#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 4.59 0.20 -1.09 0.74 -1.26 -5.05 119.66 117.79 2wfm s GLN 10 Ca 0.00 1.63 0.08 0.00 0.05 0.00 0.00 55.36 57.12 2wfm s GLN 10 Cb 0.00 -3.33 -0.04 0.00 1.10 0.00 0.00 33.01 30.74 2wfm s GLN 10 CO 0.00 0.04 0.02 0.15 -0.55 0.00 0.00 175.29 174.94 2wfm s LYS 11 N 0.11 2.43 -0.31 1.67 -0.14 -1.26 -4.97 119.74 117.26 2wfm s LYS 11 Ca 0.51 -1.16 -0.04 0.00 -1.36 0.00 0.00 55.97 53.92 2wfm s LYS 11 Cb -0.27 -2.34 0.04 0.00 -1.68 0.00 0.00 37.83 33.59 2wfm s LYS 11 CO 0.32 0.43 0.04 -1.58 -0.76 0.00 0.00 175.35 173.80 2wfm s HIS 12 N -1.88 3.25 -0.24 3.18 5.65 -1.26 -0.71 115.29 123.28 2wfm s HIS 12 Ca 0.29 -1.69 -0.13 0.00 0.25 0.00 0.00 55.06 53.78 2wfm s HIS 12 Cb -0.09 -2.17 -0.04 0.00 -1.18 0.00 0.00 32.58 29.10 2wfm s HIS 12 CO 0.19 -0.77 0.29 -0.06 -0.65 0.00 0.00 174.74 173.74 2wfm s PHE 13 N 1.31 3.30 -0.27 3.88 0.08 0.94 -0.72 117.98 126.51 2wfm s PHE 13 Ca -0.04 0.37 -0.09 0.00 0.12 0.00 0.00 56.93 57.29 2wfm s PHE 13 Cb -0.20 -2.43 -0.03 0.00 -0.57 0.00 0.00 43.02 39.79 2wfm s PHE 13 CO 0.00 -0.06 0.13 0.08 -0.10 0.00 0.00 175.22 175.28 2wfm s VAL 14 N 1.47 4.77 -0.19 -0.44 1.01 0.40 -0.52 120.40 126.90 2wfm s VAL 14 Ca 0.13 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 2wfm s VAL 14 Cb -0.15 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 2wfm s VAL 14 CO 0.08 0.26 0.11 -0.76 0.00 0.00 0.00 175.10 174.79 2wfm s LEU 15 N 1.68 4.11 -0.19 3.92 1.43 0.57 -1.25 118.68 128.95 2wfm s LEU 15 Ca 0.06 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 2wfm s LEU 15 Cb -0.16 -2.05 0.04 0.00 0.03 0.00 0.00 46.19 44.05 2wfm s LEU 15 CO 0.07 0.19 -0.10 -0.69 0.23 0.00 0.00 176.35 176.05 2wfm s VAL 16 N 0.29 1.59 0.62 -1.59 1.01 0.61 -2.70 120.40 120.23 2wfm s VAL 16 Ca 0.07 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 2wfm s VAL 16 Cb -0.11 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2wfm s VAL 16 CO -0.01 0.21 1.03 -1.38 0.00 0.00 0.00 175.10 174.95 2wfm s HIS 17 N 1.43 3.60 0.00 5.22 -3.43 -1.26 -1.29 115.29 119.56 2wfm s HIS 17 Ca -0.00 1.26 0.00 0.00 -0.80 0.00 0.00 55.06 55.52 2wfm s HIS 17 Cb -0.16 -2.74 0.00 0.00 -1.43 0.00 0.00 32.58 28.26 2wfm s HIS 17 CO -0.09 -0.72 0.00 0.41 -2.00 0.00 0.00 174.74 172.35 2wfm n GLY 18 N -2.76 0.87 3.77 -1.38 0.00 -1.18 -3.65 105.19 100.87 2wfm n GLY 18 Ca 0.06 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.84 2.87 -0.21 -0.02 0.00 -1.26 -2.94 107.32 104.93 2wfm s GLY 19 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.48 2wfm s GLY 19 CO 0.00 1.26 0.00 0.00 0.00 0.00 0.00 173.10 174.36 2wfm n LEU 21 N -0.22 0.00 -3.81 0.00 4.77 -1.15 -3.35 117.00 113.24 2wfm n LEU 21 Ca -0.02 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.93 2wfm n LEU 21 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2wfm n LEU 21 CO 0.03 -0.02 0.77 -0.83 -1.33 0.00 0.00 177.39 176.01 2wfm s GLY 22 N -0.39 -0.04 0.53 -0.72 0.00 -1.26 -3.36 107.32 102.08 2wfm s GLY 22 Ca 0.00 -0.12 0.34 0.00 0.00 0.00 0.00 44.72 44.94 2wfm s GLY 22 CO 0.00 1.17 1.83 0.00 0.00 0.00 0.00 173.10 176.09 2wfm h ALA 23 N 2.00 3.01 -0.02 3.20 0.00 -1.86 -2.31 119.26 123.27 2wfm h ALA 23 Ca -0.26 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.62 2wfm h ALA 23 Cb 1.22 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2wfm h ALA 23 CO 0.31 -1.33 0.08 0.11 0.00 0.00 0.00 179.25 178.43 2wfm h TRP 24 N 0.02 0.00 0.00 0.00 5.08 -1.92 -1.44 115.95 117.69 2wfm h TRP 24 Ca 0.53 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.49 2wfm h TRP 24 Cb 2.08 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 28.24 2wfm h TRP 24 CO -0.00 0.00 -0.04 -0.84 -1.28 0.00 0.00 178.44 176.28 2wfm h ILE 25 N 0.00 0.17 -0.33 0.12 3.07 -1.84 -2.39 117.51 116.32 2wfm h ILE 25 Ca 0.01 -0.40 0.00 0.00 1.55 0.00 0.00 64.86 66.02 2wfm h ILE 25 Cb 0.18 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 38.06 2wfm h ILE 25 CO -0.00 0.04 0.00 0.79 -1.05 0.00 0.00 178.15 177.93 2wfm n TRP 26 N -3.24 0.83 0.29 0.16 7.02 -0.54 -4.43 117.44 117.53 2wfm n TRP 26 Ca -0.01 -0.32 0.18 0.00 -1.02 0.00 0.00 57.50 56.33 2wfm n TRP 26 Cb 0.23 -0.18 0.79 0.00 -2.42 0.00 0.00 31.31 29.73 2wfm n TRP 26 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 2wfm h TYR 27 N 2.10 0.00 0.03 -5.99 -0.00 -1.61 -1.02 116.97 110.47 2wfm h TYR 27 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 58.73 58.38 2wfm h TYR 27 Cb 0.95 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.62 2wfm h TYR 27 CO 0.43 0.01 -2.13 1.63 -0.00 0.00 0.00 178.16 178.10 2wfm n LYS 28 N -3.11 0.68 0.00 0.10 5.02 -1.26 -4.38 118.16 115.21 2wfm n LYS 28 Ca -0.00 0.17 -0.18 0.00 -2.02 0.00 0.00 58.31 56.28 2wfm n LYS 28 Cb 0.26 -1.64 -0.10 0.00 -0.02 0.00 0.00 35.03 33.53 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 0.02 0.64 -0.37 -0.35 5.85 -1.67 -3.28 115.31 116.15 2wfm h LEU 29 Ca -0.45 -0.73 0.08 0.00 0.84 0.00 0.00 57.88 57.62 2wfm h LEU 29 Cb 2.06 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 42.81 2wfm h LEU 29 CO 0.03 1.28 -0.26 0.50 -0.34 0.00 0.00 178.44 179.65 2wfm h LYS 30 N 0.07 -0.20 0.00 1.25 3.64 -1.42 -0.22 116.57 119.69 2wfm h LYS 30 Ca -0.08 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 2wfm h LYS 30 Cb 1.36 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 2wfm h LYS 30 CO 0.13 -0.13 -0.20 -1.00 -2.27 0.00 0.00 179.45 175.98 2wfm h PRO 31 N -0.21 0.00 -0.50 1.90 0.13 -1.76 -1.37 132.00 130.18 2wfm h PRO 31 Ca 0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.22 2wfm h PRO 31 Cb 0.49 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 2wfm h PRO 31 CO -0.49 0.20 -0.04 -0.07 -0.23 0.00 0.00 178.00 177.38 2wfm h LEU 32 N 0.00 0.91 -0.67 1.56 3.38 -1.17 -0.54 115.31 118.77 2wfm h LEU 32 Ca -0.00 -0.32 -0.14 0.00 0.09 0.00 0.00 57.88 57.50 2wfm h LEU 32 Cb 0.45 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2wfm h LEU 32 CO 0.03 1.01 -0.54 -0.07 0.09 0.00 0.00 178.44 178.96 2wfm h LEU 33 N 0.78 0.39 -0.19 1.67 3.38 -0.75 -2.46 115.31 118.12 2wfm h LEU 33 Ca 0.14 -0.20 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 2wfm h LEU 33 Cb 0.57 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.21 2wfm h LEU 33 CO 0.03 0.85 -0.61 -0.33 0.09 0.00 0.00 178.44 178.48 2wfm h GLU 34 N 0.28 0.75 -0.70 1.13 5.08 -1.19 -2.13 114.58 117.80 2wfm h GLU 34 Ca 0.01 -0.55 0.14 0.00 -1.00 0.00 0.00 59.36 57.96 2wfm h GLU 34 Cb 1.03 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 2wfm h GLU 34 CO 0.09 1.17 0.48 0.77 -1.00 0.00 0.00 179.01 180.52 2wfm h SER 35 N 0.48 0.32 -0.05 1.42 0.02 -1.06 0.27 113.55 114.95 2wfm h SER 35 Ca -0.02 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wfm h SER 35 Cb 1.23 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2wfm h SER 35 CO 0.13 0.17 0.00 0.00 -1.14 0.00 0.00 176.83 175.99 2wfm n ALA 36 N -2.54 2.59 0.00 3.77 0.00 -0.93 -4.88 120.51 118.52 2wfm n ALA 36 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2wfm n ALA 36 Cb 0.53 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 0.92 1.03 3.73 0.00 0.00 0.94 -5.07 105.19 106.75 2wfm n GLY 37 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 2.68 -0.06 1.61 3.76 -0.83 -4.66 115.29 115.79 2wfm s HIS 38 Ca 0.00 -0.43 -0.11 0.00 -0.15 0.00 0.00 55.06 54.37 2wfm s HIS 38 Cb 0.00 -1.72 -0.05 0.00 1.11 0.00 0.00 32.58 31.92 2wfm s HIS 38 CO 0.00 0.29 0.27 0.21 -0.85 0.00 0.00 174.74 174.66 2wfm s LYS 39 N -3.86 3.66 -0.06 1.40 2.20 0.11 -4.06 119.74 119.14 2wfm s LYS 39 Ca 0.39 0.12 0.01 0.00 -0.36 0.00 0.00 55.97 56.13 2wfm s LYS 39 Cb -0.01 -3.20 0.02 0.00 -1.51 0.00 0.00 37.83 33.13 2wfm s LYS 39 CO 0.23 0.74 -0.05 0.08 -0.36 0.00 0.00 175.35 175.99 2wfm s VAL 40 N -1.05 0.61 -0.23 4.02 1.01 -1.26 -0.04 120.40 123.46 2wfm s VAL 40 Ca 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 2wfm s VAL 40 Cb -0.14 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.59 2wfm s VAL 40 CO 0.08 0.26 -0.05 -0.89 0.00 0.00 0.00 175.10 174.50 2wfm s THR 41 N 1.14 3.22 -0.36 3.92 2.01 0.32 -4.96 115.64 120.93 2wfm s THR 41 Ca -0.07 -0.63 -0.06 0.00 0.31 0.00 0.00 61.69 61.24 2wfm s THR 41 Cb -0.14 -2.50 0.06 0.00 0.01 0.00 0.00 72.50 69.93 2wfm s THR 41 CO -0.01 0.37 0.13 0.00 -0.69 0.00 0.00 174.62 174.42 2wfm s ALA 42 N 1.44 3.07 0.11 7.40 0.00 -1.26 -0.31 121.76 132.20 2wfm s ALA 42 Ca 0.05 -1.95 -0.15 0.00 0.00 0.00 0.00 51.96 49.90 2wfm s ALA 42 Cb -0.15 -2.31 -0.07 0.00 0.00 0.00 0.00 23.12 20.59 