#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3w h SER 3 N 0.00 0.78 -3.80 0.00 0.87 -2.03 -3.41 113.55 105.96 1b3w h SER 3 Ca 0.00 -0.20 -0.63 0.00 -1.23 0.00 0.00 61.79 59.73 1b3w h SER 3 Cb 0.00 -0.21 -0.16 0.00 -0.44 0.00 0.00 62.40 61.59 1b3w h SER 3 CO 0.00 0.86 -0.40 -0.69 -0.53 0.00 0.00 176.83 176.07 1b3w s VAL 4 N -4.95 5.26 -0.42 2.23 1.01 -1.26 -5.06 120.40 117.20 1b3w s VAL 4 Ca -0.10 0.34 -0.24 0.00 0.00 0.00 0.00 61.98 61.99 1b3w s VAL 4 Cb 0.14 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.94 1b3w s VAL 4 CO 0.82 0.22 0.84 -0.55 0.00 0.00 0.00 175.10 176.42 1b3w s SER 5 N 1.64 6.50 0.46 3.32 0.15 -1.26 -4.92 113.70 119.59 1b3w s SER 5 Ca 0.11 0.15 0.17 0.00 0.70 0.00 0.00 55.95 57.07 1b3w s SER 5 Cb -0.16 -2.41 1.08 0.00 -1.71 0.00 0.00 66.02 62.82 1b3w s SER 5 CO 0.10 -0.90 2.00 0.16 1.20 0.00 0.00 173.24 175.80 1b3w h ILE 6 N 5.93 1.01 -0.54 6.45 3.07 -1.90 -1.67 117.51 129.85 1b3w h ILE 6 Ca -0.24 -0.67 -0.02 0.00 1.55 0.00 0.00 64.86 65.48 1b3w h ILE 6 Cb 1.08 1.37 -0.03 0.00 -0.27 0.00 0.00 36.82 38.98 1b3w h ILE 6 CO 0.97 0.18 0.27 -0.78 -1.05 0.00 0.00 178.15 177.74 1b3w h ASP 7 N 0.00 0.71 0.05 2.16 3.58 -1.74 0.22 116.42 121.40 1b3w h ASP 7 Ca -0.00 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 1b3w h ASP 7 Cb 0.36 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1b3w h ASP 7 CO 0.02 0.63 -0.02 0.00 -2.88 0.00 0.00 179.24 176.99 1b3w h ALA 8 N 1.10 -0.07 -0.74 -0.78 0.00 -1.61 -1.32 119.26 115.84 1b3w h ALA 8 Ca 0.19 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1b3w h ALA 8 Cb 0.11 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1b3w h ALA 8 CO -0.02 -0.51 0.49 0.87 0.00 0.00 0.00 179.25 180.07 1b3w h LYS 9 N -0.12 0.97 -0.06 0.00 1.79 -1.04 -1.60 116.57 116.51 1b3w h LYS 9 Ca -0.01 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 1b3w h LYS 9 Cb 0.10 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.53 1b3w h LYS 9 CO 0.01 0.64 -0.04 0.35 -1.08 0.00 0.00 179.45 179.33 1b3w h PHE 10 N 1.00 0.16 -0.60 -1.35 3.57 -0.79 -2.98 116.94 115.95 1b3w h PHE 10 Ca 0.27 -0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.83 1b3w h PHE 10 Cb -0.11 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 1b3w h PHE 10 CO -0.00 0.55 0.40 0.87 -2.23 0.00 0.00 178.31 177.90 1b3w h LYS 11 N -0.28 0.38 0.00 1.11 1.57 -0.91 0.24 116.57 118.69 1b3w h LYS 11 Ca 0.01 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1b3w h LYS 11 Cb 0.51 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1b3w h LYS 11 CO 0.01 0.25 -0.02 0.00 -0.57 0.00 0.00 179.45 179.13 1b3w h ALA 12 N 1.70 1.29 -0.37 3.86 0.00 -1.13 0.18 119.26 124.78 1b3w h ALA 12 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1b3w h ALA 12 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1b3w h ALA 12 CO -0.08 0.02 0.00 0.72 0.00 0.00 0.00 179.25 179.92 1b3w n HIS 13 N -3.52 0.72 -0.43 0.00 8.25 0.07 -4.88 115.22 115.43 1b3w n HIS 13 Ca -0.03 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 1b3w n HIS 13 Cb 0.11 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1b3w n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b3w n GLY 14 N 0.88 0.89 3.82 -1.41 0.00 0.64 -5.05 105.19 104.96 1b3w n GLY 14 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1b3w n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b3w s LYS 15 N -0.48 3.43 0.13 1.61 -0.14 -1.20 -4.99 119.74 118.10 1b3w s LYS 15 Ca 0.00 1.06 -0.03 0.00 -1.36 0.00 0.00 55.97 55.64 1b3w s LYS 15 Cb 0.00 -2.06 -0.11 0.00 -1.68 0.00 0.00 37.83 33.98 1b3w s LYS 15 CO 0.00 -0.70 1.29 0.87 -0.76 0.00 0.00 175.35 176.04 1b3w h LYS 16 N 0.30 0.34 -1.47 1.68 1.57 -0.78 -3.35 116.57 114.85 1b3w h LYS 16 Ca -0.46 -0.40 0.30 0.00 -1.87 0.00 0.00 60.65 58.22 1b3w h LYS 16 Cb 1.21 0.12 -0.15 0.00 0.08 0.00 0.00 32.23 33.49 1b3w h LYS 16 CO 0.59 1.09 0.82 1.52 -0.57 0.00 0.00 179.45 182.90 1b3w s TYR 17 N -3.14 -0.08 -0.20 -1.35 -0.85 -1.23 -4.92 117.35 105.58 1b3w s TYR 17 Ca -0.05 -0.01 -0.05 0.00 -0.52 0.00 0.00 57.07 56.45 1b3w s TYR 17 Cb 0.09 0.54 0.07 0.00 0.38 0.00 0.00 41.96 43.03 1b3w s TYR 17 CO 0.86 -0.26 0.09 -1.17 -1.52 0.00 0.00 175.55 173.55 1b3w s LEU 18 N -2.67 0.50 0.00 -3.49 0.20 -1.25 -2.58 118.68 109.38 1b3w s LEU 18 Ca 0.12 -0.78 0.00 0.00 0.69 0.00 0.00 54.13 54.16 1b3w s LEU 18 Cb 0.03 -0.31 0.00 0.00 -0.43 0.00 0.00 46.19 45.48 1b3w s LEU 18 CO -0.04 -0.36 0.00 0.61 -0.29 0.00 0.00 176.35 176.27 1b3w n GLY 19 N 5.24 5.46 0.00 7.98 0.00 0.11 -1.25 105.19 122.74 1b3w n GLY 19 Ca -0.07 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1b3w n GLY 19 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1b3w n THR 20 N 0.00 0.00 -4.53 2.61 5.66 -0.83 -0.28 114.28 116.92 1b3w n THR 20 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 1b3w n THR 20 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 1b3w n THR 20 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1b3w s ILE 21 N -2.41 1.69 0.00 1.09 -4.36 -1.21 -2.14 121.20 113.86 1b3w s ILE 21 Ca 0.00 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 1b3w s ILE 21 Cb 0.00 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 41.12 1b3w s ILE 21 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 1b3w n GLY 22 N -1.20 0.02 3.64 6.27 0.00 -1.03 -4.73 105.19 108.16 1b3w n GLY 22 Ca -0.10 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1b3w n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b3w s ASP 23 N 0.00 -0.09 0.20 1.61 1.01 -1.26 -1.97 116.67 116.17 1b3w s ASP 23 Ca 0.00 -0.18 -0.20 0.00 0.71 0.00 0.00 52.55 52.88 1b3w s ASP 23 Cb 0.00 0.23 0.16 0.00 1.01 0.00 0.00 42.92 44.31 1b3w s ASP 23 CO 0.00 -0.42 1.47 1.67 0.21 0.00 0.00 175.17 178.10 1b3w n GLN 24 N -0.46 -0.27 0.17 8.23 7.27 -1.26 -1.41 117.38 129.65 1b3w n GLN 24 Ca -0.08 1.45 -0.13 0.00 0.07 0.00 0.00 57.00 58.32 1b3w n GLN 24 Cb 0.62 -2.15 -0.07 0.00 2.41 0.00 0.00 30.24 31.05 1b3w n GLN 24 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 1b3w h TYR 25 N 0.00 -1.04 -0.15 3.69 3.20 -1.97 -1.90 116.97 118.79 1b3w h TYR 25 Ca 0.29 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 1b3w h TYR 25 Cb 0.52 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 1b3w h TYR 25 CO -0.87 -0.47 -0.03 1.79 -1.64 0.00 0.00 178.16 176.95 1b3w h THR 26 N -0.67 1.12 0.00 1.81 1.35 -1.89 0.74 112.91 115.37 1b3w h THR 26 Ca -0.03 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1b3w h THR 26 Cb 0.60 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1b3w h THR 26 CO -0.10 0.15 0.00 0.18 -0.25 0.00 0.00 175.52 175.50 1b3w n LEU 27 N -4.38 0.00 0.00 3.87 4.77 -0.50 -3.81 117.00 116.95 1b3w n LEU 27 Ca -0.01 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1b3w n LEU 27 Cb 0.18 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1b3w n LEU 27 CO 0.36 -0.11 -0.28 0.35 -1.33 0.00 0.00 177.39 176.38 1b3w n THR 28 N -1.40 0.00 0.23 -5.08 -2.24 -0.20 -4.55 114.28 101.04 1b3w n THR 28 Ca 0.08 -0.04 0.15 0.00 -2.27 0.00 0.00 64.05 61.97 1b3w n THR 28 Cb 0.22 0.41 0.66 0.00 -2.10 0.00 0.00 70.33 69.51 1b3w n THR 28 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1b3w h LYS 29 N 0.00 0.00 -2.54 -0.78 2.10 0.31 -3.44 116.57 112.22 1b3w h LYS 29 Ca 0.00 0.00 0.16 0.00 -2.00 0.00 0.00 60.65 58.81 1b3w h LYS 29 Cb 0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 1b3w h LYS 29 CO 0.00 0.00 0.59 0.54 -2.00 0.00 0.00 179.45 178.58 1b3w s ASN 30 N -4.38 0.01 0.06 7.07 2.20 -1.26 -5.07 114.94 113.56 1b3w s ASN 30 Ca -0.03 -0.68 -0.04 0.00 -0.94 0.00 0.00 52.86 51.17 1b3w s ASN 30 Cb 0.10 0.50 -0.28 0.00 -2.00 0.00 0.00 41.25 39.56 1b3w s ASN 30 CO 0.32 -0.99 1.06 0.71 -2.94 0.00 0.00 177.10 175.27 1b3w h THR 31 N 2.00 1.40 -0.08 0.54 1.35 -1.95 -3.39 112.91 112.78 1b3w h THR 31 Ca -0.27 -2.99 -0.01 0.00 -0.55 0.00 0.00 66.41 62.58 1b3w h THR 31 Cb 1.22 2.90 -0.00 0.00 -1.73 0.00 0.00 68.15 70.54 1b3w h THR 31 CO 0.36 0.87 -0.01 0.11 -0.25 0.00 0.00 175.52 176.61 1b3w h LYS 32 N 0.07 0.15 -0.20 4.72 1.57 -1.97 -3.01 116.57 117.90 1b3w h LYS 32 Ca -0.17 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1b3w h LYS 32 Cb 1.99 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 34.22 1b3w h LYS 32 CO 0.20 0.43 -0.26 -0.97 -0.57 0.00 0.00 179.45 178.28 1b3w h ASN 33 N -0.15 -0.82 0.50 0.86 -1.24 -1.87 0.40 115.58 113.26 1b3w h ASN 33 Ca 0.02 0.14 -0.08 0.00 0.71 0.00 0.00 56.30 57.09 1b3w h ASN 33 Cb 0.37 0.37 -0.01 0.00 0.73 0.00 0.00 38.32 39.78 1b3w h ASN 33 CO 0.01 -0.30 -0.39 1.55 -1.29 0.00 0.00 177.43 177.01 1b3w h PRO 34 N -0.29 0.00 -0.16 6.67 0.13 -1.77 -1.85 132.00 134.73 1b3w h PRO 34 Ca 0.12 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.16 1b3w h PRO 34 Cb 0.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1b3w h PRO 34 CO -0.37 0.39 -0.30 0.00 -0.23 0.00 0.00 178.00 177.48 1b3w h ALA 35 N 1.61 1.18 -0.06 -0.56 0.00 -0.96 -1.08 119.26 119.40 1b3w h ALA 35 Ca -0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1b3w h ALA 35 Cb 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1b3w h ALA 35 CO 0.05 0.53 -0.17 0.82 0.00 0.00 0.00 179.25 180.48 1b3w h ILE 36 N 0.28 1.44 -0.14 0.00 2.04 0.05 -1.97 117.51 119.21 1b3w h ILE 36 Ca 0.04 -1.56 0.04 0.00 1.00 0.00 0.00 64.86 64.38 1b3w h ILE 36 Cb 0.68 2.31 -0.04 0.00 -0.74 0.00 0.00 36.82 39.03 1b3w h ILE 36 CO 0.05 0.43 -0.14 0.40 0.00 0.00 0.00 178.15 178.90 1b3w h ILE 37 N -0.30 0.62 -0.74 -0.67 2.04 -1.10 0.19 117.51 117.55 1b3w h ILE 37 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1b3w h ILE 37 Cb 0.79 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1b3w h ILE 37 CO 0.04 0.00 0.42 0.11 0.00 0.00 0.00 178.15 178.72 1b3w h LYS 38 N -0.16 1.03 0.10 2.37 1.57 -1.26 -2.59 116.57 117.63 1b3w h LYS 38 Ca 0.09 -0.11 -0.24 0.00 -1.87 0.00 0.00 60.65 58.52 1b3w h LYS 38 Cb 0.30 -0.21 0.02 0.00 0.08 0.00 0.00 32.23 32.43 1b3w h LYS 38 CO -0.24 0.75 -1.02 0.00 -0.57 0.00 0.00 179.45 178.38 1b3w h ALA 39 N 1.22 -0.02 -0.01 3.86 0.00 -0.84 -3.40 119.26 120.07 1b3w h ALA 39 Ca 0.26 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1b3w h ALA 39 Cb 0.01 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1b3w h ALA 39 CO -0.04 0.54 -0.15 -0.25 0.00 0.00 0.00 179.25 179.35 1b3w n ASP 40 N -3.96 1.43 -4.39 0.00 8.00 0.63 -4.61 116.55 113.65 1b3w n ASP 40 Ca -0.13 -1.22 -0.20 0.00 