#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pbq s LEU 6 N 0.00 4.37 -0.46 0.55 1.43 -0.48 -4.79 118.68 119.31 1pbq s LEU 6 Ca 0.00 2.39 -0.26 0.00 -1.03 0.00 0.00 54.13 55.22 1pbq s LEU 6 Cb 0.00 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.66 1pbq s LEU 6 CO 0.00 -0.69 0.98 -0.54 0.23 0.00 0.00 176.35 176.33 1pbq s LYS 7 N 1.15 3.60 -0.13 1.70 1.02 -1.26 -1.50 119.74 124.32 1pbq s LYS 7 Ca 0.66 0.29 -0.11 0.00 0.02 0.00 0.00 55.97 56.83 1pbq s LYS 7 Cb -0.38 -3.91 -0.05 0.00 -0.52 0.00 0.00 37.83 32.97 1pbq s LYS 7 CO 0.30 -1.25 0.23 0.42 -0.92 0.00 0.00 175.35 174.13 1pbq s ILE 8 N 3.93 5.35 -0.06 2.17 -1.09 0.25 -0.42 121.20 131.33 1pbq s ILE 8 Ca 0.40 0.41 0.03 0.00 -2.23 0.00 0.00 60.65 59.27 1pbq s ILE 8 Cb -0.09 -3.53 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 1pbq s ILE 8 CO 0.27 0.51 -0.14 0.54 -1.23 0.00 0.00 174.94 174.89 1pbq s VAL 9 N -0.33 3.09 0.22 2.92 0.11 -0.70 -1.39 120.40 124.32 1pbq s VAL 9 Ca 0.16 -0.71 0.03 0.00 -2.93 0.00 0.00 61.98 58.53 1pbq s VAL 9 Cb -0.13 -2.22 -0.01 0.00 -1.53 0.00 0.00 36.38 32.49 1pbq s VAL 9 CO 0.04 0.59 0.22 1.07 -3.33 0.00 0.00 175.10 173.69 1pbq n THR 10 N 2.40 0.00 -3.86 5.04 5.66 -0.78 -1.94 114.28 120.80 1pbq n THR 10 Ca -0.17 -1.44 -0.10 0.00 -3.05 0.00 0.00 64.05 59.29 1pbq n THR 10 Cb 0.52 0.76 -0.08 0.00 -1.55 0.00 0.00 70.33 69.98 1pbq n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1pbq s ILE 11 N -2.81 0.12 -0.25 1.09 2.07 -1.26 -1.65 121.20 118.50 1pbq s ILE 11 Ca 0.24 -0.95 -0.29 0.00 -1.41 0.00 0.00 60.65 58.24 1pbq s ILE 11 Cb 0.01 -0.95 -0.01 0.00 0.13 0.00 0.00 42.46 41.64 1pbq s ILE 11 CO 0.17 -0.52 1.35 -2.28 -1.91 0.00 0.00 174.94 171.74 1pbq s HIS 12 N -2.70 2.62 -0.42 3.50 5.65 -1.26 -4.61 115.29 118.06 1pbq s HIS 12 Ca -0.04 0.83 0.06 0.00 0.25 0.00 0.00 55.06 56.16 1pbq s HIS 12 Cb -0.00 -3.83 0.18 0.00 -1.18 0.00 0.00 32.58 27.75 1pbq s HIS 12 CO -0.05 -1.95 0.70 -1.14 -0.65 0.00 0.00 174.74 171.66 1pbq s GLN 13 N 4.09 0.78 0.44 2.88 2.00 -0.47 -5.00 119.66 124.39 1pbq s GLN 13 Ca 0.59 -0.38 -0.24 0.00 -2.00 0.00 0.00 55.36 53.32 1pbq s GLN 13 Cb -0.19 0.06 -0.08 0.00 0.80 0.00 0.00 33.01 33.60 1pbq s GLN 13 CO 0.22 -1.10 1.26 -1.21 -0.50 0.00 0.00 175.29 173.97 1pbq s GLU 14 N 1.67 3.78 -0.15 1.67 2.02 -1.21 -0.85 118.70 125.63 1pbq s GLU 14 Ca 0.18 2.03 0.11 0.00 0.02 0.00 0.00 54.97 57.32 1pbq s GLU 14 Cb -0.02 -2.57 0.59 0.00 0.10 0.00 0.00 34.13 32.23 1pbq s GLU 14 CO -0.08 -0.61 1.42 -0.35 0.02 0.00 0.00 175.26 175.67 1pbq n PRO 15 N -0.23 3.64 0.10 0.39 -0.04 -1.26 -4.81 135.00 132.79 1pbq n PRO 15 Ca 0.06 -2.27 -0.18 0.00 -0.04 0.00 0.00 63.50 61.06 1pbq n PRO 15 Cb 0.45 -1.97 -0.14 0.00 -0.04 0.00 0.00 33.50 31.80 1pbq n PRO 15 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1pbq h PHE 16 N 2.99 0.60 -2.66 0.54 -1.00 -1.34 -2.98 116.94 113.08 1pbq h PHE 16 Ca 0.00 -0.44 -0.32 0.00 2.81 0.00 0.00 57.97 60.02 1pbq h PHE 16 Cb 1.47 -0.02 -0.36 0.00 3.61 0.00 0.00 35.95 40.64 1pbq h PHE 16 CO 0.74 1.39 -0.63 0.08 -1.61 0.00 0.00 178.31 178.28 1pbq s VAL 17 N -2.63 -0.30 0.16 -0.55 1.01 -0.46 -1.50 120.40 116.14 1pbq s VAL 17 Ca -0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 1pbq s VAL 17 Cb 0.06 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 1pbq s VAL 17 CO 0.89 -0.15 0.38 -0.31 0.00 0.00 0.00 175.10 175.91 1pbq s TYR 18 N 2.31 3.48 -0.09 5.22 1.51 0.12 -1.36 117.35 128.54 1pbq s TYR 18 Ca 0.06 0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 56.60 1pbq s TYR 18 Cb -0.15 -1.96 0.03 0.00 -0.11 0.00 0.00 41.96 39.77 1pbq s TYR 18 CO -0.11 0.41 -0.02 0.08 -1.11 0.00 0.00 175.55 174.81 1pbq s VAL 19 N -1.73 0.55 0.13 0.71 1.01 -1.26 -2.74 120.40 117.06 1pbq s VAL 19 Ca 0.40 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1pbq s VAL 19 Cb -0.12 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1pbq s VAL 19 CO 0.26 0.26 -0.08 -0.54 0.00 0.00 0.00 175.10 175.00 1pbq s LYS 20 N 1.90 0.96 0.66 2.72 -0.14 -0.03 -4.96 119.74 120.85 1pbq s LYS 20 Ca 0.05 -1.40 -0.13 0.00 -1.36 0.00 0.00 55.97 53.12 1pbq s LYS 20 Cb -0.13 -0.40 -0.00 0.00 -1.68 0.00 0.00 37.83 35.62 1pbq s LYS 20 CO -0.06 0.02 1.08 -2.14 -0.76 0.00 0.00 175.35 173.48 1pbq s PRO 21 N -3.80 2.93 0.70 -1.68 0.02 -1.26 -0.21 135.00 131.69 1pbq s PRO 21 Ca 0.15 1.18 -0.11 0.00 0.02 0.00 0.00 61.00 62.24 1pbq s PRO 21 Cb 0.04 -1.98 0.01 0.00 0.02 0.00 0.00 34.50 32.59 1pbq s PRO 21 CO -0.02 -1.12 1.09 0.95 -0.33 0.00 0.00 177.00 177.57 1pbq s THR 22 N -2.64 3.66 1.00 0.99 -4.23 -1.26 -4.64 115.64 108.51 1pbq s THR 22 Ca 0.63 0.54 -0.16 0.00 -1.18 0.00 0.00 61.69 61.51 1pbq s THR 22 Cb -0.17 -3.50 0.21 0.00 1.34 0.00 0.00 72.50 70.38 1pbq s THR 22 CO 0.45 -0.70 1.26 -0.04 -0.54 0.00 0.00 174.62 175.05 1pbq s MET 23 N -5.30 0.34 0.55 3.99 -1.94 0.55 -4.86 119.30 112.63 1pbq s MET 23 Ca 0.58 -0.26 0.28 0.00 -1.71 0.00 0.00 55.69 54.57 1pbq s MET 23 Cb -0.11 -1.80 1.45 0.00 2.01 0.00 0.00 34.83 36.38 1pbq s MET 23 CO 0.52 -2.64 1.96 0.66 -0.01 0.00 0.00 175.02 175.52 1pbq h SER 24 N -1.81 0.00 -0.53 3.03 4.64 -1.97 -0.01 113.55 116.90 1pbq h SER 24 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1pbq h SER 24 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1pbq h SER 24 CO 0.40 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.46 1pbq n ASP 25 N -4.16 3.34 0.00 4.97 5.75 -1.26 -4.93 116.55 120.26 1pbq n ASP 25 Ca 0.10 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 1pbq n ASP 25 Cb 0.66 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 1pbq n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pbq n GLY 26 N 1.18 0.94 4.01 6.12 0.00 -0.02 -5.04 105.19 112.39 1pbq n GLY 26 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 1pbq n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pbq s THR 27 N -3.77 2.57 -0.22 2.61 -4.23 -1.26 -4.74 115.64 106.60 1pbq s THR 27 Ca 0.00 -0.92 -0.11 0.00 -1.18 0.00 0.00 61.69 59.48 1pbq s THR 27 Cb 0.00 -2.65 -0.05 0.00 1.34 0.00 0.00 72.50 71.14 1pbq s THR 27 CO 0.00 0.00 0.17 0.00 -0.54 0.00 0.00 174.62 174.25 1pbq n LYS 29 N 3.94 0.64 -2.61 0.00 5.02 -1.26 -4.87 118.16 119.01 1pbq n LYS 29 Ca -0.15 0.23 -0.43 0.00 -2.02 0.00 0.00 58.31 55.94 1pbq n LYS 29 Cb 0.52 -1.64 -0.02 0.00 -0.02 0.00 0.00 35.03 33.86 1pbq n LYS 29 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1pbq s GLU 30 N -0.34 4.16 0.26 1.97 8.01 -1.26 -5.00 118.70 126.51 1pbq s GLU 30 Ca 0.77 1.27 0.03 0.00 0.01 0.00 0.00 54.97 57.05 1pbq s GLU 30 Cb -0.99 -3.71 -0.06 0.00 -4.31 0.00 0.00 34.13 25.07 1pbq s GLU 30 CO 0.54 -0.78 0.03 -1.21 0.01 0.00 0.00 175.26 173.85 1pbq s GLU 31 N 3.48 1.44 0.03 1.61 2.02 -1.26 -5.07 118.70 120.95 1pbq s GLU 31 Ca 0.46 -1.76 -0.02 0.00 0.02 0.00 0.00 54.97 53.67 1pbq s GLU 31 Cb -0.15 -0.63 -0.02 0.00 0.10 0.00 0.00 34.13 33.44 1pbq s GLU 31 CO 0.12 -0.16 0.01 -0.06 0.02 0.00 0.00 175.26 175.19 1pbq s PHE 32 N -3.44 0.30 0.84 1.61 0.40 -1.26 -1.33 117.98 115.10 1pbq s PHE 32 Ca 0.33 -0.65 -0.11 0.00 -0.60 0.00 0.00 56.93 55.90 1pbq s PHE 32 Cb 0.07 -0.22 0.09 0.00 0.51 0.00 0.00 43.02 43.47 1pbq s PHE 32 CO 0.12 -0.29 1.09 0.95 0.70 0.00 0.00 175.22 177.79 1pbq s THR 33 N -2.39 2.93 0.57 0.64 -4.23 0.36 -4.84 115.64 108.68 1pbq s THR 33 Ca -0.07 0.30 0.26 0.00 -1.18 0.00 0.00 61.69 61.00 1pbq s THR 33 Cb -0.03 -2.89 0.33 0.00 1.34 0.00 0.00 72.50 71.25 1pbq s THR 33 CO -0.04 -0.39 2.23 1.62 -0.54 0.00 0.00 174.62 177.49 1pbq h VAL 34 N -1.31 0.66 0.00 2.29 3.04 -1.96 0.54 116.25 119.51 1pbq h VAL 34 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1pbq h VAL 34 Cb 1.27 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.55 1pbq h VAL 34 CO 0.56 0.00 0.00 -0.55 -1.01 0.00 0.00 177.57 176.57 1pbq h ASN 35 N 0.00 0.00 0.00 3.17 -0.00 -2.00 -3.46 115.58 113.29 1pbq h ASN 35 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1pbq h ASN 35 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1pbq h ASN 35 CO -0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.04 1pbq n GLY 36 N -0.41 0.75 3.82 9.14 0.00 0.19 -5.08 105.19 113.60 1pbq n GLY 36 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1pbq n GLY 36 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pbq s ASP 37 N -1.98 6.25 0.10 1.61 1.47 -1.26 -4.68 116.67 118.17 1pbq s ASP 37 Ca 0.00 1.69 -0.31 0.00 1.18 0.00 0.00 52.55 55.11 1pbq s ASP 37 Cb 0.00 -2.52 -0.07 0.00 -0.34 0.00 0.00 42.92 39.99 1pbq s ASP 37 CO 0.00 -0.85 1.28 -2.84 0.68 0.00 0.00 175.17 173.44 1pbq s PRO 38 N -4.05 4.39 -0.15 2.11 0.02 -1.26 -0.49 135.00 135.57 1pbq s PRO 38 Ca 0.61 1.91 -0.29 0.00 0.02 0.00 0.00 61.00 63.25 1pbq s PRO 38 Cb -0.13 -3.29 -0.01 0.00 0.02 0.00 0.00 34.50 31.09 1pbq s PRO 38 CO 0.33 -0.32 1.16 0.08 -0.33 0.00 0.00 177.00 177.92 1pbq s VAL 39 N 0.97 4.44 0.13 3.83 1.01 -0.44 -4.86 120.40 125.48 1pbq s VAL 39 Ca 0.61 1.74 -0.30 0.00 0.00 0.00 0.00 61.98 64.03 1pbq s VAL 39 Cb -0.33 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 31.86 1pbq s VAL 39 CO 0.30 -0.10 1.18 -0.54 0.00 0.00 0.00 175.10 175.94 1pbq s LYS 40 N 2.92 4.49 0.07 2.72 1.02 -1.26 -4.75 119.74 124.95 1pbq s LYS 40 Ca 0.51 1.80 0.02 0.00 0.02 0.00 0.00 55.97 58.32 1pbq s LYS 40 Cb -0.20 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 1pbq s LYS 40 CO 0.15 -0.12 -0.06 0.15 -0.92 0.00 