#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fl1 s ALA 5 N 0.00 1.31 -1.48 7.33 0.00 -0.93 -4.74 121.76 123.25 2fl1 s ALA 5 Ca 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 2fl1 s ALA 5 Cb 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.46 2fl1 s ALA 5 CO 0.00 -0.05 0.57 0.72 0.00 0.00 0.00 175.76 177.00 2fl1 n HIS 6 N 4.16 -1.92 -1.31 0.00 -0.00 -1.26 -1.27 115.22 113.62 2fl1 n HIS 6 Ca -0.20 0.51 -0.11 0.00 -0.00 0.00 0.00 57.72 57.92 2fl1 n HIS 6 Cb 0.51 -4.06 -0.05 0.00 -0.00 0.00 0.00 29.99 26.40 2fl1 n HIS 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2fl1 n GLY 7 N -1.42 1.21 3.41 -1.41 0.00 -1.26 -3.13 105.19 102.58 2fl1 n GLY 7 Ca -0.09 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 2fl1 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fl1 s LEU 8 N -2.44 2.42 0.37 0.99 1.43 -0.39 -4.72 118.68 116.34 2fl1 s LEU 8 Ca 0.00 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 2fl1 s LEU 8 Cb 0.00 -1.42 -0.07 0.00 0.03 0.00 0.00 46.19 44.74 2fl1 s LEU 8 CO 0.00 0.26 0.04 0.42 0.23 0.00 0.00 176.35 177.30 2fl1 s THR 9 N -0.87 1.50 -2.00 5.49 -4.23 -1.26 -2.19 115.64 112.08 2fl1 s THR 9 Ca 0.13 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.70 2fl1 s THR 9 Cb -0.10 -2.85 0.16 0.00 1.34 0.00 0.00 72.50 71.05 2fl1 s THR 9 CO 0.04 0.00 1.14 -0.90 -0.54 0.00 0.00 174.62 174.35 2fl1 n ASP 10 N -0.84 0.95 -3.19 3.99 3.85 -1.26 -4.36 116.55 115.69 2fl1 n ASP 10 Ca -0.04 -1.99 -0.16 0.00 -0.71 0.00 0.00 54.79 51.88 2fl1 n ASP 10 Cb 0.67 -0.12 -0.06 0.00 -1.35 0.00 0.00 41.12 40.26 2fl1 n ASP 10 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2fl1 s ASP 11 N -1.01 0.43 0.34 -1.12 3.68 -1.25 -4.09 116.67 113.65 2fl1 s ASP 11 Ca 0.12 -2.16 0.09 0.00 2.13 0.00 0.00 52.55 52.72 2fl1 s ASP 11 Cb 0.06 0.62 -0.05 0.00 -1.45 0.00 0.00 42.92 42.10 2fl1 s ASP 11 CO 0.08 -0.16 0.08 -0.04 0.13 0.00 0.00 175.17 175.26 2fl1 s MET 12 N 0.77 2.21 0.35 4.34 -1.94 -0.81 -4.95 119.30 119.27 2fl1 s MET 12 Ca 0.27 -1.67 0.09 0.00 -1.71 0.00 0.00 55.69 52.66 2fl1 s MET 12 Cb -0.04 -2.04 -0.05 0.00 2.01 0.00 0.00 34.83 34.71 2fl1 s MET 12 CO -0.10 0.11 0.06 0.95 -0.01 0.00 0.00 175.02 176.03 2fl1 s THR 13 N -2.48 2.63 0.08 2.05 -4.23 -1.19 -1.35 115.64 111.14 2fl1 s THR 13 Ca 0.36 -1.89 0.01 0.00 -1.18 0.00 0.00 61.69 58.99 2fl1 s THR 13 Cb -0.01 -2.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.93 2fl1 s THR 13 CO 0.21 -0.16 -0.05 -0.04 -0.54 0.00 0.00 174.62 174.03 2fl1 s MET 14 N -3.76 0.75 -0.06 3.99 -1.94 0.40 -1.02 119.30 117.67 2fl1 s MET 14 Ca 0.36 -1.29 0.02 0.00 -1.71 0.00 0.00 55.69 53.06 2fl1 s MET 14 Cb 0.00 -0.06 0.02 0.00 2.01 0.00 0.00 34.83 36.80 2fl1 s MET 14 CO 0.20 -0.05 -0.08 -1.58 -0.01 0.00 0.00 175.02 173.50 2fl1 s HIS 15 N -3.71 1.10 0.14 -0.03 2.46 -0.07 -2.17 115.29 113.01 2fl1 s HIS 15 Ca 0.10 -0.37 0.11 0.00 0.47 0.00 0.00 55.06 55.36 2fl1 s HIS 15 Cb 0.06 -0.87 -0.04 0.00 -0.13 0.00 0.00 32.58 31.60 2fl1 s HIS 15 CO -0.07 -0.24 -0.25 -0.06 -2.47 0.00 0.00 174.74 171.66 2fl1 s PHE 16 N 0.81 2.35 -0.26 3.88 0.08 -0.63 -0.57 117.98 123.64 2fl1 s PHE 16 Ca -0.13 -0.36 -0.07 0.00 0.12 0.00 0.00 56.93 56.50 2fl1 s PHE 16 Cb -0.15 -1.25 0.12 0.00 -0.57 0.00 0.00 43.02 41.17 2fl1 s PHE 16 CO 0.02 0.38 0.53 0.50 -0.10 0.00 0.00 175.22 176.54 2fl1 s ARG 17 N -2.18 0.46 -0.03 0.44 3.52 -0.99 -1.87 118.95 118.29 2fl1 s ARG 17 Ca 0.16 1.16 0.06 0.00 -0.13 0.00 0.00 55.73 56.98 2fl1 s ARG 17 Cb -0.10 0.50 -0.01 0.00 -1.56 0.00 0.00 34.95 33.78 2fl1 s ARG 17 CO 0.07 -0.31 -0.23 1.41 -0.81 0.00 0.00 175.30 175.44 2fl1 s MET 18 N 2.75 2.01 -0.06 5.12 -2.45 0.34 -1.01 119.30 125.99 2fl1 s MET 18 Ca 0.01 -0.81 0.06 0.00 -1.25 0.00 0.00 55.69 53.69 2fl1 s MET 18 Cb -0.13 -1.85 -0.01 0.00 1.25 0.00 0.00 34.83 34.09 2fl1 s MET 18 CO -0.17 0.43 -0.24 -1.21 1.05 0.00 0.00 175.02 174.89 2fl1 s GLU 19 N -0.37 2.56 0.39 4.11 2.02 -0.82 -0.39 118.70 126.20 2fl1 s GLU 19 Ca 0.04 -0.88 -0.12 0.00 0.02 0.00 0.00 54.97 54.04 2fl1 s GLU 19 Cb -0.10 -2.20 0.05 0.00 0.10 0.00 0.00 34.13 31.97 2fl1 s GLU 19 CO 0.01 0.41 0.72 0.20 0.02 0.00 0.00 175.26 176.62 2fl1 s GLY 20 N -0.22 0.71 -0.30 -1.39 0.00 -0.07 -1.59 107.32 104.46 2fl1 s GLY 20 Ca -0.02 -0.99 -0.13 0.00 0.00 0.00 0.00 44.72 43.59 2fl1 s GLY 20 CO 0.03 -0.50 0.80 0.00 0.00 0.00 0.00 173.10 173.43 2fl1 s VAL 22 N 2.57 2.38 -1.60 0.00 1.01 -0.32 -2.22 120.40 122.22 2fl1 s VAL 22 Ca -0.05 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 2fl1 s VAL 22 Cb -0.09 -2.01 0.09 0.00 0.00 0.00 0.00 36.38 34.37 2fl1 s VAL 22 CO -0.18 0.52 0.54 0.47 0.00 0.00 0.00 175.10 176.44 2fl1 n ASP 23 N 4.46 -1.58 0.00 3.32 8.00 -0.83 -0.08 116.55 129.85 2fl1 n ASP 23 Ca -0.20 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.23 2fl1 n ASP 23 Cb 0.51 -2.61 0.00 0.00 -0.02 0.00 0.00 41.12 39.00 2fl1 n ASP 23 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2fl1 n GLY 24 N -1.74 2.32 3.53 0.44 0.00 -1.26 -5.01 105.19 103.47 2fl1 n GLY 24 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2fl1 n GLY 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2fl1 s HIS 25 N -2.27 2.86 0.66 1.61 5.04 0.89 -5.03 115.29 119.05 2fl1 s HIS 25 Ca 0.00 0.04 -0.12 0.00 -1.54 0.00 0.00 55.06 53.45 2fl1 s HIS 25 Cb 0.00 -3.95 -0.01 0.00 0.04 0.00 0.00 32.58 28.65 2fl1 s HIS 25 CO 0.00 -1.23 1.05 0.15 -2.34 0.00 0.00 174.74 172.37 2fl1 s LYS 26 N 3.72 3.18 -0.23 2.88 1.02 -1.26 -1.17 119.74 127.88 2fl1 s LYS 26 Ca 0.30 0.93 -0.28 0.00 0.02 0.00 0.00 55.97 56.94 2fl1 s LYS 26 Cb -0.12 -2.02 0.15 0.00 -0.52 0.00 0.00 37.83 35.31 2fl1 s LYS 26 CO 0.20 -0.91 1.15 -0.59 -0.92 0.00 0.00 175.35 174.28 2fl1 s PHE 27 N -3.00 -0.27 -0.08 3.18 -0.12 -0.52 -4.38 117.98 112.78 2fl1 s PHE 27 Ca 0.58 0.54 0.02 0.00 -0.05 0.00 0.00 56.93 58.02 2fl1 s PHE 27 Cb -0.13 0.45 0.01 0.00 -0.63 0.00 0.00 43.02 42.72 2fl1 s PHE 27 CO 0.52 -0.21 -0.13 0.08 -0.05 0.00 0.00 175.22 175.44 2fl1 s VAL 28 N -0.68 1.21 -0.03 -2.49 1.01 0.42 -0.89 120.40 118.94 2fl1 s VAL 28 Ca 0.03 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.58 2fl1 s VAL 28 Cb -0.02 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 2fl1 s VAL 28 CO -0.04 0.38 -0.24 -0.63 0.00 0.00 0.00 175.10 174.56 2fl1 s ILE 29 N 0.84 1.92 0.12 2.22 1.01 0.48 -1.08 121.20 126.70 2fl1 s ILE 29 Ca -0.11 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.55 2fl1 s ILE 29 Cb -0.15 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 2fl1 s ILE 29 CO 0.02 0.54 -0.09 -1.61 0.00 0.00 0.00 174.94 173.80 2fl1 s GLU 30 N -0.42 0.94 0.00 2.79 2.02 -1.07 0.13 118.70 123.08 2fl1 s GLU 30 Ca 0.05 -1.37 0.00 0.00 0.02 0.00 0.00 54.97 53.67 2fl1 s GLU 30 Cb -0.11 -0.43 0.00 0.00 0.10 0.00 0.00 34.13 33.69 2fl1 s GLU 30 CO 0.00 0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.73 2fl1 n GLY 31 N -0.05 1.02 3.42 -1.39 0.00 -0.78 -1.43 105.19 105.98 2fl1 n GLY 31 Ca -0.12 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 2fl1 n GLY 31 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2fl1 n ASN 32 N -0.07 -2.06 0.00 1.61 6.94 -0.54 -1.60 115.26 119.54 2fl1 n ASN 32 Ca 0.00 -2.40 0.00 0.00 -0.02 0.00 0.00 54.58 52.16 2fl1 n ASN 32 Cb 0.00 3.42 0.00 0.00 -2.36 0.00 0.00 39.78 40.84 2fl1 n ASN 32 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2fl1 n GLY 33 N -0.50 -1.24 3.29 4.83 0.00 -0.92 -0.95 105.19 109.70 2fl1 n GLY 33 Ca -0.08 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 