#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wdm s LEU 3 N 0.00 4.07 0.46 2.46 1.43 -1.26 -5.06 118.68 120.78 1wdm s LEU 3 Ca 0.00 0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 53.24 1wdm s LEU 3 Cb 0.00 -2.46 -0.08 0.00 0.03 0.00 0.00 46.19 43.68 1wdm s LEU 3 CO 0.00 -0.16 1.08 0.20 0.23 0.00 0.00 176.35 177.70 1wdm s ASN 4 N 1.46 6.35 0.57 2.29 0.02 -1.26 -4.91 114.94 119.45 1wdm s ASN 4 Ca 0.16 2.07 0.30 0.00 -1.02 0.00 0.00 52.86 54.37 1wdm s ASN 4 Cb -0.15 -2.58 1.46 0.00 0.02 0.00 0.00 41.25 40.00 1wdm s ASN 4 CO 0.09 -0.78 1.88 -0.65 0.02 0.00 0.00 177.10 177.66 1wdm h PRO 5 N 1.89 0.00 -0.36 -0.60 0.11 -1.97 -1.14 132.00 129.94 1wdm h PRO 5 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1wdm h PRO 5 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1wdm h PRO 5 CO 0.60 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.93 1wdm n ARG 6 N -3.94 2.41 -1.94 1.05 5.12 -1.26 -2.33 116.66 115.78 1wdm n ARG 6 Ca 0.13 -2.13 -0.36 0.00 -1.93 0.00 0.00 57.85 53.56 1wdm n ARG 6 Cb 0.80 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 30.64 1wdm n ARG 6 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1wdm s ASP 7 N -1.50 5.06 -0.40 0.55 1.01 -0.43 -4.02 116.67 116.94 1wdm s ASP 7 Ca 0.38 2.47 -0.22 0.00 0.71 0.00 0.00 52.55 55.89 1wdm s ASP 7 Cb 0.22 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.56 1wdm s ASP 7 CO 0.31 -1.69 0.72 -0.69 0.21 0.00 0.00 175.17 174.03 1wdm s VAL 8 N -1.52 4.77 -0.11 -1.27 1.01 -1.26 -0.48 120.40 121.53 1wdm s VAL 8 Ca 0.78 0.56 -0.01 0.00 0.00 0.00 0.00 61.98 63.31 1wdm s VAL 8 Cb -0.33 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 1wdm s VAL 8 CO 0.36 -0.50 -0.06 -0.69 0.00 0.00 0.00 175.10 174.21 1wdm s VAL 9 N 3.00 3.76 -0.16 2.92 1.01 -0.18 -2.19 120.40 128.55 1wdm s VAL 9 Ca 0.28 -0.43 -0.19 0.00 0.00 0.00 0.00 61.98 61.64 1wdm s VAL 9 Cb -0.13 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1wdm s VAL 9 CO 0.18 0.55 0.53 -0.63 0.00 0.00 0.00 175.10 175.73 1wdm s ILE 10 N -0.21 5.12 -0.05 2.22 1.09 -0.91 -1.54 121.20 126.93 1wdm s ILE 10 Ca 0.03 1.01 0.07 0.00 -1.10 0.00 0.00 60.65 60.66 1wdm s ILE 10 Cb -0.13 -3.86 -0.24 0.00 -1.06 0.00 0.00 42.46 37.17 1wdm s ILE 10 CO 0.03 0.22 0.65 0.58 -0.10 0.00 0.00 174.94 176.32 1wdm h VAL 11 N 4.97 0.87 -2.01 2.92 2.07 -1.04 0.03 116.25 124.05 1wdm h VAL 11 Ca -0.36 -2.67 0.21 0.00 0.82 0.00 0.00 66.70 64.70 1wdm h VAL 11 Cb 1.16 2.49 -0.12 0.00 -1.52 0.00 0.00 31.29 33.30 1wdm h VAL 11 CO 0.75 0.62 0.61 -0.62 0.02 0.00 0.00 177.57 178.95 1wdm s ASP 12 N -6.40 -0.18 -0.08 0.57 3.68 -1.23 -4.51 116.67 108.52 1wdm s ASP 12 Ca -0.08 -0.21 -0.04 0.00 2.13 0.00 0.00 52.55 54.34 1wdm s ASP 12 Cb 0.08 0.35 0.04 0.00 -1.45 0.00 0.00 42.92 41.93 1wdm s ASP 12 CO 0.82 -0.63 0.19 0.12 0.13 0.00 0.00 175.17 175.80 1wdm s PHE 13 N -2.95 -0.24 -0.06 -5.34 5.36 -1.26 -2.85 117.98 110.64 1wdm s PHE 13 Ca 0.11 0.61 -0.04 0.00 -0.96 0.00 0.00 56.93 56.65 1wdm s PHE 13 Cb 0.00 -0.00 0.03 0.00 -0.34 0.00 0.00 43.02 42.71 1wdm s PHE 13 CO -0.02 -0.18 0.15 0.20 -1.46 0.00 0.00 175.22 173.90 1wdm s GLY 14 N 1.02 -0.07 0.14 13.12 0.00 -0.73 -4.64 107.32 116.15 1wdm s GLY 14 Ca -0.08 0.57 0.06 0.00 0.00 0.00 0.00 44.72 45.27 1wdm s GLY 14 CO -0.06 0.71 -0.14 1.09 0.00 0.00 0.00 173.10 174.70 1wdm s ARG 15 N 0.68 1.09 0.49 2.90 1.70 -0.43 -0.53 118.95 124.86 1wdm s ARG 15 Ca -0.05 -1.32 -0.10 0.00 -0.47 0.00 0.00 55.73 53.79 1wdm s ARG 15 Cb -0.07 -0.97 -0.05 0.00 -0.57 0.00 0.00 34.95 33.29 1wdm s ARG 15 CO -0.03 0.18 0.87 0.95 -1.08 0.00 0.00 175.30 176.19 1wdm s THR 16 N -2.30 4.75 -0.44 4.99 -4.23 -0.64 -1.05 115.64 116.72 1wdm s THR 16 Ca 0.12 0.69 -0.27 0.00 -1.18 0.00 0.00 61.69 61.04 1wdm s THR 16 Cb -0.04 -3.79 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 1wdm s THR 16 CO 0.04 -0.77 1.92 -2.84 -0.54 0.00 0.00 174.62 172.43 1wdm s PRO 17 N -4.40 2.92 -0.08 3.99 0.02 -1.26 -4.73 135.00 131.46 1wdm s PRO 17 Ca 0.53 1.17 -0.39 0.00 0.02 0.00 0.00 61.00 62.32 1wdm s PRO 17 Cb -0.10 -4.32 -0.18 0.00 0.02 0.00 0.00 34.50 29.92 1wdm s PRO 17 CO 0.40 -2.36 1.39 -1.33 -0.33 0.00 0.00 177.00 174.77 1wdm n MET 18 N 8.78 0.75 -4.47 5.54 2.81 -1.26 -4.83 117.12 124.44 1wdm n MET 18 Ca 0.24 0.27 -0.24 0.00 -1.81 0.00 0.00 57.70 56.17 1wdm n MET 18 Cb 0.50 -1.88 -0.10 0.00 -0.71 0.00 0.00 33.22 31.03 1wdm n MET 18 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1wdm s GLY 19 N 1.31 1.92 -0.08 3.03 0.00 -1.09 -2.39 107.32 110.02 1wdm s GLY 19 Ca 0.91 -1.92 -0.30 0.00 0.00 0.00 0.00 44.72 43.41 1wdm s GLY 19 CO 0.57 -1.94 1.09 0.50 0.00 0.00 0.00 173.10 173.31 1wdm s ARG 20 N -3.59 4.40 0.28 2.90 0.52 -1.26 -2.19 118.95 120.01 1wdm s ARG 20 Ca 0.30 1.51 -0.02 0.00 -0.52 0.00 0.00 55.73 57.00 1wdm s ARG 20 Cb -0.01 -3.54 0.40 0.00 0.52 0.00 0.00 34.95 32.32 1wdm s ARG 20 CO 0.14 -0.37 1.87 0.77 0.02 0.00 0.00 175.30 177.73 1wdm h SER 21 N 7.23 0.85 -1.07 0.23 0.02 -1.89 0.80 113.55 119.72 1wdm h SER 21 Ca -0.32 -0.11 -0.61 0.00 -0.84 0.00 0.00 61.79 59.91 1wdm h SER 21 Cb 1.15 -0.22 -0.10 0.00 0.14 0.00 0.00 62.40 63.38 1wdm h SER 21 CO 0.86 0.75 1.60 -0.54 -1.14 0.00 0.00 176.83 178.37 1wdm s LYS 22 N -5.45 3.65 -1.03 3.45 3.01 -1.26 -4.07 119.74 118.04 1wdm s LYS 22 Ca -0.10 -1.25 -0.06 0.00 -1.01 0.00 0.00 55.97 53.55 1wdm s LYS 22 Cb 0.16 -5.39 0.01 0.00 -1.01 0.00 0.00 37.83 31.60 1wdm s LYS 22 CO 0.80 -2.22 0.89 0.41 0.51 0.00 0.00 175.35 175.74 1wdm n GLY 23 N 6.66 -0.21 0.00 -3.33 0.00 -1.26 -5.03 105.19 102.03 1wdm n GLY 23 Ca 0.35 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1wdm n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wdm n GLY 24 N -1.56 0.83 0.14 -0.02 0.00 0.27 -4.87 105.19 99.98 1wdm n GLY 24 Ca -0.04 -1.89 0.13 0.00 0.00 0.00 0.00 46.02 44.22 1wdm n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wdm h MET 25 N 0.00 0.00 -0.36 1.61 -0.00 -1.74 -3.03 114.93 111.42 1wdm h MET 25 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1wdm h MET 25 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1wdm h MET 25 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.91 177.63 1wdm n HIS 26 N -2.37 0.47 0.15 -0.10 8.25 -1.26 -2.64 115.22 117.71 1wdm n HIS 26 Ca 0.03 -0.42 0.18 0.00 -0.26 0.00 0.00 57.72 57.25 1wdm n HIS 26 Cb 0.32 -0.02 0.78 0.00 1.12 0.00 0.00 29.99 32.19 1wdm n HIS 26 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1wdm h ARG 27 N 2.47 0.00 -0.30 -0.41 0.11 -1.82 -0.78 114.38 113.65 1wdm h ARG 27 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1wdm h ARG 27 Cb 0.75 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.83 1wdm h ARG 27 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 1wdm n ASN 28 N -3.86 2.80 -4.51 0.08 3.02 -1.26 -4.96 115.26 106.56 1wdm n ASN 28 Ca 0.04 -1.90 -0.34 0.00 -0.03 0.00 0.00 54.58 52.35 1wdm n ASN 28 Cb 0.45 -0.20 -0.12 0.00 -0.61 0.00 0.00 39.78 39.30 1wdm n ASN 28 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wdm s THR 29 N -1.00 4.13 0.72 3.41 2.01 -0.30 -5.10 115.64 119.51 1wdm s THR 29 Ca 0.23 -0.26 -0.12 0.00 0.31 0.00 0.00 61.69 61.84 1wdm s THR 29 Cb 0.12 -2.84 0.03 0.00 0.01 0.00 0.00 72.50 69.82 1wdm s THR 29 CO 0.16 0.46 1.09 -0.13 -0.69 0.00 0.00 174.62 175.52 1wdm s ARG 30 N 0.61 2.57 0.18 4.92 0.52 -1.26 -4.92 118.95 121.57 1wdm s ARG 30 Ca -0.00 1.23 -0.09 0.00 -0.52 0.00 0.00 55.73 56.34 1wdm s ARG 30 Cb -0.14 -1.93 0.07 0.00 0.52 0.00 0.00 34.95 33.47 1wdm s ARG 30 CO 0.02 -1.41 1.63 0.00 0.02 0.00 0.00 175.30 175.56 1wdm h ALA 31 N -0.60 0.82 0.22 2.13 0.00 -1.95 -1.74 119.26 118.13 1wdm h ALA 31 Ca -0.45 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 1wdm h ALA 31 Cb 1.23 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1wdm h ALA 31 CO 0.53 0.67 -0.11 0.93 0.00 0.00 0.00 179.25 181.28 1wdm h GLU 32 N 0.95 -0.28 0.00 0.00 5.08 -1.93 -1.33 114.58 117.07 1wdm h GLU 32 Ca 0.16 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1wdm h GLU 32 Cb 0.61 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1wdm h GLU 32 CO 0.04 0.04 -0.03 -0.44 -1.00 0.00 0.00 179.01 177.62 1wdm h ASP 33 N -0.64 0.00 0.09 1.42 3.32 -1.95 0.60 116.42 119.27 1wdm h ASP 33 Ca -0.03 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.80 1wdm h ASP 33 Cb 0.46 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.03 1wdm h ASP 33 CO 0.05 0.03 -0.91 -0.03 -1.72 0.00 0.00 179.24 176.66 1wdm h MET 34 N 0.00 0.45 0.01 3.56 4.05 -1.14 -2.65 114.93 119.21 1wdm h MET 34 Ca -0.00 -0.61 -0.00 0.00 -0.28 0.00 0.00 59.70 58.81 1wdm h MET 34 Cb 0.16 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1wdm h MET 34 CO 0.00 1.25 -0.00 0.77 0.23 0.00 0.00 176.91 179.16 1wdm h SER 35 N -0.05 -0.01 -0.85 1.39 0.02 -0.10 -2.01 113.55 111.94 1wdm h SER 35 Ca -0.14 -0.61 0.11 0.00 -0.84 0.00 0.00 61.79 60.32 1wdm h SER 35 Cb 1.64 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 64.12 1wdm h SER 35 CO 0.17 0.61 0.55 0.00 -1.14 0.00 0.00 176.83 177.02 1wdm h ALA 36 N 0.35 1.76 0.49 3.77 0.00 0.03 -1.59 119.26 124.08 1wdm h ALA 36 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1wdm h ALA 36 Cb 0.61 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1wdm h ALA 36 CO 0.00 0.04 -0.24 1.25 0.00 0.00 0.00 179.25 180.31 1wdm h HIS 37 N 0.75 -0.62 -0.85 0.00 2.76 -1.47 -2.16 115.15 113.56 1wdm h HIS 37 Ca 0.41 -0.01 0.20 0.00 -2.20 0.00 0.00 60.37 58.76 1wdm h HIS 37 Cb 0.54 0.20 -0.15 0.00 1.55 0.00 0.00 27.41 29.55 1wdm h HIS 37 CO -0.00 -0.38 -0.03 1.25 -1.30 0.00 0.00 177.93 177.47 1wdm h LEU 38 N -1.02 -0.47 -0.54 0.26 5.85 -1.13 0.14 115.31 118.39 1wdm h LEU 38 Ca -0.07 0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1wdm h LEU 38 Cb 0.51 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1wdm h LEU 38 CO 0.11 -0.25 0.28 0.40 -0.34 0.00 0.00 178.44 178.64 1wdm h ILE 39 N 0.06 1.19 -0.31 4.05 2.04 -1.34 -1.66 117.51 121.54 1wdm h ILE 39 Ca 0.47 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1wdm h ILE 39 Cb 0.86 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1wdm h ILE 39 CO -0.78 0.21 0.16 -1.28 0.00 0.00 0.00 178.15 176.46 1wdm h SER 40 N 0.73 0.24 -0.31 1.72 0.87 -0.09 -2.20 113.55 114.50 1wdm h SER 40 Ca 0.19 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1wdm h SER 40 Cb 0.08 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1wdm h SER 40 CO -0.03 0.18 0.07 0.11 -0.53 0.00 0.00 176.83 176.63 1wdm h LYS 41 N 0.33 0.50 -0.85 2.24 1.79 -1.03 -1.97 116.57 117.58 1wdm h LYS 41 Ca 0.13 -0.12 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 1wdm h LYS 41 Cb 0.04 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.58 1wdm h LYS 41 CO -0.09 0.58 0.56 0.28 -1.08 0.00 0.00 179.45 179.70 1wdm h VAL 42 N 0.34 1.14 -0.33 0.50 2.07 -1.19 -1.56 116.25 117.22 1wdm h VAL 42 Ca 0.10 -0.36 -0.13 0.00 0.82 0.00 0.00 66.70 67.12 1wdm h VAL 42 Cb 0.31 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1wdm h VAL 42 CO 0.00 0.19 -0.33 -0.07 0.02 0.00 0.00 177.57 177.38 1wdm h LEU 43 N 1.06 0.77 -1.89 2.57 3.38 -1.24 -2.82 115.31 117.14 1wdm h LEU 43 Ca 0.34 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1wdm h LEU 43 Cb 0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1wdm h LEU 43 CO -0.10 1.03 -0.13 -0.33 0.09 0.00 0.00 178.44 179.00 1wdm h GLU 44 N 0.62 0.00 -0.17 1.13 5.08 -0.51 -2.49 114.58 118.23 1wdm h GLU 44 Ca 0.07 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 1wdm h GLU 44 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1wdm h GLU 44 CO 0.07 0.13 -0.67 0.00 -1.00 0.00 0.00 179.01 177.55 1wdm h ARG 45 N 0.00 0.67 -3.37 2.33 3.08 -1.15 -3.35 114.38 112.59 1wdm h ARG 45 Ca -0.00 -0.49 -0.72 0.00 0.07 0.00 0.00 59.98 58.83 1wdm h ARG 45 Cb 0.30 0.08 -0.34 0.00 0.08 0.00 0.00 29.97 30.10 1wdm h ARG 45 CO 0.02 1.11 0.02 -0.80 -1.07 0.00 0.00 179.97 179.24 1wdm s ASN 46 N -7.00 6.26 0.54 7.04 0.01 -0.94 -4.90 114.94 115.96 1wdm s ASN 46 Ca -0.09 -3.70 0.32 0.00 -0.71 0.00 0.00 52.86 48.69 1wdm s ASN 46 Cb 0.10 -1.97 1.45 0.00 0.41 0.00 0.00 41.25 41.24 1wdm s ASN 46 CO 0.87 -0.20 2.02 0.77 -1.51 0.00 0.00 177.10 179.05 1wdm h SER 47 N 6.14 0.00 0.51 -1.22 4.64 -1.71 -2.98 113.55 118.94 1wdm h SER 47 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1wdm h SER 47 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1wdm h SER 47 CO 0.89 0.07 0.00 0.11 -0.87 0.00 0.00 176.83 177.02 1wdm h LYS 48 N 0.00 0.00 -5.03 4.77 1.57 -1.90 -3.40 116.57 112.58 1wdm h LYS 48 Ca -0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 1wdm h LYS 48 Cb 0.45 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.61 1wdm h LYS 48 CO 0.01 0.00 -0.37 0.14 -0.57 0.00 0.00 179.45 178.66 1wdm s VAL 49 N -3.59 5.24 -0.26 0.50 -7.23 -1.13 -5.02 120.40 108.92 1wdm s VAL 49 Ca 0.00 0.37 -0.29 0.00 -1.81 0.00 0.00 61.98 60.26 1wdm s VAL 49 Cb 0.09 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.42 1wdm s VAL 49 CO 0.38 0.20 1.11 -0.62 -0.31 0.00 0.00 175.10 175.86 1wdm s ASP 50 N 1.70 6.98 0.61 4.85 2.15 -1.26 -4.90 116.67 126.80 1wdm s ASP 50 Ca 0.11 1.30 0.29 0.00 0.43 0.00 0.00 52.55 54.69 1wdm s ASP 50 Cb -0.16 -2.54 1.58 0.00 -0.30 0.00 0.00 42.92 41.50 1wdm s ASP 50 CO 0.10 -0.79 1.96 -0.65 -0.17 0.00 0.00 175.17 175.62 1wdm h PRO 51 N 7.96 0.00 0.00 4.34 0.11 -1.94 0.21 