0.00 175.35 174.54 1pbq s LYS 41 N 0.25 0.69 0.05 1.68 1.02 -1.26 -4.58 119.74 117.59 1pbq s LYS 41 Ca 0.54 -1.10 0.01 0.00 0.02 0.00 0.00 55.97 55.45 1pbq s LYS 41 Cb -0.31 -0.18 -0.03 0.00 -0.52 0.00 0.00 37.83 36.80 1pbq s LYS 41 CO 0.33 -0.01 -0.06 0.14 -0.92 0.00 0.00 175.35 174.83 1pbq s VAL 42 N -2.81 0.46 -0.05 3.17 -7.23 -0.63 -4.99 120.40 108.32 1pbq s VAL 42 Ca 0.03 -1.25 -0.26 0.00 -1.81 0.00 0.00 61.98 58.69 1pbq s VAL 42 Cb -0.00 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 1pbq s VAL 42 CO -0.03 -0.54 0.82 -0.63 -0.31 0.00 0.00 175.10 174.41 1pbq s ILE 43 N -1.98 4.96 -0.08 -0.62 -1.09 -1.26 -0.98 121.20 120.15 1pbq s ILE 43 Ca -0.06 1.71 0.02 0.00 -2.23 0.00 0.00 60.65 60.09 1pbq s ILE 43 Cb -0.06 -4.16 0.01 0.00 -1.58 0.00 0.00 42.46 36.67 1pbq s ILE 43 CO -0.02 0.19 -0.13 0.00 -1.23 0.00 0.00 174.94 173.75 1pbq s THR 45 N 0.78 5.04 0.00 0.00 -4.23 -0.85 -0.83 115.64 115.54 1pbq s THR 45 Ca -0.12 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 1pbq s THR 45 Cb -0.16 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.04 1pbq s THR 45 CO 0.02 0.16 0.02 0.61 -0.54 0.00 0.00 174.62 174.90 1pbq n GLY 46 N 0.53 0.48 1.90 3.99 0.00 -1.26 0.31 105.19 111.14 1pbq n GLY 46 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1pbq n GLY 46 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1pbq n VAL 59 N 0.00 -7.07 -1.98 1.61 3.14 -1.26 -4.92 118.33 107.84 1pbq n VAL 59 Ca 0.00 2.36 -0.42 0.00 -2.96 0.00 0.00 64.34 63.32 1pbq n VAL 59 Cb 0.24 -3.42 -0.03 0.00 -1.06 0.00 0.00 33.84 29.57 1pbq n VAL 59 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1pbq s PRO 60 N -1.23 4.24 0.37 1.45 0.02 -1.26 -4.96 135.00 133.62 1pbq s PRO 60 Ca 0.00 2.30 0.04 0.00 0.02 0.00 0.00 61.00 63.35 1pbq s PRO 60 Cb 0.00 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 1pbq s PRO 60 CO 0.00 -0.57 0.11 -0.65 -0.33 0.00 0.00 177.00 175.55 1pbq s GLN 61 N 1.19 1.80 -0.20 5.54 -0.21 -0.01 -4.43 119.66 123.33 1pbq s GLN 61 Ca 0.69 -2.06 -0.06 0.00 0.02 0.00 0.00 55.36 53.94 1pbq s GLN 61 Cb -0.42 -0.64 -0.03 0.00 1.00 0.00 0.00 33.01 32.92 1pbq s GLN 61 CO 0.31 -0.38 0.04 0.00 -2.12 0.00 0.00 175.29 173.13 1pbq s TYR 64 N -0.69 -0.33 -4.06 0.00 -0.85 -1.11 -1.60 117.35 108.71 1pbq s TYR 64 Ca 0.11 0.08 0.00 0.00 -0.52 0.00 0.00 57.07 56.74 1pbq s TYR 64 Cb -0.10 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.83 1pbq s TYR 64 CO 0.00 -0.82 0.00 0.41 -1.52 0.00 0.00 175.55 173.62 1pbq n GLY 65 N -0.37 0.90 0.37 5.49 0.00 -1.26 0.15 105.19 110.46 1pbq n GLY 65 Ca -0.10 -2.00 -0.07 0.00 0.00 0.00 0.00 46.02 43.85 1pbq n GLY 65 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1pbq h PHE 66 N 0.00 -1.08 0.00 1.61 3.04 -1.32 -0.58 116.94 118.61 1pbq h PHE 66 Ca 0.00 0.07 -0.09 0.00 3.98 0.00 0.00 57.97 61.93 1pbq h PHE 66 Cb 0.00 0.55 -0.01 0.00 2.56 0.00 0.00 35.95 39.04 1pbq h PHE 66 CO 0.00 -0.40 -0.44 0.00 -2.02 0.00 0.00 178.31 175.44 1pbq h ILE 68 N 0.00 1.28 -0.91 0.00 1.08 -1.47 0.69 117.51 118.18 1pbq h ILE 68 Ca -0.00 -1.57 -0.01 0.00 -0.39 0.00 0.00 64.86 62.89 1pbq h ILE 68 Cb 0.89 1.48 -0.04 0.00 -3.07 0.00 0.00 36.82 36.07 1pbq h ILE 68 CO 0.06 0.52 0.52 0.44 -0.69 0.00 0.00 178.15 179.00 1pbq h ASP 69 N 0.67 1.11 -0.22 1.72 5.19 -0.96 -1.41 116.42 122.51 1pbq h ASP 69 Ca 0.05 -0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.34 1pbq h ASP 69 Cb 0.98 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.20 1pbq h ASP 69 CO 0.09 0.87 0.00 0.25 -3.12 0.00 0.00 179.24 177.34 1pbq h LEU 70 N 1.26 0.38 -0.49 1.55 5.85 -1.09 -1.94 115.31 120.83 1pbq h LEU 70 Ca 0.32 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1pbq h LEU 70 Cb -0.02 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 1pbq h LEU 70 CO -0.06 0.59 0.14 0.25 -0.34 0.00 0.00 178.44 179.02 1pbq h LEU 71 N 0.15 0.10 -0.44 2.25 5.85 -0.46 0.02 115.31 122.77 1pbq h LEU 71 Ca 0.06 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1pbq h LEU 71 Cb 0.39 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1pbq h LEU 71 CO 0.01 0.08 0.28 0.40 -0.34 0.00 0.00 178.44 178.87 1pbq h ILE 72 N 0.29 1.08 -0.70 4.05 2.04 -1.18 0.37 117.51 123.46 1pbq h ILE 72 Ca 0.24 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1pbq h ILE 72 Cb 0.29 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1pbq h ILE 72 CO -0.28 0.10 0.46 0.50 0.00 0.00 0.00 178.15 178.93 1pbq h LYS 73 N 0.56 0.90 0.09 2.37 1.63 -0.60 -0.37 116.57 121.14 1pbq h LYS 73 Ca 0.17 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1pbq h LYS 73 Cb -0.02 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.41 1pbq h LYS 73 CO -0.06 0.59 -0.04 -0.07 -3.45 0.00 0.00 179.45 176.42 1pbq h LEU 74 N 0.92 -0.10 -0.84 5.20 3.38 -0.48 -0.65 115.31 122.75 1pbq h LEU 74 Ca 0.26 -0.26 0.14 0.00 0.09 0.00 0.00 57.88 58.12 1pbq h LEU 74 Cb -0.07 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.61 1pbq h LEU 74 CO -0.07 0.21 0.42 0.00 0.09 0.00 0.00 178.44 179.09 1pbq h ALA 75 N 0.47 1.25 0.20 1.53 0.00 -0.03 0.24 119.26 122.91 1pbq h ALA 75 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1pbq h ALA 75 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1pbq h ALA 75 CO 0.02 -0.10 -0.10 0.07 0.00 0.00 0.00 179.25 179.15 1pbq h ARG 76 N 0.61 -0.26 0.00 0.00 -0.00 -0.94 0.11 114.38 113.90 1pbq h ARG 76 Ca 0.45 0.02 -0.08 0.00 -0.00 0.00 0.00 59.98 60.37 1pbq h ARG 76 Cb 0.64 0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 30.65 1pbq h ARG 76 CO -0.36 0.12 -0.38 1.79 -0.00 0.00 0.00 179.97 181.14 1pbq h THR 77 N -0.71 1.17 -0.01 0.08 1.35 -0.82 -2.79 112.91 111.18 1pbq h THR 77 Ca -0.03 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 1pbq h THR 77 Cb 0.49 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1pbq h THR 77 CO 0.04 0.37 -0.43 0.23 -0.25 0.00 0.00 175.52 175.49 1pbq n MET 78 N -3.94 1.15 -3.36 4.72 2.00 0.80 -5.02 117.12 113.48 1pbq n MET 78 Ca -0.02 -0.91 -0.15 0.00 0.00 0.00 0.00 57.70 56.63 1pbq n MET 78 Cb 0.43 -1.48 0.01 0.00 0.00 0.00 0.00 33.22 32.18 1pbq n MET 78 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1pbq n ASN 79 N -0.13 -6.47 -3.92 7.83 4.05 0.31 -5.02 115.26 111.91 1pbq n ASN 79 Ca 0.10 -0.33 -0.10 0.00 0.45 0.00 0.00 54.58 54.69 1pbq n ASN 79 Cb 0.45 -3.56 -0.10 0.00 1.23 0.00 0.00 39.78 37.79 1pbq n ASN 79 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 1pbq s PHE 80 N -2.77 0.14 0.30 1.20 -0.12 -0.74 -5.04 117.98 110.95 1pbq s PHE 80 Ca 0.08 -0.30 -0.01 0.00 -0.05 0.00 0.00 56.93 56.65 1pbq s PHE 80 Cb -0.01 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 1pbq s PHE 80 CO 0.82 -0.23 0.51 0.95 -0.05 0.00 0.00 175.22 177.22 1pbq s THR 81 N -1.37 5.11 0.26 -4.49 -4.23 -1.26 -4.76 115.64 104.91 1pbq s THR 81 Ca -0.15 -0.32 -0.15 0.00 -1.18 0.00 0.00 61.69 59.90 1pbq s THR 81 Cb -0.08 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.96 1pbq s THR 81 CO 0.00 -0.42 0.55 -0.72 -0.54 0.00 0.00 174.62 173.50 1pbq s TYR 82 N -2.16 0.23 -0.06 3.99 1.13 -1.26 -1.38 117.35 117.83 1pbq s TYR 82 Ca 0.41 -0.62 -0.03 0.00 -1.41 0.00 0.00 57.07 55.41 1pbq s TYR 82 Cb -0.10 0.34 0.03 0.00 -1.10 0.00 0.00 41.96 41.13 1pbq s TYR 82 CO 0.33 -1.08 0.15 -1.21 -2.51 0.00 0.00 175.55 171.23 1pbq s GLU 83 N -3.92 0.12 -0.08 -3.49 2.02 -0.56 -4.84 118.70 107.95 1pbq s GLU 83 Ca 0.19 0.34 -0.00 0.00 0.02 0.00 0.00 54.97 55.52 1pbq s GLU 83 Cb -0.02 -0.12 -0.03 0.00 0.10 0.00 0.00 34.13 34.06 1pbq s GLU 83 CO 0.09 -0.13 -0.05 0.08 0.02 0.00 0.00 175.26 175.27 1pbq s VAL 84 N 0.92 3.87 0.03 2.63 1.01 -1.26 -0.58 120.40 127.02 1pbq s VAL 84 Ca -0.07 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1pbq s VAL 84 Cb -0.09 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1pbq s VAL 84 CO -0.05 0.60 -0.01 -1.38 0.00 0.00 0.00 175.10 174.26 1pbq s HIS 85 N -0.79 0.32 0.01 5.22 -3.43 -0.48 -2.01 115.29 114.12 1pbq s HIS 85 Ca 0.12 -0.65 -0.23 0.00 -0.80 0.00 0.00 55.06 53.50 1pbq s HIS 85 Cb -0.11 -0.23 -0.05 0.00 -1.43 0.00 0.00 32.58 30.75 1pbq s HIS 85 CO 0.02 -0.26 0.67 -0.51 -2.00 0.00 0.00 174.74 172.66 1pbq s LEU 86 N -1.89 4.42 0.06 5.38 1.43 0.15 -1.86 118.68 126.37 1pbq s LEU 86 Ca -0.09 1.28 -0.37 0.00 -1.03 0.00 0.00 54.13 53.92 1pbq s LEU 86 Cb -0.04 -3.06 -0.17 0.00 0.03 0.00 0.00 46.19 42.94 1pbq s LEU 86 CO -0.04 0.05 1.35 0.55 0.23 0.00 0.00 176.35 178.50 1pbq n VAL 87 N 2.84 0.02 -0.22 -1.59 3.14 -0.66 -4.74 118.33 117.13 1pbq n VAL 87 Ca -0.05 -0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.33 1pbq n VAL 87 Cb 0.51 -0.81 0.11 0.00 -1.06 0.00 0.00 33.84 32.59 1pbq n VAL 87 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pbq h ALA 88 N 4.65 0.87 -0.30 1.55 0.00 -1.92 -2.64 119.26 121.46 1pbq h ALA 88 Ca -0.48 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1pbq h ALA 88 Cb 1.