2fl1 n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fl1 s ASN 34 N -2.64 -0.20 0.01 1.61 4.22 -0.81 -0.45 114.94 116.68 2fl1 s ASN 34 Ca 0.00 -0.11 -0.28 0.00 -2.14 0.00 0.00 52.86 50.32 2fl1 s ASN 34 Cb 0.00 0.39 0.10 0.00 1.28 0.00 0.00 41.25 43.03 2fl1 s ASN 34 CO 0.00 -0.65 1.25 -0.83 -2.04 0.00 0.00 177.10 174.83 2fl1 s GLY 35 N -2.08 -0.23 -0.34 0.45 0.00 -0.46 -0.31 107.32 104.35 2fl1 s GLY 35 Ca -0.05 0.29 0.02 0.00 0.00 0.00 0.00 44.72 44.98 2fl1 s GLY 35 CO -0.03 2.61 0.06 0.21 0.00 0.00 0.00 173.10 175.95 2fl1 s ASN 36 N -3.36 4.85 0.36 1.64 3.84 0.13 -1.93 114.94 120.47 2fl1 s ASN 36 Ca 0.21 -1.99 0.03 0.00 0.21 0.00 0.00 52.86 51.32 2fl1 s ASN 36 Cb 0.02 -1.67 0.67 0.00 -0.55 0.00 0.00 41.25 39.72 2fl1 s ASN 36 CO -0.01 -0.39 2.00 1.55 -2.79 0.00 0.00 177.10 177.46 2fl1 h PRO 37 N 7.75 0.80 0.00 0.43 0.13 -1.80 -1.57 132.00 137.73 2fl1 h PRO 37 Ca -0.09 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2fl1 h PRO 37 Cb 1.03 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2fl1 h PRO 37 CO 0.55 0.53 0.00 1.19 -0.23 0.00 0.00 178.00 180.04 2fl1 n PHE 38 N -4.45 0.00 -0.02 1.56 3.01 -1.26 -0.93 117.46 115.37 2fl1 n PHE 38 Ca 0.07 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.54 2fl1 n PHE 38 Cb 0.09 -0.46 0.02 0.00 -0.01 0.00 0.00 39.48 39.12 2fl1 n PHE 38 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2fl1 n LYS 39 N -1.46 2.76 -4.03 -1.08 5.02 -0.66 -4.65 118.16 114.06 2fl1 n LYS 39 Ca 0.03 -1.51 -0.31 0.00 -2.02 0.00 0.00 58.31 54.50 2fl1 n LYS 39 Cb 0.12 -1.03 -0.00 0.00 -0.02 0.00 0.00 35.03 34.09 2fl1 n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2fl1 n GLY 40 N -0.35 -0.41 2.87 0.72 0.00 -0.10 -4.54 105.19 103.38 2fl1 n GLY 40 Ca 0.01 0.16 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 2fl1 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fl1 s LYS 41 N -6.68 0.64 0.05 1.61 -2.85 -1.04 -0.48 119.74 110.98 2fl1 s LYS 41 Ca 0.52 -0.04 0.01 0.00 -1.00 0.00 0.00 55.97 55.45 2fl1 s LYS 41 Cb -0.27 -0.70 -0.03 0.00 -2.06 0.00 0.00 37.83 34.77 2fl1 s LYS 41 CO 0.88 -0.09 -0.05 1.14 0.10 0.00 0.00 175.35 177.32 2fl1 s GLN 42 N 0.93 0.55 -0.15 1.78 -2.07 -0.82 -0.69 119.66 119.19 2fl1 s GLN 42 Ca -0.11 -0.94 0.02 0.00 -1.82 0.00 0.00 55.36 52.51 2fl1 s GLN 42 Cb -0.14 -0.04 0.01 0.00 -1.09 0.00 0.00 33.01 31.75 2fl1 s GLN 42 CO -0.00 -0.03 -0.20 -0.06 -1.32 0.00 0.00 175.29 173.67 2fl1 s PHE 43 N -2.45 2.59 -0.07 9.60 0.40 0.58 -1.98 117.98 126.66 2fl1 s PHE 43 Ca -0.03 -1.38 0.05 0.00 -0.60 0.00 0.00 56.93 54.97 2fl1 s PHE 43 Cb -0.03 -1.79 -0.01 0.00 0.51 0.00 0.00 43.02 41.71 2fl1 s PHE 43 CO -0.03 -0.66 -0.23 0.42 0.70 0.00 0.00 175.22 175.42 2fl1 s ILE 44 N 1.01 2.25 -0.20 0.64 1.01 0.46 -1.92 121.20 124.44 2fl1 s ILE 44 Ca -0.03 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.65 2fl1 s ILE 44 Cb -0.15 -1.85 0.03 0.00 0.01 0.00 0.00 42.46 40.51 2fl1 s ILE 44 CO -0.05 0.56 -0.17 0.20 0.00 0.00 0.00 174.94 175.48 2fl1 s ASN 45 N -0.05 3.39 0.19 3.58 0.01 -0.12 -0.13 114.94 121.81 2fl1 s ASN 45 Ca -0.06 -0.81 0.11 0.00 -0.71 0.00 0.00 52.86 51.38 2fl1 s ASN 45 Cb -0.15 -1.44 -0.04 0.00 0.41 0.00 0.00 41.25 40.03 2fl1 s ASN 45 CO 0.05 -0.06 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.58 2fl1 s LEU 46 N 1.28 2.46 -0.08 0.60 1.43 -0.44 -1.47 118.68 122.47 2fl1 s LEU 46 Ca 0.01 -0.85 -0.03 0.00 -1.03 0.00 0.00 54.13 52.23 2fl1 s LEU 46 Cb -0.15 -1.19 0.04 0.00 0.03 0.00 0.00 46.19 44.92 2fl1 s LEU 46 CO -0.11 0.12 0.17 0.00 0.23 0.00 0.00 176.35 176.76 2fl1 s VAL 48 N 1.24 3.88 -1.42 0.00 1.01 0.08 -2.60 120.40 122.60 2fl1 s VAL 48 Ca -0.09 0.91 0.22 0.00 0.00 0.00 0.00 61.98 63.03 2fl1 s VAL 48 Cb -0.11 -4.14 -0.12 0.00 0.00 0.00 0.00 36.38 32.01 2fl1 s VAL 48 CO -0.07 -0.69 1.03 2.30 0.00 0.00 0.00 175.10 177.67 2fl1 n ILE 49 N 7.00 0.00 -3.67 2.22 -5.35 -0.24 -4.60 119.36 114.72 2fl1 n ILE 49 Ca 0.17 -0.10 -0.09 0.00 -0.27 0.00 0.00 62.75 62.45 2fl1 n ILE 49 Cb 0.48 1.03 -0.09 0.00 -1.74 0.00 0.00 39.64 39.32 2fl1 n ILE 49 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2fl1 s GLU 50 N -2.79 0.58 0.00 6.28 2.02 -0.81 -4.92 118.70 119.07 2fl1 s GLU 50 Ca 0.13 0.99 0.00 0.00 0.02 0.00 0.00 54.97 56.10 2fl1 s GLU 50 Cb 0.17 0.11 0.00 0.00 0.10 0.00 0.00 34.13 34.51 2fl1 s GLU 50 CO 0.74 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 176.29 2fl1 n GLY 51 N 4.02 0.73 3.89 -1.39 0.00 -1.26 -0.44 105.19 110.74 2fl1 n GLY 51 Ca -0.20 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 2fl1 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fl1 s GLY 52 N -2.33 1.91 0.12 -0.02 0.00 -1.26 -3.79 107.32 101.96 2fl1 s GLY 52 Ca 0.00 -0.38 -0.23 0.00 0.00 0.00 0.00 44.72 44.11 2fl1 s GLY 52 CO 0.00 -0.23 0.71 2.56 0.00 0.00 0.00 173.10 176.14 2fl1 s PRO 53 N -3.66 4.44 0.04 2.90 0.04 -1.26 -5.09 135.00 132.41 2fl1 s PRO 53 Ca 0.48 1.01 -0.33 0.00 0.04 0.00 0.00 61.00 62.19 2fl1 s PRO 53 Cb -0.11 -3.27 -0.12 0.00 0.04 0.00 0.00 34.50 31.05 2fl1 s PRO 53 CO 0.30 0.56 1.79 1.28 0.04 0.00 0.00 177.00 180.97 2fl1 n LEU 54 N 1.79 3.52 0.00 -3.56 4.77 -1.25 -4.86 117.00 117.41 2fl1 n LEU 54 Ca -0.07 1.00 0.11 0.00 -0.03 0.00 0.00 56.01 57.03 2fl1 n LEU 54 Cb 0.49 -1.43 0.54 0.00 -2.33 0.00 0.00 43.42 40.69 2fl1 n LEU 54 CO 0.45 -0.06 0.86 -0.81 -1.33 0.00 0.00 177.39 176.50 2fl1 n PRO 55 N 5.52 0.20 -4.34 3.23 -0.04 -1.26 -4.75 135.00 133.57 2fl1 n PRO 55 Ca 0.20 0.09 -0.28 0.00 -0.04 0.00 0.00 63.50 63.47 2fl1 n PRO 55 Cb 0.32 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.17 2fl1 n PRO 55 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2fl1 s PHE 56 N -2.73 2.48 0.36 0.54 -0.12 -1.26 -4.59 117.98 112.65 2fl1 s PHE 56 Ca 0.18 -0.29 -0.27 0.00 -0.05 0.00 0.00 56.93 56.50 2fl1 s PHE 56 Cb 0.15 -1.26 -0.12 0.00 -0.63 0.00 0.00 43.02 41.16 2fl1 s PHE 56 CO 0.37 0.45 1.21 0.45 -0.05 0.00 0.00 175.22 177.65 2fl1 n SER 57 N 0.44 2.34 0.14 1.98 2.88 0.09 -4.89 113.62 116.61 2fl1 n SER 57 Ca -0.14 1.17 0.03 0.00 -1.33 0.00 0.00 58.87 58.60 2fl1 n SER 57 Cb 0.54 -1.44 0.39 0.00 -0.75 0.00 0.00 64.21 62.95 2fl1 n SER 57 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2fl1 h GLU 58 N 2.27 0.16 -1.20 -1.46 5.08 -1.93 -3.13 114.58 114.38 2fl1 h GLU 58 Ca -0.45 -0.04 0.34 0.00 -1.00 0.00 0.00 59.36 58.21 2fl1 h GLU 58 Cb 1.30 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.47 2fl1 h GLU 58 CO 0.61 0.36 0.84 -0.44 -1.00 0.00 0.00 179.01 179.38 2fl1 h ASP 59 N 0.15 0.09 0.84 1.42 3.32 -1.94 -0.23 116.42 120.09 2fl1 h ASP 59 Ca 0.03 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2fl1 h ASP 59 Cb 0.43 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2fl1 h ASP 59 CO 0.03 0.01 0.00 0.16 -1.72 0.00 0.00 179.24 177.72 2fl1 h ILE 60 N 0.08 0.00 0.00 0.35 3.07 -1.93 -3.07 117.51 116.00 2fl1 h ILE 60 Ca 0.60 -0.35 -0.03 0.00 1.55 0.00 0.00 64.86 66.63 2fl1 h ILE 60 Cb 2.20 1.19 -0.01 0.00 -0.27 0.00 0.00 36.82 39.94 2fl1 h ILE 60 CO -0.08 0.00 -1.35 0.18 -1.05 0.00 0.00 178.15 175.85 2fl1 n LEU 61 N -2.61 0.61 -0.32 0.16 4.77 -0.10 -4.63 117.00 114.88 2fl1 n LEU 61 Ca 0.01 0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 56.13 2fl1 n LEU 61 Cb 0.26 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 2fl1 n LEU 61 CO 0.23 -0.08 0.51 0.28 -1.33 0.00 0.00 177.39 177.00 2fl1 h SER 62 N 0.00 -1.94 0.00 -1.43 0.02 -1.59 -1.24 113.55 107.37 2fl1 h SER 62 Ca -0.04 