2wfm s ALA 42 CO -0.04 -1.46 0.53 0.54 0.00 0.00 0.00 175.76 175.33 2wfm s VAL 43 N 1.34 4.86 -0.22 0.00 0.11 -1.10 -4.78 120.40 120.61 2wfm s VAL 43 Ca 0.00 0.91 -0.18 0.00 -2.93 0.00 0.00 61.98 59.79 2wfm s VAL 43 Cb -0.21 -3.77 -0.03 0.00 -1.53 0.00 0.00 36.38 30.84 2wfm s VAL 43 CO 0.01 0.37 0.49 -1.81 -3.33 0.00 0.00 175.10 170.83 2wfm s ASP 44 N -1.48 6.48 0.96 3.54 1.01 -1.26 -3.51 116.67 122.42 2wfm s ASP 44 Ca 0.33 0.58 -0.15 0.00 0.71 0.00 0.00 52.55 54.03 2wfm s ASP 44 Cb -0.16 -2.27 0.17 0.00 1.01 0.00 0.00 42.92 41.67 2wfm s ASP 44 CO 0.18 -0.19 1.19 -0.76 0.21 0.00 0.00 175.17 175.80 2wfm s LEU 45 N 1.81 2.05 0.31 1.23 1.43 -1.26 -4.68 118.68 119.57 2wfm s LEU 45 Ca 0.22 0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 53.71 2wfm s LEU 45 Cb -0.15 -2.84 -0.11 0.00 0.03 0.00 0.00 46.19 43.12 2wfm s LEU 45 CO 0.09 -2.80 1.43 -0.44 0.23 0.00 0.00 176.35 174.87 2wfm s SER 46 N -4.33 6.57 -1.72 2.29 0.01 -0.71 -1.41 113.70 114.41 2wfm s SER 46 Ca 0.68 2.81 0.00 0.00 1.31 0.00 0.00 55.95 60.75 2wfm s SER 46 Cb -0.10 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2wfm s SER 46 CO 0.53 -0.73 0.00 0.00 0.41 0.00 0.00 173.24 173.45 2wfm n ALA 47 N 1.36 -0.50 -2.46 1.44 0.00 -1.25 -4.93 120.51 114.17 2wfm n ALA 47 Ca 0.03 0.21 -0.27 0.00 0.00 0.00 0.00 53.44 53.41 2wfm n ALA 47 Cb 0.40 -1.92 -0.11 0.00 0.00 0.00 0.00 19.45 17.82 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 -2.76 2.62 0.00 0.00 0.00 -0.50 -4.79 121.76 116.34 2wfm s ALA 48 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.35 2wfm s ALA 48 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.70 2wfm s ALA 48 CO 0.00 0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.61 2wfm n GLY 49 N 0.22 3.32 1.65 0.00 0.00 -1.21 -0.92 105.19 108.24 2wfm n GLY 49 Ca -0.12 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 2.06 -1.69 -0.61 -5.35 -1.26 -4.94 119.36 107.57 2wfm n ILE 50 Ca 0.00 -1.19 -0.44 0.00 -0.27 0.00 0.00 62.75 60.85 2wfm n ILE 50 Cb 0.00 -0.05 -0.04 0.00 -1.74 0.00 0.00 39.64 37.82 2wfm n ILE 50 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2wfm n ASN 51 N 0.90 3.69 0.16 7.28 2.85 -0.10 -4.88 115.26 125.16 2wfm n ASN 51 Ca 0.25 1.03 0.13 0.00 -0.11 0.00 0.00 54.58 55.89 2wfm n ASN 51 Cb 0.97 -1.50 0.55 0.00 1.24 0.00 0.00 39.78 41.03 2wfm n ASN 51 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2wfm h PRO 52 N 7.35 0.00 -7.13 1.20 0.13 -1.92 -3.39 132.00 128.24 2wfm h PRO 52 Ca -0.45 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.17 2wfm h PRO 52 Cb 1.23 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.45 2wfm h PRO 52 CO 0.93 0.00 0.41 1.03 -0.23 0.00 0.00 178.00 180.15 2wfm s ARG 53 N -3.41 3.14 -0.01 0.86 1.81 -1.26 -4.97 118.95 115.11 2wfm s ARG 53 Ca 0.03 1.54 -0.02 0.00 -1.72 0.00 0.00 55.73 55.56 2wfm s ARG 53 Cb 0.09 -1.98 -0.04 0.00 -0.45 0.00 0.00 34.95 32.57 2wfm s ARG 53 CO 0.40 -1.01 0.16 1.03 -0.68 0.00 0.00 175.30 175.21 2wfm s ARG 54 N -3.58 3.36 0.38 3.54 0.52 -1.26 -3.74 118.95 118.17 2wfm s ARG 54 Ca 0.71 -0.36 0.04 0.00 -0.52 0.00 0.00 55.73 55.60 2wfm s ARG 54 Cb -0.23 -3.05 0.73 0.00 0.52 0.00 0.00 34.95 32.92 2wfm s ARG 54 CO 0.32 0.67 2.03 1.25 0.02 0.00 0.00 175.30 179.59 2wfm h LEU 55 N 3.85 0.62 0.00 2.53 5.85 -1.90 -0.28 115.31 125.98 2wfm h LEU 55 Ca -0.49 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2wfm h LEU 55 Cb 1.19 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2wfm h LEU 55 CO 0.68 0.45 0.00 -0.90 -0.34 0.00 0.00 178.44 178.33 2wfm n ASP 56 N -4.45 0.00 -1.30 1.25 5.68 -1.26 -1.31 116.55 115.16 2wfm n ASP 56 Ca 0.05 -0.22 0.08 0.00 -0.50 0.00 0.00 54.79 54.21 2wfm n ASP 56 Cb 0.05 -0.16 0.31 0.00 -1.14 0.00 0.00 41.12 40.17 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 -1.16 3.50 -3.94 0.11 0.28 -0.12 -4.86 120.64 114.45 2wfm n GLU 57 Ca 0.10 -2.75 -0.30 0.00 -0.16 0.00 0.00 57.16 54.04 2wfm n GLU 57 Cb 0.10 -1.80 -0.15 0.00 1.43 0.00 0.00 31.44 31.02 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 -1.95 1.57 -0.02 3.84 -1.09 -0.43 -4.96 121.20 118.15 2wfm s ILE 58 Ca 0.45 -1.30 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 2wfm s ILE 58 Cb 0.30 -1.85 -0.00 0.00 -1.58 0.00 0.00 42.46 39.33 2wfm s ILE 58 CO 0.19 -0.14 0.12 1.41 -1.23 0.00 0.00 174.94 175.30 2wfm n HIS 59 N 4.65 0.00 -4.33 3.97 8.25 -1.26 -4.96 115.22 121.53 2wfm n HIS 59 Ca -0.11 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.10 2wfm n HIS 59 Cb 0.44 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.43 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 -0.82 1.89 0.30 1.59 -4.23 -1.26 -4.81 115.64 108.30 2wfm s THR 60 Ca 0.00 -1.72 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 2wfm s THR 60 Cb 0.00 -1.75 0.28 0.00 1.34 0.00 0.00 72.50 72.37 2wfm s THR 60 CO 0.01 -0.10 1.91 0.15 -0.54 0.00 0.00 174.62 176.05 2wfm h PHE 61 N 3.76 1.05 -0.27 3.99 3.57 -1.93 -1.79 116.94 125.32 2wfm h PHE 61 Ca -0.46 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 2wfm h PHE 61 Cb 1.19 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 2wfm h PHE 61 CO 0.64 0.54 0.13 -0.09 -2.23 0.00 0.00 178.31 177.29 2wfm h ARG 62 N 1.02 0.39 -0.66 1.11 2.43 -1.97 0.15 114.38 116.85 2wfm h ARG 62 Ca 0.40 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.53 2wfm h ARG 62 Cb 0.22 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 2wfm h ARG 62 CO -0.15 0.39 0.42 -0.44 -1.51 0.00 0.00 179.97 178.67 2wfm h ASP 63 N 0.30 0.69 -0.71 -3.80 3.32 -1.93 -2.43 116.42 111.86 2wfm h ASP 63 Ca 0.09 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.15 2wfm h ASP 63 Cb 0.13 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 2wfm h ASP 63 CO -0.01 0.48 0.47 0.22 -1.72 0.00 0.00 179.24 178.68 2wfm h TYR 64 N 0.82 0.89 0.00 4.55 3.20 -0.91 -2.93 116.97 122.60 2wfm h TYR 64 Ca 0.26 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2wfm h TYR 64 Cb 0.01 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 37.97 2wfm h TYR 64 CO -0.04 0.56 0.00 0.43 -1.64 0.00 0.00 178.16 177.46 2wfm n SER 65 N -4.59 0.00 -0.34 -2.11 7.64 0.50 -1.73 113.62 112.98 2wfm n SER 65 Ca 0.06 -0.54 0.03 0.00 1.01 0.00 0.00 58.87 59.44 2wfm n SER 65 Cb 0.02 -0.15 0.18 0.00 -1.01 0.00 0.00 64.21 63.26 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 0.00 0.99 0.00 1.43 4.57 -1.24 -1.40 114.58 118.92 2wfm h GLU 66 Ca 0.00 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2wfm h GLU 66 Cb 0.14 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 2wfm h GLU 66 CO 0.00 0.65 -0.11 -1.35 -1.18 0.00 0.00 179.01 177.03 2wfm h PRO 67 N 1.02 0.00 -0.28 0.92 0.11 -1.83 -0.99 132.00 130.95 2wfm h PRO 67 Ca 0.43 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.39 2wfm h PRO 67 Cb 0.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 2wfm h PRO 67 CO -0.21 0.11 -0.43 1.25 -0.21 0.00 0.00 178.00 178.51 2wfm h LEU 68 N 0.00 0.86 -1.10 2.35 5.85 -1.57 -2.95 115.31 118.75 2wfm h LEU 68 Ca -0.00 -0.52 -0.05 0.00 0.84 0.00 0.00 57.88 58.15 2wfm h LEU 68 Cb 0.23 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2wfm h LEU 68 CO 0.01 1.21 0.05 0.24 -0.34 0.00 0.00 178.44 179.62 2wfm h MET 69 N 0.54 0.69 -0.78 1.25 2.86 -0.92 -1.26 114.93 117.31 2wfm h MET 69 Ca 0.03 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 2wfm h MET 69 Cb 1.03 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.55 2wfm h MET 69 CO 0.10 0.67 0.31 0.93 1.06 0.00 0.00 176.91 179.98 2wfm h GLU 70 N 0.66 1.16 -0.50 1.72 5.08 -1.22 -0.09 114.58 121.39 2wfm h GLU 70 Ca 0.14 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2wfm h GLU 70 Cb 0.33 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2wfm h GLU 70 CO 0.01 0.94 0.30 0.28 -1.00 0.00 0.00 179.01 179.54 2wfm h VAL 71 N 1.13 1.06 -0.92 3.13 2.07 -1.29 -2.89 116.25 118.54 2wfm h VAL 71 Ca 0.26 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2wfm h VAL 71 Cb 0.21 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 2wfm h VAL 71 CO -0.02 0.11 0.54 0.24 0.02 0.00 0.00 177.57 178.46 2wfm h MET 72 N 0.60 1.27 0.00 1.57 2.86 -0.66 -2.58 114.93 117.99 2wfm h MET 72 Ca 0.20 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2wfm h MET 72 Cb 0.01 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.41 2wfm h MET 72 CO -0.08 0.90 -0.06 0.00 1.06 0.00 0.00 176.91 178.73 2wfm h ALA 73 N 1.31 1.00 -0.45 6.32 0.00 -0.93 -2.90 119.26 123.61 2wfm h ALA 73 Ca 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2wfm h