#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 4.40 0.15 3.69 0.74 -1.26 -5.03 119.66 122.34 2wfm s GLN 10 Ca 0.00 1.91 0.06 0.00 0.05 0.00 0.00 55.36 57.38 2wfm s GLN 10 Cb 0.00 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 2wfm s GLN 10 CO 0.00 -0.30 0.04 0.15 -0.55 0.00 0.00 175.29 174.63 2wfm s LYS 11 N 0.86 2.59 -0.37 1.67 -0.14 -1.26 -4.96 119.74 118.13 2wfm s LYS 11 Ca 0.60 -0.96 -0.05 0.00 -1.36 0.00 0.00 55.97 54.20 2wfm s LYS 11 Cb -0.33 -2.49 0.07 0.00 -1.68 0.00 0.00 37.83 33.40 2wfm s LYS 11 CO 0.31 0.49 0.14 -1.58 -0.76 0.00 0.00 175.35 173.95 2wfm s HIS 12 N -1.61 3.37 -0.15 3.18 5.65 -1.26 -0.93 115.29 123.54 2wfm s HIS 12 Ca 0.28 -1.82 -0.17 0.00 0.25 0.00 0.00 55.06 53.60 2wfm s HIS 12 Cb -0.10 -2.65 -0.04 0.00 -1.18 0.00 0.00 32.58 28.61 2wfm s HIS 12 CO 0.20 -0.84 0.44 -0.06 -0.65 0.00 0.00 174.74 173.83 2wfm s PHE 13 N 1.30 3.47 -0.27 3.88 0.08 0.72 -0.97 117.98 126.19 2wfm s PHE 13 Ca 0.01 0.79 -0.05 0.00 0.12 0.00 0.00 56.93 57.81 2wfm s PHE 13 Cb -0.21 -2.53 0.01 0.00 -0.57 0.00 0.00 43.02 39.72 2wfm s PHE 13 CO -0.00 0.12 0.02 0.08 -0.10 0.00 0.00 175.22 175.34 2wfm s VAL 14 N 0.82 3.57 -0.19 -0.44 1.01 0.17 -0.09 120.40 125.24 2wfm s VAL 14 Ca 0.23 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 2wfm s VAL 14 Cb -0.15 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 2wfm s VAL 14 CO 0.09 0.16 0.13 -0.76 0.00 0.00 0.00 175.10 174.72 2wfm s LEU 15 N 1.44 4.22 -0.15 3.92 1.43 0.25 -1.24 118.68 128.56 2wfm s LEU 15 Ca 0.02 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2wfm s LEU 15 Cb -0.17 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 43.99 2wfm s LEU 15 CO -0.00 0.19 -0.12 -0.69 0.23 0.00 0.00 176.35 175.96 2wfm s VAL 16 N 0.28 1.45 0.58 -1.59 1.01 0.59 -2.36 120.40 120.37 2wfm s VAL 16 Ca 0.08 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 2wfm s VAL 16 Cb -0.11 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 2wfm s VAL 16 CO -0.02 0.36 0.94 -1.38 0.00 0.00 0.00 175.10 175.01 2wfm s HIS 17 N 1.52 3.50 0.00 5.22 -3.43 -1.26 -2.36 115.29 118.48 2wfm s HIS 17 Ca 0.04 0.99 0.00 0.00 -0.80 0.00 0.00 55.06 55.29 2wfm s HIS 17 Cb -0.14 -2.64 0.00 0.00 -1.43 0.00 0.00 32.58 28.37 2wfm s HIS 17 CO -0.10 -0.66 0.00 0.41 -2.00 0.00 0.00 174.74 172.40 2wfm n GLY 18 N -2.61 -0.30 3.75 -1.38 0.00 -1.23 -3.66 105.19 99.76 2wfm n GLY 18 Ca 0.04 -1.74 -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 -1.71 2.73 0.00 -0.02 0.00 -1.26 -3.26 107.32 103.81 2wfm s GLY 19 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 44.72 45.80 2wfm s GLY 19 CO 0.00 1.89 0.00 0.00 0.00 0.00 0.00 173.10 174.99 2wfm n LEU 21 N 0.00 0.00 0.00 0.00 4.77 -1.20 -3.20 117.00 117.37 2wfm n LEU 21 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2wfm n LEU 21 Cb 0.08 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 2wfm n LEU 21 CO 0.00 0.00 0.35 0.61 -1.33 0.00 0.00 177.39 177.02 2wfm n GLY 22 N 5.00 0.94 0.31 -0.72 0.00 -1.26 -3.27 105.19 106.19 2wfm n GLY 22 Ca 0.00 -1.00 0.14 0.00 0.00 0.00 0.00 46.02 45.16 2wfm n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfm h ALA 23 N 2.00 1.84 0.00 4.61 0.00 -1.88 -2.55 119.26 123.28 2wfm h ALA 23 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wfm h ALA 23 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wfm h ALA 23 CO 0.14 -0.16 0.01 0.11 0.00 0.00 0.00 179.25 179.35 2wfm h TRP 24 N 0.00 0.00 0.00 0.00 5.08 -1.94 -1.77 115.95 117.32 2wfm h TRP 24 Ca 0.05 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.02 2wfm h TRP 24 Cb 0.26 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.42 2wfm h TRP 24 CO 0.00 0.00 0.00 -0.84 -1.28 0.00 0.00 178.44 176.32 2wfm h ILE 25 N 0.00 0.00 -0.42 0.12 3.07 -1.88 -2.47 117.51 115.94 2wfm h ILE 25 Ca 0.00 -0.32 0.00 0.00 1.55 0.00 0.00 64.86 66.09 2wfm h ILE 25 Cb 0.02 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 37.85 2wfm h ILE 25 CO 0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 2wfm n TRP 26 N -2.98 0.95 0.31 0.16 7.02 -0.66 -4.47 117.44 117.75 2wfm n TRP 26 Ca -0.00 -0.38 0.17 0.00 -1.02 0.00 0.00 57.50 56.27 2wfm n TRP 26 Cb 0.22 -0.17 0.77 0.00 -2.42 0.00 0.00 31.31 29.71 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 2.62 0.00 0.01 -5.99 -0.00 -1.64 0.07 116.97 112.04 2wfm h TYR 27 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 58.73 58.36 2wfm h TYR 27 Cb 1.00 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 37.67 2wfm h TYR 27 CO 0.49 0.00 -2.35 1.63 -0.00 0.00 0.00 178.16 177.93 2wfm n LYS 28 N -2.86 0.67 0.03 0.10 5.02 -1.26 -4.39 118.16 115.47 2wfm n LYS 28 Ca -0.00 0.09 -0.19 0.00 -2.02 0.00 0.00 58.31 56.19 2wfm n LYS 28 Cb 0.22 -1.55 -0.11 0.00 -0.02 0.00 0.00 35.03 33.57 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 0.75 -0.42 -0.35 5.85 -1.68 -3.30 115.31 116.16 2wfm h LEU 29 Ca -0.53 -0.75 0.09 0.00 0.84 0.00 0.00 57.88 57.52 2wfm h LEU 29 Cb 2.08 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 42.79 2wfm h LEU 29 CO -0.01 1.40 -0.23 0.50 -0.34 0.00 0.00 178.44 179.77 2wfm h LYS 30 N 0.18 -0.14 0.00 1.25 3.64 -1.21 -0.93 116.57 119.36 2wfm h LYS 30 Ca -0.11 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 2wfm h LYS 30 Cb 1.53 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.38 2wfm h LYS 30 CO 0.17 -0.09 -0.24 -1.00 -2.27 0.00 0.00 179.45 176.01 2wfm h PRO 31 N -0.15 0.00 -0.47 1.90 0.13 -1.77 -1.39 132.00 130.25 2wfm h PRO 31 Ca 0.20 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.26 2wfm h PRO 31 Cb 0.46 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 2wfm h PRO 31 CO -0.51 0.24 0.00 -0.07 -0.23 0.00 0.00 178.00 177.43 2wfm h LEU 32 N 0.00 0.82 -0.56 1.56 3.38 -1.29 0.30 115.31 119.52 2wfm h LEU 32 Ca -0.00 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 2wfm h LEU 32 Cb 0.47 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2wfm h LEU 32 CO 0.03 0.92 -0.22 -0.07 0.09 0.00 0.00 178.44 179.19 2wfm h LEU 33 N 0.69 0.95 -0.39 1.67 3.38 -1.04 -2.41 115.31 118.16 2wfm h LEU 33 Ca 0.13 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 2wfm h LEU 33 Cb 0.50 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2wfm h LEU 33 CO 0.02 1.13 -0.07 -0.33 0.09 0.00 0.00 178.44 179.28 2wfm h GLU 34 N 0.80 0.74 -0.94 1.13 5.08 -1.21 -2.09 114.58 118.08 2wfm h GLU 34 Ca 0.10 -0.27 0.22 0.00 -1.00 0.00 0.00 59.36 58.41 2wfm h GLU 34 Cb 0.78 -0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.87 2wfm h GLU 34 CO 0.06 0.87 0.50 0.77 -1.00 0.00 0.00 179.01 180.21 2wfm h SER 35 N 0.55 0.54 0.34 1.42 0.02 -0.94 0.73 113.55 116.21 2wfm h SER 35 Ca 0.10 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2wfm h SER 35 Cb 0.58 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2wfm h SER 35 CO 0.03 0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.83 2wfm n ALA 36 N -2.40 1.99 0.00 3.77 0.00 -0.91 -4.86 120.51 118.11 2wfm n ALA 36 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2wfm n ALA 36 Cb 0.65 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.28 1.00 3.85 0.00 0.00 0.25 -5.08 105.19 105.49 2wfm n GLY 37 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 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 3.03 0.11 1.61 3.76 -0.82 -4.72 115.29 116.26 2wfm s HIS 38 Ca 0.00 -0.20 -0.20 0.00 -0.15 0.00 0.00 55.06 54.51 2wfm s HIS 38 Cb 0.00 -1.60 -0.07 0.00 1.11 0.00 0.00 32.58 32.02 2wfm s HIS 38 CO 0.00 0.35 0.63 0.21 -0.85 0.00 0.00 174.74 175.08 2wfm s LYS 39 N -3.92 4.28 -0.04 1.40 2.20 -0.11 -4.07 119.74 119.48 2wfm s LYS 39 Ca 0.37 0.84 0.02 0.00 -0.36 0.00 0.00 55.97 56.83 2wfm s LYS 39 Cb -0.07 -3.20 0.01 0.00 -1.51 0.00 0.00 37.83 33.07 2wfm s LYS 39 CO 0.26 0.59 -0.07 0.08 -0.36 0.00 0.00 175.35 175.85 2wfm s VAL 40 N -1.17 0.68 -0.18 4.02 1.01 -1.26 -0.20 120.40 123.30 2wfm s VAL 40 Ca 0.32 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.06 2wfm s VAL 40 Cb -0.20 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.55 2wfm s VAL 40 CO 0.21 0.24 -0.19 -0.89 0.00 0.00 0.00 175.10 174.47 2wfm s THR 41 N 0.60 2.13 -0.29 3.92 2.01 0.87 -4.96 115.64 119.92 2wfm s THR 41 Ca -0.09 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 60.93 2wfm s THR 41 Cb -0.12 -1.89 0.01 0.00 0.01 0.00 0.00 72.50 70.51 2wfm s THR 41 CO 0.01 0.54 0.05 0.00 -0.69 0.00 0.00 174.62 174.53 2wfm s ALA 42 N 1.25 3.00 0.03 7.40 0.00 -1.26 -0.58 121.76 131.59 2wfm s ALA 42 Ca 0.04 -1.45 -0.06 0.00 0.00 0.00 0.00 51.96 50.48 2wfm s ALA 42 Cb -0.13 -2.