx6 s LYS 193 CO 0.39 0.23 1.29 -1.91 -0.76 0.00 0.00 175.35 174.59 3mx6 n GLU 194 N 2.33 1.23 -0.05 1.68 2.13 -1.26 -2.40 120.64 124.30 3mx6 n GLU 194 Ca -0.16 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.10 3mx6 n GLU 194 Cb 0.55 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 30.23 3mx6 n GLU 194 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mx6 n GLY 195 N 2.37 0.43 3.75 8.31 0.00 0.08 -4.73 105.19 115.40 3mx6 n GLY 195 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3mx6 n GLY 195 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mx6 s MET 196 N -0.92 4.68 -0.01 1.61 -1.94 -1.01 -0.84 119.30 120.87 3mx6 s MET 196 Ca 0.00 1.71 0.07 0.00 -1.71 0.00 0.00 55.69 55.76 3mx6 s MET 196 Cb 0.00 -3.23 -0.02 0.00 2.01 0.00 0.00 34.83 33.59 3mx6 s MET 196 CO 0.00 0.25 -0.23 -0.06 -0.01 0.00 0.00 175.02 174.98 3mx6 s PHE 197 N -0.95 2.43 0.12 -0.03 0.08 -1.26 -1.00 117.98 117.37 3mx6 s PHE 197 Ca 0.45 -0.36 -0.26 0.00 0.12 0.00 0.00 56.93 56.88 3mx6 s PHE 197 Cb -0.30 -1.51 0.07 0.00 -0.57 0.00 0.00 43.02 40.71 3mx6 s PHE 197 CO 0.38 0.06 0.92 -0.59 -0.10 0.00 0.00 175.22 175.88 3mx6 s PHE 198 N -0.70 -0.20 0.20 0.36 -0.12 -0.65 -2.82 117.98 114.06 3mx6 s PHE 198 Ca 0.11 -0.07 -0.00 0.00 -0.05 0.00 0.00 56.93 56.92 3mx6 s PHE 198 Cb -0.10 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 3mx6 s PHE 198 CO 0.00 -0.78 0.39 0.95 -0.05 0.00 0.00 175.22 175.73 3mx6 s THR 199 N -3.30 5.21 -0.20 -4.49 -4.23 0.59 -1.05 115.64 108.17 3mx6 s THR 199 Ca 0.10 -0.39 0.01 0.00 -1.18 0.00 0.00 61.69 60.23 3mx6 s THR 199 Cb -0.01 -3.74 0.04 0.00 1.34 0.00 0.00 72.50 70.13 3mx6 s THR 199 CO -0.01 -0.18 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.09 3mx6 s VAL 200 N -1.87 1.67 -0.39 2.29 1.01 -0.53 -3.77 120.40 118.80 3mx6 s VAL 200 Ca 0.38 -1.00 0.10 0.00 0.00 0.00 0.00 61.98 61.47 3mx6 s VAL 200 Cb -0.11 -1.72 0.32 0.00 0.00 0.00 0.00 36.38 34.87 3mx6 s VAL 200 CO 0.29 0.20 0.76 -1.84 0.00 0.00 0.00 175.10 174.51 3mx6 n GLU 201 N 4.68 0.92 -2.13 2.72 0.28 -1.26 -2.13 120.64 123.72 3mx6 n GLU 201 Ca -0.15 -3.05 -0.41 0.00 -0.16 0.00 0.00 57.16 53.39 3mx6 n GLU 201 Cb 0.47 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.81 3mx6 n GLU 201 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3mx6 s PRO 202 N -1.64 4.33 -0.22 3.44 0.04 -1.22 -4.74 135.00 134.99 3mx6 s PRO 202 Ca 0.36 2.19 -0.04 0.00 0.04 0.00 0.00 61.00 63.55 3mx6 s PRO 202 Cb 0.30 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 3mx6 s PRO 202 CO -0.09 -0.19 -0.04 -1.64 0.04 