ALA 73 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wfm h ALA 73 CO -0.06 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 2wfm n SER 74 N -3.16 3.19 -4.66 0.00 3.41 -0.98 -4.89 113.62 106.53 2wfm n SER 74 Ca 0.01 -1.96 -0.42 0.00 -0.26 0.00 0.00 58.87 56.24 2wfm n SER 74 Cb 0.38 -0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.41 3.88 0.82 -1.33 1.01 -1.10 -4.99 121.20 118.09 2wfm s ILE 75 Ca 0.39 1.10 -0.13 0.00 0.00 0.00 0.00 60.65 62.01 2wfm s ILE 75 Cb 0.22 -3.71 0.06 0.00 0.01 0.00 0.00 42.46 39.04 2wfm s ILE 75 CO 0.30 -0.08 0.99 -0.81 0.00 0.00 0.00 174.94 175.33 2wfm n PRO 76 N 6.64 0.08 -0.07 2.79 -0.04 -1.26 -4.89 135.00 138.25 2wfm n PRO 76 Ca 0.15 0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 2wfm n PRO 76 Cb 0.44 -2.26 0.50 0.00 -0.04 0.00 0.00 33.50 32.14 2wfm n PRO 76 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2wfm h PRO 77 N -0.99 0.39 -1.06 0.54 0.11 -1.98 -2.43 132.00 126.58 2wfm h PRO 77 Ca -0.45 -0.02 -0.37 0.00 0.11 0.00 0.00 66.00 65.27 2wfm h PRO 77 Cb 1.30 -0.09 -0.20 0.00 0.11 0.00 0.00 31.00 32.12 2wfm h PRO 77 CO 0.43 0.26 0.47 -0.40 -0.21 0.00 0.00 178.00 178.55 2wfm n ASP 78 N -4.47 4.11 -3.86 -2.05 5.75 -1.26 -4.93 116.55 109.84 2wfm n ASP 78 Ca 0.09 -3.12 -0.11 0.00 -0.01 0.00 0.00 54.79 51.63 2wfm n ASP 78 Cb 0.34 -0.78 -0.11 0.00 -1.03 0.00 0.00 41.12 39.55 2wfm n ASP 78 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2wfm s GLU 79 N -2.27 0.39 0.19 0.11 2.02 -0.92 -5.16 118.70 113.06 2wfm s GLU 79 Ca 0.39 -0.23 0.04 0.00 0.02 0.00 0.00 54.97 55.18 2wfm s GLU 79 Cb 0.32 0.16 -0.05 0.00 0.10 0.00 0.00 34.13 34.67 2wfm s GLU 79 CO 0.06 -0.09 -0.05 0.15 0.02 0.00 0.00 175.26 175.36 2wfm s LYS 80 N -0.97 1.20 0.13 1.61 1.02 -1.26 -4.76 119.74 116.71 2wfm s LYS 80 Ca -0.11 -1.57 0.09 0.00 0.02 0.00 0.00 55.97 54.40 2wfm s LYS 80 Cb -0.06 -0.60 -0.04 0.00 -0.52 0.00 0.00 37.83 36.61 2wfm s LYS 80 CO 0.01 -0.02 -0.21 0.14 -0.92 0.00 0.00 175.35 174.35 2wfm s VAL 81 N -3.39 1.85 -0.06 3.17 -7.23 0.47 -4.49 120.40 110.72 2wfm s VAL 81 Ca 0.23 -1.73 -0.21 0.00 -1.81 0.00 0.00 61.98 58.45 2wfm s VAL 81 Cb 0.04 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 2wfm s VAL 81 CO 0.05 -0.14 0.62 -0.69 -0.31 0.00 0.00 175.10 174.63 2wfm s VAL 82 N -1.51 5.04 -0.25 1.32 1.01 0.10 -1.59 120.40 124.53 2wfm s VAL 82 Ca 0.11 1.28 -0.11 0.00 0.00 0.00 0.00 61.98 63.26 2wfm s VAL 82 Cb -0.08 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2wfm s VAL 82 CO 0.06 0.32 0.20 -0.76 0.00 0.00 0.00 175.10 174.91 2wfm s LEU 83 N 0.47 4.09 -0.22 3.92 1.43 -0.95 -0.45 118.68 126.97 2wfm s LEU 83 Ca 0.33 0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.54 2wfm s LEU 83 Cb -0.17 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 43.91 2wfm s LEU 83 CO 0.16 0.02 -0.09 -0.22 0.23 0.00 0.00 176.35 176.45 2wfm s LEU 84 N 1.28 2.85 0.06 1.79 2.96 -0.38 0.11 118.68 127.36 2wfm s LEU 84 Ca 0.09 -0.66 0.10 0.00 -0.22 0.00 0.00 54.13 53.43 2wfm s LEU 84 Cb -0.14 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2wfm s LEU 84 CO 0.06 -0.06 -0.26 -0.83 -1.32 0.00 0.00 176.35 173.94 2wfm s GLY 85 N 1.37 1.43 -0.00 7.98 0.00 -0.29 -0.29 107.32 117.52 2wfm s GLY 85 Ca 0.03 -1.30 0.05 0.00 0.00 0.00 0.00 44.72 43.50 2wfm s GLY 85 CO -0.06 -1.21 -0.17 -2.38 0.00 0.00 0.00 173.10 169.28 2wfm s HIS 86 N -0.85 1.52 0.00 1.90 -0.00 -0.41 -1.55 115.29 115.89 2wfm s HIS 86 Ca 0.12 -0.30 0.00 0.00 -0.00 0.00 0.00 55.06 54.88 2wfm s HIS 86 Cb -0.10 -0.96 0.00 0.00 -0.00 0.00 0.00 32.58 31.52 2wfm s HIS 86 CO 0.03 -0.00 0.00 0.45 -0.00 0.00 0.00 174.74 175.21 2wfm n SER 87 N 2.48 0.00 0.24 7.38 2.88 -1.12 -0.50 113.62 124.98 2wfm n SER 87 Ca -0.15 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.46 2wfm n SER 87 Cb 0.54 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.57 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 -1.27 0.66 3.57 -1.88 -1.53 116.94 116.48 2wfm h PHE 88 Ca 0.00 0.00 0.42 0.00 3.53 0.00 0.00 57.97 61.92 2wfm h PHE 88 Cb 0.00 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 38.61 2wfm h PHE 88 CO 0.00 0.14 0.81 0.78 -2.23 0.00 0.00 178.31 177.81 2wfm h GLY 89 N 0.47 1.37 1.19 2.40 0.00 -0.86 0.93 103.07 108.58 2wfm h GLY 89 Ca -0.00 -0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.28 2wfm h GLY 89 CO 0.02 -0.40 0.33 -1.33 0.00 0.00 0.00 176.54 175.15 2wfm h GLY 90 N 0.11 0.00 1.66 4.60 0.00 -1.58 -0.65 103.07 107.21 2wfm h GLY 90 Ca 0.80 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.96 2wfm h GLY 90 CO -0.43 0.00 -0.72 -0.33 0.00 0.00 0.00 176.54 175.06 2wfm h MET 91 N 0.00 0.33 -0.18 4.80 2.07 -0.91 -1.71 114.93 119.33 2wfm h MET 91 Ca 0.13 -0.27 -0.20 0.00 -2.07 0.00 0.00 59.70 57.29 2wfm h MET 91 Cb 0.79 0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.58 2wfm h MET 91 CO -0.00 0.92 -0.68 0.77 1.07 0.00 0.00 176.91 178.98 2wfm h SER 92 N 0.23 0.83 -0.16 1.22 0.02 -1.28 -2.42 113.55 112.00 2wfm h SER 92 Ca -0.03 -0.51 0.05 0.00 -0.84 0.00 0.00 61.79 60.47 2wfm h SER 92 Cb 1.28 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 63.52 2wfm h SER 92 CO 0.12 1.29 -0.20 -0.07 -1.14 0.00 0.00 176.83 176.82 2wfm h LEU 93 N 0.51 -0.63 -0.74 5.07 4.07 -1.17 -2.13 115.31 120.30 2wfm h LEU 93 Ca -0.02 0.11 0.16 0.00 0.08 0.00 0.00 57.88 58.20 2wfm h LEU 93 Cb 1.29 0.29 -0.11 0.00 1.08 0.00 0.00 40.66 43.21 2wfm h LEU 93 CO 0.14 -0.25 0.21 1.23 -1.08 0.00 0.00 178.44 178.69 2wfm h GLY 94 N -0.24 1.06 1.32 0.83 0.00 -1.05 0.11 103.07 105.10 2wfm h GLY 94 Ca 0.11 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 2wfm h GLY 94 CO -0.30 -0.18 -0.08 -2.00 0.00 0.00 0.00 176.54 173.98 2wfm h LEU 95 N 0.31 0.79 -0.71 3.11 5.85 -1.20 -0.35 115.31 123.11 2wfm h LEU 95 Ca 0.42 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 2wfm h LEU 95 Cb 0.70 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2wfm h LEU 95 CO -0.48 0.91 -0.43 0.00 -0.34 0.00 0.00 178.44 178.09 2wfm h ALA 96 N 1.17 0.89 -0.06 1.25 0.00 -0.65 -2.12 119.26 119.74 2wfm h ALA 96 Ca 0.13 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 2wfm h ALA 96 Cb 0.57 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2wfm h ALA 96 CO 0.03 0.64 -0.68 0.52 0.00 0.00 0.00 179.25 179.77 2wfm h MET 97 N 0.39 0.27 -0.03 0.00 2.86 -0.37 0.82 114.93 118.87 2wfm h MET 97 Ca 0.03 -0.21 -0.18 0.00 -2.06 0.00 0.00 59.70 57.28 2wfm h MET 97 Cb 0.92 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 2wfm h MET 97 CO 0.08 0.85 -0.78 1.49 1.06 0.00 0.00 176.91 179.61 2wfm h GLU 98 N 0.19 0.25 0.11 1.72 4.57 -1.02 -3.11 114.58 117.30 2wfm h GLU 98 Ca -0.02 -0.23 -0.36 0.00 -1.18 0.00 0.00 59.36 57.57 2wfm h GLU 98 Cb 1.22 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.85 2wfm h GLU 98 CO 0.11 0.91 -1.96 2.41 -1.18 0.00 0.00 179.01 179.30 2wfm n THR 99 N -3.75 1.76 -2.93 0.32 -1.04 -0.80 -4.57 114.28 103.27 2wfm n THR 99 Ca -0.04 -0.61 -0.24 0.00 -2.04 0.00 0.00 64.05 61.12 2wfm n THR 99 Cb 0.74 -1.75 -0.03 0.00 -1.82 0.00 0.00 70.33 67.47 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 -3.55 3.03 -0.24 -1.42 4.01 0.26 -4.94 117.16 114.32 2wfm n TYR 100 Ca -0.32 -3.80 0.03 0.00 -0.16 0.00 0.00 57.90 53.65 2wfm n TYR 100 Cb 1.02 -0.42 0.27 0.00 -0.31 0.00 0.00 39.34 39.90 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 2.94 0.93 0.00 -0.72 0.13 -1.70 -2.23 132.00 131.35 2wfm h PRO 101 Ca 0.13 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2wfm h PRO 101 Cb 0.68 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.60 2wfm h PRO 101 CO 0.74 0.61 0.00 -0.85 -0.23 0.00 0.00 178.00 178.27 2wfm n GLU 102 N -4.46 0.00 -0.04 0.86 -0.00 -1.26 -2.95 120.64 112.79 2wfm n GLU 102 Ca 0.11 0.10 0.13 0.00 -0.00 0.00 0.00 57.16 57.50 2wfm n GLU 102 Cb 0.15 -1.50 0.40 0.00 -0.00 0.00 0.00 31.44 30.49 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 -1.50 1.84 -4.61 3.44 4.76 -0.84 -4.86 118.16 116.39 2wfm n LYS 103 Ca 0.06 -1.23 -0.33 0.00 -2.87 0.00 0.00 58.31 53.94 2wfm n LYS 103 Cb 0.27 -1.45 -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 -1.90 2.43 0.00 -0.18 1.01 -1.15 -0.40 121.20 121.01 2wfm s ILE 104 Ca 0.35 -0.85 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 2wfm s ILE 104 Cb 0.20 -2.00 -0.34 0.00 0.01 0.00 0.00 42.46 40.32 2wfm s ILE 104 CO 0.31 0.53 0.96 0.77 0.00 0.00 0.00 174.94 177.51 2wfm h SER 105 N 7.28 0.73 -3.80 3.58 4.64 -1.61 -3.46 113.55 120.90 2wfm h SER 105 Ca -0.32 -0.93 -0.05 0.00 -0.47 0.00 0.00 61.79 60.02 2wfm h SER 105 Cb 1.19 -0.24 -0.22 0.00 -0.31 0.00 0.00 62.40 62.83 2wfm h SER 105 CO 0.56 1.61 0.02 0.54 -0.87 0.00 0.00 176.83 178.70 2wfm s VAL 106 N -2.54 -0.00 -0.25 0.95 0.11 -1.26 -4.34 120.40 113.06 2wfm s VAL 106 Ca -0.11 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.87 2wfm s VAL 106 Cb 0.03 -0.90 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 2wfm s VAL 106 CO 0.91 0.00 0.10 0.00 -3.33 0.00 0.00 175.10 172.78 2wfm s ALA 107 N 0.57 3.27 -0.25 1.54 0.00 -0.05 -2.24 121.76 124.60 2wfm s ALA 107 Ca -0.02 -1.08 -0.08 0.00 0.00 0.00 0.00 51.96 50.78 2wfm s ALA 107 Cb -0.05 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 2wfm s ALA 107 CO -0.03 -0.43 0.10 0.08 0.00 0.00 0.00 175.76 175.48 2wfm s VAL 108 N 1.52 4.67 -0.31 0.00 1.01 0.31 -1.02 120.40 126.58 2wfm s VAL 108 Ca 0.06 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 2wfm s VAL 108 Cb -0.15 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2wfm s VAL 108 CO 0.05 0.33 0.21 -0.36 0.00 0.00 0.00 175.10 175.33 2wfm s PHE 109 N 1.47 3.21 -0.29 5.22 0.08 -0.07 -1.14 117.98 126.47 2wfm s PHE 109 Ca 0.06 -0.15 -0.05 0.00 0.12 0.00 0.00 56.93 56.90 2wfm s PHE 109 Cb -0.15 -2.42 0.02 0.00 -0.57 0.00 0.00 43.02 39.90 2wfm s PHE 109 CO 0.05 -0.31 0.04 1.41 -0.10 0.00 0.00 175.22 176.32 2wfm s MET 110 N 1.72 2.90 -1.40 0.44 -2.45 -0.59 -1.05 119.30 118.86 2wfm s MET 110 Ca 0.06 -0.97 -0.07 0.00 -1.25 0.00 0.00 55.69 53.46 2wfm s MET 110 Cb -0.17 -3.28 0.01 0.00 1.25 0.00 0.00 34.83 32.64 2wfm s MET 110 CO 0.10 -0.48 0.35 0.45 1.05 0.00 0.00 175.02 176.49 2wfm n SER 111 N 4.79 -0.91 -4.40 1.11 2.88 -0.50 -3.16 113.62 113.43 2wfm n SER 111 Ca -0.15 -1.14 -0.20 0.00 -1.33 0.00 0.00 58.87 56.06 2wfm n SER 111 Cb 0.47 -2.41 -0.10 0.00 -0.75 0.00 0.00 64.21 61.41 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 -4.00 2.12 -0.31 -1.46 0.00 -1.26 -2.78 121.76 114.07 2wfm s ALA 112 Ca 0.12 -1.99 -0.28 0.00 0.00 0.00 0.00 51.96 49.81 2wfm s ALA 112 Cb -0.05 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.88 2wfm s ALA 112 CO 0.93 -0.36 1.03 -1.64 0.00 0.00 0.00 175.76 175.72 2wfm s MET 113 N -3.94 4.06 -0.31 0.00 -1.94 -0.61 -4.85 119.30 111.70 2wfm s MET 113 Ca 0.37 1.01 -0.08 0.00 -1.71 0.00 0.00 55.69 55.28 2wfm s MET 113 Cb 0.08 -3.73 0.01 0.00 2.01 0.00 0.00 34.83 33.21 2wfm s MET 113 CO 0.15 -0.85 0.11 1.41 -0.01 0.00 0.00 175.02 175.83 2wfm s MET 114 N 3.51 3.02 0.82 2.03 1.75 -1.26 -3.85 119.30 125.32 2wfm s MET 114 Ca 0.43 -0.91 -0.10 0.00 -1.25 0.00 0.00 55.69 53.85 2wfm s MET 114 Cb -0.13 -3.46 0.09 0.00 2.84 0.00 0.00 34.83 34.17 2wfm s MET 114 CO 0.14 -0.50 1.11 -2.14 -0.65 0.00 0.00 175.02 172.97 2wfm s PRO 115 N 1.51 1.82 -0.12 4.11 0.02 -1.26 -4.89 135.00 136.18 2wfm s PRO 115 Ca 0.02 1.25 0.01 0.00 0.02 0.00 0.00 61.00 62.31 2wfm s PRO 115 Cb -0.18 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.52 2wfm s PRO 115 CO 0.04 -1.98 -0.15 0.34 -0.33 0.00 0.00 177.00 174.92 2wfm s ASP 116 N -3.19 2.52 0.00 2.53 -1.08 -1.26 -5.01 116.67 111.17 2wfm s ASP 116 Ca 0.63 -0.45 0.11 0.00 -0.52 0.00 0.00 52.55 52.32 2wfm s ASP 116 Cb -0.19 -1.12 0.48 0.00 -1.46 0.00 0.00 42.92 40.63 2wfm s ASP 116 CO 0.57 -0.00 1.34 -0.81 0.52 0.00 0.00 175.17 176.79 2wfm n PRO 117 N 4.34 0.02 0.00 4.34 -0.04 -1.26 -2.37 135.00 140.03 2wfm n PRO 117 Ca -0.18 0.30 0.13 0.00 -0.04 0.00 0.00 63.50 63.70 2wfm n PRO 117 Cb 0.51 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.47 1.16 -4.24 3.54 3.02 -1.26 -4.61 115.26 111.40 2wfm n ASN 118 Ca 0.03 -1.04 -0.14 0.00 -0.03 0.00 0.00 54.58 53.40 2wfm n ASN 118 Cb 0.12 0.11 -0.10 0.00 -0.61 0.00 0.00 39.78 39.30 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 -2.38 1.20 1.13 3.10 3.76 -1.00 -5.14 115.29 115.96 2wfm s HIS 119 Ca 0.27 -0.78 -0.13 0.00 -0.15 0.00 0.00 55.06 54.27 2wfm s HIS 119 Cb 0.20 -0.62 0.25 0.00 1.11 0.00 0.00 32.58 33.52 2wfm s HIS 119 CO 0.48 0.04 0.95 -1.13 -0.85 0.00 0.00 174.74 174.23 2wfm n SER 120 N -0.17 -1.49 0.00 1.40 3.41 -1.26 -4.69 113.62 110.82 2wfm n SER 120 Ca -0.11 -0.07 0.12 0.00 -0.26 0.00 0.00 58.87 58.56 2wfm n SER 120 Cb 0.61 -1.27 0.63 0.00 -0.26 0.00 0.00 64.21 63.92 2wfm n SER 120 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wfm n LEU 121 N -4.55 0.00 -0.35 1.04 4.77 -1.26 -2.27 117.00 114.37 2wfm n LEU 121 Ca 0.04 0.31 0.12 0.00 -0.03 0.00 0.00 56.01 56.46 2wfm n LEU 121 Cb 0.54 -0.31 0.28 0.00 -2.33 0.00 0.00 43.42 41.60 2wfm n LEU 121 CO 0.55 -0.05 0.57 0.35 -1.33 0.00 0.00 177.39 177.49 2wfm n THR 122 N -1.31 0.00 -0.25 -5.08 -2.24 -1.26 -4.28 114.28 99.86 2wfm n THR 122 Ca 0.11 -0.18 -0.06 0.00 -2.27 0.00 0.00 64.05 61.65 2wfm n THR 122 Cb 0.21 0.67 0.08 0.00 -2.10 0.00 0.00 70.33 69.20 2wfm n THR 122 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2wfm h TYR 123 N 1.73 1.14 0.00 4.78 3.20 -1.81 -1.33 116.97 124.70 2wfm h TYR 123 Ca 0.00 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.76 2wfm h TYR 123 Cb 0.59 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2wfm h TYR 123 CO 0.00 0.90 0.00 -2.30 -1.64 0.00 0.00 178.16 175.12 2wfm n PRO 124 N -4.26 0.16 0.04 1.82 -0.02 -1.26 -1.94 135.00 129.53 2wfm n PRO 124 Ca 0.06 0.14 0.03 0.00 -2.02 0.00 0.00 63.50 61.71 2wfm n PRO 124 Cb 0.23 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.13 2wfm n PRO 124 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2wfm n PHE 125 N -1.19 0.86 -0.03 6.00 3.72 -0.50 -4.71 117.46 121.60 2wfm n PHE 125 Ca 0.04 0.28 -0.08 0.00 -0.05 0.00 0.00 57.45 57.64 2wfm n PHE 125 Cb 0.05 -1.01 -0.05 0.00 -0.94 0.00 0.00 39.48 37.53 2wfm n PHE 125 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2wfm h GLU 126 N 0.00 -0.27 -0.96 -1.08 5.08 -1.43 -1.49 114.58 114.44 2wfm h GLU 126 Ca -0.13 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.35 2wfm h GLU 126 Cb 1.43 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.67 2wfm h GLU 126 CO 0.03 -0.18 0.61 0.87 -1.00 0.00 0.00 179.01 179.34 2wfm h LYS 127 N -0.28 0.94 -0.15 2.33 6.56 -1.84 -1.37 116.57 122.76 2wfm h LYS 127 Ca 0.03 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.54 2wfm h LYS 127 Cb 0.36 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 31.80 2wfm h LYS 127 CO -0.27 0.62 0.02 -0.92 -2.06 0.00 0.00 179.45 176.84 2wfm h TYR 128 N 0.97 0.26 0.00 -1.35 3.20 -1.77 -2.53 116.97 115.75 2wfm h TYR 128 Ca 0.45 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.27 2wfm h TYR 128 Cb 0.41 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 2wfm h TYR 128 CO -0.00 0.44 -0.05 -0.91 -1.64 0.00 0.00 178.16 175.99 2wfm h ASN 129 N 0.02 0.00 0.73 -2.11 -0.26 -0.59 -2.03 115.58 111.33 2wfm h ASN 129 Ca 0.04 0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.53 2wfm h ASN 129 Cb 0.32 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.57 2wfm h ASN 129 CO 0.00 0.05 -1.24 -0.33 -1.06 0.00 0.00 177.43 174.86 2wfm h GLU 130 N 0.00 0.14 0.00 0.81 5.08 -0.97 -3.40 114.58 116.24 2wfm h GLU 130 Ca -0.00 -0.25 -0.34 0.00 -1.00 0.00 0.00 59.36 57.77 2wfm h GLU 130 Cb 0.41 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 2wfm h GLU 130 CO 0.01 1.06 -2.30 1.63 -1.00 0.00 0.00 179.01 178.41 2wfm n LYS 131 N -3.41 0.71 -2.86 2.33 4.76 -0.98 -4.97 118.16 113.74 2wfm n LYS 131 Ca -0.07 0.09 -0.40 0.00 -2.87 0.00 0.00 58.31 55.06 2wfm n LYS 131 Cb 1.00 -1.46 -0.05 0.00 -1.84 0.00 0.00 35.03 32.67 2wfm n LYS 131 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wfm s PRO 133 N -0.42 2.72 0.47 0.00 0.02 -1.26 -4.85 135.00 131.68 2wfm s PRO 133 Ca 0.41 0.81 0.26 0.00 0.02 0.00 0.00 61.00 62.50 2wfm s PRO 133 Cb -0.23 -1.98 1.29 0.00 0.02 0.00 0.00 34.50 33.61 2wfm s PRO 133 CO 0.27 -1.21 1.83 0.00 -0.33 0.00 0.00 177.00 177.56 2wfm h ALA 134 N -0.80 2.58 -0.00 -1.55 0.00 -1.96 -2.35 119.26 115.18 2wfm h ALA 134 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2wfm h ALA 134 Cb 1.