0.71 0.00 0.00 54.79 53.95 1b3w n ASP 40 Cb 0.89 0.33 -0.10 0.00 -0.02 0.00 0.00 41.12 42.21 1b3w n ASP 40 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1b3w s PHE 41 N -1.24 1.89 0.00 1.24 0.08 -0.98 -2.60 117.98 116.38 1b3w s PHE 41 Ca 0.10 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.59 1b3w s PHE 41 Cb 0.09 -0.92 0.00 0.00 -0.57 0.00 0.00 43.02 41.62 1b3w s PHE 41 CO 0.22 0.41 0.77 0.41 -0.10 0.00 0.00 175.22 176.93 1b3w n GLY 42 N -0.48 0.28 3.27 4.36 0.00 -0.38 -4.73 105.19 107.52 1b3w n GLY 42 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1b3w n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b3w s GLN 43 N -0.54 0.77 -0.01 1.61 -0.44 -1.26 -1.34 119.66 118.45 1b3w s GLN 43 Ca 0.00 -0.26 0.01 0.00 -2.50 0.00 0.00 55.36 52.60 1b3w s GLN 43 Cb 0.00 0.34 0.00 0.00 -1.64 0.00 0.00 33.01 31.72 1b3w s GLN 43 CO 0.00 -0.23 -0.02 -0.51 0.50 0.00 0.00 175.29 175.03 1b3w s LEU 44 N -1.60 1.82 -0.14 3.68 1.43 0.86 -1.96 118.68 122.76 1b3w s LEU 44 Ca -0.10 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1b3w s LEU 44 Cb -0.03 -0.15 0.00 0.00 0.03 0.00 0.00 46.19 46.04 1b3w s LEU 44 CO 0.02 0.00 -0.19 -0.89 0.23 0.00 0.00 176.35 175.52 1b3w s THR 45 N 0.17 2.35 0.06 5.49 2.01 -0.91 -1.70 115.64 123.12 1b3w s THR 45 Ca -0.01 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 1b3w s THR 45 Cb -0.04 -1.96 -0.09 0.00 0.01 0.00 0.00 72.50 70.42 1b3w s THR 45 CO -0.00 0.53 1.78 -2.16 -0.69 0.00 0.00 174.62 174.08 1b3w s PRO 46 N 0.76 4.16 0.43 4.92 0.04 -1.26 -2.45 135.00 141.60 1b3w s PRO 46 Ca -0.07 2.45 0.09 0.00 0.04 0.00 0.00 61.00 63.51 1b3w s PRO 46 Cb -0.16 -3.78 0.93 0.00 0.04 0.00 0.00 34.50 31.53 1b3w s PRO 46 CO 0.00 -0.83 2.05 1.49 0.04 0.00 0.00 177.00 179.75 1b3w h GLU 47 N 9.09 0.37 0.00 4.56 4.81 -1.76 -3.41 114.58 128.24 1b3w h GLU 47 Ca -0.45 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1b3w h GLU 47 Cb 1.21 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1b3w h GLU 47 CO 0.94 0.29 0.00 0.09 -0.73 0.00 0.00 179.01 179.60 1b3w n ASN 48 N -4.45 0.00 0.26 1.04 3.02 -1.26 -4.98 115.26 108.89 1b3w n ASN 48 Ca 0.01 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.73 1b3w n ASN 48 Cb 0.10 0.00 0.90 0.00 -0.61 0.00 0.00 39.78 40.18 1b3w n ASN 48 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1b3w h SER 49 N 0.00 0.00 -0.27 6.41 4.64 -1.89 -2.64 113.55 119.80 1b3w h SER 49 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b3w h SER 49 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1b3w h SER 49 CO 0.00 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.19 1b3w n MET 50 N -2.68 2.05 -1.54 4.77 2.81 -1.26 -4.00 117.12 117.27 1b3w n MET 50 Ca -0.02 -1.87 -0.31 0.00 -1.81 0.00 0.00 57.70 53.70 1b3w n MET 50 Cb 0.09 -1.33 0.07 0.00 -0.71 0.00 0.00 33.22 31.34 1b3w n MET 50 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1b3w s LYS 51 N -1.11 2.57 0.18 0.03 1.02 -1.00 -3.80 119.74 117.63 1b3w s LYS 51 Ca 0.25 0.85 -0.14 0.00 0.02 0.00 0.00 55.97 56.96 1b3w s LYS 51 Cb 0.15 -1.96 0.16 0.00 -0.52 0.00 0.00 37.83 35.66 1b3w s LYS 51 CO 0.20 -1.33 1.72 2.35 -0.92 0.00 0.00 175.35 177.37 1b3w h TRP 52 N -0.89 0.13 0.00 3.18 2.91 -1.74 -1.18 115.95 118.36 1b3w h TRP 52 Ca -0.45 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 59.59 1b3w h TRP 52 Cb 1.23 0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.90 1b3w h TRP 52 CO 0.56 -0.01 -0.02 0.38 -1.03 0.00 0.00 178.44 178.32 1b3w h ASP 53 N 0.21 0.00 0.21 2.65 2.03 -1.73 -0.19 116.42 119.61 1b3w h ASP 53 Ca 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 1b3w h ASP 53 Cb 0.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 1b3w h ASP 53 CO -0.31 0.02 -0.78 0.00 -1.03 0.00 0.00 179.24 177.14 1b3w n ALA 54 N -2.50 4.23 -0.05 4.15 0.00 -0.76 -3.90 120.51 121.68 1b3w n ALA 54 Ca -0.03 -0.49 -0.05 0.00 0.00 0.00 0.00 53.44 52.87 1b3w n ALA 54 Cb 0.11 -0.92 -0.08 0.00 0.00 0.00 0.00 19.45 18.55 1b3w n ALA 54 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1b3w n THR 55 N -1.48 0.68 -3.18 0.00 -2.24 -0.52 -4.55 114.28 102.99 1b3w n THR 55 Ca 0.05 -0.42 -0.23 0.00 -2.27 0.00 0.00 64.05 61.18 1b3w n THR 55 Cb 0.33 -0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 67.78 1b3w n THR 55 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1b3w n GLU 56 N -2.36 0.74 0.23 -0.78 2.13 -0.13 -1.73 120.64 118.74 1b3w n GLU 56 Ca -0.16 -3.19 0.11 0.00 0.66 0.00 0.00 57.16 54.58 1b3w n GLU 56 Cb 0.82 -1.26 0.71 0.00 0.27 0.00 0.00 31.44 31.97 1b3w n GLU 56 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1b3w h PRO 57 N 3.90 0.00 -4.35 5.31 0.13 -1.67 -3.42 132.00 131.90 1b3w h PRO 57 Ca 0.07 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.91 1b3w h PRO 57 Cb 0.89 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.77 1b3w h PRO 57 CO 0.46 0.00 -0.74 -0.80 -0.23 0.00 0.00 178.00 176.69 1b3w s ASN 58 N -6.74 0.65 -0.29 1.44 0.01 -1.25 -4.93 114.94 103.84 1b3w s ASN 58 Ca -0.05 -0.28 -0.42 0.00 -0.71 0.00 0.00 52.86 51.40 1b3w s ASN 58 Cb 0.17 -0.02 -0.17 0.00 0.41 0.00 0.00 41.25 41.64 1b3w s ASN 58 CO 0.65 -0.06 1.63 -1.14 -1.51 0.00 0.00 177.10 176.67 1b3w n ARG 59 N 2.33 0.78 -0.88 -0.60 0.63 -1.26 -0.40 116.66 117.25 1b3w n ARG 59 Ca -0.17 0.28 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1b3w n ARG 59 Cb 0.57 -1.90 0.00 0.00 0.45 0.00 0.00 32.46 31.57 1b3w n ARG 59 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1b3w n GLY 60 N 3.83 0.31 3.12 5.14 0.00 -1.26 -4.95 105.19 111.37 1b3w n GLY 60 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 1b3w n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b3w s GLN 61 N -0.88 2.49 0.09 1.61 -0.21 0.47 -5.10 119.66 118.12 1b3w s GLN 61 Ca 0.00 -1.19 0.01 0.00 0.02 0.00 0.00 55.36 54.20 1b3w s GLN 61 Cb 0.00 -2.90 -0.04 0.00 1.00 0.00 0.00 33.01 31.07 1b3w s GLN 61 CO 0.00 -0.49 0.24 -0.06 -2.12 0.00 0.00 175.29 172.86 1b3w s PHE 62 N 1.19 3.51 -0.28 0.91 0.40 -1.26 -3.57 117.98 118.89 1b3w s PHE 62 Ca -0.05 0.21 -0.02 0.00 -0.60 0.00 0.00 56.93 56.47 1b3w s PHE 62 Cb -0.18 -1.73 0.09 0.00 0.51 0.00 0.00 43.02 41.70 1b3w s PHE 62 CO -0.06 0.56 0.10 0.95 0.70 0.00 0.00 175.22 177.47 1b3w s THR 63 N -1.59 0.43 -0.21 0.64 -4.23 -0.71 -4.99 115.64 104.98 1b3w s THR 63 Ca 0.35 -0.97 0.16 0.00 -1.18 0.00 0.00 61.69 60.05 1b3w s THR 63 Cb -0.12 -1.26 0.64 0.00 1.34 0.00 0.00 72.50 73.09 1b3w s THR 63 CO 0.28 -0.60 1.54 0.49 -0.54 0.00 0.00 174.62 175.80 1b3w n PHE 64 N 5.05 1.36 0.32 3.99 3.72 -1.26 -4.36 117.46 126.28 1b3w n PHE 64 Ca -0.05 -0.82 -0.17 0.00 -0.05 0.00 0.00 57.45 56.36 1b3w n PHE 64 Cb 0.43 -0.39 -0.09 0.00 -0.94 0.00 0.00 39.48 38.50 1b3w n PHE 64 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1b3w h SER 65 N 2.61 -0.97 -0.34 4.37 0.87 -1.95 -0.19 113.55 117.94 1b3w h SER 65 Ca 0.00 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1b3w h SER 65 Cb 1.64 0.30 -0.02 0.00 -0.44 0.00 0.00 62.40 63.88 1b3w h SER 65 CO 0.32 -0.58 0.22 1.23 -0.53 0.00 0.00 176.83 177.49 1b3w h GLY 66 N -0.90 0.48 1.00 5.77 0.00 -1.89 -2.45 103.07 105.08 1b3w h GLY 66 Ca -0.06 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1b3w h GLY 66 CO 0.04 0.16 -0.02 1.48 0.00 0.00 0.00 176.54 178.21 1b3w h SER 67 N 0.45 0.84 -0.99 0.19 4.64 -1.68 -2.68 113.55 114.31 1b3w h SER 67 Ca 0.13 -0.32 0.13 0.00 -0.47 0.00 0.00 61.79 61.26 1b3w h SER 67 Cb -0.04 -0.23 -0.09 0.00 -0.31 0.00 0.00 62.40 61.74 1b3w h SER 67 CO -0.04 0.95 0.61 0.44 -0.87 0.00 0.00 176.83 177.93 1b3w h ASP 68 N 0.71 0.88 -0.02 4.97 3.32 -0.87 -0.38 116.42 125.03 1b3w h ASP 68 Ca 0.13 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1b3w h ASP 68 Cb 0.53 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1b3w h ASP 68 CO 0.03 0.44 0.00 0.22 -1.72 0.00 0.00 179.24 178.21 1b3w h TYR 69 N 0.93 0.04 0.10 4.55 3.20 -1.17 -0.32 116.97 124.31 1b3w h TYR 69 Ca 0.51 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.38 1b3w h TYR 69 Cb 0.56 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1b3w h TYR 69 CO -0.01 0.29 -0.11 1.25 -1.64 0.00 0.00 178.16 177.94 1b3w h LEU 70 N -0.22 -0.30 -0.04 2.82 7.12 -1.08 0.43 115.31 124.04 1b3w h LEU 70 Ca 0.01 0.03 0.02 0.00 0.13 0.00 0.00 57.88 58.07 1b3w h LEU 70 Cb 0.27 0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.49 1b3w h LEU 70 CO 0.00 -0.17 -0.06 0.58 -0.13 0.00 0.00 178.44 178.66 1b3w h VAL 71 N -0.24 0.84 -1.01 1.05 2.07 -1.10 -1.49 116.25 116.38 1b3w h VAL 71 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1b3w h VAL 71 Cb 0.24 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1b3w h VAL 71 CO -0.04 0.00 0.66 0.78 0.02 0.00 0.00 177.57 178.99 1b3w h ASN 72 N -0.08 1.13 0.25 0.57 2.35 -0.90 0.14 115.58 119.04 1b3w h ASN 72 Ca 0.04 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1b3w h ASN 72 Cb 0.13 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1b3w h ASN 72 CO -0.09 0.80 -0.12 0.15 -1.65 0.00 0.00 177.43 176.52 1b3w h PHE 73 N 1.33 -0.31 0.27 1.19 3.57 -0.57 -0.80 116.94 121.63 1b3w h PHE 73 Ca 0.38 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.88 1b3w h PHE 73 Cb -0.10 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1b3w h PHE 73 CO -0.00 -0.09 -0.33 0.00 -2.23 0.00 0.00 178.31 175.66 1b3w h ALA 74 N 0.24 -0.66 -0.84 2.41 0.00 -0.89 -1.74 119.26 117.78 1b3w h ALA 74 Ca -0.03 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.89 1b3w h ALA 74 Cb 0.36 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 1b3w h ALA 74 CO 0.06 -0.92 0.47 0.37 0.00 0.00 0.00 179.25 179.23 1b3w h GLN 75 N -0.65 0.74 0.00 0.00 -0.00 -0.75 0.21 115.11 114.65 1b3w h GLN 75 Ca -0.01 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.60 1b3w h GLN 75 Cb 0.61 -0.17 -0.00 0.00 0.00 0.00 0.00 27.48 27.92 1b3w h GLN 75 CO -0.10 0.49 -0.01 0.77 0.00 0.00 0.00 178.83 179.98 1b3w h SER 76 N 0.76 0.00 -0.12 -0.69 0.02 -0.74 -3.09 113.55 109.70 1b3w h SER 76 Ca 0.42 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.33 1b3w h SER 76 Cb 0.44 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1b3w h SER 76 CO -0.28 0.01 -0.14 0.59 -1.14 0.00 0.00 176.83 175.87 1b3w n ASN 77 N -3.11 2.51 -2.73 3.07 3.02 -0.00 -4.99 115.26 113.03 1b3w n ASN 77 Ca -0.01 -3.42 -0.21 0.00 -0.03 0.00 0.00 54.58 50.91 1b3w n ASN 77 Cb 0.22 -0.52 0.01 0.00 -0.61 0.00 0.00 39.78 38.88 