0.00 0.00 177.00 175.07 3mx6 s MET 203 N -1.82 3.39 -0.09 4.56 -1.94 -1.26 -3.46 119.30 118.67 3mx6 s MET 203 Ca 0.49 -0.62 0.04 0.00 -1.71 0.00 0.00 55.69 53.89 3mx6 s MET 203 Cb -0.39 -3.00 0.00 0.00 2.01 0.00 0.00 34.83 33.45 3mx6 s MET 203 CO 0.52 -0.17 -0.22 0.42 -0.01 0.00 0.00 175.02 175.56 3mx6 s ILE 204 N 1.40 1.91 -0.03 2.53 -1.09 -0.27 -1.39 121.20 124.27 3mx6 s ILE 204 Ca 0.05 -0.93 -0.02 0.00 -2.23 0.00 0.00 60.65 57.52 3mx6 s ILE 204 Cb -0.14 -1.66 -0.04 0.00 -1.58 0.00 0.00 42.46 39.04 3mx6 s ILE 204 CO -0.03 0.53 0.11 0.20 -1.23 0.00 0.00 174.94 174.52 3mx6 s ASN 205 N 0.38 5.91 0.37 3.58 0.01 -0.19 -0.89 114.94 124.11 3mx6 s ASN 205 Ca -0.18 0.24 0.14 0.00 -0.71 0.00 0.00 52.86 52.35 3mx6 s ASN 205 Cb -0.18 -1.77 0.70 0.00 0.41 0.00 0.00 41.25 40.42 3mx6 s ASN 205 CO 0.08 0.30 1.80 0.00 -1.51 0.00 0.00 177.10 177.77 3mx6 h ALA 206 N 4.24 1.29 -3.00 0.60 0.00 -1.03 -1.59 119.26 119.77 3mx6 h ALA 206 Ca -0.50 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.05 3mx6 h ALA 206 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3mx6 h ALA 206 CO 0.63 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.78 3mx6 n GLY 207 N -0.32 0.95 3.92 0.00 0.00 -1.26 -4.72 105.19 103.76 3mx6 n GLY 207 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 3mx6 n GLY 207 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mx6 s ASN 208 N -0.37 5.96 0.08 1.61 0.01 -1.26 -3.87 114.94 117.10 3mx6 s ASN 208 Ca 0.00 0.75 0.27 0.00 -0.71 0.00 0.00 52.86 53.18 3mx6 s ASN 208 Cb 0.00 -1.95 0.98 0.00 0.41 0.00 0.00 41.25 40.69 3mx6 s ASN 208 CO 0.00 -0.77 1.80 0.00 -1.51 0.00 0.00 177.10 176.62 3mx6 n TYR 209 N -2.35 0.36 -2.02 2.20 4.11 -1.26 -4.85 117.16 113.35 3mx6 n TYR 209 Ca 0.02 0.11 -0.41 0.00 -0.00 0.00 0.00 57.90 57.62 3mx6 n TYR 209 Cb 0.56 -0.65 -0.02 0.00 -0.00 0.00 0.00 39.34 39.24 3mx6 n TYR 209 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3mx6 s ASP 210 N -3.61 6.65 0.32 9.48 1.01 -1.26 -4.53 116.67 124.72 3mx6 s ASP 210 Ca 0.12 2.78 0.06 0.00 0.71 0.00 0.00 52.55 56.22 3mx6 s ASP 210 Cb 0.16 -2.65 -0.06 0.00 1.01 0.00 0.00 42.92 41.38 3mx6 s ASP 210 CO 0.58 -0.65 -0.02 0.42 0.21 0.00 0.00 175.17 175.71 3mx6 s THR 211 N -0.96 1.65 -0.02 -1.27 -4.23 -1.26 -1.02 115.64 108.53 3mx6 s THR 211 Ca 0.51 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 58.96 3mx6 s THR 211 Cb -0.42 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 70.77 3mx6 s THR 211 CO 0.54 -0.16 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.77 3mx6 s ILE 212 N -2.99 0.57 -0.07 2.99 1.01 0.28 -4.69 121.20 118.29 3mx6 s ILE 212 Ca 0.33 -0.23 -0.15 0.00 0.00 0.00 0.00 60.65 60.59 3mx6 s ILE 212 Cb 0.06 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.95 3mx6 s ILE 212 CO 0.14 0.19 0.40 -0.22 0.00 0.00 0.00 174.94 175.46 3mx6 s LEU 213 N 0.31 4.36 0.14 2.97 2.96 -1.26 -0.82 118.68 127.35 3mx6 s LEU 213 Ca -0.04 0.81 -0.33 0.00 -0.22 0.00 0.00 54.13 54.36 3mx6 s LEU 213 Cb -0.08 -2.57 -0.12 0.00 0.50 0.00 0.00 46.19 43.92 3mx6 s LEU 213 CO 0.00 0.18 1.73 -0.24 -1.32 0.00 0.00 176.35 176.70 3mx6 n SER 214 N 2.76 3.69 0.25 3.68 2.88 -0.23 -4.88 113.62 121.78 3mx6 n SER 214 Ca -0.11 1.04 0.16 0.00 -1.33 0.00 0.00 58.87 58.62 3mx6 n SER 214 Cb 0.52 -1.50 0.52 0.00 -0.75 0.00 0.00 64.21 63.00 3mx6 n SER 214 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3mx6 h LYS 215 N 7.25 0.00 0.09 -1.46 1.57 -1.96 -3.06 116.57 119.00 3mx6 h LYS 215 Ca -0.45 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.01 3mx6 h LYS 215 Cb 1.23 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 3mx6 h LYS 215 CO 0.93 0.00 -1.73 -0.07 -0.57 0.00 0.00 179.45 178.01 3mx6 h LEU 216 N 0.00 0.30 -0.29 2.94 3.38 -1.99 -3.41 115.31 116.24 3mx6 h LEU 216 Ca 0.00 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.16 3mx6 h LEU 216 Cb 0.66 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3mx6 h LEU 216 CO 0.00 1.73 -0.38 -0.90 0.09 0.00 0.00 178.44 178.98 3mx6 n ASP 217 N -3.80 0.77 0.00 -0.43 5.68 -1.26 -5.01 116.55 112.50 3mx6 n ASP 217 Ca -0.31 -0.88 0.00 0.00 -0.50 0.00 0.00 54.79 53.09 3mx6 n ASP 217 Cb 0.93 0.80 0.00 0.00 -1.14 0.00 0.00 41.12 41.71 3mx6 n ASP 217 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mx6 n GLY 218 N 1.12 0.50 1.43 6.12 0.00 -1.16 -4.77 105.19 108.43 3mx6 n GLY 218 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3mx6 n GLY 218 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mx6 n TRP 219 N -2.42 0.00 -2.13 1.61 7.02 -1.26 -4.91 117.44 115.35 3mx6 n TRP 219 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 3mx6 n TRP 219 Cb 0.09 0.27 -0.03 0.00 -2.42 0.00 0.00 31.31 29.22 3mx6 n TRP 219 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3mx6 s THR 220 N -1.93 3.77 -0.18 -0.99 2.01 -1.26 -4.70 115.64 112.37 3mx6 s THR 220 Ca 0.00 0.95 -0.08 0.00 0.31 0.00 0.00 61.69 62.87 3mx6 s THR 220 Cb 0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 3mx6 s THR 220 CO 0.00 -0.08 0.08 -0.69 -0.69 0.00 0.00 174.62 173.25 3mx6 s VAL 221 N 3.76 4.99 0.27 3.82 1.01 -0.89 -1.07 120.40 132.30 3mx6 s VAL 221 Ca 0.68 