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2fl1 h SER 62 Cb 1.11 0.86 0.00 0.00 0.14 0.00 0.00 62.40 64.51 2fl1 h SER 62 CO 0.01 -0.29 0.00 0.00 -1.14 0.00 0.00 176.83 175.41 2fl1 n ALA 63 N -3.22 1.84 0.82 3.77 0.00 -1.26 -2.44 120.51 120.02 2fl1 n ALA 63 Ca 0.02 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.54 2fl1 n ALA 63 Cb 0.31 -1.07 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 2fl1 n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fl1 n ALA 64 N -0.71 4.00 -2.09 0.00 0.00 -0.47 -4.86 120.51 116.39 2fl1 n ALA 64 Ca 0.03 -0.49 -0.39 0.00 0.00 0.00 0.00 53.44 52.59 2fl1 n ALA 64 Cb 0.01 -0.90 0.02 0.00 0.00 0.00 0.00 19.45 18.59 2fl1 n ALA 64 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2fl1 n PHE 65 N -1.67 2.79 0.00 0.00 3.01 -1.02 -4.93 117.46 115.63 2fl1 n PHE 65 Ca 0.03 -2.37 0.00 0.00 1.01 0.00 0.00 57.45 56.12 2fl1 n PHE 65 Cb 0.37 -1.23 0.00 0.00 -0.01 0.00 0.00 39.48 38.61 2fl1 n PHE 65 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2fl1 n ASN 69 N -0.20 0.00 0.00 4.37 2.85 -1.26 -5.11 115.26 115.92 2fl1 n ASN 69 Ca 0.52 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 55.03 2fl1 n ASN 69 Cb 0.27 0.00 0.26 0.00 1.24 0.00 0.00 39.78 41.55 2fl1 n ASN 69 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2fl1 n ARG 70 N 0.00 0.47 0.18 1.20 5.12 -1.26 -1.52 116.66 120.84 2fl1 n ARG 70 Ca 0.00 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.94 2fl1 n ARG 70 Cb 0.00 -1.30 0.32 0.00 -1.16 0.00 0.00 32.46 30.32 2fl1 n ARG 70 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2fl1 h LEU 71 N 0.00 0.00 -6.63 0.55 3.38 -1.95 -3.24 115.31 107.42 2fl1 h LEU 71 Ca 0.00 0.00 -0.77 0.00 0.09 0.00 0.00 57.88 57.20 2fl1 h LEU 71 Cb 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.57 2fl1 h LEU 71 CO 0.00 0.43 1.74 0.49 0.09 0.00 0.00 178.44 181.19 2fl1 n PHE 72 N -3.96 3.00 -3.70 1.13 3.01 -0.58 -4.65 117.46 111.71 2fl1 n PHE 72 Ca -0.02 -2.81 -0.14 0.00 1.01 0.00 0.00 57.45 55.49 2fl1 n PHE 72 Cb 0.46 -1.84 -0.14 0.00 -0.01 0.00 0.00 39.48 37.95 2fl1 n PHE 72 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2fl1 s THR 73 N -0.11 -0.19 -0.38 4.37 2.01 -1.23 -4.31 115.64 115.80 2fl1 s THR 73 Ca 0.38 0.25 -0.26 0.00 0.31 0.00 0.00 61.69 62.37 2fl1 s THR 73 Cb 0.08 -0.32 0.02 0.00 0.01 0.00 0.00 72.50 72.28 2fl1 s THR 73 CO 0.02 0.11 0.95 -0.70 -0.69 0.00 0.00 174.62 174.30 2fl1 s GLU 74 N 1.82 3.83 -0.04 4.92 2.12 -0.65 -4.41 118.70 126.29 2fl1 s GLU 74 Ca -0.03 0.58 -0.02 0.00 0.36 0.00 0.00 54.97 55.86 2fl1 s GLU 74 Cb -0.12 -3.81 -0.04 0.00 0.26 0.00 0.00 34.13 30.42 2fl1 s GLU 74 CO -0.07 -0.99 0.10 0.71 -0.54 0.00 0.00 175.26 174.48 2fl1 s TYR 75 N 3.55 3.39 0.29 5.30 1.51 -1.26 -0.31 117.35 129.82 2fl1 s TYR 75 Ca 0.39 0.31 -0.13 0.00 -1.01 0.00 0.00 57.07 56.63 2fl1 s TYR 75 Cb -0.12 -1.81 -0.08 0.00 -0.11 0.00 0.00 41.96 39.84 2fl1 s TYR 75 CO 0.20 0.60 0.66 -1.25 -1.11 0.00 0.00 175.55 174.65 2fl1 s PRO 76 N -1.51 3.92 0.55 -1.71 0.04 -1.26 -4.95 135.00 130.08 2fl1 s PRO 76 Ca 0.21 0.51 0.31 0.00 0.04 0.00 0.00 61.00 62.07 2fl1 s PRO 76 Cb -0.12 -2.52 1.47 0.00 0.04 0.00 0.00 34.50 33.37 2fl1 s PRO 76 CO 0.11 0.22 1.87 0.93 0.04 0.00 0.00 177.00 180.17 2fl1 h GLU 77 N 2.37 0.00 0.00 4.56 5.08 -2.00 -1.25 114.58 123.35 2fl1 h GLU 77 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2fl1 h GLU 77 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2fl1 h GLU 77 CO 0.67 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.09 2fl1 n GLY 78 N -1.66 -0.84 3.02 -3.84 0.00 -1.26 -4.62 105.19 95.99 2fl1 n GLY 78 Ca 0.16 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 2fl1 n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fl1 s ILE 79 N -2.39 1.31 0.22 -0.61 1.01 -0.47 -5.03 121.20 115.24 2fl1 s ILE 79 Ca 0.22 -0.53 -0.32 0.00 0.00 0.00 0.00 60.65 60.02 2fl1 s ILE 79 Cb 0.13 -1.22 -0.12 0.00 0.01 0.00 0.00 42.46 41.26 2fl1 s ILE 79 CO 0.28 0.40 1.69 0.52 0.00 0.00 0.00 174.94 177.83 2fl1 n VAL 80 N 4.22 0.23 -3.14 2.92 0.31 -1.26 -4.62 118.33 116.99 2fl1 n VAL 80 Ca -0.19 -0.06 -0.45 0.00 -0.01 0.00 0.00 64.34 63.63 2fl1 n VAL 80 Cb 0.51 -1.95 -0.01 0.00 -0.91 0.00 0.00 33.84 31.49 2fl1 n VAL 80 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2fl1 s ASP 81 N 1.00 7.00 0.28 4.52 -1.08 -1.26 -4.64 116.67 122.49 2fl1 s ASP 81 Ca 0.73 -2.94 0.02 0.00 -0.52 0.00 0.00 52.55 49.84 2fl1 s ASP 81 Cb -0.52 -2.31 0.61 0.00 -1.46 0.00 0.00 42.92 39.25 2fl1 s ASP 81 CO 0.36 -0.63 1.78 0.22 0.52 0.00 0.00 175.17 177.42 2fl1 h TYR 82 N 7.45 0.96 0.11 -5.34 3.20 -1.90 -2.00 116.97 119.45 2fl1 h TYR 82 Ca 0.20 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 2fl1 h TYR 82 Cb 0.94 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.92 2fl1 h TYR 82 CO 1.00 0.26 -0.05 0.74 -1.64 0.00 0.00 178.16 178.47 2fl1 h PHE 83 N 0.76 -0.13 0.00 -3.82 -1.00 -1.89 -2.93 116.94 107.92 2fl1 h PHE 83 Ca 0.51 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.22 2fl1 h PHE 83 Cb 0.71 0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.31 2fl1 h PHE 83 CO -0.04 0.25 -0.35 0.87 -1.61 0.00 0.00 178.31 177.44 2fl1 h LYS 84 N -0.55 0.00 -0.23 1.51 1.57 -1.84 -2.71 116.57 114.32 2fl1 h LYS 84 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2fl1 h LYS 84 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2fl1 h LYS 84 CO 0.02 0.35 0.09 -0.91 -0.57 0.00 0.00 179.45 178.43 2fl1 h ASN 85 N 0.00 0.28 0.64 0.86 2.35 -1.33 -1.65 115.58 116.73 2fl1 h ASN 85 Ca -0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2fl1 h ASN 85 Cb 0.64 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2fl1 h ASN 85 CO 0.04 0.27 -0.00 -1.54 -1.65 0.00 0.00 177.43 174.55 2fl1 n SER 86 N -4.44 0.01 -4.86 5.81 3.41 -1.02 -4.84 113.62 107.68 2fl1 n SER 86 Ca 0.00 -0.04 -0.31 0.00 -0.26 0.00 0.00 58.87 58.26 2fl1 n SER 86 Cb 0.13 -0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 63.74 2fl1 n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fl1 n PRO 88 N -2.05 0.23 -0.27 0.00 -0.04 -1.18 -4.77 135.00 126.91 2fl1 n PRO 88 Ca 0.05 0.01 0.02 0.00 -0.04 0.00 0.00 63.50 63.53 2fl1 n PRO 88 Cb 0.54 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.65 2fl1 n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fl1 h ALA 89 N 3.22 1.08 0.00 0.55 0.00 -1.80 -0.98 119.26 121.33 2fl1 h ALA 89 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2fl1 h ALA 89 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2fl1 h ALA 89 CO 0.00 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.73 2fl1 n GLY 90 N -1.31 -1.73 3.64 0.00 0.00 0.20 -4.33 105.19 101.66 2fl1 n GLY 90 Ca 0.12 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 2fl1 n GLY 90 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2fl1 s TYR 91 N 0.00 0.50 0.16 1.61 -0.85 -0.95 -1.66 117.35 116.17 2fl1 s TYR 91 Ca 0.00 -0.92 0.03 0.00 -0.52 0.00 0.00 57.07 55.66 2fl1 s TYR 91 Cb 0.00 0.32 -0.05 0.00 0.38 0.00 0.00 41.96 42.62 2fl1 s TYR 91 CO 0.00 -1.23 -0.03 0.95 -1.52 0.00 0.00 175.55 173.71 2fl1 s THR 92 N -3.16 0.83 0.06 -3.49 -4.23 0.02 -0.65 115.64 105.01 2fl1 s THR 92 Ca 0.22 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.56 2fl1 s THR 92 Cb -0.02 -2.01 0.03 0.00 1.34 0.00 0.00 72.50 71.84 2fl1 s THR 92 CO 0.14 -0.58 0.40 -1.66 -0.54 0.00 0.00 174.62 172.37 2fl1 s TRP 93 N -3.55 -0.24 -0.02 3.99 1.48 -1.02 -0.90 118.94 118.68 2fl1 s TRP 93 Ca 0.21 0.15 0.01 0.00 -1.06 0.00 0.00 