132.00 142.68 1wdm h PRO 51 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1wdm h PRO 51 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1wdm h PRO 51 CO 1.00 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.57 1wdm h GLY 52 N 0.00 0.00 0.53 -0.55 0.00 -1.90 -2.47 103.07 98.68 1wdm h GLY 52 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1wdm h GLY 52 CO -0.00 0.00 -0.23 1.18 0.00 0.00 0.00 176.54 177.49 1wdm n GLU 53 N -2.68 0.70 -1.61 4.80 1.02 0.73 -4.82 120.64 118.79 1wdm n GLU 53 Ca 0.00 -0.37 -0.17 0.00 -0.02 0.00 0.00 57.16 56.60 1wdm n GLU 53 Cb 0.20 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.07 1wdm n GLU 53 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wdm s VAL 54 N -2.55 3.04 0.30 2.62 1.01 -0.93 -4.18 120.40 119.72 1wdm s VAL 54 Ca 0.24 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.23 1wdm s VAL 54 Cb 0.19 -3.10 0.30 0.00 0.00 0.00 0.00 36.38 33.77 1wdm s VAL 54 CO 0.52 -0.09 1.84 -0.33 0.00 0.00 0.00 175.10 177.03 1wdm h GLU 55 N 13.45 0.86 -1.96 2.72 4.39 -1.20 -3.38 114.58 129.47 1wdm h GLU 55 Ca -0.02 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1wdm h GLU 55 Cb 1.03 -0.20 -0.22 0.00 -0.10 0.00 0.00 28.75 29.27 1wdm h GLU 55 CO 1.04 0.57 0.10 0.34 -1.16 0.00 0.00 179.01 179.90 1wdm s ASP 56 N -5.67 -0.83 -0.58 1.42 2.15 -1.26 -2.91 116.67 108.99 1wdm s ASP 56 Ca -0.11 1.43 -0.18 0.00 0.43 0.00 0.00 52.55 54.12 1wdm s ASP 56 Cb 0.23 1.39 0.12 0.00 -0.30 0.00 0.00 42.92 44.35 1wdm s ASP 56 CO 0.80 -0.23 0.62 -0.69 -0.17 0.00 0.00 175.17 175.50 1wdm s VAL 57 N 1.09 5.00 -0.39 1.11 1.01 -0.89 -2.73 120.40 124.59 1wdm s VAL 57 Ca -0.06 -1.24 -0.17 0.00 0.00 0.00 0.00 61.98 60.52 1wdm s VAL 57 Cb -0.05 -4.43 0.01 0.00 0.00 0.00 0.00 36.38 31.91 1wdm s VAL 57 CO -0.11 -1.02 0.42 -0.63 0.00 0.00 0.00 175.10 173.75 1wdm s ILE 58 N 2.18 5.11 0.08 2.22 1.01 -0.67 -1.27 121.20 129.85 1wdm s ILE 58 Ca 0.08 -0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.63 1wdm s ILE 58 Cb -0.26 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1wdm s ILE 58 CO 0.04 -0.30 -0.16 0.86 0.00 0.00 0.00 174.94 175.39 1wdm s TRP 59 N 2.11 2.61 -0.14 3.97 -0.11 -0.35 -2.03 118.94 125.00 1wdm s TRP 59 Ca 0.12 -0.22 -0.05 0.00 1.22 0.00 0.00 56.10 57.17 1wdm s TRP 59 Cb -0.17 -1.43 -0.03 0.00 -1.50 0.00 0.00 33.47 30.34 1wdm s TRP 59 CO 0.13 0.34 0.02 0.20 -4.62 0.00 0.00 176.95 173.02 1wdm s GLY 60 N -1.82 1.85 -0.26 5.86 0.00 -0.57 -0.25 107.32 112.13 1wdm s GLY 60 Ca 0.17 -0.78 -0.20 0.00 0.00 0.00 0.00 44.72 43.92 1wdm s GLY 60 CO 0.09 -0.21 0.67 0.00 0.00 0.00 0.00 173.10 173.64 1wdm n VAL 62 N 3.48 0.00 -1.53 0.00 0.31 -1.26 -4.47 118.33 114.85 1wdm n VAL 62 Ca -0.17 0.41 -0.40 0.00 -0.01 0.00 0.00 64.34 64.17 1wdm n VAL 62 Cb 0.57 -1.33 -0.04 0.00 -0.91 0.00 0.00 33.84 32.13 1wdm n VAL 62 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1wdm n ASN 63 N -2.04 3.03 -3.16 4.52 2.85 -1.26 -4.82 115.26 114.38 1wdm n ASN 63 Ca 0.00 -2.73 -0.26 0.00 -0.11 0.00 0.00 54.58 51.48 1wdm n ASN 63 Cb 0.00 -1.37 -0.02 0.00 1.24 0.00 0.00 39.78 39.62 1wdm n ASN 63 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wdm n GLN 64 N 7.21 2.48 -4.30 1.20 6.02 -1.26 -4.56 117.38 124.17 1wdm n GLN 64 Ca 0.49 -1.61 -0.16 0.00 -0.01 0.00 0.00 57.00 55.71 1wdm n GLN 64 Cb 0.42 -2.51 -0.10 0.00 1.02 0.00 0.00 30.24 29.06 1wdm n GLN 64 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1wdm s THR 65 N 3.00 0.87 0.00 5.09 -1.32 -1.24 -3.85 115.64 118.19 1wdm s THR 65 Ca 0.48 -2.01 0.00 0.00 -1.21 0.00 0.00 61.69 58.94 1wdm s THR 65 Cb 0.13 -2.29 0.00 0.00 -1.51 0.00 0.00 72.50 68.83 1wdm s THR 65 CO -0.04 -0.35 0.00 0.18 -2.21 0.00 0.00 174.62 172.20 1wdm n LEU 66 N -0.36 0.00 -0.34 9.08 4.77 -1.26 -1.18 117.00 127.70 1wdm n LEU 66 Ca -0.05 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.03 1wdm n LEU 66 Cb 0.64 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 42.01 1wdm n LEU 66 CO 0.36 0.00 1.18 -0.33 -1.33 0.00 0.00 177.39 177.26 1wdm h GLU 67 N 0.00 0.76 -0.67 3.23 5.08 -1.94 -0.93 114.58 120.11 1wdm h GLU 67 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1wdm h GLU 67 Cb 0.00 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1wdm h GLU 67 CO 0.00 0.50 0.00 1.04 -1.00 0.00 0.00 179.01 179.55 1wdm n GLN 68 N -4.76 2.83 -2.96 2.33 6.02 -0.33 -4.67 117.38 115.84 1wdm n GLN 68 Ca 0.21 -1.67 -0.19 0.00 -0.01 0.00 0.00 57.00 55.33 1wdm n GLN 68 Cb 0.49 -1.76 0.02 0.00 1.02 0.00 0.00 30.24 30.01 1wdm n GLN 68 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1wdm s GLY 69 N -0.59 1.84 -1.15 1.08 0.00 -0.35 -3.58 107.32 104.56 1wdm s GLY 69 Ca 0.29 -1.49 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 1wdm s GLY 69 CO 0.12 -1.30 0.97 0.79 0.00 0.00 0.00 173.10 173.67 1wdm n TRP 70 N -1.98 -2.21 -3.23 1.90 7.02 -1.26 -3.92 117.44 113.75 1wdm n TRP 70 Ca 0.06 0.91 -0.09 0.00 -1.02 0.00 0.00 57.50 57.36 1wdm n TRP 70 Cb 0.59 -4.83 0.00 0.00 -2.42 0.00 0.00 31.31 24.65 1wdm n TRP 70 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1wdm n ASN 71 N -3.12 -7.02 0.20 -0.99 5.15 -1.26 -4.78 115.26 103.45 1wdm n ASN 71 Ca -0.24 -0.22 0.14 0.00 -0.60 0.00 0.00 54.58 53.66 1wdm n ASN 71 Cb 0.66 -4.29 0.73 0.00 -0.53 0.00 0.00 39.78 36.35 1wdm n ASN 71 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 1wdm h ILE 72 N 0.54 0.00 -0.74 -1.44 2.10 -1.80 -2.23 117.51 113.94 1wdm h ILE 72 Ca -0.18 0.00 0.01 0.00 1.08 0.00 0.00 64.86 65.77 1wdm h ILE 72 Cb 1.11 0.60 -0.04 0.00 -1.09 0.00 0.00 36.82 37.40 1wdm h ILE 72 CO 0.30 0.00 0.49 0.00 -1.08 0.00 0.00 178.15 177.86 1wdm h ALA 73 N 2.00 0.94 0.07 0.18 0.00 -1.87 -1.72 119.26 118.86 1wdm h ALA 73 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 1wdm h ALA 73 Cb 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.51 1wdm h ALA 73 CO 0.00 0.35 -1.12 -0.09 0.00 0.00 0.00 179.25 178.39 1wdm h ARG 74 N 1.00 0.44 -0.63 0.00 9.65 -1.66 -2.32 114.38 120.86 1wdm h ARG 74 Ca 0.27 -0.58 0.06 0.00 -1.10 0.00 0.00 59.98 58.64 1wdm h ARG 74 Cb -0.11 0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 28.62 1wdm h ARG 74 CO -0.06 1.23 0.42 0.52 2.80 0.00 0.00 179.97 184.87 1wdm h MET 75 N 0.21 0.59 0.02 0.20 2.86 -1.45 -0.79 114.93 116.57 1wdm h MET 75 Ca -0.13 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1wdm h MET 75 Cb 1.79 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.32 1wdm h MET 75 CO 0.20 0.39 -0.10 0.00 1.06 0.00 0.00 176.91 178.46 1wdm h ALA 76 N 1.66 -0.01 -0.34 6.32 0.00 -1.33 -3.31 119.26 122.26 1wdm h ALA 76 Ca 0.27 -0.51 0.10 0.00 0.00 0.00 0.00 54.91 54.77 1wdm h ALA 76 Cb 0.29 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1wdm h ALA 76 CO -0.08 0.04 0.34 1.03 0.00 0.00 0.00 179.25 180.58 1wdm h SER 77 N -0.90 0.00 1.09 0.00 0.87 -1.00 0.17 113.55 113.78 1wdm h SER 77 Ca -0.02 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 1wdm h SER 77 Cb 1.06 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 1wdm h SER 77 CO 0.02 0.00 -0.50 -0.07 -0.53 0.00 0.00 176.83 175.74 1wdm h LEU 78 N 0.00 0.00 -3.62 2.23 3.38 -1.24 -3.07 115.31 112.99 1wdm h LEU 78 Ca 0.16 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1wdm h LEU 78 Cb 0.85 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 1wdm h LEU 78 CO -0.00 0.50 0.11 0.23 0.09 0.00 0.00 178.44 179.37 1wdm n MET 79 N -3.41 4.46 -4.03 1.13 2.81 0.03 -4.93 117.12 113.20 1wdm n MET 79 Ca 0.01 -3.11 -0.25 0.00 -1.81 0.00 0.00 57.70 52.54 1wdm n MET 79 Cb 0.65 -2.25 -0.05 0.00 -0.71 0.00 0.00 33.22 30.86 1wdm n MET 79 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1wdm n THR 80 N 0.34 0.00 1.82 2.03 -1.04 -1.15 -4.83 114.28 111.45 1wdm n THR 80 Ca 0.33 -1.85 0.11 0.00 -2.04 0.00 0.00 64.05 60.60 1wdm n THR 80 Cb 1.27 0.34 0.59 0.00 -1.82 0.00 0.00 70.33 70.71 1wdm n THR 80 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wdm n GLN 81 N -1.01 1.18 -2.23 -2.82 0.00 -1.26 -4.78 117.38 106.45 1wdm n GLN 81 Ca -0.15 -0.26 -0.43 0.00 0.00 0.00 0.00 57.00 56.15 1wdm n GLN 81 Cb 0.50 -1.36 -0.02 0.00 0.00 0.00 0.00 30.24 29.36 1wdm n GLN 81 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1wdm s ILE 82 N -1.96 3.89 0.96 -0.39 -1.09 -1.26 -4.70 121.20 116.64 1wdm s ILE 82 Ca 0.33 1.03 -0.13 0.00 -2.23 0.00 0.00 60.65 59.65 1wdm s ILE 82 Cb 0.16 -3.83 0.06 0.00 -1.58 0.00 0.00 42.46 37.26 1wdm s ILE 82 CO 0.26 -0.28 0.49 -2.65 -1.23 0.00 0.00 174.94 171.53 1wdm n PRO 83 N 7.32 -0.39 0.26 2.79 -0.02 -1.26 -4.69 135.00 139.01 1wdm n PRO 83 Ca 0.17 -0.07 0.16 0.00 -2.02 0.00 0.00 63.50 61.74 1wdm n PRO 83 Cb 0.45 -1.92 0.61 0.00 -0.02 0.00 0.00 33.50 32.62 1wdm n PRO 83 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1wdm h HIS 84 N -1.64 0.00 0.00 6.00 3.86 -1.93 -2.84 115.15 118.60 1wdm h HIS 84 Ca -0.44 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 58.74 1wdm h HIS 84 Cb 1.28 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.75 1wdm h HIS 84 CO 0.39 0.00 -0.14 1.79 0.86 0.00 0.00 177.93 180.83 1wdm h THR 85 N 0.00 0.78 -4.34 2.45 1.35 -1.96 -3.43 112.91 107.75 1wdm h THR 85 Ca 0.00 -0.55 -0.51 0.00 -0.55 0.00 0.00 66.41 64.80 1wdm h THR 85 Cb 0.57 1.33 0.09 0.00 -1.73 0.00 0.00 68.15 68.40 1wdm h THR 85 CO 0.00 0.14 0.38 -0.44 -0.25 0.00 0.00 175.52 175.34 1wdm s SER 86 N -6.47 5.48 0.05 5.36 0.01 -1.07 -5.08 113.70 111.98 1wdm s SER 86 Ca -0.03 1.58 0.00 0.00 1.31 0.00 0.00 55.95 58.81 1wdm s SER 86 Cb 0.14 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.89 1wdm s SER 86 CO 0.62 -1.38 0.01 0.00 0.41 0.00 0.00 173.24 172.90 1wdm n ALA 87 N -3.08 0.01 -3.65 1.44 0.00 -1.15 -4.99 120.51 109.09 1wdm n ALA 87 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 53.44 53.50 1wdm n ALA 87 Cb 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 1wdm n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wdm s ALA 88 N -2.11 -2.45 -0.03 0.00 0.00 -1.26 -2.10 121.76 113.80 1wdm s ALA 88 Ca 0.00 1.82 -0.07 0.00 0.00 0.00 0.00 51.96 53.72 1wdm s ALA 88 Cb -0.00 -1.89 0.01 0.00 0.00 0.00 0.00 23.12 21.24 1wdm s ALA 88 CO 0.00 -0.20 0.15 1.14 0.00 0.00 0.00 175.76 176.85 1wdm s GLN 89 N 0.52 0.33 -0.33 0.00 -2.07 -0.40 -4.64 119.66 113.07 1wdm s GLN 89 Ca -0.00 -0.06 -0.10 0.00 -1.82 0.00 0.00 55.36 53.38 1wdm s GLN 89 Cb -0.04 0.14 0.00 0.00 -1.09 0.00 0.00 33.01 32.03 1wdm s GLN 89 CO -0.13 -0.07 0.17 0.99 -1.32 0.00 0.00 175.29 174.94 1wdm s THR 90 N -0.59 4.59 -0.03 3.63 2.01 -1.26 -1.21 115.64 122.78 1wdm s THR 90 Ca -0.07 -0.57 -0.17 0.00 0.31 0.00 0.00 61.69 61.19 1wdm s THR 90 Cb -0.04 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 1wdm s THR 90 CO 0.01 -0.04 0.47 -0.69 -0.69 0.00 0.00 174.62 173.68 1wdm s VAL 91 N 1.59 5.03 -0.14 3.82 1.01 0.65 -4.91 120.40 127.46 1wdm s VAL 91 Ca 0.04 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 62.97 1wdm s VAL 91 Cb -0.18 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.45 1wdm s VAL 91 CO 0.06 0.47 -0.04 -0.55 0.00 0.00 0.00 175.10 175.05 1wdm s SER 92 N -0.41 2.50 -0.27 3.32 0.15 -1.26 -2.72 113.70 115.01 1wdm s SER 92 Ca 0.26 -0.51 0.21 0.00 0.70 0.00 0.00 55.95 56.61 1wdm s SER 92 Cb -0.17 -0.78 0.50 0.00 -1.71 0.00 0.00 66.02 63.86 1wdm s SER 92 CO 0.13 -0.19 1.08 -1.14 1.20 0.00 0.00 173.24 174.33 1wdm n ARG 93 N 4.96 1.71 0.00 5.44 0.63 -1.26 -4.94 116.66 123.19 1wdm n ARG 93 Ca -0.11 -3.50 0.00 0.00 -0.92 0.00 0.00 57.85 53.33 1wdm n ARG 93 Cb 0.48 -1.57 0.00 0.00 0.45 0.00 0.00 32.46 31.82 1wdm n ARG 93 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1wdm n LEU 94 N -0.51 0.00 -0.33 6.15 4.77 -1.26 -2.48 117.00 123.34 1wdm n LEU 94 Ca 0.09 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.21 1wdm n LEU 94 Cb 0.81 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 42.23 1wdm n LEU 94 CO 0.12 0.00 1.12 0.00 -1.33 0.00 0.00 177.39 177.30 1wdm n GLY 96 N -1.32 -0.68 0.42 0.00 0.00 -1.03 -3.94 105.19 98.64 1wdm n GLY 96 Ca 0.24 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 1wdm n GLY 96 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wdm h SER 97 N 0.45 -1.68 -0.98 1.61 0.02 -1.21 -1.49 113.55 110.28 1wdm h SER 97 Ca 0.00 0.24 0.19 0.00 -0.84 0.00 0.00 61.79 61.39 1wdm h SER 97 Cb 0.10 0.72 -0.09 0.00 0.14 0.00 0.00 62.40 63.26 1wdm h SER 97 CO 0.00 -0.37 0.61 -1.28 -1.14 0.00 0.00 176.83 174.65 1wdm h SER 98 N -0.32 0.67 0.59 3.07 0.87 -1.76 -1.38 113.55 115.29 1wdm h SER 98 Ca 0.12 0.08 -0.22 0.00 -1.23 0.00 0.00 61.79 60.54 1wdm h SER 98 Cb 0.58 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1wdm h SER 98 CO -0.63 0.25 -0.97 -0.03 -0.53 0.00 0.00 176.83 174.92 1wdm h MET 99 N 0.66 0.23 -0.35 2.24 -1.53 -1.53 -3.13 114.93 111.51 1wdm h MET 99 Ca 0.54 -0.28 -0.06 0.00 -3.44 0.00 0.00 59.70 56.46 1wdm h MET 99 Cb 0.98 0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 32.10 1wdm h MET 99 CO -0.31 1.03 -0.04 0.77 0.14 0.00 0.00 176.91 178.51 1wdm h SER 100 N 0.11 0.54 0.06 1.39 0.02 -0.31 -2.09 113.55 113.27 1wdm h SER 100 Ca -0.06 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1wdm h SER 100 Cb 1.63 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 64.01 1wdm h SER 100 CO 0.15 0.64 -0.14 0.00 -1.14 0.00 0.00 176.83 176.35 1wdm h ALA 101 N 1.43 -0.21 -0.71 3.77 0.00 -1.30 0.24 119.26 122.47 1wdm h ALA 101 Ca 0.11 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1wdm h ALA 101 Cb 0.41 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 1wdm h ALA 101 CO 0.02 -0.65 0.25 1.25 0.00 0.00 0.00 179.25 180.12 1wdm h LEU 102 N -0.26 0.21 0.38 0.00 5.85 -1.40 -1.41 115.31 118.68 1wdm h LEU 102 Ca 0.03 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1wdm h LEU 102 Cb 0.29 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1wdm h LEU 102 CO -0.09 0.08 -0.18 0.45 -0.34 0.00 0.00 178.44 178.36 1wdm h HIS 103 N 0.40 -0.48 -0.62 1.25 3.86 -0.67 -1.49 115.15 117.41 1wdm h HIS 103 Ca 0.38 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.71 1wdm h HIS 103 Cb 0.57 0.16 -0.12 0.00 1.06 0.00 0.00 27.41 29.08 1wdm h HIS 103 CO -0.19 -0.22 -0.14 1.15 0.86 0.00 0.00 177.93 179.40 1wdm h THR 104 N -0.65 0.39 0.60 2.45 2.02 0.12 0.82 112.91 118.67 1wdm h THR 104 Ca -0.05 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1wdm h THR 104 Cb 0.47 0.38 0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1wdm h THR 104 CO 0.09 0.00 -0.29 0.00 0.37 0.00 0.00 175.52 175.69 1wdm h ALA 105 N 1.61 -0.80 -0.58 6.16 0.00 -1.23 -1.46 119.26 122.96 1wdm h ALA 105 Ca 0.30 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1wdm h ALA 105 Cb 0.46 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 1wdm h ALA 105 CO -0.63 -0.95 -0.51 0.00 0.00 0.00 0.00 179.25 177.17 1wdm h ALA 106 N -0.40 -0.54 -1.02 0.00 0.00 -0.35 0.90 119.26 117.85 1wdm h ALA 106 Ca -0.08 0.07 0.25 0.00 0.00 0.00 0.00 54.91 55.15 1wdm h ALA 106 Cb 0.62 1.