#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xa9 n LYS 5 N 0.00 0.00 -0.15 -1.46 2.85 -1.26 -4.78 118.16 113.37 1xa9 n LYS 5 Ca 0.00 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.30 1xa9 n LYS 5 Cb 0.00 0.00 0.12 0.00 -0.65 0.00 0.00 35.03 34.50 1xa9 n LYS 5 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1xa9 n HIS 6 N -0.22 0.38 0.00 5.58 -0.00 -1.26 -4.64 115.22 115.05 1xa9 n HIS 6 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 1xa9 n HIS 6 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 29.97 1xa9 n HIS 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xa9 n GLY 7 N 0.85 2.11 3.73 1.57 0.00 -1.26 -4.21 105.19 107.97 1xa9 n GLY 7 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1xa9 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xa9 s LEU 8 N 0.00 3.29 0.37 0.99 1.43 -1.26 -4.87 118.68 118.63 1xa9 s LEU 8 Ca 0.00 -0.71 0.07 0.00 -1.03 0.00 0.00 54.13 52.47 1xa9 s LEU 8 Cb 0.00 -1.79 -0.07 0.00 0.03 0.00 0.00 46.19 44.36 1xa9 s LEU 8 CO 0.00 -0.23 -0.02 -0.54 0.23 0.00 0.00 176.35 175.80 1xa9 s LYS 9 N -3.82 1.83 0.62 1.70 -0.14 -1.26 -4.31 119.74 114.36 1xa9 s LYS 9 Ca 0.36 -2.00 0.36 0.00 -1.36 0.00 0.00 55.97 53.33 1xa9 s LYS 9 Cb -0.04 -1.49 2.07 0.00 -1.68 0.00 0.00 37.83 36.69 1xa9 s LYS 9 CO 0.22 -0.01 2.31 0.93 -0.76 0.00 0.00 175.35 178.04 1xa9 h GLU 10 N 1.94 0.00 -3.22 1.68 5.08 -1.92 -3.39 114.58 114.75 1xa9 h GLU 10 Ca -0.43 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.52 1xa9 h GLU 10 Cb 1.24 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.09 1xa9 h GLU 10 CO 0.75 0.00 -0.75 -2.00 -1.00 0.00 0.00 179.01 176.01 1xa9 s GLU 11 N -4.45 0.02 0.20 2.33 2.12 -1.26 -4.24 118.70 113.42 1xa9 s GLU 11 Ca -0.05 0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.44 1xa9 s GLU 11 Cb 0.14 -1.13 -0.00 0.00 0.26 0.00 0.00 34.13 33.40 1xa9 s GLU 11 CO 0.49 -0.48 0.02 -1.33 -0.54 0.00 0.00 175.26 173.42 1xa9 n MET 12 N 5.28 1.27 -4.25 4.30 2.81 -0.35 -4.95 117.12 121.23 1xa9 n MET 12 Ca -0.05 -1.49 -0.22 0.00 -1.81 0.00 0.00 57.70 54.13 1xa9 n MET 12 Cb 0.50 0.53 -0.12 0.00 -0.71 0.00 0.00 33.22 33.41 1xa9 n MET 12 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1xa9 s THR 13 N -1.89 1.51 0.03 2.03 -4.23 -0.58 -1.53 115.64 110.99 1xa9 s THR 13 Ca 0.03 -1.53 0.03 0.00 -1.18 0.00 0.00 61.69 59.04 1xa9 s THR 13 Cb 0.00 -1.44 -0.02 0.00 1.34 0.00 0.00 72.50 72.38 1xa9 s THR 13 CO 0.02 -0.16 -0.10 0.00 -0.54 0.00 0.00 174.62 173.84 1xa9 s MET 14 N -2.01 0.65 0.03 3.99 0.23 -0.83 0.70 119.30 122.05 1xa9 s MET 14 Ca 0.05 -0.64 0.07 0.00 -1.03 0.00 0.00 55.69 54.14 1xa9 s MET 14 Cb -0.09 -0.55 -0.03 0.00 -1.53 0.00 0.00 34.83 32.62 1xa9 s MET 14 CO 0.04 0.13 -0.17 0.15 -2.03 0.00 0.00 175.02 173.14 1xa9 s LYS 15 N -1.11 2.13 -0.03 3.16 1.02 -0.05 -2.06 119.74 122.80 1xa9 s LYS 15 Ca -0.03 -0.95 0.02 0.00 0.02 0.00 0.00 55.97 55.03 1xa9 s LYS 15 Cb -0.07 -2.22 0.01 0.00 -0.52 0.00 0.00 37.83 35.02 1xa9 s LYS 15 CO 0.01 0.55 -0.07 0.71 -0.92 0.00 0.00 175.35 175.62 1xa9 s TYR 16 N -0.92 0.83 -0.28 3.18 1.51 -0.19 -1.96 117.35 119.52 1xa9 s TYR 16 Ca 0.15 -0.21 -0.03 0.00 -1.01 0.00 0.00 57.07 55.96 1xa9 s TYR 16 Cb -0.11 -0.63 0.09 0.00 -0.11 0.00 0.00 41.96 41.21 1xa9 s TYR 16 CO 0.05 -0.12 0.12 -1.58 -1.11 0.00 0.00 175.55 172.91 1xa9 s HIS 17 N 0.42 0.60 -0.09 2.71 2.46 -1.02 -0.64 115.29 119.73 1xa9 s HIS 17 Ca -0.06 -0.99 -0.01 0.00 0.47 0.00 0.00 55.06 54.47 1xa9 s HIS 17 Cb -0.10 -1.04 -0.03 0.00 -0.13 0.00 0.00 32.58 31.28 1xa9 s HIS 17 CO 0.00 -0.80 -0.04 1.41 -2.47 0.00 0.00 174.74 172.84 1xa9 s MET 18 N 2.00 3.02 -0.09 2.88 0.00 0.57 -2.40 119.30 125.29 1xa9 s MET 18 Ca 0.08 -0.50 0.03 0.00 0.00 0.00 0.00 55.69 55.30 1xa9 s MET 18 Cb -0.16 -2.72 0.01 0.00 0.00 0.00 0.00 34.83 31.95 1xa9 s MET 18 CO -0.31 0.59 -0.19 -1.21 0.00 0.00 0.00 175.02 173.90 1xa9 s GLU 19 N -0.58 2.47 0.32 4.11 2.02 -0.90 0.99 118.70 127.12 1xa9 s GLU 19 Ca 0.09 -0.67 -0.02 0.00 0.02 0.00 0.00 54.97 54.39 1xa9 s GLU 19 Cb -0.12 -1.94 0.01 0.00 0.10 0.00 0.00 34.13 32.18 1xa9 s GLU 19 CO 0.02 0.09 0.44 0.41 0.02 0.00 0.00 175.26 176.24 1xa9 n GLY 20 N 3.73 2.21 3.11 -1.39 0.00 -0.30 -0.98 105.19 111.58 1xa9 n GLY 20 Ca -0.20 -1.59 0.02 0.00 0.00 0.00 0.00 46.02 44.24 1xa9 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xa9 s VAL 22 N 2.81 2.64 -1.56 0.00 1.01 -0.07 -1.17 120.40 124.06 1xa9 s VAL 22 Ca 0.20 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 1xa9 s VAL 22 Cb -0.15 -2.09 0.06 0.00 0.00 0.00 0.00 36.38 34.19 1xa9 s VAL 22 CO -0.20 0.53 0.40 0.59 0.00 0.00 0.00 175.10 176.42 1xa9 n ASN 23 N 3.80 -0.77 0.00 3.32 4.13 0.54 0.87 115.26 127.15 1xa9 n ASN 23 Ca -0.19 -1.11 0.00 0.00 1.68 0.00 0.00 54.58 54.96 1xa9 n ASN 23 Cb 0.52 -2.44 0.00 0.00 -1.54 0.00 0.00 39.78 36.32 1xa9 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xa9 n GLY 24 N -1.94 2.04 3.58 7.41 0.00 -1.26 -4.98 105.19 110.04 1xa9 n GLY 24 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1xa9 n GLY 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xa9 s HIS 25 N -2.93 3.18 0.48 1.61 5.04 0.25 -5.03 115.29 117.90 1xa9 s HIS 25 Ca 0.00 0.45 -0.18 0.00 -1.54 0.00 0.00 55.06 53.79 1xa9 s HIS 25 Cb 0.00 -3.08 -0.09 0.00 0.04 0.00 0.00 32.58 29.45 1xa9 s HIS 25 CO 0.00 -0.56 0.97 0.15 -2.34 0.00 0.00 174.74 172.95 1xa9 s LYS 26 N 2.67 4.04 -0.02 2.88 3.01 -1.26 -0.89 119.74 130.16 1xa9 s LYS 26 Ca 0.25 1.00 -0.29 0.00 -1.01 0.00 0.00 55.97 55.92 1xa9 s LYS 26 Cb -0.15 -2.16 0.10 0.00 -1.01 0.00 0.00 37.83 34.62 1xa9 s LYS 26 CO 0.14 -0.19 0.89 -0.59 0.51 0.00 0.00 175.35 176.10 1xa9 s PHE 27 N -2.47 -0.37 0.04 3.18 -0.12 -0.68 -4.42 117.98 113.13 1xa9 s PHE 27 Ca 0.60 0.32 0.06 0.00 -0.05 0.00 0.00 56.93 57.85 1xa9 s PHE 27 Cb -0.10 0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 42.79 1xa9 s PHE 27 CO 0.25 -0.53 -0.17 0.08 -0.05 0.00 0.00 175.22 174.81 1xa9 s VAL 28 N -2.76 1.33 0.01 -2.49 1.01 0.26 -1.14 120.40 116.61 1xa9 s VAL 28 Ca 0.03 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 1xa9 s VAL 28 Cb -0.01 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1xa9 s VAL 28 CO -0.07 0.10 -0.01 -0.63 0.00 0.00 0.00 175.10 174.49 1xa9 s ILE 29 N -0.80 0.06 -0.00 2.22 1.01 0.28 -1.98 121.20 121.98 1xa9 s ILE 29 Ca 0.04 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1xa9 s ILE 29 Cb -0.08 -0.14 -0.01 0.00 0.01 0.00 0.00 42.46 42.24 1xa9 s ILE 29 CO 0.01 -0.25 -0.10 0.42 0.00 0.00 0.00 174.94 175.02 1xa9 s THR 30 N -0.73 0.81 0.17 2.92 -4.23 -0.82 -0.31 115.64 113.44 1xa9 s THR 30 Ca -0.08 -0.51 -0.05 0.00 -1.18 0.00 0.00 61.69 59.87 1xa9 s THR 30 Cb -0.05 -0.69 -0.03 0.00 1.34 0.00 0.00 72.50 73.07 1xa9 s THR 30 CO -0.00 0.18 0.19 -0.83 -0.54 0.00 0.00 174.62 173.61 1xa9 s GLY 31 N -0.38 0.91 0.02 3.99 0.00 0.19 -1.53 107.32 110.52 1xa9 s GLY 31 Ca 0.03 -1.30 -0.18 0.00 0.00 0.00 0.00 44.72 43.28 1xa9 s GLY 31 CO -0.00 -1.14 0.39 -0.54 0.00 0.00 0.00 173.10 171.81 1xa9 s GLU 32 N -4.05 0.85 0.08 2.90 2.02 -0.69 -1.02 118.70 118.79 1xa9 s GLU 32 Ca 0.26 -0.29 -0.12 0.00 0.02 0.00 0.00 54.97 54.84 1xa9 s GLU 32 Cb 0.05 0.38 0.04 0.00 0.10 0.00 0.00 34.13 34.70 1xa9 s GLU 32 CO 0.05 -0.27 0.56 0.41 0.02 0.00 0.00 175.26 176.02 1xa9 n GLY 33 N 0.75 0.84 2.99 -1.39 0.00 -0.87 0.48 105.19 107.99 1xa9 n GLY 33 Ca -0.19 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 