#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wiq s GLY 3 N 0.00 -0.04 0.00 8.31 0.00 -1.26 -4.80 107.32 109.53 2wiq s GLY 3 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.44 2wiq s GLY 3 CO 0.00 -0.30 0.00 0.61 0.00 0.00 0.00 173.10 173.41 2wiq n GLY 4 N -0.34 1.70 0.43 0.20 0.00 -0.69 -3.34 105.19 103.16 2wiq n GLY 4 Ca -0.09 -0.62 0.24 0.00 0.00 0.00 0.00 46.02 45.54 2wiq n GLY 4 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wiq h PRO 5 N 0.00 0.23 -0.73 1.61 0.11 -1.91 -0.73 132.00 130.58 2wiq h PRO 5 Ca 0.00 -0.01 0.20 0.00 0.11 0.00 0.00 66.00 66.30 2wiq h PRO 5 Cb 0.00 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.02 2wiq h PRO 5 CO 0.00 0.15 0.52 0.00 -0.21 0.00 0.00 178.00 178.46 2wiq h ALA 6 N 1.58 2.59 0.00 -0.75 0.00 -1.94 0.41 119.26 121.15 2wiq h ALA 6 Ca 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2wiq h ALA 6 Cb 1.48 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2wiq h ALA 6 CO -0.13 -0.80 0.00 1.28 0.00 0.00 0.00 179.25 179.60 2wiq n LEU 7 N -4.35 0.70 -0.83 0.00 4.32 -0.28 -3.58 117.00 112.98 2wiq n LEU 7 Ca 0.15 0.61 0.07 0.00 -0.02 0.00 0.00 56.01 56.82 2wiq n LEU 7 Cb 0.76 -0.45 0.20 0.00 -1.62 0.00 0.00 43.42 42.31 2wiq n LEU 7 CO 0.37 -0.35 0.67 0.49 -1.22 0.00 0.00 177.39 177.35 2wiq n PHE 8 N -2.21 0.65 0.88 -1.77 3.72 0.13 -4.57 117.46 114.29 2wiq n PHE 8 Ca 0.04 -0.54 0.10 0.00 -0.05 0.00 0.00 57.45 57.00 2wiq n PHE 8 Cb 0.33 -0.06 0.49 0.00 -0.94 0.00 0.00 39.48 39.29 2wiq n PHE 8 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2wiq n GLN 9 N 0.62 0.19 -3.66 -1.08 1.13 -1.20 -4.82 117.38 108.56 2wiq n GLN 9 Ca 0.15 0.11 -0.22 0.00 -1.94 0.00 0.00 57.00 55.11 2wiq n GLN 9 Cb 0.53 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.35 2wiq n GLN 9 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2wiq n SER 10 N -1.37 2.75 -4.77 1.08 3.41 -1.26 -4.84 113.62 108.62 2wiq n SER 10 Ca 0.08 -2.52 -0.38 0.00 -0.26 0.00 0.00 58.87 55.79 2wiq n SER 10 Cb 0.19 0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 2wiq n SER 10 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2wiq s ASP 11 N -3.14 7.35 0.08 4.04 1.01 -1.26 -3.72 116.67 121.03 2wiq s ASP 11 Ca 0.08 1.92 -0.04 0.00 0.71 0.00 0.00 52.55 55.23 2wiq s ASP 11 Cb -0.01 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2wiq s ASP 11 CO 0.05 -0.06 0.06 -0.04 0.21 0.00 0.00 175.17 175.38 2wiq s MET 12 N -1.83 0.74 0.40 8.23 -1.94 0.12 -4.96 119.30 120.05 2wiq s MET 12 Ca 0.48 -1.17 0.06 0.00 -1.71 0.00 0.00 55.69 53.35 2wiq s MET 12 Cb -0.22 0.26 -0.07 0.00 2.01 0.00 0.00 34.83 36.81 2wiq s MET 12 CO 0.28 -0.19 0.02 0.95 -0.01 0.00 0.00 175.02 176.07 2wiq s THR 13 N -3.92 1.78 0.10 2.05 -4.23 -0.47 0.11 115.64 111.05 2wiq s THR 13 Ca 0.09 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.47 2wiq s THR 13 Cb 0.07 -2.91 0.02 0.00 1.34 0.00 0.00 72.50 71.02 2wiq s THR 13 CO -0.08 0.00 0.30 0.72 -0.54 0.00 0.00 174.62 175.02 2wiq s PHE 14 N -2.84 -0.04 -0.01 3.99 -0.71 -0.65 -1.80 117.98 115.92 2wiq s PHE 14 Ca 0.34 -0.31 -0.01 0.00 -1.04 0.00 0.00 56.93 55.90 2wiq s PHE 14 Cb 0.09 0.11 0.00 0.00 -1.21 0.00 0.00 43.02 42.01 2wiq s PHE 14 CO 0.17 -0.61 0.03 0.21 -1.34 0.00 0.00 175.22 173.67 2wiq s LYS 15 N -3.71 0.06 -0.04 1.99 2.47 -0.63 -2.35 119.74 117.52 2wiq s LYS 15 Ca 0.03 0.01 0.02 0.00 -1.56 0.00 0.00 55.97 54.47 2wiq s LYS 15 Cb 0.03 0.03 0.01 0.00 -1.46 0.00 0.00 37.83 36.44 2wiq s LYS 15 CO -0.11 -0.01 -0.09 0.42 0.16 0.00 0.00 175.35 175.73 2wiq s ILE 16 N -0.06 0.83 -0.24 5.43 1.01 0.62 -1.02 121.20 127.77 2wiq s ILE 16 Ca -0.01 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.32 2wiq s ILE 16 Cb -0.01 -0.77 0.04 0.00 0.01 0.00 0.00 42.46 41.73 2wiq s ILE 16 CO 0.00 0.28 -0.11 -0.36 0.00 0.00 0.00 174.94 174.74 2wiq s PHE 17 N 0.56 3.08 -0.22 3.97 0.08 0.19 -1.40 117.98 124.23 2wiq s PHE 17 Ca -0.10 -1.88 -0.06 0.00 0.12 0.00 0.00 56.93 55.01 2wiq s PHE 17 Cb -0.13 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.31 2wiq s PHE 17 CO 0.01 -0.81 0.04 0.42 -0.10 0.00 0.00 175.22 174.79 2wiq s ILE 18 N 1.23 4.26 -0.42 0.64 1.01 0.58 -1.11 121.20 127.39 2wiq s ILE 18 Ca -0.02 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.34 2wiq s ILE 18 Cb -0.17 -2.96 0.08 0.00 0.01 0.00 0.00 42.46 39.43 2wiq s ILE 18 CO -0.07 0.39 0.26 -0.62 0.00 0.00 0.00 174.94 174.90 2wiq s ASP 19 N 1.19 5.60 0.24 3.58 2.15 0.03 -1.25 116.67 128.21 2wiq s ASP 19 Ca 0.04 -1.56 0.06 0.00 0.43 0.00 0.00 52.55 51.52 2wiq s ASP 19 Cb -0.14 -1.97 -0.05 0.00 -0.30 0.00 0.00 42.92 40.45 2wiq s ASP 19 CO 0.03 -0.54 -0.07 -0.83 -0.17 0.00 0.00 175.17 173.58 2wiq s GLY 20 N 2.12 1.60 -0.03 2.66 0.00 0.04 -1.33 107.32 112.38 2wiq s GLY 20 Ca 0.03 -1.78 -0.04 0.00 0.00 0.00 0.00 44.72 42.93 2wiq s GLY 20 CO 0.01 -1.76 0.11 -1.83 0.00 0.00 0.00 173.10 169.64 2wiq s GLU 21 N -3.74 0.20 -0.15 2.90 4.04 -0.74 -0.59 118.70 120.61 2wiq s GLU 21 Ca 0.26 0.03 0.02 0.00 0.04 0.00 0.00 54.97 55.32 2wiq s GLU 21 Cb 0.03 0.09 0.01 0.00 0.02 0.00 0.00 34.13 34.29 2wiq s GLU 21 CO 0.09 -0.03 -0.20 0.54 -1.84 0.00 0.00 175.26 173.81 2wiq s VAL 22 N -0.26 1.99 -1.40 1.83 0.11 -0.66 -0.24 120.40 121.76 2wiq s VAL 22 Ca -0.03 -0.92 -0.03 0.00 -2.93 0.00 0.00 61.98 58.07 2wiq s VAL 22 Cb -0.02 -1.78 0.00 0.00 -1.53 0.00 0.00 36.38 33.05 2wiq s VAL 22 CO 0.00 0.53 0.38 0.59 -3.33 0.00 0.00 175.10 173.28 2wiq n ASN 23 N 4.32 -0.61 0.00 3.54 3.02 -0.15 -1.23 115.26 124.14 2wiq n ASN 23 Ca -0.20 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 2wiq n ASN 23 Cb 0.51 -2.76 0.00 0.00 -0.61 0.00 0.00 39.78 36.92 2wiq n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wiq n GLY 24 N -2.08 0.59 3.64 7.41 0.00 -1.26 -4.98 105.19 108.52 2wiq n GLY 24 Ca -0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 2wiq n GLY 24 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wiq s GLN 25 N -0.46 4.18 0.27 1.61 -0.21 -0.37 -5.03 119.66 119.65 2wiq s GLN 25 Ca 0.00 0.88 -0.29 0.00 0.02 0.00 0.00 55.36 55.98 2wiq s GLN 25 Cb 0.00 -3.64 -0.09 0.00 1.00 0.00 0.00 33.01 30.27 2wiq s GLN 25 CO 0.00 -0.50 0.96 0.15 -2.12 0.00 0.00 175.29 173.79 2wiq s LYS 26 N 2.77 4.74 0.04 2.91 1.02 -1.26 -1.66 119.74 128.29 2wiq s LYS 26 Ca 0.34 1.48 -0.05 0.00 0.02 0.00 0.00 55.97 57.75 2wiq s LYS 26 Cb -0.15 -3.11 -0.01 0.00 -0.52 0.00 0.00 37.83 34.03 2wiq s LYS 26 CO 0.08 0.40 0.09 -0.59 -0.92 0.00 0.00 175.35 174.40 2wiq s PHE 27 N -1.31 0.22 -0.05 3.18 -0.12 0.24 -4.95 117.98 115.19 2wiq s PHE 27 Ca 0.44 -0.54 0.03 0.00 -0.05 0.00 0.00 56.93 56.81 2wiq s PHE 27 Cb -0.24 -0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.00 2wiq s PHE 27 CO 0.31 -0.37 -0.11 0.95 -0.05 0.00 0.00 175.22 175.94 2wiq s THR 28 N -2.71 1.02 -0.03 -4.49 -4.23 -1.26 -0.78 115.64 103.16 2wiq s THR 28 Ca -0.04 -0.44 0.07 0.00 -1.18 0.00 0.00 61.69 60.09 2wiq s THR 28 Cb -0.01 -0.92 -0.02 0.00 1.34 0.00 0.00 72.50 72.89 2wiq s THR 28 CO -0.05 0.32 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.48 2wiq s ILE 29 N 0.47 1.88 -0.01 2.99 1.01 -0.38 -0.22 121.20 126.94 2wiq s ILE 29 Ca -0.10 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.60 2wiq s ILE 29 Cb -0.13 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 2wiq s ILE 29 CO 0.02 0.53 -0.17 -0.69 0.00 0.00 0.00 174.94 174.63 2wiq s VAL 30 N -0.43 1.38 0.01 2.92 1.01 -0.64 -0.31 120.40 124.34 2wiq s VAL 30 Ca 0.06 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 2wiq s VAL 30 Cb -0.10 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.13 2wiq s VAL 30 CO 0.00 0.35 0.21 0.00 0.00 0.00 0.00 175.10 175.67 2wiq s ALA 31 N -0.46 -0.48 0.17 5.51 0.00 -0.49 -0.91 121.76 125.10 2wiq s ALA 31 Ca 0.06 -0.