#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wfm s GLN 10 N 0.00 4.11 0.18 3.69 0.74 -1.26 -5.03 119.66 122.09 2wfm s GLN 10 Ca 0.00 0.22 0.06 0.00 0.05 0.00 0.00 55.36 55.69 2wfm s GLN 10 Cb 0.00 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.72 2wfm s GLN 10 CO 0.00 0.39 0.14 0.15 -0.55 0.00 0.00 175.29 175.42 2wfm s LYS 11 N -0.03 2.87 -0.32 1.67 -0.14 -1.26 -4.97 119.74 117.56 2wfm s LYS 11 Ca 0.20 -0.93 0.00 0.00 -1.36 0.00 0.00 55.97 53.88 2wfm s LYS 11 Cb -0.14 -2.61 0.07 0.00 -1.68 0.00 0.00 37.83 33.48 2wfm s LYS 11 CO 0.07 0.46 0.02 -1.58 -0.76 0.00 0.00 175.35 173.56 2wfm s HIS 12 N -1.84 3.42 -0.14 3.18 5.65 -1.26 -1.06 115.29 123.24 2wfm s HIS 12 Ca 0.31 -2.31 -0.21 0.00 0.25 0.00 0.00 55.06 53.11 2wfm s HIS 12 Cb -0.09 -2.41 -0.03 0.00 -1.18 0.00 0.00 32.58 28.86 2wfm s HIS 12 CO 0.23 -0.88 0.61 -0.06 -0.65 0.00 0.00 174.74 173.99 2wfm s PHE 13 N 1.12 3.46 -0.24 3.88 0.08 0.49 -1.41 117.98 125.36 2wfm s PHE 13 Ca -0.01 1.00 -0.05 0.00 0.12 0.00 0.00 56.93 57.99 2wfm s PHE 13 Cb -0.20 -2.74 -0.01 0.00 -0.57 0.00 0.00 43.02 39.50 2wfm s PHE 13 CO -0.04 -0.02 -0.00 0.08 -0.10 0.00 0.00 175.22 175.14 2wfm s VAL 14 N 1.29 3.66 -0.18 -0.44 1.01 -0.16 -0.38 120.40 125.20 2wfm s VAL 14 Ca 0.30 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 2wfm s VAL 14 Cb -0.16 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 2wfm s VAL 14 CO 0.12 0.35 0.01 -0.76 0.00 0.00 0.00 175.10 174.83 2wfm s LEU 15 N 1.51 3.43 -0.17 3.92 1.43 -0.03 -1.89 118.68 126.88 2wfm s LEU 15 Ca 0.05 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2wfm s LEU 15 Cb -0.15 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.25 2wfm s LEU 15 CO -0.01 0.12 -0.10 -0.69 0.23 0.00 0.00 176.35 175.90 2wfm s VAL 16 N 0.66 1.49 0.68 -1.59 1.01 0.21 -2.56 120.40 120.30 2wfm s VAL 16 Ca 0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.06 2wfm s VAL 16 Cb -0.14 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.71 2wfm s VAL 16 CO 0.02 0.25 1.07 -1.38 0.00 0.00 0.00 175.10 175.06 2wfm s HIS 17 N 1.48 2.94 0.00 5.22 -3.43 -1.26 -2.11 115.29 118.13 2wfm s HIS 17 Ca 0.01 1.48 0.00 0.00 -0.80 0.00 0.00 55.06 55.75 2wfm s HIS 17 Cb -0.15 -2.97 0.00 0.00 -1.43 0.00 0.00 32.58 28.03 2wfm s HIS 17 CO -0.09 -1.34 0.00 0.41 -2.00 0.00 0.00 174.74 171.72 2wfm n GLY 18 N -1.43 -0.34 3.77 -1.38 0.00 -1.21 -3.78 105.19 100.83 2wfm n GLY 18 Ca 0.08 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 2wfm n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wfm s GLY 19 N -2.65 2.99 0.00 -0.02 0.00 -1.26 -2.99 107.32 103.39 2wfm s GLY 19 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 44.72 46.03 2wfm s GLY 19 CO 0.00 1.96 0.00 0.00 0.00 0.00 0.00 173.10 175.06 2wfm n LEU 21 N 0.00 0.00 -3.85 0.00 4.77 -1.16 -2.92 117.00 113.83 2wfm n LEU 21 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 2wfm n LEU 21 Cb 0.03 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2wfm n LEU 21 CO 0.00 -0.00 0.76 -0.83 -1.33 0.00 0.00 177.39 175.98 2wfm s GLY 22 N -0.52 0.11 0.51 -0.72 0.00 -1.26 -3.37 107.32 102.08 2wfm s GLY 22 Ca 0.00 -0.34 0.30 0.00 0.00 0.00 0.00 44.72 44.68 2wfm s GLY 22 CO 0.00 1.69 1.86 0.00 0.00 0.00 0.00 173.10 176.65 2wfm h ALA 23 N 2.00 2.77 0.00 3.20 0.00 -1.87 -2.67 119.26 122.69 2wfm h ALA 23 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wfm h ALA 23 Cb 1.22 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2wfm h ALA 23 CO 0.35 -1.06 0.01 -2.67 0.00 0.00 0.00 179.25 175.88 2wfm n TRP 24 N -4.31 0.45 0.36 0.00 4.27 -1.26 -1.16 117.44 115.80 2wfm n TRP 24 Ca 0.21 0.24 0.14 0.00 -3.89 0.00 0.00 57.50 54.19 2wfm n TRP 24 Cb 0.98 -0.87 0.49 0.00 -1.36 0.00 0.00 31.31 30.55 2wfm n TRP 24 CO 0.00 0.00 0.00 -0.84 -2.29 0.00 0.00 177.69 174.56 2wfm h ILE 25 N 0.00 0.00 -0.49 -1.67 3.07 -1.90 -2.92 117.51 113.60 2wfm h ILE 25 Ca 0.00 -0.50 -0.01 0.00 1.55 0.00 0.00 64.86 65.89 2wfm h ILE 25 Cb 0.01 1.42 -0.01 0.00 -0.27 0.00 0.00 36.82 37.97 2wfm h ILE 25 CO 0.00 0.00 0.02 0.79 -1.05 0.00 0.00 178.15 177.91 2wfm n TRP 26 N -2.69 1.77 0.45 0.16 7.02 -0.31 -4.47 117.44 119.37 2wfm n TRP 26 Ca 0.02 -0.64 0.12 0.00 -1.02 0.00 0.00 57.50 55.99 2wfm n TRP 26 Cb 0.34 -0.46 0.47 0.00 -2.42 0.00 0.00 31.31 29.25 2wfm n TRP 26 CO 0.00 0.00 0.00 2.48 -2.02 0.00 0.00 177.69 178.15 2wfm n TYR 27 N 0.47 0.82 -0.10 -5.99 0.18 -1.10 -1.21 117.16 110.23 2wfm n TYR 27 Ca 0.24 0.30 -0.12 0.00 1.88 0.00 0.00 57.90 60.21 2wfm n TYR 27 Cb 1.06 -0.99 -0.15 0.00 -0.38 0.00 0.00 39.34 38.87 2wfm n TYR 27 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 2wfm n LYS 28 N -2.23 0.68 0.14 -3.48 5.02 -1.26 -4.45 118.16 112.57 2wfm n LYS 28 Ca 0.03 0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 56.14 2wfm n LYS 28 Cb 0.27 -1.55 -0.15 0.00 -0.02 0.00 0.00 35.03 33.58 2wfm n LYS 28 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2wfm h LEU 29 N 0.00 0.82 -0.30 -0.35 5.85 -1.68 -3.32 115.31 116.33 2wfm h LEU 29 Ca -0.53 -0.86 0.06 0.00 0.84 0.00 0.00 57.88 57.40 2wfm h LEU 29 Cb 2.15 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 42.86 2wfm h LEU 29 CO 0.01 1.67 -0.09 0.50 -0.34 0.00 0.00 178.44 180.19 2wfm h LYS 30 N 0.17 -0.02 0.00 1.25 3.64 -1.40 -0.98 116.57 119.23 2wfm h LYS 30 Ca -0.24 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.09 2wfm h LYS 30 Cb 2.11 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.93 2wfm h LYS 30 CO 0.27 -0.02 -0.25 -1.00 -2.27 0.00 0.00 179.45 176.17 2wfm h PRO 31 N -0.03 0.00 -0.31 1.90 0.13 -1.78 -1.41 132.00 130.50 2wfm h PRO 31 Ca 0.15 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.19 2wfm h PRO 31 Cb 0.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.37 2wfm h PRO 31 CO -0.32 0.25 -0.13 -0.07 -0.23 0.00 0.00 178.00 177.50 2wfm h LEU 32 N 0.00 0.66 -0.70 1.56 3.38 -1.44 -0.05 115.31 118.72 2wfm h LEU 32 Ca -0.00 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.48 2wfm h LEU 32 Cb 0.52 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2wfm h LEU 32 CO 0.03 0.91 0.04 -0.07 0.09 0.00 0.00 178.44 179.44 2wfm h LEU 33 N 0.41 1.01 -0.55 1.67 3.38 -0.92 -2.43 115.31 117.88 2wfm h LEU 33 Ca 0.07 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 2wfm h LEU 33 Cb 0.65 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2wfm h LEU 33 CO 0.04 1.04 -0.09 -0.33 0.09 0.00 0.00 178.44 179.20 2wfm h GLU 34 N 0.97 1.03 -0.89 1.13 5.08 -1.17 -1.99 114.58 118.73 2wfm h GLU 34 Ca 0.18 -0.37 0.11 0.00 -1.00 0.00 0.00 59.36 58.28 2wfm h GLU 34 Cb 0.50 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.61 2wfm h GLU 34 CO 0.02 1.06 0.57 0.77 -1.00 0.00 0.00 179.01 180.44 2wfm h SER 35 N 0.91 0.77 0.49 1.42 0.02 -0.97 -1.10 113.55 115.08 2wfm h SER 35 Ca 0.14 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2wfm h SER 35 Cb 0.65 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2wfm h SER 35 CO 0.05 0.44 0.00 0.00 -1.14 0.00 0.00 176.83 176.17 2wfm n ALA 36 N -2.41 2.05 0.00 3.77 0.00 -0.91 -4.87 120.51 118.14 2wfm n ALA 36 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2wfm n ALA 36 Cb 0.35 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2wfm n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wfm n GLY 37 N 0.54 1.18 3.70 0.00 0.00 -0.42 -5.09 105.19 105.11 2wfm n GLY 37 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2wfm n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wfm s HIS 38 N -2.00 2.73 -0.04 1.61 3.76 -0.80 -4.68 115.29 115.88 2wfm s HIS 38 Ca 0.00 -0.31 -0.14 0.00 -0.15 0.00 0.00 55.06 54.46 2wfm s HIS 38 Cb 0.00 -1.45 -0.05 0.00 1.11 0.00 0.00 32.58 32.18 2wfm s HIS 38 CO 0.00 0.46 0.38 0.21 -0.85 0.00 0.00 174.74 174.94 2wfm s LYS 39 N -3.78 3.94 -0.05 1.40 2.20 -0.22 -4.03 119.74 119.20 2wfm s LYS 39 Ca 0.35 0.34 0.02 0.00 -0.36 0.00 0.00 55.97 56.31 2wfm s LYS 39 Cb -0.04 -3.26 0.02 0.00 -1.51 0.00 0.00 37.83 33.04 2wfm s LYS 39 CO 0.22 0.61 -0.08 0.08 -0.36 0.00 0.00 175.35 175.81 2wfm s VAL 40 N -0.78 0.83 -0.18 4.02 1.01 -1.26 -0.38 120.40 123.66 2wfm s VAL 40 Ca 0.22 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.90 2wfm s VAL 40 Cb -0.16 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.44 2wfm s VAL 40 CO 0.11 0.29 -0.15 -0.89 0.00 0.00 0.00 175.10 174.46 2wfm s THR 41 N 0.76 2.51 -0.30 3.92 2.01 0.49 -4.98 115.64 120.05 2wfm s THR 41 Ca -0.13 -0.80 -0.05 0.00 0.31 0.00 0.00 61.69 61.03 2wfm s THR 41 Cb -0.15 -2.08 0.03 0.00 0.01 0.00 0.00 72.50 70.31 2wfm s THR 41 CO 0.02 0.51 0.05 0.00 -0.69 0.00 0.00 174.62 174.50 2wfm s ALA 42 N 1.19 2.94 0.15 7.40 0.00 -1.26 -0.85 121.76 131.33 2wfm s ALA 42 Ca 0.02 -1.63 -0.12 0.00 0.00 0.00 0.00 51.96 