#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wba s LYS 3 N 0.00 1.91 -0.14 -1.46 1.02 -0.95 -4.97 119.74 115.15 2wba s LYS 3 Ca 0.00 -0.94 -0.06 0.00 0.02 0.00 0.00 55.97 54.99 2wba s LYS 3 Cb 0.00 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 2wba s LYS 3 CO 0.00 0.52 0.06 0.00 -0.92 0.00 0.00 175.35 175.00 2wba s ALA 4 N -0.65 3.46 0.01 5.17 0.00 -1.26 0.23 121.76 128.72 2wba s ALA 4 Ca 0.10 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 2wba s ALA 4 Cb -0.10 -1.79 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 2wba s ALA 4 CO -0.00 0.40 -0.02 -0.06 0.00 0.00 0.00 175.76 176.08 2wba s PHE 5 N -0.30 0.17 0.19 0.00 0.08 0.67 -4.96 117.98 113.82 2wba s PHE 5 Ca 0.08 -0.34 -0.09 0.00 0.12 0.00 0.00 56.93 56.70 2wba s PHE 5 Cb -0.12 -0.12 0.09 0.00 -0.57 0.00 0.00 43.02 42.30 2wba s PHE 5 CO 0.02 -0.13 1.69 -0.44 -0.10 0.00 0.00 175.22 176.26 2wba h ASP 6 N 5.17 1.05 -3.47 1.36 3.32 -1.31 -1.76 116.42 120.77 2wba h ASP 6 Ca -0.29 -0.25 -0.34 0.00 0.02 0.00 0.00 57.03 56.16 2wba h ASP 6 Cb 1.21 -0.28 -0.35 0.00 0.22 0.00 0.00 39.33 40.13 2wba h ASP 6 CO 0.44 1.03 -0.74 -0.22 -1.72 0.00 0.00 179.24 178.04 2wba s LEU 7 N -9.49 1.01 -0.19 1.55 2.96 -0.99 -1.23 118.68 112.29 2wba s LEU 7 Ca -0.12 -0.00 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 2wba s LEU 7 Cb 0.14 -0.18 -0.01 0.00 0.50 0.00 0.00 46.19 46.64 2wba s LEU 7 CO 0.85 -0.13 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.97 2wba s VAL 8 N 1.20 3.10 -0.21 1.68 1.01 -0.19 -1.02 120.40 125.97 2wba s VAL 8 Ca -0.07 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 2wba s VAL 8 Cb -0.13 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2wba s VAL 8 CO -0.02 0.46 0.05 -0.69 0.00 0.00 0.00 175.10 174.90 2wba s VAL 9 N 1.19 4.39 -0.42 2.92 1.01 0.84 -0.65 120.40 129.68 2wba s VAL 9 Ca 0.02 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 2wba s VAL 9 Cb -0.14 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.26 2wba s VAL 9 CO -0.03 0.40 0.33 -0.63 0.00 0.00 0.00 175.10 175.17 2wba s ILE 10 N 1.01 5.24 0.00 2.22 1.01 -0.02 -0.95 121.20 129.72 2wba s ILE 10 Ca 0.03 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2wba s ILE 10 Cb -0.14 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.36 2wba s ILE 10 CO 0.03 -0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.21 2wba n GLY 11 N 5.16 1.59 2.72 6.18 0.00 0.57 -1.26 105.19 120.15 2wba n GLY 11 Ca -0.11 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 2wba n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wba n ALA 12 N 1.54 6.44 -2.27 4.61 0.00 -1.18 -4.26 120.51 125.39 2wba n ALA 12 Ca 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 53.44 49.43 2wba n ALA 12 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.29 2wba n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wba n GLY 13 N 0.10 3.06 0.27 0.00 0.00 -1.26 -0.86 105.19 106.50 2wba n GLY 13 Ca 0.52 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 2wba n GLY 13 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wba h SER 14 N 0.00 -0.73 0.09 1.61 0.02 -1.93 -1.19 113.55 111.43 2wba h SER 14 Ca 0.00 0.13 -0.21 0.00 -0.84 0.00 0.00 61.79 60.87 2wba h SER 14 Cb 0.00 0.34 0.02 0.00 0.14 0.00 0.00 62.40 62.90 2wba h SER 14 CO 0.00 -0.27 -0.87 1.23 -1.14 0.00 0.00 176.83 175.77 2wba h GLY 15 N -0.26 0.48 0.89 -3.77 0.00 -1.86 -3.23 103.07 95.33 2wba h GLY 15 Ca 0.12 -1.03 0.03 0.00 0.00 0.00 0.00 47.33 46.46 2wba h GLY 15 CO -0.35 0.90 0.55 -1.33 0.00 0.00 0.00 176.54 176.31 2wba h GLY 16 N -0.11 1.23 1.26 4.60 0.00 -1.72 -2.07 103.07 106.27 2wba h GLY 16 Ca -0.14 -0.42 -0.20 0.00 0.00 0.00 0.00 47.33 46.57 2wba h GLY 16 CO 0.17 0.37 -0.68 1.41 0.00 0.00 0.00 176.54 177.80 2wba h LEU 17 N 1.07 0.86 0.05 3.11 3.38 -1.34 -0.45 115.31 121.99 2wba h LEU 17 Ca 0.34 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2wba h LEU 17 Cb -0.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2wba h LEU 17 CO -0.11 1.31 -0.02 -0.08 0.09 0.00 0.00 178.44 179.62 2wba h GLU 18 N 0.54 -0.07 -0.26 1.13 4.57 -1.55 -0.06 114.58 118.88 2wba h GLU 18 Ca -0.02 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2wba h GLU 18 Cb 1.29 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.88 2wba h GLU 18 CO 0.14 -0.01 0.16 0.00 -1.18 0.00 0.00 179.01 178.12 2wba h ALA 19 N 0.85 0.34 0.15 2.92 0.00 -1.33 -1.14 119.26 121.05 2wba h ALA 19 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2wba h ALA 19 Cb 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wba h ALA 19 CO 0.01 -0.17 -0.08 0.78 0.00 0.00 0.00 179.25 179.80 2wba h GLY 20 N 0.34 -0.22 0.83 0.00 0.00 -1.03 -1.33 103.07 101.66 2wba h GLY 20 Ca 0.10 0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.54 2wba h GLY 20 CO -0.02 -0.08 0.22 -0.25 0.00 0.00 0.00 176.54 176.41 2wba h TRP 21 N -0.22 0.41 -0.35 5.60 2.91 -0.92 -1.88 115.95 121.50 2wba h TRP 21 Ca -0.02 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 2wba h TRP 21 Cb 0.17 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 28.68 2wba h TRP 21 CO -0.07 0.22 0.15 -0.91 -1.03 0.00 0.00 178.44 176.79 2wba h ASN 22 N 0.44 0.48 -0.69 2.65 4.21 -1.12 -0.22 115.58 121.34 2wba h ASN 22 Ca 0.17 -0.16 -0.01 0.00 1.21 0.00 0.00 56.30 57.51 2wba h ASN 22 Cb 0.06 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.10 2wba h ASN 22 CO -0.11 0.51 0.38 0.00 -1.29 0.00 0.00 177.43 176.92 2wba h ALA 23 N 0.99 0.88 -0.05 -0.83 0.00 -1.05 0.78 119.26 119.98 2wba h ALA 23 Ca 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2wba h ALA 23 Cb 0.17 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2wba h ALA 23 CO -0.01 0.40 -0.07 0.00 0.00 0.00 0.00 179.25 179.57 2wba h ALA 24 N 1.19 0.08 0.01 0.00 0.00 -1.26 -1.35 119.26 117.93 2wba h ALA 24 Ca 0.24 -0.30 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 2wba h ALA 24 Cb 0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2wba h ALA 24 CO -0.04 -0.09 -1.76 0.25 0.00 0.00 0.00 179.25 177.61 2wba n THR 25 N -4.71 1.62 -0.05 0.00 -2.24 -0.10 -2.22 114.28 106.57 2wba n THR 25 Ca -0.08 -0.79 -0.09 0.00 -2.27 0.00 0.00 64.05 60.83 2wba n THR 25 Cb 0.32 -1.08 -0.15 0.00 -2.10 0.00 0.00 70.33 67.32 2wba n THR 25 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wba n LEU 26 N -3.07 0.48 -0.13 3.22 4.77 0.26 -4.51 117.00 118.02 2wba n LEU 26 Ca -0.19 0.23 0.02 0.00 -0.03 0.00 0.00 56.01 56.04 2wba n LEU 26 Cb 1.06 0.31 0.01 0.00 -2.33 0.00 0.00 43.42 42.46 2wba n LEU 26 CO 0.45 0.42 0.23 -1.22 -1.33 0.00 0.00 177.39 175.95 2wba n TYR 27 N -2.90 0.00 -2.33 -1.77 4.01 -1.18 -5.02 117.16 107.97 2wba n TYR 27 Ca -0.24 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.36 2wba n TYR 27 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 40.11 2wba n TYR 27 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wba n GLY 28 N 0.47 -0.20 3.91 2.72 0.00 -0.94 -4.98 105.19 106.17 2wba n GLY 28 Ca 0.02 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 2wba n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wba s LYS 29 N -4.78 3.58 -0.24 1.61 -0.14 -0.54 -4.98 119.74 114.26 2wba s LYS 29 Ca 0.03 0.11 -0.19 0.00 -1.36 0.00 0.00 55.97 54.56 2wba s LYS 29 Cb -0.01 -2.47 -0.03 0.00 -1.68 0.00 0.00 37.83 33.64 2wba s LYS 29 CO 0.03 -0.05 0.54 0.50 -0.76 0.00 0.00 175.35 175.61 2wba s ARG 30 N -4.36 4.12 -0.03 1.68 3.52 -1.26 -4.13 118.95 118.49 2wba s ARG 30 Ca 0.46 0.41 0.04 0.00 -0.13 0.00 0.00 55.73 56.51 2wba s ARG 30 Cb -0.10 -3.62 -0.01 0.00 -1.56 0.00 0.00 34.95 29.66 2wba s ARG 30 CO 0.39 -0.30 -0.17 0.08 -0.81 0.00 0.00 175.30 174.50 2wba s VAL 31 N 2.12 1.36 -0.05 7.11 1.01 0.44 -0.89 120.40 131.49 2wba s VAL 31 Ca 0.23 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.57 2wba s VAL 31 Cb -0.16 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 2wba s VAL 31 CO 0.09 0.39 -0.19 0.00 0.00 0.00 0.00 175.10 175.39 2wba s ALA 32 N -0.06 2.44 -0.04 5.51 0.00 -0.19 -1.33 121.76 128.09 2wba s ALA 32 Ca -0.01 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 50.98 2wba s ALA 32 Cb -0.10 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 2wba s ALA 32 CO 0.01 0.48 -0.19 0.08 0.00 0.00 0.00 175.76 176.15 2wba s VAL 33 N -0.44 1.54 -0.12 0.00 1.01 -0.08 -0.11 120.40 122.19 2wba s VAL 33 Ca 0.05 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.27 2wba s VAL 33 Cb -0.12 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 2wba s VAL 33 CO 0.02 0.44 -0.21 -0.69 0.00 0.00 0.00 175.10 174.65 2wba s VAL 34 N -0.05 2.27 0.10 2.92 1.01 -0.12 -0.43 120.40 126.10 2wba s VAL 34 Ca -0.03 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 2wba s VAL 34 Cb -0.11 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2wba s VAL 34 CO 0.02 0.55 0.04 -0.62 0.00 0.00 0.00 175.10 175.08 2wba s ASP 35 N 0.47 0.37 0.32 3.32 -1.08 -0.95 -0.31 116.67 118.80 2wba s ASP 35 Ca -0.14 -1.08 0.23 0.00 -0.52 0.00 0.00 52.55 51.04 2wba s ASP 35 Cb -0.17 0.26 0.18 0.00 -1.46 0.00 0.00 42.92 41.73 2wba s ASP 35 CO 0.06 -0.68 1.33 -0.37 0.52 0.00 0.00 175.17 176.03 2wba h VAL 36 N 2.97 0.00 -3.99 1.11 -1.51 -1.87 -0.05 116.25 112.91 2wba h VAL 36 Ca -0.34 -0.98 -0.12 0.00 -1.23 0.00 0.00 66.70 64.02 2wba h VAL 36 Cb 1.17 1.73 -0.17 0.00 -2.13 0.00 0.00 31.29 31.90 2wba h VAL 36 CO 0.61 0.00 -0.58 -1.10 -1.23 0.00 0.00 177.57 175.27 2wba s GLN 37 N -3.28 0.60 0.00 5.19 -0.21 -1.26 -4.57 119.66 116.13 2wba s GLN 37 Ca 0.03 -0.94 0.22 0.00 0.02 0.00 0.00 55.36 54.70 2wba s GLN 37 Cb 0.07 0.22 -0.20 0.00 1.00 0.00 0.00 33.01 34.10 2wba s GLN 37 CO 0.73 -0.14 0.77 0.25 -2.12 0.00 0.00 175.29 174.79 2wba n THR 38 N 0.51 0.04 -3.96 -0.19 -2.24 -1.26 -2.03 114.28 105.15 2wba n THR 38 Ca -0.17 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.27 2wba n THR 38 Cb 0.60 0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 69.18 2wba n THR 38 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wba s SER 39 N -3.80 0.13 0.56 3.42 1.04 -1.26 -4.59 113.70 109.20 2wba s SER 39 Ca 0.01 -0.86 -0.20 0.00 0.48 0.00 0.00 55.95 55.38 2wba s SER 39 Cb 0.15 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 2wba s SER 39 CO 0.87 -0.81 1.22 -1.38 0.98 0.00 0.00 173.24 174.13 2wba s HIS 40 N -3.95 2.46 0.00 5.02 0.00 -1.26 -4.72 115.29 112.85 2wba s HIS 40 Ca 0.14 1.49 0.00 0.00 -3.00 0.00 0.00 55.06 53.70 2wba s HIS 40 Cb 0.05 -3.52 0.00 0.00 -4.00 0.00 0.00 32.58 25.11 2wba s HIS 40 CO -0.04 -2.20 0.00 0.41 -1.00 0.00 0.00 174.74 171.91 2wba n GLY 41 N 0.53 0.18 3.56 -1.38 0.00 -0.73 -4.97 105.19 102.38 2wba n GLY 41 Ca 0.12 -2.30 -0.37 0.00 0.00 0.00 0.00 46.02 43.47 2wba n GLY 41 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wba n PRO 42 N -0.62 0.60 0.10 1.61 -0.02 -1.26 -0.39 135.00 135.03 2wba n PRO 42 Ca 0.00 0.25 0.12 0.00 -2.02 0.00 0.00 63.50 61.85 2wba n PRO 42 Cb 0.00 -2.04 0.14 0.00 -0.02 0.00 0.00 33.50 31.58 2wba n PRO 42 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2wba h PRO 43 N 0.06 0.00 -0.01 0.52 0.13 -1.97 -3.43 132.00 127.30 2wba h PRO 43 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wba h PRO 43 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2wba h PRO 43 CO 0.47 0.00 -0.33 1.19 -0.23 0.00 0.00 178.00 179.11 2wba n PHE 44 N -2.42 0.00 0.00 1.56 3.72 -1.22 -5.01 117.46 114.08 2wba n PHE 44 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2wba n PHE 44 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 2wba n PHE 44 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2wba n TYR 45 N -0.09 0.00 -1.28 1.38 4.02 0.48 -4.80 117.16 116.87 2wba n TYR 45 Ca 0.07 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.65 2wba n TYR 45 Cb 0.34 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.77 2wba n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wba s ALA 46 N 0.00 2.03 0.07 -0.72 0.00 -1.26 -1.77 121.76 120.11 2wba s ALA 46 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.03 2wba s ALA 46 Cb 0.00 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.91 2wba s ALA 46 CO 0.00 -1.93 0.20 0.00 0.00 0.00 0.00 175.76 174.03 2wba n ALA 47 N -3.62 -0.49 -1.61 0.00 0.00 -1.26 -4.60 120.51 108.93 2wba n ALA 47 Ca 0.08 -0.26 -0.57 0.00 0.00 0.00 0.00 53.44 52.69 2wba n ALA 47 Cb 0.54 0.18 -0.07 0.00 0.00 0.00 0.00 19.45 20.10 2wba n ALA 47 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wba n LEU 48 N 0.00 1.34 0.00 0.00 7.94 -0.86 0.17 117.00 125.59 2wba n LEU 48 Ca -0.01 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 2wba n LEU 48 Cb 0.13 -1.08 0.00 0.00 0.53 0.00 0.00 43.42 43.01 2wba n LEU 48 CO 0.06 -1.11 0.00 0.61 -1.11 0.00 0.00 177.39 175.84 2wba n GLY 49 N 2.79 2.24 0.00 -3.96 0.00 -0.04 -4.76 105.19 101.47 2wba n GLY 49 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2wba n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wba n GLY 50 N 0.00 -3.39 0.34 -0.02 0.00 0.13 -3.82 105.19 98.42 2wba n GLY 50 Ca 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 46.02 43.88 2wba n GLY 50 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wba h THR 51 N 0.00 1.23 -0.08 2.61 2.02 -1.94 -2.08 112.91 114.67 2wba h THR 51 Ca 0.00 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 2wba h THR 51 Cb 0.00 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.35 2wba h THR 51 CO 0.00 0.22 -0.01 0.00 0.37 0.00 0.00 175.52 176.10 2wba h VAL 53 N -0.16 1.19 0.02 0.00 2.07 -1.70 -1.58 116.25 116.09 2wba h VAL 53 Ca 0.02 -0.53 -0.32 0.00 0.82 0.00 0.00 66.70 66.69 2wba h VAL 53 Cb 0.38 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2wba h VAL 53 CO 0.01 0.21 -1.76 0.59 0.02 0.00 0.00 177.57 176.64 2wba n ASN 54 N -4.60 1.93 -2.73 0.57 3.02 -0.79 -4.39 115.26 108.27 2wba n ASN 54 Ca 0.02 0.34 -0.06 0.00 -0.03 0.00 0.00 54.58 54.86 2wba n ASN 54 Cb 0.11 -0.89 0.04 0.00 -0.61 0.00 0.00 39.78 38.43 2wba n ASN 54 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2wba n VAL 55 N -4.19 1.16 0.00 2.41 0.24 0.82 -4.83 118.33 113.93 2wba n VAL 55 Ca -0.39 -3.04 0.00 0.00 -2.04 0.00 0.00 64.34 58.87 2wba n VAL 55 Cb 0.80 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 34.06 2wba n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wba n GLY 56 N -0.31 4.10 0.30 7.63 0.00 0.56 -4.81 105.19 112.66 2wba n GLY 56 Ca 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 2wba n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wba h VAL 58 N -0.05 0.00 -0.45 0.00 2.07 -1.57 -0.35 116.25 115.90 2wba h VAL 58 Ca 0.31 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.67 2wba h VAL 58 Cb 0.54 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2wba h VAL 58 CO -0.74 0.00 0.08 1.55 0.02 0.00 0.00 177.57 178.48 2wba h PRO 59 N -1.03 0.68 -0.31 1.57 0.13 -1.74 -2.67 132.00 128.63 2wba h PRO 59 Ca -0.09 -0.14 0.04 0.00 -0.87 0.00 0.00 66.00 64.94 2wba h PRO 59 Cb 0.70 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.69 2wba h PRO 59 CO 0.15 0.64 0.10 -0.22 -0.23 0.00 0.00 178.00 178.44 2wba h LYS 60 N 0.66 0.22 -0.53 0.86 3.11 -1.04 -1.28 116.57 118.56 2wba h LYS 60 Ca 0.15 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.92 2wba h LYS 60 Cb 0.29 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.44 2wba h LYS 60 CO 0.00 0.14 0.13 -0.22 -2.81 0.00 0.00 179.45 176.70 2wba h LYS 61 N 0.23 0.81 -0.60 1.90 1.63 -0.92 0.01 116.57 119.63 2wba h LYS 61 Ca 0.14 -0.16 -0.07 0.00 -0.85 0.00 0.00 60.65 59.71 2wba h LYS 61 Cb 0.13 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 2wba h LYS 61 CO -0.16 0.73 0.11 -0.07 -3.45 0.00 0.00 179.45 176.61 2wba h LEU 62 N 0.79 0.92 -0.46 5.20 3.38 -1.12 -1.62 115.31 122.39 2wba h LEU 62 Ca 0.17 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 2wba h LEU 62 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2wba h LEU 62 CO -0.00 0.91 -0.70 0.24 0.09 0.00 0.00 178.44 178.98 2wba h MET 63 N 0.91 0.35 -0.31 1.13 2.86 -0.58 -1.73 114.93 117.57 2wba h MET 63 Ca 0.19 -0.28 -0.09 0.00 -2.06 0.00 0.00 59.70 57.46 2wba h MET 63 Cb 0.39 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 2wba h MET 63 CO 0.01 0.92 -0.14 0.28 1.06 0.00 0.00 176.91 179.03 2wba h VAL 64 N 0.24 1.29 -0.45 -2.22 2.07 -0.94 -1.75 116.25 114.49 2wba h VAL 64 Ca -0.02 -1.24 0.08 0.00 0.82 0.00 0.00 66.70 66.34 2wba h VAL 64 Cb 1.27 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 32.41 2wba h VAL 64 CO 0.12 0.40 0.00 0.74 0.02 0.00 0.00 177.57 178.85 2wba h THR 65 N 0.39 0.66 -0.91 2.57 2.02 -1.19 0.41 112.91 