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.77 3mx6 s VAL 221 Cb -0.30 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 3mx6 s VAL 221 CO 0.25 0.48 -0.08 0.42 0.00 0.00 0.00 175.10 176.17 3mx6 s THR 222 N 0.16 1.77 0.20 3.92 -4.23 0.00 0.31 115.64 117.77 3mx6 s THR 222 Ca 0.06 -2.16 -0.30 0.00 -1.18 0.00 0.00 61.69 58.11 3mx6 s THR 222 Cb -0.12 -2.39 -0.08 0.00 1.34 0.00 0.00 72.50 71.25 3mx6 s THR 222 CO -0.00 -0.35 1.11 0.42 -0.54 0.00 0.00 174.62 175.26 3mx6 s THR 223 N -2.94 3.77 0.35 3.99 -4.23 -0.56 -0.56 115.64 115.46 3mx6 s THR 223 Ca 0.29 1.57 0.03 0.00 -1.18 0.00 0.00 61.69 62.39 3mx6 s THR 223 Cb 0.02 -4.00 0.27 0.00 1.34 0.00 0.00 72.50 70.13 3mx6 s THR 223 CO 0.12 0.29 1.99 -0.09 -0.54 0.00 0.00 174.62 176.38 3mx6 h ARG 224 N 4.87 0.84 -0.12 3.99 2.43 -1.35 -2.26 114.38 122.78 3mx6 h ARG 224 Ca -0.45 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3mx6 h ARG 224 Cb 1.21 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3mx6 h ARG 224 CO 0.72 0.56 0.00 -0.40 -1.51 0.00 0.00 179.97 179.33 3mx6 n ASP 225 N -4.45 1.61 -1.32 -3.80 5.68 -1.26 -4.92 116.55 108.08 3mx6 n ASP 225 Ca 0.08 -1.63 -0.17 0.00 -0.50 0.00 0.00 54.79 52.57 3mx6 n ASP 225 Cb 0.10 -0.07 -0.07 0.00 -1.14 0.00 0.00 41.12 39.94 3mx6 n ASP 225 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3mx6 n LYS 226 N 0.27 -1.29 -1.32 0.11 5.02 -0.85 -5.00 118.16 115.10 3mx6 n LYS 226 Ca 0.17 1.10 -0.31 0.00 -2.02 0.00 0.00 58.31 57.26 3mx6 n LYS 226 Cb 0.34 -5.38 0.09 0.00 -0.02 0.00 0.00 35.03 30.06 3mx6 n LYS 226 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3mx6 s SER 227 N -2.77 4.58 0.57 4.39 1.04 -1.26 -4.78 113.70 115.47 3mx6 s SER 227 Ca 0.00 1.74 -0.19 0.00 0.48 0.00 0.00 55.95 57.98 3mx6 s SER 227 Cb 0.00 -2.47 -0.05 0.00 0.10 0.00 0.00 66.02 63.60 3mx6 s SER 227 CO 0.00 -1.97 1.17 -0.76 0.98 0.00 0.00 173.24 172.66 3mx6 s LEU 228 N -5.87 3.71 -0.01 2.42 1.43 -1.26 -4.31 118.68 114.78 3mx6 s LEU 228 Ca 0.61 2.28 0.01 0.00 -1.03 0.00 0.00 54.13 56.00 3mx6 s LEU 228 Cb -0.17 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.47 3mx6 s LEU 228 CO 0.56 -1.41 -0.03 -0.55 0.23 0.00 0.00 176.35 175.15 3mx6 s SER 229 N -1.69 0.44 0.15 2.29 0.15 -1.00 -0.39 113.70 113.65 3mx6 s SER 229 Ca 0.75 -0.06 0.07 0.00 0.70 0.00 0.00 55.95 57.41 3mx6 s SER 229 Cb -0.27 -0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 63.91 3mx6 s SER 229 CO 0.30 0.02 -0.15 0.00 1.20 0.00 0.00 173.24 174.61 3mx6 s ALA 230 N 0.10 1.73 -0.06 5.45 0.00 -0.07 -4.74 121.76 124.17 3mx6 s ALA 230 Ca -0.01 -1.42 -0.10 0.00 0.00 0.00 0.00 51.96 50.43 3mx6 s ALA 230 Cb -0.04 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.00 3mx6 s ALA 230 CO -0.00 0.13 0.24 -1.14 0.00 0.00 0.00 175.76 174.99 3mx6 s GLN 231 N -2.92 0.43 0.14 0.00 0.74 -1.26 -1.11 119.66 115.68 3mx6 s GLN 231 Ca 0.13 0.07 0.05 0.00 0.05 0.00 0.00 55.36 55.66 3mx6 s GLN 231 Cb -0.04 0.19 -0.04 0.00 1.10 0.00 0.00 33.01 34.22 3mx6 s GLN 231 CO 0.05 -0.09 -0.11 -0.06 -0.55 0.00 0.00 175.29 174.52 3mx6 s PHE 232 N -0.53 1.30 -0.06 1.67 0.08 -1.22 -4.13 117.98 115.09 3mx6 s PHE 232 Ca -0.06 -0.68 -0.07 0.00 0.12 0.00 0.00 56.93 56.24 3mx6 s PHE 232 Cb -0.04 -0.67 0.02 0.00 -0.57 0.00 0.00 43.02 41.76 3mx6 s PHE 232 CO 0.02 0.11 0.19 -2.00 -0.10 0.00 0.00 175.22 173.43 3mx6 s GLU 233 N -3.35 0.26 0.12 0.44 2.12 -0.86 -3.44 118.70 113.98 3mx6 s GLU 233 Ca 0.14 0.19 0.05 0.00 0.36 0.00 0.00 54.97 55.71 3mx6 s GLU 233 Cb -0.00 0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.47 3mx6 s GLU 233 CO 0.02 -0.04 -0.13 -1.01 -0.54 0.00 0.00 175.26 173.56 3mx6 s HIS 234 N -0.09 1.30 -0.17 5.30 3.76 -0.91 -2.06 115.29 122.43 3mx6 s HIS 234 Ca -0.02 -0.58 -0.09 0.00 -0.15 0.00 0.00 55.06 54.22 3mx6 s HIS 234 Cb -0.02 -0.69 -0.05 0.00 1.11 0.00 0.00 32.58 32.94 3mx6 s HIS 234 CO 0.00 0.10 0.12 0.99 -0.85 0.00 0.00 174.74 175.11 3mx6 s THR 235 N -2.22 5.32 0.19 1.30 2.01 -1.16 -1.45 115.64 119.63 3mx6 s THR 235 Ca 0.08 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.26 3mx6 s THR 235 Cb -0.04 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 3mx6 s THR 235 CO 0.02 0.49 -0.02 0.27 -0.69 0.00 0.00 174.62 174.69 3mx6 s ILE 236 N -0.02 0.92 0.09 1.82 -4.36 -0.22 -0.62 121.20 118.82 3mx6 s ILE 236 Ca 0.09 -2.02 0.07 0.00 -0.26 0.00 0.00 60.65 58.53 3mx6 s ILE 236 Cb -0.11 -2.17 -0.03 0.00 1.25 0.00 0.00 42.46 41.39 3mx6 s ILE 236 CO -0.00 -0.46 -0.17 -0.83 0.24 0.00 0.00 174.94 173.72 3mx6 s GLY 237 N -3.23 1.05 -0.22 6.27 0.00 -0.15 -1.64 107.32 109.41 3mx6 s GLY 237 Ca 0.25 -1.15 -0.21 0.00 0.00 0.00 0.00 44.72 43.61 3mx6 s GLY 237 CO 0.05 -1.17 0.66 0.14 0.00 0.00 0.00 173.10 172.79 3mx6 s VAL 238 N -1.35 4.98 0.18 1.40 1.01 -0.17 -0.91 120.40 125.54 3mx6 s VAL 238 Ca 0.03 1.24 0.01 0.00 0.00 0.00 0.00 61.98 63.26 3mx6 s VAL 238 Cb -0.09 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.35 3mx6 s VAL 238 CO 0.03 0.06 0.25 0.35 0.00 0.00 0.00 175.10 175.79 3mx6 n THR 239 N 4.92 0.00 0.25 3.92 -2.24 -0.44 -0.74 114.28 119.94 3mx6 n THR 239 Ca -0.00 -0.48 0.09 0.00 -2.27 0.00 0.00 64.05 61.39 3mx6 n THR 