50.23 2wfm s ALA 42 Cb -0.14 -2.07 -0.07 0.00 0.00 0.00 0.00 23.12 20.84 2wfm s ALA 42 CO -0.07 -1.13 0.50 0.54 0.00 0.00 0.00 175.76 175.60 2wfm s VAL 43 N 1.38 4.95 -0.28 0.00 0.11 -1.06 -4.80 120.40 120.70 2wfm s VAL 43 Ca -0.01 0.62 -0.15 0.00 -2.93 0.00 0.00 61.98 59.51 2wfm s VAL 43 Cb -0.18 -3.68 -0.03 0.00 -1.53 0.00 0.00 36.38 30.95 2wfm s VAL 43 CO 0.01 0.18 0.37 -1.81 -3.33 0.00 0.00 175.10 170.52 2wfm s ASP 44 N -1.89 6.24 1.05 3.54 1.01 -1.26 -3.51 116.67 121.85 2wfm s ASP 44 Ca 0.39 0.23 -0.16 0.00 0.71 0.00 0.00 52.55 53.72 2wfm s ASP 44 Cb -0.14 -2.21 0.22 0.00 1.01 0.00 0.00 42.92 41.80 2wfm s ASP 44 CO 0.19 -0.20 1.15 -0.76 0.21 0.00 0.00 175.17 175.76 2wfm s LEU 45 N 2.07 1.52 0.23 1.23 1.43 -1.26 -4.71 118.68 119.18 2wfm s LEU 45 Ca 0.15 0.75 -0.31 0.00 -1.03 0.00 0.00 54.13 53.69 2wfm s LEU 45 Cb -0.16 -2.76 -0.11 0.00 0.03 0.00 0.00 46.19 43.20 2wfm s LEU 45 CO 0.10 -3.33 1.55 -0.44 0.23 0.00 0.00 176.35 174.46 2wfm s SER 46 N -4.02 6.53 -1.64 2.29 0.01 -0.62 -1.86 113.70 114.40 2wfm s SER 46 Ca 0.69 2.74 0.00 0.00 1.31 0.00 0.00 55.95 60.69 2wfm s SER 46 Cb -0.12 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2wfm s SER 46 CO 0.55 -0.82 0.00 0.00 0.41 0.00 0.00 173.24 173.38 2wfm n ALA 47 N 2.98 -0.25 -2.55 1.44 0.00 -1.25 -4.92 120.51 115.97 2wfm n ALA 47 Ca 0.10 0.25 -0.26 0.00 0.00 0.00 0.00 53.44 53.53 2wfm n ALA 47 Cb 0.38 -1.67 -0.10 0.00 0.00 0.00 0.00 19.45 18.07 2wfm n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wfm s ALA 48 N -2.59 2.88 0.00 0.00 0.00 -0.78 -4.75 121.76 116.52 2wfm s ALA 48 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.42 2wfm s ALA 48 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.48 2wfm s ALA 48 CO 0.00 0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.60 2wfm n GLY 49 N -0.03 3.33 1.46 0.00 0.00 -1.22 -1.23 105.19 107.51 2wfm n GLY 49 Ca -0.10 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 45.91 2wfm n GLY 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wfm n ILE 50 N 0.00 2.52 -1.98 -0.61 -5.35 -1.26 -4.94 119.36 107.74 2wfm n ILE 50 Ca 0.00 -1.59 -0.42 0.00 -0.27 0.00 0.00 62.75 60.47 2wfm n ILE 50 Cb 0.00 -0.24 -0.03 0.00 -1.74 0.00 0.00 39.64 37.63 2wfm n ILE 50 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2wfm s ASN 51 N -1.27 6.62 0.11 7.28 3.84 -0.37 -4.92 114.94 126.24 2wfm s ASN 51 Ca 0.49 2.61 0.24 0.00 0.21 0.00 0.00 52.86 56.42 2wfm s ASN 51 Cb 0.38 -2.60 0.94 0.00 -0.55 0.00 0.00 41.25 39.42 2wfm s ASN 51 CO 0.13 -0.77 1.75 -0.81 -2.79 0.00 0.00 177.10 174.61 2wfm n PRO 52 N 3.41 0.11 -2.04 0.43 -0.04 -1.26 -4.31 135.00 131.30 2wfm n PRO 52 Ca 0.11 0.19 -0.34 0.00 -0.04 0.00 0.00 63.50 63.42 2wfm n PRO 52 Cb 0.39 -1.66 0.02 0.00 -0.04 0.00 0.00 33.50 32.22 2wfm n PRO 52 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wfm s ARG 53 N -3.09 3.11 0.05 0.54 1.81 -1.26 -4.97 118.95 115.14 2wfm s ARG 53 Ca 0.10 1.52 -0.04 0.00 -1.72 0.00 0.00 55.73 55.59 2wfm s ARG 53 Cb 0.13 -1.98 -0.05 0.00 -0.45 0.00 0.00 34.95 32.61 2wfm s ARG 53 CO 0.47 -1.03 0.27 1.03 -0.68 0.00 0.00 175.30 175.37 2wfm s ARG 54 N -3.63 3.54 0.28 3.54 0.52 -1.26 -3.75 118.95 118.19 2wfm s ARG 54 Ca 0.70 -0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.74 2wfm s ARG 54 Cb -0.23 -3.02 0.54 0.00 0.52 0.00 0.00 34.95 32.76 2wfm s ARG 54 CO 0.33 0.60 1.82 1.25 0.02 0.00 0.00 175.30 179.32 2wfm h LEU 55 N 3.52 0.84 0.00 2.53 5.85 -1.90 -1.00 115.31 125.15 2wfm h LEU 55 Ca -0.48 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2wfm h LEU 55 Cb 1.18 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2wfm h LEU 55 CO 0.70 0.43 0.00 -0.90 -0.34 0.00 0.00 178.44 178.33 2wfm n ASP 56 N -4.68 0.00 -1.12 1.25 5.68 -1.26 -1.22 116.55 115.20 2wfm n ASP 56 Ca 0.18 -0.31 0.09 0.00 -0.50 0.00 0.00 54.79 54.25 2wfm n ASP 56 Cb 0.37 -0.11 0.27 0.00 -1.14 0.00 0.00 41.12 40.51 2wfm n ASP 56 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2wfm n GLU 57 N -1.11 3.10 -4.03 0.11 0.28 -0.38 -4.83 120.64 113.78 2wfm n GLU 57 Ca 0.11 -2.54 -0.31 0.00 -0.16 0.00 0.00 57.16 54.26 2wfm n GLU 57 Cb 0.08 -1.59 -0.15 0.00 1.43 0.00 0.00 31.44 31.21 2wfm n GLU 57 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2wfm s ILE 58 N -1.45 2.01 -0.40 3.84 -1.09 -0.36 -4.96 121.20 118.79 2wfm s ILE 58 Ca 0.40 -1.62 0.09 0.00 -2.23 0.00 0.00 60.65 57.29 2wfm s ILE 58 Cb 0.24 -2.20 -0.10 0.00 -1.58 0.00 0.00 42.46 38.81 2wfm s ILE 58 CO 0.22 -0.13 0.37 1.41 -1.23 0.00 0.00 174.94 175.58 2wfm n HIS 59 N 4.47 0.00 -4.31 3.97 8.25 -1.26 -4.95 115.22 121.39 2wfm n HIS 59 Ca -0.11 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.13 2wfm n HIS 59 Cb 0.42 -0.02 -0.12 0.00 1.12 0.00 0.00 29.99 31.40 2wfm n HIS 59 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2wfm s THR 60 N -1.92 1.74 0.30 1.59 -4.23 -1.26 -4.78 115.64 107.08 2wfm s THR 60 Ca 0.03 -1.76 0.13 0.00 -1.18 0.00 0.00 61.69 58.91 2wfm s THR 60 Cb 0.07 -1.71 0.06 0.00 1.34 0.00 0.00 72.50 72.26 2wfm s THR 60 CO 0.38 -0.22 1.73 0.15 -0.54 0.00 0.00 174.62 176.11 2wfm h PHE 61 N 3.59 0.00 -0.16 3.99 3.57 -1.93 -0.36 116.94 125.63 2wfm h PHE 61 Ca -0.44 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 2wfm h PHE 61 Cb 1.20 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 2wfm h PHE 61 CO 0.65 0.47 0.03 -0.09 -2.23 0.00 0.00 178.31 177.14 2wfm h ARG 62 N 0.00 0.27 -0.46 1.11 2.43 -1.96 -1.03 114.38 114.73 2wfm h ARG 62 Ca -0.00 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.15 2wfm h ARG 62 Cb 0.86 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.33 2wfm h ARG 62 CO 0.06 0.44 0.17 -0.44 -1.51 0.00 0.00 179.97 178.69 2wfm h ASP 63 N 0.05 0.18 -0.56 -3.80 5.19 -1.90 -2.50 116.42 113.09 2wfm h ASP 63 Ca 0.05 0.05 0.10 0.00 -0.62 0.00 0.00 57.03 56.61 2wfm h ASP 63 Cb 0.30 0.03 -0.08 0.00 0.18 0.00 0.00 39.33 39.77 2wfm h ASP 63 CO 0.00 0.14 0.13 0.22 -3.12 0.00 0.00 179.24 176.61 2wfm h TYR 64 N 0.34 0.22 -0.16 4.55 3.20 -0.86 -2.63 116.97 121.63 2wfm h TYR 64 Ca 0.22 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.12 2wfm h TYR 64 Cb 0.21 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.47 2wfm h TYR 64 CO -0.15 0.00 0.00 0.43 -1.64 0.00 0.00 178.16 176.80 2wfm n SER 65 N -5.10 1.15 0.14 -2.11 7.64 -0.41 -1.59 113.62 113.35 2wfm n SER 65 Ca 0.07 -1.77 0.03 0.00 1.01 0.00 0.00 58.87 58.21 2wfm n SER 65 Cb 0.28 -0.10 0.41 0.00 -1.01 0.00 0.00 64.21 63.78 2wfm n SER 65 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2wfm h GLU 66 N 1.40 0.17 0.00 1.43 4.57 -1.06 -1.61 114.58 119.48 2wfm h GLU 66 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2wfm h GLU 66 Cb 0.31 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 2wfm h GLU 66 CO 0.00 0.34 0.00 -1.35 -1.18 0.00 0.00 179.01 176.82 2wfm h PRO 67 N 0.16 0.00 0.03 0.92 0.11 -1.83 -2.00 132.00 129.40 2wfm h PRO 67 Ca 0.03 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.92 2wfm h PRO 67 Cb 0.40 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 2wfm h PRO 67 CO 0.03 0.00 -0.98 1.25 -0.21 0.00 0.00 178.00 178.08 2wfm h LEU 68 N 0.00 0.35 -0.88 2.35 5.85 -1.62 -2.92 115.31 118.44 2wfm h LEU 68 Ca 0.00 -0.31 -0.09 0.00 0.84 0.00 0.00 57.88 58.32 2wfm h LEU 68 Cb 0.62 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2wfm h LEU 68 CO 0.00 1.14 -0.14 0.24 -0.34 0.00 0.00 178.44 179.35 2wfm h MET 69 N 0.13 0.67 -0.64 1.25 2.86 -1.15 -1.25 114.93 116.80 2wfm h MET 69 Ca -0.07 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.28 2wfm h MET 69 Cb 1.64 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 33.22 2wfm h MET 69 CO 0.16 0.78 0.16 0.93 1.06 0.00 0.00 176.91 180.00 2wfm h GLU 70 N 0.61 1.03 -0.15 1.72 5.08 -1.41 -0.29 114.58 121.17 2wfm h GLU 70 Ca 0.10 -0.25 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2wfm h GLU 70 Cb 0.59 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2wfm h GLU 70 CO 0.04 0.92 -0.04 0.28 -1.00 0.00 0.00 179.01 179.22 2wfm h VAL 71 N 0.95 0.85 -0.78 3.13 2.07 -1.27 -2.89 116.25 118.30 2wfm h VAL 71 Ca 0.20 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.81 2wfm h VAL 71 Cb 0.36 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 2wfm h VAL 71 CO 0.00 0.00 0.44 0.24 0.02 0.00 0.00 177.57 178.27 2wfm h MET 72 N -0.00 0.73 0.00 1.57 2.86 -0.87 -2.57 114.93 116.65 2wfm h MET 72 Ca 0.07 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 2wfm h MET 72 Cb 0.11 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2wfm h MET 72 CO -0.16 0.48 -0.19 0.00 1.06 0.00 0.00 176.91 178.10 2wfm h ALA 73 N 1.43 1.17 -0.25 6.32 0.00 -1.00 -2.90 119.26 124.03 2wfm h ALA 73 Ca 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2wfm