56.10 55.41 2fl1 s TRP 93 Cb 0.05 0.21 0.01 0.00 -1.16 0.00 0.00 33.47 32.59 2fl1 s TRP 93 CO 0.02 -0.58 -0.03 -1.01 -4.06 0.00 0.00 176.95 171.29 2fl1 s HIS 94 N -2.68 0.44 0.03 1.66 3.76 -0.94 -2.63 115.29 114.93 2fl1 s HIS 94 Ca -0.04 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 54.80 2fl1 s HIS 94 Cb -0.00 -0.38 -0.03 0.00 1.11 0.00 0.00 32.58 33.28 2fl1 s HIS 94 CO -0.04 -0.08 -0.04 0.50 -0.85 0.00 0.00 174.74 174.23 2fl1 s ARG 95 N 0.43 0.43 -0.06 1.40 3.52 -0.35 -1.64 118.95 122.68 2fl1 s ARG 95 Ca -0.05 -0.78 0.04 0.00 -0.13 0.00 0.00 55.73 54.81 2fl1 s ARG 95 Cb -0.08 0.04 -0.00 0.00 -1.56 0.00 0.00 34.95 33.35 2fl1 s ARG 95 CO -0.01 -0.04 -0.19 -1.54 -0.81 0.00 0.00 175.30 172.71 2fl1 s SER 96 N -1.82 2.43 -0.19 -2.12 1.04 -0.71 -1.73 113.70 110.59 2fl1 s SER 96 Ca -0.09 -0.41 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 2fl1 s SER 96 Cb -0.06 -0.81 -0.02 0.00 0.10 0.00 0.00 66.02 65.23 2fl1 s SER 96 CO -0.03 0.15 -0.05 -0.36 0.98 0.00 0.00 173.24 173.94 2fl1 s PHE 97 N 0.15 2.96 -0.44 5.02 2.99 0.13 -2.39 117.98 126.40 2fl1 s PHE 97 Ca -0.08 -0.69 0.02 0.00 0.00 0.00 0.00 56.93 56.19 2fl1 s PHE 97 Cb -0.14 -2.04 0.12 0.00 0.00 0.00 0.00 43.02 40.97 2fl1 s PHE 97 CO 0.04 -0.35 0.18 1.03 -0.00 0.00 0.00 175.22 176.12 2fl1 s ARG 98 N 1.02 1.84 0.50 0.44 0.52 -1.15 -1.37 118.95 120.75 2fl1 s ARG 98 Ca 0.01 -2.20 -0.20 0.00 -0.52 0.00 0.00 55.73 52.81 2fl1 s ARG 98 Cb -0.15 -3.35 -0.08 0.00 0.52 0.00 0.00 34.95 31.90 2fl1 s ARG 98 CO 0.00 -1.04 1.07 -0.06 0.02 0.00 0.00 175.30 175.30 2fl1 s PHE 99 N 0.41 2.89 0.64 -0.53 0.40 -0.15 -3.04 117.98 118.61 2fl1 s PHE 99 Ca 0.13 1.57 0.36 0.00 -0.60 0.00 0.00 56.93 58.39 2fl1 s PHE 99 Cb -0.22 -3.16 1.97 0.00 0.51 0.00 0.00 43.02 42.12 2fl1 s PHE 99 CO -0.04 -1.10 2.16 1.05 0.70 0.00 0.00 175.22 177.99 2fl1 h GLU 100 N 1.49 0.00 -0.85 0.44 4.11 -1.55 -1.65 114.58 116.58 2fl1 h GLU 100 Ca -0.50 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.59 2fl1 h GLU 100 Cb 1.24 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.28 2fl1 h GLU 100 CO 0.58 0.00 0.43 -0.40 0.07 0.00 0.00 179.01 179.70 2fl1 n ASP 101 N -3.26 4.36 0.00 3.06 3.85 -1.26 -4.94 116.55 118.37 2fl1 n ASP 101 Ca -0.01 -3.40 0.00 0.00 -0.71 0.00 0.00 54.79 50.67 2fl1 n ASP 101 Cb 0.23 -0.79 0.00 0.00 -1.35 0.00 0.00 41.12 39.21 2fl1 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2fl1 n GLY 102 N -0.59 2.52 3.77 6.12 0.00 -0.62 -4.82 105.19 111.58 2fl1 n GLY 102 Ca 0.49 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.14 2fl1 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fl1 s ALA 103 N -2.20 3.10 -0.01 4.61 0.00 -1.24 -4.84 121.76 121.18 2fl1 s ALA 103 Ca 0.00 0.85 0.01 0.00 0.00 0.00 0.00 51.96 52.82 2fl1 s ALA 103 Cb 0.00 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.79 2fl1 s ALA 103 CO 0.00 -0.42 -0.01 0.14 0.00 0.00 0.00 175.76 175.47 2fl1 s VAL 104 N -1.53 0.17 0.24 0.00 -7.23 -0.78 -0.98 120.40 110.29 2fl1 s VAL 104 Ca 0.58 -0.03 0.10 0.00 -1.81 0.00 0.00 61.98 60.81 2fl1 s VAL 104 Cb -0.27 -0.19 -0.05 0.00 0.56 0.00 0.00 36.38 36.43 2fl1 s VAL 104 CO 0.33 0.08 -0.17 0.00 -0.31 0.00 0.00 175.10 175.03 2fl1 s ILE 106 N -2.70 -0.01 0.07 0.00 -4.36 0.58 0.21 121.20 114.99 2fl1 s ILE 106 Ca 0.25 0.03 0.01 0.00 -0.26 0.00 0.00 60.65 60.69 2fl1 s ILE 106 Cb -0.03 -0.12 -0.04 0.00 1.25 0.00 0.00 42.46 43.53 2fl1 s ILE 106 CO 0.10 0.01 -0.06 0.00 0.24 0.00 0.00 174.94 175.24 2fl1 s SER 108 N -2.63 0.31 -0.03 0.00 0.01 0.09 -1.21 113.70 110.24 2fl1 s SER 108 Ca 0.04 -0.81 -0.29 0.00 1.31 0.00 0.00 55.95 56.20 2fl1 s SER 108 Cb 0.02 0.26 0.07 0.00 0.21 0.00 0.00 66.02 66.58 2fl1 s SER 108 CO -0.05 -0.64 0.65 0.00 0.41 0.00 0.00 173.24 173.61 2fl1 s ALA 109 N -3.76 -1.69 -0.13 1.44 0.00 -1.08 -0.33 121.76 116.21 2fl1 s ALA 109 Ca 0.05 1.18 0.02 0.00 0.00 0.00 0.00 51.96 53.20 2fl1 s ALA 109 Cb 0.06 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.28 2fl1 s ALA 109 CO -0.10 -0.40 -0.18 0.34 0.00 0.00 0.00 175.76 175.42 2fl1 s ASP 110 N -1.34 2.80 -0.17 0.00 -1.08 0.39 -2.43 116.67 114.84 2fl1 s ASP 110 Ca -0.10 -0.53 -0.04 0.00 -0.52 0.00 0.00 52.55 51.36 2fl1 s ASP 110 Cb -0.00 -1.28 -0.03 0.00 -1.46 0.00 0.00 42.92 40.15 2fl1 s ASP 110 CO 0.08 0.03 -0.02 -0.63 0.52 0.00 0.00 175.17 175.14 2fl1 s ILE 111 N 1.03 3.99 0.01 4.11 1.09 0.17 -1.83 121.20 129.78 2fl1 s ILE 111 Ca -0.04 -0.32 0.03 0.00 -1.10 0.00 0.00 60.65 59.23 2fl1 s ILE 111 Cb -0.15 -2.77 -0.01 0.00 -1.06 0.00 0.00 42.46 38.48 2fl1 s ILE 111 CO -0.04 0.48 -0.09 -0.89 -0.10 0.00 0.00 174.94 174.29 2fl1 s THR 112 N 0.50 0.73 -0.17 2.92 2.01 -0.60 -2.23 115.64 118.80 2fl1 s THR 112 Ca -0.02 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 2fl1 s THR 112 Cb -0.14 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 2fl1 s THR 112 CO 0.02 0.09 0.04 -0.69 -0.69 0.00 0.00 174.62 173.39 2fl1 s VAL 113 N -0.46 4.62 -0.54 3.82 1.01 -0.37 -0.41 120.40 128.07 2fl1 s VAL 113 Ca 0.01 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 2fl1 s VAL 113 Cb -0.05 -3.06 0.13 0.00 0.00 0.00 0.00 36.38 33.41 2fl1 s VAL 113 CO 0.00 0.48 0.44 0.21 0.00 0.00 0.00 175.10 176.23 2fl1 s ASN 114 N 0.23 5.94 0.10 3.32 3.84 0.16 -4.79 114.94 123.75 2fl1 s ASN 114 Ca 0.03 -1.99 -0.20 0.00 0.21 0.00 0.00 52.86 50.90 2fl1 s ASN 114 Cb -0.13 -2.09 -0.08 0.00 -0.55 0.00 0.00 41.25 38.41 2fl1 s ASN 114 CO 0.01 -0.72 1.69 0.58 -2.79 0.00 0.00 177.10 175.86 2fl1 h VAL 115 N 5.88 1.12 -0.66 -5.21 2.07 -1.84 0.18 116.25 117.80 2fl1 h VAL 115 Ca -0.20 -0.35 0.10 0.00 0.82 0.00 0.00 66.70 67.08 2fl1 h VAL 115 Cb 1.07 0.98 -0.08 0.00 -1.52 0.00 0.00 31.29 31.75 2fl1 h VAL 115 CO 0.90 0.12 0.26 0.08 0.02 0.00 0.00 177.57 178.96 2fl1 h ARG 116 N 0.21 0.43 -0.00 1.57 0.11 -1.95 -0.43 114.38 114.32 2fl1 h ARG 116 Ca 0.07 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.12 2fl1 h ARG 116 Cb 0.10 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2fl1 h ARG 116 CO -0.01 0.29 -0.19 0.39 0.10 0.00 0.00 179.97 180.55 2fl1 n GLU 117 N -4.98 0.20 -3.95 0.08 1.02 -1.14 -4.91 120.64 106.98 2fl1 n GLU 117 Ca 0.10 -0.07 -0.30 0.00 -0.02 0.00 0.00 57.16 56.87 2fl1 n GLU 117 Cb 0.30 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.24 2fl1 n GLU 117 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2fl1 n ASN 118 N -1.34 -4.29 -4.20 1.62 5.15 0.53 -4.89 115.26 107.84 2fl1 n ASN 118 Ca 0.09 -0.82 -0.22 0.00 -0.60 0.00 0.00 54.58 53.02 2fl1 n ASN 118 Cb 0.32 -3.72 -0.14 0.00 -0.53 0.00 0.00 39.78 35.71 2fl1 n ASN 118 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2fl1 s ILE 120 N -0.85 4.13 -0.26 0.00 1.01 -0.19 0.35 121.20 125.40 2fl1 s ILE 120 Ca 0.04 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.32 2fl1 s ILE 120 Cb -0.08 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 2fl1 s ILE 120 CO 0.02 0.49 0.15 -0.31 0.00 0.00 0.00 174.94 175.28 2fl1 s TYR 121 N 0.31 3.21 -0.18 3.97 1.51 0.45 -0.89 117.35 125.73 2fl1 s TYR 121 Ca -0.02 0.02 -0.01 0.00 -1.01 0.00 0.00 57.07 56.05 2fl1 s TYR 121 Cb -0.14 -2.30 -0.00 0.00 -0.11 0.00 0.00 41.96 39.41 2fl1 s TYR 121 CO 0.02 -0.13 -0.12 -1.58 -1.11 0.00 0.00 175.55 172.63 2fl1 s HIS 122 N 1.46 2.85 -0.19 2.71 2.46 0.26 -1.55 115.29 123.29 2fl1 s HIS 122 Ca 0.07 -1.08 0.01 0.00 0.47 0.00 0.00 55.06 54.53 2fl1 s HIS 122 Cb -0.15 -1.97 0.03 0.00 -0.13 0.00 0.00 32.58 30.37 2fl1 s HIS 122 CO 0.07 -0.54 -0.15 -1.21 -2.47 0.00 0.00 