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.84 2wiq s ALA 31 Cb -0.07 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.24 2wiq s ALA 31 CO -0.00 -0.29 0.37 0.16 0.00 0.00 0.00 175.76 176.00 2wiq s ASP 32 N -1.68 -0.07 0.00 0.00 1.47 -0.69 -0.27 116.67 115.42 2wiq s ASP 32 Ca -0.10 -0.71 0.00 0.00 1.18 0.00 0.00 52.55 52.92 2wiq s ASP 32 Cb -0.04 0.49 0.00 0.00 -0.34 0.00 0.00 42.92 43.02 2wiq s ASP 32 CO -0.00 -0.95 0.00 0.61 0.68 0.00 0.00 175.17 175.51 2wiq n GLY 33 N -0.26 1.09 3.08 2.12 0.00 -0.99 -0.39 105.19 109.84 2wiq n GLY 33 Ca -0.09 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.96 2wiq n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wiq s SER 34 N -0.97 0.54 -0.07 1.61 1.04 -1.24 -1.63 113.70 112.98 2wiq s SER 34 Ca 0.00 -0.90 -0.03 0.00 0.48 0.00 0.00 55.95 55.51 2wiq s SER 34 Cb 0.00 0.16 0.04 0.00 0.10 0.00 0.00 66.02 66.32 2wiq s SER 34 CO 0.00 -0.52 0.09 -0.55 0.98 0.00 0.00 173.24 173.24 2wiq s SER 35 N -2.63 1.20 0.04 7.02 0.15 0.12 -4.10 113.70 115.49 2wiq s SER 35 Ca 0.03 0.05 -0.19 0.00 0.70 0.00 0.00 55.95 56.54 2wiq s SER 35 Cb 0.04 -0.05 -0.06 0.00 -1.71 0.00 0.00 66.02 64.24 2wiq s SER 35 CO -0.07 -0.26 0.56 -1.59 1.20 0.00 0.00 173.24 173.07 2wiq s LYS 36 N 2.20 4.21 0.41 5.44 0.00 -1.26 0.13 119.74 130.87 2wiq s LYS 36 Ca 0.04 0.69 -0.27 0.00 0.00 0.00 0.00 55.97 56.44 2wiq s LYS 36 Cb -0.13 -3.28 -0.10 0.00 0.00 0.00 0.00 37.83 34.33 2wiq s LYS 36 CO -0.05 0.55 1.46 0.12 0.00 0.00 0.00 175.35 177.43 2wiq s PHE 37 N -0.77 2.54 -1.63 1.78 5.36 -1.24 0.21 117.98 124.23 2wiq s PHE 37 Ca 0.29 1.21 0.00 0.00 -0.96 0.00 0.00 56.93 57.47 2wiq s PHE 37 Cb -0.19 -3.98 0.00 0.00 -0.34 0.00 0.00 43.02 38.52 2wiq s PHE 37 CO 0.18 -2.95 0.81 -0.35 -1.46 0.00 0.00 175.22 171.44 2wiq n PRO 38 N 0.20 0.99 0.00 10.12 -0.04 -1.26 -4.99 135.00 140.02 2wiq n PRO 38 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2wiq n PRO 38 Cb 0.40 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 2wiq n PRO 38 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2wiq n HIS 39 N -0.31 -0.40 -0.45 0.54 8.25 0.13 -4.64 115.22 118.33 2wiq n HIS 39 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wiq n HIS 39 Cb 0.09 0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.29 2wiq n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wiq n GLY 40 N 0.00 1.94 3.06 -1.41 0.00 0.19 -4.73 105.19 104.25 2wiq n GLY 40 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2wiq n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wiq s ASP 41 N -3.46 -0.86 0.12 1.61 -1.08 -1.26 -1.88 116.67 109.85 2wiq s ASP 41 Ca 0.00 0.21 -0.14 0.00 -0.52 0.00 0.00 52.55 52.11 2wiq s ASP 41 Cb 0.00 1.73 0.02 0.00 -1.46 0.00 0.00 42.92 43.21 2wiq s ASP 41 CO 0.00 -0.30 0.34 0.72 0.52 0.00 0.00 175.17 176.44 2wiq s PHE 42 N 2.73 -0.08 0.08 -5.34 -0.12 -0.77 -4.80 117.98 109.68 2wiq s PHE 42 Ca 0.13 -0.27 0.07 0.00 -0.05 0.00 0.00 56.93 56.81 2wiq s PHE 42 Cb -0.12 0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 2wiq s PHE 42 CO -0.25 -0.66 -0.13 -0.80 -0.05 0.00 0.00 175.22 173.33 2wiq s ASN 43 N -2.83 4.19 0.02 1.98 0.01 -1.26 -1.60 114.94 115.46 2wiq s ASN 43 Ca 0.04 -0.40 0.06 0.00 -0.71 0.00 0.00 52.86 51.85 2wiq s ASN 43 Cb 0.03 -0.76 -0.02 0.00 0.41 0.00 0.00 41.25 40.91 2wiq s ASN 43 CO -0.11 0.21 -0.18 0.54 -1.51 0.00 0.00 177.10 176.04 2wiq s VAL 44 N -1.12 1.47 -0.21 1.60 0.11 -0.04 -3.72 120.40 118.50 2wiq s VAL 44 Ca 0.19 -1.02 0.01 0.00 -2.93 0.00 0.00 61.98 58.22 2wiq s VAL 44 Cb -0.11 -1.27 0.02 0.00 -1.53 0.00 0.00 36.38 33.50 2wiq s VAL 44 CO 0.10 0.22 -0.15 -1.00 -3.33 0.00 0.00 175.10 170.94 2wiq s HIS 45 N -0.69 2.91 0.13 1.54 0.09 0.48 -1.11 115.29 118.63 2wiq s HIS 45 Ca 0.06 -1.69 0.10 0.00 -0.00 0.00 0.00 55.06 53.53 2wiq s HIS 45 Cb -0.08 -1.96 -0.04 0.00 -0.00 0.00 0.00 32.58 30.50 2wiq s HIS 45 CO 0.01 -0.79 -0.22 0.00 -0.00 0.00 0.00 174.74 173.74 2wiq s ALA 46 N 1.28 2.55 -0.03 -1.40 0.00 -0.21 -1.70 121.76 122.25 2wiq s ALA 46 Ca 0.02 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.57 2wiq s ALA 46 Cb -0.15 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.47 2wiq s ALA 46 CO -0.10 0.56 -0.02 0.08 0.00 0.00 0.00 175.76 176.29 2wiq s VAL 47 N -1.15 0.28 -0.56 0.00 1.01 -0.08 -1.32 120.40 118.58 2wiq s VAL 47 Ca 0.17 -0.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.86 2wiq s VAL 47 Cb -0.10 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.96 2wiq s VAL 47 CO 0.08 0.15 1.35 0.00 0.00 0.00 0.00 175.10 176.69 2wiq h GLU 49 N 10.61 0.00 -0.49 0.00 4.39 -0.92 -2.81 114.58 125.36 2wiq h GLU 49 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2wiq h GLU 49 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2wiq h GLU 49 CO 1.18 0.03 0.00 0.25 -1.16 0.00 0.00 179.01 179.31 2wiq n THR 50 N -3.24 0.66 0.00 1.13 -2.24 -1.23 -4.99 114.28 104.36 2wiq n THR 50 Ca -0.01 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2wiq n THR 50 Cb 0.20 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 2wiq n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wiq n GLY 51 N 1.29 0.54 3.79 3.38 0.00 -1.06 -4.99 105.19 108.15 2wiq n GLY 51 Ca 0.17 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 2wiq n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wiq s LYS 52 N 0.00 4.06 0.08 1.61 2.36 -1.26 -1.33 119.74 125.26 2wiq s LYS 52 Ca 0.00 0.36 -0.31 0.00 -2.55 0.00 0.00 55.97 53.48 2wiq s LYS 52 Cb 0.00 -3.30 -0.07 0.00 -1.05 0.00 0.00 37.83 33.41 2wiq s LYS 52 CO 0.00 0.50 1.38 -1.17 1.55 0.00 0.00 175.35 177.61 2wiq s LEU 53 N -0.44 4.36 0.00 5.43 0.20 -1.26 -4.89 118.68 122.08 2wiq s LEU 53 Ca 0.23 2.24 0.00 0.00 0.69 0.00 0.00 54.13 57.29 2wiq s LEU 53 Cb -0.16 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.03 2wiq s LEU 53 CO 0.11 -0.66 0.66 -0.81 -0.29 0.00 0.00 176.35 175.36 2wiq n PRO 54 N 4.37 0.91 -3.95 0.98 -0.04 -1.26 -4.77 135.00 131.24 2wiq n PRO 54 Ca 0.12 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 2wiq n PRO 54 Cb 0.43 -1.26 -0.03 0.00 -0.04 0.00 0.00 33.50 32.60 2wiq n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wiq s MET 55 N -1.44 1.75 0.40 0.54 0.23 -1.26 -4.88 119.30 114.64 2wiq s MET 55 Ca 0.00 -1.29 -0.26 0.00 -1.03 0.00 0.00 55.69 53.11 2wiq s MET 55 Cb 0.00 0.52 -0.10 0.00 -1.53 0.00 0.00 34.83 33.71 2wiq s MET 55 CO 0.00 -0.76 1.26 0.45 -2.03 0.00 0.00 175.02 173.94 2wiq n SER 56 N -0.68 2.51 0.24 -1.18 2.88 0.00 -4.91 113.62 112.48 2wiq n SER 56 Ca -0.03 1.13 0.14 0.00 -1.33 0.00 0.00 58.87 58.79 2wiq n SER 56 Cb 0.61 -1.49 0.40 0.00 -0.75 0.00 0.00 64.21 62.98 2wiq n SER 56 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 2wiq h TRP 57 N 2.17 0.00 -0.07 0.66 4.06 -1.94 -3.36 115.95 117.46 2wiq h TRP 57 Ca -0.47 0.00 0.03 0.00 2.06 0.00 0.00 58.89 60.51 2wiq h TRP 57 Cb 1.29 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.42 2wiq h TRP 57 CO 0.48 0.00 -0.13 0.87 -3.56 0.00 0.00 178.44 176.10 2wiq h LYS 58 N 0.00 -0.18 0.00 0.49 6.56 -1.92 -1.60 116.57 119.93 2wiq h LYS 58 Ca 0.00 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 2wiq h LYS 58 Cb 0.78 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.48 2wiq h LYS 58 CO 0.00 -0.12 0.00 -2.30 -2.06 0.00 0.00 179.45 174.97 2wiq n PRO 59 N -5.27 0.10 0.10 3.15 -0.02 -1.26 -1.53 135.00 130.27 2wiq n PRO 59 Ca -0.04 0.24 0.13 0.00 -2.02 0.00 0.00 63.50 61.80 2wiq n PRO 59 Cb 0.19 -1.50 0.34 0.00 -0.02 0.00 0.00 33.50 32.51 2wiq n PRO 59 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2wiq h ILE 60 N 0.00 0.00 -0.80 4.25 1.08 -1.51 -3.38 117.51 117.15 2wiq h ILE 60 Ca 0.00 -0.51 0.19 0.00 -0.39 0.00 0.00 64.86 64.15 2wiq h ILE 60 Cb 0.12 1.42 -0.13 0.00 -3.07 0.00 0.00 36.82 35.16 2wiq h ILE 60 CO 0.00 0.00 0.15 0.00 -0.69 0.00 0.00 178.15 177.61 2wiq h HIS 62 N 0.20 0.00 0.25 0.00 2.07 -1.83 -3.16 115.15 112.69 2wiq h HIS 62 Ca 0.47 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.65 2wiq h HIS 62 Cb 0.86 0.00 0.04 0.00 2.57 0.00 0.00 27.41 30.88 2wiq h HIS 62 CO -0.31 0.00 -1.48 -0.07 -3.07 0.00 0.00 177.93 173.00 2wiq h LEU 63 N 0.00 0.83 -6.11 6.12 3.38 -1.08 -3.44 115.31 115.00 2wiq h LEU 63 Ca 0.00 -0.89 -0.76 0.00 0.09 0.00 0.00 57.88 56.32 2wiq h LEU 63 Cb 0.59 -0.27 -0.16 0.00 0.09 0.00 0.00 40.66 40.91 2wiq h LEU 63 CO 0.00 1.70 2.03 2.30 0.09 0.00 0.00 178.44 184.56 2wiq n ILE 64 N -3.71 4.96 0.00 1.22 -5.35 -1.06 -5.09 119.36 110.33 2wiq n ILE 64 Ca -0.17 -4.61 0.00 0.00 -0.27 0.00 0.00 62.75 57.70 2wiq n ILE 64 Cb 1.10 -2.15 0.00 0.00 -1.74 0.00 0.00 39.64 36.85 2wiq n ILE 64 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2wiq n GLU 68 N 2.40 0.00 0.25 6.28 -0.58 -1.26 -4.96 120.64 122.78 2wiq n GLU 68 Ca 0.49 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 57.33 2wiq n GLU 68 Cb 0.30 0.00 0.66 0.00 -0.57 0.00 0.00 31.44 31.83 2wiq n GLU 68 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2wiq h PRO 69 N 0.00 0.00 0.00 3.49 0.13 -1.99 -0.99 132.00 132.64 2wiq h PRO 69 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2wiq h PRO 69 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2wiq h PRO 69 CO 0.00 0.11 0.00 1.97 -0.23 0.00 0.00 178.00 179.85 2wiq n PHE 70 N -4.04 0.70 1.02 1.56 -1.74 -1.26 -2.33 117.46 111.36 2wiq n PHE 70 Ca -0.02 0.28 0.12 0.00 -0.56 0.00 0.00 57.45 57.27 2wiq n PHE 70 Cb 0.20 -0.96 0.28 0.00 1.52 0.00 0.00 39.48 40.52 2wiq n PHE 70 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 2wiq n PHE 71 N -2.14 0.14 -1.97 2.97 3.72 -0.38 -4.75 117.46 115.05 2wiq n PHE 71 Ca 0.02 -0.07 -0.39 0.00 -0.05 0.00 0.00 57.45 56.96 2wiq n PHE 71 Cb 0.20 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.75 2wiq n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wiq s ALA 72 N -1.86 3.09 -0.33 4.37 0.00 -0.99 0.58 121.76 126.62 2wiq s ALA 72 Ca 0.34 1.25 -0.23 0.00 0.00 0.00 0.00 51.96 53.32 2wiq s ALA 72 Cb 0.20 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2wiq s ALA 72 CO 0.31 -1.01 0.76 0.50 0.00 0.00 0.00 175.76 176.32 2wiq s ARG 73 N -2.54 3.87 -0.13 0.00 3.52 -0.55 -4.55 118.95 118.56 2wiq s ARG 73 Ca 0.63 0.43 -0.06 0.00 -0.13 0.00 0.00 55.73 56.60 2wiq s ARG 73 Cb -0.38 -3.76 -0.04 0.00 -1.56 0.00 0.00 34.95 29.21 2wiq s ARG 73 CO 0.47 -0.73 0.07 0.71 -0.81 0.00 0.00 175.30 175.02 2wiq s TYR 74 N 2.95 3.33 0.74 5.12 1.51 -1.26 -1.67 117.35 128.07 2wiq s TYR 74 Ca 0.31 0.26 -0.08 0.00 -1.01 0.00 0.00 57.07 56.55 2wiq s TYR 74 Cb -0.14 -1.95 0.07 0.00 -0.11 0.00 0.00 41.96 39.84 2wiq s TYR 74 CO 0.14 0.44 1.06 -1.25 -1.11 0.00 0.00 175.55 174.83 2wiq s PRO 75 N -0.46 2.07 0.00 -1.71 0.04 -1.26 -5.00 135.00 128.67 2wiq s PRO 75 Ca 0.10 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.94 2wiq s PRO 75 Cb -0.12 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2wiq s PRO 75 CO 0.02 -1.37 0.00 -0.40 0.04 0.00 0.00 177.00 175.29 2wiq n ASP 76 N -3.04 0.00 -1.30 6.66 5.75 -1.26 -3.02 116.55 120.34 2wiq n ASP 76 Ca 0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.84 2wiq n ASP 76 Cb 0.61 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.84 2wiq n ASP 76 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wiq n GLY 77 N 0.00 2.56 3.02 6.12 0.00 -1.26 -4.78 105.19 110.85 2wiq n GLY 77 Ca 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 2wiq n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wiq s ILE 78 N -1.66 1.57 0.24 -0.61 1.01 -1.17 -5.05 121.20 115.53 2wiq s ILE 78 Ca 0.25 -0.65 -0.31 0.00 0.00 0.00 0.00 60.65 59.95 2wiq s ILE 78 Cb 0.20 -1.48 -0.11 0.00 0.01 0.00 0.00 42.46 41.08 2wiq s ILE 78 CO 0.06 0.44 1.55 -0.44 0.00 0.00 0.00 174.94 176.56 2wiq s SER 79 N 1.49 6.51 -0.97 3.58 0.01 -1.26 -4.71 113.70 118.33 2wiq s SER 79 Ca 0.05 2.78 -0.13 0.00 1.31 0.00 0.00 55.95 59.96 2wiq s SER 79 Cb -0.13 -2.62 0.22 0.00 0.21 0.00 0.00 66.02 63.70 2wiq s SER 79 CO -0.11 -0.83 1.01 -2.28 0.41 0.00 0.00 173.24 171.44 2wiq s HIS 80 N 0.35 3.78 0.18 2.43 2.46 -1.26 -4.58 115.29 118.65 2wiq s HIS 80 Ca 0.65 -2.12 -0.23 0.00 0.47 0.00 0.00 55.06 53.82 2wiq s HIS 80 Cb -0.45 -3.96 0.08 0.00 -0.13 0.00 0.00 32.58 28.11 2wiq s HIS 80 CO 0.41 -1.11 1.57 0.35 -2.47 0.00 0.00 174.74 173.50 2wiq h PHE 81 N 7.55 -1.14 -0.80 3.88 3.04 -1.91 -1.33 116.94 126.22 2wiq h PHE 81 Ca 0.16 0.08 0.06 0.00 3.98 0.00 0.00 57.97 62.25 2wiq h PHE 81 Cb 0.97 0.59 -0.06 0.00 2.56 0.00 0.00 35.95 40.01 2wiq h PHE 81 CO 0.98 -0.41 0.48 0.00 -2.02 0.00 0.00 178.31 177.35 2wiq h ALA 82 N 0.79 1.09 -0.57 2.41 0.00 -1.91 -0.62 119.26 120.45 2wiq h ALA 82 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2wiq h ALA 82 Cb 0.56 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2wiq h ALA 82 CO -0.70 0.21 0.36 1.96 0.00 0.00 0.00 179.25 181.08 2wiq h GLN 83 N 0.89 0.76 0.00 0.00 4.20 -1.78 -3.08 115.11 116.10 2wiq h GLN 83 Ca 0.35 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 2wiq h GLN 83 Cb 0.17 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2wiq h GLN 83 CO -0.17 0.53 -0.01 0.93 -0.67 0.00 0.00 178.83 179.44 2wiq h GLU 84 N 0.77 0.00 0.00 1.46 5.08 0.03 -2.63 114.58 119.30 2wiq h GLU 84 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2wiq h GLU 84 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2wiq h GLU 84 CO -0.04 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 177.97 2wiq s PHE 86 N -3.30 3.48 -0.73 0.00 0.08 -0.99 -0.51 117.98 116.00 2wiq s PHE 86 Ca 0.04 0.51 0.25 0.00 0.12 0.00 0.00 56.93 57.85 2wiq s PHE 86 Cb 0.09 -1.98 0.91 0.00 -0.57 0.00 0.00 43.02 41.47 2wiq s PHE 86 CO 0.38 0.40 1.75 -0.35 -0.10 0.00 0.00 175.22 177.31 2wiq n PRO 87 N -0.16 0.18 -0.23 0.24 -0.04 -1.26 -1.70 135.00 132.02 2wiq n PRO 87 Ca -0.03 0.24 -0.06 0.00 -0.04 0.00 0.00 63.50 63.61 2wiq n PRO 87 Cb 0.52 -1.75 0.08 0.00 -0.04 0.00 0.00 33.50 32.31 2wiq n PRO 87 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2wiq h GLU 88 N 0.00 1.09 0.00 0.54 3.07 -1.89 -3.42 114.58 113.98 2wiq h GLU 88 Ca 0.00 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 2wiq h GLU 88 Cb 0.55 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 2wiq h GLU 88 CO 0.00 0.96 0.00 0.41 -1.40 0.00 0.00 179.01 178.98 2wiq n GLY 89 N -0.71 1.20 2.91 -3.84 0.00 0.33 -4.80 105.19 100.28 2wiq n GLY 89 Ca 0.05 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.77 2wiq n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wiq s LEU 90 N 0.00 2.00 0.20 0.99 2.96 -1.18 -1.79 118.68 121.86 2wiq s LEU 90 Ca 0.00 -0.10 0.10 0.00 -0.22 0.00 0.00 54.13 53.91 2wiq s LEU 90 Cb 0.00 0.08 -0.04 0.00 0.50 0.00 0.00 46.19 46.73 2wiq s LEU 90 CO 0.00 -0.08 -0.14 -0.94 -1.32 0.00 0.00 176.35 173.86 2wiq s SER 91 N -0.38 3.96 -0.06 3.68 1.04 -0.42 -0.86 113.70 120.67 2wiq s SER 91 Ca -0.04 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.69 2wiq s SER 91 Cb -0.03 -0.55 0.02 0.00 0.10 0.00 0.00 66.02 65.56 2wiq s SER 91 CO -0.00 0.09 -0.09 -0.63 0.98 0.00 0.00 173.24 173.59 2wiq s ILE 92 N -1.83 0.87 -0.17 -1.02 1.01 -0.37 -0.76 121.20 118.93 2wiq s ILE 92 Ca 0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 2wiq s ILE 92 Cb -0.08 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.57 2wiq s ILE 92 CO 0.14 0.30 -0.14 -1.81 0.00 0.00 0.00 174.94 173.43 2wiq s ASP 93 N 0.77 3.73 -0.01 3.58 1.01 -0.30 -0.25 116.67 125.20 2wiq s ASP 93 Ca -0.13 -0.48 0.01 0.00 0.71 0.00 0.00 52.55 52.66 2wiq s ASP 93 Cb -0.15 -1.59 0.00 0.00 1.01 0.00 0.00 42.92 42.19 2wiq s ASP 93 CO 0.02 0.05 -0.03 -0.60 0.21 0.00 0.00 175.17 174.82 2wiq s ARG 94 N 1.03 0.27 -0.00 8.23 3.52 -0.10 -1.46 118.95 130.45 2wiq s ARG 94 Ca -0.01 -0.08 0.08 0.00 -0.13 0.00 0.00 55.73 55.59 2wiq s ARG 94 Cb -0.15 -0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 32.92 2wiq s ARG 94 CO -0.03 0.03 -0.24 0.95 -0.81 0.00 0.00 175.30 175.20 2wiq s THR 95 N 0.14 1.92 -0.21 4.11 -4.23 0.22 -1.26 115.64 116.33 2wiq s THR 95 Ca -0.01 -1.11 -0.00 0.00 -1.18 0.00 0.00 61.69 59.39 2wiq s THR 95 Cb -0.04 -1.61 0.06 0.00 1.34 0.00 0.00 72.50 72.25 2wiq s THR 95 CO -0.00 0.48 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.83 2wiq s VAL 96 N -0.63 1.24 -0.26 2.29 1.01 0.08 -1.02 120.40 123.10 2wiq s VAL 96 Ca 0.10 -0.97 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 2wiq s VAL 96 Cb -0.09 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2wiq s VAL 96 CO -0.00 -0.08 0.27 -0.60 0.00 0.00 0.00 175.10 174.69 2wiq s ARG 97 N 1.54 4.01 -0.07 2.72 3.52 -0.39 -0.89 118.95 129.39 2wiq s ARG 97 Ca -0.04 -0.13 -0.18 0.00 -0.13 0.00 0.00 55.73 55.25 2wiq s ARG 97 Cb -0.18 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.53 2wiq s ARG 97 CO -0.07 -0.17 0.49 -0.06 -0.81 0.00 0.00 175.30 174.68 2wiq s PHE 98 N 1.74 3.59 0.21 5.12 0.40 -0.35 0.18 117.98 128.87 2wiq s PHE 98 Ca 0.11 0.97 -0.31 0.00 -0.60 0.00 0.00 56.93 57.10 2wiq s PHE 98 Cb -0.15 -2.51 -0.11 0.00 0.51 0.00 0.00 43.02 40.75 2wiq s PHE 98 CO 0.09 0.30 1.60 -1.21 0.70 0.00 0.00 175.22 176.70 2wiq s GLU 99 N 0.13 4.18 -1.64 0.44 2.02 -0.34 -2.03 118.70 121.46 2wiq s GLU 99 Ca 0.27 2.45 0.00 0.00 0.02 0.00 0.00 54.97 57.71 2wiq s GLU 99 Cb -0.16 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 30.96 2wiq s GLU 99 CO 0.12 -0.63 0.00 0.09 0.02 0.00 0.00 175.26 174.86 2wiq n ASN 100 N 3.52 -4.73 0.00 -0.19 3.02 -1.26 -4.75 115.26 110.87 2wiq n ASN 100 Ca 0.13 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 2wiq n ASN 100 Cb 0.38 -4.12 0.00 0.00 -0.61 0.00 0.00 39.78 35.43 2wiq n ASN 100 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2wiq n ASP 101 N -1.40 0.00 -4.42 6.41 4.64 -0.86 -4.79 116.55 116.13 2wiq n ASP 101 Ca -0.19 0.00 -0.27 0.00 -1.38 0.00 0.00 54.79 52.96 2wiq n ASP 101 Cb 0.60 0.00 0.14 0.00 -1.04 0.00 0.00 41.12 40.83 2wiq n ASP 101 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 2wiq s GLY 102 N 0.00 1.77 -0.08 0.27 0.00 -1.18 -4.54 107.32 103.56 2wiq s GLY 102 Ca 0.00 -1.44 0.05 0.00 0.00 0.00 0.00 44.72 43.32 2wiq s GLY 102 CO 0.00 -0.78 -0.24 -1.59 0.00 0.00 0.00 173.10 170.49 2wiq s THR 103 N -3.51 2.00 -0.28 0.90 2.01 0.02 -1.21 115.64 115.58 2wiq s THR 103 Ca 0.70 -1.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.58 2wiq s THR 103 Cb -0.05 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 2wiq s THR 103 CO 0.49 0.55 0.18 -0.04 -0.69 0.00 0.00 174.62 175.10 2wiq s MET 104 N 0.13 3.93 -0.21 4.92 -1.94 -0.07 -1.59 119.30 124.47 2wiq s MET 104 Ca -0.12 -0.33 -0.04 0.00 -1.71 0.00 0.00 55.69 53.49 2wiq s MET 104 Cb -0.16 -3.62 -0.01 0.00 2.01 0.00 0.00 34.83 33.05 2wiq s MET 104 CO 0.06 -0.17 -0.05 0.99 -0.01 0.00 0.00 175.02 175.85 2wiq s THR 105 N 1.72 3.37 0.06 2.05 2.01 -0.29 -0.74 115.64 123.83 2wiq s THR 105 Ca 0.07 -0.50 0.06 0.00 0.31 0.00 0.00 61.69 61.63 2wiq s THR 105 Cb -0.16 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 2wiq s THR 105 CO 0.10 0.43 -0.17 -0.94 -0.69 0.00 0.00 174.62 173.35 2wiq s SER 106 N 1.39 2.01 -0.14 3.53 1.04 -0.39 -0.73 113.70 120.40 2wiq s SER 106 Ca 0.05 -0.57 -0.00 0.00 0.48 0.00 0.00 55.95 55.91 2wiq s SER 106 Cb -0.14 -0.11 0.03 0.00 0.10 0.00 0.00 66.02 65.90 2wiq s SER 106 CO -0.03 0.03 -0.07 -1.00 0.98 0.00 0.00 173.24 173.15 2wiq s HIS 107 N -1.04 1.68 -0.01 5.02 3.76 -0.08 -0.92 115.29 123.70 2wiq s HIS 107 Ca 0.03 -0.97 0.04 0.00 -0.15 0.00 0.00 55.06 54.00 2wiq s HIS 107 Cb -0.09 -1.32 -0.03 0.00 1.11 0.00 0.00 32.58 32.25 2wiq s HIS 107 CO 0.02 -0.58 -0.11 -1.01 -0.85 0.00 0.00 174.74 172.21 2wiq s HIS 108 N 1.64 2.79 0.09 1.40 0.09 0.66 -1.45 115.29 120.51 2wiq s HIS 108 Ca 0.03 -0.10 0.08 0.00 -0.00 0.00 0.00 55.06 55.07 2wiq s HIS 108 Cb -0.14 -1.61 -0.03 0.00 -0.00 0.00 0.00 32.58 30.80 2wiq s HIS 108 CO -0.08 0.30 -0.20 0.95 -0.00 0.00 0.00 174.74 175.70 2wiq s THR 109 N -0.89 1.67 -0.03 1.30 -4.23 0.13 -1.24 115.64 112.36 2wiq s THR 109 Ca 0.14 -1.47 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 2wiq s THR 109 Cb -0.11 -1.51 -0.00 0.00 1.34 0.00 0.00 72.50 72.22 2wiq s THR 109 CO 0.04 -0.02 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.67 2wiq s TYR 110 N -1.10 1.18 -0.00 3.99 2.02 -0.04 -1.53 117.35 121.88 2wiq s TYR 110 Ca 0.06 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 2wiq s TYR 110 Cb -0.10 -0.82 -0.00 0.00 -0.40 0.00 0.00 41.96 40.64 2wiq s TYR 110 CO 0.04 -0.11 -0.05 -2.00 -1.57 0.00 0.00 175.55 171.86 2wiq s GLU 111 N 0.09 0.38 -0.26 -0.62 2.12 0.05 -3.10 118.70 117.36 2wiq s GLU 111 Ca -0.02 -0.20 -0.11 0.00 0.36 0.00 0.00 54.97 55.00 2wiq s GLU 111 Cb -0.09 -0.36 -0.05 0.00 0.26 0.00 0.00 34.13 33.90 2wiq s GLU 111 CO 0.01 0.10 0.17 -1.17 -0.54 0.00 0.00 175.26 173.83 2wiq s LEU 112 N -0.19 4.06 -0.37 2.70 0.20 -1.26 -0.10 118.68 123.72 2wiq s LEU 112 Ca 0.01 0.05 0.03 0.00 0.69 0.00 0.00 54.13 54.91 2wiq s LEU 112 Cb -0.02 -2.11 0.10 0.00 -0.43 0.00 0.00 46.19 43.73 2wiq s LEU 112 CO -0.00 0.01 0.10 -1.81 -0.29 0.00 0.00 176.35 174.36 2wiq s ASP 113 N 1.38 4.84 1.19 3.68 1.01 0.14 -4.98 116.67 123.93 2wiq s ASP 113 Ca 0.07 -2.20 0.00 0.00 0.71 0.00 0.00 52.55 51.14 2wiq s ASP 113 Cb -0.15 -1.67 0.00 0.00 1.01 0.00 0.00 42.92 42.11 2wiq s ASP 113 CO 0.07 -0.40 0.00 0.47 0.21 0.00 0.00 175.17 175.52 2wiq n ASP 114 N 4.23 0.00 -0.42 0.27 9.92 -1.26 -1.40 116.55 127.89 2wiq n ASP 114 Ca 0.03 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.38 2wiq n ASP 114 Cb 0.41 0.00 0.18 0.00 -0.64 0.00 0.00 41.12 41.07 2wiq n ASP 114 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2wiq n THR 115 N 0.00 1.94 -4.63 -3.53 -2.24 -1.26 -4.97 114.28 99.58 2wiq n THR 115 Ca 0.00 -1.96 -0.33 0.00 -2.27 0.00 0.00 64.05 59.49 2wiq n THR 115 Cb 0.00 -0.15 -0.15 0.00 -2.10 0.00 0.00 70.33 67.92 2wiq n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wiq s VAL 117 N 0.72 5.17 -0.14 0.00 1.01 -0.74 0.25 120.40 126.66 2wiq s VAL 117 Ca -0.07 0.44 -0.14 0.00 0.00 0.00 0.00 61.98 62.21 2wiq s VAL 117 Cb -0.16 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 2wiq s VAL 117 CO 0.01 0.09 0.30 -0.69 0.00 0.00 0.00 175.10 174.82 2wiq s VAL 118 N 2.06 5.29 -0.09 2.92 1.01 0.86 -1.61 120.40 130.84 2wiq s VAL 118 Ca 0.14 0.57 0.04 0.00 0.00 0.00 0.00 61.98 62.73 2wiq s VAL 118 Cb -0.16 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2wiq s VAL 118 CO 0.11 0.42 -0.22 -0.55 0.00 0.00 0.00 175.10 174.85 2wiq s SER 119 N 0.26 2.90 -0.13 3.32 0.15 -0.19 -0.77 113.70 119.24 2wiq s SER 119 Ca 0.17 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.32 2wiq s SER 119 Cb -0.13 -1.27 0.02 0.00 -1.71 0.00 0.00 66.02 62.92 2wiq s SER 119 CO 0.05 0.15 -0.16 -0.13 1.20 0.00 0.00 173.24 174.35 2wiq s ARG 120 N 0.34 2.36 -0.04 5.44 0.52 -0.58 -0.64 118.95 126.34 2wiq s ARG 120 Ca -0.17 -0.60 0.03 0.00 -0.52 0.00 0.00 55.73 54.47 2wiq s ARG 120 Cb -0.17 -2.06 0.01 0.00 0.52 0.00 0.00 34.95 33.24 2wiq s ARG 120 CO 0.08 -0.14 -0.11 0.42 0.02 0.00 0.00 175.30 175.57 2wiq s ILE 121 N 1.19 0.99 -0.14 1.52 1.01 -0.27 -0.69 121.20 124.81 2wiq s ILE 121 Ca -0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.13 2wiq s ILE 121 Cb -0.14 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 2wiq s ILE 121 CO -0.06 0.31 0.04 0.42 0.00 0.00 0.00 174.94 175.65 2wiq s THR 122 N 0.33 4.58 -0.03 2.92 -4.23 -0.53 -0.79 115.64 117.88 2wiq s THR 122 Ca -0.07 -0.