h ALA 73 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2wfm h ALA 73 CO -0.24 0.24 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 2wfm n SER 74 N -3.57 2.22 -4.70 0.00 3.41 -0.97 -4.88 113.62 105.13 2wfm n SER 74 Ca -0.01 -1.82 -0.42 0.00 -0.26 0.00 0.00 58.87 56.36 2wfm n SER 74 Cb 0.33 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 2wfm n SER 74 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wfm s ILE 75 N -1.68 4.00 0.81 -1.33 1.01 -1.10 -5.00 121.20 117.90 2wfm s ILE 75 Ca 0.34 1.40 -0.11 0.00 0.00 0.00 0.00 60.65 62.27 2wfm s ILE 75 Cb 0.19 -3.90 0.08 0.00 0.01 0.00 0.00 42.46 38.83 2wfm s ILE 75 CO 0.27 0.05 1.09 -2.84 0.00 0.00 0.00 174.94 173.51 2wfm s PRO 76 N 1.68 2.00 0.27 2.79 0.02 -1.26 -4.93 135.00 135.56 2wfm s PRO 76 Ca 0.59 1.00 -0.09 0.00 0.02 0.00 0.00 61.00 62.52 2wfm s PRO 76 Cb -0.29 -1.88 0.42 0.00 0.02 0.00 0.00 34.50 32.77 2wfm s PRO 76 CO 0.26 -1.77 1.57 -1.35 -0.33 0.00 0.00 177.00 175.38 2wfm h PRO 77 N -1.21 -0.00 0.09 5.54 0.11 -1.99 -2.71 132.00 131.82 2wfm h PRO 77 Ca -0.46 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.37 2wfm h PRO 77 Cb 1.25 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.38 2wfm h PRO 77 CO 0.54 -0.00 -1.15 0.22 -0.21 0.00 0.00 178.00 177.39 2wfm h ASP 78 N -0.00 0.87 -4.16 -2.05 3.58 -2.01 -3.48 116.42 109.16 2wfm h ASP 78 Ca 0.45 -0.80 -0.49 0.00 0.42 0.00 0.00 57.03 56.61 2wfm h ASP 78 Cb 0.69 -0.27 0.14 0.00 1.72 0.00 0.00 39.33 41.60 2wfm h ASP 78 CO -0.97 1.57 0.28 -1.61 -2.88 0.00 0.00 179.24 175.64 2wfm s GLU 79 N -3.06 1.64 0.17 0.28 2.02 -1.03 -5.09 118.70 113.64 2wfm s GLU 79 Ca -0.10 0.89 0.02 0.00 0.02 0.00 0.00 54.97 55.80 2wfm s GLU 79 Cb 0.06 -1.85 -0.05 0.00 0.10 0.00 0.00 34.13 32.39 2wfm s GLU 79 CO 0.92 -2.00 -0.00 0.15 0.02 0.00 0.00 175.26 174.35 2wfm s LYS 80 N -4.95 1.12 0.25 1.61 1.02 -1.26 -4.78 119.74 112.74 2wfm s LYS 80 Ca 0.62 -1.54 0.11 0.00 0.02 0.00 0.00 55.97 55.19 2wfm s LYS 80 Cb -0.17 -0.29 -0.05 0.00 -0.52 0.00 0.00 37.83 36.80 2wfm s LYS 80 CO 0.56 -0.12 -0.20 0.14 -0.92 0.00 0.00 175.35 174.81 2wfm s VAL 81 N -3.63 2.38 -0.21 3.17 -7.23 -0.04 -4.46 120.40 110.37 2wfm s VAL 81 Ca 0.24 -2.31 -0.10 0.00 -1.81 0.00 0.00 61.98 58.00 2wfm s VAL 81 Cb 0.06 -2.23 -0.05 0.00 0.56 0.00 0.00 36.38 34.72 2wfm s VAL 81 CO 0.04 -0.36 0.14 -0.69 -0.31 0.00 0.00 175.10 173.92 2wfm s VAL 82 N -2.37 5.40 -0.02 1.32 1.01 -0.50 -0.51 120.40 124.73 2wfm s VAL 82 Ca 0.27 0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.36 2wfm s VAL 82 Cb -0.05 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 2wfm s VAL 82 CO 0.13 0.42 0.28 -0.76 0.00 0.00 0.00 175.10 175.17 2wfm s LEU 83 N 0.49 4.40 -0.09 3.92 1.43 -0.66 -0.99 118.68 127.18 2wfm s LEU 83 Ca 0.08 0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 53.80 2wfm s LEU 83 Cb -0.11 -2.54 0.04 0.00 0.03 0.00 0.00 46.19 43.60 2wfm s LEU 83 CO -0.01 0.30 0.04 -0.22 0.23 0.00 0.00 176.35 176.69 2wfm s LEU 84 N -1.46 0.45 0.03 1.79 2.96 -0.79 0.88 118.68 122.55 2wfm s LEU 84 Ca 0.24 -0.19 0.08 0.00 -0.22 0.00 0.00 54.13 54.04 2wfm s LEU 84 Cb -0.14 -0.32 -0.02 0.00 0.50 0.00 0.00 46.19 46.21 2wfm s LEU 84 CO 0.13 -0.25 -0.22 -0.83 -1.32 0.00 0.00 176.35 173.86 2wfm s GLY 85 N 2.06 1.16 0.11 7.98 0.00 -0.13 -0.62 107.32 117.87 2wfm s GLY 85 Ca 0.04 -1.07 0.09 0.00 0.00 0.00 0.00 44.72 43.78 2wfm s GLY 85 CO -0.05 -0.97 -0.19 -2.38 0.00 0.00 0.00 173.10 169.51 2wfm s HIS 86 N -0.74 2.52 0.00 1.90 -0.00 -0.90 -0.95 115.29 117.12 2wfm s HIS 86 Ca 0.08 -0.27 0.00 0.00 -0.00 0.00 0.00 55.06 54.87 2wfm s HIS 86 Cb -0.09 -1.35 0.00 0.00 -0.00 0.00 0.00 32.58 31.14 2wfm s HIS 86 CO 0.01 0.37 0.00 0.45 -0.00 0.00 0.00 174.74 175.57 2wfm n SER 87 N 0.90 0.00 0.28 7.38 2.88 -0.72 -0.24 113.62 124.10 2wfm n SER 87 Ca -0.16 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.56 2wfm n SER 87 Cb 0.53 0.00 0.97 0.00 -0.75 0.00 0.00 64.21 64.95 2wfm n SER 87 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2wfm h PHE 88 N 0.00 0.00 -0.29 0.66 3.57 -1.88 -1.00 116.94 117.99 2wfm h PHE 88 Ca 0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 2wfm h PHE 88 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2wfm h PHE 88 CO 0.00 0.00 0.42 0.78 -2.23 0.00 0.00 178.31 177.28 2wfm h GLY 89 N 0.00 0.00 1.86 2.40 0.00 -0.71 -1.41 103.07 105.22 2wfm h GLY 89 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 2wfm h GLY 89 CO -0.00 0.00 0.08 -1.33 0.00 0.00 0.00 176.54 175.29 2wfm h GLY 90 N 0.00 0.20 1.08 4.60 0.00 -1.30 -2.46 103.07 105.18 2wfm h GLY 90 Ca 0.14 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 2wfm h GLY 90 CO -0.00 0.07 -0.10 -0.33 0.00 0.00 0.00 176.54 176.18 2wfm h MET 91 N 0.19 1.01 -0.63 4.80 2.07 -1.38 -1.52 114.93 119.47 2wfm h MET 91 Ca 0.05 -0.38 -0.09 0.00 -2.07 0.00 0.00 59.70 57.21 2wfm h MET 91 Cb -0.00 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.64 2wfm h MET 91 CO -0.01 1.06 0.04 0.77 1.07 0.00 0.00 176.91 179.84 2wfm h SER 92 N 0.89 1.06 -0.38 1.22 0.02 -1.64 -2.07 113.55 112.65 2wfm h SER 92 Ca 0.14 -0.29 0.07 0.00 -0.84 0.00 0.00 61.79 60.86 2wfm h SER 92 Cb 0.67 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 2wfm h SER 92 CO 0.05 1.09 0.03 -0.07 -1.14 0.00 0.00 176.83 176.78 2wfm h LEU 93 N 1.00 -0.10 -1.16 5.07 4.07 -1.35 -1.75 115.31 121.08 2wfm h LEU 93 Ca 0.18 0.08 0.07 0.00 0.08 0.00 0.00 57.88 58.29 2wfm h LEU 93 Cb 0.52 0.13 -0.06 0.00 1.08 0.00 0.00 40.66 42.34 2wfm h LEU 93 CO 0.03 -0.02 0.58 1.23 -1.08 0.00 0.00 178.44 179.18 2wfm h GLY 94 N 0.13 1.29 1.68 0.83 0.00 -0.61 0.17 103.07 106.57 2wfm h GLY 94 Ca 0.19 -0.40 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 2wfm h GLY 94 CO -0.29 0.29 -0.60 -2.00 0.00 0.00 0.00 176.54 173.94 2wfm h LEU 95 N 1.00 0.37 -0.41 3.11 5.85 -0.98 -0.40 115.31 123.86 2wfm h LEU 95 Ca 0.39 -0.21 -0.18 0.00 0.84 0.00 0.00 57.88 58.72 2wfm h LEU 95 Cb 0.21 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 2wfm h LEU 95 CO -0.14 0.88 -0.58 0.00 -0.34 0.00 0.00 178.44 178.26 2wfm h ALA 96 N 1.12 0.58 -0.29 1.25 0.00 -0.47 -2.36 119.26 119.09 2wfm h ALA 96 Ca -0.01 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 2wfm h ALA 96 Cb 1.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2wfm h ALA 96 CO 0.10 0.69 -0.20 0.52 0.00 0.00 0.00 179.25 180.36 2wfm h MET 97 N 0.52 0.54 -0.13 0.00 2.86 -0.49 0.17 114.93 118.39 2wfm h MET 97 Ca 0.00 -0.19 -0.16 0.00 -2.06 0.00 0.00 59.70 57.29 2wfm h MET 97 Cb 1.15 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 2wfm h MET 97 CO 0.12 0.71 -0.60 1.49 1.06 0.00 0.00 176.91 179.69 2wfm h GLU 98 N 0.48 0.45 0.08 1.72 4.57 -1.00 -3.12 114.58 117.76 2wfm h GLU 98 Ca 0.08 -0.30 -0.36 0.00 -1.18 0.00 0.00 59.36 57.59 2wfm h GLU 98 Cb 0.62 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.22 2wfm h GLU 98 CO 0.04 0.91 -2.07 2.41 -1.18 0.00 0.00 179.01 179.12 2wfm n THR 99 N -3.91 1.68 -2.75 0.32 -1.04 -0.90 -4.51 114.28 103.17 2wfm n THR 99 Ca -0.03 -0.67 -0.20 0.00 -2.04 0.00 0.00 64.05 61.11 2wfm n THR 99 Cb 0.63 -1.51 -0.00 0.00 -1.82 0.00 0.00 70.33 67.62 2wfm n THR 99 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2wfm n TYR 100 N -3.34 2.27 -0.35 -1.42 4.01 0.56 -4.95 117.16 113.94 2wfm n TYR 100 Ca -0.33 -3.32 0.02 0.00 -0.16 0.00 0.00 57.90 54.12 2wfm n TYR 100 Cb 1.04 -0.31 0.18 0.00 -0.31 0.00 0.00 39.34 39.94 2wfm n TYR 100 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2wfm h PRO 101 N 2.86 1.13 0.00 -0.72 0.13 -1.69 -1.99 132.00 131.73 2wfm h PRO 101 Ca 0.11 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2wfm h PRO 101 Cb 0.93 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2wfm h PRO 101 CO 0.67 0.75 0.00 -0.85 -0.23 0.00 0.00 178.00 178.34 2wfm n GLU 102 N -4.48 0.12 -0.05 0.86 -0.00 -1.26 -2.84 120.64 112.99 2wfm n GLU 102 Ca 0.15 0.32 0.11 0.00 -0.00 0.00 0.00 57.16 57.74 2wfm n GLU 102 Cb 0.16 -1.72 0.43 0.00 -0.00 0.00 0.00 31.44 30.32 2wfm n GLU 102 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2wfm n LYS 103 N -1.94 1.66 -4.41 3.44 4.76 -0.75 -4.88 118.16 116.04 2wfm n LYS 103 Ca 0.03 -0.98 -0.32 0.00 -2.87 0.00 0.00 58.31 54.17 2wfm n LYS 103 Cb 0.23 -1.41 -0.16 0.00 -1.84 0.00 0.00 35.03 31.85 2wfm n LYS 103 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2wfm s ILE 104 N -1.86 1.95 -0.11 -0.18 1.01 -1.13 -0.86 121.20 120.02 2wfm s ILE 104 Ca 0.34 -0.90 -0.28 0.00 0.00 0.00 0.00 60.65 59.81 2wfm s ILE 104 Cb 0.18 -1.75 -0.25 0.00 0.01 0.00 0.00 42.46 40.64 2wfm s ILE 104 CO 0.28 0.53 0.87 0.77 0.00 0.00 0.00 174.94 177.38 2wfm h SER 105 N 7.60 0.06 -4.34 3.58 4.64 -1.12 -3.46 