1b3w n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b3w n GLY 78 N -1.12 -0.51 3.79 7.41 0.00 -0.93 -4.99 105.19 108.84 1b3w n GLY 78 Ca 0.21 0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 1b3w n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b3w s LYS 79 N -5.39 3.56 0.81 1.61 -0.14 -0.82 -4.92 119.74 114.44 1b3w s LYS 79 Ca 0.15 -0.22 -0.11 0.00 -1.36 0.00 0.00 55.97 54.44 1b3w s LYS 79 Cb -0.07 -3.17 0.08 0.00 -1.68 0.00 0.00 37.83 32.99 1b3w s LYS 79 CO 0.19 0.62 1.09 -0.51 -0.76 0.00 0.00 175.35 175.98 1b3w s LEU 80 N -0.60 2.71 0.00 3.17 1.43 -0.45 -4.33 118.68 120.62 1b3w s LEU 80 Ca 0.12 1.61 0.04 0.00 -1.03 0.00 0.00 54.13 54.86 1b3w s LEU 80 Cb -0.12 -4.22 -0.01 0.00 0.03 0.00 0.00 46.19 41.87 1b3w s LEU 80 CO 0.02 -2.17 -0.12 -0.63 0.23 0.00 0.00 176.35 173.69 1b3w s ILE 81 N -2.97 0.94 -0.25 -0.59 1.01 -1.26 -0.10 121.20 117.98 1b3w s ILE 81 Ca 0.61 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.70 1b3w s ILE 81 Cb -0.17 -0.80 0.05 0.00 0.01 0.00 0.00 42.46 41.55 1b3w s ILE 81 CO 0.56 0.20 -0.12 -0.13 0.00 0.00 0.00 174.94 175.46 1b3w s ARG 82 N -0.44 2.37 0.53 2.79 0.52 -0.69 -1.45 118.95 122.58 1b3w s ARG 82 Ca 0.04 -1.26 -0.21 0.00 -0.52 0.00 0.00 55.73 53.77 1b3w s ARG 82 Cb -0.05 -2.86 -0.05 0.00 0.52 0.00 0.00 34.95 32.50 1b3w s ARG 82 CO -0.00 -0.52 1.27 0.20 0.02 0.00 0.00 175.30 176.27 1b3w s GLY 83 N 1.14 2.83 -0.30 -3.53 0.00 0.36 -4.11 107.32 103.71 1b3w s GLY 83 Ca -0.07 1.15 -0.14 0.00 0.00 0.00 0.00 44.72 45.67 1b3w s GLY 83 CO -0.06 1.62 0.90 -1.58 0.00 0.00 0.00 173.10 173.98 1b3w s HIS 84 N -1.43 -0.86 0.00 1.90 5.04 -1.26 -1.54 115.29 117.13 1b3w s HIS 84 Ca 0.71 1.47 -0.03 0.00 -1.54 0.00 0.00 55.06 55.67 1b3w s HIS 84 Cb -0.35 0.51 -0.01 0.00 0.04 0.00 0.00 32.58 32.78 1b3w s HIS 84 CO 0.41 -0.43 0.05 -0.08 -2.34 0.00 0.00 174.74 172.35 1b3w s THR 85 N 2.58 0.07 0.09 0.89 -1.32 -1.25 -3.76 115.64 112.94 1b3w s THR 85 Ca -0.03 -0.56 -0.14 0.00 -1.21 0.00 0.00 61.69 59.75 1b3w s THR 85 Cb -0.08 -0.26 -0.15 0.00 -1.51 0.00 0.00 72.50 70.50 1b3w s THR 85 CO -0.18 -0.31 1.31 -0.07 -2.21 0.00 0.00 174.62 173.16 1b3w h LEU 86 N 4.97 0.88 -7.74 9.08 3.38 -1.53 -3.38 115.31 120.97 1b3w h LEU 86 Ca -0.29 -0.61 -0.49 0.00 0.09 0.00 0.00 57.88 56.58 1b3w h LEU 86 Cb 1.20 -0.26 -0.36 0.00 0.09 0.00 0.00 40.66 41.34 1b3w h LEU 86 CO 0.43 1.34 -0.79 -0.69 0.09 0.00 0.00 178.44 178.82 1b3w s VAL 87 N -3.81 0.85 -0.05 1.22 1.01 -0.52 -4.85 120.40 114.24 1b3w s VAL 87 Ca -0.11 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1b3w s VAL 87 Cb 0.08 -0.87 0.09 0.00 0.00 0.00 0.00 36.38 35.68 1b3w s VAL 87 CO 0.88 0.32 0.76 0.86 0.00 0.00 0.00 175.10 177.92 1b3w s TRP 88 N 1.37 -0.56 -0.82 5.22 -0.00 -1.26 -1.18 118.94 121.71 1b3w s TRP 88 Ca -0.02 0.89 0.25 0.00 -0.00 0.00 0.00 56.10 57.22 1b3w s TRP 88 Cb -0.14 0.44 0.56 0.00 -0.00 0.00 0.00 33.47 34.34 1b3w s TRP 88 CO -0.03 -0.56 1.48 -2.39 -0.00 0.00 0.00 176.95 175.44 1b3w n HIS 89 N 0.68 0.33 -4.10 5.86 1.44 -1.26 -4.75 115.22 113.43 1b3w n HIS 89 Ca -0.16 0.10 -0.26 0.00 -2.01 0.00 0.00 57.72 55.38 1b3w n HIS 89 Cb 0.58 -0.53 -0.06 0.00 0.12 0.00 0.00 29.99 30.11 1b3w n HIS 89 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1b3w s SER 90 N -3.69 5.44 -1.37 4.39 0.15 -1.26 -4.48 113.70 112.89 1b3w s SER 90 Ca 0.09 -0.16 -0.02 0.00 0.70 0.00 0.00 55.95 56.56 1b3w s SER 90 Cb 0.15 -1.40 0.01 0.00 -1.71 0.00 0.00 66.02 63.08 1b3w s SER 90 CO 0.68 0.07 0.67 0.00 1.20 0.00 0.00 173.24 175.85 1b3w n GLN 91 N -0.34 -4.54 -4.92 5.44 6.02 -1.26 -4.89 117.38 112.89 1b3w n GLN 91 Ca -0.08 0.56 -0.32 0.00 -0.01 0.00 0.00 57.00 57.14 1b3w n GLN 91 Cb 0.55 -5.05 -0.16 0.00 1.02 0.00 0.00 30.24 26.59 1b3w n GLN 91 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1b3w s LEU 92 N -6.84 2.18 0.41 1.08 2.96 -1.26 -2.14 118.68 115.08 1b3w s LEU 92 Ca 0.10 -0.55 -0.26 0.00 -0.22 0.00 0.00 54.13 53.20 1b3w s LEU 92 Cb -0.05 -1.45 -0.10 0.00 0.50 0.00 0.00 46.19 45.09 1b3w s LEU 92 CO 0.84 0.12 1.40 -2.65 -1.32 0.00 0.00 176.35 174.74 1b3w n PRO 93 N 3.77 2.29 0.18 0.98 -0.02 -1.26 -4.87 135.00 136.07 1b3w n PRO 93 Ca -0.19 0.81 0.16 0.00 -2.02 0.00 0.00 63.50 62.26 1b3w n PRO 93 Cb 0.52 -2.56 0.77 0.00 -0.02 0.00 0.00 33.50 32.21 1b3w n PRO 93 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1b3w h GLY 94 N 2.45 0.00 2.00 -1.23 0.00 -1.98 -0.50 103.07 103.81 1b3w h GLY 94 Ca -0.50 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1b3w h GLY 94 CO 0.62 0.00 -0.10 0.11 0.00 0.00 0.00 176.54 177.17 1b3w h TRP 95 N 0.00 0.00 0.00 5.60 5.08 -1.91 -1.89 115.95 122.83 1b3w h TRP 95 Ca 0.10 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.03 1b3w h TRP 95 Cb 0.46 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.62 1b3w h TRP 95 CO 0.00 0.10 -0.23 0.28 -1.28 0.00 0.00 178.44 177.31 1b3w h VAL 96 N 0.00 1.08 0.00 0.12 2.07 -1.45 -3.34 116.25 114.73 1b3w h VAL 96 Ca -0.00 -1.88 -0.00 0.00 0.82 0.00 0.00 66.70 65.63 1b3w h VAL 96 Cb 0.28 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1b3w h VAL 96 CO 0.01 0.36 -0.01 0.77 0.02 0.00 0.00 177.57 178.73 1b3w h SER 97 N -1.00 0.00 1.42 0.57 4.64 -1.43 -1.54 113.55 116.21 1b3w h SER 97 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1b3w h SER 97 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1b3w h SER 97 CO -0.03 0.01 -0.20 0.77 -0.87 0.00 0.00 176.83 176.50 1b3w h SER 98 N 0.00 0.00 -3.37 4.97 4.64 -1.48 -3.46 113.55 114.84 1b3w h SER 98 Ca -0.00 -0.05 -0.53 0.00 -0.47 0.00 0.00 61.79 60.74 1b3w h SER 98 Cb 0.07 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.24 1b3w h SER 98 CO 0.00 0.02 0.85 -0.63 -0.87 0.00 0.00 176.83 176.20 1b3w s ILE 99 N -3.16 2.23 -0.00 0.95 1.01 -0.58 -4.91 121.20 116.74 1b3w s ILE 99 Ca 0.08 0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.96 1b3w s ILE 99 Cb 0.11 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 1b3w s ILE 99 CO 0.65 0.03 0.07 0.35 0.00 0.00 0.00 174.94 176.05 1b3w n THR 100 N 2.13 0.00 -2.96 2.92 -2.24 -1.26 -4.96 114.28 107.91 1b3w n THR 100 Ca 0.07 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1b3w n THR 100 Cb 0.38 0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 68.98 1b3w n THR 100 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1b3w s ASP 101 N -2.39 6.85 0.12 3.42 2.15 -1.26 -4.93 116.67 120.62 1b3w s ASP 101 Ca -0.01 1.04 -0.25 0.00 0.43 0.00 0.00 52.55 53.75 1b3w s ASP 101 Cb 0.02 -2.42 -0.06 0.00 -0.30 0.00 0.00 42.92 40.16 1b3w s ASP 101 CO 0.14 -0.38 1.65 0.50 -0.17 0.00 0.00 175.17 176.91 1b3w h LYS 102 N 7.44 -0.36 -0.24 4.34 3.64 -1.95 0.14 116.57 129.58 1b3w h LYS 102 Ca -0.29 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.08 1b3w h LYS 102 Cb 1.13 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1b3w h LYS 102 CO 0.82 -0.24 -0.02 -0.91 -2.27 0.00 0.00 179.45 176.83 1b3w h ASN 103 N -0.37 0.33 -0.29 4.20 2.35 -1.93 0.36 115.58 120.22 1b3w h ASN 103 Ca 0.05 -0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 1b3w h ASN 103 Cb 0.44 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1b3w h ASN 103 CO -0.19 0.40 -0.37 0.74 -1.65 0.00 0.00 177.43 176.36 1b3w h THR 104 N 0.35 1.30 -0.62 2.81 2.02 -1.80 -1.76 112.91 115.21 1b3w h THR 104 Ca 0.08 -1.56 -0.10 0.00 0.77 0.00 0.00 66.41 65.61 1b3w h THR 104 Cb 0.27 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 1b3w h THR 104 CO 0.01 0.50 0.01 0.25 0.37 0.00 0.00 175.52 176.66 1b3w h LEU 105 N 0.52 1.05 -0.57 2.58 5.85 -0.18 -1.43 115.31 123.13 1b3w h LEU 105 Ca 0.04 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1b3w h LEU 105 Cb 0.96 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1b3w h LEU 105 CO 0.09 1.10 0.28 0.40 -0.34 0.00 0.00 178.44 179.97 1b3w h ILE 106 N 0.99 1.20 -0.16 4.05 2.04 -0.90 0.10 117.51 124.82 1b3w h ILE 106 Ca 0.18 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1b3w h ILE 106 Cb 0.55 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1b3w h ILE 106 CO 0.03 0.23 0.10 -1.28 0.00 0.00 0.00 178.15 177.23 1b3w h SER 107 N 0.77 0.18 0.19 1.72 0.87 -0.97 -0.60 113.55 115.70 1b3w h SER 107 Ca 0.20 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1b3w h SER 107 Cb 0.10 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1b3w h SER 107 CO -0.03 0.13 -0.09 0.58 -0.53 0.00 0.00 176.83 176.89 1b3w h VAL 108 N 0.21 0.84 -0.53 2.23 2.07 -1.02 -0.91 116.25 119.14 1b3w h VAL 108 Ca 0.06 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.54 1b3w h VAL 108 Cb -0.02 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 30.60 1b3w h VAL 108 CO -0.02 0.03 0.06 0.25 0.02 0.00 0.00 177.57 177.91 1b3w h LEU 109 N -0.33 -0.11 -0.62 2.57 5.85 -0.64 0.47 115.31 122.50 1b3w h LEU 109 Ca -0.03 0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 1b3w h LEU 109 Cb 0.25 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1b3w h LEU 109 CO 0.04 -0.03 -0.23 0.11 -0.34 0.00 0.00 178.44 177.99 1b3w h LYS 110 N 0.18 0.85 -0.75 1.25 1.57 -1.01 -2.04 116.57 116.61 1b3w h LYS 110 Ca 0.27 -0.35 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1b3w h LYS 110 Cb 0.40 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1b3w h LYS 110 CO -0.40 0.99 0.26 -0.97 -0.57 0.00 0.00 179.45 178.76 1b3w h ASN 111 N 0.74 1.06 -0.12 0.86 -1.24 -0.10 0.03 115.58 116.81 1b3w h ASN 111 Ca 0.10 -0.18 -0.02 0.00 0.71 0.00 0.00 56.30 56.90 1b3w h ASN 111 Cb 0.76 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.53 1b3w h ASN 111 CO 0.06 0.97 -0.00 -0.74 -1.29 0.00 0.00 177.43 176.43 1b3w h HIS 112 N 1.10 0.24 -0.23 0.67 2.76 -0.79 -0.59 115.15 118.31 1b3w h HIS 112 Ca 0.24 -0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.40 1b3w h HIS 112 Cb 0.27 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 1b3w h HIS 112 CO 0.02 0.47 0.07 0.82 -1.30 0.00 0.00 177.93 178.01 1b3w h ILE 113 N -0.05 0.93 0.86 6.26 2.04 -1.20 -1.76 117.51 124.59 1b3w h ILE 113 Ca 0.03 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1b3w h ILE 113 Cb 0.37 0.75 0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1b3w h ILE 113 CO 0.01 0.03 -0.42 0.74 0.00 0.00 0.00 178.15 178.51 1b3w h THR 114 N 0.17 0.11 -0.68 -0.27 2.02 -0.91 0.12 112.91 113.48 1b3w h THR 114 Ca 0.10 -0.06 0.08 0.00 0.77 0.00 0.00 66.41 67.30 1b3w h THR 114 Cb 0.07 0.12 -0.07 0.00 -1.74 0.00 0.00 68.15 66.54 