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1pbq h ALA 88 CO 0.78 -0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.57 1pbq n ASP 89 N -4.88 2.28 -1.59 0.00 5.68 -1.26 -4.95 116.55 111.83 1pbq n ASP 89 Ca 0.09 -1.86 -0.17 0.00 -0.50 0.00 0.00 54.79 52.35 1pbq n ASP 89 Cb 0.23 -0.19 -0.05 0.00 -1.14 0.00 0.00 41.12 39.96 1pbq n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pbq n GLY 90 N 1.24 0.94 3.46 6.12 0.00 -1.00 -4.95 105.19 111.01 1pbq n GLY 90 Ca 0.17 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1pbq n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pbq s LYS 91 N -4.01 1.65 -0.02 1.61 1.02 -1.26 -5.02 119.74 113.71 1pbq s LYS 91 Ca 0.00 -1.53 -0.24 0.00 0.02 0.00 0.00 55.97 54.22 1pbq s LYS 91 Cb 0.00 -1.89 -0.21 0.00 -0.52 0.00 0.00 37.83 35.22 1pbq s LYS 91 CO 0.00 0.39 1.14 0.74 -0.92 0.00 0.00 175.35 176.71 1pbq h PHE 92 N 2.95 0.25 0.00 3.18 -1.00 -1.92 -1.85 116.94 118.54 1pbq h PHE 92 Ca -0.45 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 60.22 1pbq h PHE 92 Cb 1.22 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.74 1pbq h PHE 92 CO 0.71 0.81 0.00 0.41 -1.61 0.00 0.00 178.31 178.63 1pbq n GLY 93 N 0.70 3.41 3.14 -1.45 0.00 -1.26 -1.22 105.19 108.52 1pbq n GLY 93 Ca -0.09 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 1pbq n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pbq s THR 94 N 0.00 0.16 -0.32 2.61 -4.23 -1.26 -4.87 115.64 107.73 1pbq s THR 94 Ca 0.00 -1.31 -0.25 0.00 -1.18 0.00 0.00 61.69 58.95 1pbq s THR 94 Cb 0.00 -1.23 0.01 0.00 1.34 0.00 0.00 72.50 72.61 1pbq s THR 94 CO 0.00 -0.73 0.85 -1.10 -0.54 0.00 0.00 174.62 173.11 1pbq s GLN 95 N -3.44 3.95 0.28 3.99 -0.21 -1.26 -1.77 119.66 121.21 1pbq s GLN 95 Ca 0.02 0.65 0.09 0.00 0.02 0.00 0.00 55.36 56.14 1pbq s GLN 95 Cb 0.04 -3.74 -0.06 0.00 1.00 0.00 0.00 33.01 30.25 1pbq s GLN 95 CO -0.08 -0.76 -0.12 -1.21 -2.12 0.00 0.00 175.29 171.00 1pbq s GLU 96 N 3.14 1.61 0.27 2.91 0.41 -0.79 -4.85 118.70 121.40 1pbq s GLU 96 Ca 0.35 -1.78 -0.29 0.00 -0.41 0.00 0.00 54.97 52.84 1pbq s GLU 96 Cb -0.13 -1.43 -0.09 0.00 -1.78 0.00 0.00 34.13 30.69 1pbq s GLU 96 CO 0.14 0.16 1.01 -0.98 -0.49 0.00 0.00 175.26 175.09 1pbq s ARG 97 N -3.63 4.72 0.03 1.61 1.70 -1.26 -0.34 118.95 121.77 1pbq s ARG 97 Ca 0.29 1.60 0.00 0.00 -0.47 0.00 0.00 55.73 57.15 1pbq s ARG 97 Cb 0.01 -3.17 -0.04 0.00 -0.57 0.00 0.00 34.95 31.18 1pbq s ARG 97 CO 0.13 0.35 0.13 0.14 -1.08 0.00 0.00 175.30 174.97 1pbq s VAL 98 N -1.24 4.96 -0.29 4.99 -7.23 0.18 -4.75 120.40 117.03 1pbq s VAL 98 Ca 0.44 -0.46 -0.02 0.00 -1.81 0.00 0.00 61.98 60.14 1pbq s VAL 98 Cb -0.27 -3.35 0.00 0.00 0.56 0.00 0.00 36.38 33.32 1pbq s VAL 98 CO 0.34 0.23 0.20 0.59 -0.31 0.00 0.00 175.10 176.16 1pbq n ASN 99 N 0.73 -1.52 -4.46 4.85 5.03 -1.26 -0.57 115.26 118.06 1pbq n ASN 99 Ca -0.09 -0.34 -0.41 0.00 0.87 0.00 0.00 54.58 54.61 1pbq n ASN 99 Cb 0.52 -0.51 -0.07 0.00 -1.02 0.00 0.00 39.78 38.70 1pbq n ASN 99 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1pbq n ASN 100 N -0.46 -2.22 -3.58 6.41 5.03 -1.26 -4.93 115.26 114.25 1pbq n ASN 100 Ca -0.10 -1.19 -0.20 0.00 0.87 0.00 0.00 54.58 53.96 1pbq n ASN 100 Cb 0.22 -1.91 -0.05 0.00 -1.02 0.00 0.00 39.78 37.02 1pbq n ASN 100 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1pbq n SER 101 N -2.51 2.36 -0.94 6.41 3.41 0.27 -5.03 113.62 117.59 1pbq n SER 101 Ca 0.11 -2.50 0.12 0.00 -0.26 0.00 0.00 58.87 56.34 1pbq n SER 101 Cb 0.46 0.39 0.23 0.00 -0.26 0.00 0.00 64.21 65.03 1pbq n SER 101 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1pbq n ASN 102 N -1.37 2.85 -4.71 4.04 5.03 -1.26 -4.41 115.26 115.44 1pbq n ASN 102 Ca -0.11 -1.91 -0.42 0.00 0.87 0.00 0.00 54.58 53.01 1pbq n ASN 102 Cb 0.43 -0.11 -0.03 0.00 -1.02 0.00 0.00 39.78 39.05 1pbq n ASN 102 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1pbq s LYS 103 N -1.78 4.52 0.08 3.52 -0.14 -1.26 -4.96 119.74 119.73 1pbq s LYS 103 Ca 0.34 1.37 0.06 0.00 -1.36 0.00 0.00 55.97 56.38 1pbq s LYS 103 Cb 0.21 -3.47 -0.04 0.00 -1.68 0.00 0.00 37.83 32.85 1pbq s LYS 103 CO 0.31 -0.09 -0.10 0.15 -0.76 0.00 0.00 175.35 174.86 1pbq s LYS 104 N 1.17 2.22 -0.03 1.68 1.02 -1.26 -0.65 119.74 123.90 1pbq s LYS 104 Ca 0.50 -0.95 -0.10 0.00 0.02 0.00 0.00 55.97 55.44 1pbq s LYS 104 Cb -0.20 -2.34 0.01 0.00 -0.52 0.00 0.00 37.83 34.78 1pbq s LYS 104 CO 0.25 0.53 0.21 -1.21 -0.92 0.00 0.00 175.35 174.21 1pbq s GLU 105 N -1.99 0.48 0.25 1.68 2.02 0.53 -4.90 118.70 116.77 1pbq s GLU 105 Ca 0.20 -0.15 -0.30 0.00 0.02 0.00 0.00 54.97 54.74 1pbq s GLU 105 Cb -0.11 0.21 -0.09 0.00 0.10 0.00 0.00 34.13 34.23 1pbq s GLU 105 CO 0.12 -0.11 1.29 -1.58 0.02 0.00 0.00 175.26 175.00 1pbq s TRP 106 N -0.97 3.22 0.00 1.61 0.52 -1.26 -1.88 118.94 120.18 1pbq s TRP 106 Ca -0.11 1.33 0.00 0.00 0.02 0.00 0.00 56.10 57.35 1pbq s TRP 106 Cb -0.05 -3.60 0.00 0.00 -1.15 0.00 0.00 33.47 28.67 1pbq s TRP 106 CO 0.02 -1.75 0.00 0.27 0.02 0.00 0.00 176.95 175.51 1pbq n ASN 107 N 1.86 1.00 0.00 2.95 2.04 -0.73 -4.08 115.26 118.30 1pbq n ASN 107 Ca 0.03 -0.47 0.00 0.00 -0.44 0.00 0.00 54.58 53.70 1pbq n ASN 107 Cb 0.43 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.68 1pbq n ASN 107 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1pbq n GLY 108 N 5.00 1.10 0.21 4.83 0.00 -1.26 -1.12 105.19 113.94 1pbq n GLY 108 Ca 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 1pbq n GLY 108 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1pbq h MET 109 N 0.00 0.32 -0.33 1.61 2.86 -0.27 -2.53 114.93 116.60 1pbq h MET 109 Ca 0.00 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1pbq h MET 109 Cb 0.00 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1pbq h MET 109 CO 0.00 0.66 0.14 0.52 1.06 0.00 0.00 176.91 179.29 1pbq h MET 110 N 0.27 0.28 -0.84 1.72 2.07 -1.45 -1.42 114.93 115.57 1pbq h MET 110 Ca 0.03 -0.02 -0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1pbq h MET 110 Cb 0.80 -0.06 -0.04 0.00 -1.87 0.00 0.00 31.60 30.43 1pbq h MET 110 CO 0.06 0.19 0.51 0.78 1.07 0.00 0.00 176.91 179.52 1pbq h GLY 111 N 0.29 1.22 1.65 8.32 0.00 -0.83 -2.16 103.07 111.55 1pbq h GLY 111 Ca 0.14 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 1pbq h GLY 111 CO -0.13 0.49 -0.43 0.83 0.00 0.00 0.00 176.54 177.31 1pbq h GLU 112 N 1.15 0.39 -0.41 4.80 5.08 -1.08 -1.59 114.58 122.92 1pbq h GLU 112 Ca 0.30 -0.20 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 1pbq h GLU 112 Cb -0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1pbq h GLU 112 CO -0.06 0.75 -0.27 1.25 -1.00 0.00 0.00 179.01 179.69 1pbq h LEU 113 N 0.32 0.95 -0.74 1.33 5.85 -1.06 0.03 115.31 121.99 1pbq h LEU 113 Ca 0.03 -0.43 -0.12 0.00 0.84 0.00 0.00 57.88 58.20 1pbq h LEU 113 Cb 0.88 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1pbq h LEU 113 CO 0.07 1.17 -0.57 -0.07 -0.34 0.00 0.00 178.44 178.71 1pbq h LEU 114 N 0.73 0.00 -0.06 2.25 3.38 -1.30 -3.10 115.31 117.21 1pbq h LEU 114 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1pbq h LEU 114 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1pbq h LEU 114 CO 0.07 0.57 -0.33 -1.54 0.09 0.00 0.00 178.44 177.30 1pbq n SER 115 N -3.68 0.41 0.00 -0.43 3.41 -0.61 -4.94 113.62 107.79 1pbq n SER 115 Ca -0.01 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1pbq n SER 115 Cb 0.61 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1pbq n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pbq n GLY 116 N 1.47 0.89 0.08 5.00 0.00 -0.79 -4.90 105.19 106.95 1pbq n GLY 116 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 1pbq n GLY 116 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pbq n GLN 117 N -2.00 0.10 -3.85 1.61 6.02 -0.07 -4.63 117.38 114.55 1pbq n GLN 117 Ca 0.00 0.44 -0.11 0.00 -0.01 0.00 0.00 57.00 57.33 1pbq n GLN 117 Cb 0.00 -1.73 -0.09 0.00 1.02 0.00 0.00 30.24 29.44 1pbq n GLN 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pbq s ALA 118 N -3.23 -0.37 -0.66 -1.58 0.00 -0.90 -4.93 121.76 110.10 1pbq s ALA 118 Ca 0.03 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 51.86 1pbq s ALA 118 Cb 0.07 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1pbq s ALA 118 CO 0.24 -0.31 0.51 -0.25 0.00 0.00 0.00 175.76 175.95 1pbq n ASP 119 N 0.95 0.90 -3.64 0.00 8.00 0.44 -4.42 116.55 118.78 1pbq n ASP 119 Ca -0.20 -0.95 -0.09 0.00 0.71 0.00 0.00 54.79 54.26 1pbq n ASP 119 Cb 0.58 0.62 -0.07 0.00 -0.02 0.00 0.00 41.12 42.22 1pbq n ASP 119 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1pbq s MET 120 N -1.36 0.55 -0.25 -1.24 1.75 -1.15 -4.57 119.30 113.02 1pbq s MET 120 Ca 0.06 0.70 -0.09 0.00 -1.25 0.00 0.00 55.69 55.11 1pbq s MET 120 Cb 0.07 0.24 -0.04 0.00 2.84 0.00 0.00 34.83 37.94 1pbq s MET 120 CO 0.24 -0.07 0.11 0.42 -0.65 0.00 0.00 175.02 175.07 1pbq s ILE 121 N 0.48 4.74 -0.32 10.11 1.01 0.11 -1.72 121.20 135.61 1pbq s ILE 121 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.65 1pbq s ILE 121 Cb -0.05 -3.22 0.09 0.00 0.01 0.00 0.00 42.46 39.29 1pbq s ILE 121 CO -0.07 0.32 0.03 -0.69 0.00 0.00 0.00 174.94 174.53 1pbq s VAL 122 N 1.53 1.93 0.03 2.92 1.01 -0.82 -1.57 120.40 125.43 1pbq s VAL 122 Ca 0.06 -2.00 -0.28 0.00 0.00 0.00 0.00 61.98 59.77 1pbq s VAL 122 Cb -0.15 -2.37 0.10 0.00 0.00 0.00 0.00 36.38 33.95 1pbq s VAL 122 CO 0.06 -0.52 1.23 0.00 0.00 0.00 0.00 175.10 175.87 1pbq s ALA 123 N 1.10 -2.19 -1.32 5.51 0.00 -1.26 -4.45 121.76 119.15 1pbq s ALA 123 Ca 0.07 0.22 -0.16 0.00 0.00 0.00 0.00 51.96 52.09 1pbq s ALA 123 Cb -0.19 0.66 0.08 0.00 0.00 0.00 0.00 23.12 23.68 1pbq s ALA 123 CO -0.11 -1.10 1.80 -0.35 0.00 0.00 0.00 175.76 176.01 1pbq n PRO 124 N -0.69 3.17 -3.19 0.00 -0.04 -1.26 -4.67 135.00 128.31 1pbq n PRO 124 Ca -0.02 -3.23 -0.42 0.00 -0.04 0.00 0.00 63.50 59.79 1pbq n PRO 124 Cb 0.60 -3.39 -0.07 0.00 -0.04 0.00 0.00 33.50 30.60 1pbq n PRO 124 