113.55 120.52 2wfm h SER 105 Ca -0.37 -0.91 -0.14 0.00 -0.47 0.00 0.00 61.79 59.90 2wfm h SER 105 Cb 1.17 -0.02 -0.23 0.00 -0.31 0.00 0.00 62.40 63.01 2wfm h SER 105 CO 0.57 0.96 -0.33 0.54 -0.87 0.00 0.00 176.83 177.71 2wfm s VAL 106 N -2.58 0.03 -0.27 0.95 0.11 -1.25 -4.30 120.40 113.08 2wfm s VAL 106 Ca -0.18 -0.22 -0.07 0.00 -2.93 0.00 0.00 61.98 58.58 2wfm s VAL 106 Cb -0.02 -0.51 -0.02 0.00 -1.53 0.00 0.00 36.38 34.31 2wfm s VAL 106 CO 0.70 -0.12 0.08 0.00 -3.33 0.00 0.00 175.10 172.43 2wfm s ALA 107 N -0.48 3.14 -0.25 1.54 0.00 -0.14 -1.65 121.76 123.92 2wfm s ALA 107 Ca -0.06 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 50.55 2wfm s ALA 107 Cb -0.04 -2.12 -0.05 0.00 0.00 0.00 0.00 23.12 20.91 2wfm s ALA 107 CO 0.02 -0.65 0.17 0.08 0.00 0.00 0.00 175.76 175.39 2wfm s VAL 108 N 1.58 5.34 -0.33 0.00 1.01 0.25 -0.65 120.40 127.61 2wfm s VAL 108 Ca 0.05 0.18 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 2wfm s VAL 108 Cb -0.16 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2wfm s VAL 108 CO 0.03 0.31 0.18 -0.36 0.00 0.00 0.00 175.10 175.26 2wfm s PHE 109 N 1.29 3.20 -0.29 5.22 0.08 0.18 -0.96 117.98 126.70 2wfm s PHE 109 Ca 0.08 -0.64 -0.10 0.00 0.12 0.00 0.00 56.93 56.38 2wfm s PHE 109 Cb -0.14 -2.39 -0.03 0.00 -0.57 0.00 0.00 43.02 39.88 2wfm s PHE 109 CO 0.07 -0.50 0.17 1.41 -0.10 0.00 0.00 175.22 176.26 2wfm s MET 110 N 1.61 3.69 -1.23 0.44 -2.45 -0.12 -1.14 119.30 120.10 2wfm s MET 110 Ca 0.04 -0.49 -0.10 0.00 -1.25 0.00 0.00 55.69 53.89 2wfm s MET 110 Cb -0.18 -3.60 0.01 0.00 1.25 0.00 0.00 34.83 32.32 2wfm s MET 110 CO 0.07 -0.27 0.19 0.45 1.05 0.00 0.00 175.02 176.50 2wfm n SER 111 N 5.02 -0.59 -4.36 1.11 2.88 -0.49 -2.78 113.62 114.41 2wfm n SER 111 Ca -0.14 -1.10 -0.19 0.00 -1.33 0.00 0.00 58.87 56.11 2wfm n SER 111 Cb 0.51 -1.35 -0.10 0.00 -0.75 0.00 0.00 64.21 62.52 2wfm n SER 111 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wfm s ALA 112 N -4.04 2.00 -0.18 -1.46 0.00 -1.26 -1.76 121.76 115.06 2wfm s ALA 112 Ca 0.14 -1.79 -0.29 0.00 0.00 0.00 0.00 51.96 50.02 2wfm s ALA 112 Cb -0.08 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 2wfm s ALA 112 CO 0.84 -0.15 1.62 -1.64 0.00 0.00 0.00 175.76 176.44 2wfm s MET 113 N -3.79 3.89 -0.39 0.00 -1.94 -1.12 -4.87 119.30 111.07 2wfm s MET 113 Ca 0.27 1.80 -0.11 0.00 -1.71 0.00 0.00 55.69 55.95 2wfm s MET 113 Cb 0.04 -4.02 0.04 0.00 2.01 0.00 0.00 34.83 32.91 2wfm s MET 113 CO 0.09 -1.18 0.23 1.41 -0.01 0.00 0.00 175.02 175.57 2wfm s MET 114 N 4.50 2.78 0.81 2.03 1.75 -1.26 -4.00 119.30 125.91 2wfm s MET 114 Ca 0.72 -1.20 -0.11 0.00 -1.25 0.00 0.00 55.69 53.85 2wfm s MET 114 Cb -0.27 -3.78 0.09 0.00 2.84 0.00 0.00 34.83 33.71 2wfm s MET 114 CO 0.29 -0.79 1.13 -2.14 -0.65 0.00 0.00 175.02 172.86 2wfm s PRO 115 N 1.53 1.79 -0.14 4.11 0.02 -1.26 -5.00 135.00 136.04 2wfm s PRO 115 Ca 0.02 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.46 2wfm s PRO 115 Cb -0.20 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.51 2wfm s PRO 115 CO 0.06 -2.03 -0.13 0.34 -0.33 0.00 0.00 177.00 174.90 2wfm s ASP 116 N -2.86 2.59 0.00 2.53 -1.08 -1.26 -5.03 116.67 111.56 2wfm s ASP 116 Ca 0.66 -0.45 0.05 0.00 -0.52 0.00 0.00 52.55 52.28 2wfm s ASP 116 Cb -0.21 -1.12 0.24 0.00 -1.46 0.00 0.00 42.92 40.37 2wfm s ASP 116 CO 0.54 -0.06 1.07 -0.81 0.52 0.00 0.00 175.17 176.43 2wfm n PRO 117 N 4.78 0.04 0.00 4.34 -0.04 -1.26 -1.94 135.00 140.93 2wfm n PRO 117 Ca -0.16 0.31 0.13 0.00 -0.04 0.00 0.00 63.50 63.74 2wfm n PRO 117 Cb 0.50 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.84 2wfm n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wfm n ASN 118 N -1.38 0.76 -4.37 3.54 3.02 -1.26 -4.61 115.26 110.96 2wfm n ASN 118 Ca 0.02 -0.61 -0.19 0.00 -0.03 0.00 0.00 54.58 53.78 2wfm n ASN 118 Cb 0.05 0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 39.24 2wfm n ASN 118 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2wfm s HIS 119 N -2.67 1.70 1.00 3.10 3.76 -0.82 -5.14 115.29 116.23 2wfm s HIS 119 Ca 0.20 -0.89 -0.13 0.00 -0.15 0.00 0.00 55.06 54.09 2wfm s HIS 119 Cb 0.19 -1.01 0.19 0.00 1.11 0.00 0.00 32.58 33.06 2wfm s HIS 119 CO 0.57 0.02 1.12 -1.54 -0.85 0.00 0.00 174.74 174.06 2wfm s SER 120 N -3.36 2.68 0.16 1.40 1.04 -1.26 -4.70 113.70 109.66 2wfm s SER 120 Ca 0.30 0.99 0.26 0.00 0.48 0.00 0.00 55.95 57.98 2wfm s SER 120 Cb 0.06 -1.54 0.92 0.00 0.10 0.00 0.00 66.02 65.56 2wfm s SER 120 CO 0.11 -3.07 1.79 0.18 0.98 0.00 0.00 173.24 173.23 2wfm n LEU 121 N -4.11 0.58 0.15 2.42 4.77 -1.26 -3.07 117.00 116.48 2wfm n LEU 121 Ca 0.07 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.73 2wfm n LEU 121 Cb 0.58 -0.40 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 2wfm n LEU 121 CO 0.55 -0.18 0.37 0.71 -1.33 0.00 0.00 177.39 177.51 2wfm h THR 122 N 0.00 0.01 -0.82 -5.08 1.35 -1.92 -3.40 112.91 103.05 2wfm h THR 122 Ca 0.00 -1.01 0.20 0.00 -0.55 0.00 0.00 66.41 65.05 2wfm h THR 122 Cb 0.62 1.73 -0.13 0.00 -1.73 0.00 0.00 68.15 68.64 2wfm h THR 122 CO 0.00 0.00 0.20 0.22 -0.25 0.00 0.00 175.52 175.69 2wfm h TYR 123 N 0.00 0.30 0.00 4.73 3.20 -1.91 0.43 116.97 123.71 2wfm h TYR 123 Ca -0.00 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 2wfm h TYR 123 Cb 1.01 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 2wfm h TYR 123 CO 0.00 -0.16 -0.19 -1.00 -1.64 0.00 0.00 178.16 175.18 2wfm h PRO 124 N 0.23 0.00 0.04 1.82 0.13 -1.82 0.14 132.00 132.55 2wfm h PRO 124 Ca 0.49 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.43 2wfm h PRO 124 Cb 0.92 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.07 2wfm h PRO 124 CO -0.60 0.19 -0.76 0.74 -0.23 0.00 0.00 178.00 177.34 2wfm h PHE 125 N 0.00 0.70 -0.84 1.56 0.04 -1.29 -1.86 116.94 115.25 2wfm h PHE 125 Ca -0.00 -0.41 0.00 0.00 2.80 0.00 0.00 57.97 60.37 2wfm h PHE 125 Cb 0.56 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.60 2wfm h PHE 125 CO 0.00 1.24 0.54 0.93 -0.60 0.00 0.00 178.31 180.43 2wfm h GLU 126 N -0.04 1.11 -0.27 1.51 5.08 -0.73 -1.75 114.58 119.50 2wfm h GLU 126 Ca -0.11 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 2wfm h GLU 126 Cb 1.48 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2wfm h GLU 126 CO 0.15 0.75 -0.11 0.87 -1.00 0.00 0.00 179.01 179.67 2wfm h LYS 127 N 1.14 0.44 0.60 2.33 1.79 -0.75 -2.88 116.57 119.24 2wfm h LYS 127 Ca 0.31 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.63 2wfm h LYS 127 Cb -0.11 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 30.50 2wfm h LYS 127 CO -0.06 0.55 -0.29 -0.92 -1.08 0.00 0.00 179.45 177.65 2wfm h TYR 128 N 0.41 -0.74 -1.01 -1.35 3.20 -0.72 -2.73 116.97 114.03 2wfm h TYR 128 Ca 0.08 -0.02 0.23 0.00 3.14 0.00 0.00 58.73 62.16 2wfm h TYR 128 Cb 0.45 0.25 -0.10 0.00 1.54 0.00 0.00 36.73 38.86 2wfm h TYR 128 CO 0.01 -0.46 0.62 -0.91 -1.64 0.00 0.00 178.16 175.79 2wfm h ASN 129 N -0.82 0.62 -0.04 -2.11 2.35 -1.35 -0.76 115.58 113.47 2wfm h ASN 129 Ca -0.08 0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 2wfm h ASN 129 Cb 0.62 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 2wfm h ASN 129 CO 0.13 0.16 -0.14 -0.08 -1.65 0.00 0.00 177.43 175.86 2wfm h GLU 130 N 0.57 0.35 -0.01 0.81 4.81 -1.26 -3.09 114.58 116.77 2wfm h GLU 130 Ca 0.59 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 2wfm h GLU 130 Cb 1.20 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2wfm h GLU 130 CO -0.36 0.49 -0.55 1.17 -0.73 0.00 0.00 179.01 179.04 2wfm n LYS 131 N -4.23 1.70 -4.86 1.92 4.81 -0.83 -4.94 118.16 111.73 2wfm n LYS 131 Ca -0.00 -0.42 -0.33 0.00 -0.87 0.00 0.00 58.31 56.69 2wfm n LYS 131 Cb 0.30 -1.27 -0.13 0.00 0.02 0.00 0.00 35.03 33.95 2wfm n LYS 131 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wfm n PRO 133 N 2.43 -0.54 0.00 0.00 -0.02 -1.26 -4.68 135.00 130.92 2wfm n PRO 133 Ca -0.17 -0.09 0.14 0.00 -2.02 0.00 0.00 63.50 61.35 2wfm n PRO 133 Cb 0.52 -2.32 0.65 0.00 -0.02 0.00 0.00 33.50 32.33 2wfm n PRO 133 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wfm n ALA 134 N -4.24 2.47 -1.04 3.55 0.00 -1.26 -3.26 120.51 116.73 2wfm n ALA 134 Ca 0.11 -0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.48 2wfm n ALA 134 Cb 0.52 -1.45 0.26 0.00 0.00 0.00 0.00 19.45 18.79 2wfm n ALA 134 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wfm n ASP 135 N -1.39 3.88 0.00 0.00 5.75 -1.26 -4.69 116.55 118.83 2wfm n ASP 135 Ca 0.10 -3.11 0.07 0.00 -0.01 0.00 0.00 54.79 51.84 2wfm n ASP 135 Cb 0.30 -0.57 0.32 0.00 -1.03 0.00 0.00 41.12 40.14 2wfm n ASP 135 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 2wfm n MET 136 N -0.51 0.00 -0.70 0.11 0.00 -1.20 -2.41 117.12 112.42 2wfm n MET 136 Ca 0.24 0.24 0.08 