174.74 170.44 2fl1 s GLU 123 N 1.09 2.49 0.28 2.88 0.41 -0.76 -2.34 118.70 122.76 2fl1 s GLU 123 Ca 0.00 -0.88 0.10 0.00 -0.41 0.00 0.00 54.97 53.78 2fl1 s GLU 123 Cb -0.14 -2.51 -0.05 0.00 -1.78 0.00 0.00 34.13 29.64 2fl1 s GLU 123 CO -0.03 -0.34 -0.15 -1.54 -0.49 0.00 0.00 175.26 172.72 2fl1 s SER 124 N 1.32 3.35 -0.04 -0.19 1.04 -0.18 -0.46 113.70 118.53 2fl1 s SER 124 Ca 0.01 -1.09 0.01 0.00 0.48 0.00 0.00 55.95 55.36 2fl1 s SER 124 Cb -0.15 -0.27 0.02 0.00 0.10 0.00 0.00 66.02 65.72 2fl1 s SER 124 CO -0.10 -0.10 -0.04 0.28 0.98 0.00 0.00 173.24 174.25 2fl1 s THR 125 N -2.67 0.52 -0.05 2.02 -1.32 0.55 -1.94 115.64 112.74 2fl1 s THR 125 Ca 0.29 -0.12 0.01 0.00 -1.21 0.00 0.00 61.69 60.67 2fl1 s THR 125 Cb -0.01 -0.55 0.02 0.00 -1.51 0.00 0.00 72.50 70.45 2fl1 s THR 125 CO 0.14 0.22 -0.07 0.12 -2.21 0.00 0.00 174.62 172.82 2fl1 s PHE 126 N 0.88 0.94 -0.01 9.09 5.36 -0.62 -0.73 117.98 132.88 2fl1 s PHE 126 Ca -0.12 -0.29 0.02 0.00 -0.96 0.00 0.00 56.93 55.58 2fl1 s PHE 126 Cb -0.14 -0.77 0.00 0.00 -0.34 0.00 0.00 43.02 41.77 2fl1 s PHE 126 CO 0.00 -0.21 -0.05 0.71 -1.46 0.00 0.00 175.22 174.21 2fl1 s TYR 127 N 0.82 0.56 0.05 10.12 1.51 0.27 -1.62 117.35 129.05 2fl1 s TYR 127 Ca -0.13 -0.11 0.01 0.00 -1.01 0.00 0.00 57.07 55.83 2fl1 s TYR 127 Cb -0.15 -0.40 -0.03 0.00 -0.11 0.00 0.00 41.96 41.27 2fl1 s TYR 127 CO 0.01 -0.05 -0.05 0.20 -1.11 0.00 0.00 175.55 174.56 2fl1 s GLY 128 N 0.10 0.49 -0.14 0.71 0.00 -0.94 -0.30 107.32 107.24 2fl1 s GLY 128 Ca -0.01 -0.96 -0.14 0.00 0.00 0.00 0.00 44.72 43.62 2fl1 s GLY 128 CO -0.00 -1.04 0.38 0.14 0.00 0.00 0.00 173.10 172.58 2fl1 s VAL 129 N -2.50 0.00 -0.78 1.40 1.01 -0.58 -1.96 120.40 116.99 2fl1 s VAL 129 Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 2fl1 s VAL 129 Cb -0.02 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 2fl1 s VAL 129 CO -0.03 -0.02 0.66 0.59 0.00 0.00 0.00 175.10 176.30 2fl1 n ASN 130 N 2.76 -2.57 -4.61 3.32 3.02 -1.26 -1.87 115.26 114.05 2fl1 n ASN 130 Ca -0.14 -0.42 -0.41 0.00 -0.03 0.00 0.00 54.58 53.58 2fl1 n ASN 130 Cb 0.57 -3.60 -0.06 0.00 -0.61 0.00 0.00 39.78 36.07 2fl1 n ASN 130 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2fl1 s PHE 131 N -3.24 3.25 0.30 3.10 0.40 -1.26 -3.65 117.98 116.88 2fl1 s PHE 131 Ca 0.05 0.72 -0.29 0.00 -0.60 0.00 0.00 56.93 56.81 2fl1 s PHE 131 Cb -0.01 -2.90 -0.13 0.00 0.51 0.00 0.00 43.02 40.49 2fl1 s PHE 131 CO 0.49 -0.39 1.19 -2.30 0.70 0.00 0.00 175.22 174.92 2fl1 n PRO 132 N 5.78 1.76 -0.04 0.24 -0.02 -1.26 -4.86 135.00 136.60 2fl1 n PRO 132 Ca -0.01 0.62 0.04 0.00 -2.02 0.00 0.00 63.50 62.13 2fl1 n PRO 132 Cb 0.49 -2.13 0.40 0.00 -0.02 0.00 0.00 33.50 32.24 2fl1 n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fl1 h ALA 133 N 2.63 1.68 -0.58 3.55 0.00 -1.98 -0.69 119.26 123.87 2fl1 h ALA 133 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2fl1 h ALA 133 Cb 1.31 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2fl1 h ALA 133 CO 0.64 0.30 0.00 -0.40 0.00 0.00 0.00 179.25 179.79 2fl1 n ASP 134 N -4.47 3.96 -4.89 0.00 3.85 -1.26 -4.36 116.55 109.38 2fl1 n ASP 134 Ca 0.04 -2.28 -0.30 0.00 -0.71 0.00 0.00 54.79 51.55 2fl1 n ASP 134 Cb 0.06 -0.51 0.06 0.00 -1.35 0.00 0.00 41.12 39.38 2fl1 n ASP 134 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2fl1 s GLY 135 N -0.88 1.62 0.58 6.12 0.00 -0.26 -4.89 107.32 109.60 2fl1 s GLY 135 Ca 0.44 -0.44 0.35 0.00 0.00 0.00 0.00 44.72 45.07 2fl1 s GLY 135 CO 0.23 -0.04 2.15 -0.56 0.00 0.00 0.00 173.10 174.88 2fl1 h PRO 136 N -0.73 0.00 0.07 2.90 0.13 -1.92 -1.77 132.00 130.68 2fl1 h PRO 136 Ca -0.45 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.53 2fl1 h PRO 136 Cb 1.27 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.42 2fl1 h PRO 136 CO 0.64 0.05 -0.63 0.28 -0.23 0.00 0.00 178.00 178.11 2fl1 h VAL 137 N 0.00 1.52 0.00 1.56 2.07 -1.93 0.58 116.25 120.04 2fl1 h VAL 137 Ca -0.00 -2.33 -0.06 0.00 0.82 0.00 0.00 66.70 65.13 2fl1 h VAL 137 Cb 0.27 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 2fl1 h VAL 137 CO 0.01 0.66 -0.30 0.24 0.02 0.00 0.00 177.57 178.19 2fl1 h MET 138 N -0.36 0.00 -0.24 1.57 2.86 -1.75 0.35 114.93 117.36 2fl1 h MET 138 Ca -0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2fl1 h MET 138 Cb 1.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.09 2fl1 h MET 138 CO 0.12 0.30 0.00 1.63 1.06 0.00 0.00 176.91 180.02 2fl1 n LYS 139 N -3.24 1.94 -3.98 1.72 4.76 -0.67 -4.84 118.16 113.84 2fl1 n LYS 139 Ca 0.02 -1.41 -0.30 0.00 -2.87 0.00 0.00 58.31 53.74 2fl1 n LYS 139 Cb 0.59 -1.41 -0.02 0.00 -1.84 0.00 0.00 35.03 32.35 2fl1 n LYS 139 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2fl1 n LYS 140 N 0.64 -2.07 -0.18 1.97 5.02 -0.92 -4.87 118.16 117.74 2fl1 n LYS 140 Ca 0.17 0.32 0.09 0.00 -2.02 0.00 0.00 58.31 56.86 2fl1 n LYS 140 Cb 0.40 -4.02 0.19 0.00 -0.02 0.00 0.00 35.03 31.58 2fl1 n LYS 140 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2fl1 n MET 141 N -4.48 2.33 -3.18 1.97 2.81 0.15 -4.98 117.12 111.74 2fl1 n MET 141 Ca -0.25 -2.10 -0.29 0.00 -1.81 0.00 0.00 57.70 53.25 2fl1 n MET 141 Cb 0.65 -1.41 -0.03 0.00 -0.71 0.00 0.00 33.22 31.73 2fl1 n MET 141 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2fl1 s THR 142 N -1.19 4.95 0.00 2.03 -4.23 -1.25 0.38 115.64 116.34 2fl1 s THR 142 Ca 0.32 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 2fl1 s THR 142 Cb 0.18 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.28 2fl1 s THR 142 CO 0.25 -0.40 0.00 0.35 -0.54 0.00 0.00 174.62 174.28 2fl1 n THR 143 N -1.09 0.00 -3.47 3.99 -2.24 -0.02 -4.82 114.28 106.63 2fl1 n THR 143 Ca -0.01 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 2fl1 n THR 143 Cb 0.54 -0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 67.91 2fl1 n THR 143 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2fl1 s ASN 144 N -4.42 -0.50 0.12 3.42 0.01 -1.25 -4.66 114.94 107.66 2fl1 s ASN 144 Ca 0.00 0.10 -0.24 0.00 -0.71 0.00 0.00 52.86 52.01 2fl1 s ASN 144 Cb 0.00 0.50 -0.07 0.00 0.41 0.00 0.00 41.25 42.09 2fl1 s ASN 144 CO 0.00 -0.77 0.74 0.26 -1.51 0.00 0.00 177.10 175.82 2fl1 s TRP 145 N -3.09 3.85 0.48 2.20 0.52 -1.26 -0.54 118.94 121.10 2fl1 s TRP 145 Ca 0.01 1.54 -0.19 0.00 0.02 0.00 0.00 56.10 57.47 2fl1 s TRP 145 Cb -0.01 -2.74 -0.09 0.00 -1.15 0.00 0.00 33.47 29.49 2fl1 s TRP 145 CO -0.08 0.47 1.00 -1.21 0.02 0.00 0.00 176.95 177.14 2fl1 s GLU 146 N -0.88 3.94 0.48 4.98 2.02 0.01 -4.65 118.70 124.60 2fl1 s GLU 146 Ca 0.35 1.18 -0.23 0.00 0.02 0.00 0.00 54.97 56.30 2fl1 s GLU 146 Cb -0.22 -2.13 -0.09 0.00 0.10 0.00 0.00 34.13 31.80 2fl1 s GLU 146 CO 0.24 -0.29 1.02 -2.30 0.02 0.00 0.00 175.26 173.95 2fl1 n PRO 147 N -1.06 1.28 -4.17 0.39 -0.02 -1.26 -4.73 135.00 125.43 2fl1 n PRO 147 Ca 0.08 0.47 -0.20 0.00 -2.02 0.00 0.00 63.50 61.82 2fl1 n PRO 147 Cb 0.53 -2.12 -0.07 0.00 -0.02 0.00 0.00 33.50 31.82 2fl1 n PRO 147 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2fl1 n SER 148 N 0.10 0.03 -3.59 2.55 3.41 -0.92 -4.98 113.62 110.22 2fl1 n SER 148 Ca 0.10 -3.06 -0.28 0.00 -0.26 0.00 0.00 58.87 55.37 2fl1 n SER 148 Cb 0.42 1.35 -0.16 0.00 -0.26 0.00 0.00 64.21 65.57 2fl1 n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fl1 s GLU 150 N 2.06 4.30 -0.31 0.00 2.12 0.10 -4.75 118.70 122.21 2fl1 s GLU 150 Ca 0.06 0.86 -0.12 0.00 0.36 0.00 0.00 54.97 56.14 2fl1 s GLU 150 Cb -0.16 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.05 2fl1 s GLU 150 