116.87 2wba h THR 65 Ca 0.07 -0.04 0.08 0.00 0.77 0.00 0.00 66.41 67.29 2wba h THR 65 Cb 0.67 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.55 2wba h THR 65 CO 0.04 0.02 0.59 1.23 0.37 0.00 0.00 175.52 177.77 2wba h GLY 66 N 0.11 1.33 1.68 2.16 0.00 -1.26 -2.73 103.07 104.36 2wba h GLY 66 Ca 0.22 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 2wba h GLY 66 CO -0.37 0.26 -0.28 0.00 0.00 0.00 0.00 176.54 176.15 2wba h ALA 67 N 1.53 1.16 0.00 3.60 0.00 -0.06 -2.89 119.26 122.60 2wba h ALA 67 Ca 0.40 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2wba h ALA 67 Cb 0.29 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2wba h ALA 67 CO -0.16 0.54 -0.04 0.37 0.00 0.00 0.00 179.25 179.95 2wba h GLN 68 N 0.33 0.00 0.00 0.00 5.75 -0.72 -2.39 115.11 118.08 2wba h GLN 68 Ca 0.05 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 2wba h GLN 68 Cb 0.67 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.21 2wba h GLN 68 CO 0.05 0.04 -0.06 1.88 -2.65 0.00 0.00 178.83 178.09 2wba h TYR 69 N 0.00 0.00 -0.55 3.99 0.05 -1.57 -1.10 116.97 117.79 2wba h TYR 69 Ca -0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 2wba h TYR 69 Cb 0.12 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.83 2wba h TYR 69 CO 0.00 0.06 0.37 1.98 -1.05 0.00 0.00 178.16 179.51 2wba h MET 70 N 0.00 0.73 -0.10 4.88 4.05 -1.62 -0.09 114.93 122.77 2wba h MET 70 Ca -0.00 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 2wba h MET 70 Cb 0.15 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 30.78 2wba h MET 70 CO 0.01 0.48 -0.02 -0.44 0.23 0.00 0.00 176.91 177.17 2wba h ASP 71 N 0.75 0.18 -0.26 1.39 5.19 -1.43 -2.96 116.42 119.29 2wba h ASP 71 Ca 0.20 -0.36 0.06 0.00 -0.62 0.00 0.00 57.03 56.32 2wba h ASP 71 Cb -0.08 -0.05 -0.07 0.00 0.18 0.00 0.00 39.33 39.31 2wba h ASP 71 CO -0.05 0.50 -0.17 0.45 -3.12 0.00 0.00 179.24 176.85 2wba h HIS 72 N -0.13 -0.44 -0.88 4.55 3.86 -1.02 0.29 115.15 121.37 2wba h HIS 72 Ca 0.03 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.31 2wba h HIS 72 Cb 0.41 0.24 -0.06 0.00 1.06 0.00 0.00 27.41 29.06 2wba h HIS 72 CO 0.05 -0.25 0.56 -0.07 0.86 0.00 0.00 177.93 179.08 2wba h LEU 73 N -0.16 0.92 -0.23 2.43 3.38 -1.08 0.12 115.31 120.70 2wba h LEU 73 Ca 0.14 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2wba h LEU 73 Cb 0.37 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2wba h LEU 73 CO -0.36 0.62 -0.18 -0.09 0.09 0.00 0.00 178.44 178.53 2wba h ARG 74 N 1.08 0.52 0.00 1.13 2.43 -1.22 -3.28 114.38 115.04 2wba h ARG 74 Ca 0.36 -0.26 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 2wba h ARG 74 Cb 0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2wba h ARG 74 CO -0.13 0.83 -0.29 0.93 -1.51 0.00 0.00 179.97 179.79 2wba h GLU 75 N 0.22 0.00 -0.53 0.20 5.08 -0.04 -3.11 114.58 116.39 2wba h GLU 75 Ca 0.04 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.53 2wba h GLU 75 Cb 0.71 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 2wba h GLU 75 CO 0.05 0.29 0.37 0.66 -1.00 0.00 0.00 179.01 179.38 2wba h SER 76 N 0.00 0.12 -0.76 1.42 4.64 -1.04 -2.74 113.55 115.19 2wba h SER 76 Ca -0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2wba h SER 76 Cb 0.99 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 63.02 2wba h SER 76 CO 0.04 0.06 0.50 0.00 -0.87 0.00 0.00 176.83 176.57 2wba h ALA 77 N 1.74 1.47 -0.01 5.18 0.00 -1.67 -0.95 119.26 125.01 2wba h ALA 77 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2wba h ALA 77 Cb 0.83 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2wba h ALA 77 CO -0.03 0.49 0.03 0.78 0.00 0.00 0.00 179.25 180.52 2wba h GLY 78 N 1.02 0.00 -1.97 0.00 0.00 -1.68 -2.16 103.07 98.28 2wba h GLY 78 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2wba h GLY 78 CO -0.06 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.17 2wba n PHE 79 N -3.39 0.90 -0.04 5.60 3.01 -0.40 -4.83 117.46 118.32 2wba n PHE 79 Ca -0.03 -0.61 0.00 0.00 1.01 0.00 0.00 57.45 57.82 2wba n PHE 79 Cb 0.11 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 2wba n PHE 79 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wba n GLY 80 N 0.56 0.62 3.70 1.37 0.00 -0.81 -5.06 105.19 105.57 2wba n GLY 80 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2wba n GLY 80 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wba s TRP 81 N -2.06 3.59 -0.03 1.61 0.52 -0.99 -4.99 118.94 116.61 2wba s TRP 81 Ca 0.00 1.65 0.08 0.00 0.02 0.00 0.00 56.10 57.85 2wba s TRP 81 Cb 0.00 -3.15 -0.02 0.00 -1.15 0.00 0.00 33.47 29.15 2wba s TRP 81 CO 0.00 -0.12 -0.25 -1.21 0.02 0.00 0.00 176.95 175.39 2wba s GLU 82 N 1.45 2.15 0.13 4.98 2.02 -1.26 -4.00 118.70 124.18 2wba s GLU 82 Ca 0.50 -0.91 -0.25 0.00 0.02 0.00 0.00 54.97 54.33 2wba s GLU 82 Cb -0.20 -2.03 0.07 0.00 0.10 0.00 0.00 34.13 32.07 2wba s GLU 82 CO 0.24 0.52 0.91 -0.59 0.02 0.00 0.00 175.26 176.35 2wba s PHE 83 N -0.52 -0.20 -0.63 1.61 -0.71 -1.26 -5.09 117.98 111.17 2wba s PHE 83 Ca 0.08 -0.07 -0.26 0.00 -1.04 0.00 0.00 56.93 55.63 2wba s PHE 83 Cb -0.11 0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 42.29 2wba s PHE 83 CO -0.00 -0.80 2.00 0.34 -1.34 0.00 0.00 175.22 175.42 2wba s ASP 84 N -2.83 5.03 0.48 1.98 2.15 -1.26 -4.83 116.67 117.39 2wba s ASP 84 Ca 0.10 0.35 0.22 0.00 0.43 0.00 0.00 52.55 53.65 2wba s ASP 84 Cb -0.02 -2.53 1.20 0.00 -0.30 0.00 0.00 42.92 41.28 2wba s ASP 84 CO -0.01 -2.59 2.00 1.23 -0.17 0.00 0.00 175.17 175.64 2wba h GLY 85 N 17.50 0.00 2.00 2.66 0.00 -2.00 -2.58 103.07 120.65 2wba h GLY 85 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2wba h GLY 85 CO 1.20 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.60 2wba n SER 86 N -3.88 0.35 -0.08 0.19 3.41 -1.26 -2.80 113.62 109.55 2wba n SER 86 Ca -0.02 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 2wba n SER 86 Cb 0.27 -0.63 0.42 0.00 -0.26 0.00 0.00 64.21 64.01 2wba n SER 86 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2wba n SER 87 N -1.83 0.52 -4.69 4.04 3.41 -0.97 -4.92 113.62 109.17 2wba n SER 87 Ca 0.06 -0.33 -0.42 0.00 -0.26 0.00 0.00 58.87 57.91 2wba n SER 87 Cb 0.36 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 2wba n SER 87 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wba s VAL 88 N -2.77 3.54 -0.01 -3.33 1.01 -1.12 -5.02 120.40 112.69 2wba s VAL 88 Ca 0.18 0.98 0.01 0.00 0.00 0.00 0.00 61.98 63.15 2wba s VAL 88 Cb 0.19 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.94 2wba s VAL 88 CO 0.58 0.02 -0.02 -0.75 0.00 0.00 0.00 175.10 174.93 2wba s LYS 89 N 2.14 0.25 -0.48 2.72 2.36 -1.26 -5.12 119.74 120.35 2wba s LYS 89 Ca 0.65 -0.04 -0.16 0.00 -2.55 0.00 0.00 55.97 53.87 2wba s LYS 89 Cb -0.34 -0.31 0.08 0.00 -1.05 0.00 0.00 37.83 36.21 2wba s LYS 89 CO 0.28 -0.01 0.44 0.00 1.55 0.00 0.00 175.35 177.61 2wba s ALA 90 N 0.31 3.54 -0.86 3.13 0.00 -1.26 -5.02 121.76 121.60 2wba s ALA 90 Ca -0.03 -2.10 -0.23 0.00 0.00 0.00 0.00 51.96 49.60 2wba s ALA 90 Cb -0.06 -3.13 0.07 0.00 0.00 0.00 0.00 23.12 20.01 2wba s ALA 90 CO -0.01 -1.79 1.23 1.21 0.00 0.00 0.00 175.76 176.41 2wba s ASN 91 N 2.69 6.39 0.25 0.00 3.84 -1.26 -4.88 114.94 121.98 2wba s ASN 91 Ca 0.05 -1.28 -0.05 0.00 0.21 0.00 0.00 52.86 51.80 2wba s ASN 91 Cb -0.24 -2.50 0.34 0.00 -0.55 0.00 0.00 41.25 38.30 2wba s ASN 91 CO 0.07 -1.46 1.88 -0.25 -2.79 0.00 0.00 177.10 174.55 2wba h TRP 92 N 9.57 1.12 -0.66 0.43 2.91 -1.95 -2.60 115.95 124.77 2wba h TRP 92 Ca -0.02 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.00 2wba h TRP 92 Cb 1.03 -0.37 -0.03 0.00 -0.51 0.00 0.00 29.16 29.29 2wba h TRP 92 CO 1.15 0.61 0.30 0.87 -1.03 0.00 0.00 178.44 180.34 2wba h LYS 93 N 1.12 0.94 -0.34 2.65 1.57 -1.90 -1.44 116.57 119.18 2wba h LYS 93 Ca 0.39 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 2wba h LYS 93 Cb 0.10 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2wba h LYS 93 CO -0.15 0.74 0.07 -0.22 -0.57 0.00 0.00 179.45 179.33 2wba h LYS 94 N 0.94 0.55 -0.30 3.15 1.63 -1.89 -1.29 116.57 119.35 2wba h LYS 94 Ca 0.23 -0.14 0.05 0.00 -0.85 0.00 0.00 60.65 59.94 2wba h LYS 94 Cb 0.13 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 2wba h LYS 94 CO -0.03 0.61 0.03 1.25 -3.45 0.00 0.00 179.45 177.86 2wba h LEU 95 N 0.39 -0.06 -0.66 5.20 5.85 -1.13 -0.94 115.31 123.96 2wba h LEU 95 Ca 0.11 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 2wba h LEU 95 Cb 0.31 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2wba h LEU 95 CO 0.00 0.00 0.10 0.40 -0.34 0.00 0.00 178.44 178.61 2wba h ILE 96 N 0.12 1.26 -0.54 4.05 1.08 -1.19 0.18 117.51 122.48 2wba h ILE 96 Ca 0.14 -1.04 -0.07 0.00 -0.39 0.00 0.00 64.86 63.50 2wba h ILE 96 Cb 0.18 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 2wba h ILE 96 CO -0.22 0.39 0.07 0.00 -0.69 0.00 0.00 178.15 177.70 2wba h ALA 97 N 1.04 0.72 -0.61 1.87 0.00 -0.99 0.98 119.26 122.27 2wba h ALA 97 Ca 0.20 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2wba h ALA 97 Cb 0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2wba h ALA 97 CO 0.01 0.48 0.05 0.00 0.00 0.00 0.00 179.25 179.80 2wba h ALA 98 N 0.98 0.82 -0.29 0.00 0.00 -0.98 -2.43 119.26 117.36 2wba h ALA 98 Ca 0.16 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2wba h ALA 98 Cb 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2wba h ALA 98 CO 0.01 0.62 0.16 -0.22 0.00 0.00 0.00 179.25 179.82 2wba h LYS 99 N 0.95 0.40 -0.35 0.00 3.11 -0.70 -2.65 116.57 117.33 2wba h LYS 99 Ca 0.18 -0.04 0.01 0.00 -2.81 0.00 0.00 60.65 57.99 2wba h LYS 99 Cb 0.49 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.62 2wba h LYS 99 CO 0.02 0.34 0.21 -0.91 -2.81 0.00 0.00 179.45 176.30 2wba h ASN 100 N 0.36 0.34 -0.60 4.20 2.35 -0.67 -1.00 115.58 120.55 2wba h ASN 100 Ca 0.10 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 2wba h ASN 100 Cb 0.05 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 2wba h ASN 100 CO -0.02 0.25 0.14 -0.08 -1.65 0.00 0.00 177.43 176.07 2wba h GLU 101 N 0.42 1.00 -0.43 0.81 4.57 -1.43 0.17 114.58 119.69 2wba h GLU 101 Ca 0.14 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 58.05 2wba h GLU 101 Cb -0.00 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 2wba h GLU 101 CO -0.06 0.89 0.13 0.00 -1.18 0.00 0.00 179.01 178.79 2wba h ALA 102 N 1.20 0.56 -0.22 2.92 0.00 -1.18 -0.14 119.26 122.40 2wba h ALA 102 Ca 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2wba h ALA 102 Cb 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2wba h ALA 102 CO 0.00 0.22 0.08 0.28 0.00 0.00 0.00 179.25 179.83 2wba h VAL 103 N 0.55 1.18 -1.00 0.00 2.07 -0.91 -2.96 116.25 115.18 2wba h VAL 103 Ca 0.14 -0.55 0.09 0.00 0.82 0.00 0.00 66.70 67.19 2wba h VAL 103 Cb 0.28 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 2wba h VAL 103 CO -0.00 0.18 0.64 0.25 0.02 0.00 0.00 177.57 178.66 2wba h LEU 104 N 0.19 1.00 -1.16 2.57 5.85 -0.48 -0.27 115.31 123.02 2wba h LEU 104 Ca 0.07 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2wba h LEU 104 Cb 0.20 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 2wba h LEU 104 CO -0.00 0.60 0.58 0.44 -0.34 0.00 0.00 178.44 179.71 2wba h ASP 105 N 1.11 0.92 -0.17 1.25 3.32 -0.87 0.14 116.42 122.12 2wba h ASP 105 Ca 0.46 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.35 2wba h ASP 105 Cb 0.29 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2wba h ASP 105 CO -0.21 0.61 -0.51 0.40 -1.72 0.00 0.00 179.24 177.82 2wba h ILE 106 N 1.06 1.33 -0.59 0.35 2.04 -0.95 -2.06 117.51 118.68 2wba h ILE 106 Ca 0.37 -1.76 0.12 0.00 1.00 0.00 0.00 64.86 64.59 2wba h ILE 106 Cb 0.11 1.97 -0.09 0.00 -0.74 0.00 0.00 36.82 38.06 2wba h ILE 106 CO -0.12 0.54 0.06 0.78 0.00 0.00 0.00 178.15 179.41 2wba h ASN 107 N 0.32 -0.13 -0.48 1.72 -0.26 -0.69 -2.49 115.58 113.57 2wba h ASN 107 Ca -0.02 0.13 -0.09 0.00 -0.56 0.00 0.00 56.30 55.76 2wba h ASN 107 Cb 1.13 0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 38.58 2wba h ASN 107 CO 0.11 -0.05 -0.04 0.11 -1.06 0.00 0.00 177.43 176.50 2wba h LYS 108 N 0.18 0.92 -0.05 0.81 1.57 -0.83 -3.01 116.57 116.16 2wba h LYS 108 Ca 0.31 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 2wba h LYS 108 Cb 0.49 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2wba h LYS 108 CO -0.46 0.94 -0.43 0.66 -0.57 0.00 0.00 179.45 179.59 2wba h SER 109 N 0.84 0.12 0.30 0.86 4.64 -1.01 -2.42 113.55 116.89 2wba h SER 109 Ca 0.15 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2wba h SER 109 Cb 0.55 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 2wba h SER 109 CO 0.03 0.54 -0.22 1.88 -0.87 0.00 0.00 176.83 178.19 2wba h TYR 110 N 0.09 0.00 -0.25 4.77 0.05 -1.32 -2.29 116.97 118.02 2wba h TYR 110 Ca 0.01 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.64 2wba h TYR 110 Cb 0.81 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 2wba h TYR 110 CO 0.01 0.22 -0.44 0.93 -1.05 0.00 0.00 178.16 177.82 2wba h GLU 111 N 0.00 0.64 -0.28 4.88 5.08 -1.42 -2.71 114.58 120.77 2wba h GLU 111 Ca -0.00 -0.35 -0.10 0.00 -1.00 0.00 0.00 59.36 57.91 2wba h GLU 111 Cb 0.43 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2wba h GLU 111 CO 0.03 0.96 -0.25 0.78 -1.00 0.00 0.00 179.01 179.52 2wba h GLY 112 N 1.00 0.60 0.64 -3.84 0.00 -1.40 -2.61 103.07 97.45 2wba h GLY 112 Ca 0.03 -0.50 0.04 0.00 0.00 0.00 0.00 47.33 46.91 2wba h GLY 112 CO 0.09 0.46 0.00 1.98 0.00 0.00 0.00 176.54 179.07 2wba h MET 113 N 0.49 0.07 -0.69 4.80 1.85 -1.27 -1.11 114.93 119.07 2wba h MET 113 Ca 0.07 -0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.12 2wba h MET 113 Cb 0.69 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.68 2wba h MET 113 CO 0.05 0.05 0.28 0.74 -0.40 0.00 0.00 176.91 177.63 2wba h PHE 114 N 0.08 1.03 -0.33 1.39 0.04 -1.38 -2.77 116.94 115.01 2wba h PHE 114 Ca 0.11 -0.07 -0.15 0.00 2.80 0.00 0.00 57.97 60.67 2wba h PHE 114 Cb 0.14 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 2wba h PHE 114 CO -0.19 0.79 -0.39 -0.91 -0.60 0.00 0.00 178.31 177.01 2wba h ASN 115 N 1.00 0.83 0.71 2.17 2.35 -1.14 -3.21 115.58 118.28 2wba h ASN 115 Ca 0.23 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2wba h ASN 115 Cb 0.19 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2wba h ASN 115 CO -0.02 1.12 -0.28 0.47 -1.65 0.00 0.00 177.43 177.06 2wba n ASP 116 N -4.05 0.29 -4.26 5.81 8.00 -0.45 -4.81 116.55 117.09 2wba n ASP 116 Ca -0.02 0.06 -0.37 0.00 0.71 0.00 0.00 54.79 55.17 2wba n ASP 116 Cb 0.53 -0.07 -0.13 0.00 -0.02 0.00 0.00 41.12 41.43 2wba n ASP 116 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2wba s THR 117 N -2.99 3.62 0.22 -3.53 2.01 -1.05 -5.07 115.64 108.85 2wba s THR 117 Ca 0.12 -1.15 -0.31 0.00 0.31 0.00 0.00 61.69 60.67 2wba s THR 117 Cb 0.18 -3.04 -0.11 0.00 0.01 0.00 0.00 72.50 69.54 2wba s THR 117 CO 0.62 -0.14 1.62 -0.70 -0.69 0.00 0.00 174.62 175.34 2wba s GLU 118 N 1.38 4.16 -0.56 4.92 2.56 -1.26 -2.55 118.70 127.35 2wba s GLU 118 Ca -0.02 2.51 0.00 0.00 0.00 0.00 0.00 54.97 57.46 2wba s GLU 118 Cb -0.19 -3.08 0.00 0.00 2.00 0.00 0.00 34.13 32.85 2wba s GLU 118 CO 0.02 -0.65 0.00 0.41 -0.56 0.00 0.00 175.26 174.48 2wba n GLY 119 N 3.26 0.78 2.89 -1.50 0.00 -1.26 -4.88 105.19 104.49 2wba n GLY 119 Ca 0.12 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 2wba n GLY 119 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wba s LEU 120 N -1.20 2.60 0.02 0.99 2.96 -1.06 -0.42 118.68 122.57 2wba s LEU 120 Ca 0.00 -1.31 0.07 0.00 -0.22 0.00 0.00 54.13 52.67 2wba s LEU 120 Cb 0.00 -1.11 -0.02 0.00 0.50 0.00 0.00 46.19 45.55 2wba s LEU 120 CO 0.00 -0.29 -0.22 -1.81 -1.32 0.00 0.00 176.35 172.71 2wba s ASP 121 N 1.43 2.67 -0.11 3.68 1.01 -0.44 -4.72 116.67 120.18 2wba s ASP 121 Ca -0.01 -0.48 -0.03 0.00 0.71 0.00 0.00 52.55 52.73 2wba s ASP 121 Cb -0.18 -0.26 -0.03 0.00 1.01 0.00 0.00 42.92 43.45 2wba s ASP 121 CO -0.09 0.23 0.02 0.12 0.21 0.00 0.00 175.17 175.65 2wba s PHE 122 N -0.68 3.20 -0.11 4.23 5.36 -1.26 -0.91 117.98 127.81 2wba s PHE 122 Ca 0.09 0.16 0.03 0.00 -0.96 0.00 0.00 56.93 56.24 2wba s PHE 122 Cb -0.09 -1.86 0.01 0.00 -0.34 0.00 0.00 43.02 40.74 2wba s PHE 122 CO 0.01 0.40 -0.19 -0.06 -1.46 0.00 0.00 175.22 173.92 2wba s PHE 123 N -0.59 2.21 -0.12 10.12 0.08 0.43 -4.94 117.98 125.18 2wba s PHE 123 Ca 0.10 -1.01 -0.26 0.00 0.12 0.00 0.00 56.93 55.88 2wba s PHE 123 Cb -0.12 -1.54 -0.02 0.00 -0.57 0.00 0.00 43.02 40.77 2wba s PHE 123 CO 0.02 -0.47 0.84 -1.17 -0.10 0.00 0.00 175.22 174.34 2wba s LEU 124 N 0.75 4.23 0.00 -0.37 2.96 -1.26 -2.23 118.68 122.76 2wba s LEU 124 Ca -0.11 1.28 0.00 0.00 -0.22 0.00 0.00 54.13 55.08 2wba s LEU 124 Cb -0.16 -3.28 0.00 0.00 0.50 0.00 0.00 46.19 43.25 2wba s LEU 124 CO 0.02 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.32 2wba n GLY 125 N 3.28 0.06 3.49 7.98 0.00 -0.03 -4.92 105.19 115.05 2wba n GLY 125 Ca 0.04 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 2wba n GLY 125 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wba s TRP 126 N -2.33 3.23 0.11 1.61 0.52 0.15 -3.44 118.94 118.80 2wba s TRP 126 Ca 0.00 -0.40 -0.25 0.00 0.02 0.00 0.00 56.10 55.46 2wba s TRP 126 Cb 0.00 -2.55 -0.07 0.00 -1.15 0.00 0.00 33.47 29.71 2wba s TRP 126 CO 0.00 -0.48 0.78 0.20 0.02 0.00 0.00 176.95 177.47 2wba s GLY 127 N 1.70 2.87 0.21 0.98 0.00 -1.26 -1.17 107.32 110.66 2wba s GLY 127 Ca 0.06 0.34 -0.11 0.00 0.00 0.00 0.00 44.72 45.00 2wba s GLY 127 CO 0.10 1.00 0.40 -1.35 0.00 0.00 0.00 173.10 173.25 2wba s SER 128 N -0.60 -0.06 -0.33 1.64 1.04 -0.30 -4.56 113.70 110.53 2wba s SER 128 Ca 0.38 -0.89 -0.23 0.00 0.48 0.00 0.00 55.95 55.68 2wba s SER 128 Cb -0.22 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2wba s SER 128 CO 0.25 -1.04 0.78 -0.76 0.98 0.00 0.00 173.24 173.46 2wba s LEU 129 N -3.00 4.11 -0.11 2.42 1.02 -0.66 -0.75 118.68 121.71 2wba s LEU 129 Ca 0.21 0.51 -0.25 0.00 0.02 0.00 0.00 54.13 54.62 2wba s LEU 129 Cb 0.01 -3.05 -0.27 0.00 0.02 0.00 0.00 46.19 42.90 2wba s LEU 129 CO 0.05 -0.67 0.73 -0.08 0.02 0.00 0.00 176.35 176.40 2wba h GLU 130 N 8.29 0.12 0.00 1.70 4.81 -1.69 -3.45 114.58 124.36 2wba h GLU 130 Ca -0.25 -0.21 -0.25 0.00 -0.13 0.00 0.00 59.36 58.53 2wba h GLU 130 Cb 1.10 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 2wba h GLU 130 CO 0.89 1.10 -0.10 -1.13 -0.73 0.00 0.00 179.01 179.04 2wba n SER 131 N -4.36 -1.43 0.00 1.04 3.41 -1.14 -4.85 113.62 106.29 2wba n SER 131 Ca -0.15 -2.83 0.22 0.00 -0.26 0.00 0.00 58.87 55.85 2wba n SER 131 Cb 0.65 2.62 0.72 0.00 -0.26 0.00 0.00 64.21 67.95 2wba n SER 131 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2wba h LYS 132 N 0.00 0.00 -0.00 4.33 1.57 -1.94 -2.87 116.57 117.65 2wba h LYS 132 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2wba h LYS 132 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2wba h LYS 132 CO 0.37 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.34 2wba n ASN 133 N -4.06 1.88 -3.87 0.86 4.13 -1.26 -4.89 115.26 108.05 2wba n ASN 133 Ca 0.10 -1.88 -0.21 0.00 1.68 0.00 0.00 54.58 54.27 2wba n ASN 133 Cb 0.68 -0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.76 2wba n ASN 133 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2wba s VAL 134 N -0.88 0.55 -0.23 2.41 1.01 -1.08 -0.91 120.40 121.27 2wba s VAL 134 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 2wba s VAL 134 Cb 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 2wba s VAL 134 CO 0.00 0.25 0.18 -0.69 0.00 0.00 0.00 175.10 174.84 2wba s VAL 135 N 1.23 5.35 -0.10 2.92 1.01 -0.24 -1.78 120.40 128.79 2wba s VAL 135 Ca -0.06 0.23 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 2wba s VAL 135 Cb -0.14 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2wba s VAL 135 CO -0.02 0.35 0.22 0.54 0.00 0.00 0.00 175.10 176.20 2wba s VAL 136 N 0.98 5.36 -0.19 2.92 0.11 0.08 -0.36 120.40 129.29 2wba s VAL 136 Ca 0.09 0.40 -0.03 0.00 -2.93 0.00 0.00 61.98 59.51 2wba s VAL 136 Cb -0.13 -3.51 -0.01 0.00 -1.53 0.00 0.00 36.38 31.20 2wba s VAL 136 CO 0.04 0.57 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.61 2wba s VAL 137 N -0.76 3.23 0.37 2.04 1.01 0.26 -1.15 120.40 125.40 2wba s VAL 137 Ca 0.17 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.67 2wba s VAL 137 Cb -0.13 -2.43 -0.07 0.00 0.00 0.00 0.00 36.38 33.75 2wba s VAL 137 CO 0.06 0.46 -0.00 -0.13 0.00 0.00 0.00 175.10 175.48 2wba s ARG 138 N 1.15 1.98 0.19 2.72 0.52 -0.31 0.60 118.95 125.80 2wba s ARG 138 Ca 0.02 -1.93 -0.07 0.00 -0.52 0.00 0.00 55.73 53.22 2wba s ARG 138 Cb -0.14 -1.78 0.11 0.00 0.52 0.00 0.00 34.95 33.66 2wba s ARG 138 CO -0.02 0.05 1.63 0.93 0.02 0.00 0.00 175.30 177.91 2wba h GLU 139 N 1.82 0.96 -4.95 3.54 4.39 -1.65 0.46 114.58 119.15 2wba h GLU 139 Ca -0.43 -0.34 -0.50 0.00 0.34 0.00 0.00 59.36 58.43 2wba h GLU 139 Cb 1.25 -0.07 -0.13 0.00 -0.10 0.00 0.00 28.75 29.70 2wba h GLU 139 CO 0.73 1.01 -0.51 0.95 -1.16 0.00 0.00 179.01 180.02 2wba s THR 140 N -4.85 0.27 0.41 1.13 -4.23 -1.26 -4.64 115.64 102.48 2wba s THR 140 Ca -0.11 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.70 2wba s THR 140 Cb 0.13 -2.43 0.32 0.00 1.34 0.00 0.00 72.50 71.87 2wba s THR 140 CO 0.85 0.00 2.10 0.00 -0.54 0.00 0.00 174.62 177.03 2wba h ALA 141 N 2.01 1.23 -2.24 3.99 0.00 -1.94 -3.43 119.26 118.89 2wba h ALA 141 Ca -0.30 -0.08 -0.55 0.00 0.00 0.00 0.00 54.91 53.98 2wba h ALA 141 Cb 1.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2wba h ALA 141 CO 0.47 0.11 1.12 0.34 0.00 0.00 0.00 179.25 181.29 2wba s ASP 142 N -6.00 6.57 0.10 0.00 2.15 -1.26 -4.88 116.67 113.36 2wba s ASP 142 Ca -0.03 2.19 0.08 0.00 0.43 0.00 0.00 52.55 55.22 2wba s ASP 142 Cb 0.13 -2.53 0.40 0.00 -0.30 0.00 0.00 42.92 40.62 2wba s ASP 142 CO 0.56 -1.01 1.23 -0.81 -0.17 0.00 0.00 175.17 174.97 2wba n PRO 143 N 7.29 0.05 0.00 4.34 -0.04 -1.26 -0.99 135.00 144.38 2wba n PRO 143 Ca 0.18 0.53 0.13 0.00 -0.04 0.00 0.00 63.50 64.30 2wba n PRO 143 Cb 0.43 -1.65 0.31 0.00 -0.04 0.00 0.00 33.50 32.55 2wba n PRO 143 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wba n LYS 144 N -1.75 1.10 -1.40 0.54 5.02 -1.26 -4.95 118.16 115.46 2wba n LYS 144 Ca -0.00 -0.73 -0.30 0.00 -2.02 0.00 0.00 58.31 55.26 2wba n LYS 144 Cb 0.02 -1.48 0.10 0.00 -0.02 0.00 0.00 35.03 33.64 2wba n LYS 144 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2wba s SER 145 N -2.40 4.34 0.41 4.39 1.04 -0.16 -4.97 113.70 116.34 2wba s SER 145 Ca 0.25 1.50 -0.26 0.00 0.48 0.00 0.00 55.95 57.93 2wba s SER 145 Cb 0.19 -2.24 -0.08 0.00 0.10 0.00 0.00 66.02 63.99 2wba s SER 145 CO 0.49 -2.09 1.28 0.00 0.98 0.00 0.00 173.24 173.90 2wba s ALA 146 N -3.03 3.22 0.13 5.32 0.00 -1.26 -4.70 121.76 121.43 2wba s ALA 146 Ca 0.61 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 53.45 2wba s ALA 146 Cb -0.16 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.43 2wba s ALA 146 CO 0.55 -0.78 1.10 0.08 0.00 0.00 0.00 175.76 176.71 2wba s VAL 147 N -1.30 4.05 -0.25 0.00 1.01 -1.26 -1.86 120.40 120.80 2wba s VAL 147 Ca 0.58 1.65 0.00 0.00 0.00 0.00 0.00 61.98 64.21 2wba s VAL 147 Cb -0.37 -4.05 -0.15 0.00 0.00 0.00 0.00 36.38 31.81 2wba s VAL 147 CO 0.47 0.23 -0.23 0.29 0.00 0.00 0.00 175.10 175.85 2wba n LYS 148 N 2.94 0.60 -3.74 2.72 5.02 0.20 -4.93 118.16 120.97 2wba n LYS 148 Ca 0.05 0.15 -0.14 0.00 -2.02 0.00 0.00 58.31 56.35 2wba n LYS 148 Cb 0.47 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.91 2wba n LYS 148 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2wba s GLU 149 N -2.49 0.63 -0.22 1.97 0.41 -1.04 -5.01 118.70 112.95 2wba s GLU 149 Ca -0.33 0.08 -0.01 0.00 -0.41 0.00 0.00 54.97 54.29 2wba s GLU 149 Cb 0.09 0.29 0.02 0.00 -1.78 0.00 0.00 34.13 32.74 2wba s GLU 149 CO 0.55 -0.15 -0.09 1.03 -0.49 0.00 0.00 175.26 176.10 2wba s ARG 150 N -0.82 2.98 -0.35 1.61 0.52 -1.26 -0.57 118.95 121.05 2wba s ARG 150 Ca -0.09 -0.87 -0.09 0.00 -0.52 0.00 0.00 55.73 54.16 2wba s ARG 150 Cb -0.04 -2.88 0.03 0.00 0.52 0.00 0.00 34.95 32.58 2wba s ARG 150 CO 0.03 -0.31 0.16 -0.51 0.02 0.00 0.00 175.30 174.69 2wba s LEU 151 N 1.34 4.46 -0.06 2.53 1.43 0.52 -2.23 118.68 126.67 2wba s LEU 151 Ca 0.02 -0.96 -0.30 0.00 -1.03 0.00 0.00 54.13 51.86 2wba s LEU 151 Cb -0.15 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 2wba s LEU 151 CO -0.06 -0.33 1.25 -1.10 0.23 0.00 0.00 176.35 176.33 2wba s GLN 152 N 1.51 4.32 -0.09 1.70 -1.52 0.13 -1.08 119.66 124.63 2wba s GLN 152 Ca 0.01 1.72 0.00 0.00 -1.95 0.00 0.00 55.36 55.15 2wba s GLN 152 Cb -0.19 -3.59 0.02 0.00 -0.22 0.00 0.00 33.01 29.03 2wba s GLN 152 CO 0.05 -0.50 -0.08 0.00 -0.25 0.00 0.00 175.29 174.51 2wba s ALA 153 N 2.42 1.21 0.14 6.09 0.00 -0.08 -0.24 121.76 131.30 2wba s ALA 153 Ca 0.57 -0.44 -0.17 0.00 0.00 0.00 0.00 51.96 51.92 2wba s ALA 153 Cb -0.25 -0.77 -0.00 0.00 0.00 0.00 0.00 23.12 22.10 2wba s ALA 153 CO 0.22 -0.24 1.77 -0.44 0.00 0.00 0.00 175.76 177.07 2wba h ASP 154 N 7.77 0.45 -4.24 0.00 3.32 -1.42 -3.43 116.42 118.89 2wba h ASP 154 Ca -0.30 -0.05 -0.47 0.00 0.02 0.00 0.00 57.03 56.23 2wba h ASP 154 Cb 1.15 -0.11 -0.28 0.00 0.22 0.00 0.00 39.33 40.31 2wba h ASP 154 CO 0.42 0.37 -0.81 -1.00 -1.72 0.00 0.00 179.24 176.51 2wba s HIS 155 N -6.00 1.24 -0.10 4.55 3.76 -0.36 -4.85 115.29 113.54 2wba s HIS 155 Ca -0.13 -0.27 0.03 0.00 -0.15 0.00 0.00 55.06 54.54 2wba s HIS 155 Cb 0.10 -0.78 0.01 0.00 1.11 0.00 0.00 32.58 33.02 2wba s HIS 155 CO 0.73 0.00 -0.20 0.42 -0.85 0.00 0.00 174.74 174.84 2wba s ILE 156 N -0.50 1.74 -0.20 0.60 1.01 0.28 -1.02 121.20 123.12 2wba s ILE 156 Ca 0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 2wba s ILE 156 Cb -0.06 -1.54 -0.00 0.00 0.01 0.00 0.00 42.46 40.87 2wba s ILE 156 CO 0.00 0.49 -0.10 -0.22 0.00 0.00 0.00 174.94 175.11 2wba s LEU 157 N 0.56 2.63 -0.29 2.97 2.96 0.18 -0.79 118.68 126.89 2wba s LEU 157 Ca -0.15 -0.47 -0.18 0.00 -0.22 0.00 0.00 54.13 53.11 2wba s LEU 157 Cb -0.17 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 2wba s LEU 157 CO 0.05 0.01 0.54 -0.76 -1.32 0.00 0.00 176.35 174.87 2wba s LEU 158 N 1.28 4.13 -0.36 -0.68 1.43 0.51 -0.84 118.68 124.15 2wba s LEU 158 Ca 0.03 0.38 0.14 0.00 -1.03 0.00 0.00 54.13 53.65 2wba s LEU 158 Cb -0.14 -2.68 0.42 0.00 0.03 0.00 0.00 46.19 43.82 2wba s LEU 158 CO -0.05 -0.37 1.10 0.00 0.23 0.00 0.00 176.35 177.26 2wba n ALA 159 N 5.66 2.35 1.26 4.21 0.00 -0.39 -2.22 120.51 131.39 2wba n ALA 159 Ca -0.04 -2.39 0.12 0.00 0.00 0.00 0.00 53.44 51.13 2wba n ALA 159 Cb 0.49 -0.97 0.41 0.00 0.00 0.00 0.00 19.45 19.38 2wba n ALA 159 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wba n THR 160 N -0.23 0.15 -4.77 0.00 -2.24 -1.20 -4.32 114.28 101.67 2wba n THR 160 Ca 0.05 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2wba n THR 160 Cb 0.82 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 2wba n THR 160 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wba n GLY 161 N 1.17 1.37 3.39 3.38 0.00 -1.26 -4.63 105.19 108.60 2wba n GLY 161 Ca 0.17 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 2wba n GLY 161 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wba s SER 162 N -4.00 2.11 -0.01 1.61 1.04 -1.26 -1.40 113.70 111.79 2wba s SER 162 Ca 0.00 -1.68 -0.09 0.00 0.48 0.00 0.00 55.95 54.66 2wba s SER 162 Cb 0.00 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.63 2wba s SER 162 CO 0.00 -0.97 0.18 0.86 0.98 0.00 0.00 173.24 174.29 2wba s TRP 163 N -3.39 -0.03 0.39 5.02 -0.11 0.09 -4.78 118.94 116.13 2wba s TRP 163 Ca 0.32 0.01 -0.27 0.00 1.22 0.00 0.00 56.10 57.38 2wba s TRP 163 Cb 0.03 -0.01 -0.10 0.00 -1.50 0.00 0.00 33.47 31.89 2wba s TRP 163 CO 0.20 -0.30 1.42 -2.14 -4.62 0.00 0.00 176.95 171.51 2wba s PRO 164 N -1.26 4.03 -0.00 5.86 0.02 -1.26 -0.39 135.00 141.99 2wba s PRO 164 Ca -0.13 2.42 -0.23 0.00 0.02 0.00 0.00 61.00 63.08 2wba s PRO 164 Cb -0.07 -2.88 -0.05 0.00 0.02 0.00 0.00 34.50 31.52 2wba s PRO 164 CO 0.02 -0.54 0.69 -1.14 -0.33 0.00 0.00 177.00 175.70 2wba s GLN 165 N -2.15 4.42 -0.11 5.54 0.74 -0.42 -4.78 119.66 122.90 2wba s GLN 165 Ca 0.55 0.89 0.03 0.00 0.05 0.00 0.00 55.36 56.88 2wba s GLN 165 Cb -0.44 -3.38 0.01 0.00 1.10 0.00 0.00 33.01 30.30 2wba s GLN 165 CO 0.58 0.25 -0.21 -1.64 -0.55 0.00 0.00 175.29 173.72 2wba s MET 166 N 0.15 2.79 0.56 1.67 -1.94 -1.26 -4.47 119.30 116.79 2wba s MET 166 Ca 0.36 -0.78 -0.19 0.00 -1.71 0.00 0.00 55.69 53.36 2wba s MET 166 Cb -0.19 -2.19 -0.05 0.00 2.01 0.00 0.00 34.83 34.41 2wba s MET 166 CO 0.19 0.07 1.15 -1.25 -0.01 0.00 0.00 175.02 175.17 2wba s PRO 167 N 0.61 3.25 -1.19 2.03 0.04 -1.26 -4.93 135.00 133.55 2wba s PRO 167 Ca -0.13 1.65 -0.17 0.00 0.04 0.00 0.00 61.00 62.39 2wba s PRO 167 Cb -0.17 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.50 2wba s PRO 167 CO 0.04 -0.94 1.52 0.00 0.04 0.00 0.00 177.00 177.65 2wba s ALA 168 N -1.75 3.52 0.14 8.56 0.00 -1.26 -4.85 121.76 126.13 2wba s ALA 168 Ca 0.74 -3.00 0.09 0.00 0.00 0.00 0.00 51.96 49.79 2wba s ALA 168 Cb -0.25 -4.36 -0.04 0.00 0.00 0.00 0.00 23.12 18.47 2wba s ALA 168 CO 0.29 -3.09 -0.21 0.96 0.00 0.00 0.00 175.76 173.70 2wba s ILE 169 N 3.10 1.93 0.10 0.00 -4.36 -1.26 -5.10 121.20 115.61 2wba s ILE 169 Ca 0.46 -1.77 -0.31 0.00 -0.26 0.00 0.00 60.65 58.77 2wba s ILE 169 Cb -0.00 -1.80 -0.11 0.00 1.25 0.00 0.00 42.46 41.80 2wba s ILE 169 CO 0.01 -0.12 1.85 -2.65 0.24 0.00 0.00 174.94 174.26 2wba n PRO 170 N 0.69 2.73 -0.35 0.37 -0.02 -1.26 -2.42 135.00 134.74 2wba n PRO 170 Ca -0.16 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2wba n PRO 170 Cb 0.55 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 2wba n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wba n GLY 171 N 4.24 0.80 0.29 -1.23 0.00 -1.25 -1.33 105.19 106.72 2wba n GLY 171 Ca 0.19 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2wba n GLY 171 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2wba h ILE 172 N 0.00 0.61 0.00 -0.61 6.09 -1.75 -1.50 117.51 120.35 2wba h ILE 172 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2wba h ILE 172 Cb 0.00 1.00 0.00 0.00 0.47 0.00 0.00 36.82 38.29 2wba h ILE 172 CO 0.00 0.00 0.00 1.05 -3.07 0.00 0.00 178.15 176.13 2wba h GLU 173 N 0.00 0.00 -0.01 2.19 9.09 -1.93 -1.52 114.58 122.40 2wba h GLU 173 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2wba h GLU 173 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2wba h GLU 173 CO -0.00 0.00 -0.10 0.72 0.05 0.00 0.00 179.01 179.68 2wba n HIS 174 N -2.88 0.00 -4.01 2.06 8.25 -0.56 -4.90 115.22 113.17 2wba n HIS 174 Ca -0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.23 2wba n HIS 174 Cb 0.21 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 2wba n HIS 174 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wba s ILE 176 N -1.98 1.49 0.20 0.00 -4.36 0.30 -4.99 121.20 111.87 2wba s ILE 176 Ca 0.34 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.76 2wba s ILE 176 Cb -0.09 -2.47 0.00 0.00 1.25 0.00 0.00 42.46 41.16 2wba s ILE 176 CO 0.27 0.00 0.04 -1.54 0.24 0.00 0.00 174.94 173.95 2wba n SER 177 N -1.18 2.34 -0.16 4.36 3.41 -1.26 -0.22 113.62 120.90 2wba n SER 177 Ca -0.13 -1.84 0.11 0.00 -0.26 0.00 0.00 58.87 56.75 2wba n SER 177 Cb 0.67 0.10 0.44 0.00 -0.26 0.00 0.00 64.21 65.15 2wba n SER 177 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2wba h SER 178 N 0.42 0.51 -0.30 4.04 4.64 -1.95 -2.69 113.55 118.22 2wba h SER 178 Ca -0.16 0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2wba h SER 178 Cb 0.50 -0.09 -0.08 0.00 -0.31 0.00 0.00 62.40 62.42 2wba h SER 178 CO 0.26 0.30 -0.30 0.78 -0.87 0.00 0.00 176.83 176.99 2wba h ASN 179 N 0.56 -0.99 0.96 4.97 2.35 -1.95 -2.36 115.58 119.12 2wba h ASN 179 Ca 0.34 0.17 -0.11 0.00 -0.55 0.00 0.00 56.30 56.15 2wba h ASN 179 Cb 0.56 0.45 -0.02 0.00 0.05 0.00 0.00 38.32 39.36 2wba h ASN 179 CO -0.12 -0.32 -0.52 -0.33 -1.65 0.00 0.00 177.43 174.49 2wba h GLU 180 N -0.28 0.00 -0.39 0.81 3.07 -1.92 -3.13 114.58 112.74 2wba h GLU 180 Ca 0.15 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 59.04 2wba h GLU 180 Cb 0.52 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 2wba h GLU 180 CO -0.46 0.52 0.26 0.00 -1.40 0.00 0.00 179.01 177.93 2wba h ALA 181 N 1.48 1.89 0.00 3.43 0.00 -1.10 -0.89 119.26 124.07 2wba h ALA 181 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wba h ALA 181 Cb 1.