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.41 1wdm h ALA 106 CO 0.13 -0.94 0.66 1.96 0.00 0.00 0.00 179.25 181.06 1wdm h GLN 107 N -0.26 0.41 0.03 0.00 4.20 -0.72 0.11 115.11 118.88 1wdm h GLN 107 Ca 0.14 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1wdm h GLN 107 Cb 0.56 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1wdm h GLN 107 CO -0.70 0.27 -0.01 0.00 -0.67 0.00 0.00 178.83 177.72 1wdm h ALA 108 N 1.62 -0.04 -0.74 3.87 0.00 0.18 -1.88 119.26 122.27 1wdm h ALA 108 Ca 0.58 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.39 1wdm h ALA 108 Cb 1.42 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 1wdm h ALA 108 CO -0.29 -0.37 0.44 0.82 0.00 0.00 0.00 179.25 179.85 1wdm h ILE 109 N -0.34 1.01 -0.50 0.00 2.04 0.16 -1.79 117.51 118.08 1wdm h ILE 109 Ca -0.00 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1wdm h ILE 109 Cb 0.32 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1wdm h ILE 109 CO 0.01 0.15 0.20 0.24 0.00 0.00 0.00 178.15 178.75 1wdm h MET 110 N 0.81 0.75 0.00 2.37 2.86 -0.85 -2.72 114.93 118.15 1wdm h MET 110 Ca 0.33 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1wdm h MET 110 Cb 0.16 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1wdm h MET 110 CO -0.17 0.66 0.00 0.25 1.06 0.00 0.00 176.91 178.71 1wdm n THR 111 N -4.56 0.05 -1.63 2.22 -2.24 -0.72 -4.88 114.28 102.53 1wdm n THR 111 Ca 0.02 0.01 -0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1wdm n THR 111 Cb 0.15 -0.62 -0.00 0.00 -2.10 0.00 0.00 70.33 67.76 1wdm n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wdm n GLY 112 N 0.60 0.38 2.47 3.38 0.00 -1.03 -4.96 105.19 106.04 1wdm n GLY 112 Ca 0.17 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 1wdm n GLY 112 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wdm n ASN 113 N 1.80 5.85 0.00 1.61 3.02 -0.70 -5.00 115.26 121.84 1wdm n ASN 113 Ca -0.01 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.77 1wdm n ASN 113 Cb 0.32 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 1wdm n ASN 113 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wdm n GLY 114 N -0.60 2.71 0.00 7.41 0.00 -1.26 -4.73 105.19 108.72 1wdm n GLY 114 Ca 0.47 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1wdm n GLY 114 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wdm n ASP 115 N 0.00 0.66 -3.60 1.61 8.00 -1.26 -4.58 116.55 117.38 1wdm n ASP 115 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 1wdm n ASP 115 Cb 0.00 0.06 -0.16 0.00 -0.02 0.00 0.00 41.12 41.00 1wdm n ASP 115 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wdm s VAL 116 N -1.13 -0.15 0.30 2.53 1.01 -1.26 -1.71 120.40 119.98 1wdm s VAL 116 Ca 0.00 -0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.04 1wdm s VAL 116 Cb 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1wdm s VAL 116 CO 0.00 -0.18 -0.05 -0.36 0.00 0.00 0.00 175.10 174.51 1wdm s PHE 117 N 2.19 2.54 -0.21 5.22 0.40 0.55 -0.64 117.98 128.01 1wdm s PHE 117 Ca 0.03 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1wdm s PHE 117 Cb -0.15 -1.24 0.05 0.00 0.51 0.00 0.00 43.02 42.19 1wdm s PHE 117 CO -0.09 0.60 -0.07 0.08 0.70 0.00 0.00 175.22 176.44 1wdm s VAL 118 N -2.44 1.53 -0.04 -0.44 1.01 -1.10 -1.08 120.40 117.84 1wdm s VAL 118 Ca 0.32 -1.09 0.05 0.00 0.00 0.00 0.00 61.98 61.27 1wdm s VAL 118 Cb -0.04 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1wdm s VAL 118 CO 0.18 0.02 -0.20 0.68 0.00 0.00 0.00 175.10 175.79 1wdm s VAL 119 N 1.42 2.60 0.00 2.92 -7.23 -0.13 -1.68 120.40 118.30 1wdm s VAL 119 Ca -0.04 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.24 1wdm s VAL 119 Cb -0.18 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.79 1wdm s VAL 119 CO -0.07 0.58 0.00 0.61 -0.31 0.00 0.00 175.10 175.91 1wdm n GLY 120 N 2.41 3.07 3.62 2.32 0.00 -0.86 0.40 105.19 116.16 1wdm n GLY 120 Ca -0.17 -0.67 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 1wdm n GLY 120 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wdm s GLY 121 N -0.01 -0.04 0.13 -0.02 0.00 0.00 -1.51 107.32 105.86 1wdm s GLY 121 Ca 0.00 2.70 0.01 0.00 0.00 0.00 0.00 44.72 47.44 1wdm s GLY 121 CO 0.00 1.51 -0.03 0.54 0.00 0.00 0.00 173.10 175.12 1wdm s VAL 122 N -0.40 0.63 -0.30 1.40 0.11 -0.25 0.05 120.40 121.64 1wdm s VAL 122 Ca 0.04 -1.95 -0.08 0.00 -2.93 0.00 0.00 61.98 57.06 1wdm s VAL 122 Cb -0.03 -1.87 0.19 0.00 -1.53 0.00 0.00 36.38 33.14 1wdm s VAL 122 CO -0.06 -0.70 0.95 -0.70 -3.33 0.00 0.00 175.10 171.26 1wdm s GLU 123 N -3.88 0.24 -0.97 1.54 2.56 -0.93 -3.68 118.70 113.58 1wdm s GLU 123 Ca 0.17 0.29 -0.12 0.00 0.00 0.00 0.00 54.97 55.31 1wdm s GLU 123 Cb 0.06 0.14 0.24 0.00 2.00 0.00 0.00 34.13 36.57 1wdm s GLU 123 CO -0.01 -0.40 0.95 -1.58 -0.56 0.00 0.00 175.26 173.66 1wdm s HIS 124 N 2.93 3.95 -0.99 5.30 5.65 -1.26 -2.75 115.29 128.13 1wdm s HIS 124 Ca 0.18 -2.28 0.15 0.00 0.25 0.00 0.00 55.06 53.36 1wdm s HIS 124 Cb -0.06 -3.86 0.65 0.00 -1.18 0.00 0.00 32.58 28.13 1wdm s HIS 124 CO -0.21 -1.01 1.48 -1.33 -0.65 0.00 0.00 174.74 173.03 1wdm n MET 125 N 3.57 0.00 0.07 2.88 0.00 -1.26 -1.11 117.12 121.28 1wdm n MET 125 Ca 0.19 0.25 -0.21 0.00 0.00 0.00 0.00 57.70 57.93 1wdm n MET 125 Cb 0.44 -1.51 -0.11 0.00 0.00 0.00 0.00 33.22 32.03 1wdm n MET 125 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1wdm h GLY 126 N 2.57 0.71 1.04 3.03 0.00 -1.89 -3.13 103.07 105.39 1wdm h GLY 126 Ca 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 47.33 45.83 1wdm h GLY 126 CO 0.00 1.22 -1.26 0.45 0.00 0.00 0.00 176.54 176.94 1wdm h HIS 127 N 0.31 0.00 -2.24 5.60 3.86 -1.83 -3.41 115.15 117.44 1wdm h HIS 127 Ca -0.16 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.47 1wdm h HIS 127 Cb 1.82 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 29.89 1wdm h HIS 127 CO 0.11 0.43 -0.88 0.28 0.86 0.00 0.00 177.93 178.72 1wdm n VAL 128 N -2.85 0.31 -1.36 2.45 0.31 -0.27 -4.99 118.33 111.94 1wdm n VAL 128 Ca -0.07 -4.34 -0.43 0.00 -0.01 0.00 0.00 64.34 59.50 1wdm n VAL 128 Cb 0.76 -1.97 -0.00 0.00 -0.91 0.00 0.00 33.84 31.72 1wdm n VAL 128 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1wdm n SER 129 N 1.57 -2.08 0.11 4.52 3.41 -1.18 -4.50 113.62 115.47 1wdm n SER 129 Ca 0.25 0.89 0.09 0.00 -0.26 0.00 0.00 58.87 59.83 1wdm n SER 129 Cb 0.47 -0.96 0.43 0.00 -0.26 0.00 0.00 64.21 63.89 1wdm n SER 129 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1wdm n MET 130 N 1.09 0.12 -0.25 4.33 3.85 -1.26 -1.07 117.12 123.93 1wdm n MET 130 Ca 0.12 0.51 0.06 0.00 -1.00 0.00 0.00 57.70 57.40 1wdm n MET 130 Cb 0.38 -1.80 0.18 0.00 -1.05 0.00 0.00 33.22 30.92 1wdm n MET 130 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1wdm n MET 131 N -2.04 2.87 -2.72 3.17 2.81 -1.26 -5.00 117.12 114.95 1wdm n MET 131 Ca 0.00 -2.27 -0.42 0.00 -1.81 0.00 0.00 57.70 53.20 1wdm n MET 131 Cb 0.10 -1.43 -0.03 0.00 -0.71 0.00 0.00 33.22 31.14 1wdm n MET 131 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1wdm s HIS 132 N -1.59 3.58 -0.87 2.03 5.04 -0.23 -4.17 115.29 119.08 1wdm s HIS 132 Ca 0.28 1.61 -0.04 0.00 -1.54 0.00 0.00 55.06 55.37 1wdm s HIS 132 Cb 0.18 -3.13 -0.05 0.00 0.04 0.00 0.00 32.58 29.62 1wdm s HIS 132 CO 0.12 -0.11 0.78 0.41 -2.34 0.00 0.00 174.74 173.60 1wdm n GLY 133 N 3.02 -0.98 3.06 1.59 0.00 -1.26 -4.96 105.19 105.66 1wdm n GLY 133 Ca 0.07 0.47 -0.32 0.00 0.00 0.00 0.00 46.02 46.25 1wdm n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wdm s VAL 134 N -3.27 1.85 -0.46 1.61 1.01 -1.26 -5.08 120.40 114.80 1wdm s VAL 134 Ca 0.32 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1wdm s VAL 134 Cb -0.04 -1.76 0.12 0.00 0.00 0.00 0.00 36.38 34.70 1wdm s VAL 134 CO 0.66 0.40 0.25 -0.62 0.00 0.00 0.00 175.10 175.78 1wdm s ASP 135 N 1.35 5.15 0.16 3.32 2.15 -1.26 -5.07 116.67 122.47 1wdm s ASP 135 Ca 0.03 -2.29 -0.32 0.00 0.43 0.00 0.00 52.55 50.40 1wdm s ASP 135 Cb -0.14 -1.80 -0.11 0.00 -0.30 0.00 0.00 42.92 40.57 1wdm s ASP 135 CO -0.11 -0.47 1.71 -2.84 -0.17 0.00 0.00 175.17 173.29 1wdm s PRO 136 N 0.76 4.16 -0.34 4.34 0.02 -1.26 -4.95 135.00 137.73 1wdm s PRO 136 Ca 0.11 2.52 -0.23 0.00 0.02 0.00 0.00 61.00 63.42 1wdm s PRO 136 Cb -0.22 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.03 1wdm s PRO 136 CO -0.04 -0.74 0.76 1.21 -0.33 0.00 0.00 177.00 177.86 1wdm s ASN 137 N 1.67 6.58 0.39 2.53 2.47 -1.26 -4.94 114.94 122.38 1wdm s ASN 137 Ca 0.75 0.46 0.10 0.00 0.42 0.00 0.00 52.86 54.59 1wdm s ASN 137 Cb -0.46 -2.39 0.88 0.00 -1.45 0.00 0.00 41.25 37.82 1wdm s ASN 137 CO 0.33 -0.66 1.94 -0.65 -3.72 0.00 0.00 177.10 174.34 1wdm h PRO 138 N 8.32 0.58 0.00 0.43 0.11 -2.04 -1.14 132.00 138.27 1wdm h PRO 138 Ca -0.25 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1wdm h PRO 138 Cb 1.10 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1wdm h PRO 138 CO 0.89 0.39 0.00 0.72 -0.21 0.00 0.00 178.00 179.78 1wdm n HIS 139 N -4.49 0.00 -0.03 0.65 8.25 -1.26 -2.03 115.22 116.31 1wdm n HIS 139 Ca 0.12 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.42 1wdm n HIS 139 Cb 0.35 -0.43 -0.09 0.00 1.12 0.00 0.00 29.99 30.94 1wdm n HIS 139 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1wdm h MET 140 N 0.00 0.48 0.00 -0.41 -1.53 -1.57 -3.01 114.93 108.89 1wdm h MET 140 Ca 0.00 -0.38 0.00 0.00 -3.44 0.00 0.00 59.70 55.88 1wdm h MET 140 Cb 0.09 0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.21 1wdm h MET 140 CO 0.00 1.01 0.21 0.77 0.14 0.00 0.00 176.91 179.04 1wdm h SER 141 N 0.06 0.00 0.53 1.39 0.02 -1.52 0.21 113.55 114.23 1wdm h SER 141 Ca -0.03 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.63 1wdm h SER 141 Cb 1.09 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.65 1wdm h SER 141 CO 0.09 0.00 -1.31 0.25 -1.14 0.00 0.00 176.83 174.72 1wdm h LEU 142 N 0.00 0.54 0.00 5.07 5.85 -1.67 -3.37 115.31 121.73 1wdm h LEU 142 Ca 0.00 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1wdm h LEU 142 Cb 0.41 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1wdm h LEU 142 CO 0.00 1.46 -1.58 -1.22 -0.34 0.00 0.00 178.44 176.76 1wdm n TYR 143 N -3.58 0.00 -3.74 1.25 4.02 -0.14 -5.06 117.16 109.91 1wdm n TYR 143 Ca -0.11 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.75 1wdm n TYR 143 Cb 1.05 -0.31 -0.01 0.00 -0.02 0.00 0.00 39.34 40.05 1wdm n TYR 143 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wdm n ALA 144 N -1.95 -0.05 -2.61 -0.72 0.00 0.55 -5.14 120.51 110.59 1wdm n ALA 144 Ca -0.02 -0.41 -0.38 0.00 0.00 0.00 0.00 53.44 52.63 1wdm n ALA 144 Cb 0.38 0.33 -0.10 0.00 0.00 0.00 0.00 19.45 20.05 1wdm n ALA 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wdm s ALA 145 N -1.93 3.56 0.55 0.00 0.00 -1.26 -3.90 121.76 118.77 1wdm s ALA 145 Ca 0.07 -0.97 0.24 0.00 0.00 0.00 0.00 51.96 51.31 1wdm s ALA 145 Cb -0.00 -2.49 1.45 0.00 0.00 0.00 0.00 23.12 22.07 1wdm s ALA 145 CO 0.05 -0.48 2.06 -0.22 0.00 0.00 0.00 175.76 177.17 1wdm h LYS 146 N 8.09 0.00 0.00 0.00 3.64 -1.89 0.79 116.57 127.20 1wdm h LYS 146 Ca -0.35 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.98 1wdm h LYS 146 Cb 1.18 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1wdm h LYS 146 CO 0.60 0.00 -0.21 0.00 -2.27 0.00 0.00 179.45 177.57 1wdm h ALA 147 N 1.79 1.08 0.00 5.00 0.00 -1.98 -2.79 119.26 122.36 1wdm h ALA 147 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wdm h ALA 147 Cb 0.65 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1wdm h ALA 147 CO -0.00 0.26 0.00 0.43 0.00 0.00 0.00 179.25 179.94 1wdm n SER 148 N -3.45 0.00 -0.04 0.00 7.64 0.27 -2.38 113.62 115.65 1wdm n SER 148 Ca -0.00 0.40 -0.13 0.00 1.01 0.00 0.00 58.87 60.14 1wdm n SER 148 Cb 0.39 -0.42 -0.11 0.00 -1.01 0.00 0.00 64.21 63.06 1wdm n SER 148 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1wdm