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 2wfm s ALA 42 CO -0.11 -0.90 0.28 0.54 0.00 0.00 0.00 175.76 175.57 2wfm s VAL 43 N 1.47 5.28 -0.25 0.00 0.11 -0.99 -4.83 120.40 121.18 2wfm s VAL 43 Ca 0.02 0.15 -0.17 0.00 -2.93 0.00 0.00 61.98 59.06 2wfm s VAL 43 Cb -0.17 -3.58 -0.03 0.00 -1.53 0.00 0.00 36.38 31.07 2wfm s VAL 43 CO 0.01 0.33 0.46 -1.81 -3.33 0.00 0.00 175.10 170.75 2wfm s ASP 44 N -1.80 6.38 0.93 3.54 1.01 -1.26 -3.67 116.67 121.80 2wfm s ASP 44 Ca 0.29 0.45 -0.13 0.00 0.71 0.00 0.00 52.55 53.88 2wfm s ASP 44 Cb -0.13 -2.25 0.15 0.00 1.01 0.00 0.00 42.92 41.69 2wfm s ASP 44 CO 0.17 -0.22 1.14 -0.76 0.21 0.00 0.00 175.17 175.71 2wfm s LEU 45 N 2.09 1.97 0.24 1.23 1.43 -1.26 -4.72 118.68 119.65 2wfm s LEU 45 Ca 0.19 0.93 -0.31 0.00 -1.03 0.00 0.00 54.13 53.91 2wfm s LEU 45 Cb -0.16 -3.22 -0.11 0.00 0.03 0.00 0.00 46.19 42.73 2wfm s LEU 45 CO 0.09 -2.65 1.64 -0.44 0.23 0.00 0.00 176.35 175.23 2wfm s SER 46 N -4.03 6.41 -1.54 2.29 0.01 -0.80 -1.81 113.70 114.23 2wfm s SER 46 Ca 0.64 2.86 0.00 0.00 1.31 0.00 0.00 55.95 60.76 2wfm s SER 46 Cb -0.14 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.47 2wfm s SER 46 CO 0.54 -0.92 0.00 0.00 0.41 0.00 0.00 173.24 173.27 2wfm n ALA 47 N 3.22 -0.33 -2.45 1.44 0.00 -1.25 -4.92 120.51 116.22 2wfm n ALA 47 Ca 0.12 0.20 -0.25 0.00 0.00 0.00 0.00 53.44 53.51 2wfm n ALA 47 Cb 0.37 -1.72 -0.12 0.00 0.00 0.00 0.00 19.45 17.97 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 -2.67 2.19 0.00 0.00 0.00 -0.75 -4.78 121.76 115.75 2wfm s ALA 48 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.49 2wfm s ALA 48 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2wfm s ALA 48 CO 0.00 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.55 2wfm n GLY 49 N 0.58 2.80 1.74 0.00 0.00 -1.20 -1.32 105.19 107.79 2wfm n GLY 49 Ca -0.15 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.58 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 2.72 -1.79 -0.61 -5.35 -1.26 -4.95 119.36 108.13 2wfm n ILE 50 Ca 0.00 -1.53 -0.42 0.00 -0.27 0.00 0.00 62.75 60.53 2wfm n ILE 50 Cb 0.00 -0.29 -0.03 0.00 -1.74 0.00 0.00 39.64 37.58 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 -1.02 6.44 0.17 7.28 3.84 -0.44 -4.91 114.94 126.31 2wfm s ASN 51 Ca 0.53 2.78 0.21 0.00 0.21 0.00 0.00 52.86 56.59 2wfm s ASN 51 Cb 0.41 -2.59 0.86 0.00 -0.55 0.00 0.00 41.25 39.37 2wfm s ASN 51 CO 0.14 -0.93 1.63 -0.81 -2.79 0.00 0.00 177.10 174.34 2wfm n PRO 52 N 4.13 0.13 -1.84 0.43 -0.04 -1.26 -4.35 135.00 132.20 2wfm n PRO 52 Ca 0.15 0.36 -0.33 0.00 -0.04 0.00 0.00 63.50 63.64 2wfm n PRO 52 Cb 0.36 -1.74 0.04 0.00 -0.04 0.00 0.00 33.50 32.12 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 -3.20 2.92 0.04 0.54 1.81 -1.26 -4.96 118.95 114.83 2wfm s ARG 53 Ca 0.05 1.39 -0.04 0.00 -1.72 0.00 0.00 55.73 55.41 2wfm s ARG 53 Cb 0.10 -1.97 -0.05 0.00 -0.45 0.00 0.00 34.95 32.58 2wfm s ARG 53 CO 0.36 -1.16 0.27 1.03 -0.68 0.00 0.00 175.30 175.11 2wfm s ARG 54 N -4.01 3.54 0.29 3.54 0.52 -1.26 -3.82 118.95 117.76 2wfm s ARG 54 Ca 0.67 -0.19 -0.02 0.00 -0.52 0.00 0.00 55.73 55.68 2wfm s ARG 54 Cb -0.20 -3.03 0.44 0.00 0.52 0.00 0.00 34.95 32.68 2wfm s ARG 54 CO 0.39 0.61 1.95 1.25 0.02 0.00 0.00 175.30 179.52 2wfm h LEU 55 N 3.55 0.97 0.00 2.53 5.85 -1.91 -1.39 115.31 124.91 2wfm h LEU 55 Ca -0.48 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2wfm h LEU 55 Cb 1.18 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2wfm h LEU 55 CO 0.70 0.68 0.00 -0.90 -0.34 0.00 0.00 178.44 178.58 2wfm n ASP 56 N -4.43 0.00 -1.11 1.25 5.68 -1.26 -0.57 116.55 116.11 2wfm n ASP 56 Ca 0.11 -0.13 0.10 0.00 -0.50 0.00 0.00 54.79 54.36 2wfm n ASP 56 Cb 0.07 -0.19 0.26 0.00 -1.14 0.00 0.00 41.12 40.12 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 -1.19 2.75 -3.90 0.11 0.28 -0.53 -4.81 120.64 113.35 2wfm n GLU 57 Ca 0.09 -2.45 -0.35 0.00 -0.16 0.00 0.00 57.16 54.30 2wfm n GLU 57 Cb 0.11 -1.47 -0.14 0.00 1.43 0.00 0.00 31.44 31.37 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 -1.02 3.00 -0.36 3.84 -1.09 0.27 -4.95 121.20 120.89 2wfm s ILE 58 Ca 0.40 -1.41 0.06 0.00 -2.23 0.00 0.00 60.65 57.48 2wfm s ILE 58 Cb 0.21 -2.74 -0.06 0.00 -1.58 0.00 0.00 42.46 38.29 2wfm s ILE 58 CO 0.28 -0.13 0.32 1.41 -1.23 0.00 0.00 174.94 175.58 2wfm n HIS 59 N 4.62 0.00 -4.29 3.97 8.25 -1.26 -4.96 115.22 121.55 2wfm n HIS 59 Ca -0.13 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.09 2wfm n HIS 59 Cb 0.43 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.42 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 -1.51 1.72 0.33 1.59 -4.23 -1.26 -4.78 115.64 107.50 2wfm s THR 60 Ca 0.03 -1.55 0.03 0.00 -1.18 0.00 0.00 61.69 59.02 2wfm s THR 60 Cb 0.05 -1.57 0.29 0.00 1.34 0.00 0.00 72.50 72.61 2wfm s THR 60 CO 0.25 -0.06 1.93 0.15 -0.54 0.00 0.00 174.62 176.35 2wfm h PHE 61 N 4.07 0.93 -0.52 3.99 3.57 -1.93 -1.15 116.94 125.89 2wfm h PHE 61 Ca -0.46 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.05 2wfm h PHE 61 Cb 1.18 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 2wfm h PHE 61 CO 0.62 0.48 0.28 -0.09 -2.23 0.00 0.00 178.31 177.37 2wfm h ARG 62 N 0.91 0.74 -0.83 1.11 2.43 -1.97 -1.33 114.38 115.43 2wfm h ARG 62 Ca 0.36 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.41 2wfm h ARG 62 Cb 0.24 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2wfm h ARG 62 CO -0.13 0.58 0.41 -0.44 -1.51 0.00 0.00 179.97 178.87 2wfm h ASP 63 N 0.70 1.07 -0.71 -3.80 3.32 -1.81 -2.51 116.42 112.68 2wfm h ASP 63 Ca 0.18 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2wfm h ASP 63 Cb 0.06 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 2wfm h ASP 63 CO -0.03 0.90 0.39 0.22 -1.72 0.00 0.00 179.24 179.01 2wfm h TYR 64 N 1.17 0.98 -0.01 4.55 3.20 -1.02 -2.94 116.97 122.90 2wfm h TYR 64 Ca 0.29 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.13 2wfm h TYR 64 Cb 0.10 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.06 2wfm h TYR 64 CO 0.01 0.69 -0.08 0.43 -1.64 0.00 0.00 178.16 177.57 2wfm n SER 65 N -4.49 0.59 -0.18 -2.11 7.64 -0.52 -1.91 113.62 112.64 2wfm n SER 65 Ca 0.06 -0.80 0.11 0.00 1.01 0.00 0.00 58.87 59.25 2wfm n SER 65 Cb 0.09 -0.04 0.43 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.79 0.56 0.00 1.43 4.57 -1.27 0.64 114.58 121.30 2wfm h GLU 66 Ca 0.00 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 2wfm h GLU 66 Cb 0.33 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2wfm h GLU 66 CO 0.00 0.37 -0.12 -1.35 -1.18 0.00 0.00 179.01 176.73 2wfm h PRO 67 N 0.58 0.00 -0.00 0.92 0.11 -1.83 -0.99 132.00 130.79 2wfm h PRO 67 Ca 0.35 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.22 2wfm h PRO 67 Cb 0.58 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.70 2wfm h PRO 67 CO -0.13 0.12 -0.99 1.25 -0.21 0.00 0.00 178.00 178.04 2wfm h LEU 68 N 0.00 0.72 -1.15 2.35 5.85 -1.20 -2.91 115.31 118.97 2wfm h LEU 68 Ca -0.00 -0.58 -0.04 0.00 0.84 0.00 0.00 57.88 58.10 2wfm h LEU 68 Cb 0.34 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2wfm h LEU 68 CO 0.02 1.38 0.15 0.24 -0.34 0.00 0.00 178.44 179.88 2wfm h MET 69 N 0.31 0.74 -0.70 1.25 2.86 -1.01 -0.67 114.93 117.72 2wfm h MET 69 Ca -0.10 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.34 2wfm h MET 69 Cb 1.64 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 33.14 2wfm h MET 69 CO 0.18 0.65 0.18 0.93 1.06 0.00 0.00 176.91 179.92 2wfm h GLU 70 N 0.73 1.10 -0.32 1.72 5.08 -1.23 -0.20 114.58 121.46 2wfm h GLU 70 Ca 0.17 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2wfm h GLU 70 Cb 0.23 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2wfm h GLU 70 CO -0.01 0.96 0.19 0.28 -1.00 0.00 0.00 179.01 179.43 2wfm h VAL 71 N 1.05 1.11 -0.99 3.13 2.07 -1.25 -3.03 116.25 118.35 2wfm h VAL 71 Ca 0.22 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.48 2wfm h VAL 71 Cb 0.34 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 2wfm h VAL 71 CO -0.00 0.11 0.65 0.24 0.02 0.00 0.00 177.57 178.59 2wfm h MET 72 N 0.41 1.30 0.00 1.57 2.86 -0.74 -2.45 114.93 117.88 2wfm h MET 72 Ca 0.11 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2wfm h MET 72 Cb 0.02 -0.29 0.00 0.00 0.06 0.00 0.00 31.60 31.39 2wfm h MET 72 CO -0.02 0.87 0.00 0.00 1.06 0.00 0.00 176.91 178.81 2wfm h ALA 73 N 1.36 1.00 -0.73 6.32 0.00 -1.01 -3.08 119.26 123.12 2wfm h ALA 73 