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2wba h ALA 181 CO 0.07 0.06 0.00 1.19 0.00 0.00 0.00 179.25 180.57 2wba n PHE 182 N -4.48 0.33 -0.47 0.00 3.72 -1.11 -3.45 117.46 111.99 2wba n PHE 182 Ca 0.04 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 2wba n PHE 182 Cb 0.17 -0.73 0.00 0.00 -0.94 0.00 0.00 39.48 37.99 2wba n PHE 182 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2wba n TYR 183 N -1.81 0.00 -1.62 1.38 4.01 -0.36 -5.01 117.16 113.75 2wba n TYR 183 Ca 0.02 -0.23 -0.50 0.00 -0.16 0.00 0.00 57.90 57.03 2wba n TYR 183 Cb 0.14 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.09 2wba n TYR 183 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2wba n LEU 184 N -0.23 2.20 -0.20 7.72 4.77 -1.06 -4.85 117.00 125.34 2wba n LEU 184 Ca 0.00 1.10 -0.03 0.00 -0.03 0.00 0.00 56.01 57.05 2wba n LEU 184 Cb 0.34 -1.28 0.15 0.00 -2.33 0.00 0.00 43.42 40.31 2wba n LEU 184 CO 0.00 -0.76 1.05 -0.65 -1.33 0.00 0.00 177.39 175.70 2wba h PRO 185 N 5.11 0.99 -4.87 3.23 0.11 -1.95 -3.45 132.00 131.17 2wba h PRO 185 Ca -0.47 -0.17 -0.29 0.00 0.11 0.00 0.00 66.00 65.19 2wba h PRO 185 Cb 1.30 -0.17 -0.16 0.00 0.11 0.00 0.00 31.00 32.09 2wba h PRO 185 CO 0.82 0.81 -0.72 -1.83 -0.21 0.00 0.00 178.00 176.88 2wba s GLU 186 N -5.44 0.88 0.08 1.05 -1.05 -1.26 -4.72 118.70 108.24 2wba s GLU 186 Ca -0.11 -1.27 -0.30 0.00 -0.15 0.00 0.00 54.97 53.14 2wba s GLU 186 Cb 0.16 -0.44 -0.05 0.00 -0.44 0.00 0.00 34.13 33.36 2wba s GLU 186 CO 0.81 0.05 1.04 -1.25 0.95 0.00 0.00 175.26 176.86 2wba s PRO 187 N -3.32 4.58 0.20 -4.83 0.04 -1.26 -5.00 135.00 125.41 2wba s PRO 187 Ca 0.10 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 2wba s PRO 187 Cb 0.01 -3.38 -0.09 0.00 0.04 0.00 0.00 34.50 31.08 2wba s PRO 187 CO -0.01 0.00 1.25 -1.25 0.04 0.00 0.00 177.00 177.03 2wba s PRO 188 N 0.50 4.44 0.09 0.56 0.04 -1.26 -4.60 135.00 134.76 2wba s PRO 188 Ca 0.52 1.98 -0.18 0.00 0.04 0.00 0.00 61.00 63.35 2wba s PRO 188 Cb -0.25 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.01 2wba s PRO 188 CO 0.30 -0.16 1.54 -0.09 0.04 0.00 0.00 177.00 178.63 2wba h ARG 189 N 5.15 0.44 -5.34 4.56 2.43 -1.93 -3.40 114.38 116.28 2wba h ARG 189 Ca -0.45 -0.13 -0.62 0.00 -0.81 0.00 0.00 59.98 57.97 2wba h ARG 189 Cb 1.21 -0.04 -0.32 0.00 -0.42 0.00 0.00 29.97 30.40 2wba h ARG 189 CO 0.75 0.59 -0.86 1.03 -1.51 0.00 0.00 179.97 179.97 2wba s ARG 190 N -5.06 2.39 -0.01 0.20 0.52 -1.26 -0.58 118.95 115.15 2wba s ARG 190 Ca -0.14 -0.74 -0.01 0.00 -0.52 0.00 0.00 55.73 54.33 2wba s ARG 190 Cb 0.08 -1.93 0.01 0.00 0.52 0.00 0.00 34.95 33.63 2wba s ARG 190 CO 0.74 0.21 0.03 0.54 0.02 0.00 0.00 175.30 176.85 2wba s VAL 191 N 0.21 -0.02 -0.23 3.52 0.11 -1.03 -0.13 120.40 122.84 2wba s VAL 191 Ca -0.11 0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 58.95 2wba s VAL 191 Cb -0.15 -0.06 -0.02 0.00 -1.53 0.00 0.00 36.38 34.62 2wba s VAL 191 CO 0.05 0.02 -0.00 -0.22 -3.33 0.00 0.00 175.10 171.63 2wba s LEU 192 N 0.32 3.10 -0.24 2.54 2.96 0.09 -0.61 118.68 126.84 2wba s LEU 192 Ca -0.03 -0.32 -0.09 0.00 -0.22 0.00 0.00 54.13 53.47 2wba s LEU 192 Cb -0.04 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2wba s LEU 192 CO -0.01 -0.02 0.13 0.42 -1.32 0.00 0.00 176.35 175.55 2wba s THR 193 N 1.52 5.06 -0.32 3.68 -4.23 -0.13 -0.42 115.64 120.80 2wba s THR 193 Ca 0.06 0.08 -0.12 0.00 -1.18 0.00 0.00 61.69 60.53 2wba s THR 193 Cb -0.15 -3.36 -0.02 0.00 1.34 0.00 0.00 72.50 70.32 2wba s THR 193 CO -0.01 0.35 0.21 -0.69 -0.54 0.00 0.00 174.62 173.94 2wba s VAL 194 N 1.14 5.10 0.00 2.29 1.01 0.03 -1.47 120.40 128.51 2wba s VAL 194 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2wba s VAL 194 Cb -0.14 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2wba s VAL 194 CO 0.05 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.80 2wba n GLY 195 N 5.07 3.96 0.69 4.51 0.00 0.18 -0.52 105.19 119.08 2wba n GLY 195 Ca -0.13 -1.57 0.06 0.00 0.00 0.00 0.00 46.02 44.38 2wba n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wba n GLY 196 N -1.48 3.09 0.21 -0.02 0.00 -1.26 -4.58 105.19 101.15 2wba n GLY 196 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 46.02 45.47 2wba n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wba n GLY 197 N 0.23 0.23 0.27 -0.02 0.00 -1.26 -0.05 105.19 104.59 2wba n GLY 197 Ca 0.14 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.19 2wba n GLY 197 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wba h PHE 198 N -0.57 0.95 -0.40 1.61 -0.00 -1.95 -2.41 116.94 114.16 2wba h PHE 198 Ca -0.02 -0.22 -0.05 0.00 -0.00 0.00 0.00 57.97 57.68 2wba h PHE 198 Cb 0.07 -0.22 -0.02 0.00 -0.00 0.00 0.00 35.95 35.78 2wba h PHE 198 CO 0.00 0.98 0.07 0.82 -0.00 0.00 0.00 178.31 180.17 2wba h ILE 199 N 0.72 1.24 -0.55 0.88 2.04 -1.95 0.11 117.51 120.01 2wba h ILE 199 Ca 0.10 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 2wba h ILE 199 Cb 0.76 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 2wba h ILE 199 CO 0.06 0.30 0.26 -1.28 0.00 0.00 0.00 178.15 177.48 2wba h SER 200 N 0.52 0.72 -0.33 1.72 0.87 -1.79 -1.87 113.55 113.38 2wba h SER 200 Ca 0.12 -0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.48 2wba h SER 200 Cb 0.37 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2wba h SER 200 CO 0.01 0.65 -0.05 0.58 -0.53 0.00 0.00 176.83 177.49 2wba h VAL 201 N 0.73 1.27 -0.41 2.23 2.07 -1.29 -1.46 116.25 119.40 2wba h VAL 201 Ca 0.19 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 2wba h VAL 201 Cb 0.13 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2wba h VAL 201 CO -0.02 0.35 0.17 -0.33 0.02 0.00 0.00 177.57 177.76 2wba h GLU 202 N 0.40 0.60 -0.34 1.57 5.08 -0.63 -2.74 114.58 118.52 2wba h GLU 202 Ca 0.09 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 2wba h GLU 202 Cb 0.53 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2wba h GLU 202 CO 0.03 0.55 -0.32 0.74 -1.00 0.00 0.00 179.01 179.00 2wba h PHE 203 N 0.51 0.88 -0.83 4.33 0.04 -1.38 -2.55 116.94 117.94 2wba h PHE 203 Ca 0.14 -0.24 0.16 0.00 2.80 0.00 0.00 57.97 60.83 2wba h PHE 203 Cb 0.17 -0.20 -0.10 0.00 2.20 0.00 0.00 35.95 38.02 2wba h PHE 203 CO -0.00 0.98 0.40 0.00 -0.60 0.00 0.00 178.31 179.09 2wba h ALA 204 N 1.00 1.25 -0.38 2.45 0.00 -1.14 0.19 119.26 122.63 2wba h ALA 204 Ca 0.07 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 2wba h ALA 204 Cb 0.86 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2wba h ALA 204 CO 0.07 -0.15 -0.24 0.78 0.00 0.00 0.00 179.25 179.71 2wba h GLY 205 N 0.55 0.82 0.68 0.00 0.00 -1.25 -1.42 103.07 102.45 2wba h GLY 205 Ca 0.46 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 2wba h GLY 205 CO -0.39 0.64 -0.01 -2.22 0.00 0.00 0.00 176.54 174.56 2wba h ILE 206 N 0.66 1.28 -0.18 2.60 2.04 -0.84 -3.00 117.51 120.07 2wba h ILE 206 Ca 0.09 -0.86 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 2wba h ILE 206 Cb 0.75 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 2wba h ILE 206 CO 0.06 0.23 -0.21 -0.26 0.00 0.00 0.00 178.15 177.97 2wba h PHE 207 N -0.25 0.33 -0.40 1.37 0.04 -0.66 -2.72 116.94 114.64 2wba h PHE 207 Ca 0.01 -0.06 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 2wba h PHE 207 Cb 0.37 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 2wba h PHE 207 CO 0.05 0.51 0.07 -0.97 -0.60 0.00 0.00 178.31 177.37 2wba h ASN 208 N 0.28 0.55 0.76 2.17 -1.24 -1.23 -1.55 115.58 115.32 2wba h ASN 208 Ca 0.05 -0.09 -0.24 0.00 0.71 0.00 0.00 56.30 56.73 2wba h ASN 208 Cb 0.54 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 2wba h ASN 208 CO 0.04 0.57 -1.12 0.00 -1.29 0.00 0.00 177.43 175.63 2wba h ALA 209 N 1.51 0.23 -0.03 1.57 0.00 -1.35 -3.34 119.26 117.85 2wba h ALA 209 Ca 0.13 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2wba h ALA 209 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2wba h ALA 209 CO 0.00 1.06 -0.03 0.66 0.00 0.00 0.00 179.25 180.94 2wba n TYR 210 N -3.48 0.00 -1.81 0.00 4.01 -1.10 -4.85 117.16 109.93 2wba n TYR 210 Ca -0.05 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.28 2wba n TYR 210 Cb 0.97 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 40.00 2wba n TYR 210 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2wba s LYS 211 N -2.03 4.12 1.04 -0.72 -2.85 -0.59 -4.81 119.74 113.89 2wba s LYS 211 Ca 0.28 2.56 -0.15 0.00 -1.00 0.00 0.00 55.97 57.66 2wba s LYS 211 Cb 0.20 -2.98 0.21 0.00 -2.06 0.00 0.00 37.83 33.20 2wba s LYS 211 CO 0.32 -0.53 1.12 -1.25 0.10 0.00 0.00 175.35 175.11 2wba s PRO 212 N -1.95 0.09 0.38 1.78 0.04 -1.26 -4.85 135.00 129.22 2wba s PRO 212 Ca 0.54 0.23 -0.25 0.00 0.04 0.00 0.00 61.00 61.56 2wba s PRO 212 Cb -0.46 -1.72 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 2wba s PRO 212 CO 0.62 -2.90 0.95 -2.30 0.04 0.00 0.00 177.00 173.41 2wba n PRO 213 N -4.24 1.25 -1.57 0.56 -0.02 -1.26 -1.78 135.00 127.93 2wba n PRO 213 Ca 0.08 0.44 -0.12 0.00 -2.02 0.00 0.00 63.50 61.89 2wba n PRO 213 Cb 0.59 -1.90 -0.04 0.00 -0.02 0.00 0.00 33.50 32.12 2wba n PRO 213 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wba n GLY 214 N 1.28 0.93 3.85 -1.23 0.00 -1.26 -5.01 105.19 103.74 2wba n GLY 214 Ca 0.10 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 2wba n GLY 214 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wba s GLY 215 N -2.77 2.08 -0.11 -0.02 0.00 -0.73 -4.89 107.32 100.87 2wba s GLY 215 Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 44.72 44.80 2wba s GLY 215 CO 0.00 0.39 0.24 1.25 0.00 0.00 0.00 173.10 174.97 2wba s LYS 216 N -3.93 0.16 -0.21 2.90 2.47 0.25 -5.00 119.74 116.38 2wba s LYS 216 Ca 0.58 0.61 -0.12 0.00 -1.56 0.00 0.00 55.97 55.47 2wba s LYS 216 Cb -0.10 -0.11 -0.05 0.00 -1.46 0.00 0.00 37.83 36.11 2wba s LYS 216 CO 0.29 -0.23 0.24 0.08 0.16 0.00 0.00 175.35 175.89 2wba s VAL 217 N 1.81 5.32 -0.10 4.02 1.01 -1.26 -2.45 120.40 128.74 2wba s VAL 217 Ca -0.04 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.34 2wba s VAL 217 Cb -0.11 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2wba s VAL 217 CO -0.08 0.35 -0.17 -0.89 0.00 0.00 0.00 175.10 174.31 2wba s THR 218 N 0.87 2.69 -0.11 3.92 2.01 0.22 -1.61 115.64 123.63 2wba s THR 218 Ca 0.12 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.31 2wba s THR 218 Cb -0.13 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 2wba s THR 218 CO 0.04 0.55 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.20 2wba s LEU 219 N 0.08 2.94 0.04 4.42 0.20 0.55 -0.96 118.68 125.95 2wba s LEU 219 Ca -0.07 -0.19 0.09 0.00 0.69 0.00 0.00 54.13 54.64 2wba s LEU 219 Cb -0.15 -1.66 -0.03 0.00 -0.43 0.00 0.00 46.19 43.92 2wba s LEU 219 CO 0.05 0.24 -0.26 0.00 -0.29 0.00 0.00 176.35 176.09 2wba s TYR 221 N -0.79 -0.00 0.23 0.00 5.04 0.96 -0.64 117.35 122.14 2wba s TYR 221 Ca 0.12 0.09 0.26 0.00 -2.44 0.00 0.00 57.07 55.09 2wba s TYR 221 Cb -0.10 -0.10 1.12 0.00 0.35 0.00 0.00 41.96 43.23 2wba s TYR 221 CO 0.02 -0.04 1.91 0.07 -1.34 0.00 0.00 175.55 176.17 2wba h ARG 222 N 6.64 0.00 0.00 4.97 0.11 -1.82 0.18 114.38 124.46 2wba h ARG 222 Ca -0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.75 2wba h ARG 222 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 2wba h ARG 222 CO 0.49 0.18 0.00 0.09 0.10 0.00 0.00 179.97 180.84 2wba n ASN 223 N -3.45 0.98 0.11 0.08 5.03 -1.26 -3.89 115.26 112.86 2wba n ASN 223 Ca -0.00 -0.62 -0.18 0.00 0.87 0.00 0.00 54.58 54.64 2wba n ASN 223 Cb 0.36 0.00 -0.15 0.00 -1.02 0.00 0.00 39.78 38.98 2wba n ASN 223 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 2wba h ASN 224 N 0.00 0.54 -3.38 6.41 -0.26 -1.94 0.13 115.58 117.08 2wba h ASN 224 Ca 0.00 -0.59 -0.35 0.00 -0.56 0.00 0.00 56.30 54.80 2wba h ASN 224 Cb 0.00 -0.18 -0.37 0.00 -1.06 0.00 0.00 38.32 36.71 2wba h ASN 224 CO 0.00 1.46 -0.74 -0.22 -1.06 0.00 0.00 177.43 176.88 2wba s LEU 225 N -7.27 0.46 1.06 1.61 2.96 -1.26 -4.79 118.68 111.45 2wba s LEU 225 Ca -0.06 0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 53.80 2wba s LEU 225 Cb 0.06 -0.12 0.22 0.00 0.50 0.00 0.00 46.19 46.85 2wba s LEU 225 CO 0.90 -0.21 1.07 0.27 -1.32 0.00 0.00 176.35 177.06 2wba s ILE 226 N 1.80 2.14 -1.16 6.68 -4.36 -1.26 -4.27 121.20 120.76 2wba s ILE 226 Ca 0.00 0.04 -0.04 0.00 -0.26 0.00 0.00 60.65 60.40 2wba s ILE 226 Cb -0.12 -2.20 0.00 0.00 1.25 0.00 0.00 42.46 41.39 2wba s ILE 226 CO -0.03 -0.06 0.99 0.18 0.24 0.00 0.00 174.94 176.27 2wba n LEU 227 N -4.56 -3.56 -4.69 0.37 4.77 0.93 -4.81 117.00 105.45 2wba n LEU 227 Ca 0.06 -0.52 -0.43 0.00 -0.03 0.00 0.00 56.01 55.08 2wba n LEU 227 Cb 0.54 -2.84 -0.02 0.00 -2.33 0.00 0.00 43.42 38.77 2wba n LEU 227 CO 0.55 0.47 1.00 -1.14 -1.33 0.00 0.00 177.39 176.95 2wba n ARG 228 N -4.22 2.17 0.00 3.23 0.63 -1.26 -2.14 116.66 115.07 2wba n ARG 228 Ca -0.12 0.77 0.00 0.00 -0.92 0.00 0.00 57.85 57.57 2wba n ARG 228 Cb 0.60 -2.41 0.00 0.00 0.45 0.00 0.00 32.46 31.10 2wba n ARG 228 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wba n GLY 229 N 1.61 2.77 4.00 5.14 0.00 -1.26 -5.04 105.19 112.41 2wba n GLY 229 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 2wba n GLY 229 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wba s PHE 230 N -2.68 2.93 0.29 1.61 0.40 -0.91 -4.88 117.98 114.74 2wba s PHE 230 Ca 0.00 -0.30 -0.29 0.00 -0.60 0.00 0.00 56.93 55.73 2wba s PHE 230 Cb 0.00 -2.26 -0.13 0.00 0.51 0.00 0.00 43.02 41.14 2wba s PHE 230 CO 0.00 -0.29 1.30 -3.47 0.70 0.00 0.00 175.22 173.46 2wba n ASP 231 N -1.80 2.56 -0.14 1.36 -0.08 -1.26 -4.82 116.55 112.36 2wba n ASP 231 Ca 0.05 1.18 -0.10 0.00 -1.51 0.00 0.00 54.79 54.41 2wba n ASP 231 Cb 0.59 -1.43 -0.01 0.00 2.34 0.00 0.00 41.12 42.60 2wba n ASP 231 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2wba h GLU 232 N 3.19 0.70 -0.97 -0.67 4.81 -1.97 -0.50 114.58 119.17 2wba h GLU 232 Ca -0.45 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 58.63 2wba h GLU 232 Cb 1.29 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.53 2wba h GLU 232 CO 0.68 0.75 0.63 1.15 -0.73 0.00 0.00 179.01 181.49 2wba h THR 233 N 0.54 1.14 -0.33 0.32 2.02 -2.00 -1.80 112.91 112.81 2wba h THR 233 Ca 0.12 -0.41 -0.12 0.00 0.77 0.00 0.00 66.41 66.77 2wba h THR 233 Cb 0.41 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 2wba h THR 233 CO 0.01 0.22 -0.27 0.40 0.37 0.00 0.00 175.52 176.25 2wba h ILE 234 N 1.19 1.29 -0.59 3.11 2.04 -1.81 -0.70 117.51 122.06 2wba h ILE 234 Ca 0.40 -1.43 0.06 0.00 1.00 0.00 0.00 64.86 64.88 2wba h ILE 234 Cb 0.06 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 2wba h ILE 234 CO -0.13 0.47 0.30 0.03 0.00 0.00 0.00 178.15 178.81 2wba h ARG 235 N 0.54 0.54 -0.39 2.37 3.08 -0.81 0.22 114.38 119.93 2wba h ARG 235 Ca 0.06 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 2wba h ARG 235 Cb 0.84 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2wba h ARG 235 CO 0.07 0.36 -0.17 0.93 -1.07 0.00 0.00 179.97 180.09 2wba h GLU 236 N 0.56 0.80 -0.28 0.04 4.39 -1.23 -2.66 114.58 116.19 2wba h GLU 236 Ca 0.27 -0.34 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 2wba h GLU 236 Cb 0.19 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2wba h GLU 236 CO -0.19 0.97 -0.13 0.93 -1.16 0.00 0.00 179.01 179.43 2wba h GLU 237 N 0.60 0.59 -0.95 2.33 4.39 -0.73 -2.34 114.58 118.46 2wba h GLU 237 Ca 0.09 -0.26 0.04 0.00 0.34 0.00 0.00 59.36 59.58 2wba h GLU 237 Cb 0.72 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.29 2wba h GLU 237 CO 0.05 0.82 0.62 0.28 -1.16 0.00 0.00 179.01 179.63 2wba h VAL 238 N 0.33 1.13 -0.52 3.13 2.07 -0.62 0.23 116.25 122.01 2wba h VAL 238 Ca 0.06 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2wba h VAL 238 Cb 0.65 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 2wba h VAL 238 CO 0.04 0.21 0.29 0.74 0.02 0.00 0.00 177.57 178.88 2wba h THR 239 N 1.17 1.02 -0.57 2.57 2.02 -1.36 -0.25 112.91 117.51 2wba h THR 239 Ca 0.39 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 67.29 2wba h THR 239 Cb 0.05 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2wba h THR 239 CO -0.14 0.11 0.03 0.11 0.37 0.00 0.00 175.52 175.99 2wba h LYS 240 N 0.58 0.97 0.00 6.66 1.57 -0.80 -2.56 116.57 122.99 2wba h LYS 240 Ca 0.21 -0.28 -0.18 0.00 -1.87 0.00 0.00 60.65 58.53 2wba h LYS 240 Cb 0.06 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 2wba h LYS 240 CO -0.11 0.94 -0.98 1.96 -0.57 0.00 0.00 179.45 180.69 2wba h GLN 241 N 0.90 0.00 -0.09 3.15 4.20 -0.63 -1.31 115.11 121.33 2wba h GLN 241 Ca 0.17 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 2wba h GLN 241 Cb 0.49 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 2wba h GLN 241 CO 0.02 0.68 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.72 2wba h LEU 242 N 0.00 0.23 -0.61 1.46 3.38 -1.09 -2.84 115.31 115.84 2wba h LEU 242 Ca -0.06 -0.46 0.11 0.00 0.09 0.00 0.00 57.88 57.55 2wba h LEU 242 Cb 1.65 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 42.26 2wba h LEU 242 CO 0.09 0.64 0.18 0.74 0.09 0.00 0.00 178.44 180.18 2wba h THR 243 N -0.18 0.70 0.00 0.22 2.02 -1.44 -1.53 112.91 112.69 2wba h THR 243 Ca 0.02 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 2wba h THR 243 Cb 0.57 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2wba h THR 243 CO 0.02 0.06 -0.09 