1b3w h THR 114 CO -0.11 0.00 0.34 0.74 0.37 0.00 0.00 175.52 176.87 1b3w h THR 115 N -1.21 0.88 -0.05 3.16 2.02 -1.09 0.24 112.91 116.85 1b3w h THR 115 Ca -0.12 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 1b3w h THR 115 Cb 0.90 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1b3w h THR 115 CO 0.20 0.11 -0.03 0.58 0.37 0.00 0.00 175.52 176.74 1b3w h VAL 116 N 0.60 1.36 -0.53 3.16 2.07 -1.29 -2.82 116.25 118.80 1b3w h VAL 116 Ca 0.33 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 1b3w h VAL 116 Cb 0.31 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1b3w h VAL 116 CO -0.24 0.30 0.06 0.24 0.02 0.00 0.00 177.57 177.95 1b3w h MET 117 N -0.32 0.85 -0.59 1.57 2.07 -0.63 -2.90 114.93 114.99 1b3w h MET 117 Ca 0.01 -0.21 -0.07 0.00 -2.07 0.00 0.00 59.70 57.36 1b3w h MET 117 Cb 0.51 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 30.10 1b3w h MET 117 CO 0.01 0.82 0.09 1.15 1.07 0.00 0.00 176.91 180.05 1b3w h THR 118 N 0.81 1.25 0.00 2.22 2.02 -0.58 -0.60 112.91 118.03 1b3w h THR 118 Ca 0.16 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 1b3w h THR 118 Cb 0.40 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1b3w h THR 118 CO 0.01 0.36 -0.02 -0.09 0.37 0.00 0.00 175.52 176.15 1b3w h ARG 119 N 0.89 0.00 -0.03 6.66 2.43 -1.28 -2.54 114.38 120.51 1b3w h ARG 119 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1b3w h ARG 119 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1b3w h ARG 119 CO 0.01 0.02 0.00 0.66 -1.51 0.00 0.00 179.97 179.15 1b3w n TYR 120 N -4.31 0.07 -1.63 2.20 4.01 -1.10 -5.06 117.16 111.35 1b3w n TYR 120 Ca -0.03 -0.64 -0.60 0.00 -0.16 0.00 0.00 57.90 56.47 1b3w n TYR 120 Cb 0.11 -0.08 -0.08 0.00 -0.31 0.00 0.00 39.34 38.97 1b3w n TYR 120 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1b3w n LYS 121 N -0.66 0.44 0.00 -0.72 4.81 -0.25 -0.40 118.16 121.38 1b3w n LYS 121 Ca 0.06 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 1b3w n LYS 121 Cb 0.38 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.71 1b3w n LYS 121 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1b3w n GLY 122 N 2.91 2.25 0.07 3.14 0.00 -1.26 -4.82 105.19 107.47 1b3w n GLY 122 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.34 1b3w n GLY 122 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b3w n LYS 123 N -2.00 1.38 -3.65 1.61 5.02 0.46 -4.94 118.16 116.03 1b3w n LYS 123 Ca 0.00 -0.15 -0.37 0.00 -2.02 0.00 0.00 58.31 55.77 1b3w n LYS 123 Cb 0.00 -1.31 -0.10 0.00 -0.02 0.00 0.00 35.03 33.59 1b3w n LYS 123 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1b3w s ILE 124 N -2.53 5.21 -0.03 -0.18 -1.09 -1.22 -4.50 121.20 116.86 1b3w s ILE 124 Ca 0.08 0.13 -0.25 0.00 -2.23 0.00 0.00 60.65 58.38 1b3w s ILE 124 Cb 0.13 -3.45 -0.20 0.00 -1.58 0.00 0.00 42.46 37.36 1b3w s ILE 124 CO 0.66 0.31 1.15 0.22 -1.23 0.00 0.00 174.94 176.05 1b3w h TYR 125 N 7.94 -0.07 -3.36 3.97 3.20 -1.58 -3.38 116.97 123.69 1b3w h TYR 125 Ca -0.37 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.33 1b3w h TYR 125 Cb 1.18 0.02 -0.25 0.00 1.54 0.00 0.00 36.73 39.22 1b3w h TYR 125 CO 0.71 0.44 -0.51 0.00 -1.64 0.00 0.00 178.16 177.16 1b3w s ALA 126 N -4.03 -0.40 -0.08 1.82 0.00 -1.18 -0.83 121.76 117.05 1b3w s ALA 126 Ca -0.15 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.15 1b3w s ALA 126 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1b3w s ALA 126 CO 0.63 -0.12 -0.13 -1.58 0.00 0.00 0.00 175.76 174.56 1b3w s TRP 127 N -0.30 2.76 -0.96 0.00 0.52 -0.15 -0.48 118.94 120.33 1b3w s TRP 127 Ca -0.04 -0.29 -0.18 0.00 0.02 0.00 0.00 56.10 55.60 1b3w s TRP 127 Cb -0.03 -1.71 0.13 0.00 -1.15 0.00 0.00 33.47 30.71 1b3w s TRP 127 CO 0.01 0.07 1.16 -0.51 0.02 0.00 0.00 176.95 177.70 1b3w s ASP 128 N -0.38 6.66 0.08 2.95 1.01 -0.59 -0.77 116.67 125.63 1b3w s ASP 128 Ca 0.04 -2.12 -0.22 0.00 0.71 0.00 0.00 52.55 50.96 1b3w s ASP 128 Cb -0.12 -2.40 -0.13 0.00 1.01 0.00 0.00 42.92 41.27 1b3w s ASP 128 CO 0.02 -1.04 1.64 0.58 0.21 0.00 0.00 175.17 176.58 1b3w h VAL 129 N 5.75 1.11 -4.43 -1.27 2.07 -1.40 -2.34 116.25 115.74 1b3w h VAL 129 Ca 0.17 -0.33 -0.70 0.00 0.82 0.00 0.00 66.70 66.66 1b3w h VAL 129 Cb 1.01 1.20 -0.28 0.00 -1.52 0.00 0.00 31.29 31.70 1b3w h VAL 129 CO 1.12 0.10 -0.87 -0.76 0.02 0.00 0.00 177.57 177.18 1b3w s LEU 130 N -9.93 2.20 -0.05 2.57 1.43 -1.15 -1.44 118.68 112.31 1b3w s LEU 130 Ca -0.14 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1b3w s LEU 130 Cb 0.06 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.92 1b3w s LEU 130 CO 0.68 0.31 -0.09 0.21 0.23 0.00 0.00 176.35 177.69 1b3w s ASN 131 N -0.80 1.37 -1.11 2.29 2.47 -0.33 -1.15 114.94 117.68 1b3w s ASN 131 Ca 0.11 -0.22 -0.24 0.00 0.42 0.00 0.00 52.86 52.93 1b3w s ASN 131 Cb -0.10 -0.59 0.02 0.00 -1.45 0.00 0.00 41.25 39.13 1b3w s ASN 131 CO 0.00 0.01 0.70 -0.62 -3.72 0.00 0.00 177.10 173.48 1b3w n GLU 132 N 3.77 -0.76 -0.39 0.43 1.02 -0.20 -4.57 120.64 119.93 1b3w n GLU 132 Ca -0.23 0.34 0.11 0.00 -0.02 0.00 0.00 57.16 57.37 1b3w n GLU 132 Cb 0.52 -3.03 0.32 0.00 -0.02 0.00 0.00 31.44 29.23 1b3w n GLU 132 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1b3w n ILE 133 N -4.30 1.06 -4.97 -3.67 -5.35 -1.26 -4.86 119.36 96.02 1b3w n ILE 133 Ca -0.14 -0.97 -0.31 0.00 -0.27 0.00 0.00 62.75 61.06 1b3w n ILE 133 Cb 0.59 0.42 -0.14 0.00 -1.74 0.00 0.00 39.64 38.77 1b3w n ILE 133 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1b3w s PHE 134 N -1.16 2.42 0.61 4.28 0.08 -1.26 -0.05 117.98 122.89 1b3w s PHE 134 Ca 0.48 -0.36 -0.10 0.00 0.12 0.00 0.00 56.93 57.07 1b3w s PHE 134 Cb 0.26 -1.46 -0.03 0.00 -0.57 0.00 0.00 43.02 41.22 1b3w s PHE 134 CO 0.31 0.11 1.00 -0.80 -0.10 0.00 0.00 175.22 175.74 1b3w s ASN 135 N -1.05 6.06 0.54 1.36 0.01 0.14 -4.69 114.94 117.31 1b3w s ASN 135 Ca 0.12 1.26 0.25 0.00 -0.71 0.00 0.00 52.86 53.78 1b3w s ASN 135 Cb -0.10 -2.30 1.41 0.00 0.41 0.00 0.00 41.25 40.66 1b3w s ASN 135 CO 0.02 -0.92 2.01 -0.33 -1.51 0.00 0.00 177.10 176.37 1b3w h GLU 136 N -0.29 0.00 -0.11 -0.60 4.39 -1.98 -0.89 114.58 115.10 1b3w h GLU 136 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1b3w h GLU 136 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1b3w h GLU 136 CO 0.62 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 178.07 1b3w n ASP 137 N -4.33 0.59 0.00 1.42 5.75 -1.26 -2.03 116.55 116.69 1b3w n ASP 137 Ca 0.08 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1b3w n ASP 137 Cb 0.54 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1b3w n ASP 137 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b3w n GLY 138 N 0.69 2.41 3.85 6.12 0.00 -0.34 -4.73 105.19 113.19 1b3w n GLY 138 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1b3w n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b3w s SER 139 N -1.70 5.48 0.16 1.61 1.04 -1.26 -4.61 113.70 114.42 1b3w s SER 139 Ca 0.00 1.35 -0.30 0.00 0.48 0.00 0.00 55.95 57.48 1b3w s SER 139 Cb 0.00 -2.23 -0.08 0.00 0.10 0.00 0.00 66.02 63.82 1b3w s SER 139 CO 0.00 -1.35 1.22 -0.76 0.98 0.00 0.00 173.24 173.34 1b3w s LEU 140 N -5.43 4.43 0.28 2.42 1.43 -1.26 0.24 118.68 120.78 1b3w s LEU 140 Ca 0.58 2.22 -0.29 0.00 -1.03 0.00 0.00 54.13 55.60 1b3w s LEU 140 Cb -0.12 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.40 1b3w s LEU 140 CO 0.54 -0.43 1.32 -0.60 0.23 0.00 0.00 176.35 177.41 1b3w s ARG 141 N 0.11 4.36 -1.35 1.70 3.52 0.93 -4.67 118.95 123.55 1b3w s ARG 141 Ca 0.55 2.17 -0.11 0.00 -0.13 0.00 0.00 55.73 58.22 1b3w s ARG 141 Cb -0.33 -3.12 0.11 0.00 -1.56 0.00 0.00 34.95 30.06 1b3w s ARG 141 CO 0.35 -0.23 2.07 0.09 -0.81 0.00 0.00 175.30 176.77 1b3w n ASN 142 N 1.61 5.06 -4.76 -2.12 3.02 -1.26 -4.65 115.26 112.15 1b3w n ASN 142 Ca 0.03 -3.01 -0.26 0.00 -0.03 0.00 0.00 54.58 51.32 1b3w n ASN 142 Cb 0.42 -1.53 0.09 0.00 -0.61 0.00 0.00 39.78 38.15 1b3w n ASN 142 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1b3w s SER 143 N 1.60 4.49 0.34 6.41 1.04 -1.26 -4.76 113.70 121.56 1b3w s SER 143 Ca 0.44 0.23 0.05 0.00 0.48 0.00 0.00 55.95 57.16 1b3w s SER 143 Cb 0.12 -0.75 0.70 0.00 0.10 0.00 0.00 66.02 66.19 1b3w s SER 143 CO -0.03 -1.80 1.90 1.62 0.98 0.00 0.00 173.24 175.91 1b3w h VAL 144 N -0.70 0.96 -0.64 5.02 3.04 -1.92 0.20 116.25 122.20 1b3w h VAL 144 Ca -0.43 -0.28 -0.03 0.00 -1.01 0.00 0.00 66.70 64.95 1b3w h VAL 144 Cb 1.29 0.06 -0.03 0.00 -2.01 0.00 0.00 31.29 30.61 1b3w h VAL 144 CO 0.52 0.15 0.26 -0.26 -1.01 0.00 0.00 177.57 177.24 1b3w h PHE 145 N 0.82 0.96 -0.09 3.17 0.04 -1.95 0.16 116.94 120.06 1b3w h PHE 145 Ca 0.40 -0.07 -0.14 0.00 2.80 0.00 0.00 57.97 60.96 1b3w h PHE 145 Cb 0.43 -0.29 0.01 0.00 2.20 0.00 0.00 35.95 38.30 1b3w h PHE 145 CO -0.00 0.75 -0.50 -0.92 -0.60 0.00 0.00 178.31 177.05 1b3w h TYR 146 N 0.89 0.68 -0.10 -0.55 3.20 -1.45 -0.32 116.97 119.32 1b3w h TYR 146 Ca 0.21 -0.30 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1b3w h TYR 146 Cb 0.19 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 1b3w h TYR 146 CO 0.01 1.08 0.02 -0.91 -1.64 0.00 0.00 178.16 176.73 1b3w h ASN 147 N 0.08 0.16 0.06 -2.11 2.35 -0.53 -0.98 115.58 114.60 1b3w h ASN 147 Ca -0.04 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1b3w h ASN 147 Cb 1.15 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.48 1b3w h ASN 147 CO 0.10 0.35 -0.03 0.58 -1.65 0.00 0.00 177.43 176.78 1b3w h VAL 148 N -0.04 1.14 0.10 2.81 2.07 -0.76 -3.39 116.25 118.18 1b3w h VAL 148 Ca 0.03 -1.57 -0.32 0.00 0.82 0.00 0.00 66.70 65.67 1b3w h VAL 148 Cb 0.25 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1b3w h VAL 148 CO 0.00 0.34 -1.65 0.40 0.02 0.00 0.00 177.57 176.69 1b3w h ILE 149 N -0.89 1.01 0.00 4.57 2.04 -1.20 -3.41 117.51 119.62 1b3w h ILE 149 Ca -0.01 -2.69 0.00 0.00 1.00 0.00 0.00 64.86 63.16 1b3w h ILE 149 Cb 0.62 2.67 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1b3w h ILE 149 CO 0.01 0.79 0.00 0.61 0.00 0.00 0.00 178.15 179.56 1b3w n GLY 150 N 1.72 -1.77 0.19 5.37 0.00 -0.37 -4.40 105.19 105.92 1b3w n GLY 150 Ca -0.19 -1.92 0.14 0.00 0.00 0.00 0.00 46.02 44.05 1b3w n GLY 150 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1b3w h GLU 151 N 0.00 0.00 0.00 1.61 4.81 -1.90 -2.57 114.58 116.53 1b3w h GLU 151 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1b3w h GLU 151 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1b3w h GLU 151 CO 0.00 0.00 0.00 0.22 -0.73 0.00 0.00 179.01 178.50 1b3w h ASP 152 N 0.00 0.00 0.05 1.04 3.58 -1.96 -2.73 116.42 116.41 1b3w h ASP 152 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1b3w h ASP 152 Cb 0.20 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 1b3w h ASP 152 CO 0.00 0.00 -0.04 0.10 -2.88 0.00 0.00 179.24 176.42 1b3w h TYR 153 N 0.00 0.00 -0.24 0.28 -0.00 -1.72 -1.18 116.97 114.11 1b3w h TYR 153 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 1b3w h TYR 153 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.00 1b3w h TYR 153 CO 0.00 0.04 0.10 0.28 -0.00 0.00 0.00 178.16 178.57 1b3w h VAL 154 N 0.00 1.17 0.10 -0.90 2.07 -1.74 0.13 116.25 117.08 1b3w h VAL 154 Ca -0.00 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1b3w h VAL 154 Cb 0.08 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1b3w h VAL 154 CO 0.01 0.17 -0.05 -0.09 0.02 0.00 0.00 177.57 177.63 1b3w h ARG 155 N 0.24 -0.13 -0.82 1.57 2.43 -1.56 -2.38 114.38 113.72 1b3w h ARG 155 Ca 0.08 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.39 1b3w h ARG 155 Cb 0.18 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.67 1b3w h ARG 155 CO -0.01 0.13 0.43 0.82 -1.51 0.00 0.00 179.97 179.83 1b3w h ILE 156 N -0.39 0.78 0.53 1.20 2.04 -1.06 -0.64 117.51 119.98 1b3w h ILE 156 Ca -0.01 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1b3w h ILE 156 Cb 0.32 0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1b3w h ILE 156 CO 0.02 0.12 -0.26 0.00 0.00 0.00 0.00 178.15 178.04 1b3w h ALA 157 N 1.52 -0.72 -0.61 1.87 0.00 -0.64 -2.23 119.26 118.46 1b3w h ALA 157 Ca 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1b3w h ALA 157 Cb 0.55 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1b3w h ALA 157 CO -0.33 -0.78 0.34 0.74 0.00 0.00 0.00 179.25 179.23 1b3w h PHE 158 N -0.97 0.84 -0.69 0.00 0.04 -1.29 -0.69 116.94 114.17 1b3w h PHE 158 Ca -0.07 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.64 1b3w h PHE 158 Cb 0.63 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 1b3w h PHE 158 CO 0.00 0.60 0.28 0.93 -0.60 0.00 0.00 178.31 179.51 1b3w h GLU 159 N 0.83 1.01 0.00 1.51 5.08 -1.18 0.17 114.58 122.01 1b3w h GLU 159 Ca 0.22 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1b3w h GLU 159 Cb 0.03 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1b3w h GLU 159 CO -0.04 0.82 -0.00 1.15 -1.00 0.00 0.00 179.01 179.95 1b3w h THR 160 N 0.99 1.28 -0.38 1.13 2.02 -1.07 -2.58 112.91 114.29 1b3w h THR 160 Ca 0.23 -0.82 0.07 0.00 0.77 0.00 0.00 66.41 66.67 1b3w h THR 160 Cb 0.19 1.83 -0.06 0.00 -1.74 0.00 0.00 68.15 68.36 1b3w h THR 160 CO -0.02 0.21 -0.01 0.00 0.37 0.00 0.00 175.52 176.07 1b3w h ALA 161 N 0.65 0.34 -0.99 6.16 0.00 -0.75 -0.25 119.26 124.42 1b3w h ALA 161 Ca -0.00 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1b3w h ALA 161 Cb 0.35 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 1b3w h ALA 161 CO 0.00 -0.40 0.63 -0.09 0.00 0.00 0.00 179.25 179.38 1b3w h ARG 162 N 0.09 1.03 0.11 0.00 9.65 -0.64 -1.85 114.38 122.77 1b3w h ARG 162 Ca 0.19 -0.06 -0.28 0.00 -1.10 0.00 0.00 59.98 58.73 1b3w h ARG 162 Cb 0.27 -0.23 0.02 0.00 -1.39 0.00 0.00 29.97 28.63 1b3w h ARG 162 CO -0.33 0.68 -1.20 0.66 2.80 0.00 0.00 179.97 182.59 1b3w h SER 163 N 1.06 0.67 -0.59 -3.80 4.64 -0.90 -2.59 113.55 112.04 1b3w h SER 163 Ca 0.46 -0.63 -0.06 0.00 -0.47 0.00 0.00 61.79 61.09 1b3w h SER 163 Cb 0.33 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 1b3w h SER 163 CO -0.22 1.46 0.15 0.58 -0.87 0.00 0.00 176.83 177.93 1b3w h VAL 164 N 0.20 1.25 -1.96 0.95 2.07 -0.72 -3.39 116.25 114.65 1b3w h VAL 164 Ca -0.15 -0.89 -0.42 0.00 0.82 0.00 0.00 66.70 66.05 1b3w h VAL 164 Cb 1.88 0.70 -0.31 0.00 -1.52 0.00 0.00 31.29 32.04 1b3w h VAL 164 CO 0.22 0.33 -0.77 -0.62 0.02 0.00 0.00 177.57 176.75 1b3w s ASP 165 N -6.26 0.87 0.00 0.57 -1.08 -0.73 -4.84 116.67 105.20 1b3w s ASP 165 Ca -0.13 -2.19 0.09 0.00 -0.52 0.00 0.00 52.55 49.81 1b3w s ASP 165 Cb 0.13 0.39 0.54 0.00 -1.46 0.00 0.00 42.92 42.52 1b3w s ASP 165 CO 0.82 -0.19 1.07 -0.81 0.52 0.00 0.00 175.17 176.57 1b3w n PRO 166 N 3.47 0.25 0.03 4.34 -0.04 -0.97 -2.34 135.00 139.73 1b3w n PRO 166 Ca 0.19 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 1b3w n PRO 166 Cb 0.48 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.55 1b3w n PRO 166 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1b3w n ASN 167 N -1.08 0.63 -4.89 3.54 5.15 -1.26 -4.93 115.26 112.42 1b3w n ASN 167 Ca 0.06 -0.15 -0.30 0.00 -0.60 0.00 0.00 54.58 53.60 1b3w n ASN 167 Cb 0.04 0.49 -0.04 0.00 -0.53 0.00 0.00 39.78 39.75 1b3w n ASN 167 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b3w s ALA 168 N -3.14 3.51 -0.27 5.20 0.00 -0.99 -4.86 121.76 121.21 1b3w s ALA 168 Ca 0.06 -0.36 -0.20 0.00 0.00 0.00 0.00 51.96 51.46 1b3w s ALA 168 Cb 0.15 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.78 1b3w s ALA 168 CO 0.76 0.22 0.61 0.15 0.00 0.00 0.00 175.76 177.50 1b3w s LYS 169 N -3.47 4.04 -0.23 0.00 -0.14 -0.01 -4.93 119.74 115.00 1b3w s LYS 169 Ca 0.47 0.44 -0.26 0.00 -1.36 0.00 0.00 55.97 55.26 1b3w s LYS 169 Cb -0.11 -3.67 0.00 0.00 -1.68 0.00 0.00 37.83 32.37 1b3w s LYS 169 CO 0.28 -0.45 0.92 -0.51 -0.76 0.00 0.00 175.35 174.82 1b3w s LEU 170 N 2.51 4.09 0.22 3.17 1.43 -1.26 -0.98 118.68 127.87 1b3w s LEU 170 Ca 0.25 1.18 0.10 0.00 -1.03 0.00 0.00 54.13 54.64 1b3w s LEU 170 Cb -0.15 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 1b3w s LEU 170 CO 0.10 -0.57 -0.14 -0.31 0.23 0.00 0.00 176.35 175.66 1b3w s TYR 171 N 2.95 2.49 -0.18 0.29 1.51 0.05 -1.06 117.35 123.39 1b3w s TYR 171 Ca 0.39 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 56.18 1b3w s TYR 171 Cb -0.15 -1.16 0.03 0.00 -0.11 0.00 0.00 41.96 40.57 1b3w s TYR 171 CO 0.07 0.58 -0.13 -1.50 -1.11 0.00 0.00 175.55 173.47 1b3w s ILE 172 N -2.02 1.69 0.06 2.71 2.07 -1.09 -1.01 121.20 123.61 1b3w s ILE 172 Ca 0.26 -0.89 0.03 0.00 -1.41 0.00 0.00 60.65 58.64 1b3w s ILE 172 Cb -0.07 -1.67 -0.04 0.00 0.13 0.00 0.00 42.46 40.81 1b3w s ILE 172 CO 0.15 0.30 0.04 0.21 -1.91 0.00 0.00 174.94 173.74 1b3w s ASN 173 N 1.40 5.33 -0.06 4.50 2.47 -0.30 -0.00 114.94 128.29 1b3w s ASN 173 Ca 0.01 -0.04 -0.29 0.00 0.42 0.00 0.00 52.86 52.96 1b3w s ASN 173 Cb -0.15 -1.40 0.11 0.00 -1.45 0.00 0.00 41.25 38.37 1b3w s ASN 173 CO -0.09 0.20 0.92 -0.62 -3.72 0.00 0.00 177.10 173.79 1b3w s ASP 174 N -2.14 -0.38 0.38 -4.21 -1.08 -0.67 -1.04 116.67 107.54 1b3w s ASP 174 Ca 0.26 0.16 0.08 0.00 -0.52 0.00 0.00 52.55 52.52 1b3w s ASP 174 Cb -0.12 0.36 -0.02 0.00 -1.46 0.00 0.00 42.92 41.69 1b3w s ASP 174 CO 0.18 -0.53 0.37 -0.72 0.52 0.00 0.00 175.17 174.99 1b3w s TYR 175 N -2.41 2.82 -0.89 -5.34 1.13 -1.26 -1.15 117.35 110.26 1b3w s TYR 175 Ca 0.02 -0.39 0.00 0.00 -1.41 0.00 0.00 57.07 55.29 1b3w s TYR 175 Cb -0.01 -2.03 0.00 0.00 -1.10 0.00 0.00 41.96 38.82 1b3w s TYR 175 CO -0.05 -0.02 0.00 0.09 -2.51 0.00 0.00 175.55 173.06 1b3w n ASN 176 N -1.52 -3.69 -2.68 -0.18 3.02 -1.26 -4.91 115.26 104.04 1b3w n ASN 176 Ca 0.02 0.13 -0.37 0.00 -0.03 0.00 0.00 54.58 54.33 1b3w n ASN 176 Cb 0.60 -2.41 0.04 0.00 -0.61 0.00 0.00 39.78 37.41 1b3w n ASN 176 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1b3w n LEU 177 N -1.15 7.15 -1.26 3.41 4.77 -1.26 -4.55 117.00 124.10 1b3w n LEU 177 Ca -0.10 -4.74 0.12 0.00 -0.03 0.00 0.00 56.01 51.26 1b3w n LEU 177 Cb 0.42 -0.94 0.27 0.00 -2.33 0.00 0.00 43.42 40.84 1b3w n LEU 177 CO 0.13 1.76 0.74 0.47 -1.33 0.00 0.00 177.39 179.16 1b3w n ASP 178 N -0.64 3.70 -3.64 -1.43 8.00 -1.26 -4.73 116.55 116.56 1b3w n ASP 178 Ca 0.54 -2.00 -0.05 0.00 0.71 0.00 0.00 54.79 54.00 1b3w n ASP 178 Cb 0.42 -0.37 -0.07 0.00 -0.02 0.00 0.00 41.12 41.08 1b3w n ASP 178 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1b3w s SER 179 N -1.24 -0.71 0.26 -2.24 1.04 -1.26 -3.62 113.70 105.94 1b3w s SER 179 Ca 0.44 1.14 -0.30 0.00 0.48 0.00 0.00 55.95 57.71 1b3w s SER 179 Cb 0.24 1.29 -0.14 0.00 0.10 0.00 0.00 66.02 67.51 1b3w s SER 179 CO 0.33 -0.18 1.27 0.00 0.98 0.00 0.00 173.24 175.63 1b3w n ALA 180 N 3.94 0.63 0.00 5.32 0.00 -1.26 -1.61 120.51 127.53 1b3w n ALA 180 Ca -0.19 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1b3w n ALA 180 Cb 0.58 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1b3w n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b3w n GLY 181 N 1.63 2.79 3.74 0.00 0.00 -1.26 -4.96 105.19 107.12 1b3w n GLY 181 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1b3w n GLY 181 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b3w s TYR 182 N -2.41 3.06 0.32 1.61 5.04 -0.63 -4.83 117.35 119.51 1b3w s TYR 182 Ca 0.00 0.96 0.07 0.00 -2.44 0.00 0.00 57.07 55.66 1b3w s TYR 182 Cb 0.00 -3.81 0.89 0.00 0.35 0.00 0.00 41.96 39.39 1b3w s TYR 182 CO 0.00 -2.72 1.61 0.66 -1.34 0.00 0.00 175.55 173.75 1b3w h SER 183 N 5.51 -0.06 -0.01 4.32 4.64 -1.90 0.25 113.55 126.29 1b3w h SER 183 Ca -0.45 0.24 -0.10 0.00 -0.47 0.00 0.00 61.79 61.01 1b3w h SER 183 Cb 1.21 0.34 -0.01 0.00 -0.31 0.00 0.00 62.40 63.63 1b3w h SER 183 CO 0.81 -0.29 -0.28 0.50 -0.87 0.00 0.00 176.83 176.70 1b3w h LYS 184 N 0.10 0.44 -0.32 4.77 3.64 -1.70 0.16 116.57 123.66 1b3w h LYS 184 Ca 0.65 -0.17 -0.07 0.00 -1.27 0.00 0.00 60.65 59.79 1b3w h LYS 184 Cb 1.44 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 1b3w h LYS 184 CO -0.77 0.69 -0.06 0.28 -2.27 0.00 0.00 179.45 177.32 1b3w h VAL 185 N 0.39 1.27 -0.32 2.00 2.07 -0.78 -0.05 116.25 120.84 1b3w h VAL 185 Ca 0.05 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.45 1b3w h VAL 185 Cb 0.69 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1b3w h VAL 185 CO 0.05 0.35 0.05 0.78 0.02 0.00 0.00 177.57 178.83 1b3w h ASN 186 N 0.39 0.51 -0.81 0.57 2.35 -1.05 -0.82 115.58 116.72 1b3w h ASN 186 Ca 0.08 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1b3w h ASN 186 Cb 0.54 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 1b3w h ASN 186 CO 0.03 0.64 0.53 1.23 -1.65 0.00 0.00 177.43 178.21 1b3w h GLY 187 N 0.36 1.13 0.73 2.83 0.00 -0.88 0.29 103.07 107.53 1b3w h GLY 187 Ca 0.10 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1b3w h GLY 187 CO 0.01 0.41 -0.02 1.98 0.00 0.00 0.00 176.54 178.91 1b3w h MET 188 N 1.08 0.20 -0.05 4.80 1.85 -0.79 -2.61 114.93 119.41 1b3w h MET 188 Ca 0.30 -0.07 -0.00 0.00 -0.61 0.00 0.00 59.70 59.31 1b3w h MET 188 Cb -0.11 -0.01 -0.00 