0.00 0.00 0.00 0.00 57.70 58.26 2wfm n MET 136 Cb 0.95 -1.50 0.35 0.00 0.00 0.00 0.00 33.22 33.03 2wfm n MET 136 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 2wfm n MET 137 N -1.50 4.09 0.00 3.17 2.81 -1.26 -5.01 117.12 119.42 2wfm n MET 137 Ca 0.04 -2.98 0.00 0.00 -1.81 0.00 0.00 57.70 52.95 2wfm n MET 137 Cb 0.17 -2.03 0.00 0.00 -0.71 0.00 0.00 33.22 30.65 2wfm n MET 137 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2wfm n LEU 138 N 0.52 0.00 -0.70 4.03 4.77 -1.01 -1.49 117.00 123.13 2wfm n LEU 138 Ca 0.25 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.27 2wfm n LEU 138 Cb 1.02 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 42.24 2wfm n LEU 138 CO 0.26 0.00 0.55 -0.90 -1.33 0.00 0.00 177.39 175.97 2wfm n ASP 139 N 4.12 1.95 -4.77 -1.43 5.75 -1.26 -4.90 116.55 116.00 2wfm n ASP 139 Ca 0.00 -2.13 -0.35 0.00 -0.01 0.00 0.00 54.79 52.30 2wfm n ASP 139 Cb 0.00 -0.33 0.01 0.00 -1.03 0.00 0.00 41.12 39.77 2wfm n ASP 139 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2wfm s SER 140 N -0.71 5.55 0.07 -1.12 0.01 -0.55 -4.28 113.70 112.66 2wfm s SER 140 Ca 0.19 2.20 0.04 0.00 1.31 0.00 0.00 55.95 59.69 2wfm s SER 140 Cb 0.12 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 2wfm s SER 140 CO 0.10 -1.34 -0.13 -1.10 0.41 0.00 0.00 173.24 171.18 2wfm s GLN 141 N -3.38 0.76 0.00 12.44 -0.21 -1.00 -4.88 119.66 123.40 2wfm s GLN 141 Ca 0.73 -0.93 0.07 0.00 0.02 0.00 0.00 55.36 55.25 2wfm s GLN 141 Cb -0.25 -0.70 -0.02 0.00 1.00 0.00 0.00 33.01 33.05 2wfm s GLN 141 CO 0.30 0.15 -0.21 -0.06 -2.12 0.00 0.00 175.29 173.34 2wfm s PHE 142 N -1.39 1.87 -0.05 0.91 0.08 -1.26 -1.56 117.98 116.59 2wfm s PHE 142 Ca -0.03 -0.36 -0.08 0.00 0.12 0.00 0.00 56.93 56.58 2wfm s PHE 142 Cb -0.09 -1.18 0.02 0.00 -0.57 0.00 0.00 43.02 41.19 2wfm s PHE 142 CO 0.02 0.01 0.19 -1.54 -0.10 0.00 0.00 175.22 173.80 2wfm s SER 143 N -0.72 -0.15 0.60 1.36 1.04 -1.03 -4.99 113.70 109.81 2wfm s SER 143 Ca 0.08 0.23 -0.16 0.00 0.48 0.00 0.00 55.95 56.58 2wfm s SER 143 Cb -0.08 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 2wfm s SER 143 CO 0.00 -0.17 1.09 0.42 0.98 0.00 0.00 173.24 175.56 2wfm s THR 144 N -0.36 3.46 0.17 2.02 -4.23 -1.26 -1.64 115.64 113.80 2wfm s THR 144 Ca -0.05 0.74 -0.09 0.00 -1.18 0.00 0.00 61.69 61.10 2wfm s THR 144 Cb -0.03 -3.25 -0.01 0.00 1.34 0.00 0.00 72.50 70.55 2wfm s THR 144 CO 0.01 -0.36 0.31 -0.72 -0.54 0.00 0.00 174.62 173.31 2wfm s TYR 145 N -2.26 0.39 0.00 3.99 -0.85 -0.72 -4.88 117.35 113.02 2wfm s TYR 145 Ca 0.67 -0.74 0.00 0.00 -0.52 0.00 0.00 57.07 56.47 2wfm s TYR 145 Cb -0.19 -0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.12 2wfm s TYR 145 CO 0.36 -0.75 0.00 0.41 -1.52 0.00 0.00 175.55 174.05 2wfm n GLY 146 N -0.24 -0.29 3.61 5.49 0.00 -1.26 0.96 105.19 113.46 2wfm n GLY 146 Ca -0.07 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 2wfm n GLY 146 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wfm s ASN 147 N -4.00 5.56 0.31 1.61 2.47 -1.26 -4.85 114.94 114.79 2wfm s ASN 147 Ca 0.00 1.95 0.08 0.00 0.42 0.00 0.00 52.86 55.31 2wfm s ASN 147 Cb 0.00 -2.51 0.85 0.00 -1.45 0.00 0.00 41.25 38.13 2wfm s ASN 147 CO 0.00 -1.87 1.70 -0.65 -3.72 0.00 0.00 177.10 172.57 2wfm h PRO 148 N 14.56 0.44 0.24 0.43 0.11 -1.98 0.70 132.00 146.51 2wfm h PRO 148 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2wfm h PRO 148 Cb 1.24 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2wfm h PRO 148 CO 0.96 0.29 -0.27 0.93 -0.21 0.00 0.00 178.00 179.70 2wfm h GLU 149 N 0.45 -0.53 -3.11 1.05 4.39 -1.99 -3.35 114.58 111.49 2wfm h GLU 149 Ca 0.62 0.04 -0.62 0.00 0.34 0.00 0.00 59.36 59.73 2wfm h GLU 149 Cb 1.22 0.12 -0.41 0.00 -0.10 0.00 0.00 28.75 29.58 2wfm h GLU 149 CO -0.53 -0.35 -0.65 1.21 -1.16 0.00 0.00 179.01 177.53 2wfm s ASN 150 N -4.74 4.21 0.57 1.42 3.04 -0.42 -5.12 114.94 113.90 2wfm s ASN 150 Ca -0.16 -3.33 -0.17 0.00 0.04 0.00 0.00 52.86 49.25 2wfm s ASN 150 Cb 0.07 -1.45 -0.05 0.00 -1.54 0.00 0.00 41.25 38.28 2wfm s ASN 150 CO 0.64 -0.17 1.05 -2.16 -3.04 0.00 0.00 177.10 173.42 2wfm s PRO 151 N -0.68 3.47 0.66 0.43 0.04 0.11 -4.07 135.00 134.96 2wfm s PRO 151 Ca 0.22 1.21 -0.03 0.00 0.04 0.00 0.00 61.00 62.44 2wfm s PRO 151 Cb -0.14 -2.05 0.07 0.00 0.04 0.00 0.00 34.50 32.41 2wfm s PRO 151 CO -0.09 -0.69 0.93 0.20 0.04 0.00 0.00 177.00 177.39 2wfm s GLY 152 N -2.66 1.76 -0.18 0.56 0.00 0.27 -4.89 107.32 102.18 2wfm s GLY 152 Ca 0.64 -1.23 -0.00 0.00 0.00 0.00 0.00 44.72 44.13 2wfm s GLY 152 CO 0.33 -0.83 -0.04 -0.29 0.00 0.00 0.00 173.10 172.27 2wfm s MET 153 N -5.07 1.40 0.33 2.90 1.75 -1.26 -1.75 119.30 117.59 2wfm s MET 153 Ca 0.61 -0.60 -0.05 0.00 -1.25 0.00 0.00 55.69 54.40 2wfm s MET 153 Cb -0.09 -2.13 -0.05 0.00 2.84 0.00 0.00 34.83 35.40 2wfm s MET 153 CO 0.42 -0.48 0.59 -1.54 -0.65 0.00 0.00 175.02 173.36 2wfm s SER 154 N 1.61 6.41 0.01 1.11 1.04 -0.65 -4.35 113.70 118.88 2wfm s SER 154 Ca -0.01 0.73 0.02 0.00 0.48 0.00 0.00 55.95 57.17 2wfm s SER 154 Cb -0.16 -2.15 -0.01 0.00 0.10 0.00 0.00 66.02 63.80 2wfm s SER 154 CO -0.07 -0.27 -0.08 0.00 0.98 0.00 0.00 173.24 173.80 2wfm s MET 155 N -3.81 0.60 -0.07 4.02 0.23 0.97 -2.48 119.30 118.75 2wfm s MET 155 Ca 0.44 -0.43 0.05 0.00 -1.03 0.00 0.00 55.69 54.73 2wfm s MET 155 Cb -0.10 -0.53 -0.01 0.00 -1.53 0.00 0.00 34.83 32.66 2wfm s MET 155 CO 0.32 0.14 -0.24 0.96 -2.03 0.00 0.00 175.02 174.17 2wfm s ILE 156 N -0.53 2.08 0.14 3.16 -4.36 -0.60 -0.70 121.20 120.39 2wfm s ILE 156 Ca -0.00 -1.04 -0.31 0.00 -0.26 0.00 0.00 60.65 59.04 2wfm s ILE 156 Cb -0.05 -1.76 -0.08 0.00 1.25 0.00 0.00 42.46 41.82 2wfm s ILE 156 CO 0.00 0.57 1.30 -0.76 0.24 0.00 0.00 174.94 176.29 2wfm s LEU 157 N 0.03 4.40 0.49 0.37 1.43 -1.26 -2.37 118.68 121.77 2wfm s LEU 157 Ca -0.09 2.28 -0.18 0.00 -1.03 0.00 0.00 54.13 55.11 2wfm s LEU 157 Cb -0.15 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.38 2wfm s LEU 157 CO 0.06 -0.53 0.97 -0.83 0.23 0.00 0.00 176.35 176.25 2wfm s GLY 158 N 0.69 2.17 0.37 -3.19 0.00 -1.26 -4.84 107.32 101.25 2wfm s GLY 158 Ca 0.59 0.25 0.07 0.00 0.00 0.00 0.00 44.72 45.62 2wfm s GLY 158 CO 0.34 0.52 1.92 -0.56 0.00 0.00 0.00 173.10 175.32 2wfm h PRO 159 N 1.23 0.43 -0.15 2.90 0.13 -1.95 -0.84 132.00 133.74 2wfm h PRO 159 Ca -0.47 -0.08 -0.09 0.00 -0.87 0.00 0.00 66.00 64.48 2wfm h PRO 159 Cb 1.18 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2wfm h PRO 159 CO 0.61 0.46 -0.26 1.96 -0.23 0.00 0.00 178.00 180.54 2wfm h GLN 160 N 0.42 0.45 -0.40 0.86 1.08 -1.94 -0.70 115.11 114.88 2wfm h GLN 160 Ca 0.09 -0.28 0.07 0.00 -1.45 0.00 0.00 58.65 57.08 2wfm h GLN 160 Cb 0.28 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.68 2wfm h GLN 160 CO 0.01 0.88 0.02 0.35 -0.95 0.00 0.00 178.83 179.13 2wfm h PHE 161 N 0.07 0.02 -0.22 2.96 3.57 -1.79 0.17 116.94 121.72 2wfm h PHE 161 Ca 0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.55 2wfm h PHE 161 Cb 0.85 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2wfm h PHE 161 CO 0.10 -0.06 0.12 0.52 -2.23 0.00 0.00 178.31 176.77 2wfm h MET 162 N 0.13 0.25 -0.42 1.11 2.86 -1.12 0.14 114.93 117.89 2wfm h MET 162 Ca 0.20 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 2wfm h MET 162 Cb 0.27 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2wfm h MET 162 CO -0.31 0.17 0.20 0.00 1.06 0.00 0.00 176.91 178.03 2wfm h ALA 163 N 1.10 0.54 0.00 6.32 0.00 -0.69 0.99 119.26 127.52 2wfm h ALA 163 Ca 0.08 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2wfm h ALA 163 Cb -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2wfm h ALA 163 CO -0.04 0.10 -1.70 1.28 0.00 0.00 0.00 179.25 178.89 2wfm n LEU 164 N -4.68 0.51 0.00 0.00 4.77 0.01 -3.03 117.00 114.59 2wfm n LEU 164 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2wfm n LEU 164 Cb 0.11 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2wfm n LEU 164 CO 0.36 0.16 0.05 0.29 -1.33 0.00 0.00 177.39 176.93 2wfm n LYS 165 N -2.72 5.27 0.00 3.23 5.02 0.50 -4.65 118.16 124.81 2wfm n LYS 165 Ca -0.13 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 2wfm n LYS 165 Cb 0.83 -0.58 0.00 0.00 -0.02 0.00 0.00 35.03 35.26 2wfm n LYS 165 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2wfm n MET 166 N -0.78 0.00 -0.53 1.97 2.81 -0.95 -2.66 117.12 116.98 2wfm n MET 166 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.94 2wfm n MET 166 Cb 0.00 -0.63 0.24 0.00 -0.71 0.00 0.00 33.22 32.13 2wfm n MET 166 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2wfm n PHE 167 N -2.55 1.00 0.29 2.03 3.72 0.30 -3.09 117.46 119.17 2wfm n PHE 167 Ca 0.00 -1.07 0.18 0.00 -0.05 0.00 0.00 57.45 56.51 2wfm n PHE 167 Cb 0.37 -0.37 0.87 0.00 -0.94 0.00 