h GLY 149 N 0.75 -0.01 -7.56 0.23 0.00 -1.64 -3.43 103.07 91.41 1wdm h GLY 149 Ca 0.00 0.01 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 1wdm h GLY 149 CO 0.00 -0.01 1.59 1.03 0.00 0.00 0.00 176.54 179.15 1wdm n MET 150 N -4.72 0.95 -0.34 4.80 2.81 -1.00 -4.80 117.12 114.82 1wdm n MET 150 Ca -0.09 -0.04 0.20 0.00 -1.81 0.00 0.00 57.70 55.96 1wdm n MET 150 Cb 0.38 -3.34 0.43 0.00 -0.71 0.00 0.00 33.22 29.97 1wdm n MET 150 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1wdm h MET 151 N 18.92 0.43 -0.85 0.03 2.86 -1.86 -1.29 114.93 133.17 1wdm h MET 151 Ca -0.22 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.41 1wdm h MET 151 Cb 1.26 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.78 1wdm h MET 151 CO 1.17 0.28 0.56 0.78 1.06 0.00 0.00 176.91 180.77 1wdm h GLY 152 N 0.44 1.20 1.64 8.32 0.00 -1.96 -2.55 103.07 110.17 1wdm h GLY 152 Ca 0.69 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 47.48 1wdm h GLY 152 CO -0.55 0.43 -0.25 1.41 0.00 0.00 0.00 176.54 177.58 1wdm h LEU 153 N 1.15 0.42 -1.15 3.11 3.38 -1.56 -1.74 115.31 118.91 1wdm h LEU 153 Ca 0.32 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1wdm h LEU 153 Cb -0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1wdm h LEU 153 CO -0.07 0.67 0.00 0.71 0.09 0.00 0.00 178.44 179.84 1wdm h THR 154 N 0.37 0.00 0.16 0.22 1.35 -1.33 -1.14 112.91 112.55 1wdm h THR 154 Ca 0.06 -0.21 -0.35 0.00 -0.55 0.00 0.00 66.41 65.35 1wdm h THR 154 Cb 0.65 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1wdm h THR 154 CO 0.05 0.00 -1.82 0.00 -0.25 0.00 0.00 175.52 173.50 1wdm h ALA 155 N 2.14 0.25 -0.19 6.62 0.00 -1.16 -3.20 119.26 123.73 1wdm h ALA 155 Ca 0.00 -1.22 0.05 0.00 0.00 0.00 0.00 54.91 53.74 1wdm h ALA 155 Cb 0.28 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1wdm h ALA 155 CO 0.00 1.11 -0.16 0.93 0.00 0.00 0.00 179.25 181.13 1wdm h GLU 156 N 0.07 -0.16 -0.26 0.00 4.39 -0.62 0.57 114.58 118.57 1wdm h GLU 156 Ca -0.37 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.33 1wdm h GLU 156 Cb 2.06 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.74 1wdm h GLU 156 CO 0.14 -0.11 0.13 1.98 -1.16 0.00 0.00 179.01 180.00 1wdm h MET 157 N -0.17 0.37 -0.26 2.33 4.05 -1.45 -1.32 114.93 118.48 1wdm h MET 157 Ca 0.12 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.44 1wdm h MET 157 Cb 0.34 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 1wdm h MET 157 CO -0.29 0.35 -0.03 1.25 0.23 0.00 0.00 176.91 178.42 1wdm h LEU 158 N 0.30 0.37 -0.11 3.39 6.46 -1.50 -1.58 115.31 122.64 1wdm h LEU 158 Ca 0.09 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1wdm h LEU 158 Cb 0.09 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1wdm h LEU 158 CO -0.01 0.46 0.04 1.23 -0.62 0.00 0.00 178.44 179.54 1wdm h GLY 159 N 0.75 0.17 0.83 3.75 0.00 -0.37 -2.13 103.07 106.08 1wdm h GLY 159 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1wdm h GLY 159 CO 0.01 0.09 -0.18 0.50 0.00 0.00 0.00 176.54 176.96 1wdm h LYS 160 N 0.00 -0.49 -0.62 4.80 1.57 -0.99 0.38 116.57 121.22 1wdm h LYS 160 Ca 0.04 0.03 0.18 0.00 -1.87 0.00 0.00 60.65 59.03 1wdm h LYS 160 Cb 0.19 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1wdm h LYS 160 CO -0.00 -0.23 0.52 0.52 -0.57 0.00 0.00 179.45 179.69 1wdm h MET 161 N -0.68 0.00 -0.32 3.15 2.86 -1.32 0.25 114.93 118.86 1wdm h MET 161 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1wdm h MET 161 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1wdm h MET 161 CO 0.09 0.00 0.00 0.72 1.06 0.00 0.00 176.91 178.78 1wdm n HIS 162 N -4.02 0.45 -3.73 -0.22 8.25 -0.80 -5.02 115.22 110.13 1wdm n HIS 162 Ca 0.12 -0.52 -0.32 0.00 -0.26 0.00 0.00 57.72 56.75 1wdm n HIS 162 Cb 0.76 -0.04 0.03 0.00 1.12 0.00 0.00 29.99 31.86 1wdm n HIS 162 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wdm n GLY 163 N 0.40 -1.02 3.64 -1.41 0.00 0.11 -4.96 105.19 101.95 1wdm n GLY 163 Ca 0.11 0.45 -0.37 0.00 0.00 0.00 0.00 46.02 46.21 1wdm n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wdm s ILE 164 N -3.38 5.31 0.41 -0.61 1.09 0.26 -5.01 121.20 119.27 1wdm s ILE 164 Ca 0.39 0.28 -0.14 0.00 -1.10 0.00 0.00 60.65 60.08 1wdm s ILE 164 Cb -0.16 -3.56 -0.08 0.00 -1.06 0.00 0.00 42.46 37.60 1wdm s ILE 164 CO 0.88 0.29 0.83 -0.94 -0.10 0.00 0.00 174.94 175.90 1wdm s SER 165 N 1.31 6.66 0.51 3.58 1.04 -1.26 -4.79 113.70 120.75 1wdm s SER 165 Ca 0.10 1.33 0.20 0.00 0.48 0.00 0.00 55.95 58.06 1wdm s SER 165 Cb -0.15 -2.40 1.28 0.00 0.10 0.00 0.00 66.02 64.85 1wdm s SER 165 CO 0.07 -0.39 2.04 -0.09 0.98 0.00 0.00 173.24 175.86 1wdm h ARG 166 N 1.52 0.08 -0.05 4.02 9.65 -1.95 -0.33 114.38 127.31 1wdm h ARG 166 Ca -0.47 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.38 1wdm h ARG 166 Cb 1.18 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.74 1wdm h ARG 166 CO 0.63 0.05 -0.04 0.93 2.80 0.00 0.00 179.97 184.35 1wdm h GLU 167 N 0.08 0.11 -0.94 0.20 5.08 -1.95 -1.96 114.58 115.20 1wdm h GLU 167 Ca 0.18 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1wdm h GLU 167 Cb 0.60 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 1wdm h GLU 167 CO -0.02 0.53 0.61 1.96 -1.00 0.00 0.00 179.01 181.10 1wdm h GLN 168 N -0.31 1.11 0.51 2.33 4.20 -1.52 -1.20 115.11 120.23 1wdm h GLN 168 Ca 0.01 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1wdm h GLN 168 Cb 0.51 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1wdm h GLN 168 CO 0.01 0.73 -0.24 1.96 -0.67 0.00 0.00 178.83 180.62 1wdm h GLN 169 N 1.14 -0.66 -1.11 1.46 4.20 -1.10 -2.42 115.11 116.62 1wdm h GLN 169 Ca 0.39 0.04 0.31 0.00 0.06 0.00 0.00 58.65 59.45 1wdm h GLN 169 Cb 0.08 0.15 -0.09 0.00 0.30 0.00 0.00 27.48 27.92 1wdm h GLN 169 CO -0.15 -0.44 0.74 -0.44 -0.67 0.00 0.00 178.83 177.87 1wdm h ASP 170 N -0.91 0.32 -0.22 1.46 3.32 -1.29 0.23 116.42 119.32 1wdm h ASP 170 Ca -0.07 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1wdm h ASP 170 Cb 0.52 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1wdm h ASP 170 CO 0.11 0.03 0.07 0.00 -1.72 0.00 0.00 179.24 177.74 1wdm h ALA 171 N 1.57 0.28 -0.02 3.45 0.00 -1.14 -1.40 119.26 122.00 1wdm h ALA 171 Ca 0.62 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.35 1wdm h ALA 171 Cb 1.83 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1wdm h ALA 171 CO -0.24 -0.10 -0.19 0.35 0.00 0.00 0.00 179.25 179.06 1wdm h PHE 172 N 0.18 0.03 0.71 0.00 3.57 -0.11 -2.26 116.94 119.07 1wdm h PHE 172 Ca 0.07 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1wdm h PHE 172 Cb 0.22 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 38.96 1wdm h PHE 172 CO 0.00 0.22 -0.34 0.00 -2.23 0.00 0.00 178.31 175.96 1wdm h ALA 173 N 1.78 -0.98 -0.20 2.41 0.00 -0.59 -1.83 119.26 119.84 1wdm h ALA 173 Ca 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.76 1wdm h ALA 173 Cb 0.36 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1wdm h ALA 173 CO 0.03 -0.91 0.33 0.28 0.00 0.00 0.00 179.25 178.98 1wdm h VAL 174 N -1.23 0.25 -0.04 0.00 2.07 -1.14 0.06 116.25 116.23 1wdm h VAL 174 Ca -0.10 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1wdm h VAL 174 Cb 0.73 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1wdm h VAL 174 CO 0.16 0.00 -0.12 -0.09 0.02 0.00 0.00 177.57 177.54 1wdm h ARG 175 N 0.00 0.15 -0.03 1.57 1.12 -1.10 -2.21 114.38 113.87 1wdm h ARG 175 Ca 0.10 -0.11 0.02 0.00 -1.11 0.00 0.00 59.98 58.88 1wdm h ARG 175 Cb 0.76 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.72 1wdm h ARG 175 CO -0.00 0.74 -0.09 1.03 -3.11 0.00 0.00 179.97 178.54 1wdm h SER 176 N -0.41 -0.26 0.01 -3.80 0.87 -0.14 0.21 113.55 110.03 1wdm h SER 176 Ca -0.00 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1wdm h SER 176 Cb 0.75 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 1wdm h SER 176 CO 0.03 -0.12 -0.13 0.45 -0.53 0.00 0.00 176.83 176.52 1wdm h HIS 177 N -0.13 -0.34 0.14 2.24 3.86 -1.55 -0.13 115.15 119.23 1wdm h HIS 177 Ca 0.05 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1wdm h HIS 177 Cb 0.20 0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.77 1wdm h HIS 177 CO -0.17 -0.20 -0.38 0.37 0.86 0.00 0.00 177.93 178.41 1wdm h GLN 178 N -0.23 -0.60 -0.35 2.45 4.15 -1.13 0.18 115.11 119.58 1wdm h GLN 178 Ca 0.04 0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 1wdm h GLN 178 Cb 0.28 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 1wdm h GLN 178 CO -0.12 -0.40 0.03 -0.07 -1.93 0.00 0.00 178.83 176.33 1wdm h LEU 179 N -0.62 0.49 -0.03 -2.39 3.38 -0.90 0.11 115.31 115.35 1wdm h LEU 179 Ca 0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1wdm h LEU 179 Cb 0.64 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1wdm h LEU 179 CO -0.21 0.55 0.00 0.00 0.09 0.00 0.00 178.44 178.87 1wdm h ALA 180 N 1.52 0.04 -0.43 1.53 0.00 -0.58 -1.20 119.26 120.14 1wdm h ALA 180 Ca 0.11 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1wdm h ALA 180 Cb 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1wdm h ALA 180 CO 0.01 -0.29 0.26 1.25 0.00 0.00 0.00 179.25 180.48 1wdm h HIS 181 N -0.24 0.50 0.19 0.00 -0.00 -0.35 -0.45 115.15 114.80 1wdm h HIS 181 Ca 0.01 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1wdm h HIS 181 Cb 0.32 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.53 1wdm h HIS 181 CO 0.03 0.29 -0.48 -0.22 -0.00 0.00 0.00 177.93 177.56 1wdm h LYS 182 N 0.53 -0.73 -0.76 5.26 3.64 -0.67 -1.08 116.57 122.77 1wdm h LYS 182 Ca 0.17 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.70 1wdm h LYS 182 Cb -0.01 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1wdm h LYS 182 CO -0.07 -0.49 0.50 0.00 -2.27 0.00 0.00 179.45 177.12 1wdm h ALA 183 N -0.44 1.85 0.50 5.00 0.00 -0.98 -1.79 119.26 123.40 1wdm h ALA 183 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1wdm h ALA 183 Cb 0.75 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1wdm h ALA 183 CO -0.23 -0.02 -0.24 1.15 0.00 0.00 0.00 179.25 179.91 1wdm h THR 184 N 0.63 0.51 0.20 0.00 2.02 -0.27 0.86 112.91 116.86 1wdm h THR 184 Ca 0.36 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1wdm h THR 184 Cb 0.53 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1wdm h THR 184 CO -0.13 0.02 -0.48 0.58 0.37 0.00 0.00 175.52 175.88 1wdm h VAL 185 N -0.72 0.00 0.00 3.16 2.07 -0.56 -0.53 116.25 119.66 1wdm h VAL 185 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1wdm h VAL 185 Cb 0.54 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1wdm h VAL 185 CO 0.11 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.08 1wdm n GLU 186 N -5.21 0.23 -2.30 1.57 1.02 -0.74 -4.75 120.64 110.46 1wdm n GLU 186 Ca -0.09 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.92 1wdm n GLU 186 Cb 0.39 -1.06 -0.01 0.00 -0.02 0.00 0.00 31.44 30.74 1wdm n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wdm n GLY 187 N 0.04 -0.28 0.00 0.62 0.00 -0.21 -4.80 105.19 100.57 1wdm n GLY 187 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1wdm n GLY 187 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wdm n LYS 188 N -2.71 0.79 -0.00 1.61 5.02 0.28 -2.09 118.16 121.06 1wdm n LYS 188 Ca -0.15 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.19 1wdm n LYS 188 Cb 0.60 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.04 1wdm n LYS 188 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1wdm n PHE 189 N -1.01 0.00 -0.13 2.13 0.99 -1.24 -4.66 117.46 113.54 1wdm n PHE 189 Ca 0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.60 1wdm n PHE 189 Cb 0.09 -0.06 0.04 0.00 -1.00 0.00 0.00 39.48 38.55 1wdm n PHE 189 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 1wdm h LYS 190 N 0.00 0.09 -0.58 -1.08 1.79 -1.75 -0.11 116.57 114.93 1wdm h LYS 190 Ca 0.00 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.49 1wdm h LYS 190 Cb 0.31 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 1wdm h LYS 190 CO 0.00 0.06 0.38 -0.44 -1.08 0.00 0.00 179.45 178.37 1wdm h ASP 191 N 0.09 0.60 0.26 0.86 3.32 -1.83 -3.21 116.42 116.51 1wdm h ASP 191 Ca 0.21 -0.01 -0.30 0.00 0.02 0.00 0.00 57.03 56.95 1wdm h ASP 191 Cb 0.31 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.67 1wdm h ASP 191 CO -0.37 0.42 -2.02 -1.84 -1.72 0.00 0.00 179.24 173.71 1wdm n GLU 192 N -4.46 0.66 -2.62 3.56 0.28 -1.01 -4.93 120.64 112.12 1wdm n GLU 192 Ca 0.07 0.12 -0.41 0.00 -0.16 0.00 0.00 57.16 56.77 1wdm n GLU 192 Cb 0.12 -1.65 -0.04 0.00 1.43 0.00 0.00 31.44 31.29 1wdm n GLU 192 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1wdm s ILE 193 N -2.62 4.38 -0.31 3.84 1.01 -0.09 -1.32 121.20 126.10 1wdm s ILE 193 Ca -0.07 1.86 -0.08 0.00 0.00 0.00 0.00 60.65 62.36 1wdm s ILE 193 Cb 0.07 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 38.37 1wdm s ILE 193 CO 0.83 0.23 0.11 -0.63 0.00 0.00 0.00 174.94 175.48 1wdm s ILE 194 N 0.42 4.09 0.55 2.92 -1.09 -0.21 -4.88 121.20 123.00 1wdm s ILE 194 Ca 0.51 -0.75 -0.18 0.00 -2.23 0.00 0.00 60.65 58.01 1wdm s ILE 194 Cb -0.25 -3.16 -0.11 0.00 -1.58 0.00 0.00 42.46 37.36 1wdm s ILE 194 CO 0.30 0.00 0.25 -2.65 -1.23 0.00 0.00 174.94 171.61 1wdm n PRO 195 N 4.89 0.29 -3.61 2.79 -0.02 -1.26 -4.40 135.00 133.68 1wdm n PRO 195 Ca -0.14 0.11 -0.15 0.00 -2.02 0.00 0.00 63.50 61.31 1wdm n PRO 195 Cb 0.47 -1.41 -0.07 0.00 -0.02 0.00 0.00 33.50 32.48 1wdm n PRO 195 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1wdm