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2wfm h ALA 73 Cb -0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2wfm h ALA 73 CO -0.08 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.04 2wfm n SER 74 N -2.96 4.13 -4.70 0.00 3.41 -0.92 -4.89 113.62 107.69 2wfm n SER 74 Ca 0.01 -2.08 -0.42 0.00 -0.26 0.00 0.00 58.87 56.12 2wfm n SER 74 Cb 0.32 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 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 -1.15 4.86 0.78 -1.33 1.01 -1.17 -5.03 121.20 119.18 2wfm s ILE 75 Ca 0.50 1.93 -0.10 0.00 0.00 0.00 0.00 60.65 62.98 2wfm s ILE 75 Cb 0.27 -4.26 0.06 0.00 0.01 0.00 0.00 42.46 38.54 2wfm s ILE 75 CO 0.32 0.10 1.09 -2.16 0.00 0.00 0.00 174.94 174.29 2wfm s PRO 76 N 1.48 2.19 0.38 2.79 0.04 -1.26 -4.92 135.00 135.71 2wfm s PRO 76 Ca 0.47 1.18 0.16 0.00 0.04 0.00 0.00 61.00 62.85 2wfm s PRO 76 Cb -0.19 -1.89 1.04 0.00 0.04 0.00 0.00 34.50 33.50 2wfm s PRO 76 CO 0.21 -1.69 1.78 -1.35 0.04 0.00 0.00 177.00 175.99 2wfm h PRO 77 N -1.17 0.45 0.00 0.56 0.11 -1.99 -1.50 132.00 128.46 2wfm h PRO 77 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2wfm h PRO 77 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2wfm h PRO 77 CO 0.51 0.30 0.00 -0.44 -0.21 0.00 0.00 178.00 178.16 2wfm h ASP 78 N 0.46 0.00 -3.14 -2.05 3.32 -2.03 -3.47 116.42 109.52 2wfm h ASP 78 Ca 0.57 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 57.00 2wfm h ASP 78 Cb 1.35 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.72 2wfm h ASP 78 CO -0.30 0.00 -0.81 -1.61 -1.72 0.00 0.00 179.24 174.80 2wfm s GLU 79 N -3.67 1.49 0.15 3.56 2.02 -0.57 -5.15 118.70 116.53 2wfm s GLU 79 Ca -0.01 -1.54 0.05 0.00 0.02 0.00 0.00 54.97 53.49 2wfm s GLU 79 Cb 0.09 -1.75 -0.04 0.00 0.10 0.00 0.00 34.13 32.53 2wfm s GLU 79 CO 0.33 0.37 -0.11 0.15 0.02 0.00 0.00 175.26 176.02 2wfm s LYS 80 N -2.80 1.08 0.19 1.61 1.02 -1.26 -4.73 119.74 114.86 2wfm s LYS 80 Ca 0.21 -1.45 0.11 0.00 0.02 0.00 0.00 55.97 54.86 2wfm s LYS 80 Cb -0.07 -0.69 -0.04 0.00 -0.52 0.00 0.00 37.83 36.50 2wfm s LYS 80 CO 0.10 0.09 -0.19 0.14 -0.92 0.00 0.00 175.35 174.57 2wfm s VAL 81 N -3.19 2.62 -0.25 3.17 -7.23 0.00 -4.47 120.40 111.05 2wfm s VAL 81 Ca 0.17 -1.92 -0.16 0.00 -1.81 0.00 0.00 61.98 58.26 2wfm s VAL 81 Cb 0.02 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 2wfm s VAL 81 CO 0.01 -0.12 0.42 -0.69 -0.31 0.00 0.00 175.10 174.42 2wfm s VAL 82 N -1.69 5.15 -0.03 1.32 1.01 -0.15 -1.43 120.40 124.58 2wfm s VAL 82 Ca 0.22 0.70 -0.16 0.00 0.00 0.00 0.00 61.98 62.74 2wfm s VAL 82 Cb -0.08 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 2wfm s VAL 82 CO 0.12 0.16 0.44 -0.76 0.00 0.00 0.00 175.10 175.05 2wfm s LEU 83 N 1.97 4.42 -0.08 3.92 1.43 -0.86 -0.66 118.68 128.83 2wfm s LEU 83 Ca 0.18 0.94 0.01 0.00 -1.03 0.00 0.00 54.13 54.23 2wfm s LEU 83 Cb -0.15 -2.65 0.02 0.00 0.03 0.00 0.00 46.19 43.44 2wfm s LEU 83 CO 0.09 0.22 -0.09 -0.22 0.23 0.00 0.00 176.35 176.58 2wfm s LEU 84 N -0.55 1.41 0.01 1.79 2.96 -0.37 0.66 118.68 124.59 2wfm s LEU 84 Ca 0.25 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 2wfm s LEU 84 Cb -0.16 -0.77 -0.01 0.00 0.50 0.00 0.00 46.19 45.75 2wfm s LEU 84 CO 0.13 -0.04 -0.02 -0.83 -1.32 0.00 0.00 176.35 174.27 2wfm s GLY 85 N 1.09 0.14 0.11 7.98 0.00 -0.58 -0.30 107.32 115.75 2wfm s GLY 85 Ca -0.07 -0.29 0.07 0.00 0.00 0.00 0.00 44.72 44.44 2wfm s GLY 85 CO -0.01 -0.31 -0.11 -2.38 0.00 0.00 0.00 173.10 170.28 2wfm s HIS 86 N -0.65 2.71 0.00 1.90 -3.43 -0.99 -1.17 115.29 113.66 2wfm s HIS 86 Ca -0.07 -0.17 0.00 0.00 -0.80 0.00 0.00 55.06 54.02 2wfm s HIS 86 Cb -0.05 -1.42 0.00 0.00 -1.43 0.00 0.00 32.58 29.69 2wfm s HIS 86 CO -0.00 0.42 0.00 0.45 -2.00 0.00 0.00 174.74 173.61 2wfm n SER 87 N 0.71 0.00 0.18 7.38 2.88 -0.55 0.11 113.62 124.32 2wfm n SER 87 Ca -0.14 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.53 2wfm n SER 87 Cb 0.52 0.00 0.66 0.00 -0.75 0.00 0.00 64.21 64.64 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 -0.20 0.66 3.57 -1.88 -1.92 116.94 117.17 2wfm h PHE 88 Ca 0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 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 0.33 0.78 -2.23 0.00 0.00 178.31 177.19 2wfm h GLY 89 N 0.02 0.00 1.58 2.40 0.00 -0.40 -1.16 103.07 105.51 2wfm h GLY 89 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2wfm h GLY 89 CO 0.00 0.00 -0.01 -1.33 0.00 0.00 0.00 176.54 175.20 2wfm h GLY 90 N 0.00 0.56 1.12 4.60 0.00 -1.46 -2.65 103.07 105.23 2wfm h GLY 90 Ca 0.10 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 2wfm h GLY 90 CO -0.00 0.31 0.25 -0.33 0.00 0.00 0.00 176.54 176.77 2wfm h MET 91 N 0.50 1.10 -0.47 4.80 2.07 -1.35 -1.59 114.93 119.99 2wfm h MET 91 Ca 0.11 -0.22 -0.06 0.00 -2.07 0.00 0.00 59.70 57.46 2wfm h MET 91 Cb 0.34 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 29.89 2wfm h MET 91 CO 0.01 0.93 0.07 0.77 1.07 0.00 0.00 176.91 179.76 2wfm h SER 92 N 1.07 0.76 -0.39 1.22 0.02 -1.63 -2.31 113.55 112.29 2wfm h SER 92 Ca 0.24 -0.26 0.08 0.00 -0.84 0.00 0.00 61.79 61.01 2wfm h SER 92 Cb 0.27 -0.20 -0.08 0.00 0.14 0.00 0.00 62.40 62.52 2wfm h SER 92 CO -0.01 0.83 -0.19 -0.07 -1.14 0.00 0.00 176.83 176.25 2wfm h LEU 93 N 0.66 -0.65 -0.94 5.07 4.07 -1.40 -1.22 115.31 120.90 2wfm h LEU 93 Ca 0.14 0.15 0.12 0.00 0.08 0.00 0.00 57.88 58.37 2wfm h LEU 93 Cb 0.40 0.35 -0.08 0.00 1.08 0.00 0.00 40.66 42.41 2wfm h LEU 93 CO 0.01 -0.22 0.57 1.23 -1.08 0.00 0.00 178.44 178.95 2wfm h GLY 94 N -0.12 1.53 1.44 0.83 0.00 -1.01 0.19 103.07 105.93 2wfm h GLY 94 Ca 0.19 -0.38 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 2wfm h GLY 94 CO -0.47 0.13 -0.37 -2.00 0.00 0.00 0.00 176.54 173.84 2wfm h LEU 95 N 0.91 0.65 -0.63 3.11 5.85 -0.93 -0.19 115.31 124.08 2wfm h LEU 95 Ca 0.47 -0.28 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 2wfm h LEU 95 Cb 0.47 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2wfm h LEU 95 CO -0.27 0.96 -0.28 0.00 -0.34 0.00 0.00 178.44 178.51 2wfm h ALA 96 N 1.08 0.82 -0.41 1.25 0.00 -0.20 -1.99 119.26 119.80 2wfm h ALA 96 Ca 0.05 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 2wfm h ALA 96 Cb 0.87 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2wfm h ALA 96 CO 0.08 0.64 -0.22 0.52 0.00 0.00 0.00 179.25 180.27 2wfm h MET 97 N 0.66 0.83 -0.07 0.00 2.86 -0.45 0.22 114.93 118.97 2wfm h MET 97 Ca 0.08 -0.34 -0.14 0.00 -2.06 0.00 0.00 59.70 57.24 2wfm h MET 97 Cb 0.80 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 2wfm h MET 97 CO 0.07 0.97 -0.59 1.49 1.06 0.00 0.00 176.91 179.90 2wfm h GLU 98 N 0.72 0.23 0.09 1.72 4.57 -0.89 -2.95 114.58 118.08 2wfm h GLU 98 Ca 0.10 -0.16 -0.37 0.00 -1.18 0.00 0.00 59.36 57.75 2wfm h GLU 98 Cb 0.74 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 2wfm h GLU 98 CO 0.06 0.75 -2.11 2.41 -1.18 0.00 0.00 179.01 178.95 2wfm n THR 99 N -3.88 1.71 -2.83 0.32 -1.04 -0.76 -4.50 114.28 103.29 2wfm n THR 99 Ca -0.02 -0.64 -0.23 0.00 -2.04 0.00 0.00 64.05 61.12 2wfm n THR 99 Cb 0.61 -1.64 -0.02 0.00 -1.82 0.00 0.00 70.33 67.46 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 -3.42 2.77 -0.36 -1.42 4.01 0.74 -4.94 117.16 114.55 2wfm n TYR 100 Ca -0.35 -3.58 0.05 0.00 -0.16 0.00 0.00 57.90 53.86 2wfm n TYR 100 Cb 1.04 -0.35 0.21 0.00 -0.31 0.00 0.00 39.34 39.92 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 2.88 1.04 0.00 -0.72 0.13 -1.67 -1.99 132.00 131.68 2wfm h PRO 101 Ca 0.14 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2wfm h PRO 101 Cb 0.79 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2wfm h PRO 101 CO 0.73 0.69 0.00 -0.85 -0.23 0.00 0.00 178.00 178.33 2wfm n GLU 102 N -4.57 0.03 -0.06 0.86 -0.00 -1.26 -2.88 120.64 112.75 2wfm n GLU 102 Ca 0.17 0.18 0.11 0.00 -0.00 0.00 0.00 57.16 57.62 2wfm n GLU 102 Cb 0.28 -1.54 0.42 0.00 -0.00 0.00 0.00 31.44 30.59 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 -1.59 1.67 -4.35 3.44 4.76 -0.75 -4.86 118.16 116.48 2wfm n LYS 103 Ca 0.05 -1.00 -0.30 0.00 -2.87 0.00 0.00 58.31 54.19 2wfm n LYS 103 Cb 0.24 -1.41 -0.17 0.00 -1.84 0.00 0.00 35.03 31.86 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 -1.84 1.64 -0.03 -0.18 1.01 -1.14 -0.82 121.20 119.84 2wfm s ILE 104 Ca 0.33 -0.71 -0.21 0.00 0.00 0.00 0.00 60.65 60.06 2wfm s ILE 104 Cb 0.18 -1.50 -0.30 0.00 0.01 0.00 0.00 42.46 40.85 2wfm s ILE 104 CO 0.27 0.47 0.95 0.77 0.00 0.00 0.00 174.94 177.40 2wfm h SER 105 N 7.61 0.50 -3.83 3.58 4.64 -1.56 -3.46 113.55 121.03 2wfm h SER 105 Ca -0.34 -0.91 -0.10 0.00 -0.47 0.00 0.00 61.79 59.97 2wfm h SER 105 Cb 1.16 -0.16 -0.23 0.00 -0.31 0.00 0.00 62.40 62.86 2wfm h SER 105 CO 0.52 1.37 -0.14 0.54 -0.87 0.00 0.00 176.83 178.25 2wfm s VAL 106 N -2.61 -0.00 -0.34 0.95 0.11 -1.26 -4.32 120.40 112.93 2wfm s VAL 106 Ca -0.13 0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 58.82 2wfm s VAL 106 Cb 0.02 -0.70 -0.00 0.00 -1.53 0.00 0.00 36.38 34.16 2wfm s VAL 106 CO 0.84 0.00 0.19 0.00 -3.33 0.00 0.00 175.10 172.80 2wfm s ALA 107 N 0.40 3.34 -0.26 1.54 0.00 -0.33 -2.02 121.76 124.43 2wfm s ALA 107 Ca -0.01 -1.47 -0.16 0.00 0.00 0.00 0.00 51.96 50.31 2wfm s ALA 107 Cb -0.04 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 2wfm s ALA 107 CO -0.01 -1.05 0.43 0.08 0.00 0.00 0.00 175.76 175.21 2wfm s VAL 108 N 1.63 5.13 -0.34 0.00 1.01 0.21 -1.01 120.40 127.03 2wfm s VAL 108 Ca 0.04 0.70 -0.13 0.00 0.00 0.00 0.00 61.98 62.60 2wfm s VAL 108 Cb -0.18 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 2wfm s VAL 108 CO 0.07 0.13 0.23 -0.36 0.00 0.00 0.00 175.10 175.18 2wfm s PHE 109 N 2.13 3.22 -0.27 5.22 0.08 0.24 -1.53 117.98 127.07 2wfm s PHE 109 Ca 0.18 -0.24 -0.07 0.00 0.12 0.00 0.00 56.93 56.92 2wfm s PHE 109 Cb -0.16 -2.46 -0.01 0.00 -0.57 0.00 0.00 43.02 39.82 2wfm s PHE 109 CO 0.10 -0.36 0.07 1.41 -0.10 0.00 0.00 175.22 176.33 2wfm s MET 110 N 1.71 3.40 -1.18 0.44 -2.45 -0.31 -0.83 119.30 120.08 2wfm s MET 110 Ca 0.06 -0.65 -0.23 0.00 -1.25 0.00 0.00 55.69 53.62 2wfm s MET 110 Cb -0.17 -3.33 0.03 0.00 1.25 0.00 0.00 34.83 32.61 2wfm s MET 110 CO 0.10 -0.30 0.44 0.43 1.05 0.00 0.00 175.02 176.75 2wfm n SER 111 N 4.90 -2.43 -4.25 1.11 7.64 -0.68 -3.20 113.62 116.72 2wfm n SER 111 Ca -0.16 -1.17 -0.14 0.00 1.01 0.00 0.00 58.87 58.41 2wfm n SER 111 Cb 0.50 -1.42 -0.10 0.00 -1.01 0.00 0.00 64.21 62.18 2wfm n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wfm s ALA 112 N -3.84 1.39 -0.12 -0.43 0.00 -1.26 -1.49 121.76 116.02 2wfm s ALA 112 Ca 0.33 -1.65 -0.29 0.00 0.00 0.00 0.00 51.96 50.35 2wfm s ALA 112 Cb -0.18 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 2wfm s ALA 112 CO 0.88 -0.37 1.26 -1.64 0.00 0.00 0.00 175.76 175.90 2wfm s MET 113 N -3.96 4.27 -0.35 0.00 -1.94 -1.20 -4.86 119.30 111.27 2wfm s MET 113 Ca 0.27 1.70 -0.06 0.00 -1.71 0.00 0.00 55.69 55.89 2wfm s MET 113 Cb 0.07 -3.70 0.05 0.00 2.01 0.00 0.00 34.83 33.26 2wfm s MET 113 CO 0.06 -0.62 0.11 1.41 -0.01 0.00 0.00 175.02 175.97 2wfm s MET 114 N 3.06 2.55 0.91 2.03 1.75 -1.26 -4.05 119.30 124.29 2wfm s MET 114 Ca 0.56 -1.27 -0.11 0.00 -1.25 0.00 0.00 55.69 53.63 2wfm s MET 114 Cb -0.23 -3.46 0.14 0.00 2.84 0.00 0.00 34.83 34.11 2wfm s MET 114 CO 0.18 -0.72 1.11 -2.14 -0.65 0.00 0.00 175.02 172.80 2wfm s PRO 115 N 1.36 1.12 -0.12 4.11 0.02 -1.26 -5.01 135.00 135.22 2wfm s PRO 115 Ca -0.01 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.22 2wfm s PRO 115 Cb -0.20 -1.76 0.02 0.00 0.02 0.00 0.00 34.50 32.58 2wfm s PRO 115 CO 0.02 -2.45 -0.11 0.34 -0.33 0.00 0.00 177.00 174.47 2wfm s ASP 116 N -2.99 2.35 0.00 2.53 -1.08 -1.26 -5.02 116.67 111.19 2wfm s ASP 116 Ca 0.65 -0.37 0.08 0.00 -0.52 0.00 0.00 52.55 52.38 2wfm s ASP 116 Cb -0.21 -0.97 0.34 0.00 -1.46 0.00 0.00 42.92 40.62 2wfm s ASP 116 CO 0.58 -0.08 1.23 -0.81 0.52 0.00 0.00 175.17 176.61 2wfm n PRO 117 N 4.77 0.01 0.00 4.34 -0.04 -1.26 -1.43 135.00 141.39 2wfm n PRO 117 Ca -0.15 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 63.79 2wfm n PRO 117 Cb 0.50 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.85 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 0.86 -4.37 3.54 3.02 -1.26 -4.61 115.26 110.97 2wfm n ASN 118 Ca 0.02 -0.74 -0.19 0.00 -0.03 0.00 0.00 54.58 53.65 2wfm n ASN 118 Cb 0.09 0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 39.27 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 -2.58 1.73 1.02 3.10 3.76 -0.52 -5.14 115.29 116.67 2wfm s HIS 119 Ca 0.23 -0.77 -0.13 0.00 -0.15 0.00 0.00 55.06 54.23 2wfm s HIS 119 Cb 0.19 -0.97 0.20 0.00 1.11 0.00 0.00 32.58 33.11 2wfm s HIS 119 CO 0.54 0.16 1.10 -1.54 -0.85 0.00 0.00 174.74 174.15 2wfm s SER 120 N -3.36 2.45 0.19 1.40 1.04 -1.26 -4.71 113.70 109.44 2wfm s SER 120 Ca 0.27 1.08 0.26 0.00 0.48 0.00 0.00 55.95 58.04 2wfm s SER 120 Cb 0.04 -1.69 0.89 0.00 0.10 0.00 0.00 66.02 65.36 2wfm s SER 120 CO 0.09 -3.23 1.77 0.18 0.98 0.00 0.00 173.24 173.04 2wfm n LEU 121 N -4.23 0.67 0.09 2.42 4.77 -1.26 -3.03 117.00 116.43 2wfm n LEU 121 Ca 0.06 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.75 2wfm n LEU 121 Cb 0.58 -0.39 0.34 0.00 -2.33 0.00 0.00 43.42 41.61 2wfm n LEU 121 CO 0.56 -0.23 0.73 0.35 -1.33 0.00 0.00 177.39 177.46 2wfm n THR 122 N -2.15 0.50 -0.34 -5.08 -2.24 -1.26 -4.48 114.28 99.24 2wfm n THR 122 Ca 0.05 -0.27 -0.04 0.00 -2.27 0.00 0.00 64.05 61.52 2wfm n THR 122 Cb 0.37 -0.44 0.09 0.00 -2.10 0.00 0.00 70.33 68.26 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 0.00 1.23 -0.91 4.78 3.20 -1.91 -0.17 116.97 123.18 2wfm h TYR 123 Ca 0.00 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 61.98 2wfm h TYR 123 Cb 0.73 -0.40 -0.07 0.00 1.54 0.00 0.00 36.73 38.53 2wfm h TYR 123 CO 0.00 0.84 0.59 -1.35 -1.64 0.00 0.00 178.16 176.60 2wfm h PRO 124 N 1.26 0.75 0.06 1.82 0.11 -1.83 -0.06 132.00 134.11 2wfm h PRO 124 Ca 0.32 -0.04 -0.23 0.00 0.11 0.00 0.00 66.00 66.16 2wfm h PRO 124 Cb 0.01 -0.17 0.02 0.00 0.11 0.00 0.00 31.00 30.97 2wfm h PRO 124 CO -0.05 0.49 -0.92 0.74 -0.21 0.00 0.00 178.00 178.05 2wfm h PHE 125 N 0.77 0.82 -0.63 0.65 0.04 -1.35 -1.34 116.94 115.89 2wfm h PHE 125 Ca 0.46 -0.48 0.04 0.00 2.80 0.00 0.00 57.97 60.78 2wfm h PHE 125 Cb 0.65 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.68 2wfm h PHE 125 CO -0.00 1.33 0.37 0.93 -0.60 0.00 0.00 178.31 180.34 2wfm h GLU 126 N 0.08 0.70 -0.63 1.51 5.08 -1.03 -0.40 114.58 119.88 2wfm h GLU 126 Ca -0.13 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 2wfm h GLU 126 Cb 1.62 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.69 2wfm h GLU 126 CO 0.18 0.46 0.19 0.87 -1.00 0.00 0.00 179.01 179.71 2wfm h LYS 127 N 0.72 0.96 -0.36 2.33 1.79 -1.00 -1.78 116.57 119.23 2wfm h LYS 127 Ca 0.26 -0.19 0.05 0.00 -2.18 0.00 0.00 60.65 58.59 2wfm h LYS 127 Cb 0.08 -0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.54 2wfm h LYS 127 CO -0.13 0.83 0.11 -0.92 -1.08 0.00 0.00 179.45 178.26 2wfm h TYR 128 N 0.93 0.19 -0.84 -1.35 3.20 -0.60 -2.43 116.97 116.06 2wfm h TYR 128 Ca 0.21 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 2wfm h TYR 128 Cb 0.28 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 2wfm h TYR 128 CO 0.02 0.07 0.48 -0.91 -1.64 0.00 0.00 178.16 176.18 2wfm h ASN 129 N 0.25 1.04 0.32 -2.11 -0.26 -0.91 -0.79 115.58 113.12 2wfm h ASN 129 Ca 0.17 -0.09 -0.07 0.00 -0.56 0.00 0.00 56.30 55.75 2wfm h ASN 129 Cb 0.16 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 2wfm h ASN 129 CO -0.19 0.82 -0.32 -0.08 -1.06 0.00 0.00 177.43 176.61 2wfm h GLU 130 N 1.17 0.00 0.00 0.81 4.81 -1.00 -3.09 114.58 117.28 2wfm h GLU 130 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2wfm h GLU 130 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2wfm h GLU 130 CO -0.05 0.32 -1.08 1.63 -0.73 0.00 0.00 179.01 179.09 2wfm n LYS 131 N -4.15 0.64 -4.95 1.92 4.01 -0.95 -4.96 118.16 109.72 2wfm n LYS 131 Ca -0.02 -0.03 -0.30 0.00 -0.51 0.00 0.00 58.31 57.44 2wfm n LYS 131 Cb 0.36 -1.42 -0.15 0.00 -0.51 0.00 0.00 35.03 33.31 2wfm n LYS 131 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wfm s PRO 133 N -1.14 1.98 0.04 0.00 0.04 -1.26 -4.68 135.00 129.98 2wfm s PRO 133 Ca 0.12 1.75 0.25 0.00 0.04 0.00 0.00 61.00 63.15 2wfm s PRO 133 Cb -0.10 -1.82 1.01 0.00 0.04 0.00 0.00 34.50 33.64 2wfm s PRO 133 CO 0.02 -1.95 1.78 0.00 0.04 0.00 0.00 177.00 176.88 2wfm n ALA 134 N -2.92 2.12 -0.97 8.56 0.00 -1.26 -2.61 120.51 123.43 2wfm n ALA 134 Ca 0.13 -0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.54 2wfm n ALA 134 Cb 0.50 -1.41 0.36 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.64 5.20 0.25 0.00 5.75 -1.26 -4.63 116.55 120.23 2wfm n ASP 135 Ca 0.06 -3.05 0.12 0.00 -0.01 0.00 0.00 54.79 51.91 2wfm n ASP 135 Cb 0.30 -0.68 0.66 0.00 -1.03 0.00 0.00 41.12 40.37 2wfm n ASP 135 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wfm h MET 136 N 3.29 0.00 -0.70 0.11 -0.00 -1.87 -2.41 114.93 113.34 2wfm h MET 136 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.78 2wfm h MET 136 Cb 2.