0.00 0.43 0.00 0.00 31.60 31.90 1b3w h MET 188 CO -0.07 0.49 0.03 0.28 -0.40 0.00 0.00 176.91 177.25 1b3w h VAL 189 N -0.11 1.08 -0.56 -5.77 2.07 -0.65 -1.74 116.25 110.57 1b3w h VAL 189 Ca 0.03 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1b3w h VAL 189 Cb 0.42 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1b3w h VAL 189 CO 0.01 0.07 0.25 0.77 0.02 0.00 0.00 177.57 178.69 1b3w h SER 190 N -0.01 0.76 -0.32 0.57 4.64 -1.04 -1.93 113.55 116.23 1b3w h SER 190 Ca 0.02 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.16 1b3w h SER 190 Cb 0.09 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1b3w h SER 190 CO -0.00 0.70 0.07 0.45 -0.87 0.00 0.00 176.83 177.18 1b3w h HIS 191 N 0.77 0.53 -0.79 4.77 3.86 -1.44 -2.35 115.15 120.51 1b3w h HIS 191 Ca 0.19 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1b3w h HIS 191 Cb 0.16 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 1b3w h HIS 191 CO 0.00 0.56 0.45 0.28 0.86 0.00 0.00 177.93 180.08 1b3w h VAL 192 N 0.35 1.23 -0.45 2.45 2.07 -1.15 0.90 116.25 121.65 1b3w h VAL 192 Ca 0.10 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 1b3w h VAL 192 Cb 0.30 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1b3w h VAL 192 CO 0.00 0.25 0.13 0.11 0.02 0.00 0.00 177.57 178.08 1b3w h LYS 193 N 1.09 0.70 0.50 1.57 1.57 -1.25 0.96 116.57 121.71 1b3w h LYS 193 Ca 0.28 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1b3w h LYS 193 Cb 0.00 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1b3w h LYS 193 CO -0.05 0.68 -0.31 -0.22 -0.57 0.00 0.00 179.45 178.99 1b3w h LYS 194 N 0.59 -0.74 -0.49 3.15 3.64 -0.84 -0.88 116.57 121.00 1b3w h LYS 194 Ca 0.14 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 1b3w h LYS 194 Cb 0.28 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1b3w h LYS 194 CO -0.00 -0.50 0.23 -1.49 -2.27 0.00 0.00 179.45 175.43 1b3w h TRP 195 N -0.77 0.43 -0.79 1.91 6.55 -0.71 -1.83 115.95 120.74 1b3w h TRP 195 Ca -0.06 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.80 1b3w h TRP 195 Cb 0.63 -0.12 -0.04 0.00 -0.86 0.00 0.00 29.16 28.77 1b3w h TRP 195 CO -0.09 0.20 0.48 -0.07 -1.05 0.00 0.00 178.44 177.91 1b3w h LEU 196 N 0.46 0.94 -2.08 -4.49 3.38 -0.71 -1.00 115.31 111.80 1b3w h LEU 196 Ca 0.22 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1b3w h LEU 196 Cb 0.14 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1b3w h LEU 196 CO -0.17 0.72 -0.05 0.00 0.09 0.00 0.00 178.44 179.04 1b3w h ALA 197 N 1.26 1.10 -0.01 1.53 0.00 -0.41 -1.07 119.26 121.66 1b3w h ALA 197 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1b3w h ALA 197 Cb -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1b3w h ALA 197 CO -0.05 0.06 -0.24 0.00 0.00 0.00 0.00 179.25 179.02 1b3w n ALA 198 N -2.16 3.03 -0.26 0.00 0.00 -0.45 -4.94 120.51 115.74 1b3w n ALA 198 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1b3w n ALA 198 Cb 0.21 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1b3w n ALA 198 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b3w n GLY 199 N 1.34 0.87 3.66 0.00 0.00 -0.41 -5.05 105.19 105.62 1b3w n GLY 199 Ca 0.12 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1b3w n GLY 199 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b3w s ILE 200 N -2.00 4.22 -0.84 -0.61 1.01 -0.81 -4.91 121.20 117.26 1b3w s ILE 200 Ca 0.00 1.50 -0.25 0.00 0.00 0.00 0.00 60.65 61.89 1b3w s ILE 200 Cb 0.00 -3.96 -0.20 0.00 0.01 0.00 0.00 42.46 38.31 1b3w s ILE 200 CO 0.00 -0.11 1.91 -0.81 0.00 0.00 0.00 174.94 175.94 1b3w n PRO 201 N 6.39 0.87 -3.56 2.79 -0.04 -1.26 -4.45 135.00 135.76 1b3w n PRO 201 Ca 0.14 -1.85 -0.41 0.00 -0.04 0.00 0.00 63.50 61.33 1b3w n PRO 201 Cb 0.45 -3.38 -0.09 0.00 -0.04 0.00 0.00 33.50 30.44 1b3w n PRO 201 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1b3w s ILE 202 N 10.71 4.39 0.11 0.52 1.01 -1.26 -4.75 121.20 131.93 1b3w s ILE 202 Ca 0.70 -1.44 0.09 0.00 0.00 0.00 0.00 60.65 60.00 1b3w s ILE 202 Cb 0.04 -3.72 -0.12 0.00 0.01 0.00 0.00 42.46 38.67 1b3w s ILE 202 CO 0.19 -0.58 1.39 0.44 0.00 0.00 0.00 174.94 176.37 1b3w h ASP 203 N 8.48 0.00 -5.07 3.58 3.32 -1.44 -3.41 116.42 121.88 1b3w h ASP 203 Ca -0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1b3w h ASP 203 Cb 1.08 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.55 1b3w h ASP 203 CO 0.80 0.83 0.09 -0.83 -1.72 0.00 0.00 179.24 178.41 1b3w s GLY 204 N -4.61 -0.09 -0.13 2.75 0.00 -0.74 -1.90 107.32 102.60 1b3w s GLY 204 Ca 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 44.72 44.51 1b3w s GLY 204 CO 0.79 -0.20 -0.15 -0.42 0.00 0.00 0.00 173.10 173.12 1b3w s ILE 205 N -3.89 2.81 -0.19 0.90 1.01 -1.04 -2.68 121.20 118.13 1b3w s ILE 205 Ca 0.10 -0.74 -0.08 0.00 0.00 0.00 0.00 60.65 59.93 1b3w s ILE 205 Cb -0.02 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1b3w s ILE 205 CO 0.00 0.53 0.08 -0.83 0.00 0.00 0.00 174.94 174.72 1b3w s GLY 206 N 0.46 1.94 -0.29 6.18 0.00 1.00 -1.74 107.32 114.86 1b3w s GLY 206 Ca -0.11 -0.73 -0.00 0.00 0.00 0.00 0.00 44.72 43.88 1b3w s GLY 206 CO 0.05 0.08 -0.02 -0.45 0.00 0.00 0.00 173.10 172.76 1b3w s SER 207 N 0.37 4.77 0.15 1.64 0.15 0.25 -1.67 113.70 119.35 1b3w s SER 207 Ca 0.04 -1.37 -0.24 0.00 0.70 0.00 0.00 55.95 55.09 1b3w s SER 207 Cb -0.12 -1.67 0.03 0.00 -1.71 0.00 0.00 66.02 62.55 1b3w s SER 207 CO -0.00 -0.25 1.61 1.56 1.20 0.00 0.00 173.24 177.35 1b3w h GLN 208 N 7.92 -0.28 -4.64 5.44 4.20 -1.42 -0.78 115.11 125.55 1b3w h GLN 208 Ca -0.20 0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.37 1b3w h GLN 208 Cb 1.05 0.06 0.13 0.00 0.30 0.00 0.00 27.48 29.03 1b3w h GLN 208 CO 0.52 -0.19 -0.57 2.41 -0.67 0.00 0.00 178.83 180.32 1b3w n THR 209 N -5.40 -6.48 -3.26 -0.54 -1.04 -1.26 -0.87 114.28 95.41 1b3w n THR 209 Ca -0.01 -0.91 -0.46 0.00 -2.04 0.00 0.00 64.05 60.64 1b3w n THR 209 Cb 0.32 -5.37 -0.04 0.00 -1.82 0.00 0.00 70.33 63.42 1b3w n THR 209 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1b3w s HIS 210 N -3.26 3.26 0.25 -1.42 3.76 -1.26 -2.64 115.29 113.97 1b3w s HIS 210 Ca 0.31 -1.31 0.07 0.00 -0.15 0.00 0.00 55.06 53.97 1b3w s HIS 210 Cb -0.04 -3.86 -0.03 0.00 1.11 0.00 0.00 32.58 29.76 1b3w s HIS 210 CO 0.49 -1.08 0.23 -0.51 -0.85 0.00 0.00 174.74 173.02 1b3w s LEU 211 N 1.68 3.92 0.50 0.89 1.43 0.14 -4.91 118.68 122.33 1b3w s LEU 211 Ca 0.07 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1b3w s LEU 211 Cb -0.26 -2.45 0.03 0.00 0.03 0.00 0.00 46.19 43.54 1b3w s LEU 211 CO 0.02 -0.04 0.70 -0.83 0.23 0.00 0.00 176.35 176.43 1b3w s GLY 212 N -3.87 1.87 0.25 -3.19 0.00 -1.26 -1.60 107.32 99.52 1b3w s GLY 212 Ca 0.33 -1.48 -0.30 0.00 0.00 0.00 0.00 44.72 43.27 1b3w s GLY 212 CO 0.26 -1.23 1.43 0.00 0.00 0.00 0.00 173.10 173.55 1b3w s ALA 213 N -2.61 3.61 0.00 3.20 0.00 -1.21 -2.79 121.76 121.96 1b3w s ALA 213 Ca 0.57 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.84 1b3w s ALA 213 Cb -0.10 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1b3w s ALA 213 CO 0.36 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1b3w n GLY 214 N 2.12 0.76 0.65 0.00 0.00 -1.26 -4.93 105.19 102.53 1b3w n GLY 214 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1b3w n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3w n ALA 215 N -0.45 2.60 -0.01 4.61 0.00 -1.12 -4.50 120.51 121.65 1b3w n ALA 215 Ca 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 53.44 52.79 1b3w n ALA 215 Cb 0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.39 1b3w n ALA 215 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1b3w h GLY 216 N 4.80 0.10 1.39 0.00 0.00 -1.82 -3.05 103.07 104.50 1b3w h GLY 216 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.42 1b3w h GLY 216 CO 0.00 -0.03 0.24 1.48 0.00 0.00 0.00 176.54 178.23 1b3w h SER 217 N 0.02 0.00 0.91 0.19 4.64 -1.85 -1.12 113.55 116.35 1b3w h SER 217 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1b3w h SER 217 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1b3w h SER 217 CO -0.10 0.00 -0.12 0.00 -0.87 0.00 0.00 176.83 175.74 1b3w n ALA 218 N -2.39 2.61 -0.19 5.18 0.00 -1.15 -4.02 120.51 120.54 1b3w n ALA 218 Ca 0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 1b3w n ALA 218 Cb 0.38 -1.39 0.09 0.00 0.00 0.00 0.00 19.45 18.53 1b3w n ALA 218 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b3w h VAL 219 N 0.00 1.26 -0.37 0.00 2.07 -1.26 -3.19 116.25 114.75 1b3w h VAL 219 Ca 0.00 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.57 1b3w h VAL 219 Cb 0.52 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 1b3w h VAL 219 CO 0.00 0.38 -0.06 0.00 0.02 0.00 0.00 177.57 177.91 1b3w h ALA 220 N 1.14 0.28 -0.27 1.67 0.00 -1.76 -1.65 119.26 118.67 1b3w h ALA 220 Ca 0.18 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1b3w h ALA 220 Cb 0.44 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1b3w h ALA 220 CO 0.01 -0.44 -0.12 0.78 0.00 0.00 0.00 179.25 179.49 1b3w h GLY 221 N 0.03 0.48 0.92 0.00 0.00 -1.82 -1.25 103.07 101.43 1b3w h GLY 221 Ca 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1b3w h GLY 221 CO -0.36 0.30 0.13 0.00 0.00 0.00 0.00 176.54 176.61 1b3w h ALA 222 N 1.47 0.44 -0.52 3.60 0.00 -1.41 0.24 119.26 123.08 1b3w h ALA 222 Ca 0.08 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1b3w h ALA 222 Cb 0.46 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1b3w h ALA 222 CO 0.03 0.05 0.32 -0.07 0.00 0.00 0.00 179.25 179.58 1b3w h LEU 223 N 0.40 0.54 -0.70 0.00 3.38 -0.75 0.16 115.31 118.33 1b3w h LEU 223 Ca 0.11 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1b3w h LEU 223 Cb 0.20 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1b3w h LEU 223 CO -0.01 0.38 0.46 0.78 0.09 0.00 0.00 178.44 180.14 1b3w h ASN 224 N 0.65 0.77 -0.49 -0.43 2.35 -0.93 -1.18 115.58 116.33 1b3w h ASN 224 Ca 0.20 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1b3w h ASN 224 Cb -0.02 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 1b3w h ASN 224 CO -0.07 0.55 0.15 0.00 -1.65 0.00 0.00 177.43 176.40 1b3w h ALA 225 N 1.28 0.64 -0.30 -0.83 0.00 -0.18 -2.79 119.26 117.06 1b3w h ALA 225 Ca 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1b3w h ALA 225 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1b3w h ALA 225 CO -0.08 0.30 0.14 -0.07 0.00 0.00 0.00 179.25 179.54 1b3w h LEU 226 N 0.65 0.37 -2.76 0.00 3.38 -0.10 -0.99 115.31 115.86 