s MET 196 N -1.65 0.89 0.28 -0.52 1.75 -0.97 -4.97 119.30 114.11 1wdm s MET 196 Ca 0.64 0.84 -0.30 0.00 -1.25 0.00 0.00 55.69 55.62 1wdm s MET 196 Cb -0.46 0.43 -0.10 0.00 2.84 0.00 0.00 34.83 37.53 1wdm s MET 196 CO 0.59 -0.15 1.46 -0.65 -0.65 0.00 0.00 175.02 175.63 1wdm s GLN 197 N 0.04 4.23 0.28 4.11 -0.21 -1.26 -1.50 119.66 125.34 1wdm s GLN 197 Ca -0.02 2.39 -0.03 0.00 0.02 0.00 0.00 55.36 57.71 1wdm s GLN 197 Cb -0.04 -3.07 0.01 0.00 1.00 0.00 0.00 33.01 30.92 1wdm s GLN 197 CO 0.03 -0.45 0.42 0.41 -2.12 0.00 0.00 175.29 173.57 1wdm n GLY 198 N 1.82 2.16 2.88 3.09 0.00 0.12 -4.90 105.19 110.36 1wdm n GLY 198 Ca 0.06 -1.51 -0.24 0.00 0.00 0.00 0.00 46.02 44.33 1wdm n GLY 198 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wdm s TYR 199 N -3.44 1.12 1.09 1.61 1.51 -1.08 -1.34 117.35 116.83 1wdm s TYR 199 Ca 0.21 -0.46 -0.17 0.00 -1.01 0.00 0.00 57.07 55.64 1wdm s TYR 199 Cb -0.01 -0.99 0.24 0.00 -0.11 0.00 0.00 41.96 41.09 1wdm s TYR 199 CO 0.15 -0.37 1.18 0.16 -1.11 0.00 0.00 175.55 175.56 1wdm s ASP 200 N 1.48 1.97 0.04 2.29 1.47 -1.03 -4.13 116.67 118.76 1wdm s ASP 200 Ca -0.01 0.56 -0.09 0.00 1.18 0.00 0.00 52.55 54.20 1wdm s ASP 200 Cb -0.13 -0.79 -0.02 0.00 -0.34 0.00 0.00 42.92 41.64 1wdm s ASP 200 CO -0.04 -3.47 0.81 -0.62 0.68 0.00 0.00 175.17 172.53 1wdm n GLU 201 N -4.31 -0.12 0.15 2.11 4.71 -1.26 0.15 120.64 122.06 1wdm n GLU 201 Ca 0.13 0.80 0.10 0.00 -0.01 0.00 0.00 57.16 58.18 1wdm n GLU 201 Cb 0.59 -1.19 0.53 0.00 -1.01 0.00 0.00 31.44 30.36 1wdm n GLU 201 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1wdm n ASN 202 N -3.58 0.51 0.00 1.62 3.02 -1.26 -4.81 115.26 110.76 1wdm n ASN 202 Ca 0.01 0.73 0.00 0.00 -0.03 0.00 0.00 54.58 55.29 1wdm n ASN 202 Cb 0.07 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 1wdm n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wdm n GLY 203 N -1.26 1.03 3.70 7.41 0.00 0.40 -5.06 105.19 111.42 1wdm n GLY 203 Ca -0.01 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1wdm n GLY 203 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wdm s PHE 204 N -2.00 3.57 -0.03 1.61 0.40 -1.25 -4.77 117.98 115.51 1wdm s PHE 204 Ca 0.00 1.57 -0.30 0.00 -0.60 0.00 0.00 56.93 57.60 1wdm s PHE 204 Cb 0.00 -3.11 -0.05 0.00 0.51 0.00 0.00 43.02 40.37 1wdm s PHE 204 CO 0.00 -0.12 1.43 -1.17 0.70 0.00 0.00 175.22 176.06 1wdm s LEU 205 N 1.53 4.30 0.31 -0.37 2.96 -1.26 -2.46 118.68 123.69 1wdm s LEU 205 Ca 0.48 2.08 -0.14 0.00 -0.22 0.00 0.00 54.13 56.34 1wdm s LEU 205 Cb -0.19 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 42.96 1wdm s LEU 205 CO 0.21 -0.76 0.62 -0.54 -1.32 0.00 0.00 176.35 174.56 1wdm s LYS 206 N 2.80 1.86 -0.15 1.98 3.01 -0.45 -4.99 119.74 123.81 1wdm s LYS 206 Ca 0.64 -1.34 -0.08 0.00 -1.01 0.00 0.00 55.97 54.19 1wdm s LYS 206 Cb -0.31 0.54 -0.04 0.00 -1.01 0.00 0.00 37.83 37.01 1wdm s LYS 206 CO 0.25 -0.82 0.13 0.42 0.51 0.00 0.00 175.35 175.84 1wdm s ILE 207 N -3.35 5.43 -0.06 2.17 1.01 -1.26 0.12 121.20 125.26 1wdm s ILE 207 Ca 0.19 0.19 0.02 0.00 0.00 0.00 0.00 60.65 61.05 1wdm s ILE 207 Cb -0.03 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 1wdm s ILE 207 CO 0.11 0.55 -0.10 -0.36 0.00 0.00 0.00 174.94 175.14 1wdm s PHE 208 N -0.49 2.84 -0.00 3.97 0.40 -0.56 -4.93 117.98 119.21 1wdm s PHE 208 Ca 0.12 -0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.41 1wdm s PHE 208 Cb -0.12 -1.67 0.01 0.00 0.51 0.00 0.00 43.02 41.75 1wdm s PHE 208 CO 0.02 0.28 0.85 -0.40 0.70 0.00 0.00 175.22 176.66 1wdm n ASP 209 N 2.22 0.10 -4.01 1.36 5.75 -1.26 -2.29 116.55 118.42 1wdm n ASP 209 Ca -0.17 -1.72 -0.25 0.00 -0.01 0.00 0.00 54.79 52.63 1wdm n ASP 209 Cb 0.53 -0.14 -0.08 0.00 -1.03 0.00 0.00 41.12 40.39 1wdm n ASP 209 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1wdm s TYR 210 N -0.11 1.78 -0.27 2.11 -0.85 -1.26 -4.95 117.35 113.80 1wdm s TYR 210 Ca 0.01 -1.35 -0.05 0.00 -0.52 0.00 0.00 57.07 55.16 1wdm s TYR 210 Cb 0.01 -1.10 0.01 0.00 0.38 0.00 0.00 41.96 41.26 1wdm s TYR 210 CO 0.00 -0.38 0.03 -0.51 -1.52 0.00 0.00 175.55 173.17 1wdm s ASP 211 N -3.58 4.82 0.23 -0.18 1.01 -1.26 -4.49 116.67 113.21 1wdm s ASP 211 Ca 0.25 -0.71 -0.07 0.00 0.71 0.00 0.00 52.55 52.73 1wdm s ASP 211 Cb 0.02 -1.81 0.21 0.00 1.01 0.00 0.00 42.92 42.35 1wdm s ASP 211 CO 0.16 -0.15 1.85 -0.33 0.21 0.00 0.00 175.17 176.91 1wdm h GLU 212 N 8.16 1.25 -0.89 8.23 5.08 -1.79 -3.10 114.58 131.52 1wdm h GLU 212 Ca -0.33 -0.15 0.24 0.00 -1.00 0.00 0.00 59.36 58.13 1wdm h GLU 212 Cb 1.13 -0.25 -0.14 0.00 0.50 0.00 0.00 28.75 29.99 1wdm h GLU 212 CO 0.59 0.91 0.26 1.79 -1.00 0.00 0.00 179.01 181.56 1wdm h THR 213 N 1.26 0.31 -2.32 1.13 1.35 -1.81 -3.42 112.91 109.41 1wdm h THR 213 Ca 0.32 -0.07 -0.57 0.00 -0.55 0.00 0.00 66.41 65.53 1wdm h THR 213 Cb 0.03 0.08 0.05 0.00 -1.73 0.00 0.00 68.15 66.57 1wdm h THR 213 CO -0.05 0.04 0.96 -0.38 -0.25 0.00 0.00 175.52 175.84 1wdm n ILE 214 N -5.22 0.21 -3.59 6.82 5.41 -0.81 -4.86 119.36 117.32 1wdm n ILE 214 Ca 0.22 -0.04 -0.27 0.00 1.00 0.00 0.00 62.75 63.66 1wdm n ILE 214 Cb 0.71 -1.79 -0.10 0.00 -0.71 0.00 0.00 39.64 37.74 1wdm n ILE 214 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1wdm n ARG 215 N 4.67 1.71 0.15 0.38 3.00 -1.26 -4.98 116.66 120.32 1wdm n ARG 215 Ca 0.18 -4.23 0.15 0.00 -0.01 0.00 0.00 57.85 53.95 1wdm n ARG 215 Cb 0.32 -2.07 0.48 0.00 0.00 0.00 0.00 32.46 31.18 1wdm n ARG 215 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1wdm h PRO 216 N 4.86 0.00 -0.97 5.56 0.11 -1.93 -1.81 132.00 137.82 1wdm h PRO 216 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1wdm h PRO 216 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1wdm h PRO 216 CO 0.68 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 1wdm n ASP 217 N -3.04 1.00 -4.69 -2.05 5.75 -1.26 -4.83 116.55 107.43 1wdm n ASP 217 Ca 0.07 -2.01 -0.40 0.00 -0.01 0.00 0.00 54.79 52.44 1wdm n ASP 217 Cb 0.89 -0.49 -0.05 0.00 -1.03 0.00 0.00 41.12 40.45 1wdm n ASP 217 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1wdm s THR 218 N -1.04 4.99 0.03 2.12 2.01 -0.68 -4.96 115.64 118.11 1wdm s THR 218 Ca 0.00 1.44 -0.01 0.00 0.31 0.00 0.00 61.69 63.43 1wdm s THR 218 Cb 0.00 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 1wdm s THR 218 CO 0.00 0.15 -0.02 0.42 -0.69 0.00 0.00 174.62 174.48 1wdm s THR 219 N 1.44 0.14 0.54 -0.82 -4.23 -1.26 -4.86 115.64 106.60 1wdm s THR 219 Ca 0.36 -1.17 0.33 0.00 -1.18 0.00 0.00 61.69 60.02 1wdm s THR 219 Cb -0.17 -0.64 0.51 0.00 1.34 0.00 0.00 72.50 73.53 1wdm s THR 219 CO 0.15 -0.65 1.86 -0.07 -0.54 0.00 0.00 174.62 175.37 1wdm h LEU 220 N 4.18 0.01 -0.77 4.79 3.38 -1.97 0.54 115.31 125.47 1wdm h LEU 220 Ca -0.33 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 1wdm h LEU 220 Cb 1.19 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1wdm h LEU 220 CO 0.49 0.00 -0.33 -0.33 0.09 0.00 0.00 178.44 178.36 1wdm h GLU 221 N 0.01 0.55 0.11 1.13 3.07 -1.99 -2.16 114.58 115.30 1wdm h GLU 221 Ca 0.47 -0.25 -0.29 0.00 -0.50 0.00 0.00 59.36 58.79 1wdm h GLU 221 Cb 1.88 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.77 1wdm h GLU 221 CO -0.01 0.81 -1.45 0.66 -1.40 0.00 0.00 179.01 177.62 1wdm h SER 222 N 0.46 0.37 1.38 1.42 4.64 -0.37 -3.30 113.55 118.15 1wdm h SER 222 Ca 0.05 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1wdm h SER 222 Cb 0.80 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1wdm h SER 222 CO 0.07 1.40 0.00 -0.07 -0.87 0.00 0.00 176.83 177.36 1wdm h LEU 223 N 0.07 0.00 -0.50 5.97 3.38 -1.17 -2.90 115.31 120.15 1wdm h LEU 223 Ca -0.21 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.59 1wdm h LEU 223 Cb 2.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 1wdm h LEU 223 CO 0.17 0.00 -0.73 0.00 0.09 0.00 0.00 178.44 177.97 1wdm h ALA 224 N 2.20 0.73 0.00 1.53 0.00 -1.46 -3.10 119.26 119.16 1wdm h ALA 224 Ca 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 1wdm h ALA 224 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1wdm h ALA 224 CO 0.00 0.85 -0.24 0.00 0.00 0.00 0.00 179.25 179.86 1wdm h ALA 225 N 1.15 1.09 -2.68 0.00 0.00 -1.60 -3.45 119.26 113.77 1wdm h ALA 225 Ca -0.02 -0.22 -0.54 0.00 0.00 0.00 0.00 54.91 54.13 1wdm h ALA 225 Cb 1.29 -0.04 0.18 0.00 0.00 0.00 0.00 17.79 19.22 1wdm h ALA 225 CO 0.11 0.30 0.37 -0.51 0.00 0.00 0.00 179.25 179.52 1wdm s LEU 226 N -7.02 3.21 0.02 0.00 1.43 -1.18 -5.03 118.68 110.11 1wdm s LEU 226 Ca -0.01 2.41 0.05 0.00 -1.03 0.00 0.00 54.13 55.55 1wdm s LEU 226 Cb 0.11 -4.59 -0.03 0.00 0.03 0.00 0.00 46.19 41.71 1wdm s LEU 226 CO 0.64 -2.56 -0.11 -0.54 0.23 0.00 0.00 176.35 174.00 1wdm s LYS 227 N -4.01 2.35 -0.28 1.70 1.02 -1.26 -5.05 119.74 114.20 1wdm s LYS 227 Ca 0.75 -0.84 -0.43 0.00 0.02 0.00 0.00 55.97 55.47 1wdm s LYS 227 Cb -0.30 -2.37 -0.19 0.00 -0.52 0.00 0.00 37.83 34.45 1wdm s LYS 227 CO 0.49 0.57 1.48 -2.30 -0.92 0.00 0.00 175.35 174.67 1wdm n PRO 228 N 1.52 0.32 0.09 -1.68 -0.02 -1.26 -4.43 135.00 129.54 1wdm n PRO 228 Ca -0.16 0.12 -0.01 0.00 -2.02 0.00 0.00 63.50 61.43 1wdm n PRO 228 Cb 0.52 -1.66 -0.04 0.00 -0.02 0.00 0.00 33.50 32.30 1wdm n PRO 228 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wdm h ALA 229 N 4.89 0.60 0.00 3.55 0.00 -1.73 -3.42 119.26 123.15 1wdm h ALA 229 Ca -0.46 -0.70 -0.17 0.00 0.00 0.00 0.00 54.91 53.58 1wdm h ALA 229 Cb 1.37 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1wdm h ALA 229 CO 0.88 0.89 -1.57 1.19 0.00 0.00 0.00 179.25 180.64 1wdm n PHE 230 N -3.18 0.00 -3.50 0.00 3.01 -1.25 -4.93 117.46 107.61 1wdm n PHE 230 Ca -0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.02 1wdm n PHE 230 Cb 0.82 -0.37 -0.07 0.00 -0.01 0.00 0.00 39.48 39.85 1wdm n PHE 230 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1wdm s ASN 231 N -5.65 5.87 0.00 4.37 3.84 -1.26 -5.00 114.94 117.10 1wdm s ASN 231 Ca -0.14 -2.08 -0.01 0.00 0.21 0.00 0.00 52.86 50.84 1wdm s ASN 231 Cb 0.05 -2.05 -0.00 0.00 -0.55 0.00 0.00 41.25 38.69 1wdm s ASN 231 CO 0.19 -0.67 1.01 -0.65 -2.79 0.00 0.00 177.10 174.19 1wdm h PRO 232 N 8.30 -0.01 -5.31 0.43 0.11 -1.92 -2.14 132.00 131.46 1wdm h PRO 232 Ca -0.17 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.30 1wdm h PRO 232 Cb 1.06 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.02 1wdm h PRO 232 CO 0.86 -0.01 0.57 -1.59 -0.21 0.00 0.00 178.00 177.62 1wdm s LYS 233 N -3.07 3.19 0.00 1.05 -2.85 -1.26 -4.18 119.74 112.63 1wdm s LYS 233 Ca -0.00 -1.05 0.00 0.00 -1.00 0.00 0.00 55.97 53.92 1wdm s LYS 233 Cb 0.00 -4.37 0.00 0.00 -2.06 0.00 0.00 37.83 31.40 1wdm s LYS 233 CO 0.02 -1.79 0.00 0.41 0.10 0.00 0.00 175.35 174.09 1wdm n GLY 234 N 5.37 0.51 3.86 0.59 0.00 -1.26 -5.10 105.19 109.17 1wdm n GLY 234 Ca 0.01 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 1wdm n GLY 234 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wdm s GLY 235 N -1.98 1.89 -0.04 -0.02 0.00 -0.81 -4.95 107.32 101.41 1wdm s GLY 235 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 43.70 1wdm s GLY 235 CO 0.00 -1.03 -0.02 -1.30 0.00 0.00 0.00 173.10 170.75 1wdm n THR 236 N -0.08 0.24 -2.73 0.90 -2.24 -1.26 -4.74 114.28 104.38 1wdm n THR 236 Ca -0.07 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 1wdm n THR 236 Cb 0.53 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.99 1wdm n THR 236 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1wdm s VAL 237 N -2.08 4.82 0.43 2.28 1.01 -1.26 -4.78 120.40 120.83 1wdm s VAL 237 Ca -0.04 1.98 0.03 0.00 0.00 0.00 0.00 61.98 63.95 1wdm s VAL 237 Cb 0.01 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1wdm s VAL 237 CO 0.11 0.05 0.05 0.42 0.00 0.00 0.00 175.10 175.73 1wdm s THR 238 N 1.77 1.11 -0.54 3.92 -4.23 -1.26 -2.13 115.64 114.28 1wdm s THR 238 Ca 0.47 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.17 1wdm s THR 238 Cb -0.19 -2.45 0.19 0.00 1.34 0.00 0.00 72.50 71.40 1wdm s THR 238 CO 0.19 0.00 1.58 0.00 -0.54 0.00 0.00 174.62 175.85 1wdm n ALA 239 N -1.01 1.40 0.01 3.99 0.00 -1.26 -2.55 120.51 121.08 1wdm n ALA 239 Ca -0.10 0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 1wdm n ALA 239 Cb 0.66 -1.30 -0.12 0.00 0.00 0.00 0.00 19.45 18.70 1wdm n ALA 239 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1wdm h GLY 240 N 1.37 0.00 -2.60 0.00 0.00 -1.94 -3.33 103.07 96.58 1wdm h GLY 240 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wdm h GLY 240 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 1wdm n THR 241 N -3.06 1.37 -4.19 4.70 -2.24 -1.06 -4.90 114.28 104.92 1wdm n THR 241 Ca -0.12 -0.96 -0.22 0.00 -2.27 0.00 0.00 64.05 60.48 1wdm n THR 241 Cb 0.98 0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 69.30 1wdm n THR 241 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wdm s SER 242 N -0.87 5.13 0.68 3.42 0.01 -1.20 -1.62 113.70 119.25 1wdm s SER 242 Ca 0.43 -0.41 -0.14 0.00 1.31 0.00 0.00 55.95 57.14 1wdm s SER 242 Cb 0.27 -1.18 0.01 0.00 0.21 0.00 0.00 66.02 65.32 1wdm s SER 242 CO 0.23 -0.02 1.12 -0.94 0.41 0.00 0.00 173.24 174.03 1wdm s SER 243 N -3.77 4.93 0.26 2.44 1.04 -1.11 -4.66 113.70 112.84 1wdm s SER 243 Ca 0.32 2.02 -0.09 0.00 0.48 0.00 0.00 55.95 58.68 1wdm s SER 243 Cb -0.07 -2.55 -0.07 0.00 0.10 0.00 0.00 66.02 63.43 1wdm s SER 243 CO 0.23 -1.75 0.58 -1.10 0.98 0.00 0.00 173.24 172.17 1wdm s GLN 244 N -4.17 