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1pbq s LEU 125 N 3.37 4.42 0.17 1.53 2.96 -1.26 -4.99 118.68 124.88 1pbq s LEU 125 Ca 0.51 -0.13 -0.31 0.00 -0.22 0.00 0.00 54.13 53.97 1pbq s LEU 125 Cb 0.05 -2.64 -0.10 0.00 0.50 0.00 0.00 46.19 44.01 1pbq s LEU 125 CO 0.04 -0.59 1.54 -0.89 -1.32 0.00 0.00 176.35 175.13 1pbq s THR 126 N 2.53 2.69 0.03 3.68 2.01 -1.26 -2.39 115.64 122.93 1pbq s THR 126 Ca 0.20 0.50 -0.30 0.00 0.31 0.00 0.00 61.69 62.41 1pbq s THR 126 Cb -0.15 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 1pbq s THR 126 CO 0.15 0.04 0.96 -0.63 -0.69 0.00 0.00 174.62 174.45 1pbq s ILE 127 N 1.00 4.78 0.05 1.82 1.01 -0.13 -4.94 121.20 124.79 1pbq s ILE 127 Ca 0.68 2.03 -0.23 0.00 0.00 0.00 0.00 60.65 63.13 1pbq s ILE 127 Cb -0.43 -4.30 0.05 0.00 0.01 0.00 0.00 42.46 37.79 1pbq s ILE 127 CO 0.33 0.21 0.53 0.54 0.00 0.00 0.00 174.94 176.54 1pbq s ASN 128 N 0.71 -0.45 0.25 3.58 6.03 -1.26 -4.61 114.94 119.19 1pbq s ASN 128 Ca 0.50 0.18 -0.03 0.00 -1.03 0.00 0.00 52.86 52.47 1pbq s ASN 128 Cb -0.21 0.50 0.45 0.00 -3.03 0.00 0.00 41.25 38.95 1pbq s ASN 128 CO 0.28 -0.73 1.79 0.78 -2.03 0.00 0.00 177.10 177.19 1pbq h ASN 129 N 2.74 0.61 -0.26 3.54 2.35 -1.97 -0.98 115.58 121.61 1pbq h ASN 129 Ca -0.31 0.06 0.05 0.00 -0.55 0.00 0.00 56.30 55.55 1pbq h ASN 129 Cb 1.22 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 39.50 1pbq h ASN 129 CO 0.41 0.32 -0.01 -0.33 -1.65 0.00 0.00 177.43 176.17 1pbq h GLU 130 N 0.72 0.07 -0.39 0.81 3.07 -2.01 -2.44 114.58 114.40 1pbq h GLU 130 Ca 0.42 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.21 1pbq h GLU 130 Cb 0.47 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1pbq h GLU 130 CO -0.29 0.05 -0.03 0.00 -1.40 0.00 0.00 179.01 177.34 1pbq h ARG 131 N 0.07 0.71 0.00 2.33 3.08 -1.86 -2.97 114.38 115.74 1pbq h ARG 131 Ca 0.12 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1pbq h ARG 131 Cb 0.17 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1pbq h ARG 131 CO -0.22 0.82 0.06 0.00 -1.07 0.00 0.00 179.97 179.56 1pbq h ALA 132 N 0.87 1.05 0.00 0.04 0.00 -0.82 -0.21 119.26 120.19 1pbq h ALA 132 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1pbq h ALA 132 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1pbq h ALA 132 CO 0.03 -0.05 -0.59 1.96 0.00 0.00 0.00 179.25 180.59 1pbq h GLN 133 N 0.00 0.00 0.00 0.00 4.20 -1.28 -3.36 115.11 114.68 1pbq h GLN 133 Ca 0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 1pbq h GLN 133 Cb 0.12 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.84 1pbq h GLN 133 CO 0.00 0.59 -2.15 0.66 -0.67 0.00 0.00 178.83 177.26 1pbq n TYR 134 N -3.43 0.00 -4.57 2.96 4.02 -0.19 -5.04 117.16 110.90 1pbq n TYR 134 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.63 1pbq n TYR 134 Cb 0.69 -0.82 -0.07 0.00 -0.02 0.00 0.00 39.34 39.13 1pbq n TYR 134 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 1pbq n ILE 135 N -2.69 0.00 -5.07 -0.72 -5.35 -0.59 -4.58 119.36 100.36 1pbq n ILE 135 Ca -0.29 -2.26 -0.32 0.00 -0.27 0.00 0.00 62.75 59.61 1pbq n ILE 135 Cb 1.02 0.67 -0.16 0.00 -1.74 0.00 0.00 39.64 39.43 1pbq n ILE 135 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1pbq s GLU 136 N -3.58 3.04 -0.03 6.28 4.04 0.85 -4.43 118.70 124.87 1pbq s GLU 136 Ca 0.12 -0.81 -0.03 0.00 0.04 0.00 0.00 54.97 54.29 1pbq s GLU 136 Cb 0.01 -2.38 -0.04 0.00 0.02 0.00 0.00 34.13 31.73 1pbq s GLU 136 CO 0.08 0.25 0.13 -0.06 -1.84 0.00 0.00 175.26 173.83 1pbq s PHE 137 N 0.19 3.44 0.91 4.83 0.40 -1.26 -1.67 117.98 124.82 1pbq s PHE 137 Ca -0.12 0.32 -0.14 0.00 -0.60 0.00 0.00 56.93 56.40 1pbq s PHE 137 Cb -0.16 -1.81 0.17 0.00 0.51 0.00 0.00 43.02 41.73 1pbq s PHE 137 CO 0.07 0.62 1.26 -1.54 0.70 0.00 0.00 175.22 176.33 1pbq s SER 138 N -1.67 3.47 0.50 1.36 1.04 -0.83 -4.96 113.70 112.61 1pbq s SER 138 Ca 0.23 0.27 -0.23 0.00 0.48 0.00 0.00 55.95 56.70 1pbq s SER 138 Cb -0.12 -0.42 -0.06 0.00 0.10 0.00 0.00 66.02 65.52 1pbq s SER 138 CO 0.14 -2.51 1.32 -1.59 0.98 0.00 0.00 173.24 171.58 1pbq s LYS 139 N -5.75 3.42 0.19 4.02 0.00 -1.26 -4.62 119.74 115.73 1pbq s LYS 139 Ca 0.71 2.15 -0.33 0.00 0.00 0.00 0.00 55.97 58.50 1pbq s LYS 139 Cb -0.05 -2.38 -0.13 0.00 0.00 0.00 0.00 37.83 35.26 1pbq s LYS 139 CO 0.51 -0.94 1.61 -2.30 0.00 0.00 0.00 175.35 174.23 1pbq n PRO 140 N -0.70 2.36 0.00 1.78 -0.02 -1.26 -4.67 135.00 132.49 1pbq n PRO 140 Ca 0.08 0.85 0.12 0.00 -2.02 0.00 0.00 63.50 62.54 1pbq n PRO 140 Cb 0.45 -2.64 0.31 0.00 -0.02 0.00 0.00 33.50 31.60 1pbq n PRO 140 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1pbq n PHE 141 N 3.38 0.00 -3.64 6.00 1.16 -0.21 -4.88 117.46 119.28 1pbq n PHE 141 Ca 0.16 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.65 1pbq n PHE 141 Cb 0.31 -0.21 -0.07 0.00 -1.61 0.00 0.00 39.48 37.90 1pbq n PHE 141 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 1pbq s LYS 142 N -2.83 0.50 0.59 3.97 2.20 -1.24 -4.99 119.74 117.94 1pbq s LYS 142 Ca 0.16 0.57 -0.16 0.00 -0.36 0.00 0.00 55.97 56.18 1pbq s LYS 142 Cb 0.18 0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 36.70 1pbq s LYS 142 CO 0.63 -0.06 1.05 0.71 -0.36 0.00 0.00 175.35 177.32 1pbq s TYR 143 N 0.16 3.02 0.21 4.03 4.12 -1.26 -0.60 117.35 127.04 1pbq s TYR 143 Ca 0.03 1.51 0.09 0.00 0.02 0.00 0.00 57.07 58.71 1pbq s TYR 143 Cb -0.05 -2.99 -0.05 0.00 -1.52 0.00 0.00 41.96 37.35 1pbq s TYR 143 CO -0.06 -1.06 -0.16 -1.14 0.02 0.00 0.00 175.55 173.15 1pbq s GLN 144 N -4.08 1.39 0.00 -0.62 -0.44 0.97 -4.70 119.66 112.17 1pbq s GLN 144 Ca 0.63 -1.61 0.00 0.00 -2.50 0.00 0.00 55.36 51.89 1pbq s GLN 144 Cb -0.16 -1.27 0.00 0.00 -1.64 0.00 0.00 33.01 29.95 1pbq s GLN 144 CO 0.37 0.22 0.00 0.41 0.50 0.00 0.00 175.29 176.79 1pbq n GLY 145 N -0.36 -0.51 3.63 2.59 0.00 -1.26 -1.05 105.19 108.23 1pbq n GLY 145 Ca -0.08 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.63 1pbq n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pbq s LEU 146 N 0.00 3.17 0.00 0.99 1.43 -0.18 -1.10 118.68 122.99 1pbq s LEU 146 Ca 0.00 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1pbq s LEU 146 Cb 0.00 -1.82 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 1pbq s LEU 146 CO 0.00 0.08 0.30 1.07 0.23 0.00 0.00 176.35 178.03 1pbq n THR 147 N -0.15 0.00 -5.04 5.49 5.66 -0.81 -1.58 114.28 117.85 1pbq n THR 147 Ca -0.10 -1.46 -0.29 0.00 -3.05 0.00 0.00 64.05 59.15 1pbq n THR 147 Cb 0.56 0.82 -0.17 0.00 -1.55 0.00 0.00 70.33 70.00 1pbq n THR 147 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1pbq s ILE 148 N -2.81 1.76 -0.17 1.09 1.01 -1.24 -2.60 121.20 118.25 1pbq s ILE 148 Ca 0.24 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 1pbq s ILE 148 Cb 0.00 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 1pbq s ILE 148 CO 0.17 0.49 0.07 -0.22 0.00 0.00 0.00 174.94 175.46 1pbq s LEU 149 N 0.20 3.90 0.20 2.97 2.96 -0.14 -0.96 118.68 127.81 1pbq s LEU 149 Ca -0.11 0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 53.91 1pbq s LEU 149 Cb -0.15 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 1pbq s LEU 149 CO 0.05 0.21 0.18 0.68 -1.32 0.00 0.00 176.35 176.16 1pbq s VAL 150 N 0.13 0.01 0.40 1.68 -7.23 -0.63 -1.23 120.40 113.52 1pbq s VAL 150 Ca 0.06 -1.89 -0.23 0.00 -1.81 0.00 0.00 61.98 58.10 1pbq s VAL 150 Cb -0.12 -2.41 -0.10 0.00 0.56 0.00 0.00 36.38 34.31 1pbq s VAL 150 CO 0.00 -0.04 0.99 -0.75 -0.31 0.00 0.00 175.10 174.99 1pbq s LYS 151 N -4.13 4.26 0.19 4.82 2.20 -1.26 -1.80 119.74 124.03 1pbq s LYS 151 Ca 0.35 1.33 -0.32 0.00 -0.36 0.00 0.00 55.97 56.97 1pbq s LYS 151 Cb 0.06 -2.46 -0.15 0.00 -1.51 0.00 0.00 37.83 33.77 1pbq s LYS 151 CO 0.11 -0.02 1.23 0.36 -0.36 0.00 0.00 175.35 176.66 1pbq n LYS 152 N -0.16 1.41 0.00 4.03 2.85 0.44 -1.71 118.16 125.03 1pbq n LYS 152 Ca 0.05 0.50 0.00 0.00 -1.05 0.00 0.00 58.31 57.81 1pbq n LYS 152 Cb 0.51 -2.04 0.00 0.00 -0.65 0.00 0.00 35.03 32.85 1pbq n LYS 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1pbq n GLY 153 N 2.04 2.65 3.74 2.58 0.00 -1.26 -5.03 105.19 109.90 1pbq n GLY 153 Ca 0.14 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1pbq n GLY 153 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pbq s THR 154 N -2.10 2.80 -0.28 2.61 2.01 -0.69 -4.99 115.64 114.99 1pbq s THR 154 Ca 0.00 0.67 -0.05 0.00 0.31 0.00 0.00 61.69 62.61 1pbq s THR 154 Cb 0.00 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 69.09 1pbq s THR 154 CO 0.00 0.10 0.04 -0.13 -0.69 0.00 0.00 174.62 173.94 1pbq s ARG 155 N -0.31 3.08 -0.04 4.92 1.81 -1.26 -4.93 118.95 122.22 1pbq s ARG 155 Ca 0.59 -0.85 -0.01 0.00 -1.72 0.00 0.00 55.73 53.74 1pbq s ARG 155 Cb -0.40 -3.25 0.03 0.00 -0.45 0.00 0.00 34.95 30.88 1pbq s ARG 155 CO 0.42 -0.40 0.04 0.42 -0.68 0.00 0.00 175.30 175.10 1pbq s ILE 156 N 1.46 -0.01 -0.82 1.52 -1.09 -1.26 -5.04 121.20 115.97 1pbq s ILE 156 Ca 0.02 0.31 0.25 0.00 -2.23 0.00 0.00 60.65 59.01 1pbq s ILE 156 Cb -0.17 -0.20 0.24 0.00 -1.58 0.00 0.00 42.46 40.75 1pbq s ILE 156 CO 0.00 0.17 1.77 0.35 -1.23 0.00 0.00 174.94 176.00 1pbq n THR 157 N 4.94 0.50 0.00 2.92 -2.24 -1.26 -3.25 114.28 115.90 1pbq n THR 157 Ca -0.11 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1pbq n THR 157 Cb 0.50 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 1pbq n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pbq n GLY 158 N 0.94 0.97 0.12 