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2wfm h ALA 134 CO 0.58 -0.90 -0.00 -0.40 0.00 0.00 0.00 179.25 178.53 2wfm n ASP 135 N -4.41 0.10 -0.31 0.00 5.68 -1.26 -4.28 116.55 112.06 2wfm n ASP 135 Ca 0.22 -0.88 0.00 0.00 -0.50 0.00 0.00 54.79 53.64 2wfm n ASP 135 Cb 0.94 -0.05 0.07 0.00 -1.14 0.00 0.00 41.12 40.94 2wfm n ASP 135 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 2wfm h MET 136 N 0.15 -0.03 -0.39 0.11 4.05 -1.78 -1.99 114.93 115.04 2wfm h MET 136 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2wfm h MET 136 Cb 0.08 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 2wfm h MET 136 CO 0.00 -0.02 0.00 -1.33 0.23 0.00 0.00 176.91 175.79 2wfm n MET 137 N -5.51 1.87 0.00 0.39 2.81 -1.26 -4.98 117.12 110.44 2wfm n MET 137 Ca 0.10 -1.16 0.00 0.00 -1.81 0.00 0.00 57.70 54.84 2wfm n MET 137 Cb 0.41 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.59 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 0.39 0.00 -1.15 4.03 4.32 -0.75 -1.48 117.00 122.36 2wfm n LEU 138 Ca 0.11 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.16 2wfm n LEU 138 Cb 0.32 0.00 0.25 0.00 -1.62 0.00 0.00 43.42 42.37 2wfm n LEU 138 CO 0.08 0.00 0.69 -0.90 -1.22 0.00 0.00 177.39 176.04 2wfm n ASP 139 N 9.66 3.34 -4.76 -1.43 5.75 -1.26 -4.92 116.55 122.92 2wfm n ASP 139 Ca 0.00 -2.26 -0.32 0.00 -0.01 0.00 0.00 54.79 52.21 2wfm n ASP 139 Cb 0.00 -0.46 0.08 0.00 -1.03 0.00 0.00 41.12 39.72 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 -0.81 4.58 -0.01 -1.12 0.01 -0.55 -4.30 113.70 111.49 2wfm s SER 140 Ca 0.35 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.50 2wfm s SER 140 Cb 0.22 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.93 2wfm s SER 140 CO 0.18 -1.99 -0.00 -1.10 0.41 0.00 0.00 173.24 170.75 2wfm s GLN 141 N -4.70 0.14 0.05 12.44 -0.21 -0.76 -4.85 119.66 121.77 2wfm s GLN 141 Ca 0.63 0.04 0.02 0.00 0.02 0.00 0.00 55.36 56.07 2wfm s GLN 141 Cb -0.18 -0.26 -0.04 0.00 1.00 0.00 0.00 33.01 33.53 2wfm s GLN 141 CO 0.53 -0.06 0.08 -0.06 -2.12 0.00 0.00 175.29 173.65 2wfm s PHE 142 N 0.53 3.22 0.15 0.91 0.08 -1.26 -1.46 117.98 120.14 2wfm s PHE 142 Ca -0.05 0.12 -0.16 0.00 0.12 0.00 0.00 56.93 56.96 2wfm s PHE 142 Cb -0.07 -1.66 0.03 0.00 -0.57 0.00 0.00 43.02 40.75 2wfm s PHE 142 CO -0.01 0.53 0.44 -1.54 -0.10 0.00 0.00 175.22 174.53 2wfm s SER 143 N -2.16 -0.24 0.58 1.36 1.04 -0.74 -4.97 113.70 108.58 2wfm s SER 143 Ca 0.27 -0.37 -0.13 0.00 0.48 0.00 0.00 55.95 56.20 2wfm s SER 143 Cb -0.12 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 2wfm s SER 143 CO 0.19 -0.91 1.00 0.42 0.98 0.00 0.00 173.24 174.92 2wfm s THR 144 N -3.83 4.65 0.26 2.02 -4.23 -1.26 -0.40 115.64 112.85 2wfm s THR 144 Ca 0.05 0.99 -0.20 0.00 -1.18 0.00 0.00 61.69 61.34 2wfm s THR 144 Cb 0.01 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 70.06 2wfm s THR 144 CO -0.09 -0.97 0.68 -0.72 -0.54 0.00 0.00 174.62 172.99 2wfm s TYR 145 N -2.96 -0.18 0.00 3.99 -0.85 0.41 -4.80 117.35 112.97 2wfm s TYR 145 Ca 0.56 -0.24 0.00 0.00 -0.52 0.00 0.00 57.07 56.87 2wfm s TYR 145 Cb -0.11 0.64 0.00 0.00 0.38 0.00 0.00 41.96 42.88 2wfm s TYR 145 CO 0.45 -1.17 0.00 0.41 -1.52 0.00 0.00 175.55 173.72 2wfm n GLY 146 N -0.44 -0.11 3.67 5.49 0.00 -1.26 0.48 105.19 113.02 2wfm n GLY 146 Ca -0.05 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 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 6.95 0.44 1.61 3.04 -1.26 -4.83 114.94 116.89 2wfm s ASN 147 Ca 0.00 1.84 0.21 0.00 0.04 0.00 0.00 52.86 54.95 2wfm s ASN 147 Cb 0.00 -2.55 1.03 0.00 -1.54 0.00 0.00 41.25 38.19 2wfm s ASN 147 CO 0.00 -0.70 1.91 1.55 -3.04 0.00 0.00 177.10 176.82 2wfm h PRO 148 N 7.95 0.00 -0.78 0.43 0.13 -1.97 1.25 132.00 139.02 2wfm h PRO 148 Ca -0.32 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.95 2wfm h PRO 148 Cb 1.14 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.18 2wfm h PRO 148 CO 0.92 0.25 0.34 0.93 -0.23 0.00 0.00 178.00 180.22 2wfm h GLU 149 N 0.00 0.48 -0.80 0.86 4.39 -2.00 -3.37 114.58 114.14 2wfm h GLU 149 Ca -0.00 -0.03 -0.33 0.00 0.34 0.00 0.00 59.36 59.34 2wfm h GLU 149 Cb 0.58 -0.11 -0.28 0.00 -0.10 0.00 0.00 28.75 28.84 2wfm h GLU 149 CO 0.03 0.32 -0.82 -1.71 -1.16 0.00 0.00 179.01 175.67 2wfm n ASN 150 N -4.96 -0.42 -4.81 1.42 2.85 0.05 -5.14 115.26 104.24 2wfm n ASN 150 Ca 0.15 -2.98 -0.32 0.00 -0.11 0.00 0.00 54.58 51.31 2wfm n ASN 150 Cb 0.42 0.41 0.01 0.00 1.24 0.00 0.00 39.78 41.86 2wfm n ASN 150 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2wfm s PRO 151 N -1.34 3.33 0.56 1.20 0.04 0.41 -4.41 135.00 134.79 2wfm s PRO 151 Ca 0.28 1.14 -0.01 0.00 0.04 0.00 0.00 61.00 62.46 2wfm s PRO 151 Cb 0.37 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.91 2wfm s PRO 151 CO -0.04 -0.79 0.81 0.20 0.04 0.00 0.00 177.00 177.21 2wfm s GLY 152 N -2.97 1.75 -0.16 0.56 0.00 1.73 -4.86 107.32 103.37 2wfm s GLY 152 Ca 0.62 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 44.16 2wfm s GLY 152 CO 0.39 -0.89 -0.10 -0.29 0.00 0.00 0.00 173.10 172.21 2wfm s MET 153 N -4.82 1.87 0.31 2.90 1.75 -1.26 -0.44 119.30 119.61 2wfm s MET 153 Ca 0.56 -0.55 0.04 0.00 -1.25 0.00 0.00 55.69 54.49 2wfm s MET 153 Cb -0.10 -2.04 -0.02 0.00 2.84 0.00 0.00 34.83 35.50 2wfm s MET 153 CO 0.40 -0.33 0.47 -1.54 -0.65 0.00 0.00 175.02 173.37 2wfm s SER 154 N 1.55 6.17 0.01 1.11 1.04 0.46 -4.37 113.70 119.68 2wfm s SER 154 Ca 0.03 0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.60 2wfm s SER 154 Cb -0.14 -1.72 -0.01 0.00 0.10 0.00 0.00 66.02 64.25 2wfm s SER 154 CO -0.09 -0.29 -0.04 0.00 0.98 0.00 0.00 173.24 173.80 2wfm s MET 155 N -4.18 0.31 -0.07 4.02 0.23 0.99 -1.78 119.30 118.82 2wfm s MET 155 Ca 0.40 -0.26 0.05 0.00 -1.03 0.00 0.00 55.69 54.84 2wfm s MET 155 Cb -0.09 -0.23 -0.01 0.00 -1.53 0.00 0.00 34.83 32.96 2wfm s MET 155 CO 0.32 0.06 -0.21 0.96 -2.03 0.00 0.00 175.02 174.12 2wfm s ILE 156 N -0.40 2.42 0.06 3.16 -4.36 -0.53 -0.81 121.20 120.74 2wfm s ILE 156 Ca -0.02 -0.93 -0.30 0.00 -0.26 0.00 0.00 60.65 59.14 2wfm s ILE 156 Cb -0.03 -1.92 -0.05 0.00 1.25 0.00 0.00 42.46 41.70 2wfm s ILE 156 CO -0.00 0.57 1.10 -0.76 0.24 0.00 0.00 174.94 176.09 2wfm s LEU 157 N -0.19 4.40 0.48 0.37 1.43 -1.26 -1.83 118.68 122.06 2wfm s LEU 157 Ca -0.02 1.91 -0.19 0.00 -1.03 0.00 0.00 54.13 54.80 2wfm s LEU 157 Cb -0.13 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.41 2wfm s LEU 157 CO 0.03 -0.34 0.99 -0.83 0.23 0.00 0.00 176.35 176.43 2wfm s GLY 158 N 0.79 2.31 0.38 -3.19 0.00 -1.26 -4.86 107.32 101.49 2wfm s GLY 158 Ca 0.54 0.39 0.08 0.00 0.00 0.00 0.00 44.72 45.73 2wfm s GLY 158 CO 0.30 0.68 1.92 -0.56 0.00 0.00 0.00 173.10 175.44 2wfm h PRO 159 N 1.47 0.36 -0.17 2.90 0.13 -1.96 -0.85 132.00 133.88 2wfm h PRO 159 Ca -0.48 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 64.52 2wfm h PRO 159 Cb 1.19 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2wfm h PRO 159 CO 0.60 0.42 -0.11 1.96 -0.23 0.00 0.00 178.00 180.65 2wfm h GLN 160 N 0.35 0.37 -0.67 0.86 1.08 -1.94 -0.16 115.11 114.99 2wfm h GLN 160 Ca 0.08 -0.18 0.10 0.00 -1.45 0.00 0.00 58.65 57.20 2wfm h GLN 160 Cb 0.30 -0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.65 2wfm h GLN 160 CO 0.01 0.71 0.29 0.35 -0.95 0.00 0.00 178.83 179.23 2wfm h PHE 161 N 0.04 0.50 -0.14 2.96 3.57 -1.76 0.33 116.94 122.44 2wfm h PHE 161 Ca 0.03 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 2wfm h PHE 161 Cb 0.61 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 2wfm h PHE 161 CO 0.07 0.14 -0.10 0.52 -2.23 0.00 0.00 178.31 176.70 2wfm h MET 162 N 0.48 0.31 -0.59 1.11 2.86 -1.09 0.28 114.93 118.30 2wfm h MET 162 Ca 0.34 -0.15 0.07 0.00 -2.06 0.00 0.00 59.70 57.90 2wfm h MET 162 Cb 0.43 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.03 2wfm h MET 162 CO -0.31 0.68 0.28 0.00 1.06 0.00 0.00 176.91 178.61 2wfm h ALA 163 N 0.62 0.76 0.00 6.32 0.00 -0.81 0.01 119.26 126.18 2wfm h ALA 163 Ca 0.03 0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 2wfm h ALA 163 Cb 0.61 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2wfm h ALA 163 CO 0.03 -0.09 -2.04 1.28 0.00 0.00 0.00 179.25 178.42 2wfm n LEU 164 N -4.90 0.26 -0.03 0.00 4.77 0.09 -3.22 117.00 113.97 2wfm n LEU 164 Ca 0.07 0.12 0.01 0.00 -0.03 0.00 0.00 56.01 56.17 2wfm n LEU 164 Cb 0.20 0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2wfm n LEU 164 CO 0.26 0.31 0.12 0.29 -1.33 0.00 0.00 177.39 177.05 2wfm n LYS 165 N -2.71 3.17 0.00 3.23 5.02 0.98 -4.56 118.16 123.30 2wfm n LYS 165 Ca -0.21 -0.27 0.00 0.00 -2.02 0.00 0.00 58.31 55.81 2wfm n LYS 165 Cb 0.96 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 35.19 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 -0.52 0.00 -0.52 1.97 2.81 -1.04 -2.59 117.12 117.23 2wfm n MET 166 Ca 0.01 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.94 2wfm n MET 166 Cb 0.03 -0.67 0.23 0.00 -0.71 0.00 0.00 33.22 32.10 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 -2.54 0.89 0.30 2.03 3.72 -0.04 -3.25 117.46 118.58 2wfm n PHE 167 Ca 0.00 -1.13 0.17 0.00 -0.05 0.00 0.00 57.45 56.44 2wfm n PHE 167 Cb 0.39 -0.36 0.78 0.00 -0.94 0.00 0.00 39.48 39.35 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 1.33 0.00 -0.20 -1.08 -0.00 -1.75 -1.40 115.11 112.01 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 1.47 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.95 2wfm h GLN 168 CO 0.25 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 179.17 2wfm n ASN 169 N -2.83 2.60 -4.95 0.06 3.02 -1.26 -4.98 115.26 106.91 2wfm n ASN 169 Ca -0.00 -1.76 -0.23 0.00 -0.03 0.00 0.00 54.58 52.56 2wfm n ASN 169 Cb 0.20 -0.12 0.02 0.00 -0.61 0.00 0.00 39.78 39.27 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 -4.27 4.51 0.55 0.00 1.04 -1.26 -4.90 113.70 109.36 2wfm s SER 171 Ca 0.51 1.97 0.28 0.00 0.48 0.00 0.00 55.95 59.19 2wfm s SER 171 Cb -0.10 -2.54 1.58 0.00 0.10 0.00 0.00 66.02 65.05 2wfm s SER 171 CO 0.39 -2.03 2.13 -0.37 0.98 0.00 0.00 173.24 174.34 2wfm h VAL 172 N -0.75 0.55 -0.12 5.02 -1.51 -1.99 -2.42 116.25 115.03 2wfm h VAL 172 Ca -0.45 -0.36 -0.01 0.00 -1.23 0.00 0.00 66.70 64.66 2wfm h VAL 172 Cb 1.25 1.