0.00 0.37 0.00 0.00 175.52 175.87 2wba h ALA 244 N 1.45 1.28 -0.40 6.16 0.00 -1.24 -1.13 119.26 125.39 2wba h ALA 244 Ca 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2wba h ALA 244 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2wba h ALA 244 CO -0.36 0.12 0.00 -1.71 0.00 0.00 0.00 179.25 177.30 2wba n ASN 245 N -3.61 2.43 0.00 0.00 5.15 -0.62 -4.93 115.26 113.68 2wba n ASN 245 Ca -0.02 -1.94 0.00 0.00 -0.60 0.00 0.00 54.58 52.02 2wba n ASN 245 Cb 0.22 -0.27 0.00 0.00 -0.53 0.00 0.00 39.78 39.20 2wba n ASN 245 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wba n GLY 246 N 1.25 0.76 3.71 8.20 0.00 -0.43 -5.05 105.19 113.63 2wba n GLY 246 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2wba n GLY 246 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wba s ILE 247 N -2.00 5.02 -0.17 -0.61 1.01 -0.92 -4.58 121.20 118.96 2wba s ILE 247 Ca 0.00 1.47 -0.26 0.00 0.00 0.00 0.00 60.65 61.86 2wba s ILE 247 Cb 0.00 -4.06 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 2wba s ILE 247 CO 0.00 0.22 0.87 -1.61 0.00 0.00 0.00 174.94 174.43 2wba s GLU 248 N 0.98 4.30 -0.37 2.79 0.41 -0.63 -3.68 118.70 122.50 2wba s GLU 248 Ca 0.38 1.10 -0.11 0.00 -0.41 0.00 0.00 54.97 55.93 2wba s GLU 248 Cb -0.18 -3.58 0.02 0.00 -1.78 0.00 0.00 34.13 28.62 2wba s GLU 248 CO 0.18 -0.37 0.20 0.42 -0.49 0.00 0.00 175.26 175.20 2wba s ILE 249 N 2.27 4.54 -0.52 -1.63 1.01 -1.26 -0.33 121.20 125.28 2wba s ILE 249 Ca 0.40 -0.82 -0.19 0.00 0.00 0.00 0.00 60.65 60.03 2wba s ILE 249 Cb -0.17 -3.51 0.07 0.00 0.01 0.00 0.00 42.46 38.86 2wba s ILE 249 CO 0.12 -0.20 0.65 -0.04 0.00 0.00 0.00 174.94 175.47 2wba s MET 250 N 1.55 3.11 0.33 2.79 -1.94 0.17 -4.99 119.30 120.32 2wba s MET 250 Ca 0.02 -0.97 0.00 0.00 -1.71 0.00 0.00 55.69 53.03 2wba s MET 250 Cb -0.19 -4.13 -0.04 0.00 2.01 0.00 0.00 34.83 32.48 2wba s MET 250 CO 0.06 -1.29 0.53 0.95 -0.01 0.00 0.00 175.02 175.27 2wba s THR 251 N 2.66 5.11 -1.42 2.05 -4.23 -1.26 -0.02 115.64 118.53 2wba s THR 251 Ca 0.15 -0.43 -0.00 0.00 -1.18 0.00 0.00 61.69 60.23 2wba s THR 251 Cb -0.20 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.80 2wba s THR 251 CO 0.11 -0.50 0.03 0.59 -0.54 0.00 0.00 174.62 174.31 2wba n ASN 252 N -1.62 -4.91 -4.18 3.99 3.02 0.58 -4.87 115.26 107.27 2wba n ASN 252 Ca -0.05 0.07 -0.21 0.00 -0.03 0.00 0.00 54.58 54.36 2wba n ASN 252 Cb 0.56 -4.12 -0.13 0.00 -0.61 0.00 0.00 39.78 35.48 2wba n ASN 252 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2wba s GLU 253 N -5.08 1.00 -0.15 3.52 0.41 -0.77 -4.91 118.70 112.72 2wba s GLU 253 Ca 0.02 -0.86 -0.10 0.00 -0.41 0.00 0.00 54.97 53.62 2wba s GLU 253 Cb -0.01 -1.05 0.05 0.00 -1.78 0.00 0.00 34.13 31.34 2wba s GLU 253 CO 0.02 0.26 0.37 1.21 -0.49 0.00 0.00 175.26 176.63 2wba s ASN 254 N -1.33 -0.44 0.19 -0.19 2.47 -1.26 -2.90 114.94 111.48 2wba s ASN 254 Ca 0.02 0.79 -0.32 0.00 0.42 0.00 0.00 52.86 53.77 2wba s ASN 254 Cb -0.09 0.70 -0.12 0.00 -1.45 0.00 0.00 41.25 40.30 2wba s ASN 254 CO 0.02 -0.17 1.76 -2.84 -3.72 0.00 0.00 177.10 172.15 2wba s PRO 255 N 1.03 4.12 -0.19 0.43 0.02 -1.26 -0.23 135.00 138.93 2wba s PRO 255 Ca -0.07 2.62 0.16 0.00 0.02 0.00 0.00 61.00 63.73 2wba s PRO 255 Cb -0.07 -3.20 -0.24 0.00 0.02 0.00 0.00 34.50 31.01 2wba s PRO 255 CO -0.08 -0.78 0.11 0.00 -0.33 0.00 0.00 177.00 175.91 2wba n ALA 256 N 4.41 1.49 -3.44 -1.55 0.00 0.11 -4.72 120.51 116.81 2wba n ALA 256 Ca 0.16 -1.25 -0.12 0.00 0.00 0.00 0.00 53.44 52.24 2wba n ALA 256 Cb 0.36 -0.25 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 2wba n ALA 256 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2wba s LYS 257 N -2.51 1.20 -0.03 0.00 -2.85 -0.88 -4.18 119.74 110.49 2wba s LYS 257 Ca -0.12 -0.41 0.02 0.00 -1.00 0.00 0.00 55.97 54.47 2wba s LYS 257 Cb 0.06 0.55 0.01 0.00 -2.06 0.00 0.00 37.83 36.40 2wba s LYS 257 CO 0.81 -0.52 -0.08 0.08 0.10 0.00 0.00 175.35 175.74 2wba s VAL 258 N -3.51 0.74 0.15 1.79 1.01 -0.44 -1.26 120.40 118.88 2wba s VAL 258 Ca 0.01 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.75 2wba s VAL 258 Cb -0.01 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2wba s VAL 258 CO -0.11 0.24 -0.17 -0.94 0.00 0.00 0.00 175.10 174.12 2wba s SER 259 N 0.34 2.49 -0.13 3.32 1.04 -0.22 -3.86 113.70 116.68 2wba s SER 259 Ca -0.05 -0.84 -0.24 0.00 0.48 0.00 0.00 55.95 55.30 2wba s SER 259 Cb -0.10 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.86 2wba s SER 259 CO 0.01 -0.06 0.75 -0.22 0.98 0.00 0.00 173.24 174.70 2wba s LEU 260 N -2.56 4.23 0.81 2.42 2.96 -1.26 -0.15 118.68 125.12 2wba s LEU 260 Ca 0.13 1.14 -0.11 0.00 -0.22 0.00 0.00 54.13 55.07 2wba s LEU 260 Cb -0.06 -3.13 0.07 0.00 0.50 0.00 0.00 46.19 43.58 2wba s LEU 260 CO 0.05 -0.26 1.09 0.20 -1.32 0.00 0.00 176.35 176.11 2wba s ASN 261 N 1.02 4.36 0.38 3.68 0.01 0.14 -4.90 114.94 119.64 2wba s ASN 261 Ca 0.37 1.44 0.28 0.00 -0.71 0.00 0.00 52.86 54.24 2wba s ASN 261 Cb -0.17 -2.18 1.25 0.00 0.41 0.00 0.00 41.25 40.55 2wba s ASN 261 CO 0.15 -2.07 1.83 0.71 -1.51 0.00 0.00 177.10 176.21 2wba h THR 262 N -1.16 0.00 -0.39 1.60 1.35 -1.97 -1.14 112.91 111.20 2wba h THR 262 Ca -0.47 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 2wba h THR 262 Cb 1.26 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2wba h THR 262 CO 0.57 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.94 2wba n ASP 263 N -2.53 2.78 0.00 5.36 5.75 -1.26 -4.94 116.55 121.71 2wba n ASP 263 Ca 0.01 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 2wba n ASP 263 Cb 0.20 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 2wba n ASP 263 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wba n GLY 264 N 1.36 1.54 3.74 6.12 0.00 -0.43 -5.05 105.19 112.47 2wba n GLY 264 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2wba n GLY 264 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wba s SER 265 N -3.08 2.87 -0.09 1.61 1.04 -1.26 -4.72 113.70 110.07 2wba s SER 265 Ca 0.00 0.91 -0.00 0.00 0.48 0.00 0.00 55.95 57.34 2wba s SER 265 Cb 0.00 -1.43 -0.03 0.00 0.10 0.00 0.00 66.02 64.66 2wba s SER 265 CO 0.00 -2.94 -0.07 -0.54 0.98 0.00 0.00 173.24 170.67 2wba s LYS 266 N -5.26 2.99 -0.34 4.02 3.01 0.67 0.28 119.74 125.11 2wba s LYS 266 Ca 0.66 -0.55 -0.07 0.00 -1.01 0.00 0.00 55.97 55.00 2wba s LYS 266 Cb -0.14 -2.66 0.04 0.00 -1.01 0.00 0.00 37.83 34.05 2wba s LYS 266 CO 0.55 0.54 0.11 -1.58 0.51 0.00 0.00 175.35 175.49 2wba s HIS 267 N -0.48 3.25 -0.20 3.18 2.46 0.79 -1.53 115.29 122.75 2wba s HIS 267 Ca 0.07 -1.36 -0.10 0.00 0.47 0.00 0.00 55.06 54.14 2wba s HIS 267 Cb -0.12 -2.29 -0.05 0.00 -0.13 0.00 0.00 32.58 29.99 2wba s HIS 267 CO 0.02 -0.72 0.13 0.08 -2.47 0.00 0.00 174.74 171.79 2wba s VAL 268 N 1.42 5.41 -0.18 0.89 1.01 -0.28 -1.05 120.40 127.62 2wba s VAL 268 Ca -0.01 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2wba s VAL 268 Cb -0.19 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2wba s VAL 268 CO 0.03 0.43 -0.08 -0.89 0.00 0.00 0.00 175.10 174.59 2wba s THR 269 N 0.40 3.20 0.47 3.92 2.01 -0.39 -1.44 115.64 123.81 2wba s THR 269 Ca 0.08 -0.57 -0.05 0.00 0.31 0.00 0.00 61.69 61.46 2wba s THR 269 Cb -0.11 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 2wba s THR 269 CO -0.02 0.47 0.76 -0.36 -0.69 0.00 0.00 174.62 174.79 2wba s PHE 270 N 0.98 3.56 0.54 4.92 0.08 -0.09 0.07 117.98 128.04 2wba s PHE 270 Ca -0.01 0.76 0.28 0.00 0.12 0.00 0.00 56.93 58.09 2wba s PHE 270 Cb -0.15 -2.26 1.44 0.00 -0.57 0.00 0.00 43.02 41.49 2wba s PHE 270 CO -0.00 -0.24 1.95 0.93 -0.10 0.00 0.00 175.22 177.76 2wba h GLU 271 N 0.28 0.00 0.00 0.44 5.08 -0.89 0.17 114.58 119.65 2wba h GLU 271 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2wba h GLU 271 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2wba h GLU 271 CO 0.62 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 179.29 2wba h SER 272 N 0.00 0.00 0.00 1.42 4.64 -1.93 -3.47 113.55 114.20 2wba h SER 272 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2wba h SER 272 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2wba h SER 272 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2wba n GLY 273 N 0.75 1.66 3.64 -0.77 0.00 0.58 -5.08 105.19 105.98 2wba n GLY 273 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2wba n GLY 273 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wba n LYS 274 N -1.53 0.72 -4.28 1.61 5.02 -1.26 -4.73 118.16 113.71 2wba n LYS 274 Ca 0.00 0.30 -0.16 0.00 -2.02 0.00 0.00 58.31 56.43 2wba n LYS 274 Cb 0.00 -2.28 -0.10 0.00 -0.02 0.00 0.00 35.03 32.63 2wba n LYS 274 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wba s THR 275 N -1.66 1.36 -0.20 -0.18 -4.23 -1.26 -0.91 115.64 108.55 2wba s THR 275 Ca 0.76 -2.09 -0.13 0.00 -1.18 0.00 0.00 61.69 59.05 2wba s THR 275 Cb -0.37 -1.89 0.06 0.00 1.34 0.00 0.00 72.50 71.64 2wba s THR 275 CO 0.47 -0.68 0.50 -0.22 -0.54 0.00 0.00 174.62 174.15 2wba s LEU 276 N -3.17 -0.26 -0.22 4.79 2.96 -0.52 -4.99 118.68 117.26 2wba s LEU 276 Ca 0.18 1.07 -0.14 0.00 -0.22 0.00 0.00 54.13 55.03 2wba s LEU 276 Cb 0.01 1.69 -0.04 0.00 0.50 0.00 0.00 46.19 48.35 2wba s LEU 276 CO 0.03 -0.20 0.31 -1.81 -1.32 0.00 0.00 176.35 173.35 2wba s ASP 277 N 1.17 6.30 0.16 3.68 1.01 -1.26 -1.12 116.67 126.62 2wba s ASP 277 Ca -0.07 0.35 0.01 0.00 0.71 0.00 0.00 52.55 53.55 2wba s ASP 277 Cb -0.06 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 2wba s ASP 277 CO -0.11 -0.03 0.01 0.68 0.21 0.00 0.00 175.17 175.93 2wba s VAL 278 N 1.27 0.56 -0.07 -1.27 -7.23 -0.58 -4.94 120.40 108.14 2wba s VAL 278 Ca 0.14 -1.96 0.14 0.00 -1.81 0.00 0.00 61.98 58.49 2wba s VAL 278 Cb -0.14 -2.07 -0.17 0.00 0.56 0.00 0.00 36.38 34.56 2wba s VAL 278 CO 0.07 -0.50 0.85 0.44 -0.31 0.00 0.00 175.10 175.65 2wba h ASP 279 N 2.75 0.00 -3.66 4.85 3.32 -0.83 0.19 116.42 123.04 2wba h ASP 279 Ca -0.36 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.43 2wba h ASP 279 Cb 1.20 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.45 2wba h ASP 279 CO 0.62 0.78 -0.72 -0.69 -1.72 0.00 0.00 179.24 177.51 2wba s VAL 280 N -2.77 -0.02 -0.33 -1.35 1.01 -1.01 -4.62 120.40 111.31 2wba s VAL 280 Ca -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 2wba s VAL 280 Cb 0.08 -0.04 0.08 0.00 0.00 0.00 0.00 36.38 36.50 2wba s VAL 280 CO 0.81 0.03 0.06 -0.69 0.00 0.00 0.00 175.10 175.31 2wba s VAL 281 N 0.37 2.89 -0.40 2.92 1.01 -1.26 -0.73 120.40 125.20 2wba s VAL 281 Ca -0.03 -1.75 -0.16 0.00 0.00 0.00 0.00 61.98 60.04 2wba s VAL 281 Cb -0.05 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.52 2wba s VAL 281 CO -0.01 -0.35 0.37 -0.32 0.00 0.00 0.00 175.10 174.79 2wba s MET 282 N 1.15 3.14 -0.03 2.72 1.75 0.45 -0.54 119.30 127.94 2wba s MET 282 Ca 0.01 -0.79 -0.30 0.00 -1.25 0.00 0.00 55.69 53.36 2wba s MET 282 Cb -0.21 -3.94 -0.04 0.00 2.84 0.00 0.00 34.83 33.49 2wba s MET 282 CO -0.03 -0.75 1.16 -1.64 -0.65 0.00 0.00 175.02 173.10 2wba s MET 283 N 1.95 4.40 -0.37 4.11 -1.94 0.70 -0.79 119.30 127.35 2wba s MET 283 Ca 0.09 1.64 0.11 0.00 -1.71 0.00 0.00 55.69 55.83 2wba s MET 283 Cb -0.18 -3.50 0.34 0.00 2.01 0.00 0.00 34.83 33.50 2wba s MET 283 CO 0.12 -0.35 0.71 0.00 -0.01 0.00 0.00 175.02 175.49 2wba n ALA 284 N 4.75 2.03 0.62 3.03 0.00 0.32 -4.14 120.51 127.11 2wba n ALA 284 Ca 0.10 -3.39 0.10 0.00 0.00 0.00 0.00 53.44 50.25 2wba n ALA 284 Cb 0.47 -0.92 0.13 0.00 0.00 0.00 0.00 19.45 19.13 2wba n ALA 284 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2wba n ILE 285 N 0.42 0.21 0.00 0.00 -5.35 -1.24 -4.31 119.36 109.10 2wba n ILE 285 Ca 0.24 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 2wba n ILE 285 Cb 0.64 1.24 0.00 0.00 -1.74 0.00 0.00 39.64 39.78 2wba n ILE 285 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wba n GLY 286 N 1.21 1.78 2.96 3.28 0.00 -1.26 -4.96 105.19 108.19 2wba n GLY 286 Ca 0.14 -1.42 -0.20 0.00 0.00 0.00 0.00 46.02 44.54 2wba n GLY 286 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wba s ARG 287 N -1.88 0.88 -0.01 1.61 0.52 -1.26 -1.30 118.95 117.51 2wba s ARG 287 Ca 0.00 -0.22 0.08 0.00 -0.52 0.00 0.00 55.73 55.07 2wba s ARG 287 Cb 0.00 -0.84 -0.02 0.00 0.52 0.00 0.00 34.95 34.61 2wba s ARG 287 CO 0.00 0.04 -0.25 0.96 0.02 0.00 0.00 175.30 176.07 2wba s ILE 288 N 0.45 2.17 0.34 1.52 -4.36 0.47 -4.83 121.20 116.96 2wba s ILE 288 Ca -0.07 -1.11 -0.28 0.00 -0.26 0.00 0.00 60.65 58.93 2wba s ILE 288 Cb -0.10 -1.77 -0.12 0.00 1.25 0.00 0.00 42.46 41.71 2wba s ILE 288 CO 0.00 0.55 1.27 -2.65 0.24 0.00 0.00 174.94 174.36 2wba n PRO 289 N 2.32 2.08 -2.90 0.37 -0.02 -1.26 -0.73 135.00 134.86 2wba n PRO 289 Ca -0.16 0.73 -0.44 0.00 -2.02 0.00 0.00 63.50 61.61 2wba n PRO 289 Cb 0.51 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 2wba n PRO 289 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wba s ARG 290 N -1.86 3.72 -0.04 -0.52 0.52 -0.49 -4.71 118.95 115.57 2wba s ARG 290 Ca 0.56 -1.92 0.08 0.00 -0.52 0.00 0.00 55.73 53.93 2wba s ARG 290 Cb -0.58 -4.99 -0.12 0.00 0.52 0.00 0.00 34.95 29.78 2wba s ARG 290 CO 0.62 -1.81 0.13 0.25 0.02 0.00 0.00 175.30 174.51 2wba n THR 291 N 5.39 0.23 -0.11 0.02 -2.24 -1.26 -4.76 114.28 111.55 2wba n THR 291 Ca 0.28 -0.26 -0.05 0.00 -2.27 0.00 0.00 64.05 61.74 2wba n THR 291 Cb 0.48 -0.14 0.02 0.00 -2.10 0.00 0.00 70.33 68.59 2wba n THR 291 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2wba h ASN 292 N 0.00 -0.02 0.36 3.42 -0.26 -1.96 -2.34 115.58 114.78 2wba h ASN 292 Ca -0.09 0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 2wba h ASN 292 Cb 0.85 0.10 0.00 0.00 -1.06 0.00 0.00 38.32 38.21 2wba h ASN 292 CO 0.00 0.03 0.00 0.47 -1.06 0.00 0.00 177.43 176.87 2wba n ASP 293 N -5.11 0.00 0.01 5.81 8.00 -1.26 -3.50 116.55 120.50 2wba n ASP 293 Ca 0.02 -0.27 0.13 0.00 0.71 0.00 0.00 54.79 55.38 2wba n ASP 293 Cb 0.17 -0.21 0.46 0.00 -0.02 0.00 0.00 41.12 41.52 2wba n ASP 293 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wba n LEU 294 N -1.21 0.25 -3.71 0.64 4.77 -0.88 -4.61 117.00 112.25 2wba n LEU 294 Ca 0.14 0.33 -0.24 0.00 -0.03 0.00 0.00 56.01 56.21 2wba n LEU 294 Cb 0.18 -0.39 0.03 0.00 -2.33 0.00 0.00 43.42 40.90 2wba n LEU 294 CO 0.19 0.02 -0.10 0.00 -1.33 0.00 0.00 177.39 176.17 2wba n GLN 295 N -1.59 -3.37 0.23 3.23 1.13 -1.23 -1.65 117.38 114.14 2wba n GLN 295 Ca 0.06 0.55 0.11 0.00 -1.94 0.00 0.00 57.00 55.78 2wba n GLN 295 Cb 0.35 -4.81 0.50 0.00 0.11 0.00 0.00 30.24 26.39 2wba n GLN 295 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2wba h LEU 296 N -1.81 0.00 -1.82 1.08 3.38 -1.86 -2.65 115.31 111.64 2wba h LEU 296 Ca -0.63 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.31 2wba h LEU 296 Cb 1.