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.61 2wfm h MET 136 CO 0.53 0.15 0.00 -1.33 -0.00 0.00 0.00 176.91 176.25 2wfm n MET 137 N -3.54 3.02 0.00 -0.10 2.81 -1.26 -4.98 117.12 113.07 2wfm n MET 137 Ca -0.01 -1.76 0.00 0.00 -1.81 0.00 0.00 57.70 54.12 2wfm n MET 137 Cb 0.29 -1.83 0.00 0.00 -0.71 0.00 0.00 33.22 30.97 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 0.43 0.00 -0.61 4.03 4.77 -0.91 -1.38 117.00 123.32 2wfm n LEU 138 Ca 0.16 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.18 2wfm n LEU 138 Cb 0.72 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.94 2wfm n LEU 138 CO 0.17 0.00 0.59 -0.90 -1.33 0.00 0.00 177.39 175.92 2wfm n ASP 139 N 4.58 1.74 -4.67 -1.43 5.75 -1.26 -4.88 116.55 116.38 2wfm n ASP 139 Ca 0.00 -2.05 -0.33 0.00 -0.01 0.00 0.00 54.79 52.40 2wfm n ASP 139 Cb 0.00 -0.25 0.13 0.00 -1.03 0.00 0.00 41.12 39.97 2wfm n ASP 139 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2wfm n SER 140 N 0.34 0.76 -4.09 -1.12 7.64 -0.48 -4.22 113.62 112.44 2wfm n SER 140 Ca 0.10 0.55 -0.11 0.00 1.01 0.00 0.00 58.87 60.42 2wfm n SER 140 Cb 0.30 -1.49 -0.11 0.00 -1.01 0.00 0.00 64.21 61.91 2wfm n SER 140 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2wfm s GLN 141 N -4.13 0.62 0.00 1.43 -0.21 -1.01 -4.88 119.66 111.49 2wfm s GLN 141 Ca 0.72 -0.98 0.02 0.00 0.02 0.00 0.00 55.36 55.13 2wfm s GLN 141 Cb -0.28 -0.18 -0.01 0.00 1.00 0.00 0.00 33.01 33.54 2wfm s GLN 141 CO 0.53 0.00 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.59 2wfm s PHE 142 N -2.38 0.46 0.02 0.91 0.08 -1.26 -1.31 117.98 114.50 2wfm s PHE 142 Ca -0.02 -0.16 -0.15 0.00 0.12 0.00 0.00 56.93 56.72 2wfm s PHE 142 Cb -0.03 -0.29 0.02 0.00 -0.57 0.00 0.00 43.02 42.15 2wfm s PHE 142 CO -0.02 -0.02 0.33 -1.54 -0.10 0.00 0.00 175.22 173.86 2wfm s SER 143 N -0.40 -0.19 0.56 1.36 1.04 -0.81 -4.98 113.70 110.29 2wfm s SER 143 Ca -0.01 -0.03 -0.18 0.00 0.48 0.00 0.00 55.95 56.22 2wfm s SER 143 Cb -0.03 0.35 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 2wfm s SER 143 CO -0.00 -0.55 1.06 0.42 0.98 0.00 0.00 173.24 175.15 2wfm s THR 144 N -2.00 3.69 0.28 2.02 -4.23 -1.26 -1.29 115.64 112.85 2wfm s THR 144 Ca -0.09 0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 61.29 2wfm s THR 144 Cb -0.03 -3.37 -0.01 0.00 1.34 0.00 0.00 72.50 70.43 2wfm s THR 144 CO 0.00 -0.37 0.38 -0.72 -0.54 0.00 0.00 174.62 173.38 2wfm s TYR 145 N -2.22 0.96 0.00 3.99 -0.85 -0.22 -4.84 117.35 114.18 2wfm s TYR 145 Ca 0.66 -1.19 0.00 0.00 -0.52 0.00 0.00 57.07 56.02 2wfm s TYR 145 Cb -0.17 -0.17 0.00 0.00 0.38 0.00 0.00 41.96 41.99 2wfm s TYR 145 CO 0.31 -0.97 0.00 0.41 -1.52 0.00 0.00 175.55 173.78 2wfm n GLY 146 N -0.46 0.32 3.74 5.49 0.00 -1.26 0.97 105.19 113.98 2wfm n GLY 146 Ca 0.01 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 2wfm n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wfm s ASN 147 N -4.00 6.83 0.59 1.61 4.22 -1.26 -4.92 114.94 118.02 2wfm s ASN 147 Ca 0.00 0.99 0.35 0.00 -2.14 0.00 0.00 52.86 52.06 2wfm s ASN 147 Cb 0.00 -2.33 1.88 0.00 1.28 0.00 0.00 41.25 42.08 2wfm s ASN 147 CO 0.00 0.02 2.21 -0.65 -2.04 0.00 0.00 177.10 176.64 2wfm h PRO 148 N 6.36 0.00 0.00 3.55 0.11 -1.99 -0.83 132.00 139.21 2wfm h PRO 148 Ca -0.43 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 2wfm h PRO 148 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wfm h PRO 148 CO 0.73 0.04 -0.16 0.93 -0.21 0.00 0.00 178.00 179.33 2wfm h GLU 149 N 0.00 0.00 -1.82 1.05 3.07 -1.99 -3.37 114.58 111.52 2wfm h GLU 149 Ca -0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 59.36 58.45 2wfm h GLU 149 Cb 0.17 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 27.79 2wfm h GLU 149 CO 0.00 0.16 -0.78 1.21 -1.40 0.00 0.00 179.01 178.21 2wfm s ASN 150 N -6.09 0.30 0.48 1.42 3.04 -0.34 -5.14 114.94 108.60 2wfm s ASN 150 Ca 0.02 -2.49 -0.21 0.00 0.04 0.00 0.00 52.86 50.22 2wfm s ASN 150 Cb 0.09 0.51 -0.08 0.00 -1.54 0.00 0.00 41.25 40.22 2wfm s ASN 150 CO 0.63 -0.13 1.07 -2.16 -3.04 0.00 0.00 177.10 173.47 2wfm s PRO 151 N 0.44 3.78 0.74 0.43 0.04 -1.04 -4.40 135.00 134.99 2wfm s PRO 151 Ca 0.31 1.48 -0.06 0.00 0.04 0.00 0.00 61.00 62.77 2wfm s PRO 151 Cb 0.01 -2.19 0.10 0.00 0.04 0.00 0.00 34.50 32.46 2wfm s PRO 151 CO -0.13 -0.46 1.04 0.20 0.04 0.00 0.00 177.00 177.68 2wfm s GLY 152 N -1.80 1.74 -0.11 0.56 0.00 0.27 -4.89 107.32 103.09 2wfm s GLY 152 Ca 0.66 -1.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.13 2wfm s GLY 152 CO 0.24 -0.74 -0.06 -0.29 0.00 0.00 0.00 173.10 172.25 2wfm s MET 153 N -5.28 1.35 0.19 2.90 1.75 -1.26 -1.06 119.30 117.90 2wfm s MET 153 Ca 0.64 -0.22 0.05 0.00 -1.25 0.00 0.00 55.69 54.91 2wfm s MET 153 Cb -0.08 -1.53 -0.04 0.00 2.84 0.00 0.00 34.83 36.03 2wfm s MET 153 CO 0.45 -0.29 0.21 -1.54 -0.65 0.00 0.00 175.02 173.20 2wfm s SER 154 N 1.75 5.80 0.03 1.11 1.04 -0.41 -4.38 113.70 118.63 2wfm s SER 154 Ca 0.05 -0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.43 2wfm s SER 154 Cb -0.13 -1.58 -0.02 0.00 0.10 0.00 0.00 66.02 64.39 2wfm s SER 154 CO -0.08 0.02 -0.10 0.00 0.98 0.00 0.00 173.24 174.06 2wfm s MET 155 N -3.44 0.69 -0.05 4.02 0.23 0.83 -1.92 119.30 119.67 2wfm s MET 155 Ca 0.33 -0.59 0.05 0.00 -1.03 0.00 0.00 55.69 54.45 2wfm s MET 155 Cb -0.10 -0.62 -0.01 0.00 -1.53 0.00 0.00 34.83 32.57 2wfm s MET 155 CO 0.26 0.15 -0.22 0.96 -2.03 0.00 0.00 175.02 174.14 2wfm s ILE 156 N -0.77 1.83 0.13 3.16 -4.36 -0.43 -0.81 121.20 119.95 2wfm s ILE 156 Ca -0.01 -0.94 -0.30 0.00 -0.26 0.00 0.00 60.65 59.13 2wfm s ILE 156 Cb -0.07 -1.55 -0.07 0.00 1.25 0.00 0.00 42.46 42.02 2wfm s ILE 156 CO 0.01 0.51 1.20 -0.76 0.24 0.00 0.00 174.94 176.14 2wfm s LEU 157 N -0.09 4.42 0.42 0.37 1.43 -1.26 -2.39 118.68 121.58 2wfm s LEU 157 Ca -0.04 2.14 -0.18 0.00 -1.03 0.00 0.00 54.13 55.01 2wfm s LEU 157 Cb -0.13 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.40 2wfm s LEU 157 CO 0.03 -0.41 0.90 -0.83 0.23 0.00 0.00 176.35 176.27 2wfm s GLY 158 N 0.53 2.30 0.34 -3.19 0.00 -1.26 -4.84 107.32 101.21 2wfm s GLY 158 Ca 0.55 0.26 0.08 0.00 0.00 0.00 0.00 44.72 45.62 2wfm s GLY 158 CO 0.33 0.52 1.81 -0.56 0.00 0.00 0.00 173.10 175.20 2wfm h PRO 159 N 1.78 0.23 -0.26 2.90 0.13 -1.96 -0.24 132.00 134.59 2wfm h PRO 159 Ca -0.48 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 64.50 2wfm h PRO 159 Cb 1.18 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2wfm h PRO 159 CO 0.62 0.49 -0.10 1.96 -0.23 0.00 0.00 178.00 180.73 2wfm h GLN 160 N 0.21 0.53 -0.29 0.86 1.08 -1.95 0.16 115.11 115.72 2wfm h GLN 160 Ca 0.03 -0.22 0.05 0.00 -1.45 0.00 0.00 58.65 57.06 2wfm h GLN 160 Cb 0.59 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.95 2wfm h GLN 160 CO 0.04 0.77 -0.03 0.35 -0.95 0.00 0.00 178.83 179.02 2wfm h PHE 161 N 0.27 -0.07 -0.20 2.96 3.57 -1.77 -0.22 116.94 121.48 2wfm h PHE 161 Ca 0.06 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2wfm h PHE 161 Cb 0.60 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 2wfm h PHE 161 CO 0.06 -0.08 0.12 0.52 -2.23 0.00 0.00 178.31 176.70 2wfm h MET 162 N 0.05 0.28 -0.40 1.11 2.86 -1.01 0.27 114.93 118.09 2wfm h MET 162 Ca 0.14 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2wfm h MET 162 Cb 0.20 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2wfm h MET 162 CO -0.26 0.22 0.25 0.00 1.06 0.00 0.00 176.91 178.19 2wfm h ALA 163 N 1.04 0.51 0.00 6.32 0.00 -0.68 0.82 119.26 127.26 2wfm h ALA 163 Ca 0.07 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2wfm h ALA 163 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2wfm h ALA 163 CO -0.01 -0.01 -1.72 1.28 0.00 0.00 0.00 179.25 178.78 2wfm n LEU 164 N -4.79 0.48 0.00 0.00 4.77 -0.12 -3.10 117.00 114.25 2wfm n LEU 164 Ca 0.00 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2wfm n LEU 164 Cb 0.04 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2wfm n LEU 164 CO 0.35 0.16 -0.09 0.29 -1.33 0.00 0.00 177.39 176.77 2wfm n LYS 165 N -2.70 4.80 -0.02 3.23 5.02 0.92 -4.64 118.16 124.78 2wfm n LYS 165 Ca -0.13 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.12 2wfm n LYS 165 Cb 0.82 -0.52 -0.02 0.00 -0.02 0.00 0.00 35.03 35.29 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 -0.92 0.10 -0.79 1.97 2.81 -1.02 -2.67 117.12 116.61 2wfm n MET 166 Ca 0.00 0.04 -0.02 0.00 -1.81 0.00 0.00 57.70 55.91 2wfm n MET 166 Cb 0.00 -0.78 0.26 0.00 -0.71 0.00 0.00 