3.38 0.00 -1.26 -3.36 105.19 105.99 1pbq n GLY 158 Ca 0.05 -1.89 0.10 0.00 0.00 0.00 0.00 46.02 44.28 1pbq n GLY 158 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1pbq n ILE 159 N 8.85 1.00 0.13 -0.61 0.13 -1.26 -2.03 119.36 125.58 1pbq n ILE 159 Ca 0.00 0.43 0.09 0.00 -1.10 0.00 0.00 62.75 62.17 1pbq n ILE 159 Cb 0.00 -1.38 0.18 0.00 -0.84 0.00 0.00 39.64 37.60 1pbq n ILE 159 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 1pbq n ASN 160 N -2.13 3.09 -4.77 9.51 3.02 -1.26 -4.61 115.26 118.11 1pbq n ASN 160 Ca 0.01 -1.90 -0.40 0.00 -0.03 0.00 0.00 54.58 52.26 1pbq n ASN 160 Cb 0.14 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 1pbq n ASN 160 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pbq s ASP 161 N -1.20 6.23 0.26 6.41 -1.08 -0.86 -4.74 116.67 121.69 1pbq s ASP 161 Ca 0.31 2.93 -0.02 0.00 -0.52 0.00 0.00 52.55 55.24 1pbq s ASP 161 Cb 0.18 -2.66 0.56 0.00 -1.46 0.00 0.00 42.92 39.54 1pbq s ASP 161 CO 0.24 -0.93 1.67 -0.65 0.52 0.00 0.00 175.17 176.02 1pbq h PRO 162 N 2.78 0.26 0.00 4.34 0.11 -1.94 -0.13 132.00 137.42 1pbq h PRO 162 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1pbq h PRO 162 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1pbq h PRO 162 CO 0.63 0.17 0.00 0.54 -0.21 0.00 0.00 178.00 179.13 1pbq n ARG 163 N -5.17 0.04 -0.13 1.05 1.74 -1.26 -0.70 116.66 112.23 1pbq n ARG 163 Ca 0.17 0.34 -0.24 0.00 -0.77 0.00 0.00 57.85 57.35 1pbq n ARG 163 Cb 0.54 -1.59 -0.11 0.00 -1.02 0.00 0.00 32.46 30.28 1pbq n ARG 163 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1pbq n LEU 164 N -1.68 2.49 0.20 0.55 4.32 -0.19 -4.37 117.00 118.32 1pbq n LEU 164 Ca 0.02 0.09 0.03 0.00 -0.02 0.00 0.00 56.01 56.14 1pbq n LEU 164 Cb 0.15 -0.87 0.40 0.00 -1.62 0.00 0.00 43.42 41.47 1pbq n LEU 164 CO 0.12 0.76 0.76 0.03 -1.22 0.00 0.00 177.39 177.85 1pbq h ARG 165 N -0.48 0.00 -2.95 3.23 -0.00 -1.02 -3.35 114.38 109.81 1pbq h ARG 165 Ca -0.64 0.00 -0.61 0.00 -0.50 0.00 0.00 59.98 58.23 1pbq h ARG 165 Cb 1.76 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 31.33 1pbq h ARG 165 CO -0.25 0.33 -0.69 -0.80 0.00 0.00 0.00 179.97 178.57 1pbq s ASN 166 N -6.90 3.88 0.52 7.04 -0.87 0.12 -4.81 114.94 113.92 1pbq s ASN 166 Ca -0.03 -3.42 -0.22 0.00 -1.57 0.00 0.00 52.86 47.62 1pbq s ASN 166 Cb 0.14 -1.29 -0.07 0.00 -0.02 0.00 0.00 41.25 40.02 1pbq s ASN 166 CO 0.71 -0.14 1.23 -2.65 -2.57 0.00 0.00 177.10 173.68 1pbq n PRO 167 N 2.50 1.56 -3.51 -0.60 -0.02 -1.26 -4.68 135.00 128.99 1pbq n PRO 167 Ca 0.19 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 62.12 1pbq n PRO 167 Cb 0.37 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 1pbq n PRO 167 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1pbq s SER 168 N -0.87 -0.46 0.28 2.55 1.04 -1.26 -5.02 113.70 109.95 1pbq s SER 168 Ca 0.69 0.25 0.17 0.00 0.48 0.00 0.00 55.95 57.54 1pbq s SER 168 Cb -0.45 0.43 0.94 0.00 0.10 0.00 0.00 66.02 67.05 1pbq s SER 168 CO 0.52 -0.61 1.51 0.47 0.98 0.00 0.00 173.24 176.10 1pbq n ASP 169 N 0.21 0.45 0.17 7.02 8.00 -1.26 -2.35 116.55 128.79 1pbq n ASP 169 Ca -0.13 0.69 0.03 0.00 0.71 0.00 0.00 54.79 56.09 1pbq n ASP 169 Cb 0.60 -0.73 0.31 0.00 -0.02 0.00 0.00 41.12 41.29 1pbq n ASP 169 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1pbq h LYS 170 N 0.00 0.00 -3.24 -1.24 1.57 -2.00 -3.39 116.57 108.26 1pbq h LYS 170 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1pbq h LYS 170 Cb 0.11 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.02 1pbq h LYS 170 CO 0.00 0.44 -0.77 0.12 -0.57 0.00 0.00 179.45 178.68 1pbq s PHE 171 N -3.85 1.16 -0.18 -1.35 5.36 -0.99 -5.09 117.98 113.04 1pbq s PHE 171 Ca -0.02 -1.41 -0.24 0.00 -0.96 0.00 0.00 56.93 54.30 1pbq s PHE 171 Cb 0.13 -1.39 -0.02 0.00 -0.34 0.00 0.00 43.02 41.40 1pbq s PHE 171 CO 0.72 -0.86 0.78 0.42 -1.46 0.00 0.00 175.22 174.82 1pbq s ILE 172 N 1.78 4.91 0.15 3.12 1.01 -1.26 -4.58 121.20 126.34 1pbq s ILE 172 Ca 0.10 1.51 0.07 0.00 0.00 0.00 0.00 60.65 62.32 1pbq s ILE 172 Cb -0.17 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 1pbq s ILE 172 CO -0.29 0.04 -0.15 -0.72 0.00 0.00 0.00 174.94 173.81 1pbq s TYR 173 N 2.15 1.57 0.15 3.97 1.13 -1.26 -1.14 117.35 123.92 1pbq s TYR 173 Ca 0.35 -0.54 -0.22 0.00 -1.41 0.00 0.00 57.07 55.25 1pbq s TYR 173 Cb -0.16 -0.79 0.08 0.00 -1.10 0.00 0.00 41.96 39.98 1pbq s TYR 173 CO 0.11 0.23 1.06 0.00 -2.51 0.00 0.00 175.55 174.44 1pbq n ALA 174 N 0.29 -2.81 -3.00 9.51 0.00 -0.62 -4.43 120.51 119.45 1pbq n ALA 174 Ca -0.13 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1pbq n ALA 174 Cb 0.58 0.49 0.00 0.00 0.00 0.00 0.00 19.45 20.52 1pbq n ALA 174 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1pbq n THR 175 N -0.75 0.00 -3.45 0.00 5.66 -1.26 -1.43 114.28 113.05 1pbq n THR 175 Ca -0.01 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.62 1pbq n THR 175 Cb 0.57 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.28 1pbq n THR 175 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1pbq s VAL 176 N -1.46 5.25 0.24 1.08 1.01 -1.26 -1.14 120.40 124.12 1pbq s VAL 176 Ca 0.00 0.66 -0.31 0.00 0.00 0.00 0.00 61.98 62.33 1pbq s VAL 176 Cb 0.00 -3.69 -0.13 0.00 0.00 0.00 0.00 36.38 32.55 1pbq s VAL 176 CO 0.00 0.33 1.38 2.29 0.00 0.00 0.00 175.10 179.10 1pbq n LYS 177 N 3.95 1.97 -1.54 2.72 0.00 0.19 -2.02 118.16 123.43 1pbq n LYS 177 Ca -0.10 0.70 -0.19 0.00 -0.00 0.00 0.00 58.31 58.73 1pbq n LYS 177 Cb 0.52 -2.34 -0.08 0.00 -0.00 0.00 0.00 35.03 33.12 1pbq n LYS 177 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1pbq n GLN 178 N 1.94 -1.40 -2.30 -1.58 1.13 -1.26 -4.97 117.38 108.94 1pbq n GLN 178 Ca 0.11 1.16 -0.25 0.00 -1.94 0.00 0.00 57.00 56.09 1pbq n GLN 178 Cb 0.31 -5.50 0.07 0.00 0.11 0.00 0.00 30.24 25.23 1pbq n GLN 178 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1pbq s SER 179 N -2.75 4.86 0.38 1.08 1.04 -0.85 -4.85 113.70 112.60 1pbq s SER 179 Ca 0.00 0.32 0.07 0.00 0.48 0.00 0.00 55.95 56.82 1pbq s SER 179 Cb 0.00 -1.00 0.80 0.00 0.10 0.00 0.00 66.02 65.92 1pbq s SER 179 CO 0.00 -1.54 1.99 -1.28 0.98 0.00 0.00 173.24 173.40 1pbq h SER 180 N -0.48 0.58 -0.18 7.02 0.87 -1.94 -0.35 113.55 119.08 1pbq h SER 180 Ca -0.44 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.07 1pbq h SER 180 Cb 1.31 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1pbq h SER 180 CO 0.57 0.39 -0.07 0.58 -0.53 0.00 0.00 176.83 177.77 1pbq h VAL 181 N 0.67 1.30 -0.42 2.23 2.07 -1.93 -1.35 116.25 118.82 1pbq h VAL 181 Ca 0.26 -1.10 0.03 0.00 0.82 0.00 0.00 66.70 66.70 1pbq h VAL 181 Cb 0.19 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1pbq h VAL 181 CO -0.08 0.33 0.22 -0.78 0.02 0.00 0.00 177.57 177.29 1pbq h ASP 182 N 0.05 0.34 -0.44 0.57 3.58 -1.60 -0.73 116.42 118.20 1pbq h ASP 182 Ca 0.04 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.44 1pbq h ASP 182 Cb 0.54 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 1pbq h ASP 182 CO 0.02 0.25 0.06 0.40 -2.88 0.00 0.00 179.24 177.09 1pbq h ILE 183 N 0.45 1.23 -0.30 2.25 2.04 -1.06 -1.32 117.51 120.80 1pbq h ILE 183 Ca 0.17 -0.91 -0.07 0.00 1.00 0.00 0.00 64.86 65.06 1pbq h ILE 183 Cb 0.05 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1pbq h ILE 183 CO -0.10 0.33 -0.07 0.22 0.00 0.00 0.00 178.15 178.52 1pbq h TYR 184 N 0.76 0.65 -0.28 1.37 3.20 -0.72 -2.43 116.97 119.52 1pbq h TYR 184 Ca 0.16 -0.14 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 1pbq h TYR 184 Cb 0.37 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1pbq h TYR 184 CO 0.02 0.77 -0.18 0.74 -1.64 0.00 0.00 178.16 177.86 1pbq h PHE 185 N 0.35 0.56 -0.24 -3.82 -1.00 -0.95 -2.74 116.94 109.09 1pbq h PHE 185 Ca 0.08 -0.10 -0.07 0.00 2.81 0.00 0.00 57.97 60.69 1pbq h PHE 185 Cb 0.56 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 1pbq h PHE 185 CO 0.05 0.67 -0.13 -0.09 -1.61 0.00 0.00 178.31 177.19 1pbq h ARG 186 N 0.46 0.41 0.00 1.51 2.43 -1.11 -3.05 114.38 115.02 1pbq h ARG 186 Ca 0.08 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1pbq h ARG 186 Cb 0.58 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1pbq h ARG 186 CO 0.04 0.54 -0.44 0.54 -1.51 0.00 0.00 179.97 179.14 1pbq n ARG 187 N -4.22 0.22 -3.04 0.20 1.74 -0.93 -4.79 116.66 105.83 1pbq n ARG 187 Ca 0.00 0.09 -0.42 0.00 -0.77 0.00 0.00 57.85 56.75 1pbq n ARG 187 Cb 0.31 -1.66 -0.06 0.00 -1.02 0.00 0.00 32.46 30.03 1pbq n ARG 187 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1pbq s GLN 188 N -3.11 3.56 0.33 5.56 0.00 -1.06 -4.91 119.66 120.02 1pbq s GLN 188 Ca 0.08 -0.00 0.01 0.00 -0.00 0.00 0.00 55.36 55.45 1pbq s GLN 188 Cb 0.14 -3.86 0.55 0.00 0.00 0.00 0.00 33.01 29.84 1pbq s GLN 188 CO 0.68 -0.90 1.95 -0.39 0.00 0.00 0.00 175.29 176.63 1pbq h VAL 189 N 5.80 1.19 0.00 3.63 -1.51 -1.87 -1.31 116.25 122.19 1pbq h VAL 189 Ca -0.25 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1pbq h VAL 189 Cb 1.10 0.