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 2wba h LEU 296 CO 0.54 0.20 -0.15 1.23 0.09 0.00 0.00 178.44 180.36 2wba h GLY 297 N 1.95 0.00 0.79 0.83 0.00 -1.89 0.31 103.07 105.06 2wba h GLY 297 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.45 2wba h GLY 297 CO 0.03 0.00 0.49 3.43 0.00 0.00 0.00 176.54 180.48 2wba h ASN 298 N 0.00 0.46 0.00 0.19 4.21 -1.78 -3.19 115.58 115.47 2wba h ASN 298 Ca -0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 2wba h ASN 298 Cb 0.33 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 2wba h ASN 298 CO 0.02 0.25 -1.34 0.52 -1.29 0.00 0.00 177.43 175.60 2wba n VAL 299 N -4.49 0.00 -2.06 2.81 0.31 -0.78 -4.91 118.33 109.21 2wba n VAL 299 Ca 0.13 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2wba n VAL 299 Cb 0.44 0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.71 2wba n VAL 299 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wba n GLY 300 N 2.05 0.63 3.69 2.92 0.00 0.10 -5.00 105.19 109.58 2wba n GLY 300 Ca -0.01 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 2wba n GLY 300 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wba s VAL 301 N -2.33 3.39 0.16 1.61 1.01 -1.08 -4.91 120.40 118.24 2wba s VAL 301 Ca 0.00 0.86 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 2wba s VAL 301 Cb 0.00 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.76 2wba s VAL 301 CO 0.00 0.01 0.92 -0.54 0.00 0.00 0.00 175.10 175.49 2wba s LYS 302 N 2.17 4.72 0.16 2.72 1.02 -1.26 -4.82 119.74 124.45 2wba s LYS 302 Ca 0.67 1.40 0.03 0.00 0.02 0.00 0.00 55.97 58.09 2wba s LYS 302 Cb -0.35 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 2wba s LYS 302 CO 0.29 0.37 0.25 -0.51 -0.92 0.00 0.00 175.35 174.83 2wba s LEU 303 N -0.55 4.21 0.76 3.17 1.02 -1.26 -1.53 118.68 124.51 2wba s LEU 303 Ca 0.43 0.10 -0.12 0.00 0.02 0.00 0.00 54.13 54.56 2wba s LEU 303 Cb -0.24 -2.79 0.05 0.00 0.02 0.00 0.00 46.19 43.22 2wba s LEU 303 CO 0.30 0.05 1.11 0.42 0.02 0.00 0.00 176.35 178.24 2wba s THR 304 N -1.76 3.12 0.31 5.49 -4.23 0.16 -4.71 115.64 114.02 2wba s THR 304 Ca 0.34 0.36 0.07 0.00 -1.18 0.00 0.00 61.69 61.28 2wba s THR 304 Cb -0.11 -3.25 0.31 0.00 1.34 0.00 0.00 72.50 70.79 2wba s THR 304 CO 0.27 -0.48 1.78 -0.65 -0.54 0.00 0.00 174.62 175.01 2wba h PRO 305 N -0.89 0.71 -0.01 3.99 0.11 -2.00 -1.33 132.00 132.57 2wba h PRO 305 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2wba h PRO 305 Cb 1.27 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2wba h PRO 305 CO 0.62 0.47 -0.01 1.63 -0.21 0.00 0.00 178.00 180.50 2wba n LYS 306 N -4.75 1.42 0.00 1.05 4.76 -1.26 -4.93 118.16 114.45 2wba n LYS 306 Ca 0.23 -0.64 0.00 0.00 -2.87 0.00 0.00 58.31 55.03 2wba n LYS 306 Cb 0.59 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 2wba n LYS 306 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wba n GLY 307 N 1.13 0.73 3.85 0.72 0.00 -0.50 -4.91 105.19 106.20 2wba n GLY 307 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 2wba n GLY 307 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wba s GLY 308 N -1.10 1.82 -0.03 -0.02 0.00 -1.26 -4.73 107.32 102.01 2wba s GLY 308 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 44.72 44.48 2wba s GLY 308 CO 0.00 0.34 1.54 0.14 0.00 0.00 0.00 173.10 175.12 2wba s VAL 309 N -2.93 3.60 0.02 1.40 1.01 -0.61 0.37 120.40 123.26 2wba s VAL 309 Ca 0.57 0.86 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 2wba s VAL 309 Cb -0.12 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 2wba s VAL 309 CO 0.46 -0.04 1.30 -1.58 0.00 0.00 0.00 175.10 175.23 2wba s GLN 310 N 3.27 4.35 0.08 2.72 0.74 -0.58 -4.58 119.66 125.65 2wba s GLN 310 Ca 0.69 1.86 0.01 0.00 0.05 0.00 0.00 55.36 57.97 2wba s GLN 310 Cb -0.33 -3.45 -0.04 0.00 1.10 0.00 0.00 33.01 30.29 2wba s GLN 310 CO 0.28 -0.43 -0.06 0.14 -0.55 0.00 0.00 175.29 174.66 2wba s VAL 311 N 1.76 0.59 0.69 1.34 -7.23 -1.26 -4.40 120.40 111.89 2wba s VAL 311 Ca 0.61 -1.81 -0.04 0.00 -1.81 0.00 0.00 61.98 58.92 2wba s VAL 311 Cb -0.30 -1.53 0.14 0.00 0.56 0.00 0.00 36.38 35.25 2wba s VAL 311 CO 0.27 -0.84 0.94 -0.90 -0.31 0.00 0.00 175.10 174.26 2wba n ASP 312 N 0.16 0.84 0.05 4.85 5.68 -0.83 -4.89 116.55 122.40 2wba n ASP 312 Ca -0.14 -1.81 0.06 0.00 -0.50 0.00 0.00 54.79 52.40 2wba n ASP 312 Cb 0.60 -0.65 0.28 0.00 -1.14 0.00 0.00 41.12 40.21 2wba n ASP 312 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2wba n GLU 313 N -2.83 0.06 -0.55 0.11 0.00 -1.26 -0.83 120.64 115.35 2wba n GLU 313 Ca 0.14 0.45 0.09 0.00 0.00 0.00 0.00 57.16 57.84 2wba n GLU 313 Cb 0.50 -1.65 0.32 0.00 0.00 0.00 0.00 31.44 30.61 2wba n GLU 313 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2wba n PHE 314 N -1.77 1.31 -1.59 -1.84 3.01 -1.26 -4.36 117.46 110.95 2wba n PHE 314 Ca 0.01 -0.63 -0.11 0.00 1.01 0.00 0.00 57.45 57.72 2wba n PHE 314 Cb 0.08 -0.23 -0.04 0.00 -0.01 0.00 0.00 39.48 39.29 2wba n PHE 314 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2wba n SER 315 N 0.85 -4.18 -4.76 4.37 7.64 -0.01 -4.82 113.62 112.71 2wba n SER 315 Ca 0.24 0.20 -0.39 0.00 1.01 0.00 0.00 58.87 59.93 2wba n SER 315 Cb 0.84 -2.90 -0.06 0.00 -1.01 0.00 0.00 64.21 61.08 2wba n SER 315 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2wba s ARG 316 N -3.43 4.29 0.67 1.43 0.52 -1.26 -1.85 118.95 119.32 2wba s ARG 316 Ca 0.00 0.66 -0.09 0.00 -0.52 0.00 0.00 55.73 55.78 2wba s ARG 316 Cb 0.00 -3.35 0.15 0.00 0.52 0.00 0.00 34.95 32.27 2wba s ARG 316 CO 0.00 0.35 0.92 0.25 0.02 0.00 0.00 175.30 176.83 2wba n THR 317 N 2.86 0.00 0.63 0.02 -2.24 -1.10 -1.97 114.28 112.48 2wba n THR 317 Ca -0.07 -0.87 0.08 0.00 -2.27 0.00 0.00 64.05 60.92 2wba n THR 317 Cb 0.51 -1.45 0.36 0.00 -2.10 0.00 0.00 70.33 67.66 2wba n THR 317 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2wba n ASN 318 N -3.43 0.00 -4.36 3.42 6.94 -1.26 -4.57 115.26 112.01 2wba n ASN 318 Ca 0.12 0.31 -0.35 0.00 -0.02 0.00 0.00 54.58 54.64 2wba n ASN 318 Cb 0.43 -0.41 -0.14 0.00 -2.36 0.00 0.00 39.78 37.31 2wba n ASN 318 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2wba s VAL 319 N -2.82 3.62 0.27 3.53 1.01 -1.26 -5.04 120.40 119.71 2wba s VAL 319 Ca 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.68 2wba s VAL 319 Cb 0.10 -2.65 0.26 0.00 0.00 0.00 0.00 36.38 34.09 2wba s VAL 319 CO 0.27 0.41 1.75 -0.65 0.00 0.00 0.00 175.10 176.88 2wba h PRO 320 N 7.97 0.56 -0.62 2.72 0.11 -2.01 -1.50 132.00 139.23 2wba h PRO 320 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2wba h PRO 320 Cb 1.17 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2wba h PRO 320 CO 0.60 0.37 0.00 0.09 -0.21 0.00 0.00 178.00 178.85 2wba n ASN 321 N -4.91 4.58 -4.27 -2.05 3.02 -1.26 -4.88 115.26 105.49 2wba n ASN 321 Ca 0.18 -2.42 -0.33 0.00 -0.03 0.00 0.00 54.58 51.99 2wba n ASN 321 Cb 0.49 -0.55 -0.16 0.00 -0.61 0.00 0.00 39.78 38.95 2wba n ASN 321 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wba s ILE 322 N -1.79 2.50 0.24 2.41 1.01 -0.57 -0.56 121.20 124.45 2wba s ILE 322 Ca 0.49 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 60.35 2wba s ILE 322 Cb 0.31 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.71 2wba s ILE 322 CO 0.24 0.54 -0.07 -0.31 0.00 0.00 0.00 174.94 175.34 2wba s TYR 323 N 0.50 1.77 -0.07 3.97 2.02 0.03 -2.70 117.35 122.87 2wba s TYR 323 Ca -0.12 -0.73 -0.05 0.00 -0.37 0.00 0.00 57.07 55.80 2wba s TYR 323 Cb -0.16 -0.97 0.02 0.00 -0.40 0.00 0.00 41.96 40.45 2wba s TYR 323 CO 0.05 0.21 0.17 0.00 -1.57 0.00 0.00 175.55 174.41 2wba s ALA 324 N -3.11 -0.40 0.14 3.71 0.00 -0.77 -0.36 121.76 120.97 2wba s ALA 324 Ca 0.27 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 52.77 2wba s ALA 324 Cb 0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 2wba s ALA 324 CO 0.09 -0.10 0.09 0.96 0.00 0.00 0.00 175.76 176.80 2wba s ILE 325 N 0.39 0.08 0.00 0.00 -4.36 -0.94 -4.68 121.20 111.70 2wba s ILE 325 Ca -0.03 -1.87 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 2wba s ILE 325 Cb -0.04 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.59 2wba s ILE 325 CO -0.02 -0.38 0.00 0.61 0.24 0.00 0.00 174.94 175.39 2wba n GLY 326 N -0.13 -1.01 0.33 6.27 0.00 -1.26 -4.02 105.19 105.37 2wba n GLY 326 Ca -0.05 -1.22 0.16 0.00 0.00 0.00 0.00 46.02 44.92 2wba n GLY 326 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wba h ASP 327 N 2.38 0.00 0.00 1.61 5.19 -1.87 -1.49 116.42 122.24 2wba h ASP 327 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2wba h ASP 327 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2wba h ASP 327 CO 0.00 0.00 0.00 -0.29 -3.12 0.00 0.00 179.24 175.83 2wba h ILE 328 N 0.00 0.00 -0.01 0.35 2.10 -1.69 -0.31 117.51 117.95 2wba h ILE 328 Ca 0.12 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.06 2wba h ILE 328 Cb 0.54 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 37.23 2wba h ILE 328 CO -0.00 0.00 -0.20 0.35 -1.08 0.00 0.00 178.15 177.22 2wba n THR 329 N -3.02 0.00 -3.46 2.19 -2.24 -0.56 -1.57 114.28 105.61 2wba n THR 329 Ca -0.03 -0.21 -0.25 0.00 -2.27 0.00 0.00 64.05 61.29 2wba n THR 329 Cb 0.07 0.65 0.02 0.00 -2.10 0.00 0.00 70.33 68.97 2wba n THR 329 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wba n ASP 330 N -0.16 -4.97 0.00 3.42 2.03 -0.13 -4.71 116.55 112.04 2wba n ASP 330 Ca 0.14 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.95 2wba n ASP 330 Cb 0.39 -4.01 0.00 0.00 -0.72 0.00 0.00 41.12 36.78 2wba n ASP 330 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2wba n ARG 331 N -4.22 0.00 -3.33 -0.67 1.74 -1.26 -4.99 116.66 103.92 2wba n ARG 331 Ca -0.02 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.63 2wba n ARG 331 Cb 0.56 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.92 2wba n ARG 331 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2wba s LEU 332 N 0.00 5.08 -1.34 0.55 2.96 -1.26 -5.00 118.68 119.67 2wba s LEU 332 Ca 0.00 -0.88 -0.13 0.00 -0.22 0.00 0.00 54.13 52.90 2wba s LEU 332 Cb 0.00 -2.32 0.10 0.00 0.50 0.00 0.00 46.19 44.48 2wba s LEU 332 CO 0.00 -0.63 1.94 0.23 -1.32 0.00 0.00 176.35 176.57 2wba n MET 333 N 5.54 3.23 -4.32 1.98 2.81 -1.26 -4.74 117.12 120.36 2wba n MET 333 Ca -0.09 -3.18 -0.18 0.00 -1.81 0.00 0.00 57.70 52.44 2wba n MET 333 Cb 0.46 -3.16 -0.14 0.00 -0.71 0.00 0.00 33.22 29.67 2wba n MET 333 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2wba s LEU 334 N 1.61 2.10 0.12 4.03 1.43 -1.26 -5.06 118.68 121.65 2wba s LEU 334 Ca 0.45 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 53.03 2wba s LEU 334 Cb 0.09 -0.47 -0.05 0.00 0.03 0.00 0.00 46.19 45.79 2wba s LEU 334 CO -0.02 0.04 1.70 0.74 0.23 0.00 0.00 176.35 179.05 2wba h THR 335 N 4.74 0.79 0.00 5.49 2.02 -2.00 -1.89 112.91 122.06 2wba h THR 335 Ca -0.34 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.79 2wba h THR 335 Cb 1.18 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2wba h THR 335 CO 0.47 0.00 -0.27 -0.65 0.37 0.00 0.00 175.52 175.44 2wba h PRO 336 N -0.06 0.00 -0.07 6.66 0.11 -1.98 -0.20 132.00 136.46 2wba h PRO 336 Ca 0.07 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 2wba h PRO 336 Cb 0.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 2wba h PRO 336 CO -0.16 0.27 0.00 0.28 -0.21 0.00 0.00 178.00 178.18 2wba h VAL 337 N 0.00 1.24 -0.95 3.15 2.07 -1.86 -1.04 116.25 118.87 2wba h VAL 337 Ca -0.00 -0.75 0.09 0.00 0.82 0.00 0.00 66.70 66.86 2wba h VAL 337 Cb 0.53 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.83 2wba h VAL 337 CO 0.03 0.21 0.59 0.00 0.02 0.00 0.00 177.57 178.43 2wba h ALA 338 N 0.74 1.35 -0.21 1.67 0.00 -0.78 0.88 119.26 122.91 2wba h ALA 338 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2wba h ALA 338 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2wba h ALA 338 CO 0.00 0.30 0.06 0.82 0.00 0.00 0.00 179.25 180.43 2wba h ILE 339 N 1.03 1.19 -0.81 0.00 2.04 -1.00 -1.69 117.51 118.27 2wba h ILE 339 Ca 0.44 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 2wba h ILE 339 Cb 0.29 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 2wba h ILE 339 CO -0.21 0.19 0.35 -1.13 0.00 0.00 0.00 178.15 177.34 2wba h ASN 340 N 0.17 1.11 -0.73 1.72 -0.73 -0.59 -1.70 115.58 114.83 2wba h ASN 340 Ca 0.07 -0.16 -0.01 0.00 1.87 0.00 0.00 56.30 58.06 2wba h ASN 340 Cb 0.24 -0.29 -0.03 0.00 0.27 0.00 0.00 38.32 38.51 2wba h ASN 340 CO -0.00 0.96 0.40 -0.33 -0.37 0.00 0.00 177.43 178.09 2wba h GLU 341 N 1.18 1.01 -0.48 6.67 5.08 -0.76 -1.89 114.58 125.39 2wba h GLU 341 Ca 0.27 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2wba h GLU 341 Cb 0.19 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2wba h GLU 341 CO -0.03 0.75 0.27 0.78 -1.00 0.00 0.00 179.01 179.79 2wba h GLY 342 N 1.00 0.71 1.06 -3.84 0.00 -0.77 -1.19 103.07 100.04 2wba h GLY 342 Ca 0.26 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 47.18 2wba h GLY 342 CO -0.04 0.30 -0.00 0.00 0.00 0.00 0.00 176.54 176.80 2wba h ALA 343 N 1.12 0.76 -0.42 3.60 0.00 -1.24 -2.70 119.26 120.38 2wba h ALA 343 Ca 0.17 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2wba h ALA 343 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2wba h ALA 343 CO -0.03 0.60 -0.12 0.00 0.00 0.00 0.00 179.25 179.70 2wba h ALA 344 N 0.97 0.58 -0.85 0.00 0.00 -1.19 -2.01 119.26 116.75 2wba h ALA 344 Ca 0.16 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2wba h ALA 344 Cb 0.55 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2wba h ALA 344 CO 0.03 0.47 0.54 1.25 0.00 0.00 0.00 179.25 181.54 2wba h LEU 345 N 0.64 0.88 -0.15 0.00 7.12 -1.20 -1.39 115.31 121.20 2wba h LEU 345 Ca 0.10 0.00 -0.16 0.00 0.13 0.00 0.00 57.88 57.95 2wba h LEU 345 Cb 0.65 -0.18 0.01 0.00 -0.53 0.00 0.00 40.66 40.60 2wba h LEU 345 CO 0.04 0.59 -0.55 0.58 -0.13 0.00 0.00 178.44 178.97 2wba h VAL 346 N 1.02 1.33 -0.80 1.05 2.07 -1.27 -0.35 116.25 119.30 2wba h VAL 346 Ca 0.35 -1.81 0.07 0.00 0.82 0.00 0.00 66.70 66.14 2wba h VAL 346 Cb 0.08 2.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 2wba h VAL 346 CO -0.14 0.56 0.48 0.44 0.02 0.00 0.00 177.57 178.93 2wba h ASP 347 N 0.31 0.74 0.39 0.57 3.32 -1.28 0.12 116.42 120.59 2wba h ASP 347 Ca -0.03 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2wba h ASP 347 Cb 1.18 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2wba h ASP 347 CO 0.12 0.46 -0.19 0.74 -1.72 0.00 0.00 179.24 178.65 2wba h THR 348 N 0.87 0.61 -0.20 0.35 2.02 -1.03 0.02 112.91 115.55 2wba h THR 348 Ca 0.36 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 2wba h THR 348 Cb 0.21 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2wba h THR 348 CO -0.19 0.07 -0.28 0.58 0.37 0.00 0.00 175.52 176.07 2wba h VAL 349 N -0.73 1.33 0.00 3.16 2.07 -0.97 -2.70 116.25 118.41 2wba h VAL 349 Ca -0.05 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 65.97 2wba h VAL 349 Cb 0.51 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2wba h VAL 349 CO 0.09 0.46 -1.42 0.49 0.02 0.00 0.00 177.57 177.20 2wba n PHE 350 N -4.36 0.00 1.00 1.57 3.72 0.42 -4.31 117.46 115.50 2wba n PHE 350 Ca -0.06 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.45 2wba n PHE 350 Cb 0.46 -0.25 -0.04 0.00 -0.94 0.00 0.00 39.48 38.71 2wba n PHE 350 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wba n GLY 351 N 1.56 -0.98 2.63 1.37 0.00 -0.05 -4.98 105.19 104.74 2wba n GLY 351 Ca -0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 2wba n GLY 351 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wba n ASN 352 N -1.41 -3.10 -3.80 1.61 3.02 -0.93 -4.93 115.26 105.73 2wba n ASN 352 Ca 0.05 0.16 -0.30 0.00 -0.03 0.00 0.00 54.58 54.46 2wba n ASN 352 Cb 0.34 -2.66 -0.14 0.00 -0.61 0.00 0.00 39.78 36.72 2wba n ASN 352 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2wba s LYS 353 N -5.21 1.44 0.23 3.52 -2.85 -1.19 -5.03 119.74 110.65 2wba s LYS 353 Ca 0.07 -2.09 -0.31 0.00 -1.00 0.00 0.00 55.97 52.64 2wba s LYS 353 Cb -0.04 -2.63 -0.14 0.00 -2.06 0.00 0.00 37.83 32.97 2wba s LYS 353 CO 0.09 -1.12 1.35 -2.30 0.10 0.00 0.00 175.35 173.47 2wba n PRO 354 N 3.57 1.86 -3.95 1.78 -0.02 -1.26 -4.09 135.00 132.89 2wba n PRO 354 Ca 0.06 0.66 -0.13 0.00 -2.02 0.00 0.00 63.50 62.08 2wba n PRO 354 Cb 0.35 -2.28 -0.14 0.00 -0.02 0.00 0.00 33.50 31.41 2wba n PRO 354 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2wba s ARG 355 N -0.47 0.15 0.08 -0.52 3.00 -1.26 -4.94 118.95 114.99 2wba s ARG 355 Ca 0.68 -0.14 0.04 0.00 -1.00 0.00 0.00 55.73 55.32 2wba s ARG 355 Cb -0.68 -0.09 -0.03 0.00 0.00 0.00 0.00 34.95 34.15 2wba s ARG 355 CO 0.51 0.02 -0.12 -1.59 0.00 0.00 0.00 175.30 174.12 2wba s LYS 356 N -0.26 0.79 0.03 5.12 -2.85 -1.26 -4.51 119.74 116.80 2wba s LYS 356 Ca -0.02 -0.99 -0.29 0.00 -1.00 0.00 0.00 55.97 53.66 2wba s LYS 356 Cb -0.02 -0.67 -0.04 0.00 -2.06 0.00 0.00 37.83 35.04 2wba s LYS 356 CO -0.00 0.13 0.95 0.99 0.10 0.00 0.00 175.35 177.52 2wba s THR 357 N -1.65 4.77 -0.38 3.79 2.01 -1.26 -5.03 115.64 117.90 2wba s THR 357 Ca -0.01 2.01 -0.23 0.00 0.31 0.00 0.00 61.69 63.77 2wba s THR 357 Cb -0.08 -4.30 0.01 0.00 0.01 0.00 0.00 72.50 68.15 2wba s THR 357 CO 0.01 0.22 0.78 -0.62 -0.69 0.00 0.00 174.62 174.33 2wba s ASP 358 N 0.67 6.52 0.00 3.53 -1.08 -1.26 -4.93 116.67 120.13 2wba s ASP 358 Ca 0.49 0.26 0.26 0.00 -0.52 0.00 0.00 52.55 53.04 2wba s ASP 358 Cb -0.21 -2.39 0.99 0.00 -1.46 0.00 0.00 42.92 39.84 2wba s ASP 358 CO 0.28 -0.77 1.70 1.41 0.52 0.00 0.00 175.17 178.31 2wba n HIS 359 N 6.48 0.06 -3.40 -5.34 8.25 -1.26 -4.82 115.22 115.19 2wba n HIS 359 Ca 0.03 -0.03 -0.28 0.00 -0.26 0.00 0.00 57.72 57.17 2wba n HIS 359 Cb 0.48 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.56 2wba n HIS 359 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2wba s THR 360 N -1.94 5.05 -1.40 1.59 -4.23 -1.26 -4.46 115.64 108.99 2wba s THR 360 Ca 0.37 -0.01 -0.07 0.00 -1.18 0.00 0.00 61.69 60.80 2wba s THR 360 Cb 0.20 -3.73 0.04 0.00 1.34 0.00 0.00 72.50 70.35 2wba s THR 360 CO 0.31 -0.29 0.53 0.54 -0.54 0.00 0.00 174.62 175.18 2wba n ARG 361 N -0.87 -4.08 -2.98 3.99 3.00 -1.26 -4.94 116.66 109.52 2wba n ARG 361 Ca -0.02 0.68 -0.41 0.00 -0.01 0.00 0.00 57.85 58.09 2wba n ARG 361 Cb 0.54 -5.46 -0.05 0.00 0.00 0.00 0.00 32.46 27.49 2wba n ARG 361 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2wba s VAL 362 N -3.04 4.94 0.35 1.55 1.01 -1.26 -4.69 120.40 119.26 2wba s VAL 362 Ca 0.35 1.46 -0.26 0.00 0.00 0.00 0.00 61.98 63.53 2wba s VAL 362 Cb -0.17 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 2wba s VAL 362 CO 0.43 0.07 1.09 0.00 0.00 0.00 0.00 175.10 176.69 2wba s ALA 363 N 1.96 3.22 0.23 5.51 0.00 -1.26 -4.33 121.76 127.09 2wba s ALA 363 Ca 0.35 0.83 -0.15 0.00 0.00 0.00 0.00 51.96 52.99 2wba s ALA 363 Cb -0.16 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.65 2wba s ALA 363 CO 0.12 -0.26 0.50 -1.54 0.00 0.00 0.00 175.76 174.58 2wba s SER 364 N -1.21 -0.15 0.08 0.00 1.04 0.13 -5.01 113.70 108.59 2wba s SER 364 Ca 0.53 -0.76 0.03 0.00 0.48 0.00 0.00 55.95 56.22 2wba s SER 364 Cb -0.28 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 2wba s SER 364 CO 0.35 -1.12 -0.09 0.00 0.98 0.00 0.00 173.24 173.36 2wba s ALA 365 N -3.96 0.94 -0.17 5.32 0.00 -1.26 -0.79 121.76 121.84 2wba s ALA 365 Ca 0.17 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 51.01 2wba s ALA 365 Cb -0.01 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.18 2wba s ALA 365 CO 0.05 -0.09 -0.17 0.08 0.00 0.00 0.00 175.76 175.63 2wba s VAL 366 N -2.49 2.42 -0.30 0.00 1.01 -0.53 -4.99 120.40 115.51 2wba s VAL 366 Ca 0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 2wba s VAL 366 Cb -0.02 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.34 2wba s VAL 366 CO -0.01 0.52 2.82 0.49 0.00 0.00 0.00 175.10 178.92 2wba n PHE 367 N 4.32 1.14 -1.13 5.22 3.72 -1.26 -1.11 117.46 128.36 2wba n PHE 367 Ca -0.20 -1.80 -0.30 0.00 -0.05 0.00 0.00 57.45 55.11 2wba n PHE 367 Cb 0.51 -1.33 0.22 0.00 -0.94 0.00 0.00 39.48 37.94 2wba n PHE 367 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2wba s SER 368 N 0.79 1.50 -0.28 4.37 1.04 -1.26 -4.79 113.70 115.07 2wba s SER 368 Ca 0.54 0.80 0.02 0.00 0.48 0.00 0.00 55.95 57.79 2wba s SER 368 Cb 0.33 -1.18 0.08 0.00 0.10 0.00 0.00 66.02 65.34 2wba s SER 368 CO -0.13 -3.78 -0.03 -0.63 0.98 0.00 0.00 173.24 169.65 2wba s ILE 369 N -3.01 1.90 0.72 -1.02 1.01 -1.26 -1.81 121.20 117.73 2wba s ILE 369 Ca 0.69 -1.