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.34 2wiq s THR 122 Cb -0.11 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.72 2wiq s THR 122 CO 0.02 0.52 -0.09 0.54 -0.54 0.00 0.00 174.62 175.07 2wiq s VAL 123 N -0.12 0.79 -0.30 2.29 0.11 -0.44 -0.90 120.40 121.83 2wiq s VAL 123 Ca 0.06 -0.36 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 2wiq s VAL 123 Cb -0.12 -0.71 0.06 0.00 -1.53 0.00 0.00 36.38 34.08 2wiq s VAL 123 CO 0.02 0.25 -0.01 0.20 -3.33 0.00 0.00 175.10 172.22 2wiq s ASN 124 N 0.25 4.76 -0.43 3.54 0.01 0.09 -1.80 114.94 121.36 2wiq s ASN 124 Ca -0.04 -1.48 -0.11 0.00 -0.71 0.00 0.00 52.86 50.52 2wiq s ASN 124 Cb -0.09 -1.66 0.07 0.00 0.41 0.00 0.00 41.25 39.99 2wiq s ASN 124 CO 0.01 -0.27 0.30 0.00 -1.51 0.00 0.00 177.10 175.62 2wiq s ASP 126 N 2.23 2.66 0.00 0.00 1.01 -0.62 -0.97 116.67 120.97 2wiq s ASP 126 Ca 0.03 -0.50 0.00 0.00 0.71 0.00 0.00 52.55 52.79 2wiq s ASP 126 Cb -0.23 -0.25 0.00 0.00 1.01 0.00 0.00 42.92 43.45 2wiq s ASP 126 CO 0.04 0.21 0.00 0.61 0.21 0.00 0.00 175.17 176.24 2wiq n GLY 127 N 2.02 0.46 3.79 0.21 0.00 -1.26 -0.80 105.19 109.61 2wiq n GLY 127 Ca -0.17 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.57 2wiq n GLY 127 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wiq s PHE 128 N -2.00 3.74 -0.33 1.61 0.40 -1.26 -3.12 117.98 117.02 2wiq s PHE 128 Ca 0.00 1.66 -0.29 0.00 -0.60 0.00 0.00 56.93 57.70 2wiq s PHE 128 Cb 0.00 -2.81 0.01 0.00 0.51 0.00 0.00 43.02 40.72 2wiq s PHE 128 CO 0.00 0.32 1.27 -0.65 0.70 0.00 0.00 175.22 176.86 2wiq s GLN 129 N -1.81 3.87 0.53 0.44 -1.52 -1.26 -4.88 119.66 115.04 2wiq s GLN 129 Ca 0.45 1.13 0.24 0.00 -1.95 0.00 0.00 55.36 55.23 2wiq s GLN 129 Cb -0.19 -3.88 1.38 0.00 -0.22 0.00 0.00 33.01 30.10 2wiq s GLN 129 CO 0.24 -1.17 2.02 -1.35 -0.25 0.00 0.00 175.29 174.78 2wiq h PRO 130 N 9.32 0.00 -0.51 2.91 0.11 -1.98 0.13 132.00 141.98 2wiq h PRO 130 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2wiq h PRO 130 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2wiq h PRO 130 CO 1.05 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.59 2wiq n ASP 131 N -4.38 4.31 -4.80 -2.05 8.00 -1.26 -4.31 116.55 112.06 2wiq n ASP 131 Ca 0.08 -2.52 -0.24 0.00 0.71 0.00 0.00 54.79 52.82 2wiq n ASP 131 Cb 0.52 -0.52 0.08 0.00 -0.02 0.00 0.00 41.12 41.19 2wiq n ASP 131 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2wiq s GLY 132 N -1.14 1.76 0.55 0.44 0.00 0.46 -4.90 107.32 104.48 2wiq s GLY 132 Ca 0.44 -1.30 0.34 0.00 0.00 0.00 0.00 44.72 44.21 2wiq s GLY 132 CO 0.19 -0.85 2.01 -0.56 0.00 0.00 0.00 173.10 173.89 2wiq h PRO 133 N -0.48 0.00 0.17 2.90 0.13 -1.94 -1.42 132.00 131.36 2wiq h PRO 133 Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 2wiq h PRO 133 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2wiq h PRO 133 CO 0.50 0.00 -0.08 0.82 -0.23 0.00 0.00 178.00 179.01 2wiq h ILE 134 N 0.00 0.85 -0.12 -3.56 2.04 -1.95 0.13 117.51 114.90 2wiq h ILE 134 Ca 0.00 -1.09 -0.16 0.00 1.00 0.00 0.00 64.86 64.62 2wiq h ILE 134 Cb 0.45 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 2wiq h ILE 134 CO 0.00 0.21 -0.59 0.24 0.00 0.00 0.00 178.15 178.01 2wiq h MET 135 N -0.84 0.39 -0.01 2.37 2.86 -1.72 0.10 114.93 118.08 2wiq h MET 135 Ca -0.02 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 2wiq h MET 135 Cb 0.52 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2wiq h MET 135 CO 0.04 0.87 0.00 0.54 1.06 0.00 0.00 176.91 179.41 2wiq n ARG 136 N -3.91 1.08 -3.60 1.72 5.12 -0.54 -4.69 116.66 111.84 2wiq n ARG 136 Ca -0.03 -0.12 -0.22 0.00 -1.93 0.00 0.00 57.85 55.55 2wiq n ARG 136 Cb 0.62 -1.43 0.07 0.00 -1.16 0.00 0.00 32.46 30.56 2wiq n ARG 136 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2wiq n ASP 137 N -0.80 -4.12 -1.03 0.55 2.03 -0.89 -4.91 116.55 107.39 2wiq n ASP 137 Ca 0.20 -0.63 0.09 0.00 0.52 0.00 0.00 54.79 54.97 2wiq n ASP 137 Cb 0.12 -4.79 0.25 0.00 -0.72 0.00 0.00 41.12 35.98 2wiq n ASP 137 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wiq n GLN 138 N -4.59 2.86 -2.85 -0.67 6.02 0.40 -4.94 117.38 113.61 2wiq n GLN 138 Ca -0.12 -2.40 -0.41 0.00 -0.01 0.00 0.00 57.00 54.05 2wiq n GLN 138 Cb 0.61 -1.46 -0.04 0.00 1.02 0.00 0.00 30.24 30.37 2wiq n GLN 138 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wiq s LEU 139 N -1.09 4.36 -0.17 1.08 1.43 -1.24 -0.68 118.68 122.37 2wiq s LEU 139 Ca 0.37 1.48 -0.06 0.00 -1.03 0.00 0.00 54.13 54.89 2wiq s LEU 139 Cb 0.20 -3.37 -0.08 0.00 0.03 0.00 0.00 46.19 42.97 2wiq s LEU 139 CO 0.24 -0.19 -0.20 1.33 0.23 0.00 0.00 176.35 177.76 2wiq n VAL 140 N 3.77 0.95 -4.32 -1.59 0.24 0.60 -4.94 118.33 113.05 2wiq n VAL 140 Ca 0.03 -0.28 -0.21 0.00 -2.04 0.00 0.00 64.34 61.83 2wiq n VAL 140 Cb 0.51 -1.54 -0.11 0.00 -1.47 0.00 0.00 33.84 31.23 2wiq n VAL 140 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2wiq s ASP 141 N -6.28 2.57 -0.23 -1.34 1.01 -1.24 -4.98 116.67 106.18 2wiq s ASP 141 Ca -0.24 -0.84 -0.06 0.00 0.71 0.00 0.00 52.55 52.11 2wiq s ASP 141 Cb 0.08 -0.14 -0.03 0.00 1.01 0.00 0.00 42.92 43.84 2wiq s ASP 141 CO 0.33 -0.05 0.04 -0.63 0.21 0.00 0.00 175.17 175.08 2wiq s ILE 142 N -2.01 4.13 0.39 0.77 1.01 -1.26 -2.14 121.20 122.10 2wiq s ILE 142 Ca 0.14 -0.24 -0.25 0.00 0.00 0.00 0.00 60.65 60.31 2wiq s ILE 142 Cb -0.06 -2.91 -0.09 0.00 0.01 0.00 0.00 42.46 39.41 2wiq s ILE 142 CO 0.06 0.37 1.08 -0.76 0.00 0.00 0.00 174.94 175.69 2wiq s LEU 143 N 1.44 4.18 0.60 2.97 1.43 -0.29 -4.72 118.68 124.30 2wiq s LEU 143 Ca 0.05 2.12 -0.18 0.00 -1.03 0.00 0.00 54.13 55.10 2wiq s LEU 143 Cb -0.15 -4.11 -0.03 0.00 0.03 0.00 0.00 46.19 41.93 2wiq s LEU 143 CO 0.02 -0.51 1.17 -2.16 0.23 0.00 0.00 176.35 175.10 2wiq s PRO 144 N -2.37 2.98 0.19 1.29 0.04 -1.26 -4.69 135.00 131.17 2wiq s PRO 144 Ca 0.57 1.69 0.02 0.00 0.04 0.00 0.00 61.00 63.32 2wiq s PRO 144 Cb -0.25 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 2wiq s PRO 144 CO 0.31 -1.17 0.01 0.54 0.04 0.00 0.00 177.00 176.73 2wiq s ASN 145 N -1.84 1.37 -0.75 6.66 2.20 -0.45 -4.97 114.94 117.15 2wiq s ASN 145 Ca 0.74 -1.20 -0.06 0.00 -0.94 0.00 0.00 52.86 51.40 2wiq s ASN 145 Cb -0.27 0.10 0.19 0.00 -2.00 0.00 0.00 41.25 39.27 2wiq s ASN 145 CO 0.34 -0.57 0.63 -1.61 -2.94 0.00 0.00 177.10 172.95 2wiq s GLU 146 N -3.91 3.07 0.52 3.55 0.41 -1.26 -1.05 118.70 120.02 2wiq s GLU 146 Ca 0.26 -2.67 -0.20 0.00 -0.41 0.00 0.00 54.97 51.95 2wiq s GLU 146 Cb 0.06 -4.02 -0.07 0.00 -1.78 0.00 0.00 34.13 28.32 2wiq s GLU 146 CO 0.06 -1.23 1.09 0.95 -0.49 0.00 0.00 175.26 175.65 2wiq s THR 147 N -0.27 3.43 -0.20 3.63 -4.23 -0.30 -4.86 115.64 112.82 2wiq s THR 147 Ca 0.20 0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 61.56 2wiq s THR 147 Cb -0.15 -3.37 -0.02 0.00 1.34 0.00 0.00 72.50 70.31 2wiq s THR 147 CO -0.07 -0.18 -0.02 -1.00 -0.54 0.00 0.00 174.62 172.81 2wiq s HIS 148 N -1.85 3.00 -0.12 3.99 3.76 0.45 -1.30 115.29 123.21 2wiq s HIS 148 Ca 0.70 -0.62 -0.02 0.00 -0.15 0.00 0.00 55.06 54.97 2wiq s HIS 148 Cb -0.21 -2.08 -0.03 0.00 1.11 0.00 0.00 32.58 31.37 2wiq s HIS 148 CO 0.24 -0.34 -0.03 -1.64 -0.85 0.00 0.00 174.74 172.12 2wiq s MET 149 N 1.13 3.34 0.06 1.40 -1.94 -0.10 -0.89 119.30 122.31 2wiq s MET 149 Ca 0.02 -0.50 0.06 0.00 -1.71 0.00 0.00 55.69 53.56 2wiq s MET 149 Cb -0.14 -2.83 -0.03 0.00 2.01 0.00 0.00 34.83 33.84 2wiq s MET 149 CO 0.01 0.43 -0.16 -0.06 -0.01 0.00 0.00 175.02 175.22 2wiq s PHE 150 N -0.14 1.42 0.53 -0.03 0.08 0.49 -1.21 117.98 119.12 2wiq s PHE 150 Ca 0.03 -0.40 -0.21 0.00 0.12 0.00 0.00 56.93 56.46 2wiq s PHE 150 Cb -0.13 -0.81 -0.05 0.00 -0.57 0.00 0.00 43.02 41.46 2wiq s PHE 150 CO 0.02 0.09 1.28 -1.25 -0.10 0.00 0.00 175.22 175.26 2wiq s PRO 151 N -1.51 3.26 -0.40 0.24 0.04 -1.25 -0.76 135.00 134.62 2wiq s PRO 151 Ca 0.02 2.05 0.09 0.00 0.04 0.00 0.00 61.00 63.19 2wiq s PRO 151 Cb -0.09 -2.23 0.27 0.00 0.04 0.00 0.00 34.50 32.49 2wiq s PRO 151 CO 0.02 -1.04 0.63 1.58 0.04 0.00 0.00 177.00 178.23 2wiq n HIS 152 N -1.00 -0.65 -1.15 0.56 -0.00 -0.13 -4.63 115.22 108.21 2wiq n HIS 152 Ca 0.10 -3.38 0.01 0.00 0.46 0.00 0.00 57.72 54.91 2wiq n HIS 152 Cb 0.47 -0.09 -0.00 0.00 -0.12 0.00 0.00 29.99 30.24 2wiq n HIS 152 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2wiq n GLY 153 N 1.13 -2.19 0.00 1.57 0.00 -1.26 -3.70 105.19 100.74 2wiq n GLY 153 Ca 0.20 -1.49 0.09 0.00 0.00 0.00 0.00 46.02 44.82 2wiq n GLY 153 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wiq n PRO 154 N -0.89 0.26 -0.09 1.61 -0.04 -1.26 -3.97 135.00 130.61 2wiq n PRO 154 Ca 0.00 0.11 0.01 0.00 -0.04 0.00 0.00 63.50 63.58 2wiq n PRO 154 Cb 0.03 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.00 2wiq n PRO 154 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wiq n ASN 155 N -1.28 0.72 -3.69 3.54 3.02 -1.26 -4.62 115.26 111.68 2wiq n ASN 155 Ca 0.09 -1.61 -0.11 0.00 -0.03 0.00 0.00 54.58 52.92 2wiq n ASN 155 Cb 0.14 -0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 39.19 2wiq n ASN 155 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wiq s ALA 156 N -0.51 -0.80 0.31 5.41 0.00 -1.24 -0.76 121.76 124.16 2wiq s ALA 156 Ca 0.03 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 51.98 2wiq s ALA 156 Cb 0.02 0.57 -0.06 0.00 0.00 0.00 0.00 23.12 23.66 2wiq s ALA 156 CO 0.00 -0.57 -0.07 0.14 0.00 0.00 0.00 175.76 175.26 2wiq s VAL 157 N -3.50 1.90 -0.05 0.00 -7.23 -0.81 -0.96 120.40 109.74 2wiq s VAL 157 Ca 0.01 -2.16 0.04 0.00 -1.81 0.00 0.00 61.98 58.06 2wiq s VAL 157 Cb 0.02 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.43 2wiq s VAL 157 CO -0.10 -0.26 -0.18 -0.60 -0.31 0.00 0.00 175.10 173.65 2wiq s ARG 158 N -3.68 2.03 -0.22 4.82 3.52 0.06 -1.95 118.95 123.54 2wiq s ARG 158 Ca 0.31 -0.66 -0.03 0.00 -0.13 0.00 0.00 55.73 55.22 2wiq s ARG 158 Cb 0.03 -1.71 -0.00 0.00 -1.56 0.00 0.00 34.95 31.71 2wiq s ARG 158 CO 0.14 0.23 -0.06 -1.14 -0.81 0.00 0.00 175.30 173.66 2wiq s GLN 159 N 0.13 3.32 -0.08 5.12 0.74 0.99 -0.38 119.66 129.50 2wiq s GLN 159 Ca -0.07 -0.66 0.01 0.00 0.05 0.00 0.00 55.36 54.70 2wiq s GLN 159 Cb -0.13 -2.97 -0.03 0.00 1.10 0.00 0.00 33.01 30.99 2wiq s GLN 159 CO 0.03 -0.21 -0.11 -0.51 -0.55 0.00 0.00 175.29 173.95 2wiq s LEU 160 N 1.46 2.91 0.12 3.68 1.43 -0.07 -1.09 118.68 127.11 2wiq s LEU 160 Ca 0.06 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 52.84 2wiq s LEU 160 Cb -0.14 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 44.48 2wiq s LEU 160 CO -0.04 0.30 0.38 0.00 0.23 0.00 0.00 176.35 177.22 2wiq s ALA 161 N -0.47 -0.86 -0.37 4.21 0.00 -0.71 -0.41 121.76 123.16 2wiq s ALA 161 Ca 0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.89 2wiq s ALA 161 Cb -0.12 0.65 0.07 0.00 0.00 0.00 0.00 23.12 23.72 2wiq s ALA 161 CO 0.02 -0.62 0.14 -0.06 0.00 0.00 0.00 175.76 175.24 2wiq s PHE 162 N -3.73 3.37 -0.33 0.00 0.40 -1.26 -1.29 117.98 115.14 2wiq s PHE 162 Ca 0.03 -1.83 -0.10 0.00 -0.60 0.00 0.00 56.93 54.43 2wiq s PHE 162 Cb 0.02 -2.65 0.01 0.00 0.51 0.00 0.00 43.02 40.91 2wiq s PHE 162 CO -0.11 -0.84 0.16 0.96 0.70 0.00 0.00 175.22 176.09 2wiq s ILE 163 N 1.30 4.52 0.08 0.64 -4.36 -0.25 -4.86 121.20 118.27 2wiq s ILE 163 Ca 0.01 -0.58 0.05 0.00 -0.26 0.00 0.00 60.65 59.87 2wiq s ILE 163 Cb -0.21 -3.38 -0.04 0.00 1.25 0.00 0.00 42.46 40.08 2wiq s ILE 163 CO -0.00 -0.02 -0.06 -0.83 0.24 0.00 0.00 174.94 174.26 2wiq s GLY 164 N 1.58 1.82 -0.07 6.27 0.00 -1.26 0.27 107.32 115.94 2wiq s GLY 164 Ca 0.04 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.61 2wiq s GLY 164 CO 0.06 -1.10 -0.05 -1.36 0.00 0.00 0.00 173.10 170.65 2wiq s PHE 165 N -1.19 0.96 0.43 1.90 0.08 -0.46 -1.13 117.98 118.57 2wiq s PHE 165 Ca 0.22 -0.34 -0.22 0.00 0.12 0.00 0.00 56.93 56.71 2wiq s PHE 165 Cb -0.11 -0.86 -0.10 0.00 -0.57 0.00 0.00 43.02 41.38 2wiq s PHE 165 CO 0.14 -0.29 1.00 0.95 -0.10 0.00 0.00 175.22 176.91 2wiq s THR 166 N 1.27 4.06 0.31 0.64 -4.23 -0.91 -0.10 115.64 116.69 2wiq s THR 166 Ca -0.05 1.37 0.07 0.00 -1.18 0.00 0.00 61.69 61.90 2wiq s THR 166 Cb -0.14 -3.60 -0.02 0.00 1.34 0.00 0.00 72.50 70.08 2wiq s THR 166 CO -0.02 -0.19 0.33 0.42 -0.54 0.00 0.00 174.62 174.62 2wiq s THR 167 N -1.97 4.00 0.27 3.99 -4.23 -0.67 -0.29 115.64 116.74 2wiq s THR 167 Ca 0.62 -1.24 -0.02 0.00 -1.18 0.00 0.00 61.69 59.87 2wiq s THR 167 Cb -0.15 -3.35 0.27 0.00 1.34 0.00 0.00 72.50 70.62 2wiq s THR 167 CO 0.19 -0.21 1.90 0.00 -0.54 0.00 0.00 174.62 175.95 2wiq h ALA 168 N 1.18 1.41 -0.08 3.99 0.00 -1.24 -0.65 119.26 123.87 2wiq h ALA 168 Ca -0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2wiq h ALA 168 Cb 1.25 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2wiq h ALA 168 CO 0.57 0.47 0.01 -0.25 0.00 0.00 0.00 179.25 180.05 2wiq n ASP 169 N -4.48 1.82 -0.36 0.00 8.00 -1.26 -4.83 116.55 115.44 2wiq n ASP 169 Ca 0.14 -2.14 -0.05 0.00 0.71 0.00 0.00 54.79 53.46 2wiq n ASP 169 Cb 0.16 -0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 40.71 2wiq n ASP 169 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wiq n GLY 170 N 0.11 0.72 0.39 0.44 0.00 -0.25 -5.04 105.19 101.56 2wiq n GLY 170 Ca 0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 46.02 45.59 2wiq n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wiq n GLY 171 N -1.89 -0.17 2.82 -0.02 0.00 -1.25 -4.81 105.19 99.86 2wiq n GLY 171 Ca -0.05 -1.82 -0.17 0.00 0.00 0.00 0.00 46.02 43.98 2wiq n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wiq s LEU 172 N 0.00 1.18 -0.29 0.99 1.43 -1.26 -1.67 118.68 119.06 2wiq s LEU 172 Ca 0.07 -0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 2wiq s LEU 172 Cb -0.00 -0.