CO -0.26 0.55 0.22 0.21 -0.54 0.00 0.00 175.26 175.44 2fl1 s LYS 151 N -1.38 3.71 -0.25 4.30 2.47 -0.38 -0.70 119.74 127.52 2fl1 s LYS 151 Ca 0.35 -0.49 -0.09 0.00 -1.56 0.00 0.00 55.97 54.17 2fl1 s LYS 151 Cb -0.20 -3.74 -0.04 0.00 -1.46 0.00 0.00 37.83 32.39 2fl1 s LYS 151 CO 0.22 -0.32 0.13 0.42 0.16 0.00 0.00 175.35 175.96 2fl1 s ILE 152 N 1.74 5.00 -0.00 5.43 -1.09 0.39 -1.81 121.20 130.85 2fl1 s ILE 152 Ca 0.07 0.06 0.08 0.00 -2.23 0.00 0.00 60.65 58.62 2fl1 s ILE 152 Cb -0.17 -3.34 -0.02 0.00 -1.58 0.00 0.00 42.46 37.35 2fl1 s ILE 152 CO 0.11 0.33 -0.25 -0.63 -1.23 0.00 0.00 174.94 173.27 2fl1 s ILE 153 N 1.35 2.21 0.15 2.92 1.01 -0.04 -1.48 121.20 127.32 2fl1 s ILE 153 Ca 0.06 -1.14 -0.05 0.00 0.00 0.00 0.00 60.65 59.52 2fl1 s ILE 153 Cb -0.15 -1.80 -0.06 0.00 0.01 0.00 0.00 42.46 40.46 2fl1 s ILE 153 CO 0.06 0.52 0.39 -2.16 0.00 0.00 0.00 174.94 173.75 2fl1 s PRO 154 N -0.81 3.63 -0.55 2.79 0.04 -1.26 -0.13 135.00 138.70 2fl1 s PRO 154 Ca 0.11 -0.06 0.04 0.00 0.04 0.00 0.00 61.00 61.13 2fl1 s PRO 154 Cb -0.10 -2.83 0.14 0.00 0.04 0.00 0.00 34.50 31.75 2fl1 s PRO 154 CO 0.00 0.45 0.32 0.42 0.04 0.00 0.00 177.00 178.23 2fl1 s ILE 155 N -1.68 2.51 0.19 0.56 1.01 -0.10 -4.93 121.20 118.77 2fl1 s ILE 155 Ca 0.42 -3.47 -0.11 0.00 0.00 0.00 0.00 60.65 57.48 2fl1 s ILE 155 Cb -0.12 -2.72 0.11 0.00 0.01 0.00 0.00 42.46 39.74 2fl1 s ILE 155 CO 0.24 -0.87 1.77 0.78 0.00 0.00 0.00 174.94 176.87 2fl1 h ASN 156 N 6.24 0.34 -1.01 3.58 -0.26 -1.96 0.43 115.58 122.94 2fl1 h ASN 156 Ca -0.01 0.05 0.26 0.00 -0.56 0.00 0.00 56.30 56.04 2fl1 h ASN 156 Cb 0.86 -0.01 -0.07 0.00 -1.06 0.00 0.00 38.32 38.04 2fl1 h ASN 156 CO 0.67 0.23 0.68 0.77 -1.06 0.00 0.00 177.43 178.71 2fl1 h SER 157 N 0.49 0.32 -0.03 5.81 4.64 -1.96 -1.76 113.55 121.06 2fl1 h SER 157 Ca 0.27 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2fl1 h SER 157 Cb 0.23 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2fl1 h SER 157 CO -0.22 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 175.83 2fl1 n GLN 158 N -4.49 1.40 -3.95 4.77 6.02 -0.84 -5.03 117.38 115.27 2fl1 n GLN 158 Ca 0.23 -1.17 -0.28 0.00 -0.01 0.00 0.00 57.00 55.76 2fl1 n GLN 158 Cb 0.90 -1.04 -0.01 0.00 1.02 0.00 0.00 30.24 31.11 2fl1 n GLN 158 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2fl1 n LYS 159 N -0.15 -2.49 -4.24 -1.09 5.02 0.14 -4.99 118.16 110.37 2fl1 n LYS 159 Ca 0.02 0.36 -0.14 0.00 -2.02 0.00 0.00 58.31 56.53 2fl1 n LYS 159 Cb 0.18 -4.23 -0.10 0.00 -0.02 0.00 0.00 35.03 30.86 2fl1 n LYS 159 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2fl1 s ILE 160 N -3.88 0.48 0.17 -0.18 -4.36 -1.05 -4.70 121.20 107.68 2fl1 s ILE 160 Ca 0.12 -1.98 0.10 0.00 -0.26 0.00 0.00 60.65 58.64 2fl1 s ILE 160 Cb -0.05 -2.30 -0.04 0.00 1.25 0.00 0.00 42.46 41.32 2fl1 s ILE 160 CO 0.90 -0.28 -0.18 -0.76 0.24 0.00 0.00 174.94 174.85 2fl1 s LEU 161 N -3.19 2.65 -0.06 0.37 1.43 -0.64 -0.92 118.68 118.31 2fl1 s LEU 161 Ca 0.30 -0.70 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 2fl1 s LEU 161 Cb 0.07 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.88 2fl1 s LEU 161 CO 0.07 0.13 -0.18 -0.75 0.23 0.00 0.00 176.35 175.85 2fl1 s LYS 162 N -2.57 2.11 -0.02 1.70 2.20 0.81 -0.28 119.74 123.69 2fl1 s LYS 162 Ca 0.21 -0.65 0.02 0.00 -0.36 0.00 0.00 55.97 55.19 2fl1 s LYS 162 Cb -0.09 -1.74 -0.03 0.00 -1.51 0.00 0.00 37.83 34.46 2fl1 s LYS 162 CO 0.11 0.19 -0.05 0.20 -0.36 0.00 0.00 175.35 175.44 2fl1 s GLY 163 N 0.23 1.76 -0.15 5.54 0.00 0.13 -0.86 107.32 113.98 2fl1 s GLY 163 Ca -0.10 -0.96 -0.04 0.00 0.00 0.00 0.00 44.72 43.62 2fl1 s GLY 163 CO 0.04 -0.80 0.10 -0.35 0.00 0.00 0.00 173.10 172.09 2fl1 s ASP 164 N -1.24 2.04 -0.06 1.64 3.68 -0.75 -1.43 116.67 120.55 2fl1 s ASP 164 Ca 0.16 -0.45 -0.03 0.00 2.13 0.00 0.00 52.55 54.36 2fl1 s ASP 164 Cb -0.11 -0.16 0.03 0.00 -1.45 0.00 0.00 42.92 41.23 2fl1 s ASP 164 CO 0.06 -0.33 0.15 0.54 0.13 0.00 0.00 175.17 175.71 2fl1 s VAL 165 N 2.16 -0.04 -0.37 1.11 0.11 -1.03 -1.25 120.40 121.09 2fl1 s VAL 165 Ca 0.03 0.14 -0.20 0.00 -2.93 0.00 0.00 61.98 59.02 2fl1 s VAL 165 Cb -0.15 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 2fl1 s VAL 165 CO -0.08 0.06 0.60 -0.55 -3.33 0.00 0.00 175.10 171.80 2fl1 s SER 166 N 0.95 6.38 0.19 3.54 0.15 -1.26 -1.17 113.70 122.48 2fl1 s SER 166 Ca -0.07 0.02 0.05 0.00 0.70 0.00 0.00 55.95 56.65 2fl1 s SER 166 Cb -0.09 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 61.87 2fl1 s SER 166 CO -0.05 -0.59 0.25 -0.04 1.20 0.00 0.00 173.24 174.01 2fl1 s MET 167 N 2.64 3.22 -0.04 5.44 -1.94 0.13 -4.87 119.30 123.89 2fl1 s MET 167 Ca 0.23 -0.78 -0.01 0.00 -1.71 0.00 0.00 55.69 53.41 2fl1 s MET 167 Cb -0.15 -2.80 0.03 0.00 2.01 0.00 0.00 34.83 33.92 2fl1 s MET 167 CO 0.15 0.47 0.02 0.71 -0.01 0.00 0.00 175.02 176.35 2fl1 s TYR 168 N -1.88 0.33 -0.20 -0.03 1.51 -1.26 -1.55 117.35 114.27 2fl1 s TYR 168 Ca 0.33 0.03 -0.14 0.00 -1.01 0.00 0.00 57.07 56.28 2fl1 s TYR 168 Cb -0.10 -0.52 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 2fl1 s TYR 168 CO 0.27 -0.19 0.32 -0.51 -1.11 0.00 0.00 175.55 174.33 2fl1 s LEU 169 N 1.54 4.17 0.21 -1.29 1.43 0.77 -0.81 118.68 124.70 2fl1 s LEU 169 Ca -0.02 0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 53.21 2fl1 s LEU 169 Cb -0.13 -2.40 -0.08 0.00 0.03 0.00 0.00 46.19 43.61 2fl1 s LEU 169 CO -0.03 -0.01 0.93 -0.76 0.23 0.00 0.00 176.35 176.71 2fl1 s LEU 170 N 1.07 4.61 0.25 1.79 1.43 0.30 -0.44 118.68 127.70 2fl1 s LEU 170 Ca 0.16 1.89 0.06 0.00 -1.03 0.00 0.00 54.13 55.21 2fl1 s LEU 170 Cb -0.14 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 2fl1 s LEU 170 CO 0.06 0.12 0.30 -0.76 0.23 0.00 0.00 176.35 176.30 2fl1 s LEU 171 N -0.94 4.09 0.17 1.79 1.43 0.41 -0.84 118.68 124.79 2fl1 s LEU 171 Ca 0.42 -0.08 -0.17 0.00 -1.03 0.00 0.00 54.13 53.27 2fl1 s LEU 171 Cb -0.25 -2.64 0.11 0.00 0.03 0.00 0.00 46.19 43.44 2fl1 s LEU 171 CO 0.31 -0.08 1.66 0.11 0.23 0.00 0.00 176.35 178.57 2fl1 h LYS 172 N 1.28 -0.03 0.00 1.70 6.56 -0.40 -0.73 116.57 124.96 2fl1 h LYS 172 Ca -0.50 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.09 2fl1 h LYS 172 Cb 1.24 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 2fl1 h LYS 172 CO 0.60 -0.02 0.00 -0.40 -2.06 0.00 0.00 179.45 177.58 2fl1 n ASP 173 N -5.34 0.00 0.00 0.86 5.68 -1.26 -4.82 116.55 111.67 2fl1 n ASP 173 Ca 0.03 -0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 2fl1 n ASP 173 Cb 0.25 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 2fl1 n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2fl1 n GLY 174 N -0.06 0.89 3.98 6.12 0.00 -0.28 -5.09 105.19 110.76 2fl1 n GLY 174 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2fl1 n GLY 174 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fl1 s GLY 175 N -1.87 1.76 0.17 -0.02 0.00 -1.25 -4.81 107.32 101.31 2fl1 s GLY 175 Ca 0.00 -1.66 0.08 0.00 0.00 0.00 0.00 44.72 43.15 2fl1 s GLY 175 CO 0.00 -1.02 -0.17 0.50 0.00 0.00 0.00 173.10 172.40 2fl1 s ARG 176 N -5.33 1.29 -0.14 2.90 0.52 -1.26 -0.45 118.95 116.48 2fl1 s ARG 176 Ca 0.69 -1.45 -0.02 0.00 -0.52 0.00 0.00 55.73 54.43 2fl1 s ARG 176 Cb -0.04 -1.29 0.05 0.00 0.52 0.00 0.00 34.95 34.18 2fl1 s ARG 176 CO 0.47 0.25 0.02 -0.47 0.02 0.00 0.00 175.30 175.59 2fl1 s TYR 177 N -2.23 0.81 0.34 -0.53 5.04 0.42 -4.93 117.35 116.28 2fl1 s TYR 177 Ca 0.17 -0.51 -0.17 0.00 -2.44 0.00 0.00 57.07 54.12 2fl1 s TYR 177 Cb -0.05 -0.91 -0.09 0.00 0.35 0.00 0.00 