33.22 31.99 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 -3.06 1.66 0.29 2.03 3.72 0.25 -3.29 117.46 119.06 2wfm n PHE 167 Ca -0.09 -1.22 0.18 0.00 -0.05 0.00 0.00 57.45 56.27 2wfm n PHE 167 Cb 0.57 -0.53 0.80 0.00 -0.94 0.00 0.00 39.48 39.38 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 1.91 0.00 -0.32 -1.08 -0.00 -1.75 -0.80 115.11 113.07 2wfm h GLN 168 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.84 2wfm h GLN 168 Cb 1.91 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.39 2wfm h GLN 168 CO 0.50 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 179.42 2wfm n ASN 169 N -3.07 3.13 -4.96 0.06 3.02 -1.26 -4.98 115.26 107.20 2wfm n ASN 169 Ca -0.00 -1.91 -0.22 0.00 -0.03 0.00 0.00 54.58 52.42 2wfm n ASN 169 Cb 0.25 -0.20 -0.00 0.00 -0.61 0.00 0.00 39.78 39.22 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 -4.14 3.18 0.53 0.00 1.04 -1.26 -4.89 113.70 108.15 2wfm s SER 171 Ca 0.44 2.28 0.24 0.00 0.48 0.00 0.00 55.95 59.40 2wfm s SER 171 Cb -0.10 -2.58 1.47 0.00 0.10 0.00 0.00 66.02 64.92 2wfm s SER 171 CO 0.35 -2.94 2.13 -0.37 0.98 0.00 0.00 173.24 173.39 2wfm h VAL 172 N -1.45 0.71 -0.54 5.02 -1.51 -1.98 -2.61 116.25 113.88 2wfm h VAL 172 Ca -0.44 -0.32 -0.03 0.00 -1.23 0.00 0.00 66.70 64.68 2wfm h VAL 172 Cb 1.28 1.19 -0.02 0.00 -2.13 0.00 0.00 31.29 31.61 2wfm h VAL 172 CO 0.43 0.08 0.23 -0.33 -1.23 0.00 0.00 177.57 176.75 2wfm h GLU 173 N 0.00 0.81 -0.51 5.19 3.07 -1.99 -0.60 114.58 120.55 2wfm h GLU 173 Ca -0.00 -0.14 -0.12 0.00 -0.50 0.00 0.00 59.36 58.60 2wfm h GLU 173 Cb 0.18 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2wfm h GLU 173 CO 0.01 0.69 -0.16 -0.44 -1.40 0.00 0.00 179.01 177.71 2wfm h ASP 174 N 0.74 1.01 -0.57 1.42 3.32 -1.83 -0.56 116.42 119.95 2wfm h ASP 174 Ca 0.18 -0.36 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 2wfm h ASP 174 Cb 0.18 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2wfm h ASP 174 CO -0.02 1.15 0.18 0.25 -1.72 0.00 0.00 179.24 179.08 2wfm h LEU 175 N 0.87 0.83 -0.18 1.55 5.85 -1.35 -1.06 115.31 121.83 2wfm h LEU 175 Ca 0.12 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2wfm h LEU 175 Cb 0.73 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2wfm h LEU 175 CO 0.06 0.82 0.08 -0.08 -0.34 0.00 0.00 178.44 178.97 2wfm h GLU 176 N 0.80 0.17 -0.39 1.25 4.57 -0.81 -0.15 114.58 120.01 2wfm h GLU 176 Ca 0.18 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.43 2wfm h GLU 176 Cb 0.29 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.76 2wfm h GLU 176 CO -0.01 0.11 -0.14 1.25 -1.18 0.00 0.00 179.01 179.04 2wfm h LEU 177 N 0.18 -0.51 -0.49 1.64 5.85 -0.99 -1.62 115.31 119.37 2wfm h LEU 177 Ca 0.07 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.98 2wfm h LEU 177 Cb 0.02 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 2wfm h LEU 177 CO -0.06 -0.18 0.21 0.00 -0.34 0.00 0.00 178.44 178.08 2wfm h ALA 178 N 1.28 0.62 0.00 1.25 0.00 -0.74 -1.48 119.26 120.18 2wfm h ALA 178 Ca 0.19 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2wfm h ALA 178 Cb 0.36 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2wfm h ALA 178 CO -0.44 -0.16 -0.07 0.87 0.00 0.00 0.00 179.25 179.45 2wfm h LYS 179 N 0.42 0.00 0.00 0.00 1.57 -0.52 -0.73 116.57 117.31 2wfm h LYS 179 Ca 0.23 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2wfm h LYS 179 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2wfm h LYS 179 CO -0.19 0.07 -0.32 0.52 -0.57 0.00 0.00 179.45 178.96 2wfm h MET 180 N 0.00 0.00 0.00 3.15 2.86 -0.34 -3.39 114.93 117.21 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 0.16 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 2wfm h MET 180 CO 0.01 0.05 -1.18 1.28 1.06 0.00 0.00 176.91 178.12 2wfm n LEU 181 N -3.00 0.00 -4.77 1.22 4.77 -0.81 -5.02 117.00 109.39 2wfm n LEU 181 Ca 0.03 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.61 2wfm n LEU 181 Cb 0.56 0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.65 2wfm n LEU 181 CO 0.36 0.01 0.97 0.28 -1.33 0.00 0.00 177.39 177.68 2wfm s THR 182 N -2.26 2.61 0.25 -5.08 -1.32 -0.32 -4.72 115.64 104.79 2wfm s THR 182 Ca -0.01 0.55 0.07 0.00 -1.21 0.00 0.00 61.69 61.09 2wfm s THR 182 Cb 0.02 -3.33 -0.05 0.00 -1.51 0.00 0.00 72.50 67.63 2wfm s THR 182 CO 0.16 0.09 -0.10 -0.13 -2.21 0.00 0.00 174.62 172.43 2wfm s ARG 183 N -2.20 1.47 0.67 7.08 0.52 -1.19 -5.03 118.95 120.26 2wfm s ARG 183 Ca 0.56 -1.71 -0.17 0.00 -0.52 0.00 0.00 55.73 53.89 2wfm s ARG 183 Cb -0.38 -1.18 -0.02 0.00 0.52 0.00 0.00 34.95 33.89 2wfm s ARG 183 CO 0.50 0.11 0.99 -2.30 0.02 0.00 0.00 175.30 174.62 2wfm n PRO 184 N -0.51 0.72 -3.79 3.54 -0.02 -1.26 -4.47 135.00 129.22 2wfm n PRO 184 Ca -0.06 0.30 -0.14 0.00 -2.02 0.00 0.00 63.50 61.57 2wfm n PRO 184 Cb 0.62 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 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 1.17 2.50 3.31 -1.23 0.00 0.01 -4.75 105.19 106.20 2wfm n GLY 185 Ca 0.14 -1.68 -0.14 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.96 -0.38 0.00 1.61 0.15 -1.26 -0.12 113.70 110.75 2wfm s SER 186 Ca 0.29 0.57 0.28 0.00 0.70 0.00 0.00 55.95 57.79 2wfm s SER 186 Cb -0.00 0.64 1.10 0.00 -1.71 0.00 0.00 66.02 66.05 2wfm s SER 186 CO 0.21 -0.30 1.77 0.18 1.20 0.00 0.00 173.24 176.30 2wfm n LEU 187 N 2.10 1.34 -2.73 3.45 4.77 -1.26 -4.98 117.00 119.69 2wfm n LEU 187 Ca -0.17 -0.44 -0.17 0.00 -0.03 0.00 0.00 56.01 55.20 2wfm n LEU 187 Cb 0.57 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2wfm n LEU 187 CO 0.17 0.23 -0.12 0.49 -1.33 0.00 0.00 177.39 176.83 2wfm n PHE 188 N 0.02 -1.54 -0.09 -1.77 3.72 -1.26 -4.88 117.46 111.66 2wfm n PHE 188 Ca 0.19 0.17 -0.06 0.00 -0.05 0.00 0.00 57.45 57.70 2wfm n PHE 188 Cb 0.33 -3.10 -0.00 0.00 -0.94 0.00 0.00 39.48 35.78 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 -0.40 -0.15 0.00 1.38 3.57 -1.94 0.13 116.94 119.54 2wfm h PHE 189 Ca -0.37 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.07 2wfm h PHE 189 Cb 1.26 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 2wfm h PHE 189 CO 0.66 -0.13 -0.43 -0.56 -2.23 0.00 0.00 178.31 175.62 2wfm h GLN 190 N 0.01 0.00 0.13 1.11 -0.00 -1.91 0.11 115.11 114.56 2wfm h GLN 190 Ca 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.80 2wfm h GLN 190 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.72 2wfm h GLN 190 CO -0.33 0.43 -0.06 0.22 -0.00 0.00 0.00 178.83 179.10 2wfm h ASP 191 N 0.00 -0.15 -0.70 0.06 3.58 -1.19 -3.24 116.42 114.77 2wfm h ASP 191 Ca -0.00 -0.20 0.11 0.00 0.42 0.00 0.00 57.03 57.36 2wfm h ASP 191 Cb 0.93 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.98 2wfm h ASP 191 CO 0.06 0.12 0.47 -0.07 -2.88 0.00 0.00 179.24 176.93 2wfm h LEU 192 N -0.42 0.46 -2.49 2.28 3.38 -0.62 -1.12 115.31 116.79 2wfm h LEU 192 Ca -0.02 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2wfm h LEU 192 Cb 0.34 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2wfm h LEU 192 CO 0.03 0.27 0.11 0.00 0.09 0.00 0.00 178.44 178.93 2wfm h ALA 193 N 1.65 1.44 0.00 1.53 0.00 -0.81 -2.69 119.26 120.39 2wfm h ALA 193 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2wfm h ALA 193 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2wfm h ALA 193 CO -0.11 -0.14 -0.85 1.63 0.00 0.00 0.00 179.25 179.78 2wfm n LYS 194 N -3.49 2.12 -1.85 0.00 5.02 -0.48 -5.00 118.16 114.48 2wfm n LYS 194 Ca -0.01 -0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 55.88 2wfm n LYS 194 Cb 0.20 -1.17 0.05 0.00 -0.02 0.00 0.00 35.03 34.09 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 -2.41 2.49 0.41 7.82 0.00 -0.84 -4.99 121.76 124.23 2wfm s ALA 195 Ca 0.03 1.16 -0.26 0.00 0.00 0.00 0.00 51.96 52.88 2wfm s ALA 195 Cb 0.10 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 2wfm s ALA 195 CO 0.55 -1.42 1.31 0.15 0.00 0.00 0.00 175.76 176.36 2wfm s LYS 196 N -3.30 3.96 0.64 0.00 1.02 -1.26 -4.82 119.74 115.97 2wfm s LYS 196 Ca 0.80 2.18 -0.10 0.00 0.02 0.00 0.00 55.97 58.87 2wfm s LYS 196 Cb -0.35 -2.76 -0.01 0.00 -0.52 0.00 0.00 37.83 34.19 2wfm s LYS 196 CO 0.38 -0.51 1.01 -1.59 -0.92 0.00 0.00 175.35 173.72 2wfm s LYS 197 N -2.25 3.13 0.95 1.68 -2.85 -1.26 -4.90 119.74 114.24 2wfm s LYS 197 Ca 0.57 0.41 -0.12 0.00 -1.00 0.00 0.00 55.97 55.84 2wfm s LYS 197 Cb -0.38 -2.12 0.16 0.00 -2.06 0.00 0.00 37.83 33.42 2wfm s LYS 197 CO 0.50 -0.77 1.09 -0.06 0.10 0.00 0.00 175.35 176.21 2wfm s PHE 198 N -3.18 2.05 0.17 1.78 0.08 -1.26 -5.06 117.98 