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.96 2wiq s LEU 172 CO 0.05 -0.10 0.17 -0.32 0.23 0.00 0.00 176.35 176.38 2wiq s MET 173 N 1.00 3.74 -0.21 1.70 -2.45 0.86 -4.95 119.30 118.99 2wiq s MET 173 Ca -0.10 -0.46 -0.08 0.00 -1.25 0.00 0.00 55.69 53.80 2wiq s MET 173 Cb -0.14 -3.62 -0.04 0.00 1.25 0.00 0.00 34.83 32.29 2wiq s MET 173 CO -0.02 -0.26 0.08 1.41 1.05 0.00 0.00 175.02 177.28 2wiq s MET 174 N 1.71 3.90 -0.15 4.11 1.75 -1.26 -1.35 119.30 128.01 2wiq s MET 174 Ca 0.06 -0.37 -0.04 0.00 -1.25 0.00 0.00 55.69 54.09 2wiq s MET 174 Cb -0.16 -3.29 -0.03 0.00 2.84 0.00 0.00 34.83 34.19 2wiq s MET 174 CO 0.09 0.12 -0.01 0.20 -0.65 0.00 0.00 175.02 174.77 2wiq s GLY 175 N 0.81 1.78 -0.42 2.11 0.00 0.14 -1.20 107.32 110.54 2wiq s GLY 175 Ca 0.04 -0.80 -0.21 0.00 0.00 0.00 0.00 44.72 43.75 2wiq s GLY 175 CO 0.02 -0.11 0.64 0.30 0.00 0.00 0.00 173.10 173.95 2wiq s HIS 176 N 0.19 3.08 -0.20 1.90 3.76 0.13 -1.09 115.29 123.07 2wiq s HIS 176 Ca -0.00 0.04 -0.08 0.00 -0.15 0.00 0.00 55.06 54.87 2wiq s HIS 176 Cb -0.13 -3.31 -0.04 0.00 1.11 0.00 0.00 32.58 30.21 2wiq s HIS 176 CO 0.02 -0.82 0.07 0.12 -0.85 0.00 0.00 174.74 173.29 2wiq s PHE 177 N 2.80 3.23 -0.08 1.40 2.19 -0.41 -1.26 117.98 125.86 2wiq s PHE 177 Ca 0.23 0.03 -0.03 0.00 0.33 0.00 0.00 56.93 57.49 2wiq s PHE 177 Cb -0.14 -2.12 0.04 0.00 -1.31 0.00 0.00 43.02 39.49 2wiq s PHE 177 CO 0.18 0.08 0.08 0.34 1.83 0.00 0.00 175.22 177.74 2wiq s ASP 178 N 0.59 1.32 -0.05 6.13 -1.08 -0.19 -1.73 116.67 121.65 2wiq s ASP 178 Ca 0.04 -0.02 -0.02 0.00 -0.52 0.00 0.00 52.55 52.03 2wiq s ASP 178 Cb -0.13 -0.09 0.04 0.00 -1.46 0.00 0.00 42.92 41.28 2wiq s ASP 178 CO 0.01 -0.27 0.10 -0.55 0.52 0.00 0.00 175.17 174.99 2wiq s SER 179 N 2.19 0.13 -0.22 -0.34 0.15 -0.25 -0.61 113.70 114.76 2wiq s SER 179 Ca 0.04 0.20 -0.06 0.00 0.70 0.00 0.00 55.95 56.84 2wiq s SER 179 Cb -0.13 0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.25 2wiq s SER 179 CO -0.05 -0.16 0.03 -0.54 1.20 0.00 0.00 173.24 173.72 2wiq s LYS 180 N 1.34 3.65 -0.21 5.44 3.01 -0.53 -0.01 119.74 132.42 2wiq s LYS 180 Ca -0.07 -0.50 -0.07 0.00 -1.01 0.00 0.00 55.97 54.32 2wiq s LYS 180 Cb -0.12 -3.16 -0.04 0.00 -1.01 0.00 0.00 37.83 33.50 2wiq s LYS 180 CO -0.05 -0.04 0.07 -1.64 0.51 0.00 0.00 175.35 174.20 2wiq s MET 181 N 1.16 3.83 -0.05 1.68 -1.94 -0.82 -1.15 119.30 122.01 2wiq s MET 181 Ca 0.03 -0.40 0.05 0.00 -1.71 0.00 0.00 55.69 53.65 2wiq s MET 181 Cb -0.14 -3.27 -0.00 0.00 2.01 0.00 0.00 34.83 33.42 2wiq s MET 181 CO 0.02 0.06 -0.18 0.99 -0.01 0.00 0.00 175.02 175.90 2wiq s THR 182 N 0.95 1.53 0.11 2.05 2.01 0.06 -1.93 115.64 120.43 2wiq s THR 182 Ca 0.04 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 2wiq s THR 182 Cb -0.14 -1.31 -0.07 0.00 0.01 0.00 0.00 72.50 70.99 2wiq s THR 182 CO 0.03 0.44 1.17 0.12 -0.69 0.00 0.00 174.62 175.68 2wiq s PHE 183 N 0.03 3.48 -0.40 4.92 5.36 0.06 -1.30 117.98 130.12 2wiq s PHE 183 Ca -0.04 1.41 0.03 0.00 -0.96 0.00 0.00 56.93 57.37 2wiq s PHE 183 Cb -0.12 -3.38 0.58 0.00 -0.34 0.00 0.00 43.02 39.76 2wiq s PHE 183 CO 0.03 -1.06 1.81 -1.71 -1.46 0.00 0.00 175.22 172.83 2wiq n ASN 184 N 3.24 3.78 -4.67 6.13 5.15 -0.74 -4.93 115.26 123.22 2wiq n ASN 184 Ca 0.06 -3.41 -0.31 0.00 -0.60 0.00 0.00 54.58 50.32 2wiq n ASN 184 Cb 0.46 -0.80 -0.08 0.00 -0.53 0.00 0.00 39.78 38.82 2wiq n ASN 184 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2wiq s GLY 185 N -1.02 2.86 -0.02 8.20 0.00 -1.26 -4.84 107.32 111.24 2wiq s GLY 185 Ca 0.50 -0.90 0.20 0.00 0.00 0.00 0.00 44.72 44.52 2wiq s GLY 185 CO 0.09 -2.14 0.56 -1.14 0.00 0.00 0.00 173.10 170.48 2wiq n SER 186 N -1.19 0.61 -4.64 1.64 3.41 -1.26 -4.99 113.62 107.20 2wiq n SER 186 Ca -0.15 -0.32 -0.39 0.00 -0.26 0.00 0.00 58.87 57.76 2wiq n SER 186 Cb 0.67 1.61 0.04 0.00 -0.26 0.00 0.00 64.21 66.26 2wiq n SER 186 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2wiq n ARG 187 N -1.94 1.19 -2.23 4.33 1.74 -1.26 -4.99 116.66 113.49 2wiq n ARG 187 Ca -0.01 0.44 -0.42 0.00 -0.77 0.00 0.00 57.85 57.09 2wiq n ARG 187 Cb 0.44 -2.23 -0.03 0.00 -1.02 0.00 0.00 32.46 29.62 2wiq n ARG 187 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wiq s ALA 188 N -1.41 3.54 0.19 7.54 0.00 -1.26 -5.04 121.76 125.32 2wiq s ALA 188 Ca 0.72 1.05 0.08 0.00 0.00 0.00 0.00 51.96 53.82 2wiq s ALA 188 Cb -0.45 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 2wiq s ALA 188 CO 0.50 -0.56 -0.16 0.96 0.00 0.00 0.00 175.76 176.49 2wiq s ILE 189 N 0.97 1.83 -0.13 0.00 -4.36 -1.26 -5.12 121.20 113.13 2wiq s ILE 189 Ca 0.62 -2.11 -0.29 0.00 -0.26 0.00 0.00 60.65 58.61 2wiq s ILE 189 Cb -0.35 -1.98 -0.02 0.00 1.25 0.00 0.00 42.46 41.36 2wiq s ILE 189 CO 0.31 -0.47 1.26 -0.70 0.24 0.00 0.00 174.94 175.58 2wiq s GLU 190 N -3.29 4.26 -0.22 0.37 2.12 -1.26 -4.93 118.70 115.76 2wiq s GLU 190 Ca 0.20 1.68 -0.17 0.00 0.36 0.00 0.00 54.97 57.04 2wiq s GLU 190 Cb -0.03 -3.71 -0.03 0.00 0.26 0.00 0.00 34.13 30.61 2wiq s GLU 190 CO 0.07 -0.64 0.46 0.42 -0.54 0.00 0.00 175.26 175.03 2wiq s ILE 191 N 3.17 5.14 0.56 -3.70 -1.09 -1.26 -4.77 121.20 119.26 2wiq s ILE 191 Ca 0.55 0.81 -0.18 0.00 -2.23 0.00 0.00 60.65 59.60 2wiq s ILE 191 Cb -0.23 -3.78 -0.05 0.00 -1.58 0.00 0.00 42.46 36.82 2wiq s ILE 191 CO 0.17 0.19 1.12 -2.16 -1.23 0.00 0.00 174.94 173.03 2wiq s PRO 192 N 1.64 3.27 1.09 2.79 0.04 -1.26 -4.98 135.00 137.58 2wiq s PRO 192 Ca 0.21 1.54 -0.15 0.00 0.04 0.00 0.00 61.00 62.64 2wiq s PRO 192 Cb -0.15 -2.00 0.23 0.00 0.04 0.00 0.00 34.50 32.62 2wiq s PRO 192 CO 0.09 -0.90 1.09 0.20 0.04 0.00 0.00 177.00 177.52 2wiq s GLY 193 N -1.97 1.56 0.13 0.56 0.00 -1.26 -3.91 107.32 102.43 2wiq s GLY 193 Ca 0.71 -0.56 -0.34 0.00 0.00 0.00 0.00 44.72 44.52 2wiq s GLY 193 CO 0.30 0.16 1.13 -1.05 0.00 0.00 0.00 173.10 173.63 2wiq n PRO 194 N -4.45 0.87 -0.77 2.90 -0.02 -1.26 -4.72 135.00 127.56 2wiq n PRO 194 Ca 0.07 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2wiq n PRO 194 Cb 0.58 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 2wiq n PRO 194 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2wiq n HIS 195 N 1.56 -0.60 -4.09 6.00 1.44 -0.35 -4.96 115.22 114.23 2wiq n HIS 195 Ca 0.17 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.75 2wiq n HIS 195 Cb 0.21 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.21 2wiq n HIS 195 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2wiq s PHE 196 N -6.42 0.75 -0.20 -1.40 0.40 -0.47 -0.92 117.98 109.73 2wiq s PHE 196 Ca 0.00 -0.57 0.01 0.00 -0.60 0.00 0.00 56.93 55.77 2wiq s PHE 196 Cb 0.00 -0.44 0.04 0.00 0.51 0.00 0.00 43.02 43.12 2wiq s PHE 196 CO 0.00 -0.08 -0.15 0.08 0.70 0.00 0.00 175.22 175.77 2wiq s VAL 197 N -1.79 1.92 0.10 -0.44 1.01 -0.42 -1.24 120.40 119.53 2wiq s VAL 197 Ca -0.05 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 2wiq s VAL 197 Cb -0.07 -1.88 -0.06 0.00 0.00 0.00 0.00 36.38 34.38 2wiq s VAL 197 CO -0.00 0.30 1.04 -0.89 0.00 0.00 0.00 175.10 175.54 2wiq s THR 198 N 1.30 4.35 -0.07 3.92 2.01 0.53 -1.15 115.64 126.53 2wiq s THR 198 Ca 0.00 1.86 -0.00 0.00 0.31 0.00 0.00 61.69 63.85 2wiq s THR 198 Cb -0.15 -4.19 0.03 0.00 0.01 0.00 0.00 72.50 68.19 2wiq s THR 198 CO -0.10 0.24 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.42 2wiq s ILE 199 N 0.33 0.53 -0.12 1.82 1.01 -0.21 -1.61 121.20 122.95 2wiq s ILE 199 Ca 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.14 2wiq s ILE 199 Cb -0.25 -0.63 0.02 0.00 0.01 0.00 0.00 42.46 41.61 2wiq s ILE 199 CO 0.31 0.27 -0.10 -0.63 0.00 0.00 0.00 174.94 174.79 2wiq s ILE 200 N 1.61 1.20 0.03 2.92 1.01 -0.14 -1.35 121.20 126.49 2wiq s ILE 200 Ca 0.00 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.31 2wiq s ILE 200 Cb -0.13 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 2wiq s ILE 200 CO -0.04 0.39 -0.18 -0.89 0.00 0.00 0.00 174.94 174.22 2wiq s THR 201 N 1.55 1.43 -0.07 2.92 2.01 -1.26 -0.73 115.64 121.49 2wiq s THR 201 Ca 0.03 -1.02 -0.03 0.00 0.31 0.00 0.00 61.69 60.98 2wiq s THR 201 Cb -0.13 -1.24 0.04 0.00 0.01 0.00 0.00 