239 Cb 0.49 -1.08 0.63 0.00 -2.10 0.00 0.00 70.33 68.27 3mx6 n THR 239 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3mx6 h LYS 240 N 0.00 0.00 0.00 -0.78 -0.00 -1.97 -3.32 116.57 110.50 3mx6 h LYS 240 Ca -0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.57 3mx6 h LYS 240 Cb 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.57 3mx6 h LYS 240 CO 0.10 0.11 -0.47 -0.40 -0.00 0.00 0.00 179.45 178.80 3mx6 n ASP 241 N -4.17 0.00 0.00 7.07 3.85 -1.26 -4.63 116.55 117.41 3mx6 n ASP 241 Ca -0.03 -1.94 0.00 0.00 -0.71 0.00 0.00 54.79 52.12 3mx6 n ASP 241 Cb 0.19 -0.19 0.00 0.00 -1.35 0.00 0.00 41.12 39.78 3mx6 n ASP 241 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mx6 n GLY 242 N 0.00 0.65 3.19 6.12 0.00 -1.25 -4.82 105.19 109.08 3mx6 n GLY 242 Ca 0.00 0.26 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 3mx6 n GLY 242 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mx6 s PHE 243 N 1.67 0.73 -0.03 1.61 -0.71 -1.23 -1.33 117.98 118.69 3mx6 s PHE 243 Ca 0.00 -1.11 -0.00 0.00 -1.04 0.00 0.00 56.93 54.78 3mx6 s PHE 243 Cb 0.00 -0.38 0.03 0.00 -1.21 0.00 0.00 43.02 41.46 3mx6 s PHE 243 CO 0.00 -0.55 0.03 -2.00 -1.34 0.00 0.00 175.22 171.35 3mx6 s GLU 244 N -4.02 0.06 -0.15 1.99 2.12 -0.08 -4.79 118.70 113.83 3mx6 s GLU 244 Ca 0.21 0.20 -0.18 0.00 0.36 0.00 0.00 54.97 55.55 3mx6 s GLU 244 Cb 0.07 -0.39 -0.04 0.00 0.26 0.00 0.00 34.13 34.03 3mx6 s GLU 244 CO 0.00 -0.20 0.50 0.42 -0.54 0.00 0.00 175.26 175.45 3mx6 s ILE 245 N 1.31 5.15 -0.67 -3.70 1.01 -1.26 -0.97 121.20 122.06 3mx6 s ILE 245 Ca -0.06 0.97 0.24 0.00 0.00 0.00 0.00 60.65 61.80 3mx6 s ILE 245 Cb -0.13 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 3mx6 s ILE 245 CO -0.03 0.26 1.19 0.49 0.00 0.00 0.00 174.94 176.86 3mx6 n PHE 246 N 4.16 0.35 -1.43 3.97 3.72 0.20 -4.32 117.46 124.12 3mx6 n PHE 246 Ca -0.06 0.10 0.01 0.00 -0.05 0.00 0.00 57.45 57.46 3mx6 n PHE 246 Cb 0.51 -0.50 0.20 0.00 -0.94 0.00 0.00 39.48 38.75 3mx6 n PHE 246 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3mx6 n THR 247 N -1.97 2.36 -2.06 4.37 -2.24 -1.25 -2.82 114.28 110.68 3mx6 n THR 247 Ca 0.03 -2.80 -0.41 0.00 -2.27 0.00 0.00 64.05 58.60 3mx6 n THR 247 Cb 0.42 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 3mx6 n THR 247 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3mx6 s LEU 248 N -3.18 4.40 -0.03 3.22 1.43 -1.26 -4.66 118.68 118.60 3mx6 s LEU 248 Ca 0.41 2.64 -0.33 0.00 -1.03 0.00 0.00 54.13 55.81 3mx6 s LEU 248 Cb 0.38 -3.63 -0.12 0.00 0.03 0.00 0.00 46.19 42.85 3mx6 s LEU 248 CO -0.01 -0.64 1.86 -0.24 0.23 0.00 0.00 176.35 177.54 3mx6 n SER 249 N 2.00 3.54 0.20 2.29 2.88 -1.26 -4.85 113.62 118.42 3mx6 n SER 249 Ca 0.05 0.98 0.05 0.00 -1.33 0.00 0.00 58.87 58.62 3mx6 n SER 249 Cb 0.41 -1.41 0.51 0.00 -0.75 0.00 0.00 64.21 62.97 3mx6 n SER 249 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3mx6 h PRO 250 N 8.98 0.06 -0.37 -1.46 0.11 -1.92 -2.39 132.00 135.01 3mx6 h PRO 250 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3mx6 h PRO 250 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3mx6 h PRO 250 CO 0.94 0.19 0.00 1.63 -0.21 0.00 0.00 178.00 180.55 3mx6 n LYS 251 N -4.36 1.90 -3.19 1.05 5.02 -1.26 -4.93 118.16 112.38 3mx6 n LYS 251 Ca -0.02 -1.39 -0.23 0.00 -2.02 0.00 0.00 58.31 54.65 3mx6 n LYS 251 Cb 0.21 -1.32 0.04 0.00 -0.02 0.00 0.00 35.03 33.94 3mx6 n LYS 251 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3mx6 n LYS 252 N 0.62 -5.35 -2.52 1.97 4.76 -0.90 -4.91 118.16 111.83 3mx6 n LYS 252 Ca 0.14 0.84 -0.42 0.00 -2.87 0.00 0.00 58.31 56.00 3mx6 n LYS 252 Cb 0.34 -5.73 0.01 0.00 -1.84 0.00 0.00 35.03 27.80 3mx6 n LYS 252 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3mx6 n LEU 253 N -4.21 6.71 0.11 -0.35 4.77 -1.26 -4.77 117.00 117.99 3mx6 n LEU 253 Ca -0.08 -4.86 -0.21 0.00 -0.03 0.00 0.00 56.01 50.83 3mx6 n LEU 253 Cb 0.60 -1.40 -0.15 0.00 -2.33 0.00 0.00 43.42 40.14 3mx6 n LEU 253 CO 0.52 1.55 -0.28 0.44 -1.33 0.00 0.00 177.39 178.29 3mx6 h ASP 254 N 5.52 0.61 -5.02 -1.43 3.32 -1.93 -3.46 116.42 114.04 3mx6 h ASP 254 Ca 0.36 -0.73 -0.05 0.00 0.02 0.00 0.00 57.03 56.62 3mx6 h ASP 254 Cb 0.59 -0.20 -0.15 0.00 0.22 0.00 0.00 39.33 39.79 3mx6 h ASP 254 CO 1.52 1.59 0.09 -0.72 -1.72 0.00 0.00 179.24 180.00 3mx6 s TYR 255 N -2.61 -0.46 0.66 4.55 -0.85 -1.26 -4.92 117.35 112.46 3mx6 s TYR 255 Ca -0.09 0.46 -0.12 0.00 -0.52 0.00 0.00 57.07 56.80 3mx6 s TYR 255 Cb 0.06 0.40 -0.01 0.00 0.38 0.00 0.00 41.96 42.79 3mx6 s TYR 255 CO 0.89 -0.70 1.06 -1.25 -1.52 0.00 0.00 175.55 174.03 3mx6 s PRO 256 N -2.76 3.07 0.55 -3.49 0.04 -1.26 -4.50 135.00 126.64 3mx6 s PRO 256 Ca -0.04 1.02 -0.18 0.00 0.04 0.00 0.00 61.00 61.85 3mx6 s PRO 256 Cb -0.00 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 3mx6 s PRO 256 CO -0.04 -1.00 1.05 -1.25 0.04 0.00 0.00 177.00 175.80 3mx6 s PRO 257 N -4.77 3.52 0.00 0.56 0.04 -1.26 -5.01 135.00 128.09 3mx6 s PRO 257 Ca 0.59 1.27 0.23 0.00 0.04 0.00 0.00 61.00 63.13 3mx6 s PRO 257 Cb -0.14 -2.06 0.18 0.00 0.04 0.00 0.00 34.50 32.52 3mx6 s PRO 257 CO 0.50 -0.65 1.23 0.66 0.04 0.00 0.00 177.00 178.77