1xa9 n GLY 33 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xa9 s ILE 34 N -2.27 0.32 0.22 -0.61 -4.36 -0.85 -1.97 121.20 111.69 1xa9 s ILE 34 Ca 0.13 -0.70 -0.13 0.00 -0.26 0.00 0.00 60.65 59.69 1xa9 s ILE 34 Cb -0.01 -0.38 0.00 0.00 1.25 0.00 0.00 42.46 43.32 1xa9 s ILE 34 CO 0.02 -0.25 0.46 -0.83 0.24 0.00 0.00 174.94 174.58 1xa9 s GLY 35 N -1.01 0.37 -0.62 6.27 0.00 -0.58 -2.10 107.32 109.66 1xa9 s GLY 35 Ca -0.08 -0.72 0.05 0.00 0.00 0.00 0.00 44.72 43.97 1xa9 s GLY 35 CO -0.00 -0.58 0.54 -1.72 0.00 0.00 0.00 173.10 171.34 1xa9 n TYR 36 N -0.34 2.36 -0.33 1.90 4.02 0.92 -1.21 117.16 124.48 1xa9 n TYR 36 Ca -0.05 -4.05 0.17 0.00 -0.01 0.00 0.00 57.90 53.97 1xa9 n TYR 36 Cb 0.62 -0.44 0.34 0.00 -0.02 0.00 0.00 39.34 39.85 1xa9 n TYR 36 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1xa9 h PRO 37 N 5.00 0.05 0.00 -0.72 0.11 -1.76 1.29 132.00 135.97 1xa9 h PRO 37 Ca 0.18 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 1xa9 h PRO 37 Cb 0.77 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 1xa9 h PRO 37 CO 0.67 0.03 -0.27 0.74 -0.21 0.00 0.00 178.00 178.95 1xa9 h PHE 38 N 0.05 0.00 0.00 0.65 -1.00 -1.82 -2.89 116.94 111.93 1xa9 h PHE 38 Ca 0.63 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.41 1xa9 h PHE 38 Cb 1.39 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.95 1xa9 h PHE 38 CO -0.36 0.27 -1.13 1.63 -1.61 0.00 0.00 178.31 177.11 1xa9 n LYS 39 N -3.40 0.40 -2.43 1.51 4.76 0.38 -4.41 118.16 114.97 1xa9 n LYS 39 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1xa9 n LYS 39 Cb 0.47 -1.64 0.01 0.00 -1.84 0.00 0.00 35.03 32.03 1xa9 n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xa9 n GLY 40 N 1.31 0.45 3.13 0.72 0.00 0.22 -4.41 105.19 106.62 1xa9 n GLY 40 Ca 0.01 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 1xa9 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xa9 s LYS 41 N -4.78 1.16 -0.02 1.61 1.02 -1.09 -0.31 119.74 117.34 1xa9 s LYS 41 Ca 0.06 -0.59 -0.24 0.00 0.02 0.00 0.00 55.97 55.22 1xa9 s LYS 41 Cb -0.03 -1.14 0.05 0.00 -0.52 0.00 0.00 37.83 36.19 1xa9 s LYS 41 CO 0.08 0.31 0.52 1.14 -0.92 0.00 0.00 175.35 176.48 1xa9 s GLN 42 N -0.54 0.93 -0.08 1.68 -2.07 0.07 -0.06 119.66 119.59 1xa9 s GLN 42 Ca 0.05 -0.00 -0.03 0.00 -1.82 0.00 0.00 55.36 53.56 1xa9 s GLN 42 Cb -0.06 0.43 0.04 0.00 -1.09 0.00 0.00 33.01 32.33 1xa9 s GLN 42 CO -0.00 -0.29 0.06 0.99 -1.32 0.00 0.00 175.29 174.73 1xa9 s THR 43 N -1.54 -0.04 0.18 3.63 2.01 -0.89 -0.88 115.64 118.11 1xa9 s THR 43 Ca -0.10 0.21 0.10 0.00 0.31 0.00 0.00 61.69 62.20 1xa9 s THR 43 Cb -0.02 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 1xa9 s THR 43 CO 0.05 0.05 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.25 1xa9 s ILE 44 N 2.13 2.90 -0.21 1.82 -1.09 0.05 -2.01 121.20 124.79 1xa9 s ILE 44 Ca 0.04 -1.75 0.01 0.00 -2.23 0.00 0.00 60.65 56.72 1xa9 s ILE 44 Cb -0.13 -2.41 0.04 0.00 -1.58 0.00 0.00 42.46 38.38 1xa9 s ILE 44 CO -0.05 -0.09 -0.11 0.20 -1.23 0.00 0.00 174.94 173.66 1xa9 s ASN 45 N -2.70 3.56 0.08 3.58 -0.87 0.18 -0.59 114.94 118.18 1xa9 s ASN 45 Ca 0.23 -0.96 -0.00 0.00 -1.57 0.00 0.00 52.86 50.55 1xa9 s ASN 45 Cb -0.09 -1.30 -0.04 0.00 -0.02 0.00 0.00 41.25 39.80 1xa9 s ASN 45 CO 0.13 -0.14 0.24 -0.76 -2.57 0.00 0.00 177.10 174.00 1xa9 s LEU 46 N 1.34 4.34 -0.07 0.60 2.01 0.19 -1.70 118.68 125.39 1xa9 s LEU 46 Ca -0.02 0.30 -0.03 0.00 0.01 0.00 0.00 54.13 54.39 1xa9 s LEU 46 Cb -0.17 -3.00 0.04 0.00 0.01 0.00 0.00 46.19 43.07 1xa9 s LEU 46 CO -0.08 0.14 0.14 0.00 1.01 0.00 0.00 176.35 177.56 1xa9 s VAL 48 N 1.50 3.99 0.26 0.00 1.01 -0.54 -1.95 120.40 124.67 1xa9 s VAL 48 Ca -0.06 -0.40 0.15 0.00 0.00 0.00 0.00 61.98 61.67 1xa9 s VAL 48 Cb -0.12 -4.94 0.08 0.00 0.00 0.00 0.00 36.38 31.41 1xa9 s VAL 48 CO -0.06 -1.81 1.73 0.40 0.00 0.00 0.00 175.10 175.37 1xa9 h ILE 49 N 6.33 1.13 -2.59 2.22 1.08 -1.74 -3.41 117.51 120.52 1xa9 h ILE 49 Ca -0.03 -1.62 -0.11 0.00 -0.39 0.00 0.00 64.86 62.71 1xa9 h ILE 49 Cb 1.03 1.92 -0.27 0.00 -3.07 0.00 0.00 36.82 36.43 1xa9 h ILE 49 CO 1.31 0.43 -0.33 -1.61 -0.69 0.00 0.00 178.15 177.27 1xa9 s GLU 50 N -3.76 0.36 0.00 2.37 2.02 -0.97 -4.90 118.70 113.83 1xa9 s GLU 50 Ca -0.01 0.89 0.00 0.00 0.02 0.00 0.00 54.97 55.86 1xa9 s GLU 50 Cb 0.12 0.11 0.00 0.00 0.10 0.00 0.00 34.13 34.46 1xa9 s GLU 50 CO 0.71 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 176.21 1xa9 n GLY 51 N 4.71 0.86 3.91 -1.39 0.00 -1.26 0.91 105.19 112.92 1xa9 n GLY 51 Ca -0.17 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 1xa9 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xa9 s GLY 52 N -2.10 1.83 0.29 -0.02 0.00 -1.26 -3.73 107.32 102.33 1xa9 s GLY 52 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 44.72 43.86 1xa9 s GLY 52 CO 0.00 -0.47 1.09 2.56 0.00 0.00 0.00 173.10 176.28 1xa9 s PRO 53 N -3.59 4.60 0.48 2.90 0.04 -1.26 -5.07 135.00 133.09 1xa9 s PRO 53 Ca 0.44 1.76 -0.23 0.00 0.04 0.00 0.00 61.00 63.01 1xa9 s PRO 53 Cb -0.11 -3.13 -0.07 0.00 0.04 0.00 0.00 34.50 31.24 1xa9 s PRO 53 CO 0.30 0.19 1.26 -0.51 0.04 0.00 0.00 177.00 178.28 1xa9 s LEU 54 N -1.56 4.01 0.00 -3.56 1.43 -1.24 -4.90 118.68 112.85 1xa9 s LEU 54 Ca 0.46 2.53 0.28 0.00 -1.03 0.00 0.00 54.13 56.37 1xa9 s LEU 54 Cb -0.31 -4.18 1.10 0.00 0.03 0.00 0.00 46.19 42.83 1xa9 s LEU 54 CO 0.39 -1.11 1.78 -0.81 0.23 0.00 0.00 176.35 176.83 1xa9 n PRO 55 N -0.52 0.73 -4.47 1.29 -0.04 -1.26 -4.89 135.00 125.83 1xa9 n PRO 55 Ca 0.07 -0.31 -0.23 0.00 -0.04 0.00 0.00 63.50 62.99 1xa9 n PRO 55 Cb 0.46 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 1xa9 n PRO 55 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1xa9 s PHE 56 N -2.48 2.20 0.32 0.54 -0.12 -1.26 -4.62 117.98 112.56 1xa9 s PHE 56 Ca 0.28 -0.45 -0.28 0.00 -0.05 0.00 0.00 56.93 56.43 1xa9 s PHE 56 Cb 0.20 -1.08 -0.13 0.00 -0.63 0.00 0.00 43.02 41.38 1xa9 s PHE 56 CO 0.49 0.59 1.15 0.45 -0.05 0.00 0.00 175.22 177.85 1xa9 n SER 57 N -0.63 2.03 0.24 1.98 2.88 0.29 -4.86 113.62 115.56 1xa9 n SER 57 Ca -0.05 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 58.80 1xa9 n SER 57 Cb 0.61 -1.39 0.54 0.00 -0.75 0.00 0.00 64.21 63.22 1xa9 n SER 57 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1xa9 h GLU 58 N 2.27 0.00 -0.94 -1.46 5.08 -1.95 -3.22 114.58 114.36 1xa9 h GLU 58 Ca -0.43 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.09 1xa9 h GLU 58 Cb 1.31 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.46 1xa9 h GLU 58 CO 0.62 0.15 0.54 -0.44 -1.00 0.00 0.00 179.01 178.88 1xa9 h ASP 59 N 0.00 0.71 0.14 1.42 3.32 -1.93 -1.94 116.42 118.13 1xa9 h ASP 59 Ca -0.00 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1xa9 h ASP 59 Cb 0.66 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 1xa9 h ASP 59 CO 0.02 0.30 -0.03 0.16 -1.72 0.00 0.00 179.24 177.97 1xa9 h ILE 60 N 0.75 0.39 0.00 0.35 3.07 -1.95 -2.60 117.51 117.52 1xa9 h ILE 60 Ca 0.52 -0.16 -0.06 0.00 1.55 0.00 0.00 64.86 66.71 1xa9 h ILE 60 Cb 0.72 1.11 -0.01 0.00 -0.27 0.00 0.00 36.82 38.37 1xa9 h ILE 60 CO -0.35 0.03 -0.91 -0.07 -1.05 0.00 0.00 178.15 175.80 1xa9 h LEU 61 N 0.00 0.00 -0.72 0.16 3.38 -1.58 -3.42 115.31 113.13 1xa9 h LEU 61 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1xa9 h LEU 61 Cb 0.11 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.77 1xa9 h LEU 61 CO 0.00 0.21 -0.42 -1.20 