3.77 -0.74 4.02 -0.21 -1.19 -4.87 119.66 116.27 1wdm s GLN 244 Ca 0.67 0.24 -0.26 0.00 0.02 0.00 0.00 55.36 56.03 1wdm s GLN 244 Cb -0.21 -2.61 0.01 0.00 1.00 0.00 0.00 33.01 31.20 1wdm s GLN 244 CO 0.44 0.25 1.51 0.42 -2.12 0.00 0.00 175.29 175.79 1wdm s ILE 245 N -1.94 3.61 -0.03 1.08 -1.09 -1.26 -1.44 121.20 120.14 1wdm s ILE 245 Ca 0.47 0.18 0.05 0.00 -2.23 0.00 0.00 60.65 59.12 1wdm s ILE 245 Cb -0.11 -4.58 -0.03 0.00 -1.58 0.00 0.00 42.46 36.16 1wdm s ILE 245 CO 0.24 -1.53 -0.17 -0.89 -1.23 0.00 0.00 174.94 171.37 1wdm s THR 246 N 6.93 2.86 -0.38 2.92 2.01 -1.26 -2.98 115.64 125.73 1wdm s THR 246 Ca 0.48 -0.87 -0.18 0.00 0.31 0.00 0.00 61.69 61.43 1wdm s THR 246 Cb -0.08 -2.12 0.01 0.00 0.01 0.00 0.00 72.50 70.31 1wdm s THR 246 CO 0.13 0.54 0.48 -1.81 -0.69 0.00 0.00 174.62 173.27 1wdm s ASP 247 N -0.85 6.25 0.21 3.53 1.01 -0.93 -4.04 116.67 121.85 1wdm s ASP 247 Ca 0.12 -0.31 -0.23 0.00 0.71 0.00 0.00 52.55 52.85 1wdm s ASP 247 Cb -0.10 -2.25 0.05 0.00 1.01 0.00 0.00 42.92 41.63 1wdm s ASP 247 CO 0.01 -0.52 0.70 -0.83 0.21 0.00 0.00 175.17 174.74 1wdm s GLY 248 N 1.80 -0.33 -0.01 0.21 0.00 -1.11 -2.68 107.32 105.21 1wdm s GLY 248 Ca 0.16 0.11 -0.06 0.00 0.00 0.00 0.00 44.72 44.93 1wdm s GLY 248 CO 0.14 0.04 0.11 0.00 0.00 0.00 0.00 173.10 173.39 1wdm s ALA 249 N -3.75 -0.27 0.14 3.20 0.00 -1.26 -2.18 121.76 117.64 1wdm s ALA 249 Ca 0.07 -0.06 0.09 0.00 0.00 0.00 0.00 51.96 52.06 1wdm s ALA 249 Cb -0.03 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1wdm s ALA 249 CO -0.02 -0.16 -0.20 -1.54 0.00 0.00 0.00 175.76 173.84 1wdm s SER 250 N -1.00 2.69 0.03 0.00 1.04 0.11 -1.62 113.70 114.95 1wdm s SER 250 Ca -0.11 -0.79 -0.04 0.00 0.48 0.00 0.00 55.95 55.49 1wdm s SER 250 Cb -0.06 -0.16 -0.01 0.00 0.10 0.00 0.00 66.02 65.89 1wdm s SER 250 CO 0.01 0.02 0.07 0.00 0.98 0.00 0.00 173.24 174.32 1wdm s MET 252 N -2.27 0.73 -0.18 0.00 -1.94 0.16 -1.78 119.30 114.02 1wdm s MET 252 Ca -0.08 0.31 -0.02 0.00 -1.71 0.00 0.00 55.69 54.19 1wdm s MET 252 Cb -0.03 0.34 -0.01 0.00 2.01 0.00 0.00 34.83 37.14 1wdm s MET 252 CO -0.03 -0.17 -0.09 0.42 -0.01 0.00 0.00 175.02 175.14 1wdm s ILE 253 N -0.60 3.16 0.09 2.53 1.01 -1.13 -0.96 121.20 125.29 1wdm s ILE 253 Ca -0.07 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 60.06 1wdm s ILE 253 Cb -0.03 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1wdm s ILE 253 CO 0.04 0.47 -0.18 -0.69 0.00 0.00 0.00 174.94 174.58 1wdm s VAL 254 N 1.05 1.44 0.15 2.92 1.01 -0.24 -0.38 120.40 126.35 1wdm s VAL 254 Ca 0.00 -1.43 -0.24 0.00 0.00 0.00 0.00 61.98 60.30 1wdm s VAL 254 Cb -0.15 -1.34 0.07 0.00 0.00 0.00 0.00 36.38 34.96 1wdm s VAL 254 CO -0.01 -0.13 0.74 0.00 0.00 0.00 0.00 175.10 175.69 1wdm s MET 255 N -1.83 1.28 1.05 2.72 0.23 -0.59 -0.33 119.30 121.83 1wdm s MET 255 Ca 0.03 -0.57 -0.14 0.00 -1.03 0.00 0.00 55.69 53.98 1wdm s MET 255 Cb -0.10 0.52 0.15 0.00 -1.53 0.00 0.00 34.83 33.87 1wdm s MET 255 CO 0.03 -0.57 0.61 -1.13 -2.03 0.00 0.00 175.02 171.93 1wdm n SER 256 N -0.38 -1.57 0.07 -1.18 3.41 -0.70 -1.01 113.62 112.25 1wdm n SER 256 Ca -0.11 0.10 -0.11 0.00 -0.26 0.00 0.00 58.87 58.49 1wdm n SER 256 Cb 0.62 -1.21 -0.01 0.00 -0.26 0.00 0.00 64.21 63.36 1wdm n SER 256 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wdm h ALA 257 N -2.07 0.49 0.39 7.33 0.00 -0.77 -2.68 119.26 121.95 1wdm h ALA 257 Ca -0.51 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 53.71 1wdm h ALA 257 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1wdm h ALA 257 CO 0.41 0.82 -0.19 0.37 0.00 0.00 0.00 179.25 180.66 1wdm h GLN 258 N 0.22 -0.50 -0.84 0.00 5.75 -1.67 0.92 115.11 118.98 1wdm h GLN 258 Ca -0.05 0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.58 1wdm h GLN 258 Cb 1.46 0.11 -0.06 0.00 1.07 0.00 0.00 27.48 30.06 1wdm h GLN 258 CO 0.14 -0.21 0.55 -0.09 -2.65 0.00 0.00 178.83 176.57 1wdm h ARG 259 N -0.78 0.77 -0.51 1.69 9.65 -1.81 0.15 114.38 123.54 1wdm h ARG 259 Ca -0.05 -0.05 -0.08 0.00 -1.10 0.00 0.00 59.98 58.70 1wdm h ARG 259 Cb 0.52 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 1wdm h ARG 259 CO 0.09 0.51 0.01 0.00 2.80 0.00 0.00 179.97 183.37 1wdm h ALA 260 N 1.58 1.06 0.07 2.80 0.00 -1.23 -1.81 119.26 121.73 1wdm h ALA 260 Ca 0.39 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1wdm h ALA 260 Cb 0.45 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1wdm h ALA 260 CO -0.16 0.59 -0.03 -0.22 0.00 0.00 0.00 179.25 179.43 1wdm h LYS 261 N 0.79 -0.09 0.41 0.00 3.64 0.18 -1.80 116.57 119.70 1wdm h LYS 261 Ca 0.15 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1wdm h LYS 261 Cb 0.46 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1wdm h LYS 261 CO 0.02 0.12 -0.51 -0.44 -2.27 0.00 0.00 179.45 176.37 1wdm h ASP 262 N -0.29 -1.43 0.12 4.20 3.32 -0.81 -1.00 116.42 120.53 1wdm h ASP 262 Ca -0.01 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1wdm h ASP 262 Cb 0.25 0.49 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1wdm h ASP 262 CO 0.02 -0.64 0.00 -0.07 -1.72 0.00 0.00 179.24 176.82 1wdm h LEU 263 N -0.95 0.00 -2.28 1.55 3.38 -1.38 -3.47 115.31 112.15 1wdm h LEU 263 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1wdm h LEU 263 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1wdm h LEU 263 CO -0.12 0.00 -0.78 0.61 0.09 0.00 0.00 178.44 178.24 1wdm n GLY 264 N -1.06 -3.61 3.64 0.83 0.00 -0.38 -5.06 105.19 99.55 1wdm n GLY 264 Ca -0.01 0.50 -0.06 0.00 0.00 0.00 0.00 46.02 46.44 1wdm n GLY 264 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wdm s LEU 265 N -1.58 -0.83 0.03 0.99 2.34 -1.18 -5.06 118.68 113.39 1wdm s LEU 265 Ca 0.04 1.34 -0.30 0.00 0.06 0.00 0.00 54.13 55.27 1wdm s LEU 265 Cb -0.01 2.23 -0.08 0.00 -0.56 0.00 0.00 46.19 47.77 1wdm s LEU 265 CO 0.67 -0.21 1.79 -0.70 -1.06 0.00 0.00 176.35 176.84 1wdm s GLU 266 N 1.47 4.16 0.62 1.48 2.56 -1.26 -4.83 118.70 122.90 1wdm s GLU 266 Ca -0.09 2.43 -0.19 0.00 0.00 0.00 0.00 54.97 57.12 1wdm s GLU 266 Cb -0.05 -3.91 -0.02 0.00 2.00 0.00 0.00 34.13 32.15 1wdm s GLU 266 CO -0.17 -0.86 1.31 -2.14 -0.56 0.00 0.00 175.26 172.83 1wdm s PRO 267 N 3.71 2.74 0.24 4.30 0.02 -1.26 -4.92 135.00 139.83 1wdm s PRO 267 Ca 0.80 2.10 0.23 0.00 0.02 0.00 0.00 61.00 64.15 1wdm s PRO 267 Cb -0.40 -1.96 0.14 0.00 0.02 0.00 0.00 34.50 32.30 1wdm s PRO 267 CO 0.35 -1.46 1.21 1.25 -0.33 0.00 0.00 177.00 178.03 1wdm h LEU 268 N 0.82 0.00 0.00 -5.54 5.85 -1.21 -3.47 115.31 111.76 1wdm h LEU 268 Ca -0.51 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1wdm h LEU 268 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1wdm h LEU 268 CO 0.54 0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.66 1wdm n ALA 269 N -2.10 0.00 -3.77 1.25 0.00 -1.25 -4.83 120.51 109.81 1wdm n ALA 269 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.20 1wdm n ALA 269 Cb 0.53 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.81 1wdm n ALA 269 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wdm s VAL 270 N -2.00 0.52 0.18 0.00 1.01 -0.22 -2.15 120.40 117.74 1wdm s VAL 270 Ca 0.00 -0.22 -0.32 0.00 0.00 0.00 0.00 61.98 61.44 1wdm s VAL 270 Cb 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 36.38 35.45 1wdm s VAL 270 CO 0.00 0.07 1.75 -0.38 0.00 0.00 0.00 175.10 176.54 1wdm n ILE 271 N 5.08 0.10 -0.03 2.22 5.41 -0.93 -1.53 119.36 129.68 1wdm n ILE 271 Ca -0.08 -0.02 0.01 0.00 1.00 0.00 0.00 62.75 63.65 1wdm n ILE 271 Cb 0.49 -2.01 -0.09 0.00 -0.71 0.00 0.00 39.64 37.32 1wdm n ILE 271 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1wdm n ARG 272 N 4.42 1.21 -3.48 0.38 5.12 0.77 -4.61 116.66 120.47 1wdm n ARG 272 Ca 0.17 -0.06 -0.11 0.00 -1.93 0.00 0.00 57.85 55.92 1wdm n ARG 272 Cb 0.35 -1.28 -0.03 0.00 -1.16 0.00 0.00 32.46 30.35 1wdm n ARG 272 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1wdm s SER 273 N -3.82 -0.46 0.04 0.55 1.04 -1.19 -4.61 113.70 105.25 1wdm s SER 273 Ca -0.05 0.08 -0.05 0.00 0.48 0.00 0.00 55.95 56.42 1wdm s SER 273 Cb 0.06 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 1wdm s SER 273 CO 0.47 -0.72 0.08 -0.04 0.98 0.00 0.00 173.24 174.01 1wdm s MET 274 N -3.04 0.60 -0.08 4.02 -1.94 -1.26 -2.21 119.30 115.39 1wdm s MET 274 Ca 0.02 -0.85 -0.31 0.00 -1.71 0.00 0.00 55.69 52.84 1wdm s MET 274 Cb -0.01 0.23 0.12 0.00 2.01 0.00 0.00 34.83 37.18 1wdm s MET 274 CO -0.08 -0.15 1.02 0.00 -0.01 0.00 0.00 175.02 175.80 1wdm s ALA 275 N -2.91 -1.92 0.04 3.03 0.00 -1.05 -4.66 121.76 114.29 1wdm s ALA 275 Ca -0.02 1.25 -0.04 0.00 0.00 0.00 0.00 51.96 53.15 1wdm s ALA 275 Cb 0.01 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 1wdm s ALA 275 CO -0.06 -0.65 0.05 0.14 0.00 0.00 0.00 175.76 175.25 1wdm s VAL 276 N -2.83 0.15 0.15 0.00 -7.23 -1.26 -2.26 120.40 107.13 1wdm s VAL 276 Ca 0.07 -1.25 -0.18 0.00 -1.81 0.00 0.00 61.98 58.81 1wdm s VAL 276 Cb -0.01 -0.99 0.04 0.00 0.56 0.00 0.00 36.38 35.98 1wdm s VAL 276 CO -0.07 -0.69 0.47 0.00 -0.31 0.00 0.00 175.10 174.50 1wdm s ALA 277 N -2.85 -1.03 0.13 1.32 0.00 0.04 -4.79 121.76 114.57 1wdm s ALA 277 Ca -0.03 -0.03 0.11 0.00 0.00 0.00 0.00 51.96 52.01 1wdm s ALA 277 Cb 0.00 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 1wdm s ALA 277 CO -0.06 -0.72 -0.25 0.20 0.00 0.00 0.00 175.76 174.93 1wdm s GLY 278 N -2.82 1.60 0.21 0.00 0.00 -1.26 0.65 107.32 105.70 1wdm s GLY 278 Ca 0.05 -1.44 -0.04 0.00 0.00 0.00 0.00 44.72 43.29 1wdm s GLY 278 CO -0.09 -1.42 0.20 -1.34 0.00 0.00 0.00 173.10 170.45 1wdm s VAL 279 N -1.07 0.00 0.34 1.40 -7.23 -1.00 -4.93 120.40 107.91 1wdm s VAL 279 Ca 0.15 -1.87 -0.29 0.00 -1.81 0.00 0.00 61.98 58.16 1wdm s VAL 279 Cb -0.10 -2.42 -0.11 0.00 0.56 0.00 0.00 36.38 34.31 1wdm s VAL 279 CO 0.07 -0.02 1.53 -1.81 -0.31 0.00 0.00 175.10 174.57 1wdm s ASP 280 N -3.13 6.35 0.45 4.85 1.01 -1.26 -4.32 116.67 120.62 1wdm s ASP 280 Ca 0.35 3.02 0.18 0.00 0.71 0.00 0.00 52.55 56.81 1wdm s ASP 280 Cb 0.05 -2.65 1.14 0.00 1.01 0.00 0.00 42.92 42.47 1wdm s ASP 280 CO 0.11 -0.90 1.93 -0.65 0.21 0.00 0.00 175.17 175.87 1wdm h PRO 281 N 3.77 0.30 -0.50 8.23 0.11 -1.89 -2.27 132.00 139.75 1wdm h PRO 281 Ca -0.49 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1wdm h PRO 281 Cb 1.23 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1wdm h PRO 281 CO 0.70 0.20 0.16 0.00 -0.21 0.00 0.00 178.00 178.86 1wdm h ALA 282 N 1.66 0.66 -1.11 -0.75 0.00 -1.90 -3.14 119.26 114.68 1wdm h ALA 282 Ca 0.36 -0.18 -0.66 0.00 0.00 0.00 0.00 54.91 54.42 1wdm h ALA 282 Cb 0.94 -0.20 -0.34 0.00 0.00 0.00 0.00 17.79 18.19 1wdm h ALA 282 CO -0.09 0.31 0.19 0.44 0.00 0.00 0.00 179.25 180.09 1wdm n ILE 283 N -4.50 3.07 0.16 0.00 -5.35 -0.88 -4.36 119.36 107.50 1wdm n ILE 283 Ca 0.02 -4.20 0.15 0.00 -0.27 0.00 0.00 62.75 58.45 1wdm n ILE 283 Cb 0.19 -1.22 0.72 0.00 -1.74 0.00 0.00 39.64 37.60 1wdm n ILE 283 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wdm h MET 284 N 2.54 0.00 0.00 6.28 -0.00 -1.43 -1.19 114.93 121.12 1wdm h MET 284 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.17 1wdm h MET 284 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.30 1wdm h MET 284 CO 1.18 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 178.50 1wdm n GLY 285 N -1.53 -0.86 0.49 -3.00 0.00 -1.26 -0.94 105.19 98.09 1wdm n GLY 285 Ca 0.02 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1wdm n GLY 285 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wdm n TYR 286 N -2.15 0.16 -0.32 1.61 9.36 -0.45 -4.40 117.16 120.97 1wdm n TYR 286 Ca -0.01 -0.08 0.05 0.00 3.32 0.00 0.00 57.90 61.18 1wdm n TYR 286 Cb 0.05 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 38.96 1wdm n TYR 286 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1wdm h GLY 287 N 5.02 1.43 0.03 2.98 0.00 -1.22 -3.13 103.07 108.18 1wdm h GLY 287 Ca 0.00 -0.34 0.21 0.00 0.00 0.00 0.00 47.33 47.19 1wdm h GLY 287 CO 0.00 0.11 0.58 -2.55 0.00 0.00 0.00 176.54 174.68 1wdm h PRO 288 N 0.83 0.66 -0.26 4.80 0.11 -1.78 -2.90 132.00 133.45 1wdm h PRO 288 Ca 0.44 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.50 1wdm h PRO 288 Cb 0.46 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1wdm h PRO 288 CO -0.27 0.43 0.09 -0.24 -0.21 0.00 0.00 178.00 177.80 1wdm h VAL 289 N 0.68 1.19 -0.45 3.15 3.04 -1.90 0.15 116.25 122.11 1wdm h VAL 289 Ca 0.59 -0.59 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 1wdm h VAL 289 Cb 0.99 1.08 -0.02 0.00 -2.01 0.00 0.00 31.29 31.33 1wdm h VAL 289 CO -0.42 0.20 0.21 -0.65 -1.01 0.00 0.00 177.57 175.89 1wdm h PRO 290 N 0.27 0.66 -0.41 4.17 0.11 -1.68 -1.95 132.00 133.16 1wdm h PRO 290 Ca 0.09 -0.10 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 1wdm h PRO 290 Cb 0.22 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1wdm h PRO 290 CO -0.00 0.57 -0.18 0.00 -0.21 0.00 0.00 178.00 178.18 1wdm h ALA 291 N 1.05 0.58 -0.36 -0.75 0.00 -1.49 -2.70 119.26 115.58 1wdm h ALA 291 Ca 0.15 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1wdm h ALA 291 Cb 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1wdm h ALA 291 CO -0.02 0.53 0.23 1.15 0.00 0.00 0.00 179.25 181.14 1wdm h THR 292 N 0.67 1.11 -0.22 0.00 2.02 -0.60 0.29 112.91 116.19 1wdm h THR 292 Ca 0.09 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 67.08 1wdm h THR 292 Cb 0.74 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1wdm h THR 