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 2wba s ILE 369 Cb -0.13 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 40.17 2wba s ILE 369 CO 0.56 -0.27 1.10 -2.84 0.00 0.00 0.00 174.94 173.49 2wba s PRO 370 N 1.18 2.75 0.56 2.79 0.02 -1.26 -4.68 135.00 136.35 2wba s PRO 370 Ca -0.01 0.48 -0.14 0.00 0.02 0.00 0.00 61.00 61.35 2wba s PRO 370 Cb -0.19 -2.01 -0.06 0.00 0.02 0.00 0.00 34.50 32.26 2wba s PRO 370 CO -0.08 -1.12 1.00 -1.25 -0.33 0.00 0.00 177.00 175.22 2wba s PRO 371 N -5.34 3.79 -0.09 5.54 0.04 -0.75 -4.69 135.00 133.50 2wba s PRO 371 Ca 0.59 0.85 -0.02 0.00 0.04 0.00 0.00 61.00 62.45 2wba s PRO 371 Cb -0.11 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 2wba s PRO 371 CO 0.52 -0.40 0.01 0.42 0.04 0.00 0.00 177.00 177.59 2wba s ILE 372 N -2.87 4.37 -0.07 0.56 1.01 -0.27 -0.74 121.20 123.19 2wba s ILE 372 Ca 0.57 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 61.02 2wba s ILE 372 Cb -0.10 -2.85 0.01 0.00 0.01 0.00 0.00 42.46 39.53 2wba s ILE 372 CO 0.41 0.60 -0.13 -0.83 0.00 0.00 0.00 174.94 174.99 2wba s GLY 373 N -0.82 0.86 -0.01 6.18 0.00 -0.13 -1.45 107.32 111.95 2wba s GLY 373 Ca 0.13 -0.49 -0.03 0.00 0.00 0.00 0.00 44.72 44.32 2wba s GLY 373 CO 0.02 0.13 0.06 -1.08 0.00 0.00 0.00 173.10 172.23 2wba s THR 374 N 0.72 0.05 -0.12 0.90 -1.32 0.03 -0.19 115.64 115.71 2wba s THR 374 Ca -0.13 -0.44 -0.06 0.00 -1.21 0.00 0.00 61.69 59.84 2wba s THR 374 Cb -0.16 -0.23 0.05 0.00 -1.51 0.00 0.00 72.50 70.65 2wba s THR 374 CO 0.03 -0.24 0.28 0.00 -2.21 0.00 0.00 174.62 172.48 2wba n GLY 376 N 4.38 -1.35 3.80 0.00 0.00 -1.26 -0.44 105.19 110.32 2wba n GLY 376 Ca -0.23 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 2wba n GLY 376 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wba s LEU 377 N 0.00 4.47 0.60 0.99 1.43 -0.26 -4.82 118.68 121.10 2wba s LEU 377 Ca 0.00 1.42 -0.13 0.00 -1.03 0.00 0.00 54.13 54.40 2wba s LEU 377 Cb 0.00 -3.28 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 2wba s LEU 377 CO 0.00 0.16 1.02 0.27 0.23 0.00 0.00 176.35 178.03 2wba s ILE 378 N -1.29 4.56 0.31 -0.59 -4.36 -1.26 -3.97 121.20 114.60 2wba s ILE 378 Ca 0.36 0.94 0.02 0.00 -0.26 0.00 0.00 60.65 61.72 2wba s ILE 378 Cb -0.19 -3.77 0.15 0.00 1.25 0.00 0.00 42.46 39.90 2wba s ILE 378 CO 0.22 -0.98 1.84 1.05 0.24 0.00 0.00 174.94 177.31 2wba h GLU 379 N -0.01 0.64 -0.27 0.37 4.11 -1.98 -1.63 114.58 115.81 2wba h GLU 379 Ca -0.45 -0.14 -0.06 0.00 0.07 0.00 0.00 59.36 58.78 2wba h GLU 379 Cb 1.19 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2wba h GLU 379 CO 0.61 0.65 -0.09 0.93 0.07 0.00 0.00 179.01 181.18 2wba h GLU 380 N 0.61 0.43 -0.05 1.06 3.07 -1.98 0.35 114.58 118.07 2wba h GLU 380 Ca 0.13 -0.11 -0.18 0.00 -0.50 0.00 0.00 59.36 58.71 2wba h GLU 380 Cb 0.35 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.22 2wba h GLU 380 CO 0.01 0.53 -0.65 0.28 -1.40 0.00 0.00 179.01 177.78 2wba h VAL 381 N 0.41 1.37 -0.50 3.13 2.07 -1.77 -3.27 116.25 117.69 2wba h VAL 381 Ca 0.08 -2.01 -0.04 0.00 0.82 0.00 0.00 66.70 65.55 2wba h VAL 381 Cb 0.41 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 2wba h VAL 381 CO 0.02 0.60 0.15 0.00 0.02 0.00 0.00 177.57 178.37 2wba h ALA 382 N 0.40 1.33 0.00 1.67 0.00 -1.03 -2.34 119.26 119.29 2wba h ALA 382 Ca -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2wba h ALA 382 Cb 1.33 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2wba h ALA 382 CO 0.13 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.87 2wba n ALA 383 N -2.46 1.46 -0.05 0.00 0.00 0.09 -0.89 120.51 118.65 2wba n ALA 383 Ca 0.04 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 2wba n ALA 383 Cb 0.19 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.21 2wba n ALA 383 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wba n LYS 384 N -1.95 0.67 0.04 0.00 4.01 -0.89 -3.69 118.16 116.35 2wba n LYS 384 Ca 0.02 0.18 -0.04 0.00 -0.51 0.00 0.00 58.31 57.96 2wba n LYS 384 Cb 0.15 -1.66 -0.09 0.00 -0.51 0.00 0.00 35.03 32.91 2wba n LYS 384 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 2wba h GLU 385 N 0.01 0.00 -6.33 1.97 4.81 -1.32 -3.47 114.58 110.25 2wba h GLU 385 Ca -0.42 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.20 2wba h GLU 385 Cb 2.08 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 31.22 2wba h GLU 385 CO 0.05 0.51 -0.85 -0.06 -0.73 0.00 0.00 179.01 177.93 2wba s PHE 386 N -2.79 1.95 0.03 0.92 0.40 -0.07 -5.06 117.98 113.36 2wba s PHE 386 Ca -0.02 -0.40 -0.20 0.00 -0.60 0.00 0.00 56.93 55.72 2wba s PHE 386 Cb 0.09 -1.11 -0.18 0.00 0.51 0.00 0.00 43.02 42.33 2wba s PHE 386 CO 0.81 0.18 1.23 1.49 0.70 0.00 0.00 175.22 179.62 2wba h GLU 387 N 4.39 0.42 -4.25 0.44 4.81 -1.87 -3.42 114.58 115.11 2wba h GLU 387 Ca -0.46 -0.32 -0.55 0.00 -0.13 0.00 0.00 59.36 57.90 2wba h GLU 387 Cb 1.17 0.06 -0.37 0.00 0.63 0.00 0.00 28.75 30.24 2wba h GLU 387 CO 0.41 0.95 -0.80 -1.59 -0.73 0.00 0.00 179.01 177.25 2wba s LYS 388 N -3.75 1.57 -0.02 1.92 -2.85 -1.26 -0.76 119.74 114.59 2wba s LYS 388 Ca -0.14 -0.41 0.06 0.00 -1.00 0.00 0.00 55.97 54.48 2wba s LYS 388 Cb 0.05 -1.84 -0.02 0.00 -2.06 0.00 0.00 37.83 33.95 2wba s LYS 388 CO 0.79 -0.34 -0.20 0.14 0.10 0.00 0.00 175.35 175.85 2wba s VAL 389 N 1.65 2.61 0.00 1.79 -7.23 -0.40 -0.99 120.40 117.83 2wba s VAL 389 Ca 0.03 -0.97 0.02 0.00 -1.81 0.00 0.00 61.98 59.25 2wba s VAL 389 Cb -0.14 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 2wba s VAL 389 CO -0.08 0.54 -0.00 0.00 -0.31 0.00 0.00 175.10 175.24 2wba s ALA 390 N -0.72 3.27 -0.17 1.32 0.00 -0.79 -0.73 121.76 123.93 2wba s ALA 390 Ca 0.11 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.12 2wba s ALA 390 Cb -0.10 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.70 2wba s ALA 390 CO 0.01 0.65 -0.18 0.08 0.00 0.00 0.00 175.76 176.31 2wba s VAL 391 N -1.08 2.25 -0.26 0.00 1.01 -0.49 -1.18 120.40 120.65 2wba s VAL 391 Ca 0.19 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 2wba s VAL 391 Cb -0.11 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 2wba s VAL 391 CO 0.10 0.53 0.15 -0.31 0.00 0.00 0.00 175.10 175.57 2wba s TYR 392 N 1.16 3.22 -0.04 5.22 1.51 0.36 -0.29 117.35 128.49 2wba s TYR 392 Ca 0.02 0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.13 2wba s TYR 392 Cb -0.14 -2.30 0.01 0.00 -0.11 0.00 0.00 41.96 39.42 2wba s TYR 392 CO -0.09 -0.12 -0.11 1.41 -1.11 0.00 0.00 175.55 175.54 2wba s MET 393 N 1.44 1.28 -0.05 -0.62 1.75 -1.26 -0.60 119.30 121.23 2wba s MET 393 Ca 0.07 -0.36 0.00 0.00 -1.25 0.00 0.00 55.69 54.15 2wba s MET 393 Cb -0.15 -1.14 0.02 0.00 2.84 0.00 0.00 34.83 36.41 2wba s MET 393 CO 0.07 0.09 -0.03 0.45 -0.65 0.00 0.00 175.02 174.95 2wba s SER 394 N 0.36 1.08 -0.22 1.11 0.15 -0.14 -4.92 113.70 111.12 2wba s SER 394 Ca -0.07 -0.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.43 2wba s SER 394 Cb -0.12 -0.43 0.10 0.00 -1.71 0.00 0.00 66.02 63.86 2wba s SER 394 CO 0.02 -0.09 0.22 -0.55 1.20 0.00 0.00 173.24 174.04 2wba s SER 395 N 1.19 1.53 0.09 5.45 0.15 -1.26 -0.68 113.70 120.16 2wba s SER 395 Ca -0.07 -0.34 -0.25 0.00 0.70 0.00 0.00 55.95 56.00 2wba s SER 395 Cb -0.14 0.35 0.07 0.00 -1.71 0.00 0.00 66.02 64.59 2wba s SER 395 CO -0.02 -0.34 0.61 0.72 1.20 0.00 0.00 173.24 175.41 2wba s PHE 396 N 2.32 -0.55 -0.13 3.44 -0.71 -1.00 -4.95 117.98 116.40 2wba s PHE 396 Ca 0.07 0.55 -0.29 0.00 -1.04 0.00 0.00 56.93 56.22 2wba s PHE 396 Cb -0.16 0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 42.11 2wba s PHE 396 CO -0.15 -0.76 1.46 0.99 -1.34 0.00 0.00 175.22 175.42 2wba s THR 397 N -2.90 3.94 0.61 -4.49 2.01 -1.26 -1.30 115.64 112.25 2wba s THR 397 Ca -0.03 1.12 -0.18 0.00 0.31 0.00 0.00 61.69 62.91 2wba s THR 397 Cb -0.01 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 2wba s THR 397 CO -0.05 -0.14 1.22 -2.84 -0.69 0.00 0.00 174.62 172.12 2wba s PRO 398 N 3.87 2.84 0.25 4.92 0.02 -1.26 -4.86 135.00 140.79 2wba s PRO 398 Ca 0.64 1.87 -0.05 0.00 0.02 0.00 0.00 61.00 63.48 2wba s PRO 398 Cb -0.26 -1.91 0.49 0.00 0.02 0.00 0.00 34.50 32.84 2wba s PRO 398 CO 0.22 -1.32 1.65 1.25 -0.33 0.00 0.00 177.00 178.48 2wba h LEU 399 N 0.75 -0.19 -1.85 -5.54 5.85 -1.99 -0.98 115.31 111.35 2wba h LEU 399 Ca -0.50 0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.44 2wba h LEU 399 Cb 1.31 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 2wba h LEU 399 CO 0.54 -0.14 0.19 0.00 -0.34 0.00 0.00 178.44 178.69 2wba h MET 400 N 0.16 0.18 0.00 1.25 -0.00 -2.00 -0.83 114.93 113.69 2wba h MET 400 Ca 0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 60.13 2wba h MET 400 Cb 0.79 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.35 2wba h MET 400 CO -0.62 0.12 -0.24 0.72 -0.00 0.00 0.00 176.91 176.89 2wba n HIS 401 N -4.49 0.62 0.09 -0.10 8.25 -0.38 -0.63 115.22 118.58 2wba n HIS 401 Ca 0.02 0.18 -0.07 0.00 -0.26 0.00 0.00 57.72 57.59 2wba n HIS 401 Cb 0.21 -0.74 0.04 0.00 1.12 0.00 0.00 29.99 30.62 2wba n HIS 401 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 2wba h ASN 402 N 0.00 0.24 0.27 0.41 2.35 -1.08 -2.45 115.58 115.33 2wba h ASN 402 Ca 0.00 -0.18 -0.33 0.00 -0.55 0.00 0.00 56.30 55.24 2wba h ASN 402 Cb 0.69 -0.07 0.04 0.00 0.05 0.00 0.00 38.32 39.03 2wba h ASN 402 CO 0.00 0.93 -1.45 0.40 -1.65 0.00 0.00 177.43 175.66 2wba h ILE 403 N 0.12 1.30 0.00 2.81 2.04 -1.27 -3.32 117.51 119.18 2wba h ILE 403 Ca -0.03 -2.70 -0.04 0.00 1.00 0.00 0.00 64.86 63.09 2wba h ILE 403 Cb 1.37 3.01 -0.01 0.00 -0.74 0.00 0.00 36.82 40.45 2wba h ILE 403 CO 0.12 0.81 -0.18 0.77 0.00 0.00 0.00 178.15 179.67 2wba h SER 404 N 0.16 0.00 0.00 1.72 4.64 -0.97 -3.39 113.55 115.71 2wba h SER 404 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2wba h SER 404 Cb 2.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.23 2wba h SER 404 CO 0.27 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 2wba n GLY 405 N -0.91 0.44 2.75 -0.77 0.00 -1.16 -4.46 105.19 101.09 2wba n GLY 405 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2wba n GLY 405 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wba n SER 406 N 0.00 6.89 0.17 1.61 7.64 -0.93 -4.79 113.62 124.21 2wba n SER 406 Ca 0.00 -3.42 0.13 0.00 1.01 0.00 0.00 58.87 56.60 2wba n SER 406 Cb 0.00 -1.28 0.57 0.00 -1.01 0.00 0.00 64.21 62.49 2wba n SER 406 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2wba h LYS 407 N 4.88 0.00 0.00 1.43 1.57 -1.89 -1.82 116.57 120.74 2wba h LYS 407 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 2wba h LYS 407 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2wba h LYS 407 CO 1.35 0.00 0.00 2.48 -0.57 0.00 0.00 179.45 182.71 2wba n TYR 408 N -2.44 0.53 -1.56 -1.35 4.11 -1.26 -4.50 117.16 110.69 2wba n TYR 408 Ca 0.01 0.18 -0.41 0.00 -0.00 0.00 0.00 57.90 57.68 2wba n TYR 408 Cb 0.21 -0.79 -0.01 0.00 -0.00 0.00 0.00 39.34 38.75 2wba n TYR 408 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2wba n LYS 409 N -1.96 2.75 -2.16 -3.48 5.02 -0.68 -4.82 118.16 112.82 2wba n LYS 409 Ca 0.04 -2.40 -0.42 0.00 -2.02 0.00 0.00 58.31 53.51 2wba n LYS 409 Cb 0.30 -3.14 -0.03 0.00 -0.02 0.00 0.00 35.03 32.14 2wba n LYS 409 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2wba s LYS 410 N 3.33 4.29 -0.05 1.97 1.02 -1.26 -4.28 119.74 124.75 2wba s LYS 410 Ca 0.51 2.06 -0.27 0.00 0.02 0.00 0.00 55.97 58.30 2wba s LYS 410 Cb 0.14 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.99 2wba s LYS 410 CO -0.05 -0.54 0.85 0.12 -0.92 0.00 0.00 175.35 174.81 2wba s PHE 411 N 1.86 3.59 -0.15 3.18 5.36 -0.42 -4.73 117.98 126.67 2wba s PHE 411 Ca 0.66 1.46 -0.01 0.00 -0.96 0.00 0.00 56.93 58.08 2wba s PHE 411 Cb -0.35 -2.98 -0.01 0.00 -0.34 0.00 0.00 43.02 39.34 2wba s PHE 411 CO 0.29 -0.00 -0.12 0.08 -1.46 0.00 0.00 175.22 174.01 2wba s VAL 412 N 1.09 3.06 -0.10 3.12 1.01 -0.22 -2.36 120.40 126.00 2wba s VAL 412 Ca 0.44 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2wba s VAL 412 Cb -0.19 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.90 2wba s VAL 412 CO 0.22 0.50 -0.13 0.00 0.00 0.00 0.00 175.10 175.69 2wba s ALA 413 N 0.65 1.53 -0.04 5.51 0.00 0.14 -1.26 121.76 128.30 2wba s ALA 413 Ca -0.06 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.28 2wba s ALA 413 Cb -0.15 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.20 2wba s ALA 413 CO 0.02 -0.11 -0.03 0.15 0.00 0.00 0.00 175.76 175.80 2wba s LYS 414 N 1.07 0.63 -0.15 0.00 1.02 -0.29 -0.97 119.74 121.05 2wba s LYS 414 Ca -0.06 -0.04 0.01 0.00 0.02 0.00 0.00 55.97 55.91 2wba s LYS 414 Cb -0.15 -0.70 0.00 0.00 -0.52 0.00 0.00 37.83 36.46 2wba s LYS 414 CO -0.02 -0.10 -0.17 0.42 -0.92 0.00 0.00 175.35 174.55 2wba s ILE 415 N 0.95 2.49 -0.19 2.17 1.01 0.23 -1.09 121.20 126.77 2wba s ILE 415 Ca -0.11 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 2wba s ILE 415 Cb -0.14 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 2wba s ILE 415 CO -0.01 0.53 0.02 -0.69 0.00 0.00 0.00 174.94 174.79 2wba s VAL 416 N 0.75 4.23 0.17 2.92 1.01 0.30 -0.49 120.40 129.30 2wba s VAL 416 Ca -0.07 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 61.78 2wba s VAL 416 Cb -0.16 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2wba s VAL 416 CO 0.00 0.44 -0.19 0.42 0.00 0.00 0.00 175.10 175.77 2wba s THR 417 N 0.72 1.92 -0.48 3.92 -4.23 -0.32 0.60 115.64 117.77 2wba s THR 417 Ca 0.01 -1.95 -0.28 0.00 -1.18 0.00 0.00 61.69 58.29 2wba s THR 417 Cb -0.14 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.80 2wba s THR 417 CO 0.02 -0.29 1.56 0.21 -0.54 0.00 0.00 174.62 175.58 2wba s ASN 418 N -2.69 6.00 0.29 3.99 3.84 0.66 -1.89 114.94 125.14 2wba s ASN 418 Ca 0.17 0.64 0.24 0.00 0.21 0.00 0.00 52.86 54.12 2wba s ASN 418 Cb -0.06 -2.54 1.04 0.00 -0.55 0.00 0.00 41.25 39.14 2wba s ASN 418 CO 0.07 -1.74 1.74 -0.74 -2.79 0.00 0.00 177.10 173.64 2wba h HIS 419 N 11.92 0.00 -0.47 0.43 -0.00 -1.37 0.61 115.15 126.26 2wba h HIS 419 Ca -0.28 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.02 2wba h HIS 419 Cb 1.12 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.51 2wba h HIS 419 CO 1.00 0.00 0.01 0.77 -0.00 0.00 0.00 177.93 179.71 2wba h SER 420 N 0.00 0.74 0.00 3.26 0.02 -1.91 -3.36 113.55 112.30 2wba h SER 420 Ca 0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2wba h SER 420 Cb 0.35 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2wba h SER 420 CO 0.00 0.80 0.00 -0.90 -1.14 0.00 0.00 176.83 175.59 2wba n ASP 421 N -4.22 0.39 0.00 3.07 5.75 -1.06 -5.02 116.55 115.46 2wba n ASP 421 Ca 0.02 -0.