0.09 0.00 0.00 178.44 177.13 1xa9 n SER 62 N -2.86 -0.76 0.10 -0.43 7.64 -0.98 0.20 113.62 116.53 1xa9 n SER 62 Ca -0.02 1.52 0.09 0.00 1.01 0.00 0.00 58.87 61.46 1xa9 n SER 62 Cb 0.65 -0.28 0.41 0.00 -1.01 0.00 0.00 64.21 63.97 1xa9 n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xa9 n ALA 63 N -3.20 1.36 0.03 -0.43 0.00 -1.26 -0.66 120.51 116.35 1xa9 n ALA 63 Ca 0.01 0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.44 1xa9 n ALA 63 Cb 0.19 -1.27 0.04 0.00 0.00 0.00 0.00 19.45 18.40 1xa9 n ALA 63 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1xa9 h GLY 64 N 1.23 0.51 -7.62 0.00 0.00 -0.50 -3.45 103.07 93.25 1xa9 h GLY 64 Ca 0.00 -0.68 -0.78 0.00 0.00 0.00 0.00 47.33 45.88 1xa9 h GLY 64 CO 0.00 0.60 0.75 -1.36 0.00 0.00 0.00 176.54 176.53 1xa9 s PHE 65 N -3.76 3.98 0.00 5.60 0.40 0.17 -5.00 117.98 119.37 1xa9 s PHE 65 Ca -0.06 -2.46 0.00 0.00 -0.60 0.00 0.00 56.93 53.80 1xa9 s PHE 65 Cb 0.11 -4.01 0.00 0.00 0.51 0.00 0.00 43.02 39.63 1xa9 s PHE 65 CO 0.84 -1.11 0.00 -3.47 0.70 0.00 0.00 175.22 172.18 1xa9 n ASP 69 N 3.79 0.00 0.08 1.36 -0.08 -1.26 -5.10 116.55 115.34 1xa9 n ASP 69 Ca 0.28 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.61 1xa9 n ASP 69 Cb 0.41 0.00 0.27 0.00 2.34 0.00 0.00 41.12 44.14 1xa9 n ASP 69 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1xa9 n ARG 70 N 0.00 0.06 0.13 -0.67 5.12 -1.26 -1.84 116.66 118.20 1xa9 n ARG 70 Ca 0.00 0.55 0.10 0.00 -1.93 0.00 0.00 57.85 56.57 1xa9 n ARG 70 Cb 0.00 -1.76 0.49 0.00 -1.16 0.00 0.00 32.46 30.03 1xa9 n ARG 70 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1xa9 n ILE 71 N -1.84 1.05 -2.72 0.55 -5.35 -1.26 -2.89 119.36 106.90 1xa9 n ILE 71 Ca -0.01 0.51 -0.43 0.00 -0.27 0.00 0.00 62.75 62.56 1xa9 n ILE 71 Cb 0.06 -1.47 0.01 0.00 -1.74 0.00 0.00 39.64 36.49 1xa9 n ILE 71 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1xa9 n PHE 72 N -2.14 2.48 -3.77 4.28 3.01 -0.77 -4.57 117.46 115.98 1xa9 n PHE 72 Ca 0.00 -2.64 -0.13 0.00 1.01 0.00 0.00 57.45 55.70 1xa9 n PHE 72 Cb 0.11 -1.47 -0.12 0.00 -0.01 0.00 0.00 39.48 37.98 1xa9 n PHE 72 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1xa9 s THR 73 N -1.96 -0.02 -0.32 4.37 2.01 -1.14 -4.35 115.64 114.23 1xa9 s THR 73 Ca 0.35 0.06 -0.24 0.00 0.31 0.00 0.00 61.69 62.17 1xa9 s THR 73 Cb 0.08 -0.34 0.00 0.00 0.01 0.00 0.00 72.50 72.26 1xa9 s THR 73 CO 0.05 0.02 0.82 -0.70 -0.69 0.00 0.00 174.62 174.12 1xa9 s GLU 74 N 0.56 3.91 -0.12 4.92 2.12 -0.86 -4.45 118.70 124.79 1xa9 s GLU 74 Ca -0.04 0.55 -0.02 0.00 0.36 0.00 0.00 54.97 55.83 1xa9 s GLU 74 Cb -0.05 -3.75 -0.03 0.00 0.26 0.00 0.00 34.13 30.56 1xa9 s GLU 74 CO -0.03 -0.75 -0.04 0.71 -0.54 0.00 0.00 175.26 174.61 1xa9 s TYR 75 N 3.07 3.02 0.79 5.30 1.51 -1.26 -1.34 117.35 128.44 1xa9 s TYR 75 Ca 0.33 -0.13 -0.12 0.00 -1.01 0.00 0.00 57.07 56.14 1xa9 s TYR 75 Cb -0.14 -1.86 0.07 0.00 -0.11 0.00 0.00 41.96 39.92 1xa9 s TYR 75 CO 0.14 0.14 1.12 -1.25 -1.11 0.00 0.00 175.55 174.60 1xa9 s PRO 76 N -0.16 2.00 0.09 -1.71 0.04 -1.26 -4.94 135.00 129.06 1xa9 s PRO 76 Ca 0.03 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 62.23 1xa9 s PRO 76 Cb -0.13 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.43 1xa9 s PRO 76 CO 0.02 -1.87 1.68 1.96 0.04 0.00 0.00 177.00 178.84 1xa9 h GLN 77 N -1.04 0.11 0.00 4.56 7.50 -1.99 -2.39 115.11 121.86 1xa9 h GLN 77 Ca -0.44 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.69 1xa9 h GLN 77 Cb 1.25 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.76 1xa9 h GLN 77 CO 0.49 0.15 0.07 0.38 -1.50 0.00 0.00 178.83 178.42 1xa9 h ASP 78 N 0.04 0.00 -3.34 1.46 2.03 -2.03 -3.40 116.42 111.18 1xa9 h ASP 78 Ca 0.03 0.00 -0.64 0.00 -0.73 0.00 0.00 57.03 55.68 1xa9 h ASP 78 Cb 0.07 0.00 -0.24 0.00 -0.83 0.00 0.00 39.33 38.34 1xa9 h ASP 78 CO -0.00 0.00 -0.69 -0.63 -1.03 0.00 0.00 179.24 176.88 1xa9 s ILE 79 N -3.77 3.65 0.28 4.15 1.01 -0.90 -5.01 121.20 120.61 1xa9 s ILE 79 Ca -0.03 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 59.89 1xa9 s ILE 79 Cb 0.08 -2.60 -0.10 0.00 0.01 0.00 0.00 42.46 39.85 1xa9 s ILE 79 CO 0.26 0.48 1.42 -0.69 0.00 0.00 0.00 174.94 176.41 1xa9 s VAL 80 N 0.60 2.59 -0.76 2.92 1.01 -1.26 -4.57 120.40 120.93 1xa9 s VAL 80 Ca -0.04 0.53 -0.09 0.00 0.00 0.00 0.00 61.98 62.38 1xa9 s VAL 80 Cb -0.15 -3.34 0.20 0.00 0.00 0.00 0.00 36.38 33.09 1xa9 s VAL 80 CO 0.03 0.10 0.65 -0.62 0.00 0.00 0.00 175.10 175.25 1xa9 s ASP 81 N 0.10 6.13 0.26 3.32 -1.08 -1.26 -4.49 116.67 119.64 1xa9 s ASP 81 Ca 0.56 -2.83 -0.02 0.00 -0.52 0.00 0.00 52.55 49.74 1xa9 s ASP 81 Cb -0.42 -2.06 0.46 0.00 -1.46 0.00 0.00 42.92 39.44 1xa9 s ASP 81 CO 0.48 -0.47 1.81 0.22 0.52 0.00 0.00 175.17 177.73 1xa9 h TYR 82 N 7.37 0.91 0.14 -5.34 3.20 -1.94 -2.04 116.97 119.27 1xa9 h TYR 82 Ca 0.06 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1xa9 h TYR 82 Cb 0.99 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.99 1xa9 h TYR 82 CO 0.89 0.35 -0.07 0.74 -1.64 0.00 0.00 178.16 178.43 1xa9 h PHE 83 N 0.81 -0.17 -0.75 -3.82 -1.00 -1.91 -3.14 116.94 106.95 1xa9 h PHE 83 Ca 0.43 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.19 1xa9 h PHE 83 Cb 0.44 0.06 -0.04 0.00 3.61 0.00 0.00 35.95 40.03 1xa9 h PHE 83 CO -0.05 0.22 0.39 0.87 -1.61 0.00 0.00 178.31 178.13 1xa9 h LYS 84 N -0.61 1.06 0.00 1.51 1.57 -1.89 -2.23 116.57 115.98 1xa9 h LYS 84 Ca -0.02 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1xa9 h LYS 84 Cb 0.47 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1xa9 h LYS 84 CO 0.03 0.81 0.00 0.09 -0.57 0.00 0.00 179.45 179.81 1xa9 n ASN 85 N -4.43 0.00 -0.42 0.86 3.02 -0.77 -1.32 115.26 112.20 1xa9 n ASN 85 Ca 0.07 0.25 0.11 0.00 -0.03 0.00 0.00 54.58 54.98 1xa9 n ASN 85 Cb 0.11 -0.33 -0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1xa9 n ASN 85 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xa9 n SER 86 N -1.33 1.85 -4.89 6.41 3.41 -0.84 -4.96 113.62 113.28 1xa9 n SER 86 Ca 0.03 -1.42 -0.29 0.00 -0.26 0.00 0.00 58.87 56.93 1xa9 n SER 86 Cb 0.06 0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 1xa9 n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xa9 n PRO 88 N -1.34 1.55 -0.20 0.00 -0.04 -1.26 -4.73 135.00 128.98 1xa9 n PRO 88 Ca 0.01 -0.80 0.15 0.00 -0.04 0.00 0.00 63.50 62.82 1xa9 n PRO 88 Cb 0.54 -1.45 0.48 0.00 -0.04 0.00 0.00 33.50 33.03 1xa9 n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xa9 h ALA 89 N 4.19 2.06 0.00 0.55 0.00 -1.70 -0.85 119.26 123.51 1xa9 h ALA 89 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xa9 h ALA 89 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1xa9 h ALA 89 CO 0.00 -0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.37 1xa9 n GLY 90 N -1.50 -1.28 3.76 0.00 0.00 0.30 -4.51 105.19 101.96 1xa9 n GLY 90 Ca 0.16 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.47 1xa9 n GLY 90 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xa9 s TYR 91 N 0.00 -0.07 0.31 1.61 -0.85 -0.89 -2.99 117.35 114.47 1xa9 s TYR 91 Ca 0.00 -0.21 0.10 0.00 -0.52 0.00 0.00 57.07 56.44 1xa9 s TYR 91 Cb 0.00 0.63 -0.06 0.00 0.38 0.00 0.00 41.96 42.91 1xa9 s TYR 91 CO 0.00 -0.72 -0.12 0.95 -1.52 0.00 0.00 175.55 174.14 1xa9 s THR 92 N -2.88 2.21 0.03 -3.49 -4.23 -0.74 -0.49 115.64 106.04 1xa9 s THR 92 Ca 0.15 -2.25 -0.19 0.00 -1.18 0.00 0.00 61.69 58.22 1xa9 s THR 92 Cb -0.00 