41.96 41.26 2fl1 s TYR 177 CO 0.07 -0.48 0.79 1.03 -1.34 0.00 0.00 175.55 175.62 2fl1 s ARG 178 N 1.93 4.09 -0.16 4.97 0.52 -1.26 -0.16 118.95 128.87 2fl1 s ARG 178 Ca 0.02 0.80 -0.14 0.00 -0.52 0.00 0.00 55.73 55.90 2fl1 s ARG 178 Cb -0.15 -2.43 0.04 0.00 0.52 0.00 0.00 34.95 32.94 2fl1 s ARG 178 CO -0.07 0.14 0.42 0.00 0.02 0.00 0.00 175.30 175.82 2fl1 s GLN 180 N 0.44 3.58 -0.27 0.00 -0.44 -1.17 0.23 119.66 122.03 2fl1 s GLN 180 Ca -0.02 -0.54 -0.13 0.00 -2.50 0.00 0.00 55.36 52.17 2fl1 s GLN 180 Cb -0.04 -3.04 -0.04 0.00 -1.64 0.00 0.00 33.01 28.24 2fl1 s GLN 180 CO -0.02 0.01 0.30 -0.06 0.50 0.00 0.00 175.29 176.01 2fl1 s PHE 181 N 1.00 3.24 -0.22 1.67 0.40 -0.32 -2.95 117.98 120.80 2fl1 s PHE 181 Ca 0.01 0.30 0.02 0.00 -0.60 0.00 0.00 56.93 56.66 2fl1 s PHE 181 Cb -0.14 -2.49 0.04 0.00 0.51 0.00 0.00 43.02 40.94 2fl1 s PHE 181 CO 0.01 -0.18 -0.15 -0.51 0.70 0.00 0.00 175.22 175.09 2fl1 s ASP 182 N 1.65 3.82 0.13 1.36 1.11 -1.00 -2.46 116.67 121.27 2fl1 s ASP 182 Ca 0.12 -1.05 0.08 0.00 0.18 0.00 0.00 52.55 51.87 2fl1 s ASP 182 Cb -0.16 -1.49 -0.04 0.00 1.07 0.00 0.00 42.92 42.30 2fl1 s ASP 182 CO 0.10 -0.11 -0.17 -0.89 1.18 0.00 0.00 175.17 175.28 2fl1 s THR 183 N 1.20 1.62 -0.13 -1.27 2.01 -0.51 -1.74 115.64 116.83 2fl1 s THR 183 Ca -0.03 -1.75 0.01 0.00 0.31 0.00 0.00 61.69 60.23 2fl1 s THR 183 Cb -0.17 -1.66 0.02 0.00 0.01 0.00 0.00 72.50 70.71 2fl1 s THR 183 CO -0.09 -0.29 -0.13 -0.63 -0.69 0.00 0.00 174.62 172.80 2fl1 s ILE 184 N -1.85 1.42 -0.19 1.82 -1.09 -0.65 0.22 121.20 120.88 2fl1 s ILE 184 Ca 0.11 -0.56 -0.07 0.00 -2.23 0.00 0.00 60.65 57.90 2fl1 s ILE 184 Cb -0.07 -1.34 -0.04 0.00 -1.58 0.00 0.00 42.46 39.44 2fl1 s ILE 184 CO 0.05 0.43 0.04 -0.31 -1.23 0.00 0.00 174.94 173.92 2fl1 s TYR 185 N 1.34 3.16 -0.15 3.97 1.51 0.61 -2.23 117.35 125.57 2fl1 s TYR 185 Ca 0.01 -0.11 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 2fl1 s TYR 185 Cb -0.14 -2.09 0.03 0.00 -0.11 0.00 0.00 41.96 39.66 2fl1 s TYR 185 CO -0.07 0.01 -0.10 0.15 -1.11 0.00 0.00 175.55 174.43 2fl1 s LYS 186 N 0.63 1.91 0.42 -0.62 1.02 -0.07 -1.62 119.74 121.40 2fl1 s LYS 186 Ca 0.02 -0.51 -0.24 0.00 0.02 0.00 0.00 55.97 55.26 2fl1 s LYS 186 Cb -0.13 -1.99 -0.08 0.00 -0.52 0.00 0.00 37.83 35.10 2fl1 s LYS 186 CO 0.02 -0.30 1.12 0.00 -0.92 0.00 0.00 175.35 175.26 2fl1 s ALA 187 N 1.56 3.07 0.31 5.17 0.00 -1.26 -0.80 121.76 129.81 2fl1 s ALA 187 Ca 0.03 0.85 0.14 0.00 0.00 0.00 0.00 51.96 52.99 2fl1 s ALA 187 Cb -0.14 -3.34 0.66 0.00 0.00 0.00 0.00 23.12 20.30 2fl1 s ALA 187 CO -0.09 -0.44 1.76 0.87 0.00 0.00 0.00 175.76 177.86 2fl1 h LYS 188 N 2.42 0.00 -6.77 0.00 1.57 -1.61 -3.44 116.57 108.74 2fl1 h LYS 188 Ca -0.49 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.62 2fl1 h LYS 188 Cb 1.23 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.31 2fl1 h LYS 188 CO 0.62 0.43 -0.87 0.95 -0.57 0.00 0.00 179.45 180.01 2fl1 s THR 189 N -3.91 2.16 -0.43 -0.16 -4.23 -1.26 -5.06 115.64 102.74 2fl1 s THR 189 Ca -0.02 -1.64 -0.42 0.00 -1.18 0.00 0.00 61.69 58.43 2fl1 s THR 189 Cb 0.13 -1.90 -0.17 0.00 1.34 0.00 0.00 72.50 71.90 2fl1 s THR 189 CO 0.72 0.14 1.98 1.21 -0.54 0.00 0.00 174.62 178.12 2fl1 n GLU 190 N 1.14 0.44 -1.80 3.99 4.07 -1.26 -4.87 120.64 122.35 2fl1 n GLU 190 Ca -0.18 0.14 -0.41 0.00 -0.06 0.00 0.00 57.16 56.65 2fl1 n GLU 190 Cb 0.53 -1.82 0.00 0.00 -0.06 0.00 0.00 31.44 30.09 2fl1 n GLU 190 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 2fl1 s PRO 191 N 5.05 4.02 0.06 5.31 0.02 -1.26 -4.92 135.00 143.27 2fl1 s PRO 191 Ca 1.11 2.54 0.22 0.00 0.02 0.00 0.00 61.00 64.90 2fl1 s PRO 191 Cb -1.28 -2.90 -0.07 0.00 0.02 0.00 0.00 34.50 30.26 2fl1 s PRO 191 CO 0.65 -0.59 0.89 1.63 -0.33 0.00 0.00 177.00 179.25 2fl1 n LYS 192 N 0.32 0.42 -3.89 5.54 5.02 -1.26 -4.92 118.16 119.38 2fl1 n LYS 192 Ca 0.02 -0.03 -0.11 0.00 -2.02 0.00 0.00 58.31 56.17 2fl1 n LYS 192 Cb 0.40 -1.61 -0.10 0.00 -0.02 0.00 0.00 35.03 33.69 2fl1 n LYS 192 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2fl1 s GLU 193 N -3.29 0.42 -0.04 1.97 2.02 -1.26 -5.16 118.70 113.35 2fl1 s GLU 193 Ca 0.00 -0.41 0.06 0.00 0.02 0.00 0.00 54.97 54.65 2fl1 s GLU 193 Cb 0.13 0.17 -0.01 0.00 0.10 0.00 0.00 34.13 34.52 2fl1 s GLU 193 CO 0.83 -0.09 -0.24 -1.64 0.02 0.00 0.00 175.26 174.14 2fl1 s MET 194 N -1.29 2.29 0.63 1.61 -1.94 -1.26 -4.91 119.30 114.43 2fl1 s MET 194 Ca -0.14 -0.87 -0.08 0.00 -1.71 0.00 0.00 55.69 52.89 2fl1 s MET 194 Cb -0.08 -2.03 0.01 0.00 2.01 0.00 0.00 34.83 34.75 2fl1 s MET 194 CO 0.01 0.42 0.97 -1.25 -0.01 0.00 0.00 175.02 175.16 2fl1 s PRO 195 N -0.29 2.88 0.48 2.03 0.04 -1.26 -4.86 135.00 134.02 2fl1 s PRO 195 Ca 0.01 0.14 0.01 0.00 0.04 0.00 0.00 61.00 61.20 2fl1 s PRO 195 Cb -0.12 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.24 2fl1 s PRO 195 CO 0.02 -0.82 0.70 -0.51 0.04 0.00 0.00 177.00 176.42 2fl1 s ASP 196 N -4.33 5.61 0.61 6.66 -0.00 -1.26 -4.64 116.67 119.33 2fl1 s ASP 196 Ca 0.55 0.12 -0.18 0.00 -0.00 0.00 0.00 52.55 53.05 2fl1 s ASP 196 Cb -0.11 -1.23 -0.06 0.00 -0.00 0.00 0.00 42.92 41.53 2fl1 s ASP 196 CO 0.47 -0.86 0.72 -2.67 -0.00 0.00 0.00 175.17 172.83 2fl1 n TRP 197 N -2.15 -0.03 -3.81 4.23 4.27 -1.26 -4.84 117.44 113.84 2fl1 n TRP 197 Ca 0.04 0.42 -0.07 0.00 -3.89 0.00 0.00 57.50 54.01 2fl1 n TRP 197 Cb 0.58 -2.03 -0.02 0.00 -1.36 0.00 0.00 31.31 28.49 2fl1 n TRP 197 CO 0.00 0.00 0.00 -3.38 -2.29 0.00 0.00 177.69 172.02 2fl1 s HIS 198 N -1.67 -0.20 0.22 -2.67 -3.43 -0.55 -4.94 115.29 102.05 2fl1 s HIS 198 Ca 0.72 -0.22 0.05 0.00 -0.80 0.00 0.00 55.06 54.81 2fl1 s HIS 198 Cb -0.41 0.69 -0.03 0.00 -1.43 0.00 0.00 32.58 31.39 2fl1 s HIS 198 CO 0.51 -1.14 0.30 -0.06 -2.00 0.00 0.00 174.74 172.36 2fl1 s PHE 199 N -3.78 3.37 -0.14 0.38 2.99 0.19 -0.46 117.98 120.52 2fl1 s PHE 199 Ca 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 56.93 56.98 2fl1 s PHE 199 Cb -0.05 -1.55 0.06 0.00 0.00 0.00 0.00 43.02 41.48 2fl1 s PHE 199 CO 0.05 0.47 0.11 0.42 -0.00 0.00 0.00 175.22 176.27 2fl1 s ILE 200 N -1.96 -0.14 0.14 0.64 1.01 0.13 -1.51 121.20 119.51 2fl1 s ILE 200 Ca 0.34 0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.87 2fl1 s ILE 200 Cb -0.09 -0.47 -0.07 0.00 0.01 0.00 0.00 42.46 41.84 2fl1 s ILE 200 CO 0.28 -0.13 0.54 -1.10 0.00 0.00 0.00 174.94 174.53 2fl1 s GLN 201 N 2.19 3.97 0.10 2.79 -0.21 -0.64 0.00 119.66 127.85 2fl1 s GLN 201 Ca 0.03 0.47 0.05 0.00 0.02 0.00 0.00 55.36 55.94 2fl1 s GLN 201 Cb -0.15 -2.93 -0.03 0.00 1.00 0.00 0.00 33.01 30.90 2fl1 s GLN 201 CO -0.08 0.48 -0.13 -1.01 -2.12 0.00 0.00 175.29 172.44 2fl1 s HIS 202 N -1.46 1.21 -0.13 0.91 3.76 -0.53 -2.12 115.29 116.93 2fl1 s HIS 202 Ca 0.38 -0.56 -0.04 0.00 -0.15 0.00 0.00 55.06 54.69 2fl1 s HIS 202 Cb -0.15 -0.66 0.06 0.00 1.11 0.00 0.00 32.58 32.94 2fl1 s HIS 202 CO 0.19 0.06 0.12 0.21 -0.85 0.00 0.00 174.74 174.48 2fl1 s LYS 203 N -2.42 0.05 -0.21 1.40 2.20 -0.36 -2.16 119.74 118.23 2fl1 s LYS 203 Ca 0.04 0.19 -0.01 0.00 -0.36 0.00 0.00 55.97 55.83 2fl1 s LYS 203 Cb -0.06 -1.16 0.06 0.00 -1.51 0.00 0.00 37.83 35.16 2fl1 s LYS 203 CO 0.02 -0.53 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.28 2fl1 s LEU 204 N 2.21 1.95 0.07 5.43 2.96 -1.26 -1.28 118.68 128.76 2fl1 s LEU 204 Ca 0.04 -0.98 0.03 0.00 -0.22 0.00 0.00 54.13 53.00 2fl1 s LEU 204 Cb -0.14 -0.93 -0.04 0.00 0.50 0.00 0.00 46.19 45.57 2fl1 s LEU 204 CO -0.08 -0.25 0.03 0.20 -1.32 0.00 0.00 176.35 174.93 2fl1 s ASN 205 N 