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 1pbq h VAL 189 CO 0.89 0.21 0.00 1.05 -1.23 0.00 0.00 177.57 178.49 1pbq h GLU 190 N 0.85 0.00 -0.40 5.19 4.11 -1.95 -2.59 114.58 119.79 1pbq h GLU 190 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 1pbq h GLU 190 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1pbq h GLU 190 CO -0.04 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.32 1pbq n LEU 191 N -2.53 3.19 -0.33 3.06 4.77 -0.50 -4.68 117.00 119.98 1pbq n LEU 191 Ca -0.00 -2.08 0.14 0.00 -0.03 0.00 0.00 56.01 54.03 1pbq n LEU 191 Cb 0.16 -0.30 0.33 0.00 -2.33 0.00 0.00 43.42 41.27 1pbq n LEU 191 CO 0.18 0.76 1.12 0.28 -1.33 0.00 0.00 177.39 178.40 1pbq h SER 192 N 2.38 0.56 -0.18 -1.43 0.02 -1.36 0.45 113.55 113.98 1pbq h SER 192 Ca 0.00 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1pbq h SER 192 Cb 0.84 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1pbq h SER 192 CO 0.02 0.11 0.09 0.74 -1.14 0.00 0.00 176.83 176.66 1pbq h THR 193 N 0.55 1.11 -0.35 -2.27 2.02 -1.85 -1.91 112.91 110.21 1pbq h THR 193 Ca 0.58 -0.30 -0.11 0.00 0.77 0.00 0.00 66.41 67.35 1pbq h THR 193 Cb 1.04 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1pbq h THR 193 CO -0.46 0.10 -0.23 0.24 0.37 0.00 0.00 175.52 175.53 1pbq h MET 194 N 0.18 0.69 -0.40 6.66 2.07 -1.54 -3.12 114.93 119.47 1pbq h MET 194 Ca 0.06 -0.28 -0.08 0.00 -2.07 0.00 0.00 59.70 57.33 1pbq h MET 194 Cb 0.08 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 29.76 1pbq h MET 194 CO -0.01 0.87 -0.10 -0.92 1.07 0.00 0.00 176.91 177.82 1pbq h TYR 195 N 0.61 0.75 -0.18 -0.22 5.03 -0.77 -0.65 116.97 121.54 1pbq h TYR 195 Ca 0.08 -0.13 -0.06 0.00 2.58 0.00 0.00 58.73 61.21 1pbq h TYR 195 Cb 0.72 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.79 1pbq h TYR 195 CO 0.03 0.76 -0.16 0.00 -1.32 0.00 0.00 178.16 177.48 1pbq h ARG 196 N 0.63 0.30 0.01 1.82 2.47 -1.29 0.14 114.38 118.46 1pbq h ARG 196 Ca 0.11 -0.08 -0.09 0.00 -1.26 0.00 0.00 59.98 58.67 1pbq h ARG 196 Cb 0.54 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.83 1pbq h ARG 196 CO 0.03 0.46 -0.35 1.25 0.56 0.00 0.00 179.97 181.92 1pbq h HIS 197 N 0.28 0.33 -0.46 3.04 -0.00 -1.47 -3.32 115.15 113.56 1pbq h HIS 197 Ca 0.05 -0.19 0.01 0.00 -0.00 0.00 0.00 60.37 60.24 1pbq h HIS 197 Cb 0.45 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.80 1pbq h HIS 197 CO 0.01 1.02 0.30 0.52 -0.00 0.00 0.00 177.93 179.77 1pbq h MET 198 N -0.44 0.58 -0.43 5.26 2.86 -0.88 -2.16 114.93 119.72 1pbq h MET 198 Ca -0.05 -0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.68 1pbq h MET 198 Cb 1.12 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.63 1pbq h MET 198 CO 0.07 0.39 0.39 0.93 1.06 0.00 0.00 176.91 179.74 1pbq h GLU 199 N 0.60 0.00 0.00 1.72 5.08 -1.10 0.31 114.58 121.20 1pbq h GLU 199 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1pbq h GLU 199 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1pbq h GLU 199 CO -0.05 0.00 -0.05 0.87 -1.00 0.00 0.00 179.01 178.78 1pbq h LYS 200 N 0.00 0.00 0.00 2.33 1.57 -1.48 -3.36 116.57 115.62 1pbq h LYS 200 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1pbq h LYS 200 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1pbq h LYS 200 CO -0.00 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.60 1pbq n HIS 201 N -2.42 0.00 -1.57 -1.35 8.25 0.83 -5.09 115.22 113.87 1pbq n HIS 201 Ca 0.05 -0.03 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 1pbq n HIS 201 Cb 0.45 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.59 1pbq n HIS 201 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1pbq n ASN 202 N -0.03 0.36 -4.87 0.41 5.03 0.39 -4.80 115.26 111.74 1pbq n ASN 202 Ca 0.00 0.86 -0.21 0.00 0.87 0.00 0.00 54.58 56.10 1pbq n ASN 202 Cb 0.13 -1.31 -0.03 0.00 -1.02 0.00 0.00 39.78 37.55 1pbq n ASN 202 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1pbq s TYR 203 N -1.49 3.05 0.30 3.10 1.51 -0.29 -4.76 117.35 118.77 1pbq s TYR 203 Ca 0.69 -0.19 0.10 0.00 -1.01 0.00 0.00 57.07 56.66 1pbq s TYR 203 Cb -0.48 -1.65 0.47 0.00 -0.11 0.00 0.00 41.96 40.19 1pbq s TYR 203 CO 0.53 0.31 1.69 0.93 -1.11 0.00 0.00 175.55 177.89 1pbq h GLU 204 N 1.29 0.06 -3.60 -0.62 4.39 -1.93 0.55 114.58 114.74 1pbq h GLU 204 Ca -0.47 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.13 1pbq h GLU 204 Cb 1.25 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.76 1pbq h GLU 204 CO 0.59 0.56 -0.21 -1.54 -1.16 0.00 0.00 179.01 177.24 1pbq s SER 205 N -6.89 -0.06 0.23 1.42 1.04 -1.26 -4.74 113.70 103.44 1pbq s SER 205 Ca -0.03 -0.49 -0.05 0.00 0.48 0.00 0.00 55.95 55.86 1pbq s SER 205 Cb 0.13 0.41 0.22 0.00 0.10 0.00 0.00 66.02 66.88 1pbq s SER 205 CO 0.76 -0.80 1.72 0.00 0.98 0.00 0.00 173.24 175.90 1pbq h ALA 206 N 2.54 1.00 -0.38 5.32 0.00 -1.96 -2.36 119.26 123.42 1pbq h ALA 206 Ca -0.34 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.35 1pbq h ALA 206 Cb 1.23 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1pbq h ALA 206 CO 0.51 0.62 0.12 0.00 0.00 0.00 0.00 179.25 180.51 1pbq h ALA 207 N 1.15 0.44 -0.42 0.00 0.00 -1.99 0.31 119.26 118.75 1pbq h ALA 207 Ca 0.17 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1pbq h ALA 207 Cb 0.45 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1pbq h ALA 207 CO 0.02 -0.27 0.01 0.93 0.00 0.00 0.00 179.25 179.93 1pbq h GLU 208 N 0.27 0.67 -0.16 0.00 5.08 -1.93 -1.60 114.58 116.91 1pbq h GLU 208 Ca 0.17 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1pbq h GLU 208 Cb 0.16 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1pbq h GLU 208 CO -0.19 0.68 -0.06 0.00 -1.00 0.00 0.00 179.01 178.45 1pbq h ALA 209 N 1.38 0.22 -0.67 3.43 0.00 -0.85 -0.76 119.26 122.00 1pbq h ALA 209 Ca 0.13 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1pbq h ALA 209 Cb 0.39 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1pbq h ALA 209 CO 0.01 0.00 0.42 0.82 0.00 0.00 0.00 179.25 180.50 1pbq h ILE 210 N 0.00 1.08 -0.50 0.00 2.04 -0.80 -1.63 117.51 117.70 1pbq h ILE 210 Ca 0.04 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 1pbq h ILE 210 Cb 0.51 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1pbq h ILE 210 CO 0.02 0.15 0.04 -0.61 0.00 0.00 0.00 178.15 177.75 1pbq h GLN 211 N 0.81 0.80 -0.14 2.37 5.75 -1.20 -2.29 115.11 121.22 1pbq h GLN 211 Ca 0.27 -0.20 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1pbq h GLN 211 Cb 0.03 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 1pbq h GLN 211 CO -0.11 0.78 -0.08 0.00 -2.65 0.00 0.00 178.83 176.77 1pbq h ALA 212 N 1.28 1.60 -0.18 3.38 0.00 -0.23 0.18 119.26 125.30 1pbq h ALA 212 Ca 0.15 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1pbq h ALA 212 Cb 0.40 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1pbq h ALA 212 CO 0.01 0.29 -0.58 0.28 0.00 0.00 0.00 179.25 179.25 1pbq h VAL 213 N 0.21 1.31 -0.53 0.00 2.07 -0.82 0.18 116.25 118.66 1pbq h VAL 213 Ca 0.05 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 65.73 1pbq h VAL 213 Cb 0.28 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1pbq h VAL 213 CO 0.01 0.57 0.21 0.03 0.02 0.00 0.00 177.57 178.41 1pbq h ARG 214 N 0.42 0.77 -0.30 1.57 3.08 -0.90 -2.14 114.38 116.88 1pbq h ARG 214 Ca -0.02 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1pbq h ARG 214 Cb 1.20 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1pbq h ARG 214 CO 0.12 0.64 0.00 -0.25 -1.07 0.00 0.00 179.97 179.41 1pbq n ASP 215 N -4.34 1.64 -2.34 7.04 8.00 -0.01 -4.93 116.55 121.62 1pbq n ASP 215 Ca 0.04 -1.97 -0.20 0.00 0.71 0.00 0.00 54.79 53.37 1pbq n ASP 215 Cb 0.16 -0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.06 1pbq n ASP 215 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1pbq n ASN 216 N 0.39 -5.80 -0.05 -2.24 3.02 -0.81 -4.87 115.26 104.91 1pbq n ASN 216 Ca 0.11 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1pbq n ASN 216 Cb 0.26 -4.80 -0.14 0.00 -0.61 0.00 0.00 39.78 34.49 1pbq n ASN 216 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pbq n LYS 217 N -2.99 0.85 -4.53 3.52 5.02 0.57 -4.86 118.16 115.73 1pbq n LYS 217 Ca -0.24 -0.09 -0.29 0.00 -2.02 0.00 0.00 58.31 55.68 1pbq n LYS 217 Cb 0.68 -1.45 -0.17 0.00 -0.02 0.00 0.00 35.03 34.07 1pbq n LYS 217 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1pbq s LEU 218 N -4.82 1.77 0.07 -0.35 2.96 -0.77 -4.97 118.68 112.58 1pbq s LEU 218 Ca -0.08 -0.44 0.11 0.00 -0.22 0.00 0.00 54.13 53.50 1pbq s LEU 218 Cb 0.09 -1.12 -0.18 0.00 0.50 0.00 0.00 46.19 45.48 1pbq s LEU 218 CO 0.76 0.03 1.03 0.45 -1.32 0.00 0.00 176.35 177.30 1pbq h HIS 219 N 7.33 0.00 -2.87 5.38 3.86 -1.45 -3.32 115.15 124.09 1pbq h HIS 219 Ca -0.30 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 58.76 1pbq h HIS 219 Cb 1.18 0.00 -0.27 0.00 1.06 0.00 0.00 27.41 29.38 1pbq h HIS 219 CO 0.48 0.91 -0.37 0.00 0.86 0.00 0.00 177.93 179.81 1pbq s ALA 220 N -2.71 -0.81 -0.19 2.45 0.00 -0.86 -4.41 121.76 115.23 1pbq s ALA 220 Ca -0.01 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 1pbq s ALA 220 Cb 0.09 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.52 1pbq s ALA 220 CO 0.81 -0.21 -0.15 0.12 0.00 0.00 0.00 175.76 176.34 1pbq s PHE 221 N 0.93 2.85 -0.22 0.00 5.36 -0.37 -1.59 117.98 124.94 1pbq s PHE 221 Ca -0.06 -1.43 -0.17 0.00 -0.96 0.00 0.00 56.93 54.31 1pbq s PHE 221 Cb -0.07 -1.98 -0.04 0.00 -0.34 0.00 0.00 43.02 40.60 1pbq s PHE 221 CO -0.07 -0.73 0.44 0.42 -1.46 0.00 0.00 175.22 173.82 1pbq s ILE 222 N 1.35 5.15 0.25 3.12 1.01 -0.51 -0.96 121.20 130.60 1pbq s ILE 222 Ca 0.05 0.77 -0.20 0.00 0.00 0.00 0.00 60.65 61.27 1pbq s ILE 222 Cb -0.14 -3.76 0.07 0.00 0.01 0.00 0.00 42.46 38.64 1pbq s ILE 222 CO -0.10 0.19 0.96 1.87 0.00 0.00 0.00 174.94 177.87 1pbq n TRP 223 N 4.85 -1.67 -1.64 3.97 -0.00 -1.07 -4.59 117.44 117.29 1pbq n TRP 223 Ca -0.07 -1.45 -0.46 0.00 -0.00 0.00 0.00 57.50 55.52 1pbq n TRP 223 Cb 0.51 0.72 -0.03 0.00 -0.00 0.00 0.00 31.31 32.50 1pbq n TRP 223 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1pbq n ASP 224 N -1.37 2.30 -0.25 5.87 -0.08 -1.26 -1.92 116.55 119.83 1pbq n ASP 224 Ca -0.04 1.15 -0.07 0.00 -1.51 0.00 0.00 54.79 54.32 1pbq n ASP 224 Cb 0.59 -1.37 0.05 0.00 2.34 0.00 0.00 41.12 42.73 1pbq n ASP 224 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1pbq h SER 225 N 3.83 0.98 -0.23 1.67 4.64 -1.41 -1.87 113.55 121.16 1pbq h SER 225 Ca -0.44 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 60.67 1pbq h SER 225 Cb 1.30 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1pbq h SER 225 CO 0.73 0.91 0.07 0.00 -0.87 0.00 0.00 176.83 177.67 1pbq h ALA 226 N 1.11 0.31 -0.22 5.18 0.00 -1.91 -0.91 119.26 122.83 1pbq h ALA 226 Ca 0.23 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1pbq h ALA 226 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1pbq h ALA 226 CO -0.01 -0.06 0.07 0.28 0.00 0.00 0.00 179.25 179.53 1pbq h VAL 227 N 0.21 0.94 -0.56 0.00 2.07 -1.85 -0.63 116.25 116.42 1pbq h VAL 227 Ca 0.07 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 1pbq h VAL 227 Cb 0.25 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1pbq h VAL 227 CO -0.00 0.03 0.04 -0.07 0.02 0.00 0.00 177.57 177.58 1pbq h LEU 228 N 0.17 0.90 -0.92 2.57 3.38 -1.24 -0.77 115.31 119.40 1pbq h LEU 228 Ca 0.09 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1pbq h LEU 228 Cb 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1pbq h LEU 228 CO -0.10 0.94 -0.19 -0.33 0.09 0.00 0.00 178.44 178.85 1pbq h GLU 229 N 0.87 0.58 0.01 1.13 5.08 -0.95 0.10 114.58 121.40 1pbq h GLU 229 Ca 0.17 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1pbq h GLU 229 Cb 0.46 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1pbq h GLU 229 CO 0.02 0.74 -0.00 0.35 -1.00 0.00 0.00 179.01 179.12 1pbq h PHE 230 N 0.52 -0.01 -0.42 4.33 3.57 -0.67 -0.65 116.94 123.62 1pbq h PHE 230 Ca 0.08 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1pbq h PHE 230 Cb 0.62 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1pbq h PHE 230 CO 0.02 0.03 0.26 0.93 -2.23 0.00 0.00 178.31 177.33 1pbq h GLU 231 N -0.04 0.57 -0.16 1.11 4.39 -0.78 -2.78 114.58 116.89 1pbq h GLU 231 Ca -0.00 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 1pbq h GLU 231 Cb 0.04 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1pbq h GLU 231 CO 0.00 0.41 -0.15 0.00 -1.16 0.00 0.00 179.01 178.11 1pbq h ALA 232 N 1.13 1.45 0.00 3.43 0.00 -0.82 -1.52 119.26 122.93 1pbq h ALA 232 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pbq h ALA 232 Cb -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1pbq h ALA 232 CO -0.03 0.39 0.00 0.66 0.00 0.00 0.00 179.25 180.27 1pbq h SER 233 N 0.24 0.00 0.00 0.00 4.64 -0.83 -3.18 113.55 114.43 1pbq h SER 233 Ca 0.05 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1pbq h SER 233 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1pbq h SER 233 CO 0.03 0.00 -1.69 0.00 -0.87 0.00 0.00 176.83 174.30 1pbq n GLN 234 N -2.89 0.60 -4.01 4.77 6.02 -0.97 -3.33 117.38 117.57 1pbq n GLN 234 Ca 0.01 -0.12 -0.32 0.00 -0.01 0.00 0.00 57.00 56.56 1pbq n GLN 234 Cb 0.29 -1.34 -0.15 0.00 1.02 0.00 0.00 30.24 30.06 1pbq n GLN 234 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1pbq s LYS 235 N -2.92 1.96 0.43 -1.09 1.02 -0.61 -4.71 119.74 113.83 1pbq s LYS 235 Ca -0.05 -1.57 0.19 0.00 0.02 0.00 0.00 55.97 54.55 1pbq s LYS 235 Cb 0.09 -3.09 1.13 0.00 -0.52 0.00 0.00 37.83 35.43 1pbq s LYS 235 CO 0.59 -0.75 1.86 0.00 -0.92 0.00 0.00 175.35 176.14 1pbq n ASP 237 N -4.48 0.00 -4.35 0.00 5.75 -1.26 -4.78 116.55 107.42 1pbq n ASP 237 Ca 0.19 -0.88 -0.30 0.00 -0.01 0.00 0.00 54.79 53.79 1pbq n ASP 237 Cb 0.71 -0.02 -0.15 0.00 -1.03 0.00 0.00 41.12 40.64 1pbq n ASP 237 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1pbq s LEU 238 N -2.04 2.18 0.05 -2.12 1.43 -0.55 -0.42 118.68 117.21 1pbq s LEU 238 Ca 0.44 -0.60 -0.08 0.00 -1.03 0.00 0.00 54.13 52.86 1pbq s LEU 238 Cb 0.20 -1.29 -0.00 0.00 0.03 0.00 0.00 46.19 45.13 1pbq s LEU 238 CO 0.35 0.26 0.17 0.68 0.23 0.00 0.00 176.35 178.03 1pbq s VAL 239 N -0.82 0.12 0.28 -1.59 -7.23 -0.74 -4.66 120.40 105.75 1pbq s VAL 239 Ca 0.12 -1.00 0.03 0.00 -1.81 0.00 0.00 61.98 59.32 1pbq s VAL 239 Cb -0.10 -0.98 -0.03 0.00 0.56 0.00 0.00 36.38 35.83 1pbq s VAL 239 CO 0.02 -0.55 0.43 0.42 -0.31 0.00 0.00 175.10 175.11 1pbq s THR 240 N -2.79 5.20 0.04 5.32 -4.23 -1.26 -1.61 115.64 116.31 1pbq s THR 240 Ca -0.03 -0.74 -0.18 0.00 -1.18 0.00 0.00 61.69 59.55 1pbq s THR 240 Cb -0.00 -3.85 0.04 0.00 1.34 0.00 0.00 72.50 70.02 1pbq s THR 240 CO -0.05 -0.40 0.41 0.28 -0.54 0.00 0.00 174.62 174.32 1pbq s THR 241 N -2.10 0.05 0.00 3.99 -1.32 -0.13 -4.93 115.64 111.20 1pbq s THR 241 Ca 0.37 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 1pbq s THR 241 Cb -0.09 -0.94 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 1pbq s THR 241 CO 0.32 -0.25 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 1pbq n GLY 242 N 0.55 -1.80 3.80 6.08 0.00 -1.20 -3.58 105.19 109.03 1pbq n GLY 242 Ca -0.19 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 1pbq n GLY 242 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pbq s GLU 243 N -2.40 4.06 0.39 1.61 8.01 -1.21 -4.88 118.70 124.28 1pbq s GLU 243 Ca 0.00 1.33 -0.27 0.00 0.01 0.00 0.00 54.97 56.04 1pbq s GLU 243 Cb 0.00 -2.27 -0.10 0.00 -4.31 0.00 0.00 34.13 27.45 1pbq s GLU 243 CO 0.00 -0.20 1.37 -0.51 0.01 0.00 0.00 175.26 175.93 1pbq s LEU 244 N -3.10 4.28 0.16 1.80 2.01 -1.26 -4.69 118.68 117.88 1pbq s LEU 244 Ca 0.62 2.81 0.02 0.00 0.01 0.00 0.00 54.13 57.59 1pbq s LEU 244 Cb -0.16 -3.79 -0.05 0.00 0.01 0.00 0.00 46.19 42.21 1pbq s LEU 244 CO 0.20 -0.83 -0.01 0.72 1.01 0.00 0.00 176.35 177.44 1pbq s PHE 245 N -1.19 1.16 -1.17 0.29 -0.12 -0.62 -4.85 117.98 111.48 1pbq s PHE 245 Ca 0.55 -1.01 -0.11 0.00 -0.05 0.00 0.00 56.93 56.30 1pbq s PHE 245 Cb -0.41 -0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 41.29 1pbq s PHE 245 CO 0.55 -0.21 0.78 1.19 -0.05 0.00 0.00 175.22 177.48 1pbq n PHE 246 N -0.21 -2.02 -1.66 3.49 3.72 -1.26 -1.02 117.46 118.50 1pbq n PHE 246 Ca -0.07 0.65 -0.31 0.00 -0.05 0.00 0.00 57.45 57.67 1pbq n PHE 246 Cb 0.63 -3.85 0.04 0.00 -0.94 0.00 0.00 39.48 35.36 1pbq n PHE 246 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1pbq s ARG 247 N -5.65 3.11 0.00 -1.08 0.52 -1.26 -4.36 118.95 110.23 1pbq s ARG 247 Ca 0.33 0.92 0.00 0.00 -0.52 0.00 0.00 55.73 56.46 1pbq s ARG 247 Cb -0.09 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.36 1pbq s ARG 247 CO 0.82 -0.96 0.00 0.45 0.02 0.00 0.00 175.30 175.63 1pbq n SER 248 N -3.00 0.36 -3.96 0.23 2.88 -0.21 -4.95 113.62 104.97 1pbq n SER 248 Ca 0.07 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.52 1pbq n SER 248 Cb 0.54 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.95 1pbq n SER 248 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1pbq s GLY 249 N 0.00 0.45 -0.11 0.46 0.00 -1.26 -0.02 107.32 106.83 1pbq s GLY 249 Ca 0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 44.72 43.90 1pbq s GLY 249 CO 0.00 -0.54 -0.04 -1.36 0.00 0.00 0.00 173.10 171.16 1pbq s PHE 250 N -3.97 3.03 0.12 1.90 0.08 0.23 -0.95 117.98 118.41 1pbq s PHE 250 Ca 0.21 -0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.15 1pbq s PHE 250 Cb -0.02 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.55 1pbq s PHE 250 CO 0.09 0.18 0.05 0.20 -0.10 0.00 0.00 175.22 175.64 1pbq s GLY 251 N -0.25 0.93 0.16 4.36 0.00 -1.01 -1.05 107.32 110.47 1pbq s GLY 251 Ca 0.04 -1.44 -0.30 0.00 0.00 0.00 0.00 44.72 43.02 1pbq s GLY 251 CO 0.02 -1.35 0.97 -0.42 0.00 0.00 0.00 173.10 172.32 1pbq s ILE 252 N -4.03 4.30 -0.16 0.90 -1.09 -1.26 -4.30 121.20 115.56 1pbq s ILE 252 Ca 0.22 2.03 -0.08 0.00 -2.23 0.00 0.00 60.65 60.59 1pbq s ILE 252 Cb 0.07 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.62 1pbq s ILE 252 CO 0.00 0.37 0.11 -0.83 -1.23 0.00 0.00 174.94 173.36 1pbq s GLY 253 N -0.37 2.04 0.06 6.18 0.00 -0.61 -1.97 107.32 112.65 1pbq s GLY 253 Ca 0.45 -0.69 -0.09 0.00 0.00 0.00 0.00 44.72 44.39 1pbq s GLY 253 CO 0.31 -0.12 0.18 1.06 0.00 0.00 0.00 173.10 174.53 1pbq s MET 254 N -0.23 0.75 0.70 2.90 -1.94 -0.67 0.04 119.30 120.84 1pbq s MET 254 Ca 0.10 -0.80 -0.14 0.00 -1.71 0.00 0.00 55.69 53.14 1pbq s MET 254 Cb -0.12 0.31 0.02 0.00 2.01 0.00 0.00 34.83 37.05 1pbq s MET 254 CO 0.01 -0.22 1.14 1.03 -0.01 0.00 0.00 175.02 176.97 1pbq s ARG 255 N -3.17 2.46 0.38 2.03 0.52 -1.26 -0.11 118.95 119.80 1pbq s ARG 255 Ca -0.00 1.50 0.08 0.00 -0.52 0.00 0.00 55.73 56.79 1pbq s ARG 255 Cb 0.02 -1.90 0.83 0.00 0.52 0.00 0.00 34.95 34.42 1pbq s ARG 255 CO -0.07 -1.53 1.96 0.87 0.02 0.00 0.00 175.30 176.55 1pbq h LYS 256 N -0.25 0.63 -0.91 3.54 1.57 -1.87 -2.24 116.57 117.03 1pbq h LYS 256 Ca -0.47 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.09 1pbq h LYS 256 Cb 1.26 -0.14 -0.11 0.00 0.08 0.00 0.00 32.23 33.32 1pbq h LYS 256 CO 0.52 0.41 0.23 -0.25 -0.57 0.00 0.00 179.45 179.79 1pbq n ASP 257 N -4.48 3.52 -4.77 0.86 10.43 -1.26 -4.95 116.55 115.90 1pbq n ASP 257 Ca 0.10 -2.76 -0.40 0.00 2.57 0.00 0.00 54.79 54.31 1pbq n ASP 257 Cb 