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.37 1xa9 s THR 92 CO 0.02 -0.28 0.42 -1.66 -0.54 0.00 0.00 174.62 172.57 1xa9 s TRP 93 N -2.65 -0.29 0.02 3.99 1.48 -0.94 -1.30 118.94 119.25 1xa9 s TRP 93 Ca 0.31 0.32 0.02 0.00 -1.06 0.00 0.00 56.10 55.69 1xa9 s TRP 93 Cb 0.00 0.22 -0.01 0.00 -1.16 0.00 0.00 33.47 32.52 1xa9 s TRP 93 CO 0.15 -0.55 -0.08 0.20 -4.06 0.00 0.00 176.95 172.62 1xa9 s GLY 94 N -1.82 0.44 -0.18 3.67 0.00 -0.79 -0.70 107.32 107.96 1xa9 s GLY 94 Ca -0.07 -0.52 -0.14 0.00 0.00 0.00 0.00 44.72 44.00 1xa9 s GLY 94 CO -0.00 -0.51 0.45 -1.60 0.00 0.00 0.00 173.10 171.44 1xa9 s ARG 95 N -0.77 0.49 -0.11 2.90 3.52 -0.10 -0.80 118.95 124.07 1xa9 s ARG 95 Ca -0.02 0.71 -0.04 0.00 -0.13 0.00 0.00 55.73 56.25 1xa9 s ARG 95 Cb -0.06 0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.46 1xa9 s ARG 95 CO 0.00 -0.10 0.04 -1.54 -0.81 0.00 0.00 175.30 172.89 1xa9 s SER 96 N 0.69 5.53 -0.24 -2.12 1.04 -0.79 -0.72 113.70 117.10 1xa9 s SER 96 Ca -0.04 0.19 -0.03 0.00 0.48 0.00 0.00 55.95 56.55 1xa9 s SER 96 Cb -0.05 -1.70 0.01 0.00 0.10 0.00 0.00 66.02 64.38 1xa9 s SER 96 CO -0.05 0.34 -0.03 -0.36 0.98 0.00 0.00 173.24 174.12 1xa9 s PHE 97 N -0.66 3.01 -0.47 5.02 0.40 0.33 -3.09 117.98 122.51 1xa9 s PHE 97 Ca 0.11 -1.16 -0.04 0.00 -0.60 0.00 0.00 56.93 55.24 1xa9 s PHE 97 Cb -0.12 -2.11 0.12 0.00 0.51 0.00 0.00 43.02 41.43 1xa9 s PHE 97 CO 0.02 -0.62 0.29 -0.51 0.70 0.00 0.00 175.22 175.11 1xa9 s LEU 98 N 1.43 5.37 0.56 -0.37 1.43 -0.40 -1.22 118.68 125.48 1xa9 s LEU 98 Ca 0.04 -2.19 -0.17 0.00 -1.03 0.00 0.00 54.13 50.77 1xa9 s LEU 98 Cb -0.15 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 1xa9 s LEU 98 CO -0.03 -0.54 1.06 -0.36 0.23 0.00 0.00 176.35 176.71 1xa9 s PHE 99 N 0.92 2.96 -0.65 0.29 0.40 -0.66 -0.03 117.98 121.20 1xa9 s PHE 99 Ca 0.10 1.53 0.23 0.00 -0.60 0.00 0.00 56.93 58.18 1xa9 s PHE 99 Cb -0.23 -3.05 0.90 0.00 0.51 0.00 0.00 43.02 41.15 1xa9 s PHE 99 CO -0.03 -1.09 1.69 -0.85 0.70 0.00 0.00 175.22 175.64 1xa9 n GLU 100 N -1.70 0.16 -0.95 0.44 0.28 0.42 -2.99 120.64 116.29 1xa9 n GLU 100 Ca 0.09 0.33 -0.09 0.00 -0.16 0.00 0.00 57.16 57.33 1xa9 n GLU 100 Cb 0.53 -1.77 0.23 0.00 1.43 0.00 0.00 31.44 31.86 1xa9 n GLU 100 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1xa9 n ASP 101 N -2.06 3.73 0.00 -1.84 3.85 -1.26 -4.92 116.55 114.05 1xa9 n ASP 101 Ca 0.03 -3.47 0.00 0.00 -0.71 0.00 0.00 54.79 50.64 1xa9 n ASP 101 Cb 0.26 -0.72 0.00 0.00 -1.35 0.00 0.00 41.12 39.31 1xa9 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xa9 n GLY 102 N -0.77 3.10 3.67 6.12 0.00 -1.16 -4.70 105.19 111.45 1xa9 n GLY 102 Ca 0.42 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.04 1xa9 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xa9 n ALA 103 N -0.71 0.90 -3.60 4.61 0.00 -1.01 -4.83 120.51 115.88 1xa9 n ALA 103 Ca 0.00 0.20 -0.18 0.00 0.00 0.00 0.00 53.44 53.46 1xa9 n ALA 103 Cb 0.00 -2.21 -0.16 0.00 0.00 0.00 0.00 19.45 17.08 1xa9 n ALA 103 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xa9 s VAL 104 N -1.27 0.36 0.14 0.00 1.01 -0.28 -1.66 120.40 118.70 1xa9 s VAL 104 Ca 0.65 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.65 1xa9 s VAL 104 Cb -0.49 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1xa9 s VAL 104 CO 0.55 0.18 -0.13 0.00 0.00 0.00 0.00 175.10 175.69 1xa9 s ILE 106 N -2.46 0.08 -0.03 0.00 1.01 0.17 0.12 121.20 120.08 1xa9 s ILE 106 Ca 0.12 0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.96 1xa9 s ILE 106 Cb -0.03 -0.19 -0.01 0.00 0.01 0.00 0.00 42.46 42.24 1xa9 s ILE 106 CO 0.03 0.12 -0.21 0.00 0.00 0.00 0.00 174.94 174.88 1xa9 s ASN 108 N -0.26 1.39 0.09 0.00 3.84 -0.96 -0.93 114.94 118.11 1xa9 s ASN 108 Ca 0.02 -0.22 0.03 0.00 0.21 0.00 0.00 52.86 52.90 1xa9 s ASN 108 Cb -0.11 -0.55 -0.03 0.00 -0.55 0.00 0.00 41.25 40.01 1xa9 s ASN 108 CO 0.01 0.03 -0.09 -0.69 -2.79 0.00 0.00 177.10 173.57 1xa9 s VAL 109 N 0.54 0.85 -0.21 -5.21 1.01 0.13 -2.23 120.40 115.27 1xa9 s VAL 109 Ca -0.10 -1.60 0.01 0.00 0.00 0.00 0.00 61.98 60.29 1xa9 s VAL 109 Cb -0.13 -1.30 0.05 0.00 0.00 0.00 0.00 36.38 35.00 1xa9 s VAL 109 CO 0.02 -0.58 -0.08 -0.62 0.00 0.00 0.00 175.10 173.84 1xa9 s ASP 110 N -2.40 3.60 -0.17 3.32 3.68 0.19 -2.21 116.67 122.68 1xa9 s ASP 110 Ca 0.04 -1.02 -0.09 0.00 2.13 0.00 0.00 52.55 53.61 1xa9 s ASP 110 Cb -0.03 -1.20 -0.05 0.00 -1.45 0.00 0.00 42.92 40.19 1xa9 s ASP 110 CO -0.01 -0.19 0.12 -0.63 0.13 0.00 0.00 175.17 174.59 1xa9 s ILE 111 N 1.40 5.32 -0.14 4.11 -1.09 0.36 -0.93 121.20 130.23 1xa9 s ILE 111 Ca -0.03 0.15 -0.04 0.00 -2.23 0.00 0.00 60.65 58.50 1xa9 s ILE 111 Cb -0.17 -3.39 0.07 0.00 -1.58 0.00 0.00 42.46 37.38 1xa9 s ILE 111 CO -0.07 0.50 0.24 -0.89 -1.23 0.00 0.00 174.94 173.48 1xa9 s THR 112 N -0.06 -0.38 -0.45 2.92 2.01 0.45 -2.09 115.64 118.05 1xa9 s THR 112 Ca 0.09 0.21 -0.29 0.00 0.31 0.00 0.00 61.69 62.02 1xa9 s THR 112 Cb -0.11 -0.47 0.01 0.00 0.01 0.00 0.00 72.50 71.93 1xa9 s THR 112 CO 0.00 0.05 1.41 -0.69 -0.69 0.00 0.00 174.62 174.70 1xa9 s VAL 113 N 2.38 3.88 -0.04 3.82 1.01 -0.32 -0.89 120.40 130.24 1xa9 s VAL 113 Ca 0.03 0.87 -0.30 0.00 0.00 0.00 0.00 61.98 62.58 1xa9 s VAL 113 Cb -0.13 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 1xa9 s VAL 113 CO -0.09 -0.85 1.69 -0.55 0.00 0.00 0.00 175.10 175.30 1xa9 s SER 114 N 4.04 6.64 0.00 3.32 0.15 0.27 -4.80 113.70 123.33 1xa9 s SER 114 Ca 0.59 2.30 0.00 0.00 0.70 0.00 0.00 55.95 59.54 1xa9 s SER 114 Cb -0.13 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1xa9 s SER 114 CO 0.31 -0.94 0.17 1.33 1.20 0.00 0.00 173.24 175.31 1xa9 n VAL 115 N 5.43 0.00 1.50 4.45 0.24 -1.26 -2.78 118.33 125.91 1xa9 n VAL 115 Ca 0.17 0.62 0.15 0.00 -2.04 0.00 0.00 64.34 63.24 1xa9 n VAL 115 Cb 0.42 -1.07 0.72 0.00 -1.47 0.00 0.00 33.84 32.44 1xa9 n VAL 115 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1xa9 n LYS 116 N -0.35 0.64 0.06 7.34 2.85 -1.26 -3.89 118.16 123.55 1xa9 n LYS 116 Ca 0.00 -0.12 0.11 0.00 -1.05 0.00 0.00 58.31 57.25 1xa9 n LYS 116 Cb 0.00 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 32.82 1xa9 n LYS 116 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xa9 n GLU 117 N -1.08 0.62 -2.54 -1.58 1.02 -1.22 -4.95 120.64 110.93 1xa9 n GLU 117 Ca 0.16 0.02 -0.19 0.00 -0.02 0.00 0.00 57.16 57.13 1xa9 n GLU 117 Cb 0.24 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1xa9 n GLU 117 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1xa9 n ASN 118 N -2.55 -5.58 -3.96 1.62 5.15 -1.12 -4.87 115.26 103.95 1xa9 n ASN 118 Ca -0.02 -0.09 -0.26 0.00 -0.60 0.00 0.00 54.58 53.61 1xa9 n ASN 118 Cb 0.57 -4.56 -0.17 0.00 -0.53 0.00 0.00 39.78 35.09 1xa9 n ASN 118 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xa9 s ILE 120 N 1.27 5.04 0.05 0.00 1.01 0.22 -0.56 121.20 128.22 1xa9 s ILE 120 Ca -0.03 1.36 0.02 0.00 0.00 0.00 0.00 60.65 61.99 1xa9 s ILE 120 Cb -0.14 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1xa9 s ILE 120 CO -0.03 0.21 0.09 -0.31 0.00 0.00 0.00 174.94 174.90 1xa9 s TYR 121 N 1.10 3.24 -0.06 3.97 1.51 -0.07 -0.87 117.35 126.18 1xa9 s TYR 121 Ca 0.35 0.13 -0.03 0.00 -1.01 0.00 0.00 57.07 56.51 1xa9 s TYR 121 Cb -0.17 -1.67 0.04 0.00 -0.11 0.00 0.00 41.96 40.05 1xa9 s TYR 121 CO 0.15 0.53 0.11 -1.01 -1.11 0.00 0.00 175.55 174.23 1xa9 s HIS 122 N -1.33 -0.07 -0.26 2.71 3.76 -0.83 -0.41 115.29 118.85 1xa9 s HIS 122 Ca 0.28 0.43 -0.03 0.00 -0.15 0.00 0.00 55.06 55.58 1xa9 s HIS 122 Cb -0.12 -0.33 0.02 0.00 1.11 0.00 0.00 32.58 33.26 1xa9 s HIS 122 CO 0.20 -0.22 -0.01 0.15 -0.85 0.00 0.00 174.74 174.01 1xa9 s LYS 123 N 2.05 2.93 0.19 1.40 -0.14 -0.11 -2.43 119.74 123.63 1xa9 s LYS 123 Ca 0.02 -0.93 0.08 0.00 -1.36 0.00 0.00 55.97 53.77 1xa9 s LYS 123 Cb -0.12 -3.11 -0.04 0.00 -1.68 0.00 0.00 37.83 32.87 1xa9 s LYS 123 CO -0.05 -0.41 -0.15 -1.54 -0.76 0.00 0.00 175.35 172.44 1xa9 s SER 124 N 1.38 2.58 -0.08 2.83 1.04 -1.01 -0.64 113.70 119.81 1xa9 s SER 124 Ca 0.01 -0.97 -0.01 0.00 0.48 0.00 0.00 55.95 55.47 1xa9 s SER 124 Cb -0.17 -0.14 0.03 0.00 0.10 0.00 0.00 66.02 65.84 1xa9 s SER 124 CO -0.02 -0.13 -0.03 0.27 0.98 0.00 0.00 173.24 174.31 1xa9 s ILE 125 N -2.69 0.56 -0.14 -1.02 -0.00 -0.95 -2.11 121.20 114.85 1xa9 s ILE 125 Ca 0.20 -0.02 0.01 0.00 -0.00 0.00 0.00 60.65 60.84 1xa9 s ILE 125 Cb -0.02 -0.66 -0.00 0.00 -0.00 0.00 0.00 42.46 41.78 1xa9 s ILE 125 CO 0.07 0.28 -0.16 0.12 -0.00 0.00 0.00 174.94 175.24 1xa9 s PHE 126 N 1.69 2.76 -0.02 1.37 5.36 -0.15 -2.27 117.98 126.72 1xa9 s PHE 126 Ca 0.02 -0.98 0.03 0.00 -0.96 0.00 0.00 56.93 55.03 1xa9 s PHE 126 Cb -0.13 -1.86 -0.00 0.00 -0.34 0.00 0.00 43.02 40.69 1xa9 s PHE 126 CO -0.05 -0.43 -0.09 -0.80 -1.46 0.00 0.00 175.22 172.39 1xa9 s ASN 127 N 0.68 1.19 0.04 6.13 0.01 -0.42 -0.97 114.94 121.59 1xa9 s ASN 127 Ca -0.08 -0.18 -0.24 0.00 -0.71 0.00 0.00 52.86 51.65 1xa9 s ASN 127 Cb -0.16 -0.25 0.06 0.00 0.41 0.00 0.00 41.25 41.31 1xa9 s ASN 127 CO 0.02 0.09 0.55 -0.83 -1.51 0.00 0.00 177.10 175.41 1xa9 s GLY 128 N 0.04 -0.46 0.28 0.66 0.00 -0.32 0.43 107.32 107.94 1xa9 s GLY 128 Ca -0.01 0.69 -0.21 0.00 0.00 0.00 0.00 44.72 45.20 1xa9 s GLY 128 CO 0.00 0.38 0.71 -3.16 0.00 0.00 0.00 173.10 171.03 1xa9 s MET 129 N -2.35 1.77 -0.82 2.90 0.23 -0.68 -0.34 119.30 120.01 1xa9 s MET 129 Ca -0.06 -1.00 -0.00 0.00 -1.03 0.00 0.00 55.69 53.60 1xa9 s MET 129 Cb -0.01 0.60 0.00 0.00 -1.53 0.00 0.00 34.83 33.90 1xa9 s MET 129 CO -0.01 -0.81 0.02 0.09 -2.03 0.00 0.00 175.02 172.28 1xa9 n ASN 130 N -0.46 -3.31 -4.49 -1.18 3.02 -1.26 -1.13 115.26 106.46 1xa9 n ASN 130 Ca -0.04 -0.02 -0.43 0.00 -0.03 0.00 0.00 54.58 54.07 1xa9 n ASN 130 Cb 0.59 -2.55 -0.04 0.00 -0.61 0.00 0.00 39.78 37.17 1xa9 n ASN 130 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1xa9 s PHE 131 N -2.51 2.68 0.13 3.10 0.40 -1.26 -2.41 117.98 118.12 1xa9 s PHE 131 Ca 0.01 -0.30 -0.35 0.00 -0.60 0.00 0.00 56.93 55.69 1xa9 s PHE 131 Cb -0.00 -4.23 -0.16 0.00 0.51 0.00 0.00 43.02 39.13 1xa9 s PHE 131 CO 0.01 -1.57 1.23 -2.30 0.70 0.00 0.00 175.22 173.29 1xa9 n PRO 132 N 7.76 1.12 -0.01 0.24 -0.02 -1.26 -4.83 135.00 137.99 1xa9 n PRO 132 Ca -0.01 0.40 0.19 0.00 -2.02 0.00 0.00 63.50 62.06 1xa9 n PRO 132 Cb 0.47 -1.96 0.66 0.00 -0.02 0.00 0.00 33.50 32.64 1xa9 n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xa9 h ALA 133 N 3.85 2.41 -0.77 3.55 0.00 -1.98 0.41 119.26 126.72 1xa9 h ALA 133 Ca -0.45 -0.02 -0.41 0.00 0.00 0.00 0.00 54.91 54.03 1xa9 h ALA 133 Cb 1.34 0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.91 1xa9 h ALA 133 CO 0.73 -0.55 0.38 -0.25 0.00 0.00 0.00 179.25 179.56 1xa9 n ASP 134 N -4.40 3.60 -4.95 0.00 8.00 -1.26 -4.48 116.55 113.05 1xa9 n ASP 134 Ca 0.10 -3.69 -0.19 0.00 0.71 0.00 0.00 54.79 51.71 1xa9 n ASP 134 Cb 0.56 -0.77 -0.01 0.00 -0.02 0.00 0.00 41.12 40.88 1xa9 n ASP 134 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xa9 s GLY 135 N -1.83 1.90 0.60 0.44 0.00 0.13 -4.95 107.32 103.62 1xa9 s GLY 135 Ca 0.53 -1.68 0.38 0.00 0.00 0.00 0.00 44.72 43.95 1xa9 s GLY 135 CO 0.06 -1.53 2.14 -0.56 0.00 0.00 0.00 173.10 173.21 1xa9 h PRO 136 N 0.86 0.00 0.00 2.90 0.13 -1.94 0.19 132.00 134.15 1xa9 h PRO 136 Ca -0.42 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.67 1xa9 h PRO 136 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1xa9 h PRO 136 CO 0.51 0.00 -0.19 0.28 -0.23 0.00 0.00 178.00 178.37 1xa9 h VAL 137 N 0.00 1.67 0.00 1.56 2.07 -1.95 0.20 116.25 119.81 1xa9 h VAL 137 Ca 0.00 -2.33 -0.08 0.00 0.82 0.00 0.00 66.70 65.11 1xa9 h VAL 137 Cb 0.31 3.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 1xa9 h VAL 137 CO 0.00 0.57 -0.39 0.24 0.02 0.00 0.00 177.57 178.01 1xa9 h MET 138 N -0.99 0.00 -0.27 1.57 2.86 -1.71 0.92 114.93 117.31 1xa9 h MET 138 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1xa9 h MET 138 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1xa9 h MET 138 CO -0.03 0.39 0.00 1.63 1.06 0.00 0.00 176.91 179.97 1xa9 n LYS 139 N -3.50 2.00 -4.00 1.72 4.76 0.67 -4.72 118.16 115.09 1xa9 n LYS 139 Ca -0.00 -1.51 -0.28 0.00 -2.87 0.00 0.00 58.31 53.65 1xa9 n LYS 139 Cb 0.54 -1.42 -0.02 0.00 -1.84 0.00 0.00 35.03 32.29 1xa9 n LYS 139 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1xa9 n LYS 140 N 0.73 -3.55 -0.81 1.97 5.02 -1.05 -4.87 118.16 115.61 1xa9 n LYS 140 Ca 0.17 0.43 0.04 0.00 -2.02 0.00 0.00 58.31 56.92 1xa9 n LYS 140 Cb 0.42 -4.77 0.34 0.00 -0.02 0.00 0.00 35.03 30.99 1xa9 n LYS 140 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1xa9 n MET 141 N -4.42 4.23 -4.16 1.97 2.81 0.03 -4.95 117.12 112.64 1xa9 n MET 141 Ca -0.19 -2.74 -0.31 0.00 -1.81 0.00 0.00 57.70 52.65 1xa9 n MET 141 Cb 0.63 -2.16 -0.08 0.00 -0.71 0.00 0.00 33.22 30.90 1xa9 n MET 141 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1xa9 s THR 142 N -2.56 4.05 -0.10 2.03 -4.23 -1.25 -0.29 115.64 113.29 1xa9 s THR 142 Ca 0.48 -0.91 -0.10 0.00 -1.18 0.00 0.00 61.69 59.98 1xa9 s THR 142 Cb 0.37 -2.90 -0.05 0.00 1.34 0.00 0.00 72.50 71.26 1xa9 s THR 142 CO 0.13 0.17 -0.21 0.35 -0.54 0.00 0.00 174.62 174.52 1xa9 n THR 143 N 0.73 1.23 -3.88 3.99 -2.24 -0.32 -4.80 114.28 108.99 1xa9 n THR 143 Ca -0.11 0.09 -0.07 0.00 -2.27 0.00 0.00 64.05 61.68 1xa9 n THR 143 Cb 0.52 -1.94 -0.03 0.00 -2.10 0.00 0.00 70.33 66.79 1xa9 n THR 143 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1xa9 s ASN 144 N -6.13 -0.23 0.17 3.42 0.01 -1.25 -4.71 114.94 106.21 1xa9 s ASN 144 Ca -0.19 -0.67 -0.13 0.00 -0.71 0.00 0.00 52.86 51.17 1xa9 s ASN 144 Cb 0.05 0.70 -0.07 0.00 0.41 0.00 0.00 41.25 42.34 1xa9 s ASN 144 CO 0.27 -1.30 0.54 0.26 -1.51 0.00 0.00 177.10 175.35 1xa9 s TRP 145 N -3.94 3.55 0.45 2.20 0.52 -1.26 0.17 118.94 120.62 1xa9 s TRP 145 Ca 0.13 0.98 -0.20 0.00 0.02 0.00 0.00 56.10 57.03 1xa9 s TRP 145 Cb -0.05 -2.32 -0.10 0.00 -1.15 0.00 0.00 33.47 29.85 1xa9 s TRP 145 CO 0.07 0.38 0.96 -2.00 0.02 0.00 0.00 176.95 176.39 1xa9 s GLU 146 N -2.23 4.15 0.78 4.98 2.12 0.10 -4.78 118.70 123.82 1xa9 s GLU 146 Ca 0.40 1.12 -0.14 0.00 0.36 0.00 0.00 54.97 56.72 1xa9 s GLU 146 Cb -0.14 -2.17 0.06 0.00 0.26 0.00 0.00 34.13 32.15 1xa9 s GLU 146 CO 0.20 -0.10 1.23 0.00 -0.54 0.00 0.00 175.26 176.04 1xa9 s ALA 147 N -2.22 1.94 0.34 6.30 0.00 -1.26 -4.70 121.76 122.17 1xa9 s ALA 147 Ca 0.62 0.93 0.05 0.00 0.00 0.00 0.00 51.96 53.56 1xa9 s ALA 147 Cb -0.10 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 1xa9 s ALA 147 CO 0.16 -2.17 0.33 -1.54 0.00 0.00 0.00 175.76 172.55 1xa9 s SER 148 N -1.99 1.56 -0.15 0.00 1.04 -0.49 -4.97 113.70 108.70 1xa9 s SER 148 Ca 0.75 -1.72 -0.03 0.00 0.48 0.00 0.00 55.95 55.44 1xa9 s SER 148 Cb -0.31 0.59 0.05 0.00 0.10 0.00 0.00 66.02 66.45 1xa9 s SER 148 CO 0.48 -1.13 0.03 0.00 0.98 0.00 0.00 173.24 173.60 1xa9 s GLU 150 N 1.91 3.38 -0.24 0.00 2.12 