1.59 5.23 -0.07 3.68 0.01 -0.56 -4.18 114.94 120.64 2fl1 s ASN 205 Ca -0.03 -0.08 0.05 0.00 -0.71 0.00 0.00 52.86 52.09 2fl1 s ASN 205 Cb -0.18 -1.33 -0.00 0.00 0.41 0.00 0.00 41.25 40.15 2fl1 s ASN 205 CO -0.07 0.20 -0.22 -0.60 -1.51 0.00 0.00 177.10 174.89 2fl1 s ARG 206 N -2.18 2.50 -0.26 -0.60 3.52 -1.26 -1.68 118.95 119.00 2fl1 s ARG 206 Ca 0.26 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 55.05 2fl1 s ARG 206 Cb -0.12 -2.04 0.07 0.00 -1.56 0.00 0.00 34.95 31.30 2fl1 s ARG 206 CO 0.18 0.27 0.00 -2.00 -0.81 0.00 0.00 175.30 172.94 2fl1 s GLU 207 N 0.08 1.26 0.22 5.12 2.12 0.60 -4.98 118.70 123.12 2fl1 s GLU 207 Ca -0.09 -1.01 -0.30 0.00 0.36 0.00 0.00 54.97 53.93 2fl1 s GLU 207 Cb -0.15 -2.45 -0.09 0.00 0.26 0.00 0.00 34.13 31.70 2fl1 s GLU 207 CO 0.05 -0.72 1.22 0.34 -0.54 0.00 0.00 175.26 175.61 2fl1 s ASP 208 N 1.46 7.03 -0.18 -1.70 -1.08 -1.26 -0.01 116.67 120.94 2fl1 s ASP 208 Ca 0.00 2.33 0.21 0.00 -0.52 0.00 0.00 52.55 54.57 2fl1 s ASP 208 Cb -0.18 -2.62 0.47 0.00 -1.46 0.00 0.00 42.92 39.13 2fl1 s ASP 208 CO -0.11 -0.39 1.15 0.54 0.52 0.00 0.00 175.17 176.88 2fl1 n ARG 209 N 2.16 1.39 -1.79 4.34 1.74 0.04 -4.90 116.66 119.64 2fl1 n ARG 209 Ca 0.03 -3.09 -0.30 0.00 -0.77 0.00 0.00 57.85 53.72 2fl1 n ARG 209 Cb 0.44 -1.18 0.05 0.00 -1.02 0.00 0.00 32.46 30.75 2fl1 n ARG 209 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2fl1 s SER 210 N -3.16 5.40 0.00 0.55 0.01 -0.80 -4.60 113.70 111.11 2fl1 s SER 210 Ca 0.33 1.27 0.00 0.00 1.31 0.00 0.00 55.95 58.86 2fl1 s SER 210 Cb 0.36 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.48 2fl1 s SER 210 CO -0.07 -1.38 0.00 -0.90 0.41 0.00 0.00 173.24 171.29 2fl1 n ASP 211 N -3.05 0.00 0.22 2.44 5.68 -0.51 -4.95 116.55 116.38 2fl1 n ASP 211 Ca 0.07 -0.84 0.08 0.00 -0.50 0.00 0.00 54.79 53.60 2fl1 n ASP 211 Cb 0.56 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.06 2fl1 n ASP 211 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2fl1 h ALA 212 N 1.07 1.28 0.00 2.12 0.00 -2.05 -3.32 119.26 118.35 2fl1 h ALA 212 Ca 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2fl1 h ALA 212 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2fl1 h ALA 212 CO 0.00 0.31 -0.63 0.87 0.00 0.00 0.00 179.25 179.80 2fl1 h LYS 213 N 0.00 0.00 -5.83 0.00 1.57 -2.02 -3.49 116.57 106.79 2fl1 h LYS 213 Ca -0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 2fl1 h LYS 213 Cb 0.55 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.65 2fl1 h LYS 213 CO 0.03 0.48 -0.80 -0.80 -0.57 0.00 0.00 179.45 177.79 2fl1 s ASN 214 N -6.16 2.28 -0.24 0.86 -0.87 -1.25 -5.12 114.94 104.44 2fl1 s ASN 214 Ca -0.18 -0.72 -0.12 0.00 -1.57 0.00 0.00 52.86 50.28 2fl1 s ASN 214 Cb 0.02 -0.11 -0.05 0.00 -0.02 0.00 0.00 41.25 41.10 2fl1 s ASN 214 CO 0.38 -0.02 0.21 -1.58 -2.57 0.00 0.00 177.10 173.52 2fl1 s GLN 215 N -2.12 4.06 0.04 -0.60 0.74 -1.26 -1.42 119.66 119.10 2fl1 s GLN 215 Ca 0.06 -0.20 -0.26 0.00 0.05 0.00 0.00 55.36 55.01 2fl1 s GLN 215 Cb -0.09 -3.57 0.07 0.00 1.10 0.00 0.00 33.01 30.52 2fl1 s GLN 215 CO 0.04 -0.02 0.62 -1.59 -0.55 0.00 0.00 175.29 173.79 2fl1 s LYS 216 N 1.29 1.13 0.23 1.67 -2.85 -1.26 -0.74 119.74 119.21 2fl1 s LYS 216 Ca 0.09 -0.10 -0.13 0.00 -1.00 0.00 0.00 55.97 54.84 2fl1 s LYS 216 Cb -0.14 0.52 -0.00 0.00 -2.06 0.00 0.00 37.83 36.15 2fl1 s LYS 216 CO 0.07 -0.42 0.45 1.67 0.10 0.00 0.00 175.35 177.22 2fl1 s TRP 217 N -2.34 0.32 0.06 1.78 -2.14 -0.72 -0.78 118.94 115.12 2fl1 s TRP 217 Ca -0.06 -0.68 0.08 0.00 2.66 0.00 0.00 56.10 58.10 2fl1 s TRP 217 Cb -0.01 0.17 -0.03 0.00 -3.10 0.00 0.00 33.47 30.50 2fl1 s TRP 217 CO -0.00 -0.94 -0.19 -1.14 -2.66 0.00 0.00 176.95 172.02 2fl1 s GLN 218 N -4.00 1.98 0.04 3.25 0.74 0.99 -1.32 119.66 121.33 2fl1 s GLN 218 Ca 0.20 -1.04 0.07 0.00 0.05 0.00 0.00 55.36 54.64 2fl1 s GLN 218 Cb -0.00 -2.15 -0.02 0.00 1.10 0.00 0.00 33.01 31.93 2fl1 s GLN 218 CO 0.06 0.52 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.62 2fl1 s LEU 219 N -1.60 2.16 -0.08 3.68 1.43 0.82 -0.29 118.68 124.80 2fl1 s LEU 219 Ca 0.15 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.74 2fl1 s LEU 219 Cb -0.10 -0.94 0.02 0.00 0.03 0.00 0.00 46.19 45.20 2fl1 s LEU 219 CO 0.06 0.15 -0.04 -0.63 0.23 0.00 0.00 176.35 176.13 2fl1 s ILE 220 N -0.78 0.63 0.11 -0.59 1.01 -0.68 -0.41 121.20 120.50 2fl1 s ILE 220 Ca 0.07 -0.08 0.10 0.00 0.00 0.00 0.00 60.65 60.74 2fl1 s ILE 220 Cb -0.09 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 2fl1 s ILE 220 CO 0.02 0.29 -0.24 -0.70 0.00 0.00 0.00 174.94 174.31 2fl1 s GLU 221 N 1.61 1.27 -0.07 2.79 2.12 -0.84 -1.49 118.70 124.09 2fl1 s GLU 221 Ca 0.01 -1.25 -0.03 0.00 0.36 0.00 0.00 54.97 54.06 2fl1 s GLU 221 Cb -0.13 -1.64 0.04 0.00 0.26 0.00 0.00 34.13 32.66 2fl1 s GLU 221 CO -0.05 0.39 0.14 -1.58 -0.54 0.00 0.00 175.26 173.62 2fl1 s HIS 222 N -1.10 -0.14 0.01 5.30 5.65 -0.40 -1.94 115.29 122.66 2fl1 s HIS 222 Ca 0.10 0.50 0.02 0.00 0.25 0.00 0.00 55.06 55.92 2fl1 s HIS 222 Cb -0.10 -0.21 -0.01 0.00 -1.18 0.00 0.00 32.58 31.09 2fl1 s HIS 222 CO 0.05 -0.21 -0.06 0.00 -0.65 0.00 0.00 174.74 173.88 2fl1 s ALA 223 N 1.74 0.44 -0.01 1.58 0.00 0.37 -1.23 121.76 124.66 2fl1 s ALA 223 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2fl1 s ALA 223 Cb -0.12 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2fl1 s ALA 223 CO -0.05 0.08 0.00 -1.50 0.00 0.00 0.00 175.76 174.28 2fl1 s ILE 224 N -0.37 0.04 0.20 0.00 2.07 -0.90 -1.64 121.20 120.59 2fl1 s ILE 224 Ca -0.01 0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.24 2fl1 s ILE 224 Cb -0.04 -0.08 -0.05 0.00 0.13 0.00 0.00 42.46 42.43 2fl1 s ILE 224 CO -0.00 0.04 0.41 0.00 -1.91 0.00 0.00 174.94 173.48 2fl1 s ALA 225 N 0.30 3.78 -0.01 1.50 0.00 0.57 -1.62 121.76 126.28 2fl1 s ALA 225 Ca -0.03 -0.69 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 2fl1 s ALA 225 Cb -0.04 -2.09 0.12 0.00 0.00 0.00 0.00 23.12 21.11 2fl1 s ALA 225 CO -0.01 0.49 1.23 -1.54 0.00 0.00 0.00 175.76 175.93 2fl1 s SER 226 N -2.91 -0.08 0.00 0.00 1.04 -0.57 -4.49 113.70 106.69 2fl1 s SER 226 Ca 0.40 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.68 2fl1 s SER 226 Cb -0.11 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2fl1 s SER 226 CO 0.28 -0.37 0.00 0.54 0.98 0.00 0.00 173.24 174.67 2fl1 n ARG 227 N -0.44 1.40 -1.57 4.02 5.12 -1.26 0.52 116.66 124.45 2fl1 n ARG 227 Ca -0.07 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.46 2fl1 n ARG 227 Cb 0.62 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.96 2fl1 n ARG 227 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2fl1 n SER 228 N -2.35 0.31 -0.28 0.55 2.88 -1.26 -4.81 113.62 108.65 2fl1 n SER 228 Ca 0.00 0.82 0.13 0.00 -1.33 0.00 0.00 58.87 58.49 2fl1 n SER 228 Cb 0.00 -1.32 0.40 0.00 -0.75 0.00 0.00 64.21 62.54 2fl1 n SER 228 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2fl1 n ALA 229 N -1.53 3.00 -2.72 -1.46 0.00 -1.26 -4.85 120.51 111.70 2fl1 n ALA 229 Ca 0.12 -0.41 -0.36 0.00 0.00 0.00 0.00 53.44 52.79 2fl1 n ALA 229 Cb 0.46 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.70 2fl1 n ALA 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2fl1 s LEU 230 N -2.43 4.22 0.00 0.00 1.43 -1.26 -5.33 118.68 115.31 2fl1 s LEU 230 Ca 0.26 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 2fl1 s LEU 230 Cb 0.19 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 44.12 2fl1 s LEU 230 CO 0.49 0.11 0.18 -2.65 0.23 0.00 0.00 176.35 174.71