0.28 -0.66 -0.03 0.00 1.84 0.00 0.00 41.12 42.54 1pbq n ASP 257 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1pbq s SER 258 N -0.34 6.97 0.14 -2.24 0.15 -0.84 -4.96 113.70 112.57 1pbq s SER 258 Ca 0.32 2.33 0.26 0.00 0.70 0.00 0.00 55.95 59.56 1pbq s SER 258 Cb 0.26 -2.62 0.72 0.00 -1.71 0.00 0.00 66.02 62.66 1pbq s SER 258 CO 0.07 -0.36 1.64 -2.65 1.20 0.00 0.00 173.24 173.14 1pbq n PRO 259 N 0.75 0.21 0.00 5.44 -0.02 -1.26 -3.66 135.00 136.46 1pbq n PRO 259 Ca 0.01 0.13 0.12 0.00 -2.02 0.00 0.00 63.50 61.74 1pbq n PRO 259 Cb 0.45 -1.70 0.19 0.00 -0.02 0.00 0.00 33.50 32.42 1pbq n PRO 259 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1pbq n TRP 260 N -2.05 0.00 0.00 6.00 7.02 -1.26 -4.69 117.44 122.47 1pbq n TRP 260 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 1pbq n TRP 260 Cb 0.41 -0.04 0.00 0.00 -2.42 0.00 0.00 31.31 29.26 1pbq n TRP 260 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1pbq n LYS 261 N -0.04 0.00 -0.32 -0.99 5.02 -1.24 -0.49 118.16 120.10 1pbq n LYS 261 Ca 0.12 0.78 0.04 0.00 -2.02 0.00 0.00 58.31 57.23 1pbq n LYS 261 Cb 0.43 -1.30 0.23 0.00 -0.02 0.00 0.00 35.03 34.37 1pbq n LYS 261 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 1pbq h GLN 262 N 0.00 1.03 -0.37 1.97 -0.00 -1.88 -2.57 115.11 113.29 1pbq h GLN 262 Ca 0.00 -0.06 -0.09 0.00 -0.00 0.00 0.00 58.65 58.50 1pbq h GLN 262 Cb 0.00 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.48 27.23 1pbq h GLN 262 CO 0.00 0.68 -0.14 -0.91 -0.00 0.00 0.00 178.83 178.46 1pbq h ASN 263 N 1.06 0.65 -0.41 0.06 -0.26 -1.76 -1.45 115.58 113.48 1pbq h ASN 263 Ca 0.40 -0.19 -0.04 0.00 -0.56 0.00 0.00 56.30 55.91 1pbq h ASN 263 Cb 0.20 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 1pbq h ASN 263 CO -0.15 0.81 0.09 0.58 -1.06 0.00 0.00 177.43 177.70 1pbq h VAL 264 N 0.60 1.23 -0.36 2.81 2.07 -0.38 -2.35 116.25 119.87 1pbq h VAL 264 Ca 0.10 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1pbq h VAL 264 Cb 0.59 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1pbq h VAL 264 CO 0.04 0.28 -0.04 0.28 0.02 0.00 0.00 177.57 178.15 1pbq h SER 265 N 0.53 0.66 -0.82 0.57 0.02 -1.38 -1.72 113.55 111.41 1pbq h SER 265 Ca 0.13 -0.34 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 1pbq h SER 265 Cb 0.32 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.64 1pbq h SER 265 CO 0.00 0.84 0.54 -0.07 -1.14 0.00 0.00 176.83 177.00 1pbq h LEU 266 N 0.47 0.84 -0.29 5.07 3.38 -1.22 -0.43 115.31 123.14 1pbq h LEU 266 Ca 0.10 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1pbq h LEU 266 Cb 0.52 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1pbq h LEU 266 CO 0.03 0.57 -0.29 -1.28 0.09 0.00 0.00 178.44 177.55 1pbq h SER 267 N 0.97 0.76 -0.72 -0.43 0.87 -1.24 -2.47 113.55 111.29 1pbq h SER 267 Ca 0.33 -0.47 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 1pbq h SER 267 Cb 0.10 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 1pbq h SER 267 CO -0.11 1.08 0.33 0.40 -0.53 0.00 0.00 176.83 178.00 1pbq h ILE 268 N 0.45 1.24 -0.71 2.23 2.04 -0.66 -1.13 117.51 120.97 1pbq h ILE 268 Ca 0.04 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 1pbq h ILE 268 Cb 0.87 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1pbq h ILE 268 CO 0.07 0.29 0.36 -0.07 0.00 0.00 0.00 178.15 178.80 1pbq h LEU 269 N 1.01 0.91 -0.80 1.44 3.38 -1.06 -1.36 115.31 118.83 1pbq h LEU 269 Ca 0.25 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1pbq h LEU 269 Cb 0.15 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1pbq h LEU 269 CO -0.03 0.77 0.26 0.11 0.09 0.00 0.00 178.44 179.65 1pbq h LYS 270 N 0.98 1.15 0.00 1.13 1.57 -1.06 -1.25 116.57 119.09 1pbq h LYS 270 Ca 0.25 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1pbq h LYS 270 Cb 0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1pbq h LYS 270 CO -0.03 0.96 -0.31 0.77 -0.57 0.00 0.00 179.45 180.26 1pbq h SER 271 N 1.11 0.00 0.00 0.86 0.02 -0.71 -0.79 113.55 114.05 1pbq h SER 271 Ca 0.25 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1pbq h SER 271 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1pbq h SER 271 CO -0.01 0.31 -0.00 0.45 -1.14 0.00 0.00 176.83 176.44 1pbq h HIS 272 N 0.00 -0.00 -0.81 3.45 -0.00 -0.72 -0.99 115.15 116.08 1pbq h HIS 272 Ca -0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.38 1pbq h HIS 272 Cb 0.62 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.99 1pbq h HIS 272 CO 0.00 0.60 0.53 0.93 -0.00 0.00 0.00 177.93 179.99 1pbq h GLU 273 N -0.60 1.04 -0.03 2.45 5.08 -0.96 -2.80 114.58 118.76 1pbq h GLU 273 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1pbq h GLU 273 Cb 0.60 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1pbq h GLU 273 CO 0.00 0.69 0.00 0.27 -1.00 0.00 0.00 179.01 178.97 1pbq n ASN 274 N -4.54 0.71 0.00 1.42 2.04 -0.33 -4.91 115.26 109.65 1pbq n ASN 274 Ca 0.09 -1.33 0.00 0.00 -0.44 0.00 0.00 54.58 52.90 1pbq n ASN 274 Cb 0.04 -0.02 0.00 0.00 -2.53 0.00 0.00 39.78 37.27 1pbq n ASN 274 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1pbq n GLY 275 N 1.04 0.84 0.25 4.83 0.00 -1.06 -4.95 105.19 106.13 1pbq n GLY 275 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 1pbq n GLY 275 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1pbq h PHE 276 N 0.00 0.83 -0.67 1.61 3.57 -1.46 -0.86 116.94 119.96 1pbq h PHE 276 Ca 0.00 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 1pbq h PHE 276 Cb 0.00 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 1pbq h PHE 276 CO 0.00 0.63 0.22 0.52 -2.23 0.00 0.00 178.31 177.45 1pbq h MET 277 N 0.79 1.03 -0.17 1.11 2.86 -1.61 -1.55 114.93 117.38 1pbq h MET 277 Ca 0.20 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 1pbq h MET 277 Cb 0.11 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1pbq h MET 277 CO -0.03 0.87 -0.31 0.93 1.06 0.00 0.00 176.91 179.44 1pbq h GLU 278 N 0.99 0.34 -0.49 1.72 5.08 -1.77 -2.47 114.58 117.99 1pbq h GLU 278 Ca 0.22 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1pbq h GLU 278 Cb 0.27 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1pbq h GLU 278 CO -0.01 0.62 0.25 -0.44 -1.00 0.00 0.00 179.01 178.43 1pbq h ASP 279 N 0.30 0.63 -0.86 1.42 3.32 -0.34 -1.08 116.42 119.80 1pbq h ASP 279 Ca 0.04 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1pbq h ASP 279 Cb 0.70 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 1pbq h ASP 279 CO 0.05 0.56 0.57 -0.07 -1.72 0.00 0.00 179.24 178.63 1pbq h LEU 280 N 0.65 0.99 -0.44 1.55 3.38 -1.00 -0.70 115.31 119.74 1pbq h LEU 280 Ca 0.17 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1pbq h LEU 280 Cb 0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1pbq h LEU 280 CO -0.02 0.72 0.11 -0.78 0.09 0.00 0.00 178.44 178.55 1pbq h ASP 281 N 1.17 0.67 -0.81 -0.43 3.58 -0.98 0.49 116.42 120.12 1pbq h ASP 281 Ca 0.32 -0.23 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 1pbq h ASP 281 Cb -0.14 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 40.70 1pbq h ASP 281 CO -0.07 0.73 0.38 0.11 -2.88 0.00 0.00 179.24 177.51 1pbq h LYS 282 N 0.58 1.17 -0.04 0.28 6.56 -0.61 0.11 116.57 124.62 1pbq h LYS 282 Ca 0.14 -0.18 -0.03 0.00 -1.06 0.00 0.00 60.65 59.52 1pbq h LYS 282 Cb 0.32 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 1pbq h LYS 282 CO 0.00 0.91 -0.10 1.15 -2.06 0.00 0.00 179.45 179.35 1pbq h THR 283 N 1.16 1.45 0.00 -0.16 2.02 -0.85 -3.37 112.91 113.16 1pbq h THR 283 Ca 0.28 -1.49 -0.02 0.00 0.77 0.00 0.00 66.41 65.95 1pbq h THR 283 Cb 0.13 2.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1pbq h THR 283 CO -0.03 0.40 -1.99 0.79 0.37 0.00 0.00 175.52 175.06 1pbq n TRP 284 N -4.67 0.00 -0.01 3.16 7.02 0.14 -4.84 117.44 118.24 1pbq n TRP 284 Ca -0.08 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.36 1pbq n TRP 284 Cb 0.36 -0.52 -0.01 0.00 -2.42 0.00 0.00 31.31 28.72 1pbq n TRP 284 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1pbq n VAL 285 N -2.27 1.31 -2.79 -0.99 0.31 0.18 -4.79 118.33 109.29 1pbq n VAL 285 Ca -0.06 0.28 -0.44 0.00 -0.01 0.00 0.00 64.34 64.12 1pbq n VAL 285 Cb 0.59 -1.88 -0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1pbq n VAL 285 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1pbq s ARG 286 N -2.35 4.03 0.45 5.55 1.81 -0.10 -4.00 118.95 124.34 1pbq s ARG 286 Ca -0.12 -2.31 -0.22 0.00 -1.72 0.00 0.00 55.73 51.37 1pbq s ARG 286 Cb 0.02 -5.26 -0.08 0.00 -0.45 0.00 0.00 34.95 29.18 1pbq s ARG 286 CO 0.17 -1.97 1.09 0.71 -0.68 0.00 0.00 175.30 174.61 1pbq s TYR 287 N 2.73 3.02 0.00 -0.53 1.51 -1.26 -4.73 117.35 118.10 1pbq s TYR 287 Ca 0.47 1.59 0.00 0.00 -1.01 0.00 0.00 57.07 58.12 1pbq s TYR 287 Cb -0.00 -3.20 0.00 0.00 -0.11 0.00 0.00 41.96 38.65 1pbq s TYR 287 CO 0.03 -1.02 0.00 0.00 -1.11 0.00 0.00 175.55 173.45 1pbq n GLN 288 N -0.56 0.00 -2.70 -0.62 0.00 -1.26 -4.79 117.38 107.44 1pbq n GLN 288 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 57.00 56.67 1pbq n GLN 288 Cb 0.50 -0.46 -0.05 0.00 0.00 0.00 0.00 30.24 30.23 1pbq n GLN 288 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1pbq s GLU 289 N 0.00 4.78 0.00 2.61 4.04 -1.26 -4.98 118.70 123.88 1pbq s GLU 289 Ca 0.00 1.52 0.32 0.00 0.04 0.00 0.00 54.97 56.85 1pbq s GLU 289 Cb 0.00 -3.30 1.84 0.00 0.02 0.00 0.00 34.13 32.69 1pbq s GLU 289 CO 0.00 0.37 2.19 0.00 -1.84 0.00 0.00 175.26 175.98