72.50 71.18 2wiq s THR 201 CO -0.08 0.19 0.15 -0.75 -0.69 0.00 0.00 174.62 173.45 2wiq s LYS 202 N -0.96 0.07 -0.10 4.92 2.20 -0.19 -4.72 119.74 120.96 2wiq s LYS 202 Ca 0.06 0.44 -0.01 0.00 -0.36 0.00 0.00 55.97 56.09 2wiq s LYS 202 Cb -0.08 -0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.00 2wiq s LYS 202 CO 0.01 -0.21 -0.07 -0.65 -0.36 0.00 0.00 175.35 174.06 2wiq s GLN 203 N 1.55 3.12 -0.12 4.03 -0.21 -1.26 -0.71 119.66 126.06 2wiq s GLN 203 Ca -0.05 -0.57 0.02 0.00 0.02 0.00 0.00 55.36 54.78 2wiq s GLN 203 Cb -0.12 -2.69 0.01 0.00 1.00 0.00 0.00 33.01 31.22 2wiq s GLN 203 CO -0.06 0.46 -0.18 1.41 -2.12 0.00 0.00 175.29 174.81 2wiq s MET 204 N -0.27 2.51 0.15 2.91 -2.45 0.22 -4.97 119.30 117.41 2wiq s MET 204 Ca 0.04 -0.67 -0.31 0.00 -1.25 0.00 0.00 55.69 53.50 2wiq s MET 204 Cb -0.13 -2.11 -0.09 0.00 1.25 0.00 0.00 34.83 33.76 2wiq s MET 204 CO 0.03 -0.06 1.39 0.50 1.05 0.00 0.00 175.02 177.92 2wiq s ARG 205 N 0.98 4.32 0.32 4.11 6.06 -1.26 0.09 118.95 133.57 2wiq s ARG 205 Ca -0.06 2.12 0.08 0.00 -2.50 0.00 0.00 55.73 55.37 2wiq s ARG 205 Cb -0.15 -3.21 -0.04 0.00 0.06 0.00 0.00 34.95 31.61 2wiq s ARG 205 CO -0.03 -0.41 0.18 0.34 -2.50 0.00 0.00 175.30 172.89 2wiq s ASP 206 N 0.86 4.98 -0.36 -2.12 -1.08 0.97 -4.89 116.67 115.04 2wiq s ASP 206 Ca 0.63 -0.59 -0.30 0.00 -0.52 0.00 0.00 52.55 51.77 2wiq s ASP 206 Cb -0.38 -0.91 -0.08 0.00 -1.46 0.00 0.00 42.92 40.08 2wiq s ASP 206 CO 0.33 -0.25 2.29 0.35 0.52 0.00 0.00 175.17 178.41 2wiq n THR 207 N -1.20 0.17 -3.76 1.71 -2.24 -1.26 -4.52 114.28 103.18 2wiq n THR 207 Ca -0.04 -0.47 -0.25 0.00 -2.27 0.00 0.00 64.05 61.03 2wiq n THR 207 Cb 0.60 -2.26 -0.00 0.00 -2.10 0.00 0.00 70.33 66.57 2wiq n THR 207 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2wiq s SER 208 N 9.06 4.71 0.00 3.42 0.01 -1.26 -4.73 113.70 124.91 2wiq s SER 208 Ca 1.05 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2wiq s SER 208 Cb -0.49 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.05 2wiq s SER 208 CO 0.38 -1.09 0.00 -0.67 0.41 0.00 0.00 173.24 172.26 2wiq n ASP 209 N -1.80 0.00 0.08 2.44 4.64 -1.26 -4.95 116.55 115.70 2wiq n ASP 209 Ca 0.01 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.30 2wiq n ASP 209 Cb 0.64 0.00 -0.13 0.00 -1.04 0.00 0.00 41.12 40.59 2wiq n ASP 209 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 2wiq h LYS 210 N 0.00 0.15 -6.43 -0.67 1.79 -1.98 -3.46 116.57 105.97 2wiq h LYS 210 Ca 0.00 -0.25 -0.70 0.00 -2.18 0.00 0.00 60.65 57.52 2wiq h LYS 210 Cb 0.00 0.09 -0.30 0.00 -1.58 0.00 0.00 32.23 30.45 2wiq h LYS 210 CO 0.00 1.11 -0.88 1.03 -1.08 0.00 0.00 179.45 179.63 2wiq s ARG 211 N -2.68 2.26 0.20 3.15 0.52 -1.26 -4.25 118.95 116.89 2wiq s ARG 211 Ca -0.02 -0.91 -0.32 0.00 -0.52 0.00 0.00 55.73 53.96 2wiq s ARG 211 Cb 0.08 -2.10 -0.12 0.00 0.52 0.00 0.00 34.95 33.34 2wiq s ARG 211 CO 0.85 0.51 1.73 -0.25 0.02 0.00 0.00 175.30 178.17 2wiq n ASP 212 N 2.57 3.99 -4.14 0.23 8.00 -0.44 -4.59 116.55 122.17 2wiq n ASP 212 Ca -0.16 1.06 -0.33 0.00 0.71 0.00 0.00 54.79 56.06 2wiq n ASP 212 Cb 0.51 -1.57 -0.16 0.00 -0.02 0.00 0.00 41.12 39.88 2wiq n ASP 212 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2wiq s HIS 213 N 1.24 2.76 -0.02 1.24 3.76 -1.26 -1.29 115.29 121.72 2wiq s HIS 213 Ca 0.75 -1.53 0.04 0.00 -0.15 0.00 0.00 55.06 54.17 2wiq s HIS 213 Cb -0.51 -1.90 -0.01 0.00 1.11 0.00 0.00 32.58 31.27 2wiq s HIS 213 CO 0.32 -0.74 -0.13 0.08 -0.85 0.00 0.00 174.74 173.42 2wiq s VAL 214 N 1.17 1.08 -0.03 -0.90 1.01 -0.43 -0.02 120.40 122.28 2wiq s VAL 214 Ca 0.02 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2wiq s VAL 214 Cb -0.14 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 2wiq s VAL 214 CO -0.10 0.31 -0.06 0.00 0.00 0.00 0.00 175.10 175.25 2wiq s GLN 216 N -1.18 0.62 -0.06 0.00 0.74 -0.27 0.73 119.66 120.24 2wiq s GLN 216 Ca 0.15 -0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.44 2wiq s GLN 216 Cb -0.11 -0.64 -0.03 0.00 1.10 0.00 0.00 33.01 33.33 2wiq s GLN 216 CO 0.05 0.00 -0.04 0.50 -0.55 0.00 0.00 175.29 175.26 2wiq s ARG 217 N 0.48 2.82 -0.04 1.67 3.52 0.11 -0.86 118.95 126.65 2wiq s ARG 217 Ca -0.06 -0.52 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 2wiq s ARG 217 Cb -0.09 -2.66 0.03 0.00 -1.56 0.00 0.00 34.95 30.66 2wiq s ARG 217 CO -0.00 0.67 -0.01 -2.00 -0.81 0.00 0.00 175.30 173.15 2wiq s GLU 218 N -0.95 0.45 -0.23 5.12 2.12 -0.63 -1.02 118.70 123.56 2wiq s GLU 218 Ca 0.14 0.04 -0.09 0.00 0.36 0.00 0.00 54.97 55.42 2wiq s GLU 218 Cb -0.11 -0.61 -0.04 0.00 0.26 0.00 0.00 34.13 33.63 2wiq s GLU 218 CO 0.03 -0.14 0.12 0.08 -0.54 0.00 0.00 175.26 174.80 2wiq s VAL 219 N 1.10 4.94 -0.05 3.70 1.01 0.10 -1.85 120.40 129.34 2wiq s VAL 219 Ca -0.09 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 2wiq s VAL 219 Cb -0.14 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 32.99 2wiq s VAL 219 CO -0.02 0.36 0.10 0.00 0.00 0.00 0.00 175.10 175.55 2wiq s ALA 220 N 1.11 -0.13 -0.07 5.51 0.00 -0.79 -0.96 121.76 126.43 2wiq s ALA 220 Ca 0.06 0.53 -0.20 0.00 0.00 0.00 0.00 51.96 52.35 2wiq s ALA 220 Cb -0.14 -0.40 0.04 0.00 0.00 0.00 0.00 23.12 22.63 2wiq s ALA 220 CO 0.04 -0.16 0.47 1.52 0.00 0.00 0.00 175.76 177.63 2wiq s TYR 221 N 1.20 -0.42 0.18 0.00 1.13 -0.64 -1.49 117.35 117.32 2wiq s TYR 221 Ca -0.08 0.82 -0.14 0.00 -1.41 0.00 0.00 57.07 56.25 2wiq s TYR 221 Cb -0.12 0.21 -0.07 0.00 -1.10 0.00 0.00 41.96 40.88 2wiq s TYR 221 CO -0.05 -0.42 0.58 0.00 -2.51 0.00 0.00 175.55 173.15 2wiq s ALA 222 N -0.84 3.54 0.09 9.51 0.00 -0.67 -0.34 121.76 133.05 2wiq s ALA 222 Ca -0.09 -0.12 -0.13 0.00 0.00 0.00 0.00 51.96 51.63 2wiq s ALA 222 Cb -0.03 -2.55 0.02 0.00 0.00 0.00 0.00 23.12 20.55 2wiq s ALA 222 CO 0.05 0.45 0.29 -3.38 0.00 0.00 0.00 175.76 173.17 2wiq s HIS 223 N -1.57 -0.04 0.00 0.00 -3.43 -0.37 -4.49 115.29 105.39 2wiq s HIS 223 Ca 0.41 -0.27 0.00 0.00 -0.80 0.00 0.00 55.06 54.40 2wiq s HIS 223 Cb -0.14 0.09 0.00 0.00 -1.43 0.00 0.00 32.58 31.10 2wiq s HIS 223 CO 0.20 -0.59 0.00 -1.13 -2.00 0.00 0.00 174.74 171.22 2wiq n SER 224 N 0.05 0.00 -3.64 7.38 3.41 -1.26 -1.36 113.62 118.19 2wiq n SER 224 Ca -0.16 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.39 2wiq n SER 224 Cb 0.62 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.50 2wiq n SER 224 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wiq s VAL 225 N 3.23 0.00 0.87 -3.33 1.01 -1.26 -4.85 120.40 116.07 2wiq s VAL 225 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 2wiq s VAL 225 Cb 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.39 2wiq s VAL 225 CO 0.00 0.00 0.44 -2.65 0.00 0.00 0.00 175.10 172.89 2wiq n PRO 226 N 1.90 -0.06 -4.44 2.72 -0.02 -1.26 -5.05 135.00 128.79 2wiq n PRO 226 Ca -0.11 0.03 -0.23 0.00 -2.02 0.00 0.00 63.50 61.16 2wiq n PRO 226 Cb 0.56 -1.84 -0.10 0.00 -0.02 0.00 0.00 33.50 32.10 2wiq n PRO 226 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wiq s ARG 227 N -3.31 1.58 -0.14 -0.52 0.52 -1.26 -5.13 118.95 110.69 2wiq s ARG 227 Ca 0.60 -1.70 -0.14 0.00 -0.52 0.00 0.00 55.73 53.97 2wiq s ARG 227 Cb -0.26 -1.63 -0.05 0.00 0.52 0.00 0.00 34.95 33.53 2wiq s ARG 227 CO 0.64 0.31 0.33 0.42 0.02 0.00 0.00 175.30 177.01 2wiq s ILE 228 N -2.51 5.27 0.00 1.52 1.01 -1.26 -5.35 121.20 119.89 2wiq s ILE 228 Ca 0.27 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.54 2wiq s ILE 228 Cb -0.04 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2wiq s ILE 228 CO 0.13 0.40 0.44 0.35 0.00 0.00 0.00 174.94 176.26