0.35 -4.77 118.70 121.45 1xa9 s GLU 150 Ca 0.01 -0.24 -0.13 0.00 0.36 0.00 0.00 54.97 54.96 1xa9 s GLU 150 Cb -0.15 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 1xa9 s GLU 150 CO -0.07 0.73 0.29 0.21 -0.54 0.00 0.00 175.26 175.88 1xa9 s LYS 151 N -1.41 4.08 -0.22 4.30 2.20 -0.67 -0.69 119.74 127.33 1xa9 s LYS 151 Ca 0.20 -0.04 -0.05 0.00 -0.36 0.00 0.00 55.97 55.72 1xa9 s LYS 151 Cb -0.12 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.60 1xa9 s LYS 151 CO 0.10 -0.09 -0.02 0.42 -0.36 0.00 0.00 175.35 175.41 1xa9 s ILE 152 N 1.48 3.61 -0.02 5.43 -1.09 0.84 -0.99 121.20 130.46 1xa9 s ILE 152 Ca 0.13 -0.41 0.01 0.00 -2.23 0.00 0.00 60.65 58.15 1xa9 s ILE 152 Cb -0.15 -2.65 0.01 0.00 -1.58 0.00 0.00 42.46 38.10 1xa9 s ILE 152 CO 0.08 0.41 -0.03 0.00 -1.23 0.00 0.00 174.94 174.17 1xa9 s MET 153 N 1.40 0.47 0.41 2.79 0.23 0.79 -0.22 119.30 125.17 1xa9 s MET 153 Ca 0.05 -0.07 -0.26 0.00 -1.03 0.00 0.00 55.69 54.37 1xa9 s MET 153 Cb -0.14 -0.53 -0.09 0.00 -1.53 0.00 0.00 34.83 32.54 1xa9 s MET 153 CO -0.01 -0.02 1.34 -1.25 -2.03 0.00 0.00 175.02 173.05 1xa9 s PRO 154 N 0.51 3.94 -0.33 3.16 0.04 -1.26 0.29 135.00 141.36 1xa9 s PRO 154 Ca -0.06 2.24 -0.10 0.00 0.04 0.00 0.00 61.00 63.13 1xa9 s PRO 154 Cb -0.09 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.68 1xa9 s PRO 154 CO -0.01 -0.55 0.17 0.08 0.04 0.00 0.00 177.00 176.73 1xa9 s VAL 155 N -1.23 4.60 0.14 -0.36 1.01 0.13 -4.84 120.40 119.84 1xa9 s VAL 155 Ca 0.57 -0.52 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 1xa9 s VAL 155 Cb -0.40 -3.40 -0.10 0.00 0.00 0.00 0.00 36.38 32.48 1xa9 s VAL 155 CO 0.52 -0.01 1.69 -2.16 0.00 0.00 0.00 175.10 175.14 1xa9 s PRO 156 N 1.60 4.17 -0.16 2.72 0.04 -1.26 -2.24 135.00 139.87 1xa9 s PRO 156 Ca 0.04 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1xa9 s PRO 156 Cb -0.18 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1xa9 s PRO 156 CO 0.06 -0.73 0.00 1.63 0.04 0.00 0.00 177.00 178.00 1xa9 n LYS 157 N 4.79 -0.52 0.00 4.56 5.02 -1.26 -4.83 118.16 125.92 1xa9 n LYS 157 Ca 0.16 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1xa9 n LYS 157 Cb 0.38 -3.80 0.00 0.00 -0.02 0.00 0.00 35.03 31.59 1xa9 n LYS 157 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1xa9 n GLN 158 N -2.13 2.59 -1.24 1.97 6.02 -0.95 -5.03 117.38 118.62 1xa9 n GLN 158 Ca -0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.89 1xa9 n GLN 158 Cb 0.15 -0.75 -0.04 0.00 1.02 0.00 0.00 30.24 30.63 1xa9 n GLN 158 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xa9 n GLY 159 N 1.40 1.01 3.46 1.08 0.00 -1.16 -5.02 105.19 105.97 1xa9 n GLY 159 Ca 0.00 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 1xa9 n GLY 159 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xa9 s ILE 160 N -2.29 1.58 -0.01 -0.61 -4.36 -1.26 -4.38 121.20 109.87 1xa9 s ILE 160 Ca 0.00 -2.08 0.05 0.00 -0.26 0.00 0.00 60.65 58.37 1xa9 s ILE 160 Cb 0.00 -2.63 -0.03 0.00 1.25 0.00 0.00 42.46 41.06 1xa9 s ILE 160 CO 0.00 -0.17 -0.16 -0.76 0.24 0.00 0.00 174.94 174.08 1xa9 s LEU 161 N -3.50 2.64 -0.09 0.37 1.02 0.88 0.17 118.68 120.17 1xa9 s LEU 161 Ca 0.32 -0.31 -0.01 0.00 0.02 0.00 0.00 54.13 54.16 1xa9 s LEU 161 Cb 0.06 -1.53 -0.03 0.00 0.02 0.00 0.00 46.19 44.71 1xa9 s LEU 161 CO 0.14 0.31 -0.05 -0.54 0.02 0.00 0.00 176.35 176.23 1xa9 s LYS 162 N -1.01 2.99 -0.04 1.70 -0.14 0.15 0.11 119.74 123.49 1xa9 s LYS 162 Ca 0.13 -0.52 0.05 0.00 -1.36 0.00 0.00 55.97 54.27 1xa9 s LYS 162 Cb -0.11 -2.69 -0.02 0.00 -1.68 0.00 0.00 37.83 33.33 1xa9 s LYS 162 CO 0.02 0.58 -0.18 0.20 -0.76 0.00 0.00 175.35 175.22 1xa9 s GLY 163 N -0.57 1.46 -0.08 -3.33 0.00 -0.17 -0.15 107.32 104.48 1xa9 s GLY 163 Ca 0.09 -1.02 -0.03 0.00 0.00 0.00 0.00 44.72 43.76 1xa9 s GLY 163 CO 0.02 -0.79 0.07 -0.35 0.00 0.00 0.00 173.10 172.05 1xa9 s ASP 164 N -0.65 1.53 -0.12 1.64 3.68 -0.16 -1.74 116.67 120.85 1xa9 s ASP 164 Ca 0.10 -0.14 -0.06 0.00 2.13 0.00 0.00 52.55 54.58 1xa9 s ASP 164 Cb -0.11 -0.19 0.05 0.00 -1.45 0.00 0.00 42.92 41.22 1xa9 s ASP 164 CO 0.00 -0.28 0.28 0.54 0.13 0.00 0.00 175.17 175.85 1xa9 s VAL 165 N 2.15 -0.04 -0.41 1.11 0.11 -0.69 -1.68 120.40 120.95 1xa9 s VAL 165 Ca 0.04 0.13 -0.20 0.00 -2.93 0.00 0.00 61.98 59.02 1xa9 s VAL 165 Cb -0.13 -0.43 0.02 0.00 -1.53 0.00 0.00 36.38 34.30 1xa9 s VAL 165 CO -0.05 0.05 0.60 -0.55 -3.33 0.00 0.00 175.10 171.82 1xa9 s SER 166 N 1.25 6.32 0.16 3.54 0.15 -1.26 -0.33 113.70 123.53 1xa9 s SER 166 Ca -0.09 -0.26 0.05 0.00 0.70 0.00 0.00 55.95 56.35 1xa9 s SER 166 Cb -0.10 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 1xa9 s SER 166 CO -0.09 -0.68 0.15 -0.04 1.20 0.00 0.00 173.24 173.77 1xa9 s MET 167 N 2.65 2.95 -0.07 5.44 -1.94 -0.30 -4.93 119.30 123.11 1xa9 s MET 167 Ca 0.21 -0.84 0.00 0.00 -1.71 0.00 0.00 55.69 53.36 1xa9 s MET 167 Cb -0.15 -2.68 0.02 0.00 2.01 0.00 0.00 34.83 34.04 1xa9 s MET 167 CO 0.17 0.49 -0.06 0.71 -0.01 0.00 0.00 175.02 176.32 1xa9 s TYR 168 N -1.73 1.03 -0.12 -0.03 1.51 -1.26 -1.49 117.35 115.26 1xa9 s TYR 168 Ca 0.31 -0.38 -0.16 0.00 -1.01 0.00 0.00 57.07 55.83 1xa9 s TYR 168 Cb -0.10 -0.90 -0.05 0.00 -0.11 0.00 0.00 41.96 40.80 1xa9 s TYR 168 CO 0.24 -0.31 0.39 -1.17 -1.11 0.00 0.00 175.55 173.58 1xa9 s LEU 169 N 1.30 4.29 0.10 -1.29 2.96 0.10 0.02 118.68 126.15 1xa9 s LEU 169 Ca -0.04 0.70 -0.29 0.00 -0.22 0.00 0.00 54.13 54.28 1xa9 s LEU 169 Cb -0.14 -2.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.95 1xa9 s LEU 169 CO -0.02 0.08 0.93 -0.76 -1.32 0.00 0.00 176.35 175.26 1xa9 s LEU 170 N 0.34 4.49 -0.05 -0.68 1.43 0.44 -1.07 118.68 123.59 1xa9 s LEU 170 Ca 0.22 1.73 -0.19 0.00 -1.03 0.00 0.00 54.13 54.86 1xa9 s LEU 170 Cb -0.14 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 1xa9 s LEU 170 CO 0.08 -0.06 0.55 -0.76 0.23 0.00 0.00 176.35 176.39 1xa9 s LEU 171 N 0.01 4.36 0.22 1.79 1.43 0.04 -1.18 118.68 125.37 1xa9 s LEU 171 Ca 0.46 1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 54.44 1xa9 s LEU 171 Cb -0.23 -2.83 0.26 0.00 0.03 0.00 0.00 46.19 43.43 1xa9 s LEU 171 CO 0.29 0.07 1.59 0.11 0.23 0.00 0.00 176.35 178.63 1xa9 h LYS 172 N 6.04 -0.04 -1.13 1.70 1.57 -0.96 0.93 116.57 124.68 1xa9 h LYS 172 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1xa9 h LYS 172 Cb 1.19 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1xa9 h LYS 172 CO 0.71 -0.03 0.00 -0.40 -0.57 0.00 0.00 179.45 179.17 1xa9 n ASP 173 N -5.49 1.66 -0.90 0.86 5.75 -1.26 -4.93 116.55 112.23 1xa9 n ASP 173 Ca 0.09 -1.38 0.06 0.00 -0.01 0.00 0.00 54.79 53.55 1xa9 n ASP 173 Cb 0.39 -0.34 -0.03 0.00 -1.03 0.00 0.00 41.12 40.10 1xa9 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xa9 n GLY 174 N 0.51 -3.31 0.00 6.12 0.00 0.32 -5.07 105.19 103.77 1xa9 n GLY 174 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1xa9 n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xa9 n GLY 175 N -2.85 1.19 3.83 -0.02 0.00 -1.26 -4.49 105.19 101.59 1xa9 n GLY 175 Ca -0.03 -1.86 -0.23 0.00 0.00 0.00 0.00 46.02 43.90 1xa9 n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xa9 s ARG 176 N -2.61 2.98 -0.11 1.61 0.52 -1.26 -0.78 118.95 119.30 1xa9 s ARG 176 Ca 0.00 -0.98 -0.02 0.00 -0.52 0.00 0.00 55.73 54.21 1xa9 s ARG 176 Cb 0.00 -2.62 0.04 0.00 0.52 0.00 0.00 34.95 32.89 1xa9 s ARG 176 CO 0.00 0.42 0.03 -0.47 0.02 0.00 0.00 175.30 175.31 1xa9 s TYR 177 N -2.03 0.56 0.08 -0.53 