1b3w h LEU 226 Ca 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1b3w h LEU 226 Cb 0.28 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1b3w h LEU 226 CO -0.00 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.85 1b3w h ALA 227 N 1.74 1.24 0.00 1.53 0.00 -0.95 -0.50 119.26 122.32 1b3w h ALA 227 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1b3w h ALA 227 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1b3w h ALA 227 CO -0.01 -0.00 0.00 0.77 0.00 0.00 0.00 179.25 180.00 1b3w h SER 228 N 0.00 0.00 0.06 0.00 0.02 -1.21 -3.09 113.55 109.33 1b3w h SER 228 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1b3w h SER 228 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1b3w h SER 228 CO -0.00 0.00 -0.06 0.00 -1.14 0.00 0.00 176.83 175.63 1b3w h ALA 229 N 2.33 1.89 0.00 3.77 0.00 -1.22 -3.47 119.26 122.56 1b3w h ALA 229 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1b3w h ALA 229 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1b3w h ALA 229 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1b3w n GLY 230 N -1.36 0.85 3.85 0.00 0.00 -1.17 -3.96 105.19 103.41 1b3w n GLY 230 Ca -0.03 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1b3w n GLY 230 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b3w s THR 231 N -2.00 4.48 0.24 2.61 -4.23 -1.26 -4.95 115.64 110.53 1b3w s THR 231 Ca 0.00 0.86 -0.04 0.00 -1.18 0.00 0.00 61.69 61.33 1b3w s THR 231 Cb 0.00 -3.71 0.22 0.00 1.34 0.00 0.00 72.50 70.34 1b3w s THR 231 CO 0.00 -1.00 1.82 0.50 -0.54 0.00 0.00 174.62 175.41 1b3w h LYS 232 N -0.25 0.82 -3.98 3.99 1.63 -1.72 -3.46 116.57 113.61 1b3w h LYS 232 Ca -0.44 -0.05 -0.19 0.00 -0.85 0.00 0.00 60.65 59.12 1b3w h LYS 232 Cb 1.20 -0.19 -0.09 0.00 -0.60 0.00 0.00 32.23 32.55 1b3w h LYS 232 CO 0.60 0.54 -0.20 -1.83 -3.45 0.00 0.00 179.45 175.12 1b3w s GLU 233 N -6.04 1.73 0.20 1.90 -1.05 -0.80 -4.85 118.70 109.79 1b3w s GLU 233 Ca -0.12 -1.57 -0.08 0.00 -0.15 0.00 0.00 54.97 53.05 1b3w s GLU 233 Cb 0.19 0.44 -0.02 0.00 -0.44 0.00 0.00 34.13 34.31 1b3w s GLU 233 CO 0.78 -0.71 0.31 0.96 0.95 0.00 0.00 175.26 177.55 1b3w s ILE 234 N -3.46 0.03 -0.06 1.83 -4.36 0.10 -2.50 121.20 112.76 1b3w s ILE 234 Ca 0.28 -1.55 -0.29 0.00 -0.26 0.00 0.00 60.65 58.83 1b3w s ILE 234 Cb 0.00 -2.12 0.11 0.00 1.25 0.00 0.00 42.46 41.70 1b3w s ILE 234 CO 0.15 -0.13 0.89 0.00 0.24 0.00 0.00 174.94 176.09 1b3w s ALA 235 N -4.03 -1.85 -0.40 2.27 0.00 -0.71 -2.03 121.76 115.01 1b3w s ALA 235 Ca 0.24 1.26 -0.21 0.00 0.00 0.00 0.00 51.96 53.25 1b3w s ALA 235 Cb 0.03 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.11 1b3w s ALA 235 CO 0.06 -0.50 0.65 0.42 0.00 0.00 0.00 175.76 176.39 1b3w s ILE 236 N -2.10 4.84 -0.12 0.00 1.01 -0.93 -0.59 121.20 123.31 1b3w s ILE 236 Ca -0.00 0.34 0.12 0.00 0.00 0.00 0.00 60.65 61.11 1b3w s ILE 236 Cb -0.01 -4.16 -0.24 0.00 0.01 0.00 0.00 42.46 38.07 1b3w s ILE 236 CO -0.02 -0.49 0.37 0.35 0.00 0.00 0.00 174.94 175.15 1b3w n THR 237 N 5.77 1.55 -2.97 2.92 -2.24 -0.30 -1.01 114.28 118.00 1b3w n THR 237 Ca -0.01 -0.79 -0.15 0.00 -2.27 0.00 0.00 64.05 60.83 1b3w n THR 237 Cb 0.48 -0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 67.76 1b3w n THR 237 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1b3w n GLU 238 N -3.01 1.16 -2.18 -0.78 1.02 -0.05 -4.46 120.64 112.34 1b3w n GLU 238 Ca -0.26 -3.40 -0.42 0.00 -0.02 0.00 0.00 57.16 53.06 1b3w n GLU 238 Cb 1.08 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.92 1b3w n GLU 238 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1b3w s LEU 239 N -2.75 4.39 -0.28 -4.62 2.96 -0.12 -4.27 118.68 113.99 1b3w s LEU 239 Ca 0.36 2.36 -0.24 0.00 -0.22 0.00 0.00 54.13 56.39 1b3w s LEU 239 Cb 0.39 -3.60 0.11 0.00 0.50 0.00 0.00 46.19 43.59 1b3w s LEU 239 CO -0.04 -0.61 0.91 1.51 -1.32 0.00 0.00 176.35 176.80 1b3w s ASP 240 N 0.83 -0.58 -0.12 3.68 1.47 -1.08 -0.59 116.67 120.28 1b3w s ASP 240 Ca 0.62 1.08 -0.00 0.00 1.18 0.00 0.00 52.55 55.42 1b3w s ASP 240 Cb -0.37 1.12 0.03 0.00 -0.34 0.00 0.00 42.92 43.35 1b3w s ASP 240 CO 0.33 -0.18 -0.08 -0.63 0.68 0.00 0.00 175.17 175.29 1b3w s ILE 241 N 0.46 1.07 0.18 2.11 1.01 -1.06 -0.68 121.20 124.30 1b3w s ILE 241 Ca 0.00 -0.32 -0.33 0.00 0.00 0.00 0.00 60.65 60.00 1b3w s ILE 241 Cb -0.05 -1.08 -0.15 0.00 0.01 0.00 0.00 42.46 41.19 1b3w s ILE 241 CO -0.06 0.37 1.38 0.00 0.00 0.00 0.00 174.94 176.63 1b3w n ALA 242 N 4.93 0.41 0.00 9.38 0.00 -0.63 -0.10 120.51 134.51 1b3w n ALA 242 Ca -0.13 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1b3w n ALA 242 Cb 0.50 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1b3w n ALA 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b3w n GLY 243 N 2.46 2.95 4.39 0.00 0.00 -0.70 -3.35 105.19 110.96 1b3w n GLY 243 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1b3w n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3w n ALA 244 N -0.41 -1.57 -1.62 4.61 0.00 0.86 -4.89 120.51 117.48 1b3w n ALA 244 Ca 0.00 -0.27 -0.34 0.00 0.00 0.00 0.00 53.44 52.83 1b3w n ALA 244 Cb 0.00 -1.89 0.03 0.00 0.00 0.00 0.00 19.45 17.59 1b3w n ALA 244 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1b3w s SER 245 N -3.76 5.37 0.32 0.00 1.04 -1.26 -4.25 113.70 111.16 1b3w s SER 245 Ca 0.46 2.07 0.02 0.00 0.48 0.00 0.00 55.95 58.98 1b3w s SER 245 Cb -0.26 -2.56 0.53 0.00 0.10 0.00 0.00 66.02 63.83 1b3w s SER 245 CO 1.00 -1.45 1.87 0.28 0.98 0.00 0.00 173.24 175.91 1b3w h SER 246 N 0.53 0.60 -0.29 7.02 0.02 -1.89 -2.44 113.55 117.09 1b3w h SER 246 Ca -0.48 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.35 1b3w h SER 246 Cb 1.25 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 1b3w h SER 246 CO 0.55 0.63 0.14 0.74 -1.14 0.00 0.00 176.83 177.75 1b3w h THR 247 N 0.63 1.15 -0.35 -2.27 2.02 -1.96 0.63 112.91 112.76 1b3w h THR 247 Ca 0.14 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 1b3w h THR 247 Cb 0.29 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1b3w h THR 247 CO 0.00 0.16 0.11 0.44 0.37 0.00 0.00 175.52 176.60 1b3w h ASP 248 N 0.34 0.51 -0.36 4.18 3.32 -1.90 -1.75 116.42 120.76 1b3w h ASP 248 Ca 0.10 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 1b3w h ASP 248 Cb 0.13 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1b3w h ASP 248 CO -0.01 0.58 -0.02 1.88 -1.72 0.00 0.00 179.24 179.95 1b3w h TYR 249 N 0.41 0.71 -0.56 4.55 0.05 -1.32 -1.77 116.97 119.05 1b3w h TYR 249 Ca 0.11 -0.13 -0.08 0.00 0.05 0.00 0.00 58.73 58.68 1b3w h TYR 249 Cb 0.26 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 1b3w h TYR 249 CO 0.01 0.76 0.03 0.28 -1.05 0.00 0.00 178.16 178.20 1b3w h VAL 250 N 0.46 1.25 -0.01 -2.88 2.07 -0.87 0.20 116.25 116.47 1b3w h VAL 250 Ca 0.10 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 1b3w h VAL 250 Cb 0.49 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1b3w h VAL 250 CO 0.02 0.38 0.01 0.78 0.02 0.00 0.00 177.57 178.78 1b3w h ASN 251 N 0.88 0.01 -0.82 0.57 -0.26 -1.22 0.94 115.58 115.67 1b3w h ASN 251 Ca 0.17 -0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 55.82 1b3w h ASN 251 Cb 0.47 -0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.69 1b3w h ASN 251 CO 0.02 0.05 0.36 0.58 -1.06 0.00 0.00 177.43 177.38 1b3w h VAL 252 N -0.03 1.26 -0.66 2.81 2.07 -1.06 0.40 116.25 121.06 1b3w h VAL 252 Ca 0.00 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 1b3w h VAL 252 Cb 0.04 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1b3w h VAL 252 CO -0.00 0.33 0.25 0.58 0.02 0.00 0.00 177.57 178.75 1b3w h VAL 253 N 1.19 1.24 -0.17 2.57 2.07 -0.71 -2.34 116.25 120.10 1b3w h VAL 253 Ca 0.28 -0.78 -0.14 0.00 0.82 0.00 0.00 66.70 66.88 1b3w h VAL 253 Cb 0.18 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1b3w h VAL 253 CO -0.03 0.31 -0.47 0.78 0.02 0.00 0.00 177.57 178.18 1b3w h ASN 254 N 0.93 0.47 -0.79 0.57 2.35 -0.26 0.53 115.58 119.38 1b3w h ASN 254 Ca 0.22 -0.23 0.11 0.00 -0.55 0.00 0.00 56.30 55.85 1b3w h ASN 254 Cb 0.23 -0.13 -0.08 0.00 0.05 0.00 0.00 38.32 38.39 1b3w h ASN 254 CO -0.01 0.87 0.42 0.00 -1.65 0.00 0.00 177.43 177.06 1b3w h ALA 255 N 1.15 1.13 0.07 -0.83 0.00 0.31 -0.70 119.26 120.39 1b3w h ALA 255 Ca 0.02 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1b3w h ALA 255 Cb 0.96 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.70 1b3w h ALA 255 CO 0.08 -0.00 -0.66 0.00 0.00 0.00 0.00 179.25 178.67 1b3w h LEU 257 N -0.31 0.46 -1.99 0.00 5.85 -0.39 -1.86 115.31 117.09 1b3w h LEU 257 Ca -0.10 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1b3w h LEU 257 Cb 1.45 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.50 1b3w h LEU 257 CO 0.13 0.20 0.00 0.59 -0.34 0.00 0.00 178.44 179.02 1b3w n ASN 258 N -4.90 2.93 -3.95 1.25 3.02 -0.31 -4.75 115.26 108.54 1b3w n ASN 258 Ca 0.16 -2.32 -0.29 0.00 -0.03 0.00 0.00 54.58 52.09 1b3w n ASN 258 Cb 0.41 -0.49 -0.16 0.00 -0.61 0.00 0.00 39.78 38.93 1b3w n ASN 258 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1b3w s GLN 259 N -1.76 1.80 0.46 3.52 2.00 -0.70 -5.03 119.66 119.95 1b3w s GLN 259 Ca 0.26 -0.68 0.22 0.00 -2.00 0.00 0.00 55.36 53.17 1b3w s GLN 259 Cb 0.18 -2.21 1.22 0.00 0.80 0.00 0.00 33.01 33.01 1b3w s GLN 259 CO 0.11 -0.41 1.87 0.00 -0.50 0.00 0.00 175.29 176.36 1b3w h ALA 260 N 8.04 2.41 0.00 1.58 0.00 -1.85 -2.21 119.26 127.23 1b3w h ALA 260 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1b3w h ALA 260 Cb 1.