112.56 2wfm s PHE 198 Ca 0.55 1.29 0.09 0.00 0.12 0.00 0.00 56.93 58.99 2wfm s PHE 198 Cb -0.11 -3.18 -0.04 0.00 -0.57 0.00 0.00 43.02 39.12 2wfm s PHE 198 CO 0.50 -2.73 -0.20 -1.54 -0.10 0.00 0.00 175.22 171.15 2wfm s SER 199 N -3.18 2.90 0.28 1.36 1.04 -1.26 -4.58 113.70 110.26 2wfm s SER 199 Ca 0.65 -0.86 0.03 0.00 0.48 0.00 0.00 55.95 56.25 2wfm s SER 199 Cb -0.20 -0.19 0.40 0.00 0.10 0.00 0.00 66.02 66.14 2wfm s SER 199 CO 0.58 0.02 1.71 0.71 0.98 0.00 0.00 173.24 177.24 2wfm h THR 200 N 3.27 1.27 -0.39 2.02 1.35 -1.94 -0.96 112.91 117.52 2wfm h THR 200 Ca -0.44 -1.30 0.01 0.00 -0.55 0.00 0.00 66.41 64.14 2wfm h THR 200 Cb 1.21 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.98 2wfm h THR 200 CO 0.50 0.41 0.25 -0.33 -0.25 0.00 0.00 175.52 176.10 2wfm h GLU 201 N 0.41 0.50 0.00 4.72 3.07 -1.96 -2.82 114.58 118.51 2wfm h GLU 201 Ca 0.06 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2wfm h GLU 201 Cb 0.69 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 2wfm h GLU 201 CO 0.05 0.33 0.00 0.54 -1.40 0.00 0.00 179.01 178.53 2wfm n ARG 202 N -4.83 0.00 -0.21 2.33 1.74 -1.20 -4.15 116.66 110.33 2wfm n ARG 202 Ca 0.01 0.01 0.01 0.00 -0.77 0.00 0.00 57.85 57.11 2wfm n ARG 202 Cb 0.03 -0.14 0.10 0.00 -1.02 0.00 0.00 32.46 31.43 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 -0.10 0.00 -1.55 3.20 -1.54 -1.66 116.97 115.32 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 -0.20 0.00 0.41 -1.64 0.00 0.00 178.16 176.73 2wfm n GLY 204 N -1.39 -0.72 0.02 1.82 0.00 -0.40 -2.54 105.19 101.98 2wfm n GLY 204 Ca 0.09 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.20 0.62 -4.73 1.61 3.41 -0.62 -4.89 113.62 107.81 2wfm n SER 205 Ca 0.09 -0.28 -0.40 0.00 -0.26 0.00 0.00 58.87 58.02 2wfm n SER 205 Cb 0.11 0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 64.50 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 -3.08 4.89 0.29 -3.33 1.01 -1.05 -5.02 120.40 114.11 2wfm s VAL 206 Ca 0.08 1.55 -0.30 0.00 0.00 0.00 0.00 61.98 63.31 2wfm s VAL 206 Cb 0.16 -4.08 -0.12 0.00 0.00 0.00 0.00 36.38 32.34 2wfm s VAL 206 CO 0.75 0.31 1.60 1.17 0.00 0.00 0.00 175.10 178.93 2wfm n LYS 207 N 3.27 2.71 -4.44 2.72 4.81 -1.26 -4.90 118.16 121.07 2wfm n LYS 207 Ca -0.02 0.96 -0.30 0.00 -0.87 0.00 0.00 58.31 58.08 2wfm n LYS 207 Cb 0.51 -2.75 -0.11 0.00 0.02 0.00 0.00 35.03 32.69 2wfm n LYS 207 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2wfm s ARG 208 N -0.51 2.07 0.08 1.64 0.52 -1.26 -1.18 118.95 120.30 2wfm s ARG 208 Ca 0.64 -1.01 0.04 0.00 -0.52 0.00 0.00 55.73 54.88 2wfm s ARG 208 Cb -0.49 -2.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 2wfm s ARG 208 CO 0.49 0.52 -0.11 0.00 0.02 0.00 0.00 175.30 176.22 2wfm s ALA 209 N -1.06 1.05 -0.05 2.13 0.00 -0.18 -1.52 121.76 122.12 2wfm s ALA 209 Ca 0.17 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 51.09 2wfm s ALA 209 Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.02 2wfm s ALA 209 CO 0.09 0.01 -0.16 -0.47 0.00 0.00 0.00 175.76 175.23 2wfm s TYR 210 N -2.03 1.69 -0.19 0.00 5.04 -0.42 -0.60 117.35 120.85 2wfm s TYR 210 Ca 0.02 -0.53 -0.02 0.00 -2.44 0.00 0.00 57.07 54.09 2wfm s TYR 210 Cb -0.05 -1.16 -0.00 0.00 0.35 0.00 0.00 41.96 41.09 2wfm s TYR 210 CO 0.01 -0.21 -0.10 0.42 -1.34 0.00 0.00 175.55 174.33 2wfm s ILE 211 N 0.20 3.03 0.09 3.14 1.01 -0.01 -0.09 121.20 128.57 2wfm s ILE 211 Ca -0.07 -0.62 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 2wfm s ILE 211 Cb -0.13 -2.34 -0.06 0.00 0.01 0.00 0.00 42.46 39.95 2wfm s ILE 211 CO 0.03 0.47 0.92 -0.36 0.00 0.00 0.00 174.94 176.00 2wfm s PHE 212 N 1.15 3.79 -0.45 3.97 0.08 0.30 -1.68 117.98 125.13 2wfm s PHE 212 Ca 0.01 1.72 -0.10 0.00 0.12 0.00 0.00 56.93 58.68 2wfm s PHE 212 Cb -0.14 -3.00 0.10 0.00 -0.57 0.00 0.00 43.02 39.40 2wfm s PHE 212 CO -0.03 0.21 0.32 0.00 -0.10 0.00 0.00 175.22 175.62 2wfm h ASN 214 N 8.48 0.00 -0.64 0.00 4.21 -1.41 -2.73 115.58 123.49 2wfm h ASN 214 Ca -0.23 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.08 2wfm h ASN 214 Cb 1.08 0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 38.16 2wfm h ASN 214 CO 0.82 0.28 0.22 -0.62 -1.29 0.00 0.00 177.43 176.83 2wfm n GLU 215 N -3.71 3.30 -2.39 0.81 1.02 -0.36 -4.57 120.64 114.73 2wfm n GLU 215 Ca -0.01 -3.07 -0.43 0.00 -0.02 0.00 0.00 57.16 53.63 2wfm n GLU 215 Cb 0.38 -2.12 -0.02 0.00 -0.02 0.00 0.00 31.44 29.67 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 -1.37 6.58 0.00 1.62 -1.08 -1.03 -4.43 116.67 116.96 2wfm s ASP 216 Ca 0.52 1.12 0.26 0.00 -0.52 0.00 0.00 52.55 53.93 2wfm s ASP 216 Cb 0.43 -2.54 0.60 0.00 -1.46 0.00 0.00 42.92 39.95 2wfm s ASP 216 CO 0.11 -1.17 1.47 0.29 0.52 0.00 0.00 175.17 176.39 2wfm n LYS 217 N 7.52 0.87 0.00 4.34 5.02 -1.25 -3.53 118.16 131.13 2wfm n LYS 217 Ca 0.15 -0.56 0.11 0.00 -2.02 0.00 0.00 58.31 55.99 2wfm n LYS 217 Cb 0.47 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.84 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 -0.57 0.11 -3.23 4.39 3.41 -1.09 -4.69 113.62 111.94 2wfm n SER 218 Ca 0.11 -0.01 -0.22 0.00 -0.26 0.00 0.00 58.87 58.49 2wfm n SER 218 Cb 0.37 1.82 -0.07 0.00 -0.26 0.00 0.00 64.21 66.07 2wfm n SER 218 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2wfm n PHE 219 N -2.26 -1.53 -1.57 7.33 7.35 -1.25 -5.12 117.46 120.41 2wfm n PHE 219 Ca -0.03 -2.90 -0.37 0.00 -0.76 0.00 0.00 57.45 53.38 2wfm n PHE 219 Cb 0.56 0.49 0.06 0.00 0.35 0.00 0.00 39.48 40.94 2wfm n PHE 219 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2wfm n PRO 220 N 2.71 0.80 -0.13 -7.13 -0.02 -1.23 -4.72 135.00 125.27 2wfm n PRO 220 Ca 0.26 0.32 0.10 0.00 -2.02 0.00 0.00 63.50 62.16 2wfm n PRO 220 Cb 0.50 -2.18 0.44 0.00 -0.02 0.00 0.00 33.50 32.25 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 0.29 0.93 -0.13 -1.45 -1.51 -1.80 -0.93 116.25 111.64 2wfm h VAL 221 Ca -0.48 -0.19 0.04 0.00 -1.23 0.00 0.00 66.70 64.84 2wfm h VAL 221 Cb 1.36 0.34 -0.01 0.00 -2.13 0.00 0.00 31.29 30.86 2wfm h VAL 221 CO 0.50 0.10 0.16 -0.33 -1.23 0.00 0.00 177.57 176.77 2wfm h GLU 222 N 0.54 0.00 0.15 5.19 3.07 -1.96 0.14 114.58 121.70 2wfm h GLU 222 Ca 0.30 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.93 2wfm h GLU 222 Cb 0.46 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.40 2wfm h GLU 222 CO -0.10 0.00 -0.99 0.35 -1.40 0.00 0.00 179.01 176.88 2wfm h PHE 223 N 0.00 0.71 -0.45 4.33 3.04 -1.50 -2.40 116.94 120.67 2wfm h PHE 223 Ca 0.06 -0.49 -0.08 0.00 3.98 0.00 0.00 57.97 61.44 2wfm h PHE 223 Cb 0.38 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 2wfm h PHE 223 CO 0.00 1.37 -0.03 1.96 -2.02 0.00 0.00 178.31 179.59 2wfm h GLN 224 N -0.15 0.76 -0.49 1.11 4.20 -1.18 -2.23 115.11 117.13 2wfm h GLN 224 Ca -0.17 -0.21 -0.11 0.00 0.06 0.00 0.00 58.65 58.22 2wfm h GLN 224 Cb 1.76 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.43 2wfm h GLN 224 CO 0.19 0.79 -0.13 0.87 -0.67 0.00 0.00 178.83 179.88 2wfm h LYS 225 N 0.71 0.92 -0.67 1.46 1.57 -1.05 -2.41 116.57 117.09 2wfm h LYS 225 Ca 0.13 -0.34 0.09 0.00 -1.87 0.00 0.00 60.65 58.66 2wfm h LYS 225 Cb 0.48 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.66 2wfm h LYS 225 CO 0.02 0.99 0.33 2.35 -0.57 0.00 0.00 179.45 182.57 2wfm h TRP 226 N 0.82 0.58 -0.18 -1.35 7.01 -0.87 0.11 115.95 122.07 2wfm h TRP 226 Ca 0.13 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.17 2wfm h TRP 226 Cb 0.67 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 2wfm h TRP 226 CO 0.04 0.21 0.06 0.74 -2.79 0.00 0.00 178.44 176.70 2wfm h PHE 227 N 0.57 0.10 -0.69 2.65 0.04 -0.98 0.16 116.94 118.79 2wfm h PHE 227 Ca 0.33 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 61.08 2wfm h PHE 227 Cb 0.34 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 2wfm h PHE 227 CO -0.11 0.05 0.30 0.28 -0.60 0.00 0.00 178.31 178.22 2wfm h VAL 228 N 0.14 1.23 0.03 -0.55 2.07 -0.99 -0.68 116.25 117.51 2wfm h VAL 228 Ca 0.08 -0.69 -0.23 0.00 0.82 0.00 0.00 66.70 66.68 2wfm h VAL 228 Cb 0.05 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2wfm h VAL 228 CO -0.08 0.28 -1.00 -0.33 0.02 0.00 0.00 177.57 176.46 2wfm h GLU 229 N 0.98 0.29 0.00 1.57 5.08 -0.33 -0.71 114.58 121.47 2wfm h GLU 229 Ca 0.23 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2wfm h GLU 229 Cb 0.15 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2wfm h GLU 229 CO -0.03 1.08 -1.43 -1.13 -1.00 0.00 0.00 179.01 176.51 2wfm n SER 230 N -3.65 0.54 -0.05 1.42 3.41 