5.04 -0.23 -4.89 117.35 115.36 1xa9 s TYR 177 Ca 0.33 -0.27 -0.19 0.00 -2.44 0.00 0.00 57.07 54.50 1xa9 s TYR 177 Cb -0.09 -0.77 -0.07 0.00 0.35 0.00 0.00 41.96 41.38 1xa9 s TYR 177 CO 0.25 -0.40 0.58 0.50 -1.34 0.00 0.00 175.55 175.14 1xa9 s ARG 178 N 2.01 4.20 -0.03 4.97 3.52 -1.26 0.02 118.95 132.38 1xa9 s ARG 178 Ca 0.03 0.74 -0.01 0.00 -0.13 0.00 0.00 55.73 56.36 1xa9 s ARG 178 Cb -0.14 -3.22 0.03 0.00 -1.56 0.00 0.00 34.95 30.07 1xa9 s ARG 178 CO -0.06 0.63 0.06 0.00 -0.81 0.00 0.00 175.30 175.12 1xa9 s GLN 180 N 1.46 4.15 -0.15 0.00 2.00 0.96 -1.14 119.66 126.94 1xa9 s GLN 180 Ca -0.04 0.11 -0.07 0.00 -2.00 0.00 0.00 55.36 53.35 1xa9 s GLN 180 Cb -0.12 -3.54 -0.04 0.00 0.80 0.00 0.00 33.01 30.11 1xa9 s GLN 180 CO -0.04 -0.02 0.09 -0.06 -0.50 0.00 0.00 175.29 174.76 1xa9 s PHE 181 N 1.26 3.37 -0.17 1.67 0.40 0.55 -1.28 117.98 123.78 1xa9 s PHE 181 Ca 0.17 0.27 -0.04 0.00 -0.60 0.00 0.00 56.93 56.73 1xa9 s PHE 181 Cb -0.14 -2.00 0.07 0.00 0.51 0.00 0.00 43.02 41.46 1xa9 s PHE 181 CO 0.07 0.41 0.15 -0.51 0.70 0.00 0.00 175.22 176.04 1xa9 s ASP 182 N -0.28 1.72 0.13 1.36 1.11 -1.18 -1.71 116.67 117.83 1xa9 s ASP 182 Ca 0.09 -0.32 0.10 0.00 0.18 0.00 0.00 52.55 52.59 1xa9 s ASP 182 Cb -0.12 0.08 -0.04 0.00 1.07 0.00 0.00 42.92 43.91 1xa9 s ASP 182 CO 0.01 -0.33 -0.19 -0.89 1.18 0.00 0.00 175.17 174.95 1xa9 s THR 183 N 2.24 2.73 -0.20 -1.27 2.01 -0.71 -1.88 115.64 118.56 1xa9 s THR 183 Ca 0.04 -1.61 0.00 0.00 0.31 0.00 0.00 61.69 60.43 1xa9 s THR 183 Cb -0.15 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.11 1xa9 s THR 183 CO -0.10 0.06 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.04 1xa9 s VAL 184 N -1.24 2.30 -0.22 3.82 1.01 0.02 -1.00 120.40 125.09 1xa9 s VAL 184 Ca 0.18 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 1xa9 s VAL 184 Cb -0.10 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1xa9 s VAL 184 CO 0.10 0.44 0.05 -0.31 0.00 0.00 0.00 175.10 175.38 1xa9 s TYR 185 N 1.30 3.11 -0.26 5.22 1.51 0.31 -1.88 117.35 126.65 1xa9 s TYR 185 Ca 0.03 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 1xa9 s TYR 185 Cb -0.14 -2.16 0.07 0.00 -0.11 0.00 0.00 41.96 39.63 1xa9 s TYR 185 CO -0.10 -0.18 -0.01 0.15 -1.11 0.00 0.00 175.55 174.29 1xa9 s LYS 186 N 1.12 1.47 0.46 -0.62 1.02 -0.42 -0.08 119.74 122.69 1xa9 s LYS 186 Ca 0.04 -1.15 -0.24 0.00 0.02 0.00 0.00 55.97 54.65 1xa9 s LYS 186 Cb -0.14 -2.60 -0.07 0.00 -0.52 0.00 0.00 37.83 34.49 1xa9 s LYS 186 CO 0.03 -0.71 1.27 0.00 -0.92 0.00 0.00 175.35 175.02 1xa9 s ALA 187 N 1.35 3.04 -0.86 5.17 0.00 -1.26 -1.80 121.76 127.39 1xa9 s ALA 187 Ca -0.01 1.17 0.10 0.00 0.00 0.00 0.00 51.96 53.22 1xa9 s ALA 187 Cb -0.19 -3.48 0.47 0.00 0.00 0.00 0.00 23.12 19.93 1xa9 s ALA 187 CO -0.09 -0.93 1.33 1.63 0.00 0.00 0.00 175.76 177.70 1xa9 n LYS 188 N -0.41 0.03 -3.86 0.00 5.02 -1.16 -4.69 118.16 113.10 1xa9 n LYS 188 Ca 0.07 0.41 -0.11 0.00 -2.02 0.00 0.00 58.31 56.65 1xa9 n LYS 188 Cb 0.45 -1.59 -0.11 0.00 -0.02 0.00 0.00 35.03 33.77 1xa9 n LYS 188 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1xa9 s SER 189 N -3.24 -0.02 -0.12 4.39 0.15 -1.26 -5.11 113.70 108.49 1xa9 s SER 189 Ca 0.03 -0.07 -0.29 0.00 0.70 0.00 0.00 55.95 56.32 1xa9 s SER 189 Cb 0.05 0.24 -0.06 0.00 -1.71 0.00 0.00 66.02 64.54 1xa9 s SER 189 CO 0.17 -0.29 2.00 -0.69 1.20 0.00 0.00 173.24 175.63 1xa9 s VAL 190 N -0.99 3.15 0.43 4.45 1.01 -1.26 -4.93 120.40 122.25 1xa9 s VAL 190 Ca -0.11 0.17 -0.23 0.00 0.00 0.00 0.00 61.98 61.81 1xa9 s VAL 190 Cb -0.06 -3.15 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 1xa9 s VAL 190 CO 0.01 -0.06 1.08 -2.16 0.00 0.00 0.00 175.10 173.97 1xa9 s PRO 191 N 5.27 4.00 0.23 2.72 0.04 -1.26 -4.91 135.00 141.09 1xa9 s PRO 191 Ca 0.90 1.56 0.06 0.00 0.04 0.00 0.00 61.00 63.55 1xa9 s PRO 191 Cb -0.35 -2.44 0.20 0.00 0.04 0.00 0.00 34.50 31.95 1xa9 s PRO 191 CO 0.37 -0.29 1.52 0.66 0.04 0.00 0.00 177.00 179.30 1xa9 h SER 192 N 2.24 0.19 -3.01 6.66 4.64 -1.98 -3.44 113.55 118.85 1xa9 h SER 192 Ca -0.49 -0.12 -0.61 0.00 -0.47 0.00 0.00 61.79 60.10 1xa9 h SER 192 Cb 1.22 -0.06 -0.11 0.00 -0.31 0.00 0.00 62.40 63.15 1xa9 h SER 192 CO 0.61 0.81 -0.64 -0.54 -0.87 0.00 0.00 176.83 176.20 1xa9 s LYS 193 N -3.57 2.55 -0.08 4.77 -0.14 -1.26 -5.13 119.74 116.89 1xa9 s LYS 193 Ca -0.03 -0.97 -0.03 0.00 -1.36 0.00 0.00 55.97 53.58 1xa9 s LYS 193 Cb 0.12 -2.48 0.04 0.00 -1.68 0.00 0.00 37.83 33.83 1xa9 s LYS 193 CO 0.80 0.49 0.17 -1.64 -0.76 0.00 0.00 175.35 174.41 1xa9 s MET 194 N -2.75 0.10 0.80 1.68 -1.94 -1.26 -4.99 119.30 110.94 1xa9 s MET 194 Ca 0.28 0.46 -0.11 0.00 -1.71 0.00 0.00 55.69 54.60 1xa9 s MET 194 Cb -0.10 -0.18 0.07 0.00 2.01 0.00 0.00 34.83 36.63 1xa9 s MET 194 CO 0.19 -0.20 1.12 -1.25 -0.01 0.00 0.00 175.02 174.88 1xa9 s PRO 195 N 1.50 1.94 0.60 2.03 0.04 -1.26 -4.89 135.00 134.96 1xa9 s PRO 195 Ca -0.06 1.38 -0.05 0.00 0.04 0.00 0.00 61.00 62.30 1xa9 s PRO 195 Cb -0.11 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.60 1xa9 s PRO 195 CO -0.07 -1.91 0.90 -1.21 0.04 0.00 0.00 177.00 174.75 1xa9 s GLU 196 N -4.62 2.73 0.50 4.56 2.02 -1.26 -4.55 118.70 118.08 1xa9 s GLU 196 Ca 0.65 -0.16 -0.23 0.00 0.02 0.00 0.00 54.97 55.24 1xa9 s GLU 196 Cb -0.21 -2.29 -0.06 0.00 0.10 0.00 0.00 34.13 31.68 1xa9 s GLU 196 CO 0.54 -0.80 1.37 1.67 0.02 0.00 0.00 175.26 178.06 1xa9 s TRP 197 N -3.00 2.40 0.03 1.61 1.48 -1.26 -4.78 118.94 115.42 1xa9 s TRP 197 Ca 0.55 1.34 -0.00 0.00 -1.06 0.00 0.00 56.10 56.93 1xa9 s TRP 197 Cb -0.11 -3.82 0.00 0.00 -1.16 0.00 0.00 33.47 28.39 1xa9 s TRP 197 CO 0.44 -2.81 0.05 -2.39 -4.06 0.00 0.00 176.95 168.18 1xa9 n HIS 198 N -0.65 -0.65 -4.38 1.66 1.44 0.70 -4.85 115.22 108.48 1xa9 n HIS 198 Ca 0.08 -0.19 -0.28 0.00 -2.01 0.00 0.00 57.72 55.32 1xa9 n HIS 198 Cb 0.44 0.05 -0.12 0.00 0.12 0.00 0.00 29.99 30.48 1xa9 n HIS 198 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xa9 s PHE 199 N -5.62 2.37 -0.07 -1.40 2.99 0.73 -0.11 117.98 116.87 1xa9 s PHE 199 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 56.93 56.62 1xa9 s PHE 199 Cb -0.00 -1.23 0.02 0.00 0.00 0.00 0.00 43.02 41.81 1xa9 s PHE 199 CO 0.02 0.42 -0.06 0.42 -0.00 0.00 0.00 175.22 176.02 1xa9 s ILE 200 N -1.35 0.76 -0.13 0.64 1.01 0.14 0.18 121.20 122.45 1xa9 s ILE 200 Ca 0.18 -0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 1xa9 s ILE 200 Cb -0.09 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 1xa9 s ILE 200 CO 0.09 0.30 0.07 -1.10 0.00 0.00 0.00 174.94 174.30 1xa9 s GLN 201 N 1.31 3.48 0.20 2.79 -0.21 -0.35 0.13 119.66 127.01 1xa9 s GLN 201 Ca -0.04 -0.28 0.10 0.00 0.02 0.00 0.00 55.36 55.16 1xa9 s GLN 201 Cb -0.14 -3.08 -0.04 0.00 1.00 0.00 0.00 33.01 30.75 1xa9 s GLN 201 CO -0.03 0.59 -0.21 -1.01 -2.12 0.00 0.00 175.29 172.51 1xa9 s HIS 202 N -0.53 2.11 -0.39 0.91 3.76 0.22 -1.13 115.29 120.24 1xa9 s HIS 202 Ca 0.11 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.65 1xa9 s HIS 202 Cb -0.12 -1.02 0.16 0.00 1.11 0.00 0.00 32.58 32.71 1xa9 s HIS 202 CO 0.02 0.47 0.36 0.21 -0.85 0.00 0.00 174.74 174.95 1xa9 s LYS 203 N -2.88 0.72 -0.19 1.40 2.20 -0.51 -1.40 119.74 119.09 1xa9 s LYS 203 Ca 0.20 -1.28 -0.14 0.00 -0.36 0.00 0.00 55.97 54.39 1xa9 s LYS 203 Cb -0.06 -0.95 -0.04 0.00 -1.51 0.00 0.00 37.83 35.26 1xa9 s LYS 203 CO 0.09 -1.26 0.32 -1.17 -0.36 0.00 0.00 175.35 172.98 1xa9 s LEU 204 N 0.97 4.18 0.12 