0.00 39.48 39.41 2wfm n PHE 167 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 2wfm h GLN 168 N 1.55 0.00 -0.60 -1.08 -0.00 -1.73 -0.91 115.11 112.34 2wfm h GLN 168 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 2wfm h GLN 168 Cb 1.52 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.00 2wfm h GLN 168 CO 0.28 0.04 0.00 0.09 -0.00 0.00 0.00 178.83 179.23 2wfm n ASN 169 N -3.22 3.67 -5.00 0.06 3.02 -1.26 -4.99 115.26 107.53 2wfm n ASN 169 Ca -0.01 -2.03 -0.18 0.00 -0.03 0.00 0.00 54.58 52.33 2wfm n ASN 169 Cb 0.22 -0.41 0.01 0.00 -0.61 0.00 0.00 39.78 38.98 2wfm n ASN 169 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wfm s SER 171 N -4.31 4.22 0.50 0.00 1.04 -1.26 -4.92 113.70 108.97 2wfm s SER 171 Ca 0.53 1.99 0.18 0.00 0.48 0.00 0.00 55.95 59.13 2wfm s SER 171 Cb -0.10 -2.54 1.25 0.00 0.10 0.00 0.00 66.02 64.73 2wfm s SER 171 CO 0.33 -2.23 2.10 -0.37 0.98 0.00 0.00 173.24 174.04 2wfm h VAL 172 N -1.02 0.95 -0.25 5.02 -1.51 -1.99 -2.56 116.25 114.90 2wfm h VAL 172 Ca -0.44 -0.29 0.02 0.00 -1.23 0.00 0.00 66.70 64.75 2wfm h VAL 172 Cb 1.25 1.16 -0.02 0.00 -2.13 0.00 0.00 31.29 31.55 2wfm h VAL 172 CO 0.49 0.08 0.12 -0.33 -1.23 0.00 0.00 177.57 176.71 2wfm h GLU 173 N 0.00 0.25 -0.70 5.19 3.07 -1.99 0.43 114.58 120.84 2wfm h GLU 173 Ca -0.00 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.79 2wfm h GLU 173 Cb 0.16 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 2wfm h GLU 173 CO 0.01 0.17 0.23 -0.44 -1.40 0.00 0.00 179.01 177.58 2wfm h ASP 174 N 0.26 0.99 -0.68 1.42 3.32 -1.84 -0.24 116.42 119.65 2wfm h ASP 174 Ca 0.10 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 2wfm h ASP 174 Cb 0.03 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 2wfm h ASP 174 CO -0.07 0.92 0.22 0.25 -1.72 0.00 0.00 179.24 178.84 2wfm h LEU 175 N 1.03 0.98 -0.33 1.55 5.85 -1.30 -2.18 115.31 120.91 2wfm h LEU 175 Ca 0.23 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2wfm h LEU 175 Cb 0.27 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2wfm h LEU 175 CO -0.01 0.92 0.17 -0.08 -0.34 0.00 0.00 178.44 179.10 2wfm h GLU 176 N 0.98 0.46 -0.56 1.25 4.57 -0.55 -0.89 114.58 119.85 2wfm h GLU 176 Ca 0.22 -0.06 0.11 0.00 -1.18 0.00 0.00 59.36 58.45 2wfm h GLU 176 Cb 0.28 -0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 28.69 2wfm h GLU 176 CO -0.01 0.40 0.04 1.25 -1.18 0.00 0.00 179.01 179.51 2wfm h LEU 177 N 0.40 -0.15 -0.70 1.64 5.85 -1.00 -1.69 115.31 119.66 2wfm h LEU 177 Ca 0.11 0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.85 2wfm h LEU 177 Cb 0.07 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2wfm h LEU 177 CO -0.02 -0.06 -0.14 0.00 -0.34 0.00 0.00 178.44 177.88 2wfm h ALA 178 N 1.49 0.89 0.00 1.25 0.00 -1.09 -2.31 119.26 119.49 2wfm h ALA 178 Ca 0.29 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2wfm h ALA 178 Cb 0.45 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wfm h ALA 178 CO -0.44 0.63 -0.15 0.87 0.00 0.00 0.00 179.25 180.16 2wfm h LYS 179 N 0.76 0.00 0.00 0.00 1.57 -0.62 -0.89 116.57 117.38 2wfm h LYS 179 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2wfm h LYS 179 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2wfm h LYS 179 CO 0.05 0.15 -0.45 0.52 -0.57 0.00 0.00 179.45 179.15 2wfm h MET 180 N 0.00 0.00 0.00 3.15 2.86 -0.79 -3.39 114.93 116.76 2wfm h MET 180 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2wfm h MET 180 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2wfm h MET 180 CO 0.02 0.00 -0.93 1.28 1.06 0.00 0.00 176.91 178.34 2wfm n LEU 181 N -2.66 0.01 -4.77 1.22 4.77 -0.99 -5.03 117.00 109.56 2wfm n LEU 181 Ca 0.03 -0.08 -0.40 0.00 -0.03 0.00 0.00 56.01 55.53 2wfm n LEU 181 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 2wfm n LEU 181 CO 0.36 0.00 0.90 0.28 -1.33 0.00 0.00 177.39 177.61 2wfm s THR 182 N -1.98 2.96 0.24 -5.08 -1.32 -0.37 -4.72 115.64 105.37 2wfm s THR 182 Ca -0.00 0.91 0.06 0.00 -1.21 0.00 0.00 61.69 61.44 2wfm s THR 182 Cb 0.01 -3.55 -0.05 0.00 -1.51 0.00 0.00 72.50 67.40 2wfm s THR 182 CO 0.08 0.17 -0.07 -0.13 -2.21 0.00 0.00 174.62 172.46 2wfm s ARG 183 N -1.94 1.41 0.56 7.08 0.52 -1.15 -5.04 118.95 120.41 2wfm s ARG 183 Ca 0.52 -1.69 -0.20 0.00 -0.52 0.00 0.00 55.73 53.83 2wfm s ARG 183 Cb -0.36 -0.98 -0.05 0.00 0.52 0.00 0.00 34.95 34.09 2wfm s ARG 183 CO 0.46 0.04 1.17 -2.30 0.02 0.00 0.00 175.30 174.69 2wfm n PRO 184 N -0.47 1.29 -4.05 3.54 -0.02 -1.26 -4.47 135.00 129.57 2wfm n PRO 184 Ca -0.06 0.48 -0.17 0.00 -2.02 0.00 0.00 63.50 61.73 2wfm n PRO 184 Cb 0.63 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 2wfm n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wfm n GLY 185 N 1.02 2.59 3.29 -1.23 0.00 0.12 -4.75 105.19 106.23 2wfm n GLY 185 Ca 0.12 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 2wfm n GLY 185 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wfm s SER 186 N -3.19 -0.26 0.00 1.61 0.15 -1.26 -0.02 113.70 110.73 2wfm s SER 186 Ca 0.34 0.09 0.23 0.00 0.70 0.00 0.00 55.95 57.31 2wfm s SER 186 Cb 0.01 0.37 0.21 0.00 -1.71 0.00 0.00 66.02 64.90 2wfm s SER 186 CO 0.24 -0.55 1.25 0.18 1.20 0.00 0.00 173.24 175.56 2wfm n LEU 187 N 0.93 2.98 -2.63 3.45 4.77 -1.26 -4.97 117.00 120.27 2wfm n LEU 187 Ca -0.20 -1.07 -0.15 0.00 -0.03 0.00 0.00 56.01 54.56 2wfm n LEU 187 Cb 0.58 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2wfm n LEU 187 CO 0.22 0.52 -0.13 0.49 -1.33 0.00 0.00 177.39 177.16 2wfm n PHE 188 N 1.31 -1.50 -0.14 -1.77 3.72 -1.26 -4.88 117.46 112.94 2wfm n PHE 188 Ca 0.14 0.11 -0.06 0.00 -0.05 0.00 0.00 57.45 57.59 2wfm n PHE 188 Cb 0.58 -2.95 0.00 0.00 -0.94 0.00 0.00 39.48 36.17 2wfm n PHE 188 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2wfm h PHE 189 N -0.25 -0.81 0.00 1.38 3.57 -1.94 -0.20 116.94 118.70 2wfm h PHE 189 Ca -0.34 0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.15 2wfm h PHE 189 Cb 1.24 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 40.40 2wfm h PHE 189 CO 0.68 -0.36 -0.33 -0.56 -2.23 0.00 0.00 178.31 175.51 2wfm h GLN 190 N -0.20 0.00 -0.21 1.11 -0.00 -1.91 0.16 115.11 114.07 2wfm h GLN 190 Ca 0.20 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.78 2wfm h GLN 190 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.00 2wfm h GLN 190 CO -0.57 0.33 -0.15 0.22 -0.00 0.00 0.00 178.83 178.66 2wfm h ASP 191 N 0.00 0.49 -0.38 0.06 3.58 -1.54 -3.21 116.42 115.41 2wfm h ASP 191 Ca -0.00 -0.44 -0.03 0.00 0.42 0.00 0.00 57.03 56.97 2wfm h ASP 191 Cb 0.72 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 2wfm h ASP 191 CO 0.04 0.83 0.14 -0.07 -2.88 0.00 0.00 179.24 177.30 2wfm h LEU 192 N 0.15 0.59 -2.33 2.28 3.38 -0.46 -1.18 115.31 117.74 2wfm h LEU 192 Ca 0.04 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2wfm h LEU 192 Cb 0.67 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2wfm h LEU 192 CO 0.04 0.57 0.07 0.00 0.09 0.00 0.00 178.44 179.20 2wfm h ALA 193 N 1.52 1.70 -0.01 1.53 0.00 -0.73 -2.22 119.26 121.04 2wfm h ALA 193 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wfm h ALA 193 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2wfm h ALA 193 CO -0.01 -0.10 -0.60 1.63 0.00 0.00 0.00 179.25 180.17 2wfm n LYS 194 N -3.94 1.08 -2.14 0.00 5.02 -0.50 -5.00 118.16 112.68 2wfm n LYS 194 Ca -0.01 -0.65 -0.33 0.00 -2.02 0.00 0.00 58.31 55.30 2wfm n LYS 194 Cb 0.16 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2wfm n LYS 194 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wfm s ALA 195 N -2.49 2.77 0.36 7.82 0.00 -0.84 -5.01 121.76 124.38 2wfm s ALA 195 Ca 0.14 0.43 -0.28 0.00 0.00 0.00 0.00 51.96 52.25 2wfm s ALA 195 Cb 0.16 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.95 2wfm s ALA 195 CO 0.62 -0.71 1.30 0.15 0.00 0.00 0.00 175.76 177.12 2wfm s LYS 196 N -3.92 4.20 0.72 0.00 1.02 -1.26 -4.82 119.74 115.67 2wfm s LYS 196 Ca 0.64 2.18 -0.11 0.00 0.02 0.00 0.00 55.97 58.70 2wfm s LYS 196 Cb -0.16 -2.94 0.02 0.00 -0.52 0.00 0.00 37.83 34.24 2wfm s LYS 196 CO 0.34 -0.31 1.09 -1.59 -0.92 0.00 0.00 175.35 173.96 2wfm s LYS 197 N -1.99 2.75 0.81 1.68 -2.85 -1.26 -4.90 119.74 113.97 2wfm s LYS 197 Ca 0.52 0.52 -0.11 0.00 -1.00 0.00 0.00 55.97 55.90 2wfm s LYS 197 Cb -0.39 -2.00 0.07 0.00 -2.06 0.00 0.00 37.83 33.45 2wfm s LYS 197 CO 0.51 -1.13 1.09 -0.06 0.10 0.00 0.00 175.35 175.86 2wfm s PHE 198 N -3.31 2.59 0.17 1.78 0.08 -1.26 -5.06 117.98 112.97 2wfm s PHE 198 Ca 0.59 1.40 0.10 0.00 0.12 0.00 0.00 56.93 59.13 2wfm s PHE 198 Cb -0.12 -3.07 -0.04 0.00 -0.57 0.00 0.00 43.02 39.22 2wfm s PHE 198 CO 0.52 -1.91 -0.22 -1.54 -0.10 0.00 0.00 175.22 171.97 2wfm s SER 199 N -3.51 3.06 0.32 1.36 1.04 -1.26 -4.53 113.70 