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.63 2wfm h VAL 172 CO 0.51 0.08 0.05 -0.33 -1.23 0.00 0.00 177.57 176.65 2wfm h GLU 173 N 0.00 0.18 -0.64 5.19 3.07 -1.98 0.13 114.58 120.53 2wfm h GLU 173 Ca -0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2wfm h GLU 173 Cb 0.22 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 2wfm h GLU 173 CO 0.01 0.27 0.39 -0.44 -1.40 0.00 0.00 179.01 177.85 2wfm h ASP 174 N 0.04 0.76 -0.41 1.42 3.32 -1.82 0.12 116.42 119.86 2wfm h ASP 174 Ca 0.04 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.07 2wfm h ASP 174 Cb 0.16 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 2wfm h ASP 174 CO -0.00 0.58 0.21 0.25 -1.72 0.00 0.00 179.24 178.56 2wfm h LEU 175 N 0.86 0.32 -0.06 1.55 5.85 -1.38 -1.07 115.31 121.38 2wfm h LEU 175 Ca 0.23 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2wfm h LEU 175 Cb -0.04 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 2wfm h LEU 175 CO -0.04 0.23 0.04 -0.08 -0.34 0.00 0.00 178.44 178.24 2wfm h GLU 176 N 0.43 0.08 -0.54 1.25 4.57 -0.44 0.10 114.58 120.04 2wfm h GLU 176 Ca 0.17 -0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.45 2wfm h GLU 176 Cb 0.07 -0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 28.53 2wfm h GLU 176 CO -0.11 0.08 -0.26 1.25 -1.18 0.00 0.00 179.01 178.79 2wfm h LEU 177 N 0.06 -0.91 -0.49 1.64 5.85 -0.71 -1.91 115.31 118.84 2wfm h LEU 177 Ca 0.02 0.20 0.06 0.00 0.84 0.00 0.00 57.88 59.01 2wfm h LEU 177 Cb 0.02 0.48 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 2wfm h LEU 177 CO -0.00 -0.27 0.19 0.00 -0.34 0.00 0.00 178.44 178.01 2wfm h ALA 178 N 1.16 0.61 0.00 1.25 0.00 -0.75 -1.17 119.26 120.36 2wfm h ALA 178 Ca 0.24 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2wfm h ALA 178 Cb 0.51 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2wfm h ALA 178 CO -0.62 -0.19 -0.09 0.87 0.00 0.00 0.00 179.25 179.21 2wfm h LYS 179 N 0.38 0.00 0.00 0.00 1.57 -0.65 -0.42 116.57 117.44 2wfm h LYS 179 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2wfm h LYS 179 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2wfm h LYS 179 CO -0.22 0.09 -0.14 0.52 -0.57 0.00 0.00 179.45 179.13 2wfm h MET 180 N 0.00 0.00 0.00 3.15 2.86 -0.44 -3.39 114.93 117.11 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 0.21 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 2wfm h MET 180 CO 0.01 0.00 -1.01 1.28 1.06 0.00 0.00 176.91 178.25 2wfm n LEU 181 N -2.80 0.00 -4.76 1.22 4.77 -0.79 -5.04 117.00 109.60 2wfm n LEU 181 Ca 0.04 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 2wfm n LEU 181 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 2wfm n LEU 181 CO 0.34 0.00 1.05 0.28 -1.33 0.00 0.00 177.39 177.73 2wfm s THR 182 N -2.02 2.63 0.22 -5.08 -1.32 -0.22 -4.71 115.64 105.15 2wfm s THR 182 Ca -0.00 0.59 0.08 0.00 -1.21 0.00 0.00 61.69 61.14 2wfm s THR 182 Cb 0.00 -3.37 -0.05 0.00 -1.51 0.00 0.00 72.50 67.57 2wfm s THR 182 CO 0.01 0.12 -0.13 -0.13 -2.21 0.00 0.00 174.62 172.28 2wfm s ARG 183 N -1.21 1.39 0.42 7.08 0.52 -1.21 -5.03 118.95 120.90 2wfm s ARG 183 Ca 0.54 -1.63 -0.25 0.00 -0.52 0.00 0.00 55.73 53.87 2wfm s ARG 183 Cb -0.41 -1.16 -0.10 0.00 0.52 0.00 0.00 34.95 33.80 2wfm s ARG 183 CO 0.50 0.17 1.09 -2.30 0.02 0.00 0.00 175.30 174.78 2wfm n PRO 184 N -0.43 1.52 -3.81 3.54 -0.02 -1.26 -4.45 135.00 130.09 2wfm n PRO 184 Ca -0.07 0.54 -0.18 0.00 -2.02 0.00 0.00 63.50 61.77 2wfm n PRO 184 Cb 0.61 -2.14 -0.06 0.00 -0.02 0.00 0.00 33.50 31.89 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 1.07 3.33 3.30 -1.23 0.00 0.01 -4.75 105.19 106.92 2wfm n GLY 185 Ca 0.09 -1.98 -0.14 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.89 -0.29 0.00 1.61 0.15 -1.26 -0.00 113.70 111.02 2wfm s SER 186 Ca 0.22 0.19 0.25 0.00 0.70 0.00 0.00 55.95 57.30 2wfm s SER 186 Cb 0.01 0.37 0.54 0.00 -1.71 0.00 0.00 66.02 65.23 2wfm s SER 186 CO 0.15 -0.51 1.46 0.18 1.20 0.00 0.00 173.24 175.72 2wfm n LEU 187 N 1.10 2.47 -4.19 3.45 4.77 -1.26 -4.96 117.00 118.37 2wfm n LEU 187 Ca -0.21 -0.88 -0.36 0.00 -0.03 0.00 0.00 56.01 54.53 2wfm n LEU 187 Cb 0.57 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 2wfm n LEU 187 CO 0.22 0.44 -0.06 0.49 -1.33 0.00 0.00 177.39 177.15 2wfm n PHE 188 N 0.90 -1.60 -0.24 -1.77 3.72 -1.26 -4.87 117.46 112.35 2wfm n PHE 188 Ca 0.16 0.72 0.04 0.00 -0.05 0.00 0.00 57.45 58.33 2wfm n PHE 188 Cb 0.50 -2.58 0.17 0.00 -0.94 0.00 0.00 39.48 36.62 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 -1.24 0.35 -0.15 1.38 3.57 -1.94 -0.08 116.94 118.83 2wfm h PHE 189 Ca -0.56 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 60.84 2wfm h PHE 189 Cb 1.37 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.06 2wfm h PHE 189 CO 0.67 -0.02 -0.42 -0.56 -2.23 0.00 0.00 178.31 175.75 2wfm h GLN 190 N 0.33 0.56 -0.28 1.11 -0.00 -1.92 0.27 115.11 115.18 2wfm h GLN 190 Ca 0.39 -0.39 0.01 0.00 -0.00 0.00 0.00 58.65 58.66 2wfm h GLN 190 Cb 0.62 0.06 -0.02 0.00 -0.00 0.00 0.00 27.48 28.15 2wfm h GLN 190 CO -0.44 1.01 0.17 0.22 -0.00 0.00 0.00 178.83 179.79 2wfm h ASP 191 N 0.20 0.28 -0.00 0.06 3.58 -1.77 -2.85 116.42 115.92 2wfm h ASP 191 Ca -0.01 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 2wfm h ASP 191 Cb 1.04 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 2wfm h ASP 191 CO 0.09 0.21 -0.10 -0.07 -2.88 0.00 0.00 179.24 176.49 2wfm h LEU 192 N 0.35 0.22 -1.66 2.28 3.38 -0.64 -0.33 115.31 118.90 2wfm h LEU 192 Ca 0.11 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.17 2wfm h LEU 192 Cb -0.02 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2wfm h LEU 192 CO -0.04 0.36 0.44 0.00 0.09 0.00 0.00 178.44 179.29 2wfm h ALA 193 N 1.67 2.13 -0.00 1.53 0.00 -0.25 -2.81 119.26 121.53 2wfm h ALA 193 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wfm h ALA 193 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wfm h ALA 193 CO 0.02 -0.30 -0.87 1.63 0.00 0.00 0.00 179.25 179.73 2wfm n LYS 194 N -4.46 0.12 -2.08 0.00 5.02 -0.20 -4.97 118.16 111.59 2wfm n LYS 194 Ca 0.12 -0.10 -0.35 0.00 -2.02 0.00 0.00 58.31 55.96 2wfm n LYS 194 Cb 0.48 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.01 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 -2.95 2.60 0.35 7.82 0.00 -0.83 -5.00 121.76 123.76 2wfm s ALA 195 Ca 0.10 0.79 -0.28 0.00 0.00 0.00 0.00 51.96 52.56 2wfm s ALA 195 Cb 0.16 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 2wfm s ALA 195 CO 0.81 -0.98 1.34 0.15 0.00 0.00 0.00 175.76 177.09 2wfm s LYS 196 N -3.50 4.25 0.70 0.00 1.02 -1.26 -4.80 119.74 116.15 2wfm s LYS 196 Ca 0.72 2.28 -0.11 0.00 0.02 0.00 0.00 55.97 58.88 2wfm s LYS 196 Cb -0.24 -3.00 0.01 0.00 -0.52 0.00 0.00 37.83 34.08 2wfm s LYS 196 CO 0.32 -0.31 1.08 -1.59 -0.92 0.00 0.00 175.35 173.94 2wfm s LYS 197 N -1.92 2.91 0.85 1.68 -2.85 -1.26 -4.90 119.74 114.25 2wfm s LYS 197 Ca 0.51 0.55 -0.11 0.00 -1.00 0.00 0.00 55.97 55.92 2wfm s LYS 197 Cb -0.41 -2.02 0.10 0.00 -2.06 0.00 0.00 37.83 33.44 2wfm s LYS 197 CO 0.55 -1.02 1.09 -0.06 0.10 0.00 0.00 175.35 176.01 2wfm s PHE 198 N -3.29 2.42 0.24 1.78 0.08 -1.26 -5.06 117.98 112.89 2wfm s PHE 198 Ca 0.58 1.37 0.12 0.00 0.12 0.00 0.00 56.93 59.11 2wfm s PHE 198 Cb -0.11 -3.12 -0.05 0.00 -0.57 0.00 0.00 43.02 39.17 2wfm s PHE 198 CO 0.53 -2.17 -0.21 -1.54 -0.10 0.00 0.00 175.22 171.73 2wfm s SER 199 N -3.41 3.47 