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1b3w h ALA 260 CO 0.45 -0.69 -0.21 0.87 0.00 0.00 0.00 179.25 179.67 1b3w h LYS 261 N 0.26 0.00 -6.38 0.00 1.57 -1.92 -3.44 116.57 106.66 1b3w h LYS 261 Ca 0.45 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.68 1b3w h LYS 261 Cb 1.33 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.57 1b3w h LYS 261 CO -0.12 0.00 1.10 0.00 -0.57 0.00 0.00 179.45 179.86 1b3w h VAL 263 N 6.34 1.00 -2.04 0.00 -1.51 -1.70 -3.46 116.25 114.88 1b3w h VAL 263 Ca -0.27 -2.44 0.30 0.00 -1.23 0.00 0.00 66.70 63.06 1b3w h VAL 263 Cb 1.09 2.48 -0.07 0.00 -2.13 0.00 0.00 31.29 32.65 1b3w h VAL 263 CO 1.20 0.57 0.81 -0.83 -1.23 0.00 0.00 177.57 178.09 1b3w s GLY 264 N -4.54 -0.16 0.00 5.19 0.00 -1.26 -0.03 107.32 106.52 1b3w s GLY 264 Ca 0.03 0.13 0.05 0.00 0.00 0.00 0.00 44.72 44.92 1b3w s GLY 264 CO 0.77 3.51 -0.15 -0.42 0.00 0.00 0.00 173.10 176.81 1b3w s ILE 265 N -2.18 1.18 -0.16 0.90 1.01 -1.07 -2.19 121.20 118.69 1b3w s ILE 265 Ca 0.24 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 1b3w s ILE 265 Cb 0.00 -1.00 0.04 0.00 0.01 0.00 0.00 42.46 41.51 1b3w s ILE 265 CO -0.00 0.26 -0.05 -0.89 0.00 0.00 0.00 174.94 174.26 1b3w s THR 266 N -0.47 1.09 -0.09 2.92 2.01 -0.18 0.08 115.64 121.02 1b3w s THR 266 Ca 0.05 -0.61 -0.27 0.00 0.31 0.00 0.00 61.69 61.16 1b3w s THR 266 Cb -0.06 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 1b3w s THR 266 CO -0.00 0.13 0.88 -0.69 -0.69 0.00 0.00 174.62 174.25 1b3w s VAL 267 N 1.64 4.89 -1.08 3.82 1.01 0.62 -0.94 120.40 130.36 1b3w s VAL 267 Ca 0.01 1.80 -0.16 0.00 0.00 0.00 0.00 61.98 63.63 1b3w s VAL 267 Cb -0.15 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 1b3w s VAL 267 CO -0.08 0.11 2.14 1.87 0.00 0.00 0.00 175.10 179.14 1b3w n TRP 268 N 4.51 2.36 0.00 5.22 -0.00 0.24 -3.33 117.44 126.44 1b3w n TRP 268 Ca 0.05 -2.31 0.00 0.00 -0.00 0.00 0.00 57.50 55.24 1b3w n TRP 268 Cb 0.50 -2.03 0.00 0.00 -0.00 0.00 0.00 31.31 29.77 1b3w n TRP 268 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1b3w n GLY 269 N 4.19 3.43 0.26 5.87 0.00 -1.26 -4.75 105.19 112.93 1b3w n GLY 269 Ca 0.52 -1.82 -0.05 0.00 0.00 0.00 0.00 46.02 44.67 1b3w n GLY 269 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b3w n VAL 270 N -1.51 1.05 -4.28 1.61 0.31 -1.26 -4.61 118.33 109.63 1b3w n VAL 270 Ca 0.00 0.25 -0.30 0.00 -0.01 0.00 0.00 64.34 64.29 1b3w n VAL 270 Cb 0.00 -1.97 -0.11 0.00 -0.91 0.00 0.00 33.84 30.85 1b3w n VAL 270 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b3w s ALA 271 N -2.75 2.79 0.21 3.52 0.00 -1.26 -2.64 121.76 121.63 1b3w s ALA 271 Ca -0.17 -1.31 -0.19 0.00 0.00 0.00 0.00 51.96 50.29 1b3w s ALA 271 Cb 0.02 -0.74 0.19 0.00 0.00 0.00 0.00 23.12 22.59 1b3w s ALA 271 CO 0.25 0.61 1.56 -0.44 0.00 0.00 0.00 175.76 177.74 1b3w h ASP 272 N 3.69 -1.35 -0.46 0.00 3.32 -1.03 -1.30 116.42 119.30 1b3w h ASP 272 Ca -0.49 0.28 0.13 0.00 0.02 0.00 0.00 57.03 56.97 1b3w h ASP 272 Cb 1.17 0.69 -0.02 0.00 0.22 0.00 0.00 39.33 41.39 1b3w h ASP 272 CO 0.48 -0.29 0.45 1.55 -1.72 0.00 0.00 179.24 179.71 1b3w h PRO 273 N -0.07 0.00 -0.25 3.56 0.13 -1.87 0.97 132.00 134.47 1b3w h PRO 273 Ca 0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.43 1b3w h PRO 273 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1b3w h PRO 273 CO -0.87 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 176.65 1b3w n ASP 274 N -3.84 2.46 -4.77 1.44 8.00 -0.50 -4.89 116.55 114.45 1b3w n ASP 274 Ca 0.08 -1.84 -0.39 0.00 0.71 0.00 0.00 54.79 53.36 1b3w n ASP 274 Cb 0.64 -0.16 -0.05 0.00 -0.02 0.00 0.00 41.12 41.53 1b3w n ASP 274 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1b3w s SER 275 N -1.56 7.25 0.00 -2.24 0.15 0.33 -4.91 113.70 112.72 1b3w s SER 275 Ca 0.35 2.05 0.21 0.00 0.70 0.00 0.00 55.95 59.25 1b3w s SER 275 Cb 0.20 -2.60 1.14 0.00 -1.71 0.00 0.00 66.02 63.04 1b3w s SER 275 CO 0.29 -0.14 1.63 -2.67 1.20 0.00 0.00 173.24 173.55 1b3w n TRP 276 N 0.83 0.00 -2.58 3.44 4.27 -1.26 -1.15 117.44 120.99 1b3w n TRP 276 Ca 0.01 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.54 1b3w n TRP 276 Cb 0.47 -0.14 0.04 0.00 -1.36 0.00 0.00 31.31 30.33 1b3w n TRP 276 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1b3w n ARG 277 N -1.14 2.32 -0.31 -2.67 1.74 -1.26 -4.94 116.66 110.40 1b3w n ARG 277 Ca 0.13 -3.72 0.25 0.00 -0.77 0.00 0.00 57.85 53.74 1b3w n ARG 277 Cb 0.11 -1.82 0.56 0.00 -1.02 0.00 0.00 32.46 30.30 1b3w n ARG 277 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1b3w h SER 278 N 2.48 0.35 0.29 0.55 4.64 -1.33 -0.87 113.55 119.67 1b3w h SER 278 Ca 0.02 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1b3w h SER 278 Cb 1.35 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1b3w h SER 278 CO 0.37 0.07 0.00 0.77 -0.87 0.00 0.00 176.83 177.17 1b3w h SER 279 N 0.31 0.00 -0.02 4.97 4.64 -1.89 -1.27 113.55 120.29 1b3w h SER 279 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1b3w h SER 279 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1b3w h SER 279 CO -0.23 0.00 -0.02 -1.54 -0.87 0.00 0.00 176.83 174.17 1b3w n SER 280 N -2.34 2.48 -3.85 4.97 3.41 -0.33 -5.00 113.62 112.95 1b3w n SER 280 Ca -0.00 -1.74 -0.36 0.00 -0.26 0.00 0.00 58.87 56.51 1b3w n SER 280 Cb 0.11 0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.11 1b3w n SER 280 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1b3w n SER 281 N 0.97 -4.22 -1.00 4.04 7.64 -0.48 -1.71 113.62 118.86 1b3w n SER 281 Ca 0.10 -1.11 0.06 0.00 1.01 0.00 0.00 58.87 58.93 1b3w n SER 281 Cb 0.45 -2.75 0.22 0.00 -1.01 0.00 0.00 64.21 61.11 1b3w n SER 281 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1b3w n PRO 282 N -4.50 2.46 -3.89 1.43 -0.04 -1.26 -3.64 135.00 125.56 1b3w n PRO 282 Ca -0.13 -1.74 -0.24 0.00 -0.04 0.00 0.00 63.50 61.35 1b3w n PRO 282 Cb 0.60 -1.54 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 1b3w n PRO 282 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1b3w s LEU 283 N -1.21 3.10 0.32 1.53 1.43 -1.26 -2.55 118.68 120.04 1b3w s LEU 283 Ca 0.32 -1.01 0.25 0.00 -1.03 0.00 0.00 54.13 52.65 1b3w s LEU 283 Cb 0.19 -1.58 0.60 0.00 0.03 0.00 0.00 46.19 45.42 1b3w s LEU 283 CO 0.18 -0.71 1.70 -0.07 0.23 0.00 0.00 176.35 177.68 1b3w h LEU 284 N 1.14 0.00 -8.70 1.79 3.38 -1.89 -3.45 115.31 107.58 1b3w h LEU 284 Ca -0.41 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 56.91 1b3w h LEU 284 Cb 1.27 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.77 1b3w h LEU 284 CO 0.63 0.00 -0.86 -0.36 0.09 0.00 0.00 178.44 177.94 1b3w s PHE 285 N -3.15 2.11 0.03 1.13 0.40 -1.08 -0.41 117.98 117.00 1b3w s PHE 285 Ca 0.09 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 56.02 1b3w s PHE 285 Cb 0.09 -1.23 0.01 0.00 0.51 0.00 0.00 43.02 42.39 1b3w s PHE 285 CO 0.63 0.15 0.04 -0.40 0.70 0.00 0.00 175.22 176.34 1b3w n ASP 286 N 1.61 0.03 0.22 1.36 5.68 -0.07 -0.62 116.55 124.76 1b3w n ASP 286 Ca -0.17 -1.03 0.16 0.00 -0.50 0.00 0.00 54.79 53.25 1b3w n ASP 286 Cb 0.53 -0.03 0.83 0.00 -1.14 0.00 0.00 41.12 41.31 1b3w n ASP 286 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1b3w h GLY 287 N -0.03 0.00 -2.25 6.12 0.00 -1.94 0.24 103.07 105.21 1b3w h GLY 287 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1b3w h GLY 287 CO 0.01 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.25 1b3w n ASN 288 N -3.88 3.35 -2.55 0.19 3.02 -1.26 -4.90 115.26 109.23 1b3w n ASN 288 Ca 0.01 -2.19 -0.20 0.00 -0.03 0.00 0.00 54.58 52.17 1b3w n ASN 288 Cb 0.27 -0.44 -0.00 0.00 -0.61 0.00 0.00 39.78 39.00 1b3w n ASN 288 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1b3w n TYR 289 N 0.91 -1.27 -4.10 3.10 4.02 0.83 -4.98 117.16 115.66 1b3w n TYR 289 Ca 0.19 0.11 -0.31 0.00 -0.01 0.00 0.00 57.90 57.88 1b3w n TYR 289 Cb 0.60 -3.85 -0.07 0.00 -0.02 0.00 0.00 39.34 36.00 1b3w n TYR 289 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1b3w s ASN 290 N -2.19 5.38 0.28 7.72 0.01 -1.26 -4.82 114.94 120.07 1b3w s ASN 290 Ca 0.07 -0.03 -0.30 0.00 -0.71 0.00 0.00 52.86 51.88 1b3w s ASN 290 Cb -0.03 -1.41 -0.12 0.00 0.41 0.00 0.00 41.25 40.09 1b3w s ASN 290 CO 0.08 0.20 1.55 -2.65 -1.51 0.00 0.00 177.10 174.77 1b3w n PRO 291 N 0.67 2.55 -2.55 -0.60 -0.02 -1.26 -0.89 135.00 132.90 1b3w n PRO 291 Ca -0.10 0.91 -0.23 0.00 -2.02 0.00 0.00 63.50 62.05 1b3w n PRO 291 Cb 0.52 -2.66 0.09 0.00 -0.02 0.00 0.00 33.50 31.43 1b3w n PRO 291 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1b3w s LYS 292 N -0.48 1.91 0.21 -0.52 1.02 0.45 -4.80 119.74 117.53 1b3w s LYS 292 Ca 0.65 -0.93 -0.09 0.00 0.02 0.00 0.00 55.97 55.62 1b3w s LYS 292 Cb -0.53 -2.34 0.24 0.00 -0.52 0.00 0.00 37.83 34.68 1b3w s LYS 292 CO 0.49 -1.27 1.83 0.00 -0.92 0.00 0.00 175.35 175.47 1b3w h ALA 293 N -0.42 0.96 -0.85 5.17 0.00 -1.89 -2.69 119.26 119.54 1b3w h ALA 293 Ca -0.39 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.63 1b3w h ALA 293 Cb 1.28 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1b3w h ALA 293 CO 0.45 0.15 0.55 0.00 0.00 0.00 0.00 179.25 180.39 1b3w h ALA 294 N 1.34 1.74 0.02 0.00 0.00 -1.88 -1.29 119.26 119.20 1b3w h ALA 294 Ca 0.31 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1b3w h ALA 294 Cb 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1b3w h ALA 294 CO -0.16 0.08 -0.01 -0.92 0.00 0.00 0.00 179.25 178.24 1b3w h TYR 295 N 0.77 -0.03 -0.82 0.00 5.03 -1.70 -1.20 116.97 119.02 1b3w h TYR 295 Ca 0.40 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.70 1b3w h TYR 295 Cb 0.49 0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.74 1b3w h TYR 295 CO -0.00 0.12 0.48 -0.91 -1.32 0.00 0.00 178.16 176.53 1b3w h ASN 296 N -0.18 1.00 -0.81 -2.11 2.35 -1.42 -1.82 115.58 112.59 1b3w h ASN 296 Ca -0.00 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1b3w h ASN 296 Cb 0.17 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 1b3w h ASN 296 CO 0.01 0.78 0.54 0.00 -1.65 0.00 0.00 177.43 177.10 1b3w h ALA 297 N 1.26 1.03 -0.42 -0.83 0.00 -1.04 -0.15 119.26 119.10 1b3w h ALA 297 Ca 0.29 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1b3w h ALA 297 Cb -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1b3w h ALA 297 CO -0.05 0.44 0.16 0.82 0.00 0.00 0.00 179.25 180.62 1b3w h ILE 298 N 1.10 1.21 -0.42 0.00 2.04 -0.86 -2.35 117.51 118.23 1b3w h ILE 298 Ca 0.30 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.54 1b3w h ILE 298 Cb -0.13 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1b3w h ILE 298 CO -0.06 0.24 0.20 0.00 0.00 0.00 0.00 178.15 178.52 1b3w h ALA 299 N 1.00 0.52 0.00 1.87 0.00 -0.53 -1.80 119.26 120.33 1b3w h ALA 299 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1b3w h ALA 299 Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1b3w h ALA 299 CO -0.01 -0.16 0.00 0.09 0.00 0.00 0.00 179.25 179.17 1b3w n ASN 300 N -4.93 0.00 0.04 0.00 5.03 -0.15 -2.34 115.26 112.92 1b3w n ASN 300 Ca 0.02 -0.19 0.11 0.00 0.87 0.00 0.00 54.58 55.40 1b3w n ASN 300 Cb 0.12 -0.23 -0.04 0.00 -1.02 0.00 0.00 39.78 38.61 1b3w n ASN 300 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1b3w n ALA 301 N -1.23 3.00 0.93 5.41 0.00 -0.70 -5.08 120.51 122.84 1b3w n ALA 301 Ca 0.12 -0.39 0.11 0.00 0.00 0.00 0.00 53.44 53.29 1b3w n ALA 301 Cb 0.16 -0.95 0.09 0.00 0.00 0.00 0.00 19.45 18.75 1b3w n ALA 301 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78