110.18 2wfm s SER 199 Ca 0.61 -0.84 0.06 0.00 0.48 0.00 0.00 55.95 56.27 2wfm s SER 199 Cb -0.17 -0.21 0.54 0.00 0.10 0.00 0.00 66.02 66.29 2wfm s SER 199 CO 0.56 0.06 1.77 0.71 0.98 0.00 0.00 173.24 177.33 2wfm h THR 200 N 3.36 1.26 -0.29 2.02 1.35 -1.94 -1.34 112.91 117.32 2wfm h THR 200 Ca -0.45 -1.22 -0.01 0.00 -0.55 0.00 0.00 66.41 64.17 2wfm h THR 200 Cb 1.20 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 69.05 2wfm h THR 200 CO 0.47 0.38 0.14 -0.33 -0.25 0.00 0.00 175.52 175.93 2wfm h GLU 201 N 0.27 0.42 0.00 4.72 3.07 -1.95 -2.66 114.58 118.45 2wfm h GLU 201 Ca 0.04 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2wfm h GLU 201 Cb 0.64 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 2wfm h GLU 201 CO 0.05 0.40 0.00 0.54 -1.40 0.00 0.00 179.01 178.60 2wfm n ARG 202 N -4.78 0.00 -0.20 2.33 1.74 -1.20 -3.98 116.66 110.58 2wfm n ARG 202 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2wfm n ARG 202 Cb 0.11 -0.13 0.08 0.00 -1.02 0.00 0.00 32.46 31.50 2wfm n ARG 202 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2wfm h TYR 203 N 0.00 -0.11 0.00 -1.55 3.20 -1.48 -0.62 116.97 116.41 2wfm h TYR 203 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2wfm h TYR 203 Cb 0.00 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2wfm h TYR 203 CO 0.00 -0.18 0.00 0.41 -1.64 0.00 0.00 178.16 176.75 2wfm n GLY 204 N -1.37 -0.88 0.00 1.82 0.00 -0.56 -2.31 105.19 101.89 2wfm n GLY 204 Ca 0.08 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.11 2wfm n GLY 204 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wfm n SER 205 N -1.17 0.41 -4.78 1.61 3.41 -0.24 -4.90 113.62 107.96 2wfm n SER 205 Ca 0.13 -0.10 -0.38 0.00 -0.26 0.00 0.00 58.87 58.25 2wfm n SER 205 Cb 0.13 0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 2wfm n SER 205 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wfm s VAL 206 N -3.00 4.92 0.30 -3.33 1.01 -0.98 -5.03 120.40 114.30 2wfm s VAL 206 Ca 0.11 1.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.92 2wfm s VAL 206 Cb 0.18 -3.87 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 2wfm s VAL 206 CO 0.67 0.47 1.40 -0.75 0.00 0.00 0.00 175.10 176.89 2wfm s LYS 207 N -0.50 4.27 0.01 2.72 2.20 -1.26 -4.90 119.74 122.27 2wfm s LYS 207 Ca 0.28 2.32 0.07 0.00 -0.36 0.00 0.00 55.97 58.28 2wfm s LYS 207 Cb -0.18 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 2wfm s LYS 207 CO 0.16 -0.35 -0.20 1.03 -0.36 0.00 0.00 175.35 175.63 2wfm s ARG 208 N -1.21 2.12 0.09 4.03 0.52 -1.26 -0.97 118.95 122.27 2wfm s ARG 208 Ca 0.54 -0.93 0.04 0.00 -0.52 0.00 0.00 55.73 54.86 2wfm s ARG 208 Cb -0.42 -2.16 -0.03 0.00 0.52 0.00 0.00 34.95 32.86 2wfm s ARG 208 CO 0.50 0.56 -0.12 0.00 0.02 0.00 0.00 175.30 176.26 2wfm s ALA 209 N -0.80 1.15 -0.04 2.13 0.00 0.18 0.21 121.76 124.58 2wfm s ALA 209 Ca 0.13 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 51.01 2wfm s ALA 209 Cb -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2wfm s ALA 209 CO 0.02 0.06 -0.13 -0.47 0.00 0.00 0.00 175.76 175.24 2wfm s TYR 210 N -1.91 1.41 -0.18 0.00 5.04 -0.04 -0.65 117.35 121.03 2wfm s TYR 210 Ca 0.02 -0.43 -0.02 0.00 -2.44 0.00 0.00 57.07 54.21 2wfm s TYR 210 Cb -0.06 -0.99 -0.01 0.00 0.35 0.00 0.00 41.96 41.25 2wfm s TYR 210 CO 0.01 -0.18 -0.10 0.42 -1.34 0.00 0.00 175.55 174.37 2wfm s ILE 211 N 0.28 3.11 0.23 3.14 1.01 -0.29 0.25 121.20 128.93 2wfm s ILE 211 Ca -0.07 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 59.69 2wfm s ILE 211 Cb -0.12 -2.36 -0.09 0.00 0.01 0.00 0.00 42.46 39.90 2wfm s ILE 211 CO 0.02 0.48 0.90 -0.36 0.00 0.00 0.00 174.94 175.98 2wfm s PHE 212 N 0.94 3.95 -0.50 3.97 0.08 0.42 -1.40 117.98 125.45 2wfm s PHE 212 Ca -0.02 1.84 -0.03 0.00 0.12 0.00 0.00 56.93 58.85 2wfm s PHE 212 Cb -0.15 -2.92 0.13 0.00 -0.57 0.00 0.00 43.02 39.51 2wfm s PHE 212 CO -0.00 0.46 0.30 0.00 -0.10 0.00 0.00 175.22 175.88 2wfm h ASN 214 N 7.63 0.00 -0.48 0.00 4.21 -1.45 -2.23 115.58 123.25 2wfm h ASN 214 Ca -0.09 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.33 2wfm h ASN 214 Cb 1.01 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.15 2wfm h ASN 214 CO 0.71 0.13 0.08 -0.62 -1.29 0.00 0.00 177.43 176.44 2wfm n GLU 215 N -3.85 3.43 -2.09 0.81 1.02 -0.45 -4.53 120.64 114.98 2wfm n GLU 215 Ca -0.02 -3.03 -0.43 0.00 -0.02 0.00 0.00 57.16 53.66 2wfm n GLU 215 Cb 0.23 -2.04 -0.03 0.00 -0.02 0.00 0.00 31.44 29.58 2wfm n GLU 215 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2wfm s ASP 216 N -1.51 6.14 0.00 1.62 -1.08 -0.84 -4.36 116.67 116.64 2wfm s ASP 216 Ca 0.49 1.37 0.24 0.00 -0.52 0.00 0.00 52.55 54.13 2wfm s ASP 216 Cb 0.40 -2.53 0.37 0.00 -1.46 0.00 0.00 42.92 39.70 2wfm s ASP 216 CO 0.11 -1.50 1.32 0.29 0.52 0.00 0.00 175.17 175.91 2wfm n LYS 217 N 8.09 0.42 -0.01 4.34 5.02 -1.25 -3.49 118.16 131.28 2wfm n LYS 217 Ca 0.21 -0.29 -0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2wfm n LYS 217 Cb 0.46 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.86 2wfm n LYS 217 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wfm n SER 218 N -1.04 0.43 -3.43 4.39 3.41 -1.09 -4.70 113.62 111.59 2wfm n SER 218 Ca 0.08 0.19 -0.28 0.00 -0.26 0.00 0.00 58.87 58.60 2wfm n SER 218 Cb 0.36 0.80 -0.11 0.00 -0.26 0.00 0.00 64.21 65.00 2wfm n SER 218 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2wfm s PHE 219 N -2.94 0.97 0.68 7.33 5.36 -1.25 -5.13 117.98 123.00 2wfm s PHE 219 Ca -0.06 -2.04 -0.17 0.00 -0.96 0.00 0.00 56.93 53.70 2wfm s PHE 219 Cb 0.09 -0.95 0.01 0.00 -0.34 0.00 0.00 43.02 41.83 2wfm s PHE 219 CO 0.84 -0.83 1.28 -2.14 -1.46 0.00 0.00 175.22 172.91 2wfm s PRO 220 N 0.48 2.36 0.33 10.12 0.02 -1.23 -4.71 135.00 142.37 2wfm s PRO 220 Ca 0.26 2.02 0.05 0.00 0.02 0.00 0.00 61.00 63.36 2wfm s PRO 220 Cb -0.08 -1.83 0.69 0.00 0.02 0.00 0.00 34.50 33.31 2wfm s PRO 220 CO -0.11 -1.74 1.90 -0.39 -0.33 0.00 0.00 177.00 176.34 2wfm h VAL 221 N 0.26 0.95 -0.09 3.83 -1.51 -1.80 -1.00 116.25 116.89 2wfm h VAL 221 Ca -0.50 -0.29 0.03 0.00 -1.23 0.00 0.00 66.70 64.71 2wfm h VAL 221 Cb 1.33 0.05 -0.00 0.00 -2.13 0.00 0.00 31.29 30.54 2wfm h VAL 221 CO 0.52 0.15 0.14 1.05 -1.23 0.00 0.00 177.57 178.19 2wfm h GLU 222 N 0.83 0.00 0.00 5.19 9.09 -1.96 0.33 114.58 128.06 2wfm h GLU 222 Ca 0.40 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.77 2wfm h GLU 222 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.55 2wfm h GLU 222 CO -0.17 0.00 -0.16 0.35 0.05 0.00 0.00 179.01 179.08 2wfm h PHE 223 N 0.00 0.16 -0.89 2.06 3.04 -1.52 -2.37 116.94 117.41 2wfm h PHE 223 Ca 0.04 -0.09 0.03 0.00 3.98 0.00 0.00 57.97 61.94 2wfm h PHE 223 Cb 0.31 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.76 2wfm h PHE 223 CO 0.00 0.89 0.59 1.96 -2.02 0.00 0.00 178.31 179.73 2wfm h GLN 224 N -0.62 1.09 -0.42 1.11 4.20 -1.11 -1.66 115.11 117.71 2wfm h GLN 224 Ca -0.02 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.50 2wfm h GLN 224 Cb 0.93 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 2wfm h GLN 224 CO 0.03 0.72 -0.24 0.87 -0.67 0.00 0.00 178.83 179.55 2wfm h LYS 225 N 1.12 0.86 -0.63 1.46 1.57 -1.05 -2.69 116.57 117.22 2wfm h LYS 225 Ca 0.35 -0.36 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 2wfm h LYS 225 Cb 0.01 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.22 2wfm h LYS 225 CO -0.10 1.00 0.26 2.35 -0.57 0.00 0.00 179.45 182.39 2wfm h TRP 226 N 0.74 0.46 -0.72 -1.35 7.01 -0.75 0.68 115.95 122.02 2wfm h TRP 226 Ca 0.10 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.18 2wfm h TRP 226 Cb 0.78 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.68 2wfm h TRP 226 CO 0.04 0.13 0.43 0.74 -2.79 0.00 0.00 178.44 177.00 2wfm h PHE 227 N 0.46 0.79 -0.26 2.65 0.04 -1.13 0.37 116.94 119.87 2wfm h PHE 227 Ca 0.32 0.02 -0.19 0.00 2.80 0.00 0.00 57.97 60.92 2wfm h PHE 227 Cb 0.37 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.27 2wfm h PHE 227 CO -0.15 0.41 -0.60 0.28 -0.60 0.00 0.00 178.31 177.65 2wfm h VAL 228 N 0.80 1.28 -0.23 -0.55 2.07 -1.21 -0.43 116.25 117.97 2wfm h VAL 228 Ca 0.31 -1.79 -0.16 0.00 0.82 0.00 0.00 66.70 65.88 2wfm h VAL 228 Cb 0.13 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2wfm h VAL 228 CO -0.16 0.58 -0.50 -0.33 0.02 0.00 0.00 177.57 177.18 2wfm h GLU 229 N 0.64 0.64 0.00 1.57 5.08 -0.29 -0.48 114.58 121.74 2wfm h GLU 229 Ca -0.00 -0.38 -0.18 0.00 -1.00 0.00 0.00 59.36 57.80 2wfm h GLU 229 Cb 1.21 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 2wfm h GLU 229 CO 0.13 0.99 -1.54 -1.13 -1.00 0.00 0.00 179.01 176.46 2wfm n SER 230 N -3.99 0.74 -0.08 1.42 3.41 0.13 -4.57 113.62 110.68 2wfm n SER 230 Ca -0.03 0.33 -0.10 0.00 -0.26 0.00 0.00 58.87 58.80 