292 CO 0.06 0.11 -0.06 1.56 0.37 0.00 0.00 175.52 177.56 1wdm h GLN 293 N 0.48 -0.01 -0.83 6.66 4.20 -1.31 0.16 115.11 124.47 1wdm h GLN 293 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1wdm h GLN 293 Cb -0.02 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 1wdm h GLN 293 CO -0.03 -0.00 0.53 -0.22 -0.67 0.00 0.00 178.83 178.44 1wdm h LYS 294 N -0.01 1.10 0.14 1.46 3.64 -1.19 -0.43 116.57 121.29 1wdm h LYS 294 Ca 0.11 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1wdm h LYS 294 Cb 0.17 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1wdm h LYS 294 CO -0.23 0.75 -0.07 0.00 -2.27 0.00 0.00 179.45 177.63 1wdm h ALA 295 N 1.29 -0.19 -0.12 5.00 0.00 -0.20 -2.31 119.26 122.73 1wdm h ALA 295 Ca 0.30 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1wdm h ALA 295 Cb -0.09 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1wdm h ALA 295 CO -0.06 -0.51 -0.02 -0.07 0.00 0.00 0.00 179.25 178.59 1wdm h LEU 296 N -0.40 -0.08 -1.49 0.00 3.38 -0.55 0.92 115.31 117.10 1wdm h LEU 296 Ca -0.02 0.03 0.21 0.00 0.09 0.00 0.00 57.88 58.19 1wdm h LEU 296 Cb 0.31 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 1wdm h LEU 296 CO 0.03 -0.02 0.60 0.11 0.09 0.00 0.00 178.44 179.25 1wdm h LYS 297 N 0.02 0.41 0.08 1.13 1.57 -1.04 0.95 116.57 119.68 1wdm h LYS 297 Ca 0.06 -0.02 -0.26 0.00 -1.87 0.00 0.00 60.65 58.55 1wdm h LYS 297 Cb 0.08 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.30 1wdm h LYS 297 CO -0.11 0.27 -1.13 0.00 -0.57 0.00 0.00 179.45 177.91 1wdm h ARG 298 N 0.42 0.38 0.00 3.15 3.08 -0.75 -3.14 114.38 117.51 1wdm h ARG 298 Ca 0.48 -0.52 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1wdm h ARG 298 Cb 1.18 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.40 1wdm h ARG 298 CO -0.19 1.20 -0.16 0.00 -1.07 0.00 0.00 179.97 179.76 1wdm h ALA 299 N 0.59 1.03 -1.24 0.04 0.00 0.23 -3.47 119.26 116.44 1wdm h ALA 299 Ca -0.12 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1wdm h ALA 299 Cb 1.82 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.59 1wdm h ALA 299 CO 0.20 0.19 -0.13 0.41 0.00 0.00 0.00 179.25 179.91 1wdm n GLY 300 N 0.09 0.35 3.44 0.00 0.00 0.28 -5.02 105.19 104.33 1wdm n GLY 300 Ca 0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 1wdm n GLY 300 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wdm s LEU 301 N -1.79 2.18 -0.01 0.99 1.43 -1.08 -5.05 118.68 115.35 1wdm s LEU 301 Ca 0.05 -1.37 0.04 0.00 -1.03 0.00 0.00 54.13 51.83 1wdm s LEU 301 Cb -0.02 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.79 1wdm s LEU 301 CO 0.07 -0.60 -0.13 0.20 0.23 0.00 0.00 176.35 176.12 1wdm s ASN 302 N -3.48 4.16 0.63 2.29 0.01 -1.26 -4.47 114.94 112.82 1wdm s ASN 302 Ca 0.36 -0.23 0.05 0.00 -0.71 0.00 0.00 52.86 52.33 1wdm s ASN 302 Cb 0.08 -0.86 0.27 0.00 0.41 0.00 0.00 41.25 41.15 1wdm s ASN 302 CO 0.15 0.31 1.13 -0.03 -1.51 0.00 0.00 177.10 177.15 1wdm h MET 303 N 4.91 0.00 0.00 -0.60 1.85 -1.98 1.53 114.93 120.64 1wdm h MET 303 Ca -0.47 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.62 1wdm h MET 303 Cb 1.16 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.19 1wdm h MET 303 CO 0.51 0.00 -0.31 0.00 -0.40 0.00 0.00 176.91 176.70 1wdm n ALA 304 N -1.54 3.07 0.47 0.39 0.00 -1.26 -3.64 120.51 117.99 1wdm n ALA 304 Ca -0.00 -0.25 0.12 0.00 0.00 0.00 0.00 53.44 53.30 1wdm n ALA 304 Cb 0.87 -1.25 0.14 0.00 0.00 0.00 0.00 19.45 19.21 1wdm n ALA 304 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1wdm h ASP 305 N 0.00 0.00 -3.50 0.00 3.32 0.18 -3.46 116.42 112.96 1wdm h ASP 305 Ca 0.00 -0.16 -0.52 0.00 0.02 0.00 0.00 57.03 56.36 1wdm h ASP 305 Cb 0.51 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1wdm h ASP 305 CO 0.00 0.08 0.41 -0.63 -1.72 0.00 0.00 179.24 177.38 1wdm s ILE 306 N -3.21 4.35 -0.10 0.35 1.01 -1.24 -4.66 121.20 117.72 1wdm s ILE 306 Ca 0.05 1.89 -0.11 0.00 0.00 0.00 0.00 60.65 62.48 1wdm s ILE 306 Cb 0.12 -4.21 -0.28 0.00 0.01 0.00 0.00 42.46 38.11 1wdm s ILE 306 CO 0.73 0.26 0.51 0.44 0.00 0.00 0.00 174.94 176.88 1wdm h ASP 307 N 5.78 0.46 -4.25 3.58 3.32 -1.45 -3.48 116.42 120.38 1wdm h ASP 307 Ca -0.43 -0.90 -0.28 0.00 0.02 0.00 0.00 57.03 55.44 1wdm h ASP 307 Cb 1.21 -0.15 -0.25 0.00 0.22 0.00 0.00 39.33 40.36 1wdm h ASP 307 CO 0.73 1.76 -0.74 -0.36 -1.72 0.00 0.00 179.24 178.92 1wdm s PHE 308 N -2.53 0.44 0.11 4.55 0.40 -1.20 -4.70 117.98 115.04 1wdm s PHE 308 Ca -0.20 -0.24 0.10 0.00 -0.60 0.00 0.00 56.93 55.99 1wdm s PHE 308 Cb 0.06 -0.28 -0.04 0.00 0.51 0.00 0.00 43.02 43.27 1wdm s PHE 308 CO 0.79 -0.05 -0.25 0.42 0.70 0.00 0.00 175.22 176.83 1wdm s ILE 309 N -0.62 2.07 -0.38 0.64 1.01 0.27 -1.68 121.20 122.51 1wdm s ILE 309 Ca -0.04 -1.64 0.00 0.00 0.00 0.00 0.00 60.65 58.98 1wdm s ILE 309 Cb -0.05 -1.83 0.13 0.00 0.01 0.00 0.00 42.46 40.72 1wdm s ILE 309 CO -0.00 0.08 0.20 -1.61 0.00 0.00 0.00 174.94 173.61 1wdm s GLU 310 N -1.90 0.86 -0.26 2.79 0.41 -0.12 -1.62 118.70 118.86 1wdm s GLU 310 Ca 0.11 -1.52 -0.10 0.00 -0.41 0.00 0.00 54.97 53.05 1wdm s GLU 310 Cb -0.10 -1.85 -0.05 0.00 -1.78 0.00 0.00 34.13 30.36 1wdm s GLU 310 CO 0.05 -1.14 0.16 -1.17 -0.49 0.00 0.00 175.26 172.67 1wdm s LEU 311 N 0.93 3.97 0.22 1.80 2.96 -1.26 -2.52 118.68 124.78 1wdm s LEU 311 Ca 0.16 0.01 -0.32 0.00 -0.22 0.00 0.00 54.13 53.76 1wdm s LEU 311 Cb -0.22 -2.09 -0.12 0.00 0.50 0.00 0.00 46.19 44.26 1wdm s LEU 311 CO -0.06 -0.01 1.72 -3.20 -1.32 0.00 0.00 176.35 173.48 1wdm n ASN 312 N 4.76 4.01 -4.17 3.68 5.15 -0.98 -4.86 115.26 122.86 1wdm n ASN 312 Ca -0.15 1.07 -0.43 0.00 -0.60 0.00 0.00 54.58 54.47 1wdm n ASN 312 Cb 0.52 -1.58 0.00 0.00 -0.53 0.00 0.00 39.78 38.19 1wdm n ASN 312 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1wdm n GLU 313 N 3.81 3.44 0.31 1.20 1.02 -1.26 -4.78 120.64 124.39 1wdm n GLU 313 Ca 0.15 -3.61 -0.17 0.00 -0.02 0.00 0.00 57.16 53.52 1wdm n GLU 313 Cb 0.35 -3.03 -0.09 0.00 -0.02 0.00 0.00 31.44 28.65 1wdm n GLU 313 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wdm h ALA 314 N 6.49 -0.75 -2.62 0.62 0.00 -1.95 -3.37 119.26 117.68 1wdm h ALA 314 Ca 0.37 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1wdm h ALA 314 Cb 0.75 0.30 -0.19 0.00 0.00 0.00 0.00 17.79 18.65 1wdm h ALA 314 CO 1.46 -0.92 -0.40 -0.06 0.00 0.00 0.00 179.25 179.33 1wdm s PHE 315 N -6.08 -0.00 0.06 0.00 0.08 -1.26 -2.73 117.98 108.05 1wdm s PHE 315 Ca -0.17 -0.11 -0.20 0.00 0.12 0.00 0.00 56.93 56.57 1wdm s PHE 315 Cb 0.04 -0.01 -0.11 0.00 -0.57 0.00 0.00 43.02 42.37 1wdm s PHE 315 CO 0.63 -0.37 1.49 0.00 -0.10 0.00 0.00 175.22 176.86 1wdm h ALA 316 N 3.83 0.23 0.00 5.36 0.00 -1.62 0.81 119.26 127.87 1wdm h ALA 316 Ca -0.31 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1wdm h ALA 316 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1wdm h ALA 316 CO 0.44 -0.05 0.02 0.00 0.00 0.00 0.00 179.25 179.65 1wdm n ALA 317 N -2.32 0.97 -0.04 0.00 0.00 -1.26 -2.08 120.51 115.78 1wdm n ALA 317 Ca -0.05 0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.35 1wdm n ALA 317 Cb 0.23 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 1wdm n ALA 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wdm n GLN 318 N -1.53 0.84 -0.20 0.00 -0.00 -0.96 -3.64 117.38 111.88 1wdm n GLN 318 Ca -0.00 0.04 -0.08 0.00 -0.00 0.00 0.00 57.00 56.96 1wdm n GLN 318 Cb 0.02 -1.18 0.02 0.00 -0.00 0.00 0.00 30.24 29.10 1wdm n GLN 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1wdm h ALA 319 N 0.08 0.75 0.30 2.61 0.00 -0.50 -2.98 119.26 119.52 1wdm h ALA 319 Ca -0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1wdm h ALA 319 Cb 1.35 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1wdm h ALA 319 CO -0.02 0.36 -0.15 -0.07 0.00 0.00 0.00 179.25 179.36 1wdm h LEU 320 N 0.79 -0.37 -0.69 0.00 3.38 -1.66 -2.53 115.31 114.23 1wdm h LEU 320 Ca 0.19 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.29 1wdm h LEU 320 Cb 0.19 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 1wdm h LEU 320 CO -0.02 -0.26 0.29 -0.65 0.09 0.00 0.00 178.44 177.89 1wdm h PRO 321 N -0.42 0.46 0.06 1.13 0.11 -1.78 -0.78 132.00 130.78 1wdm h PRO 321 Ca -0.04 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.05 1wdm h PRO 321 Cb 0.33 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 1wdm h PRO 321 CO 0.06 0.30 -0.31 0.28 -0.21 0.00 0.00 178.00 178.12 1wdm h VAL 322 N 0.47 0.00 -0.80 3.15 2.07 -1.35 0.10 116.25 119.89 1wdm h VAL 322 Ca 0.36 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.05 1wdm h VAL 322 Cb 0.46 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.12 1wdm h VAL 322 CO -0.33 0.00 0.27 -0.07 0.02 0.00 0.00 177.57 177.46 1wdm h LEU 323 N -0.44 0.16 0.59 2.57 3.38 -1.02 0.24 115.31 120.79 1wdm h LEU 323 Ca -0.00 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1wdm h LEU 323 Cb 0.44 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1wdm h LEU 323 CO -0.17 -0.00 -0.36 0.50 0.09 0.00 0.00 178.44 178.50 1wdm h LYS 324 N 0.35 -0.85 -0.01 1.13 3.64 -0.38 -0.99 116.57 119.46 1wdm h LYS 324 Ca 0.47 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 1wdm h LYS 324 Cb 0.82 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1wdm h LYS 324 CO -0.50 -0.57 0.03 -0.44 -2.27 0.00 0.00 179.45 175.70 1wdm h ASP 325 N -0.88 0.00 1.05 4.20 5.19 -0.21 0.73 116.42 126.50 1wdm h ASP 325 Ca -0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1wdm h ASP 325 Cb 0.70 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.21 1wdm h ASP 325 CO 0.08 0.00 -0.06 0.18 -3.12 0.00 0.00 179.24 176.33 1wdm n LEU 326 N -3.38 0.23 -2.79 1.55 4.77 0.79 -4.93 117.00 113.24 1wdm n LEU 326 Ca -0.03 0.47 -0.12 0.00 -0.03 0.00 0.00 56.01 56.30 1wdm n LEU 326 Cb 0.10 -0.43 0.06 0.00 -2.33 0.00 0.00 43.42 40.82 1wdm n LEU 326 CO 0.23 -0.03 0.06 0.29 -1.33 0.00 0.00 177.39 176.61 1wdm n LYS 327 N -1.67 -3.70 0.00 3.23 5.02 0.25 -4.94 118.16 116.35 1wdm n LYS 327 Ca 0.06 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1wdm n LYS 327 Cb 0.36 -4.87 0.00 0.00 -0.02 0.00 0.00 35.03 30.50 1wdm n LYS 327 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1wdm n VAL 328 N -3.11 0.00 -0.30 -0.18 0.24 -0.68 -4.89 118.33 109.41 1wdm n VAL 328 Ca -0.15 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.12 1wdm n VAL 328 Cb 0.61 0.99 0.14 0.00 -1.47 0.00 0.00 33.84 34.11 1wdm n VAL 328 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1wdm h LEU 329 N 0.00 1.04 -0.67 1.34 6.46 -1.81 0.36 115.31 122.03 1wdm h LEU 329 Ca 0.00 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1wdm h LEU 329 Cb 0.76 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 1wdm h LEU 329 CO 0.00 0.81 0.00 -0.90 -0.62 0.00 0.00 178.44 177.73 1wdm n ASP 330 N -4.35 0.56 -0.85 1.25 5.75 -1.26 -1.84 116.55 115.79 1wdm n ASP 330 Ca 0.09 0.65 0.08 0.00 -0.01 0.00 0.00 54.79 55.60 1wdm n ASP 330 Cb 0.08 -0.76 0.19 0.00 -1.03 0.00 0.00 41.12 39.60 1wdm n ASP 330 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1wdm n LYS 331 N -2.13 2.58 0.00 0.11 4.76 0.06 -4.85 118.16 118.69 1wdm n LYS 331 Ca 0.02 -2.15 0.00 0.00 -2.87 0.00 0.00 58.31 53.31 1wdm n LYS 331 Cb 0.20 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1wdm n LYS 331 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 1wdm n MET 332 N 0.91 0.00 0.19 1.97 1.56 -0.77 -1.09 117.12 119.90 1wdm n MET 332 Ca 0.15 0.16 0.04 0.00 -0.27 0.00 0.00 57.70 57.78 1wdm n MET 332 Cb 0.48 -0.73 0.22 0.00 2.15 0.00 0.00 33.22 35.34 1wdm n MET 332 CO 0.00 0.00 0.00 -0.91 -0.73 0.00 0.00 175.97 174.33 1wdm h ASN 333 N 0.00 0.00 0.62 6.12 2.35 -1.84 0.54 115.58 123.37 1wdm h ASN 333 Ca 0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.55 1wdm h ASN 333 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1wdm h ASN 333 CO 0.00 0.00 -1.52 1.21 -1.65 0.00 0.00 177.43 175.47 1wdm n GLU 334 N -2.04 0.63 -1.75 0.81 2.13 -0.89 -4.71 120.64 114.81 1wdm n GLU 334 Ca -0.01 0.23 -0.04 0.00 0.66 0.00 0.00 57.16 58.00 1wdm n GLU 334 Cb 0.56 -1.79 0.02 0.00 0.27 0.00 0.00 31.44 30.50 1wdm n GLU 334 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1wdm n LYS 335 N -2.91 0.60 -3.69 5.31 2.85 0.14 -5.02 118.16 115.45 1wdm n LYS 335 Ca -0.12 -1.25 -0.21 0.00 -1.05 0.00 0.00 58.31 55.67 1wdm n LYS 335 Cb 0.89 0.35 -0.18 0.00 -0.65 0.00 0.00 35.03 35.45 1wdm n LYS 335 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1wdm s VAL 336 N -0.12 0.01 -1.41 0.58 1.01 0.13 -0.56 120.40 120.04 1wdm s VAL 336 Ca 0.07 0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1wdm s VAL 336 Cb 0.21 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.30 1wdm s VAL 336 CO -0.06 0.15 0.39 0.59 0.00 0.00 0.00 175.10 176.17 1wdm n ASN 337 N 5.26 -0.30 0.02 3.32 4.13 -0.64 -4.64 115.26 122.40 1wdm n ASN 337 Ca -0.04 -1.03 0.08 0.00 1.68 0.00 0.00 54.58 55.27 1wdm n ASN 337 Cb 0.50 -2.94 0.50 0.00 -1.54 0.00 0.00 39.78 36.30 1wdm n ASN 337 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1wdm h LEU 338 N -1.84 0.33 -3.05 3.41 3.38 -1.90 -1.06 115.31 114.58 1wdm h LEU 338 Ca -0.63 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1wdm h LEU 338 Cb 1.38 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1wdm h LEU 338 CO 0.63 0.22 0.00 1.41 0.09 0.00 0.00 178.44 180.79 1wdm n HIS 339 N -4.48 1.67 0.00 1.13 8.25 -1.26 -4.68 115.22 115.85 1wdm n HIS 339 Ca 0.05 -0.58 0.00 0.00 -0.26 0.00 0.00 57.72 56.93 1wdm n HIS 339 Cb 0.21 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 30.89 1wdm n HIS 339 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wdm n GLY 340 N 0.53 -0.38 0.00 -1.41 0.00 -0.40 -3.70 105.19 99.82 1wdm n GLY 340 Ca 0.22 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1wdm n GLY 340 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wdm n GLY 341 N -0.32 6.69 0.26 -0.02 0.00 -1.26 -4.87 105.19 105.67 1wdm n GLY 341 Ca 0.00 -1.84 0.18 0.00 0.00 0.00 0.00 46.02 44.35 1wdm n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wdm h ALA 342 N 1.00 1.00 0.00 4.61 0.00 -1.78 0.33 119.26 124.42 1wdm h ALA 342 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1wdm h ALA 342 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1wdm h ALA 342 CO 0.00 0.00 -0.24 0.82 0.00 0.00 0.00 179.25 179.83 1wdm h ILE 343 N 0.00 0.60 0.00 0.00 2.04 -1.83 0.02 117.51 118.34 1wdm h ILE 343 Ca 0.00 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 1wdm h ILE 343 Cb 0.13 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1wdm h ILE 343 CO 0.00 0.24 -1.28 0.00 0.00 0.00 0.00 178.15 177.11 1wdm n ALA 344 N -2.24 2.08 0.91 1.87 0.00 -0.57 -4.59 120.51 117.97 1wdm n ALA 344 Ca -0.00 -0.20 0.10 0.00 0.00 0.00 0.00 53.44 53.34 1wdm n ALA 344 Cb 0.43 -0.06 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 1wdm n ALA 344 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wdm n LEU 345 N -1.87 1.51 0.00 0.00 4.77 0.11 -1.93 117.00 119.59 1wdm n LEU 345 Ca -0.04 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1wdm n LEU 345 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1wdm n LEU 345 CO 0.11 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1wdm n GLY 346 N 1.38 -0.45 2.32 -0.72 0.00 -0.01 -4.82 105.19 102.89 1wdm n GLY 346 Ca 0.07 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.09 1wdm n GLY 346 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1wdm n HIS 347 N -0.46 -0.86 -2.35 1.61 -0.00 -0.52 -4.32 115.22 108.32 1wdm n HIS 347 Ca 0.00 -3.30 -0.36 0.00 0.46 0.00 0.00 57.72 54.52 1wdm n HIS 347 Cb 0.00 0.06 -0.03 0.00 -0.12 0.00 0.00 29.99 29.90 1wdm n HIS 347 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 1wdm s PRO 348 N -0.48 3.22 0.00 1.57 0.02 -1.26 -4.59 135.00 133.49 1wdm s PRO 348 Ca 0.34 -1.14 0.00 0.00 0.02 0.00 0.00 61.00 60.22 1wdm s PRO 348 Cb 0.11 -5.31 0.00 0.00 0.02 0.00 0.00 34.50 29.32 1wdm s PRO 348 CO -0.15 -2.85 0.00 1.19 -0.33 0.00 0.00 177.00 174.86 1wdm n PHE 349 N 11.07 0.00 0.03 6.54 0.99 -1.26 0.24 117.46 135.06 1wdm n PHE 349 Ca 0.41 0.00 0.21 0.00 -0.00 0.00 0.00 57.45 58.07 1wdm n PHE 349 Cb 0.48 0.00 0.62 0.00 -1.00 0.00 0.00 39.48 39.58 1wdm n PHE 349 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1wdm h GLY 350 N 0.00 0.00 0.00 1.37 0.00 -1.80 -2.96 103.07 99.68 1wdm h GLY 350 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1wdm h GLY 350 CO 0.00 0.00 -1.01 0.00 0.00 0.00 0.00 176.54 175.53 1wdm n SER 352 N -4.50 -0.12 -0.00 0.00 7.64 -0.55 -2.55 113.62 113.53 1wdm n SER 352 Ca -0.21 0.82 -0.00 0.00 1.01 0.00 0.00 58.87 60.49 1wdm n SER 352 Cb 0.49 -0.27 -0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1wdm n SER 352 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wdm n GLY 353 N -1.27 -2.53 0.17 0.23 0.00 -1.25 -1.37 105.19 99.16 1wdm n GLY 353 Ca 0.09 0.48 0.05 0.00 0.00 0.00 0.00 46.02 46.64 1wdm n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wdm h ALA 354 N -0.80 0.81 -0.02 4.61 0.00 -1.64 -3.25 119.26 118.98 1wdm h ALA 354 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.57 1wdm h ALA 354 Cb 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 1wdm h ALA 354 CO -0.01 0.51 -0.44 -0.09 0.00 0.00 0.00 179.25 179.22 1wdm h ARG 355 N 0.00 -0.56 -0.29 0.00 1.12 -1.02 1.30 114.38 114.93 1wdm h ARG 355 Ca -0.00 0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 58.83 1wdm h ARG 355 Cb 1.16 0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 31.23 1wdm h ARG 355 CO 0.05 -0.37 -0.12 -0.84 -3.11 0.00 0.00 179.97 175.58 1wdm h ILE 356 N -0.58 1.23 -0.52 1.20 3.07 -1.52 0.48 117.51 120.87 1wdm h ILE 356 Ca 0.05 -1.02 -0.04 0.00 1.55 0.00 0.00 64.86 65.40 1wdm h ILE 356 Cb 0.66 1.14 -0.02 0.00 -0.27 0.00 0.00 36.82 38.33 1wdm h ILE 356 CO -0.34 0.33 0.17 0.28 -1.05 0.00 0.00 178.15 177.54 1wdm h SER 357 N 0.46 0.70 0.22 2.16 0.02 -1.21 0.68 113.55 116.58 1wdm h SER 357 Ca 0.09 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1wdm h SER 357 Cb 0.49 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1wdm h SER 357 CO 0.03 0.67 -0.11 1.23 -1.14 0.00 0.00 176.83 177.51 1wdm h GLY 358 N 0.91 -0.31 0.21 -3.77 0.00 0.24 -3.13 103.07 97.22 1wdm h GLY 358 Ca 0.17 0.12 0.21 0.00 0.00 0.00 0.00 47.33 47.83 1wdm h GLY 358 CO -0.01 -0.11 0.61 -0.84 0.00 0.00 0.00 176.54 176.19 1wdm h THR 359 N -0.96 0.67 -0.75 4.70 2.02 -0.84 0.96 112.91 118.70 1wdm h THR 359 Ca -0.03 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1wdm h THR 359 Cb 0.46 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1wdm h THR 359 CO 0.05 0.09 0.43 0.25 0.37 0.00 0.00 175.52 176.71 1wdm h LEU 360 N 0.49 0.91 -0.66 2.58 5.85 -0.89 -1.58 115.31 122.00 1wdm h LEU 360 Ca 0.51 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 59.10 1wdm h LEU 360 Cb 1.16 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1wdm h LEU 360 CO -0.23 0.71 0.14 -0.07 -0.34 0.00 0.00 178.44 178.65 1wdm h LEU 361 N 1.04 1.01 -0.63 2.25 3.38 -0.75 -2.53 115.31 119.08 1wdm h LEU 361 Ca 0.27 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1wdm h LEU 361 Cb -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1wdm h LEU 361 CO -0.05 1.00 -0.04 0.78 0.09 0.00 0.00 178.44 180.21 1wdm h ASN 362 N 0.99 1.01 0.09 -0.43 2.35 -1.20 -0.76 115.58 117.63 1wdm h ASN 362 Ca 0.20 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1wdm h ASN 362 Cb 0.39 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1wdm h ASN 362 CO 0.01 1.09 -0.07 0.58 -1.65 0.00 0.00 177.43 177.38 1wdm h VAL 363 N 0.93 0.94 0.08 2.81 2.07 -1.09 0.17 116.25 122.16 1wdm h VAL 363 Ca 0.16 -0.26 -0.21 0.00 0.82 0.00 0.00 66.70 67.22 1wdm h VAL 363 Cb 0.60 1.14 0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1wdm h VAL 363 CO 0.04 0.07 -0.85 0.24 0.02 0.00 0.00 177.57 177.08 1wdm h MET 364 N 0.00 0.43 0.00 1.57 2.86 -1.00 -2.24 114.93 116.56 1wdm h MET 364 Ca -0.00 -0.58 -0.01 0.00 -2.06 0.00 0.00 59.70 57.05 1wdm h MET 364 Cb 0.14 0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1wdm h MET 364 CO 0.01 1.23 -0.07 -0.22 1.06 0.00 0.00 176.91 178.92 1wdm h LYS 365 N -0.10 0.00 0.10 1.72 3.64 -0.13 0.16 116.57 121.97 1wdm h LYS 365 Ca -0.13 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.91 1wdm h LYS 365 Cb 1.60 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.39 1wdm h LYS 365 CO 0.16 0.07 -1.86 1.04 -2.27 0.00 0.00 179.45 176.59 1wdm n GLN 366 N -3.28 0.72 -0.71 1.90 6.02 0.49 -4.34 117.38 118.18 1wdm n GLN 366 Ca -0.01 0.32 0.08 0.00 -0.01 0.00 0.00 57.00 57.39 1wdm n GLN 366 Cb 0.27 -1.71 0.37 0.00 1.02 0.00 0.00 30.24 30.19 1wdm n GLN 366 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1wdm n ASN 367 N -3.68 5.08 -3.34 1.08 3.02 -0.84 -4.97 115.26 111.61 1wdm n ASN 367 Ca -0.32 -2.67 -0.17 0.00 -0.03 0.00 0.00 54.58 51.39 1wdm n ASN 367 Cb 0.97 -0.61 0.05 0.00 -0.61 0.00 0.00 39.78 39.58 1wdm n ASN 367 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wdm n GLY 368 N 0.81 -1.15 3.99 7.41 0.00 -0.39 -5.01 105.19 110.85 1wdm n GLY 368 Ca 0.26 0.54 -0.20 0.00 0.00 0.00 0.00 46.02 46.61 1wdm n GLY 368 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wdm s GLY 369 N -3.32 1.84 0.04 -0.02 0.00 0.43 -5.04 107.32 101.25 1wdm s GLY 369 Ca 0.36 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.55 1wdm s GLY 369 CO 0.78 -1.21 0.00 2.41 0.00 0.00 0.00 173.10 175.08 1wdm n THR 370 N -2.29 0.30 -5.16 0.90 -1.04 -1.26 -4.64 114.28 101.08 1wdm n THR 370 Ca 0.10 0.10 -0.32 0.00 -2.04 0.00 0.00 64.05 61.89 1wdm n THR 370 Cb 0.60 -1.35 -0.17 0.00 -1.82 0.00 0.00 70.33 67.59 1wdm n THR 370 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1wdm s PHE 371 N -2.00 2.51 0.26 -1.42 0.40 -1.26 -0.30 117.98 116.17 1wdm s PHE 371 Ca 0.00 -1.04 0.12 0.00 -0.60 0.00 0.00 56.93 55.40 1wdm s PHE 371 Cb 0.00 -1.68 -0.05 0.00 0.51 0.00 0.00 43.02 41.80 1wdm s PHE 371 CO 0.00 -0.42 -0.20 0.20 0.70 0.00 0.00 175.22 175.49 1wdm s GLY 372 N 0.39 1.84 -0.10 4.36 0.00 -0.72 -1.12 107.32 111.95 1wdm s GLY 372 Ca -0.18 -1.81 -0.01 0.00 0.00 0.00 0.00 44.72 42.72 1wdm s GLY 372 CO 0.08 -1.88 -0.03 -2.27 0.00 0.00 0.00 173.10 169.00 1wdm s LEU 373 N -3.29 0.92 -0.27 0.66 2.96 -0.68 -2.14 118.68 116.84 1wdm s LEU 373 Ca 0.28 -0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1wdm s LEU 373 Cb -0.06 -0.63 0.02 0.00 0.50 0.00 0.00 46.19 46.03 1wdm s LEU 373 CO 0.14 -0.18 0.00 -0.94 -1.32 0.00 0.00 176.35 174.05 1wdm s SER 374 N 1.85 4.68 0.17 3.68 1.04 -0.64 -0.95 113.70 123.53 1wdm s SER 374 Ca 0.04 -0.83 0.02 0.00 0.48 0.00 0.00 55.95 55.67 1wdm s SER 374 Cb -0.13 -1.76 -0.05 0.00 0.10 0.00 0.00 66.02 64.19 1wdm s SER 374 CO -0.07 -0.16 -0.01 0.28 0.98 0.00 0.00 173.24 174.26 1wdm s THR 375 N 1.39 0.73 -0.23 2.02 -1.32 -1.05 -0.57 115.64 116.62 1wdm s THR 375 Ca 0.01 -1.98 -0.28 0.00 -1.21 0.00 0.00 61.69 58.23 1wdm s THR 375 Cb -0.17 -2.08 0.14 0.00 -1.51 0.00 0.00 72.50 68.88 1wdm s THR 375 CO -0.01 -0.52 1.09 0.00 -2.21 0.00 0.00 174.62 172.97 1wdm s MET 376 N -3.89 0.46 0.73 7.08 0.23 -0.72 -2.31 119.30 120.87 1wdm s MET 376 Ca 0.23 0.28 -0.11 0.00 -1.03 0.00 0.00 55.69 55.05 1wdm s MET 376 Cb 0.06 0.22 0.03 0.00 -1.53 0.00 0.00 34.83 33.60 1wdm s MET 376 CO 0.03 -0.11 1.08 0.00 -2.03 0.00 0.00 175.02 174.00 1wdm s ILE 378 N -3.19 0.90 0.53 0.00 1.01 0.10 -4.62 121.20 115.93 1wdm s ILE 378 Ca 0.59 -1.92 -0.20 0.00 0.00 0.00 0.00 60.65 59.12 1wdm s ILE 378 Cb -0.13 -1.67 -0.06 0.00 0.01 0.00 0.00 42.46 40.61 1wdm s ILE 378 CO 0.54 -0.77 1.13 -0.83 0.00 0.00 0.00 174.94 175.01 1wdm s GLY 379 N -2.97 2.66 0.00 6.18 0.00 -1.26 -3.14 107.32 108.79 1wdm s GLY 379 Ca 0.12 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.68 1wdm s GLY 379 CO -0.02 1.21 0.00 1.04 0.00 0.00 0.00 173.10 175.33 1wdm n LEU 380 N -1.18 0.51 -0.06 0.66 7.99 -1.26 -4.27 117.00 119.39 1wdm n LEU 380 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.11 1wdm n LEU 380 Cb 0.51 -1.17 0.00 0.00 -0.11 0.00 0.00 43.42 42.64 1wdm n LEU 380 CO 0.43 -0.39 0.00 0.61 -1.51 0.00 0.00 177.39 176.53 1wdm n GLY 381 N -1.44 0.77 3.37 -0.72 0.00 -1.19 -3.89 105.19 102.10 1wdm n GLY 381 Ca 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 1wdm n GLY 381 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wdm s GLN 382 N -1.96 1.20 0.01 1.61 -0.21 -1.21 -2.37 119.66 116.73 1wdm s GLN 382 Ca 0.00 -1.13 -0.11 0.00 0.02 0.00 0.00 55.36 54.14 1wdm s GLN 382 Cb 0.00 0.40 0.01 0.00 1.00 0.00 0.00 33.01 34.42 1wdm s GLN 382 CO 0.00 -0.45 0.22 0.20 -2.12 0.00 0.00 175.29 173.14 1wdm s GLY 383 N -2.96 -0.03 -0.19 3.09 0.00 0.21 -0.73 107.32 106.72 1wdm s GLY 383 Ca 0.16 -0.03 -0.17 0.00 0.00 0.00 0.00 44.72 44.68 1wdm s GLY 383 CO -0.00 -0.21 0.51 -1.50 0.00 0.00 0.00 173.10 171.90 1wdm s ILE 384 N -1.83 -0.00 0.02 0.90 2.07 -1.11 -0.78 121.20 120.48 1wdm s ILE 384 Ca -0.11 0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 58.97 1wdm s ILE 384 Cb -0.04 -0.71 0.03 0.00 0.13 0.00 0.00 42.46 41.87 1wdm s ILE 384 CO 0.00 0.00 0.37 0.00 -1.91 0.00 0.00 174.94 173.41 1wdm s ALA 385 N 0.31 -0.91 0.08 1.50 0.00 -0.96 -1.76 121.76 120.02 1wdm s ALA 385 Ca -0.00 0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.31 1wdm s ALA 385 Cb -0.04 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 1wdm s ALA 385 CO 0.00 -0.38 -0.14 0.99 0.00 0.00 0.00 175.76 176.22 1wdm s THR 386 N -2.09 1.16 -0.30 0.00 2.01 0.27 -2.52 115.64 114.17 1wdm s THR 386 Ca -0.08 -1.37 0.01 0.00 0.31 0.00 0.00 61.69 60.56 1wdm s THR 386 Cb -0.02 -1.15 0.09 0.00 0.01 0.00 0.00 72.50 71.43 1wdm s THR 386 CO 0.00 -0.24 0.05 -0.69 -0.69 0.00 0.00 174.62 173.05 1wdm s VAL 387 N -1.38 1.39 0.61 3.82 1.01 -0.94 -1.62 120.40 123.29 1wdm s VAL 387 Ca -0.00 -1.61 0.01 0.00 0.00 0.00 0.00 61.98 60.37 1wdm s VAL 387 Cb -0.09 -1.97 0.06 0.00 0.00 0.00 0.00 36.38 34.38 1wdm s VAL 387 CO 0.02 -0.53 0.85 -0.36 0.00 0.00 0.00 175.10 175.08 1wdm s PHE 388 N 1.38 2.46 -0.17 5.22 0.40 -0.91 -0.16 117.98 126.19 1wdm s PHE 388 Ca 0.07 -0.09 -0.07 0.00 -0.60 0.00 0.00 56.93 56.24 1wdm s PHE 388 Cb -0.18 -2.82 0.07 0.00 0.51 0.00 0.00 43.02 40.60 1wdm s PHE 388 CO -0.16 -1.14 0.38 -2.00 0.70 0.00 0.00 175.22 173.00 1wdm s GLU 389 N -4.89 0.31 -0.16 0.44 2.12 -0.58 -1.76 118.70 114.18 1wdm s GLU 389 Ca 0.60 0.86 -0.29 0.00 0.36 0.00 0.00 54.97 56.50 1wdm s GLU 389 Cb -0.09 0.11 -0.00 0.00 0.26 0.00 0.00 34.13 34.41 1wdm s GLU 389 CO 0.40 -0.22 1.01 1.03 -0.54 0.00 0.00 175.26 176.95 1wdm s ARG 390 N 2.05 4.36 0.00 4.30 1.81 0.59 -1.06 118.95 130.99 1wdm s ARG 390 Ca -0.05 1.37 0.00 0.00 -1.72 0.00 0.00 55.73 55.33 1wdm s ARG 390 Cb -0.11 -3.58 0.00 0.00 -0.45 0.00 0.00 34.95 30.81 1wdm s ARG 390 CO -0.12 -0.44 0.00 1.55 -0.68 0.00 0.00 175.30 175.61