0.27 1.36 1.04 -1.26 -4.61 113.70 110.57 2wfm s SER 199 Ca 0.63 -0.97 0.08 0.00 0.48 0.00 0.00 55.95 56.17 2wfm s SER 199 Cb -0.18 -0.27 0.38 0.00 0.10 0.00 0.00 66.02 66.04 2wfm s SER 199 CO 0.57 0.06 1.63 0.71 0.98 0.00 0.00 173.24 177.19 2wfm h THR 200 N 2.63 1.39 -0.16 2.02 1.35 -1.94 -1.47 112.91 116.73 2wfm h THR 200 Ca -0.42 -1.89 -0.00 0.00 -0.55 0.00 0.00 66.41 63.54 2wfm h THR 200 Cb 1.24 1.98 -0.01 0.00 -1.73 0.00 0.00 68.15 69.63 2wfm h THR 200 CO 0.56 0.55 0.09 -0.33 -0.25 0.00 0.00 175.52 176.14 2wfm h GLU 201 N 0.09 0.23 0.00 4.72 3.07 -1.95 -2.81 114.58 117.92 2wfm h GLU 201 Ca -0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2wfm h GLU 201 Cb 1.01 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 2wfm h GLU 201 CO 0.08 0.23 0.00 0.54 -1.40 0.00 0.00 179.01 178.46 2wfm n ARG 202 N -4.92 0.00 -0.20 2.33 1.74 -1.22 -4.13 116.66 110.27 2wfm n ARG 202 Ca -0.04 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.05 2wfm n ARG 202 Cb 0.07 -0.09 0.10 0.00 -1.02 0.00 0.00 32.46 31.52 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 0.02 0.00 -1.55 3.20 -1.52 -0.72 116.97 116.40 2wfm h TYR 203 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2wfm h TYR 203 Cb 0.00 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2wfm h TYR 203 CO 0.00 -0.13 0.00 0.41 -1.64 0.00 0.00 178.16 176.80 2wfm n GLY 204 N -1.35 -0.80 0.01 1.82 0.00 -0.59 -2.38 105.19 101.91 2wfm n GLY 204 Ca 0.09 -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 -1.13 0.60 -4.78 1.61 3.41 -0.28 -4.90 113.62 108.15 2wfm n SER 205 Ca 0.13 -0.31 -0.39 0.00 -0.26 0.00 0.00 58.87 58.03 2wfm n SER 205 Cb 0.11 0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 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 -3.04 4.65 0.26 -3.33 1.01 -1.00 -5.02 120.40 113.93 2wfm s VAL 206 Ca 0.09 1.46 -0.30 0.00 0.00 0.00 0.00 61.98 63.24 2wfm s VAL 206 Cb 0.17 -4.02 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 2wfm s VAL 206 CO 0.74 0.48 1.35 -0.75 0.00 0.00 0.00 175.10 176.92 2wfm s LYS 207 N -0.75 4.34 0.07 2.72 2.20 -1.26 -4.89 119.74 122.17 2wfm s LYS 207 Ca 0.33 2.20 0.07 0.00 -0.36 0.00 0.00 55.97 58.21 2wfm s LYS 207 Cb -0.21 -3.12 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 2wfm s LYS 207 CO 0.22 -0.28 -0.15 1.03 -0.36 0.00 0.00 175.35 175.80 2wfm s ARG 208 N -0.79 2.05 0.08 4.03 0.52 -1.26 -0.87 118.95 122.70 2wfm s ARG 208 Ca 0.55 -1.02 0.03 0.00 -0.52 0.00 0.00 55.73 54.77 2wfm s ARG 208 Cb -0.39 -2.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.82 2wfm s ARG 208 CO 0.45 0.52 -0.10 0.00 0.02 0.00 0.00 175.30 176.19 2wfm s ALA 209 N -1.05 0.99 -0.03 2.13 0.00 -0.18 -0.11 121.76 123.50 2wfm s ALA 209 Ca 0.17 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 51.11 2wfm s ALA 209 Cb -0.11 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2wfm s ALA 209 CO 0.08 -0.01 -0.19 -0.47 0.00 0.00 0.00 175.76 175.17 2wfm s TYR 210 N -2.09 1.73 -0.20 0.00 5.04 0.12 -0.89 117.35 121.06 2wfm s TYR 210 Ca 0.01 -0.40 -0.02 0.00 -2.44 0.00 0.00 57.07 54.23 2wfm s TYR 210 Cb -0.05 -1.13 0.00 0.00 0.35 0.00 0.00 41.96 41.13 2wfm s TYR 210 CO 0.00 -0.08 -0.11 0.42 -1.34 0.00 0.00 175.55 174.44 2wfm s ILE 211 N -0.26 2.84 0.28 3.14 1.01 -0.22 -0.71 121.20 127.28 2wfm s ILE 211 Ca 0.03 -0.67 -0.29 0.00 0.00 0.00 0.00 60.65 59.71 2wfm s ILE 211 Cb -0.09 -2.26 -0.09 0.00 0.01 0.00 0.00 42.46 40.02 2wfm s ILE 211 CO 0.00 0.47 1.07 -0.36 0.00 0.00 0.00 174.94 176.13 2wfm s PHE 212 N 1.39 3.63 -0.41 3.97 0.08 0.11 -1.41 117.98 125.35 2wfm s PHE 212 Ca 0.05 1.73 -0.01 0.00 0.12 0.00 0.00 56.93 58.83 2wfm s PHE 212 Cb -0.14 -3.23 0.11 0.00 -0.57 0.00 0.00 43.02 39.19 2wfm s PHE 212 CO -0.07 -0.39 0.18 0.00 -0.10 0.00 0.00 175.22 174.84 2wfm h ASN 214 N 7.82 0.00 -0.24 0.00 4.21 -1.43 -2.73 115.58 123.20 2wfm h ASN 214 Ca -0.10 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.34 2wfm h ASN 214 Cb 1.03 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.19 2wfm h ASN 214 CO 0.65 0.03 -0.06 -0.62 -1.29 0.00 0.00 177.43 176.15 2wfm n GLU 215 N -3.25 2.17 -2.25 0.81 1.02 -0.39 -4.65 120.64 114.10 2wfm n GLU 215 Ca -0.02 -2.96 -0.43 0.00 -0.02 0.00 0.00 57.16 53.74 2wfm n GLU 215 Cb 0.19 -1.77 -0.02 0.00 -0.02 0.00 0.00 31.44 29.82 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 -2.39 6.50 0.00 1.62 -1.08 -1.03 -4.45 116.67 115.84 2wfm s ASP 216 Ca 0.41 1.42 0.25 0.00 -0.52 0.00 0.00 52.55 54.11 2wfm s ASP 216 Cb 0.36 -2.54 0.39 0.00 -1.46 0.00 0.00 42.92 39.67 2wfm s ASP 216 CO 0.04 -1.19 1.34 0.29 0.52 0.00 0.00 175.17 176.17 2wfm n LYS 217 N 7.53 1.21 -0.01 4.34 5.02 -1.25 -3.24 118.16 131.76 2wfm n LYS 217 Ca 0.17 -0.89 0.09 0.00 -2.02 0.00 0.00 58.31 55.66 2wfm n LYS 217 Cb 0.46 -1.48 -0.16 0.00 -0.02 0.00 0.00 35.03 33.83 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 -0.12 0.06 -3.32 4.39 3.41 -1.07 -4.64 113.62 112.34 2wfm n SER 218 Ca 0.12 0.02 -0.24 0.00 -0.26 0.00 0.00 58.87 58.51 2wfm n SER 218 Cb 0.43 1.82 -0.09 0.00 -0.26 0.00 0.00 64.21 66.11 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 -3.43 0.73 0.66 7.33 5.36 -1.25 -5.13 117.98 122.25 2wfm s PHE 219 Ca -0.08 -2.07 -0.17 0.00 -0.96 0.00 0.00 56.93 53.65 2wfm s PHE 219 Cb 0.13 -0.76 -0.06 0.00 -0.34 0.00 0.00 43.02 41.99 2wfm s PHE 219 CO 0.90 -0.88 0.51 -2.30 -1.46 0.00 0.00 175.22 171.98 2wfm n PRO 220 N 2.92 0.39 -0.09 10.12 -0.02 -1.20 -4.72 135.00 142.40 2wfm n PRO 220 Ca 0.28 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2wfm n PRO 220 Cb 0.48 -1.76 0.28 0.00 -0.02 0.00 0.00 33.50 32.49 2wfm n PRO 220 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2wfm h VAL 221 N -0.12 1.18 0.00 -1.45 -1.51 -1.83 -1.76 116.25 110.77 2wfm h VAL 221 Ca -0.45 -0.56 -0.00 0.00 -1.23 0.00 0.00 66.70 64.45 2wfm h VAL 221 Cb 1.37 0.57 -0.00 0.00 -2.13 0.00 0.00 31.29 31.10 2wfm h VAL 221 CO 0.44 0.22 -0.02 1.05 -1.23 0.00 0.00 177.57 178.04 2wfm h GLU 222 N 0.72 0.00 -0.31 5.19 9.09 -1.97 0.23 114.58 127.53 2wfm h GLU 222 Ca 0.18 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.48 2wfm h GLU 222 Cb 0.13 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.22 2wfm h GLU 222 CO -0.02 0.02 -0.20 0.74 0.05 0.00 0.00 179.01 179.60 2wfm h PHE 223 N 0.00 0.80 -0.85 2.06 0.04 -1.65 -2.40 116.94 114.93 2wfm h PHE 223 Ca -0.00 -0.21 -0.02 0.00 2.80 0.00 0.00 57.97 60.53 2wfm h PHE 223 Cb 0.40 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.33 2wfm h PHE 223 CO 0.00 0.93 0.43 1.96 -0.60 0.00 0.00 178.31 181.03 2wfm h GLN 224 N 0.45 1.21 -0.54 1.51 4.20 -0.94 -2.63 115.11 118.36 2wfm h GLN 224 Ca 0.06 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 2wfm h GLN 224 Cb 0.74 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 2wfm h GLN 224 CO 0.06 0.91 -0.03 0.87 -0.67 0.00 0.00 178.83 179.96 2wfm h LYS 225 N 1.20 0.94 -1.00 1.46 1.57 -0.71 -1.66 116.57 118.38 2wfm h LYS 225 Ca 0.30 -0.29 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2wfm h LYS 225 Cb 0.08 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.23 2wfm h LYS 225 CO -0.04 0.95 0.64 2.35 -0.57 0.00 0.00 179.45 182.78 2wfm h TRP 226 N 0.86 1.18 -0.32 -1.35 7.01 -1.18 0.13 115.95 122.27 2wfm h TRP 226 Ca 0.15 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.17 2wfm h TRP 226 Cb 0.55 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 27.21 2wfm h TRP 226 CO 0.03 0.58 0.13 0.74 -2.79 0.00 0.00 178.44 177.14 2wfm h PHE 227 N 1.12 0.47 -0.55 2.65 0.04 -0.97 0.10 116.94 119.81 2wfm h PHE 227 Ca 0.44 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 61.09 2wfm h PHE 227 Cb 0.24 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 2wfm h PHE 227 CO -0.00 0.45 -0.02 0.28 -0.60 0.00 0.00 178.31 178.41 2wfm h VAL 228 N 0.36 1.26 -0.03 -0.55 2.07 -0.86 0.11 116.25 118.61 2wfm h VAL 228 Ca 0.11 -1.14 -0.19 0.00 0.82 0.00 0.00 66.70 66.29 2wfm h VAL 228 Cb 0.17 0.86 0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2wfm h VAL 228 CO -0.01 0.41 -0.74 -0.33 0.02 0.00 0.00 177.57 176.92 2wfm h GLU 229 N 0.88 0.56 0.00 1.57 5.08 -0.68 -2.11 114.58 119.88 2wfm h GLU 229 Ca 0.16 -0.56 -0.27 0.00 -1.00 0.00 0.00 59.36 57.69 2wfm h GLU 229 Cb 0.55 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 2wfm h GLU 229 CO 0.03 1.18 -2.10 -1.13 -1.00 0.00 0.00 179.01 175.99 2wfm n SER 230 N -4.08 0.23 -0.13 1.42 3.41 0.01 -4.54 113.62 109.94 2wfm n SER 230 Ca -0.10 0.11 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 2wfm n