0.51 -4.55 113.62 111.24 2wfm n SER 230 Ca -0.06 0.21 -0.08 0.00 -0.26 0.00 0.00 58.87 58.68 2wfm n SER 230 Cb 0.88 0.96 -0.04 0.00 -0.26 0.00 0.00 64.21 65.74 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 -2.56 0.57 0.00 -3.33 0.31 -0.27 -5.08 118.33 107.97 2wfm n VAL 231 Ca -0.03 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2wfm n VAL 231 Cb 0.61 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 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 2.83 -0.69 3.09 2.92 0.00 -0.27 -5.05 105.19 108.01 2wfm n GLY 232 Ca -0.19 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.62 0.62 0.12 4.61 0.00 -1.26 -4.94 121.76 118.28 2wfm s ALA 233 Ca 0.00 -1.00 0.28 0.00 0.00 0.00 0.00 51.96 51.24 2wfm s ALA 233 Cb 0.00 0.13 1.09 0.00 0.00 0.00 0.00 23.12 24.35 2wfm s ALA 233 CO 0.00 -0.17 1.89 -0.44 0.00 0.00 0.00 175.76 177.04 2wfm h ASP 234 N 3.81 0.00 -3.22 0.00 3.32 -1.67 -3.44 116.42 115.23 2wfm h ASP 234 Ca -0.35 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.57 2wfm h ASP 234 Cb 1.18 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.46 2wfm h ASP 234 CO 0.53 0.13 -0.35 -0.75 -1.72 0.00 0.00 179.24 177.08 2wfm s LYS 235 N -3.67 0.34 -0.03 3.56 2.20 -1.23 -5.06 119.74 115.87 2wfm s LYS 235 Ca 0.01 0.74 0.03 0.00 -0.36 0.00 0.00 55.97 56.39 2wfm s LYS 235 Cb 0.10 -0.03 -0.00 0.00 -1.51 0.00 0.00 37.83 36.38 2wfm s LYS 235 CO 0.60 -0.17 -0.12 0.54 -0.36 0.00 0.00 175.35 175.84 2wfm s VAL 236 N 1.43 1.02 0.16 4.02 0.11 -1.26 -1.30 120.40 124.59 2wfm s VAL 236 Ca -0.09 -0.51 0.07 0.00 -2.93 0.00 0.00 61.98 58.52 2wfm s VAL 236 Cb -0.09 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 2wfm s VAL 236 CO -0.12 0.30 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.27 2wfm s LYS 237 N 0.01 1.19 -0.00 1.54 1.02 0.87 -4.97 119.74 119.39 2wfm s LYS 237 Ca -0.01 -1.43 0.03 0.00 0.02 0.00 0.00 55.97 54.57 2wfm s LYS 237 Cb -0.08 -1.02 -0.01 0.00 -0.52 0.00 0.00 37.83 36.20 2wfm s LYS 237 CO 0.01 0.18 -0.08 -1.83 -0.92 0.00 0.00 175.35 172.70 2wfm s GLU 238 N -3.23 0.67 -0.28 1.68 -1.05 -1.26 0.11 118.70 115.34 2wfm s GLU 238 Ca 0.16 -0.33 -0.01 0.00 -0.15 0.00 0.00 54.97 54.64 2wfm s GLU 238 Cb -0.02 -0.64 0.04 0.00 -0.44 0.00 0.00 34.13 33.07 2wfm s GLU 238 CO 0.05 0.17 -0.03 0.42 0.95 0.00 0.00 175.26 176.82 2wfm s ILE 239 N -0.27 2.87 0.28 1.83 1.01 0.14 -4.90 121.20 122.16 2wfm s ILE 239 Ca 0.03 -1.28 0.08 0.00 0.00 0.00 0.00 60.65 59.48 2wfm s ILE 239 Cb -0.04 -2.58 0.01 0.00 0.01 0.00 0.00 42.46 39.86 2wfm s ILE 239 CO -0.00 0.01 1.66 0.11 0.00 0.00 0.00 174.94 176.72 2wfm h LYS 240 N 7.98 0.15 -0.11 2.79 1.57 -1.98 -1.99 116.57 124.98 2wfm h LYS 240 Ca -0.25 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2wfm h LYS 240 Cb 1.08 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2wfm h LYS 240 CO 0.54 0.62 0.00 0.39 -0.57 0.00 0.00 179.45 180.43 2wfm n GLU 241 N -3.94 2.00 -2.64 3.15 1.02 -1.26 -3.98 120.64 114.99 2wfm n GLU 241 Ca -0.02 -2.69 -0.41 0.00 -0.02 0.00 0.00 57.16 54.02 2wfm n GLU 241 Cb 0.54 -1.65 -0.04 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.85 3.30 0.69 0.62 0.00 -1.20 -4.86 121.76 117.47 2wfm s ALA 242 Ca 0.36 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.00 2wfm s ALA 242 Cb 0.31 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2wfm s ALA 242 CO 0.06 -0.10 0.00 -0.40 0.00 0.00 0.00 175.76 175.32 2wfm n ASP 243 N 2.59 0.00 0.22 0.00 5.68 -1.26 -1.23 116.55 122.56 2wfm n ASP 243 Ca 0.02 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.38 2wfm n ASP 243 Cb 0.48 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.03 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 -1.69 1.87 -1.84 2.12 0.00 -1.78 -3.26 119.26 114.67 2wfm h ALA 244 Ca 0.00 -0.06 -0.76 0.00 0.00 0.00 0.00 54.91 54.09 2wfm h ALA 244 Cb 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 17.79 17.45 2wfm h ALA 244 CO 0.00 0.10 0.50 -1.33 0.00 0.00 0.00 179.25 178.52 2wfm n MET 245 N -4.46 4.28 0.19 0.00 2.81 -1.21 -4.83 117.12 113.90 2wfm n MET 245 Ca -0.02 -4.63 0.04 0.00 -1.81 0.00 0.00 57.70 51.28 2wfm n MET 245 Cb 0.14 -2.44 0.37 0.00 -0.71 0.00 0.00 33.22 30.58 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 4.76 0.00 2.00 3.03 0.00 -1.92 0.57 103.07 111.51 2wfm h GLY 246 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2wfm h GLY 246 CO 1.18 0.00 0.00 1.15 0.00 0.00 0.00 176.54 178.87 2wfm n MET 247 N -3.91 0.13 -0.03 4.80 0.00 -1.26 0.58 117.12 117.42 2wfm n MET 247 Ca -0.02 0.50 -0.03 0.00 0.00 0.00 0.00 57.70 58.15 2wfm n MET 247 Cb 0.43 -1.82 -0.04 0.00 0.00 0.00 0.00 33.22 31.79 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 -2.07 0.19 0.03 3.17 4.77 0.03 -3.99 117.00 119.14 2wfm n LEU 248 Ca 0.01 -0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 2wfm n LEU 248 Cb 0.12 0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.23 2wfm n LEU 248 CO 0.13 0.17 -0.26 0.77 -1.33 0.00 0.00 177.39 176.87 2wfm h SER 249 N 0.00 0.00 -0.99 -1.43 4.64 -1.02 -3.42 113.55 111.33 2wfm h SER 249 Ca -0.15 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.81 2wfm h SER 249 Cb 1.34 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.06 2wfm h SER 249 CO 0.01 0.69 -1.09 0.00 -0.87 0.00 0.00 176.83 175.56 2wfm n GLN 250 N -2.98 1.12 -0.24 4.77 1.13 0.20 -4.95 117.38 116.43 2wfm n GLN 250 Ca -0.10 -3.08 -0.01 0.00 -1.94 0.00 0.00 57.00 51.87 2wfm n GLN 250 Cb 0.88 -1.16 0.20 0.00 0.11 0.00 0.00 30.24 30.28 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 2.89 1.05 -0.61 -1.09 0.13 -1.67 -0.96 132.00 131.74 2wfm h PRO 251 Ca -0.10 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2wfm h PRO 251 Cb 1.17 -0.23 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 2wfm h PRO 251 CO 0.43 0.73 0.36 0.00 -0.23 0.00 0.00 178.00 179.29 2wfm h ARG 252 N 1.08 0.84 -0.53 0.86 3.08 -1.91 -0.41 114.38 117.39 2wfm h ARG 252 Ca 0.28 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 2wfm h ARG 252 Cb -0.07 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 2wfm h ARG 252 CO -0.06 0.61 0.11 0.93 -1.07 0.00 0.00 179.97 180.49 2wfm h GLU 253 N 0.83 0.86 -0.43 0.04 4.39 -1.76 0.14 114.58 118.65 2wfm h GLU 253 Ca 0.22 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.72 2wfm h GLU 253 Cb -0.01 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 2wfm h GLU 253 CO -0.04 0.83 0.25 0.28 -1.16 0.00 0.00 179.01 179.16 2wfm h VAL 254 N 0.75 1.04 -0.08 3.13 2.07 -1.02 -0.21 116.25 121.93 2wfm h VAL 254 Ca 0.16 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2wfm h VAL 254 Cb 0.37 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2wfm h VAL 254 CO 0.01 0.09 0.02 0.00 0.02 0.00 0.00 177.57 177.70 2wfm h LYS 256 N 0.05 0.09 -0.56 0.00 1.79 -0.45 -0.04 116.57 117.45 2wfm h LYS 256 Ca 0.03 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 2wfm h LYS 256 Cb 0.03 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 2wfm h LYS 256 CO -0.04 0.06 0.29 0.00 -1.08 0.00 0.00 179.45 178.67 2wfm h LEU 258 N 0.75 0.97 -0.39 0.00 5.85 -0.55 -0.12 115.31 121.82 2wfm h LEU 258 Ca 0.19 -0.28 -0.18 0.00 0.84 0.00 0.00 57.88 58.46 2wfm h LEU 258 Cb 0.08 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 2wfm h LEU 258 CO -0.03 1.04 -0.62 -0.07 -0.34 0.00 0.00 178.44 178.42 2wfm h LEU 259 N 0.90 0.73 0.56 2.25 3.38 -0.92 -2.00 115.31 120.21 2wfm h LEU 259 Ca 0.16 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2wfm h LEU 259 Cb 0.56 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2wfm h LEU 259 CO 0.03 1.17 -0.29 0.44 0.09 0.00 0.00 178.44 179.88 2wfm h ASP 260 N 0.48 -0.72 -0.94 -0.43 3.32 -1.09 -1.42 116.42 115.62 2wfm h ASP 260 Ca -0.01 0.03 0.15 0.00 0.02 0.00 0.00 57.03 57.23 2wfm h ASP 260 Cb 1.20 0.20 -0.08 0.00 0.22 0.00 0.00 39.33 40.86 2wfm h ASP 260 CO 0.12 -0.48 0.60 0.40 -1.72 0.00 0.00 179.24 178.15 2wfm h ILE 261 N -0.79 0.81 0.01 0.35 2.04 -1.03 -3.06 117.51 115.84 2wfm h ILE 261 Ca -0.07 -0.25 -0.26 0.00 1.00 0.00 0.00 64.86 65.27 2wfm h ILE 261 Cb 0.62 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 2wfm h ILE 261 CO 0.10 0.14 -1.44 0.77 0.00 0.00 0.00 178.15 177.71 2wfm h SER 262 N 0.74 0.02 -0.01 1.72 4.64 -1.29 -3.51 113.55 115.86 2wfm h SER 262 Ca 0.49 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2wfm h SER 262 Cb 0.76 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2wfm h SER 262 CO -0.25 1.03 0.00 0.47 -0.87 0.00 0.00 176.83 177.21