5.43 0.20 -1.26 -2.64 118.68 125.69 1xa9 s LEU 204 Ca 0.22 0.45 0.07 0.00 0.69 0.00 0.00 54.13 55.56 1xa9 s LEU 204 Cb -0.11 -2.40 -0.04 0.00 -0.43 0.00 0.00 46.19 43.21 1xa9 s LEU 204 CO -0.06 0.01 -0.16 -0.76 -0.29 0.00 0.00 176.35 175.09 1xa9 s LEU 205 N 0.96 2.38 0.02 -0.68 1.43 -0.84 -4.35 118.68 117.60 1xa9 s LEU 205 Ca 0.16 -0.78 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 1xa9 s LEU 205 Cb -0.14 -0.67 -0.02 0.00 0.03 0.00 0.00 46.19 45.39 1xa9 s LEU 205 CO 0.06 -0.07 -0.11 -0.60 0.23 0.00 0.00 176.35 175.86 1xa9 s ARG 206 N -2.44 0.76 -0.18 1.70 3.52 -1.26 -2.05 118.95 118.99 1xa9 s ARG 206 Ca 0.09 -0.58 -0.05 0.00 -0.13 0.00 0.00 55.73 55.06 1xa9 s ARG 206 Cb -0.07 -0.71 0.07 0.00 -1.56 0.00 0.00 34.95 32.68 1xa9 s ARG 206 CO 0.04 0.18 0.13 -1.83 -0.81 0.00 0.00 175.30 173.01 1xa9 s GLU 207 N -0.85 0.10 0.70 5.12 -1.05 -0.56 -4.98 118.70 117.18 1xa9 s GLU 207 Ca 0.00 0.01 -0.15 0.00 -0.15 0.00 0.00 54.97 54.67 1xa9 s GLU 207 Cb -0.06 -1.63 0.02 0.00 -0.44 0.00 0.00 34.13 32.02 1xa9 s GLU 207 CO 0.00 -0.67 1.19 0.34 0.95 0.00 0.00 175.26 177.08 1xa9 s ASP 208 N 2.20 4.47 0.00 0.83 -1.08 -1.26 -1.03 116.67 120.80 1xa9 s ASP 208 Ca 0.04 2.30 0.03 0.00 -0.52 0.00 0.00 52.55 54.39 1xa9 s ASP 208 Cb -0.16 -2.58 0.04 0.00 -1.46 0.00 0.00 42.92 38.76 1xa9 s ASP 208 CO -0.10 -2.07 0.85 0.54 0.52 0.00 0.00 175.17 174.90 1xa9 n ARG 209 N -2.54 0.00 -1.01 4.34 3.00 -0.07 -4.81 116.66 115.57 1xa9 n ARG 209 Ca 0.13 -0.76 -0.32 0.00 -0.01 0.00 0.00 57.85 56.89 1xa9 n ARG 209 Cb 0.50 -0.20 0.13 0.00 0.00 0.00 0.00 32.46 32.89 1xa9 n ARG 209 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1xa9 s SER 210 N -0.76 3.61 0.02 0.55 0.01 -0.48 -4.47 113.70 112.18 1xa9 s SER 210 Ca 0.04 2.14 -0.00 0.00 1.31 0.00 0.00 55.95 59.43 1xa9 s SER 210 Cb 0.04 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 1xa9 s SER 210 CO -0.02 -2.64 -0.02 1.51 0.41 0.00 0.00 173.24 172.48 1xa9 s ASP 211 N -2.70 0.22 0.00 2.44 3.84 -0.26 -4.89 116.67 115.32 1xa9 s ASP 211 Ca 0.67 -0.46 0.00 0.00 -0.00 0.00 0.00 52.55 52.76 1xa9 s ASP 211 Cb -0.23 0.10 0.00 0.00 -1.38 0.00 0.00 42.92 41.41 1xa9 s ASP 211 CO 0.54 -0.29 0.00 0.00 -0.00 0.00 0.00 175.17 175.43 1xa9 n ALA 212 N 1.67 0.69 -0.73 2.11 0.00 -1.26 0.21 120.51 123.20 1xa9 n ALA 212 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1xa9 n ALA 212 Cb 0.55 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1xa9 n ALA 212 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xa9 n LYS 213 N 0.04 -0.01 0.00 0.00 3.00 -1.26 -5.08 118.16 114.85 1xa9 n LYS 213 Ca 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 58.31 58.02 1xa9 n LYS 213 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 35.03 34.40 1xa9 n LYS 213 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1xa9 n ASN 214 N -0.03 0.00 -4.51 3.14 3.02 0.13 -5.11 115.26 111.91 1xa9 n ASN 214 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1xa9 n ASN 214 Cb 0.24 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.36 1xa9 n ASN 214 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1xa9 s GLN 215 N -0.09 3.27 0.10 3.52 0.74 -1.26 -1.10 119.66 124.84 1xa9 s GLN 215 Ca 0.00 -0.43 0.03 0.00 0.05 0.00 0.00 55.36 55.02 1xa9 s GLN 215 Cb 0.00 -4.01 -0.04 0.00 1.10 0.00 0.00 33.01 30.07 1xa9 s GLN 215 CO 0.00 -1.18 -0.09 -1.59 -0.55 0.00 0.00 175.29 171.88 1xa9 s LYS 216 N 3.09 0.86 0.12 1.67 -2.85 -1.26 -1.47 119.74 119.90 1xa9 s LYS 216 Ca 0.24 -1.23 -0.25 0.00 -1.00 0.00 0.00 55.97 53.72 1xa9 s LYS 216 Cb -0.15 -0.46 0.07 0.00 -2.06 0.00 0.00 37.83 35.24 1xa9 s LYS 216 CO 0.18 0.05 0.80 1.67 0.10 0.00 0.00 175.35 178.15 1xa9 s TRP 217 N -2.83 -0.33 -0.00 1.78 -2.14 0.12 -0.89 118.94 114.64 1xa9 s TRP 217 Ca 0.08 0.09 0.07 0.00 2.66 0.00 0.00 56.10 59.00 1xa9 s TRP 217 Cb -0.00 0.59 -0.03 0.00 -3.10 0.00 0.00 33.47 30.93 1xa9 s TRP 217 CO -0.01 -0.79 -0.22 -1.14 -2.66 0.00 0.00 176.95 172.13 1xa9 s GLN 218 N -3.45 2.14 0.12 3.25 0.74 -0.20 0.53 119.66 122.80 1xa9 s GLN 218 Ca 0.06 -0.92 0.08 0.00 0.05 0.00 0.00 55.36 54.64 1xa9 s GLN 218 Cb -0.02 -2.14 -0.04 0.00 1.10 0.00 0.00 33.01 31.92 1xa9 s GLN 218 CO -0.05 0.56 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.54 1xa9 s LEU 219 N -0.91 2.35 0.03 3.68 1.43 0.24 -1.50 118.68 123.99 1xa9 s LEU 219 Ca 0.12 -0.74 0.02 0.00 -1.03 0.00 0.00 54.13 52.49 1xa9 s LEU 219 Cb -0.10 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 1xa9 s LEU 219 CO 0.01 0.02 -0.06 0.28 0.23 0.00 0.00 176.35 176.82 1xa9 s THR 220 N -1.49 0.44 -0.12 5.49 -1.32 -0.87 -0.77 115.64 116.99 1xa9 s THR 220 Ca 0.09 -0.79 -0.12 0.00 -1.21 0.00 0.00 61.69 59.66 1xa9 s THR 220 Cb -0.08 -0.48 0.03 0.00 -1.51 0.00 0.00 72.50 70.46 1xa9 s THR 220 CO 0.05 -0.25 0.35 -0.70 -2.21 0.00 0.00 174.62 171.86 1xa9 s GLU 221 N -1.12 0.43 -0.08 7.08 2.12 -0.06 -1.99 118.70 125.08 1xa9 s GLU 221 Ca -0.07 0.45 -0.01 0.00 0.36 0.00 0.00 54.97 55.70 1xa9 s GLU 221 Cb -0.07 0.21 0.03 0.00 0.26 0.00 0.00 34.13 34.55 1xa9 s GLU 221 CO 0.00 -0.06 -0.03 -1.58 -0.54 0.00 0.00 175.26 173.05 1xa9 s HIS 222 N 0.09 0.96 -0.01 5.30 5.65 -1.08 -0.75 115.29 125.45 1xa9 s HIS 222 Ca -0.01 -0.36 -0.00 0.00 0.25 0.00 0.00 55.06 54.93 1xa9 s HIS 222 Cb -0.03 -0.93 0.01 0.00 -1.18 0.00 0.00 32.58 30.45 1xa9 s HIS 222 CO 0.01 -0.37 0.02 0.00 -0.65 0.00 0.00 174.74 173.75 1xa9 s ALA 223 N 1.71 -0.01 -0.07 1.58 0.00 0.58 -1.42 121.76 124.13 1xa9 s ALA 223 Ca 0.02 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.11 1xa9 s ALA 223 Cb -0.13 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1xa9 s ALA 223 CO -0.05 -0.03 -0.09 0.42 0.00 0.00 0.00 175.76 176.01 1xa9 s ILE 224 N 0.27 0.92 0.11 0.00 1.01 -0.29 -2.03 121.20 121.20 1xa9 s ILE 224 Ca -0.02 -0.32 -0.26 0.00 0.00 0.00 0.00 60.65 60.05 1xa9 s ILE 224 Cb -0.03 -0.89 -0.07 0.00 0.01 0.00 0.00 42.46 41.48 1xa9 s ILE 224 CO -0.01 0.32 0.82 0.00 0.00 0.00 0.00 174.94 176.07 1xa9 s ALA 225 N 1.03 3.37 0.15 9.38 0.00 -0.45 -1.21 121.76 134.03 1xa9 s ALA 225 Ca -0.08 0.38 -0.01 0.00 0.00 0.00 0.00 51.96 52.25 1xa9 s ALA 225 Cb -0.15 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 1xa9 s ALA 225 CO -0.00 0.14 0.06 -0.06 0.00 0.00 0.00 175.76 175.89 1xa9 s PHE 226 N -0.49 0.95 0.33 0.00 0.40 0.13 -4.46 117.98 114.84 1xa9 s PHE 226 Ca 0.39 -1.22 0.07 0.00 -0.60 0.00 0.00 56.93 55.57 1xa9 s PHE 226 Cb -0.22 -0.53 -0.01 0.00 0.51 0.00 0.00 43.02 42.77 1xa9 s PHE 226 CO 0.26 -0.49 0.44 -1.25 0.70 0.00 0.00 175.22 174.88 1xa9 s PRO 227 N -4.04 3.06 0.27 0.24 0.04 -1.26 -0.19 135.00 133.12 1xa9 s PRO 227 Ca 0.26 -1.05 -0.31 0.00 0.04 0.00 0.00 61.00 59.94 1xa9 s PRO 227 Cb 0.07 -2.77 -0.12 0.00 0.04 0.00 0.00 34.50 31.73 1xa9 s PRO 227 CO 0.03 0.07 1.64 0.45 0.04 0.00 0.00 177.00 179.23 1xa9 n SER 228 N -1.60 3.92 -0.23 6.66 2.88 -1.26 -4.80 113.62 119.18 1xa9 n SER 228 Ca -0.00 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1xa9 n SER 228 Cb 0.58 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 1xa9 n SER 228 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xa9 n ALA 229 N 2.68 2.19 1.68 -1.46 0.00 -1.26 -5.17 120.51 119.17 1xa9 n ALA 229 Ca 0.11 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.69 1xa9 n ALA 229 Cb 0.36 -1.00 0.68 0.00 0.00 0.00 0.00 19.45 19.49 1xa9 n ALA 229 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97