SER 230 Cb 0.73 0.92 -0.11 0.00 -0.26 0.00 0.00 64.21 65.49 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 -2.72 1.51 0.00 -3.33 0.31 0.19 -5.06 118.33 109.23 2wfm n VAL 231 Ca -0.23 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.60 2wfm n VAL 231 Cb 1.00 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 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 1.88 -0.35 3.14 2.92 0.00 -0.06 -5.00 105.19 107.72 2wfm n GLY 232 Ca -0.49 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 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 -3.02 0.82 0.07 4.61 0.00 -1.26 -4.87 121.76 118.11 2wfm s ALA 233 Ca 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 51.96 50.50 2wfm s ALA 233 Cb 0.00 0.76 -0.27 0.00 0.00 0.00 0.00 23.12 23.61 2wfm s ALA 233 CO 0.00 -0.46 1.12 0.22 0.00 0.00 0.00 175.76 176.64 2wfm h ASP 234 N 2.91 0.36 -3.68 0.00 1.82 -0.89 -3.47 116.42 113.47 2wfm h ASP 234 Ca -0.35 -0.40 -0.24 0.00 -0.39 0.00 0.00 57.03 55.65 2wfm h ASP 234 Cb 1.19 -0.12 -0.29 0.00 0.68 0.00 0.00 39.33 40.79 2wfm h ASP 234 CO 0.60 1.32 -0.70 -0.54 -1.61 0.00 0.00 179.24 178.31 2wfm s LYS 235 N -2.66 0.01 -0.02 0.28 1.02 -1.18 -5.04 119.74 112.16 2wfm s LYS 235 Ca -0.04 0.07 0.02 0.00 0.02 0.00 0.00 55.97 56.04 2wfm s LYS 235 Cb 0.07 -0.05 -0.00 0.00 -0.52 0.00 0.00 37.83 37.33 2wfm s LYS 235 CO 0.87 -0.04 -0.08 0.14 -0.92 0.00 0.00 175.35 175.32 2wfm s VAL 236 N 0.26 0.69 0.29 3.17 -7.23 -1.26 -0.70 120.40 115.62 2wfm s VAL 236 Ca -0.02 -0.34 0.08 0.00 -1.81 0.00 0.00 61.98 59.89 2wfm s VAL 236 Cb -0.03 -0.61 -0.06 0.00 0.56 0.00 0.00 36.38 36.25 2wfm s VAL 236 CO -0.01 0.21 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.35 2wfm s LYS 237 N 0.03 1.61 0.00 4.82 1.02 0.11 -4.97 119.74 122.37 2wfm s LYS 237 Ca -0.00 -1.80 0.01 0.00 0.02 0.00 0.00 55.97 54.20 2wfm s LYS 237 Cb -0.06 -1.39 -0.00 0.00 -0.52 0.00 0.00 37.83 35.86 2wfm s LYS 237 CO -0.00 0.13 -0.03 -1.83 -0.92 0.00 0.00 175.35 172.70 2wfm s GLU 238 N -3.65 0.21 -0.28 1.68 -1.05 -1.26 0.06 118.70 114.41 2wfm s GLU 238 Ca 0.29 -0.13 -0.03 0.00 -0.15 0.00 0.00 54.97 54.95 2wfm s GLU 238 Cb 0.02 -0.18 0.03 0.00 -0.44 0.00 0.00 34.13 33.55 2wfm s GLU 238 CO 0.13 0.05 0.00 0.42 0.95 0.00 0.00 175.26 176.81 2wfm s ILE 239 N -0.16 3.25 0.33 1.83 1.01 -0.04 -4.91 121.20 122.50 2wfm s ILE 239 Ca -0.00 -1.03 0.05 0.00 0.00 0.00 0.00 60.65 59.67 2wfm s ILE 239 Cb -0.02 -2.72 0.12 0.00 0.01 0.00 0.00 42.46 39.86 2wfm s ILE 239 CO -0.00 0.07 1.83 0.11 0.00 0.00 0.00 174.94 176.95 2wfm h LYS 240 N 8.08 0.43 -0.17 2.79 1.57 -1.97 -2.07 116.57 125.23 2wfm h LYS 240 Ca -0.29 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2wfm h LYS 240 Cb 1.10 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2wfm h LYS 240 CO 0.57 0.56 0.00 0.39 -0.57 0.00 0.00 179.45 180.40 2wfm n GLU 241 N -4.22 2.64 -2.51 3.15 1.02 -1.26 -4.02 120.64 115.45 2wfm n GLU 241 Ca 0.00 -2.17 -0.41 0.00 -0.02 0.00 0.00 57.16 54.56 2wfm n GLU 241 Cb 0.31 -1.36 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 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 -1.74 3.35 0.71 0.62 0.00 -1.20 -4.83 121.76 118.67 2wfm s ALA 242 Ca 0.22 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2wfm s ALA 242 Cb 0.16 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2wfm s ALA 242 CO 0.08 -0.29 0.00 -0.40 0.00 0.00 0.00 175.76 175.14 2wfm n ASP 243 N 3.15 0.00 0.28 0.00 5.68 -1.26 -1.26 116.55 123.14 2wfm n ASP 243 Ca 0.05 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.48 2wfm n ASP 243 Cb 0.47 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.26 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 -1.71 1.49 -1.83 2.12 0.00 -1.78 -3.19 119.26 114.37 2wfm h ALA 244 Ca 0.00 -0.04 -0.71 0.00 0.00 0.00 0.00 54.91 54.16 2wfm h ALA 244 Cb 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 17.79 17.44 2wfm h ALA 244 CO 0.00 0.06 0.22 -1.33 0.00 0.00 0.00 179.25 178.20 2wfm n MET 245 N -3.86 4.18 0.12 0.00 2.81 -1.20 -4.87 117.12 114.29 2wfm n MET 245 Ca -0.03 -4.72 0.06 0.00 -1.81 0.00 0.00 57.70 51.20 2wfm n MET 245 Cb 0.14 -2.37 0.53 0.00 -0.71 0.00 0.00 33.22 30.81 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 3.98 0.31 1.57 3.03 0.00 -1.91 0.43 103.07 110.48 2wfm h GLY 246 Ca 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2wfm h GLY 246 CO 1.04 0.11 0.00 1.15 0.00 0.00 0.00 176.54 178.84 2wfm n MET 247 N -4.50 0.24 0.00 4.80 0.00 -1.26 0.12 117.12 116.51 2wfm n MET 247 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 57.70 57.83 2wfm n MET 247 Cb 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.80 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 -1.28 0.53 0.03 3.17 4.77 -0.03 -4.16 117.00 120.02 2wfm n LEU 248 Ca 0.08 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.02 2wfm n LEU 248 Cb 0.13 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.13 2wfm n LEU 248 CO 0.13 0.09 -0.20 0.77 -1.33 0.00 0.00 177.39 176.84 2wfm h SER 249 N 0.00 0.00 -0.93 -1.43 4.64 -0.95 -3.42 113.55 111.46 2wfm h SER 249 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 2wfm h SER 249 Cb 0.96 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.68 2wfm h SER 249 CO 0.00 0.77 -1.11 0.00 -0.87 0.00 0.00 176.83 175.62 2wfm n GLN 250 N -3.05 1.14 -0.06 4.77 1.13 0.33 -4.94 117.38 116.70 2wfm n GLN 250 Ca -0.09 -3.11 0.09 0.00 -1.94 0.00 0.00 57.00 51.95 2wfm n GLN 250 Cb 0.91 -1.14 0.46 0.00 0.11 0.00 0.00 30.24 30.59 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 2.90 0.47 -0.27 -1.09 0.13 -1.69 -1.50 132.00 130.94 2wfm h PRO 251 Ca -0.11 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 64.84 2wfm h PRO 251 Cb 1.18 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2wfm h PRO 251 CO 0.44 0.31 -0.45 0.00 -0.23 0.00 0.00 178.00 178.07 2wfm h ARG 252 N 0.48 0.70 -0.38 0.86 3.08 -1.92 0.12 114.38 117.31 2wfm h ARG 252 Ca 0.23 -0.39 -0.14 0.00 0.07 0.00 0.00 59.98 59.76 2wfm h ARG 252 Cb 0.30 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2wfm h ARG 252 CO -0.06 1.00 -0.31 0.93 -1.07 0.00 0.00 179.97 180.46 2wfm h GLU 253 N 0.56 0.83 -0.37 0.04 4.39 -1.76 0.65 114.58 118.92 2wfm h GLU 253 Ca 0.04 -0.39 -0.01 0.00 0.34 0.00 0.00 59.36 59.33 2wfm h GLU 253 Cb 1.00 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 2wfm h GLU 253 CO 0.09 1.03 0.19 0.28 -1.16 0.00 0.00 179.01 179.44 2wfm h VAL 254 N 0.70 1.16 -0.18 3.13 2.07 -1.07 -0.26 116.25 121.79 2wfm h VAL 254 Ca 0.08 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.19 2wfm h VAL 254 Cb 0.87 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2wfm h VAL 254 CO 0.08 0.16 0.05 0.00 0.02 0.00 0.00 177.57 177.88 2wfm h LYS 256 N 0.13 0.18 -0.31 0.00 1.79 -0.66 -0.58 116.57 117.12 2wfm h LYS 256 Ca 0.08 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.55 2wfm h LYS 256 Cb 0.05 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 2wfm h LYS 256 CO -0.09 0.12 0.17 0.00 -1.08 0.00 0.00 179.45 178.57 2wfm h LEU 258 N 0.35 0.75 -0.50 0.00 5.85 -0.66 -0.17 115.31 120.94 2wfm h LEU 258 Ca 0.12 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 2wfm h LEU 258 Cb 0.01 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2wfm h LEU 258 CO -0.07 0.53 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.29 2wfm h LEU 259 N 0.89 1.04 -0.12 2.25 3.38 -0.93 -1.92 115.31 119.89 2wfm h LEU 259 Ca 0.27 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2wfm h LEU 259 Cb -0.03 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2wfm h LEU 259 CO -0.09 1.19 0.04 0.44 0.09 0.00 0.00 178.44 180.11 2wfm h ASP 260 N 0.87 0.18 -0.74 -0.43 3.32 -1.07 -2.01 116.42 116.54 2wfm h ASP 260 Ca 0.12 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 57.00 2wfm h ASP 260 Cb 0.78 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.25 2wfm h ASP 260 CO 0.07 0.33 0.49 0.40 -1.72 0.00 0.00 179.24 178.80 2wfm h ILE 261 N 0.01 1.10 0.00 0.35 2.04 -0.96 -3.22 117.51 116.83 2wfm h ILE 261 Ca 0.04 -0.30 -0.27 0.00 1.00 0.00 0.00 64.86 65.32 2wfm h ILE 261 Cb 0.22 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.39 2wfm h ILE 261 CO -0.00 0.16 -1.52 0.77 0.00 0.00 0.00 178.15 177.56 2wfm h SER 262 N 0.88 0.01 0.00 1.72 4.64 -1.28 -3.51 113.55 116.02 2wfm h SER 262 Ca 0.30 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2wfm h SER 262 Cb 0.08 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2wfm h SER 262 CO -0.09 1.02 0.00 -0.90 -0.87 0.00 0.00 176.83 175.99