2wfm n SER 230 Cb 0.58 0.33 -0.07 0.00 -0.26 0.00 0.00 64.21 64.79 2wfm n SER 230 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2wfm n VAL 231 N -2.84 0.89 0.00 -3.33 0.31 -0.18 -5.08 118.33 108.10 2wfm n VAL 231 Ca -0.12 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 2wfm n VAL 231 Cb 0.86 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 2wfm n VAL 231 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wfm n GLY 232 N 2.72 -1.17 3.22 2.92 0.00 -0.19 -5.04 105.19 107.65 2wfm n GLY 232 Ca -0.27 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 2wfm n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfm s ALA 233 N -3.08 1.24 -0.15 4.61 0.00 -1.26 -4.94 121.76 118.19 2wfm s ALA 233 Ca 0.00 -1.49 0.17 0.00 0.00 0.00 0.00 51.96 50.64 2wfm s ALA 233 Cb 0.00 0.32 -0.06 0.00 0.00 0.00 0.00 23.12 23.38 2wfm s ALA 233 CO 0.00 -0.25 1.04 -0.44 0.00 0.00 0.00 175.76 176.11 2wfm h ASP 234 N 2.80 0.00 -3.74 0.00 3.32 -0.62 -3.46 116.42 114.72 2wfm h ASP 234 Ca -0.36 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.48 2wfm h ASP 234 Cb 1.19 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.46 2wfm h ASP 234 CO 0.64 0.50 -0.60 -0.54 -1.72 0.00 0.00 179.24 177.51 2wfm s LYS 235 N -2.98 0.11 -0.05 3.56 1.02 -1.18 -5.05 119.74 115.18 2wfm s LYS 235 Ca -0.00 0.16 0.01 0.00 0.02 0.00 0.00 55.97 56.16 2wfm s LYS 235 Cb 0.08 0.04 0.02 0.00 -0.52 0.00 0.00 37.83 37.45 2wfm s LYS 235 CO 0.79 -0.03 -0.07 0.14 -0.92 0.00 0.00 175.35 175.26 2wfm s VAL 236 N 0.15 0.77 0.15 3.17 -7.23 -1.26 -0.86 120.40 115.29 2wfm s VAL 236 Ca -0.01 -0.26 0.06 0.00 -1.81 0.00 0.00 61.98 59.97 2wfm s VAL 236 Cb -0.02 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 36.13 2wfm s VAL 236 CO -0.00 0.28 -0.14 -0.54 -0.31 0.00 0.00 175.10 174.38 2wfm s LYS 237 N 0.85 1.14 -0.03 4.82 1.02 0.14 -4.98 119.74 122.70 2wfm s LYS 237 Ca -0.12 -1.39 0.02 0.00 0.02 0.00 0.00 55.97 54.50 2wfm s LYS 237 Cb -0.15 -0.96 0.01 0.00 -0.52 0.00 0.00 37.83 36.21 2wfm s LYS 237 CO 0.01 0.17 -0.07 -1.83 -0.92 0.00 0.00 175.35 172.71 2wfm s GLU 238 N -3.14 0.95 -0.29 1.68 -1.05 -1.26 0.16 118.70 115.74 2wfm s GLU 238 Ca 0.15 -0.24 -0.07 0.00 -0.15 0.00 0.00 54.97 54.66 2wfm s GLU 238 Cb -0.03 -0.89 0.00 0.00 -0.44 0.00 0.00 34.13 32.78 2wfm s GLU 238 CO 0.04 0.04 0.09 0.42 0.95 0.00 0.00 175.26 176.80 2wfm s ILE 239 N 0.47 4.10 0.30 1.83 1.01 -0.05 -4.90 121.20 123.96 2wfm s ILE 239 Ca -0.07 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.03 2wfm s ILE 239 Cb -0.11 -3.09 0.06 0.00 0.01 0.00 0.00 42.46 39.33 2wfm s ILE 239 CO 0.01 0.10 1.73 0.11 0.00 0.00 0.00 174.94 176.89 2wfm h LYS 240 N 8.26 0.31 -0.25 2.79 1.57 -1.98 -2.22 116.57 125.05 2wfm h LYS 240 Ca -0.32 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2wfm h LYS 240 Cb 1.13 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2wfm h LYS 240 CO 0.60 0.61 0.00 0.39 -0.57 0.00 0.00 179.45 180.48 2wfm n GLU 241 N -4.09 2.78 -2.38 3.15 1.02 -1.26 -4.06 120.64 115.81 2wfm n GLU 241 Ca -0.01 -2.36 -0.42 0.00 -0.02 0.00 0.00 57.16 54.35 2wfm n GLU 241 Cb 0.43 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 2wfm n GLU 241 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wfm s ALA 242 N -1.89 3.45 0.85 0.62 0.00 -1.21 -4.84 121.76 118.74 2wfm s ALA 242 Ca 0.29 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2wfm s ALA 242 Cb 0.21 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2wfm s ALA 242 CO 0.10 -0.54 0.00 -0.40 0.00 0.00 0.00 175.76 174.92 2wfm n ASP 243 N 4.21 0.00 -0.21 0.00 5.68 -1.26 -1.35 116.55 123.62 2wfm n ASP 243 Ca 0.10 -0.59 0.22 0.00 -0.50 0.00 0.00 54.79 54.02 2wfm n ASP 243 Cb 0.46 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.02 2wfm n ASP 243 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wfm h ALA 244 N -1.72 2.42 -1.92 2.12 0.00 -1.77 -3.12 119.26 115.27 2wfm h ALA 244 Ca 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 54.91 54.16 2wfm h ALA 244 Cb 0.00 0.01 -0.32 0.00 0.00 0.00 0.00 17.79 17.48 2wfm h ALA 244 CO 0.00 -0.69 0.44 -1.33 0.00 0.00 0.00 179.25 177.67 2wfm n MET 245 N -4.43 4.11 0.23 0.00 2.81 -1.18 -4.85 117.12 113.81 2wfm n MET 245 Ca 0.19 -4.61 0.06 0.00 -1.81 0.00 0.00 57.70 51.52 2wfm n MET 245 Cb 0.78 -2.44 0.53 0.00 -0.71 0.00 0.00 33.22 31.38 2wfm n MET 245 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2wfm h GLY 246 N 4.90 0.00 2.00 3.03 0.00 -1.89 0.41 103.07 111.51 2wfm h GLY 246 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2wfm h GLY 246 CO 1.19 0.00 0.00 1.15 0.00 0.00 0.00 176.54 178.88 2wfm n MET 247 N -4.28 0.01 -0.02 4.80 0.00 -1.26 0.41 117.12 116.79 2wfm n MET 247 Ca -0.02 0.25 -0.02 0.00 0.00 0.00 0.00 57.70 57.90 2wfm n MET 247 Cb 0.24 -1.52 -0.03 0.00 0.00 0.00 0.00 33.22 31.91 2wfm n MET 247 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2wfm n LEU 248 N -1.55 0.53 0.05 3.17 4.77 -0.40 -4.04 117.00 119.54 2wfm n LEU 248 Ca 0.04 -0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.99 2wfm n LEU 248 Cb 0.18 0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.24 2wfm n LEU 248 CO 0.15 0.17 -0.08 0.77 -1.33 0.00 0.00 177.39 177.07 2wfm h SER 249 N 0.00 0.00 -0.95 -1.43 4.64 -0.90 -3.41 113.55 111.49 2wfm h SER 249 Ca -0.10 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.87 2wfm h SER 249 Cb 1.20 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.96 2wfm h SER 249 CO 0.00 0.70 -1.00 0.00 -0.87 0.00 0.00 176.83 175.67 2wfm n GLN 250 N -3.07 1.11 0.07 4.77 1.13 0.17 -4.94 117.38 116.62 2wfm n GLN 250 Ca -0.07 -2.93 0.11 0.00 -1.94 0.00 0.00 57.00 52.18 2wfm n GLN 250 Cb 0.87 -1.10 0.58 0.00 0.11 0.00 0.00 30.24 30.70 2wfm n GLN 250 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2wfm h PRO 251 N 2.82 0.18 -0.26 -1.09 0.13 -1.67 -1.60 132.00 130.52 2wfm h PRO 251 Ca -0.09 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.88 2wfm h PRO 251 Cb 1.15 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2wfm h PRO 251 CO 0.37 0.12 -0.44 0.00 -0.23 0.00 0.00 178.00 177.82 2wfm h ARG 252 N 0.19 0.65 -0.13 0.86 3.08 -1.92 -1.23 114.38 115.88 2wfm h ARG 252 Ca 0.15 -0.35 -0.11 0.00 0.07 0.00 0.00 59.98 59.74 2wfm h ARG 252 Cb 0.36 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2wfm h ARG 252 CO -0.02 0.96 -0.35 0.93 -1.07 0.00 0.00 179.97 180.42 2wfm h GLU 253 N 0.52 0.47 -0.61 0.04 4.39 -1.73 0.42 114.58 118.09 2wfm h GLU 253 Ca 0.04 -0.33 0.11 0.00 0.34 0.00 0.00 59.36 59.52 2wfm h GLU 253 Cb 0.97 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.59 2wfm h GLU 253 CO 0.09 0.94 0.16 0.28 -1.16 0.00 0.00 179.01 179.32 2wfm h VAL 254 N 0.08 0.67 -0.11 3.13 2.07 -1.31 -0.21 116.25 120.57 2wfm h VAL 254 Ca -0.01 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2wfm h VAL 254 Cb 0.96 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2wfm h VAL 254 CO 0.08 0.05 0.04 0.00 0.02 0.00 0.00 177.57 177.76 2wfm h LYS 256 N 0.01 -0.06 -0.46 0.00 1.79 -0.57 -0.73 116.57 116.55 2wfm h LYS 256 Ca 0.04 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.58 2wfm h LYS 256 Cb 0.17 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.77 2wfm h LYS 256 CO -0.00 -0.04 0.10 0.00 -1.08 0.00 0.00 179.45 178.42 2wfm h LEU 258 N 0.24 0.76 -0.32 0.00 5.85 -0.65 0.25 115.31 121.43 2wfm h LEU 258 Ca 0.22 -0.19 -0.19 0.00 0.84 0.00 0.00 57.88 58.57 2wfm h LEU 258 Cb 0.28 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2wfm h LEU 258 CO -0.29 0.83 -0.57 -0.07 -0.34 0.00 0.00 178.44 178.01 2wfm h LEU 259 N 0.74 0.92 0.34 2.25 3.38 -0.91 -1.86 115.31 120.17 2wfm h LEU 259 Ca 0.14 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2wfm h LEU 259 Cb 0.46 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2wfm h LEU 259 CO 0.02 1.29 -0.16 0.44 0.09 0.00 0.00 178.44 180.12 2wfm h ASP 260 N 0.63 -0.39 -0.93 -0.43 3.32 -0.87 -0.74 116.42 117.00 2wfm h ASP 260 Ca 0.01 -0.02 0.14 0.00 0.02 0.00 0.00 57.03 57.18 2wfm h ASP 260 Cb 1.17 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.74 2wfm h ASP 260 CO 0.12 -0.23 0.59 0.40 -1.72 0.00 0.00 179.24 178.40 2wfm h ILE 261 N -0.51 0.84 0.00 0.35 2.04 -0.97 -2.69 117.51 116.58 2wfm h ILE 261 Ca -0.05 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2wfm h ILE 261 Cb 0.39 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2wfm h ILE 261 CO 0.08 0.14 -0.61 0.77 0.00 0.00 0.00 178.15 178.52 2wfm h SER 262 N 0.77 0.00 -0.02 1.72 4.64 -1.14 -3.50 113.55 116.01 2wfm h SER 262 Ca 0.47 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2wfm h SER 262 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2wfm h SER 262 CO -0.24 0.01 0.00 0.47 -0.87 0.00 0.00 176.83 176.20