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.94 2wba n ASP 421 Cb 0.29 0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 2wba n ASP 421 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wba n GLY 422 N 0.08 0.84 3.71 6.12 0.00 0.21 -4.92 105.19 111.24 2wba n GLY 422 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wba n GLY 422 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wba s THR 423 N -3.31 2.34 -0.05 2.61 2.01 -1.16 -0.42 115.64 117.66 2wba s THR 423 Ca 0.00 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 2wba s THR 423 Cb 0.00 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 2wba s THR 423 CO 0.00 0.01 1.25 -0.69 -0.69 0.00 0.00 174.62 174.50 2wba s VAL 424 N 1.66 4.15 -0.20 3.82 1.01 -0.02 -0.24 120.40 130.58 2wba s VAL 424 Ca 0.75 1.48 0.12 0.00 0.00 0.00 0.00 61.98 64.33 2wba s VAL 424 Cb -0.47 -3.95 -0.21 0.00 0.00 0.00 0.00 36.38 31.76 2wba s VAL 424 CO 0.33 -0.01 -0.01 0.18 0.00 0.00 0.00 175.10 175.58 2wba n LEU 425 N 5.36 0.84 -3.59 3.92 4.77 0.20 -4.86 117.00 123.64 2wba n LEU 425 Ca 0.12 -0.04 -0.16 0.00 -0.03 0.00 0.00 56.01 55.90 2wba n LEU 425 Cb 0.46 0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 2wba n LEU 425 CO 0.56 0.58 0.33 -0.83 -1.33 0.00 0.00 177.39 176.70 2wba s GLY 426 N -5.54 -0.47 -0.04 -0.72 0.00 -0.83 -1.10 107.32 98.61 2wba s GLY 426 Ca -0.15 1.18 0.01 0.00 0.00 0.00 0.00 44.72 45.76 2wba s GLY 426 CO 0.69 0.87 -0.06 0.14 0.00 0.00 0.00 173.10 174.74 2wba s VAL 427 N -0.98 0.64 -0.04 1.40 1.01 0.42 -0.54 120.40 122.30 2wba s VAL 427 Ca -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2wba s VAL 427 Cb -0.02 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.76 2wba s VAL 427 CO 0.07 0.24 -0.00 -1.00 0.00 0.00 0.00 175.10 174.41 2wba s HIS 428 N 0.70 0.45 0.01 5.22 3.76 -0.25 -1.08 115.29 124.10 2wba s HIS 428 Ca -0.10 -0.05 0.04 0.00 -0.15 0.00 0.00 55.06 54.79 2wba s HIS 428 Cb -0.13 -0.54 -0.01 0.00 1.11 0.00 0.00 32.58 33.01 2wba s HIS 428 CO 0.01 -0.18 -0.11 -0.51 -0.85 0.00 0.00 174.74 173.09 2wba s LEU 429 N 1.26 2.07 -0.09 0.89 1.43 0.74 -1.14 118.68 123.84 2wba s LEU 429 Ca -0.06 -0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2wba s LEU 429 Cb -0.13 -0.54 0.02 0.00 0.03 0.00 0.00 46.19 45.57 2wba s LEU 429 CO -0.02 0.09 -0.06 -0.22 0.23 0.00 0.00 176.35 176.37 2wba s LEU 430 N -0.52 1.09 0.00 1.79 2.96 -0.39 -0.96 118.68 122.66 2wba s LEU 430 Ca 0.03 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 2wba s LEU 430 Cb -0.05 -0.67 0.00 0.00 0.50 0.00 0.00 46.19 45.96 2wba s LEU 430 CO 0.00 -0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.53 2wba n GLY 431 N 4.75 3.07 3.65 7.98 0.00 0.08 -1.05 105.19 123.66 2wba n GLY 431 Ca -0.14 -1.63 -0.49 0.00 0.00 0.00 0.00 46.02 43.76 2wba n GLY 431 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wba n ASP 432 N 0.00 2.70 0.00 1.61 8.00 -1.26 -1.19 116.55 126.41 2wba n ASP 432 Ca 0.00 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.58 2wba n ASP 432 Cb 0.00 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 39.77 2wba n ASP 432 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wba n GLY 433 N 3.38 1.73 0.28 0.44 0.00 -1.26 -4.97 105.19 104.80 2wba n GLY 433 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.26 2wba n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wba h ALA 434 N 0.00 0.76 -0.30 4.61 0.00 -1.43 0.93 119.26 123.84 2wba h ALA 434 Ca 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2wba h ALA 434 Cb 0.00 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2wba h ALA 434 CO 0.00 -0.43 0.05 -1.35 0.00 0.00 0.00 179.25 177.52 2wba h PRO 435 N 0.08 0.44 0.01 0.00 0.11 -1.84 -2.07 132.00 128.73 2wba h PRO 435 Ca 0.42 -0.07 -0.23 0.00 0.11 0.00 0.00 66.00 66.23 2wba h PRO 435 Cb 0.73 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.76 2wba h PRO 435 CO -0.69 0.43 -0.97 0.93 -0.21 0.00 0.00 178.00 177.49 2wba h GLU 436 N 0.43 0.39 -0.45 1.05 4.39 -1.29 -3.30 114.58 115.79 2wba h GLU 436 Ca 0.10 -0.44 -0.10 0.00 0.34 0.00 0.00 59.36 59.26 2wba h GLU 436 Cb 0.21 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2wba h GLU 436 CO 0.00 1.11 -0.10 0.82 -1.16 0.00 0.00 179.01 179.68 2wba h ILE 437 N 0.21 1.27 0.00 3.13 2.04 -0.86 -3.26 117.51 120.04 2wba h ILE 437 Ca -0.08 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.56 2wba h ILE 437 Cb 1.61 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 2wba h ILE 437 CO 0.17 0.42 0.00 -0.29 0.00 0.00 0.00 178.15 178.44 2wba h ILE 438 N 0.71 0.00 0.30 -0.67 6.09 -1.46 -3.31 117.51 119.17 2wba h ILE 438 Ca 0.11 -0.36 -0.01 0.00 -1.37 0.00 0.00 64.86 63.23 2wba h ILE 438 Cb 0.65 1.23 0.00 0.00 0.47 0.00 0.00 36.82 39.17 2wba h ILE 438 CO 0.04 0.00 -0.14 -0.61 -3.07 0.00 0.00 178.15 174.37 2wba h GLN 439 N 0.00 -0.38 0.00 2.19 5.75 -1.66 -1.69 115.11 119.32 2wba h GLN 439 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2wba h GLN 439 Cb 0.43 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.07 2wba h GLN 439 CO 0.00 -0.23 0.00 0.00 -2.65 0.00 0.00 178.83 175.95 2wba h ALA 440 N 0.26 1.00 -0.70 3.38 0.00 -1.80 -2.31 119.26 119.10 2wba h ALA 440 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2wba h ALA 440 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2wba h ALA 440 CO 0.07 0.00 0.28 0.28 0.00 0.00 0.00 179.25 179.88 2wba h VAL 441 N 0.00 1.24 -0.75 0.00 2.07 -1.55 -1.71 116.25 115.55 2wba h VAL 441 Ca 0.00 -0.74 0.14 0.00 0.82 0.00 0.00 66.70 66.92 2wba h VAL 441 Cb 0.65 0.40 -0.10 0.00 -1.52 0.00 0.00 31.29 30.72 2wba h VAL 441 CO 0.00 0.30 0.28 1.23 0.02 0.00 0.00 177.57 179.40 2wba h GLY 442 N 1.08 1.12 1.09 2.17 0.00 -0.73 -1.50 103.07 106.30 2wba h GLY 442 Ca 0.24 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 2wba h GLY 442 CO -0.02 -0.11 0.17 -2.08 0.00 0.00 0.00 176.54 174.50 2wba h VAL 443 N 0.42 1.26 -0.69 4.60 2.07 -1.38 -2.77 116.25 119.77 2wba h VAL 443 Ca 0.41 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2wba h VAL 443 Cb 0.63 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2wba h VAL 443 CO -0.41 0.37 0.41 0.00 0.02 0.00 0.00 177.57 177.96 2wba h LEU 445 N 0.94 0.00 -1.30 0.00 3.38 -1.16 -1.53 115.31 115.64 2wba h LEU 445 Ca 0.25 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 2wba h LEU 445 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2wba h LEU 445 CO -0.05 0.58 -0.35 -0.09 0.09 0.00 0.00 178.44 178.62 2wba h ARG 446 N 0.00 0.00 -0.18 1.13 2.43 -1.19 -2.45 114.38 114.11 2wba h ARG 446 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2wba h ARG 446 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2wba h ARG 446 CO 0.08 0.35 0.00 1.28 -1.51 0.00 0.00 179.97 180.16 2wba n LEU 447 N -4.08 1.60 -3.57 3.80 4.77 -0.95 -4.93 117.00 113.64 2wba n LEU 447 Ca -0.02 -0.69 -0.23 0.00 -0.03 0.00 0.00 56.01 55.04 2wba n LEU 447 Cb 0.39 -0.12 0.08 0.00 -2.33 0.00 0.00 43.42 41.44 2wba n LEU 447 CO 0.38 0.35 0.22 0.59 -1.33 0.00 0.00 177.39 177.60 2wba n ASN 448 N 0.29 -5.61 -4.69 -1.43 3.02 -0.92 -4.94 115.26 100.98 2wba n ASN 448 Ca 0.15 -0.56 -0.42 0.00 -0.03 0.00 0.00 54.58 53.73 2wba n ASN 448 Cb 0.31 -5.04 0.00 0.00 -0.61 0.00 0.00 39.78 34.44 2wba n ASN 448 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wba n ALA 449 N -4.86 1.20 -2.35 5.41 0.00 -0.61 -4.78 120.51 114.53 2wba n ALA 449 Ca -0.04 0.30 -0.19 0.00 0.00 0.00 0.00 53.44 53.52 2wba n ALA 449 Cb 0.58 -2.25 -0.00 0.00 0.00 0.00 0.00 19.45 17.78 2wba n ALA 449 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wba s LYS 450 N -2.04 3.01 0.32 0.00 1.02 -1.26 -0.84 119.74 119.95 2wba s LYS 450 Ca 0.59 -1.10 0.04 0.00 0.02 0.00 0.00 55.97 55.52 2wba s LYS 450 Cb -0.54 -2.78 0.65 0.00 -0.52 0.00 0.00 37.83 34.65 2wba s LYS 450 CO 0.60 -0.03 1.90 0.97 -0.92 0.00 0.00 175.35 177.87 2wba h ILE 451 N 0.85 0.97 0.00 2.17 6.09 -1.07 -1.65 117.51 124.88 2wba h ILE 451 Ca -0.44 -0.30 -0.05 0.00 -1.37 0.00 0.00 64.86 62.70 2wba h ILE 451 Cb 1.26 0.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.56 2wba h ILE 451 CO 0.51 0.16 -0.24 0.77 -3.07 0.00 0.00 178.15 176.28 2wba h SER 452 N 0.88 0.00 0.23 2.19 4.64 -1.94 -0.75 113.55 118.79 2wba h SER 452 Ca 0.41 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.68 2wba h SER 452 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2wba h SER 452 CO -0.17 0.24 -0.24 0.44 -0.87 0.00 0.00 176.83 176.24 2wba h ASP 453 N 0.00 0.01 0.15 4.97 3.32 -1.69 -0.81 116.42 122.37 2wba h ASP 453 Ca -0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2wba h ASP 453 Cb 0.52 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2wba h ASP 453 CO 0.03 0.25 -0.07 -0.26 -1.72 0.00 0.00 179.24 177.47 2wba h PHE 454 N 0.01 -0.18 0.00 4.55 -1.00 -1.13 -3.23 116.94 115.96 2wba h PHE 454 Ca 0.00 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2wba h PHE 454 Cb 0.43 0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.05 2wba h PHE 454 CO 0.00 0.11 0.00 0.10 -1.61 0.00 0.00 178.31 176.91 2wba h TYR 455 N -1.00 0.00 -0.02 -0.55 -0.00 -1.39 -1.54 116.97 112.47 2wba h TYR 455 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.71 2wba h TYR 455 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.11 2wba h TYR 455 CO 0.06 0.00 -0.05 0.09 -0.00 0.00 0.00 178.16 178.26 2wba n ASN 456 N -2.44 1.58 -4.75 0.10 5.03 -0.31 -4.83 115.26 109.64 2wba n ASN 456 Ca 0.02 -1.45 -0.39 0.00 0.87 0.00 0.00 54.58 53.62 2wba n ASN 456 Cb 0.25 0.03 -0.05 0.00 -1.02 0.00 0.00 39.78 38.99 2wba n ASN 456 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2wba s THR 457 N -2.09 4.84 0.10 3.41 2.01 -0.58 -5.05 115.64 118.28 2wba s THR 457 Ca 0.34 1.44 -0.31 0.00 0.31 0.00 0.00 61.69 63.48 2wba s THR 457 Cb 0.21 -4.03 -0.07 0.00 0.01 0.00 0.00 72.50 68.62 2wba s THR 457 CO 0.37 0.38 1.23 -0.63 -0.69 0.00 0.00 174.62 175.27 2wba s ILE 458 N -0.02 3.81 0.67 1.82 1.01 -1.26 -4.90 121.20 122.32 2wba s ILE 458 Ca 0.35 1.34 -0.15 0.00 0.00 0.00 0.00 60.65 62.20 2wba s ILE 458 Cb -0.19 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.42 2wba s ILE 458 CO 0.20 0.13 1.11 -0.83 0.00 0.00 0.00 174.94 175.55 2wba s GLY 459 N 0.85 2.13 -0.26 6.18 0.00 -1.26 -5.04 107.32 109.92 2wba s GLY 459 Ca 0.58 0.54 -0.12 0.00 0.00 0.00 0.00 44.72 45.73 2wba s GLY 459 CO 0.31 0.90 0.23 0.14 0.00 0.00 0.00 173.10 174.68 2wba s VAL 460 N -2.36 5.29 -0.03 1.40 1.01 -1.26 -5.09 120.40 119.36 2wba s VAL 460 Ca 0.67 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.99 2wba s VAL 460 Cb -0.21 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2wba s VAL 460 CO 0.43 0.27 -0.19 -2.28 0.00 0.00 0.00 175.10 173.32 2wba s HIS 461 N 1.52 1.86 -0.11 5.22 5.04 -1.26 -3.27 115.29 124.29 2wba s HIS 461 Ca 0.10 -0.47 -0.18 0.00 -1.54 0.00 0.00 55.06 52.97 2wba s HIS 461 Cb -0.15 -1.22 -0.04 0.00 0.04 0.00 0.00 32.58 31.21 2wba s HIS 461 CO 0.08 -0.12 0.47 -1.25 -2.34 0.00 0.00 174.74 171.58 2wba s PRO 462 N -0.19 4.32 0.15 2.88 0.05 -1.26 -5.20 135.00 135.74 2wba s PRO 462 Ca 0.01 0.44 -0.03 0.00 0.05 0.00 0.00 61.00 61.47 2wba s PRO 462 Cb -0.10 -3.42 -0.03 0.00 0.05 0.00 0.00 34.50 30.99 2wba s PRO 462 CO 0.01 0.19 0.13 0.95 0.05 0.00 0.00 177.00 178.33 2wba s THR 463 N 0.51 0.08 0.13 1.26 -4.23 -1.20 -5.04 115.64 107.15 2wba s THR 463 Ca 0.26 -1.79 -0.06 0.00 -1.18 0.00 0.00 61.69 58.92 2wba s THR 463 Cb -0.15 -2.06 -0.16 0.00 1.34 0.00 0.00 72.50 71.46 2wba s THR 463 CO 0.10 -0.35 1.33 0.28 -0.54 0.00 0.00 174.62 175.44 2wba h SER 464 N 2.74 0.62 -0.34 3.99 0.02 -1.93 -3.35 113.55 115.31 2wba h SER 464 Ca -0.34 -0.45 0.06 0.00 -0.84 0.00 0.00 61.79 60.21 2wba h SER 464 Cb 1.21 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 2wba h SER 464 CO 0.55 1.24 0.23 0.00 -1.14 0.00 0.00 176.83 177.71 2wba h ALA 465 N 0.74 2.05 0.00 3.77 0.00 -1.95 -2.28 119.26 121.58 2wba h ALA 465 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wba h ALA 465 Cb 1.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2wba h ALA 465 CO 0.16 -0.11 0.00 1.05 0.00 0.00 0.00 179.25 180.34 2wba h GLU 466 N 0.21 0.00 -0.73 0.00 4.11 -1.79 -1.57 114.58 114.82 2wba h GLU 466 Ca 0.15 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.70 2wba h GLU 466 Cb 0.32 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 2wba h GLU 466 CO -0.03 0.00 0.49 0.93 0.07 0.00 0.00 179.01 180.47 2wba h GLU 467 N 0.00 0.48 0.00 1.06 4.39 -1.65 -1.06 114.58 117.80 2wba h GLU 467 Ca 0.00 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2wba h GLU 467 Cb 0.21 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2wba h GLU 467 CO 0.00 0.32 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.07 2wba h LEU 468 N 0.50 0.00 -2.93 1.33 3.38 -1.49 -2.32 115.31 113.78 2wba h LEU 468 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2wba h LEU 468 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2wba h LEU 468 CO -0.12 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.44 2wba n SER 470 N 0.84 1.98 -4.24 0.00 7.64 -0.87 -4.25 113.62 114.72 2wba n SER 470 Ca 0.19 -1.99 -0.36 0.00 1.01 0.00 0.00 58.87 57.71 2wba n SER 470 Cb 0.60 -0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.67 2wba n SER 470 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2wba s MET 471 N -1.00 2.60 -0.04 1.43 -1.94 -1.25 -4.93 119.30 114.18 2wba s MET 471 Ca 0.00 -1.17 0.07 0.00 -1.71 0.00 0.00 55.69 52.89 2wba s MET 471 Cb 0.00 -3.32 -0.11 0.00 2.01 0.00 0.00 34.83 33.41 2wba s MET 471 CO 0.00 -0.61 0.10 0.54 -0.01 0.00 0.00 175.02 175.04 2wba n ARG 472 N 4.74 1.50 -4.48 2.03 1.74 -1.26 -4.73 116.66 116.20 2wba n ARG 472 Ca -0.13 -0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.58 2wba n ARG 472 Cb 0.45 -1.19 -0.16 0.00 -1.02 0.00 0.00 32.46 30.53 2wba n ARG 472 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wba s THR 473 N -2.38 2.15 0.42 0.55 2.01 -1.26 -5.10 115.64 112.03 2wba s THR 473 Ca -0.03 -0.94 -0.26 0.00 0.31 0.00 0.00 61.69 60.77 2wba s THR 473 Cb 0.04 -1.88 -0.10 0.00 0.01 0.00 0.00 72.50 70.57 2wba s THR 473 CO 0.32 0.54 1.32 -2.65 -0.69 0.00 0.00 174.62 173.47 2wba n PRO 474 N 4.25 2.06 0.09 4.92 -0.02 -1.26 -4.84 135.00 140.19 2wba n PRO 474 Ca -0.20 0.73 -0.12 0.00 -2.02 0.00 0.00 63.50 61.89 2wba n PRO 474 Cb 0.51 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 2wba n PRO 474 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2wba h SER 475 N 2.20 0.35 -5.42 2.55 0.02 -1.00 -3.49 113.55 108.77 2wba h SER 475 Ca -0.49 -0.32 0.16 0.00 -0.84 0.00 0.00 61.79 60.31 2wba h SER 475 Cb 1.29 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 2wba h SER 475 CO 0.60 1.17 0.59 -0.72 -1.14 0.00 0.00 176.83 177.34 2wba s TYR 476 N -2.99 0.07 0.11 3.45 -0.85 -1.19 -4.81 117.35 111.14 2wba s TYR 476 Ca -0.04 -0.46 0.01 0.00 -0.52 0.00 0.00 57.07 56.06 2wba s TYR 476 Cb 0.09 0.70 -0.04 0.00 0.38 0.00 0.00 41.96 43.08 2wba s TYR 476 CO 0.85 -0.92 -0.03 0.71 -1.52 0.00 0.00 175.55 174.65 2wba s TYR 477 N -2.20 0.91 -0.16 -3.49 1.51 0.01 -1.40 117.35 112.53 2wba s TYR 477 Ca 0.22 -1.01 0.01 0.00 -1.01 0.00 0.00 57.07 55.28 2wba s TYR 477 Cb -0.03 -0.54 0.01 0.00 -0.11 0.00 0.00 41.96 41.29 2wba s TYR 477 CO 0.05 -0.25 -0.18 0.71 -1.11 0.00 0.00 175.55 174.77 2wba s TYR 478 N -3.73 2.76 -0.14 2.71 2.02 0.09 -1.53 117.35 119.54 2wba s TYR 478 Ca 0.16 -1.31 0.01 0.00 -0.37 0.00 0.00 57.07 55.56 2wba s TYR 478 Cb 0.06 -1.89 -0.00 0.00 -0.40 0.00 0.00 41.96 39.72 2wba s TYR 478 CO -0.02 -0.62 -0.17 0.08 -1.57 0.00 0.00 175.55 173.24 2wba s VAL 479 N 1.01 2.59 -1.76 0.71 1.01 -0.22 -1.27 120.40 122.48 2wba s VAL 479 Ca -0.02 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 60.97 2wba s VAL 479 Cb -0.15 -2.07 0.17 0.00 0.00 0.00 0.00 36.38 34.34 2wba s VAL 479 CO -0.05 0.53 0.63 0.29 0.00 0.00 0.00 175.10 176.50 2wba n LYS 480 N 3.82 -1.94 -0.24 2.72 5.02 0.06 -1.04 118.16 126.55 2wba n LYS 480 Ca -0.19 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2wba n LYS 480 Cb 0.52 -4.79 0.00 0.00 -0.02 0.00 0.00 35.03 30.74 2wba n LYS 480 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wba n GLY 481 N -1.38 1.35 3.56 0.72 0.00 -1.24 -5.04 105.19 103.15 2wba n GLY 481 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2wba n GLY 481 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wba s GLU 482 N -0.42 2.59 0.24 1.61 -1.05 -0.20 -4.98 118.70 116.48 2wba s GLU 482 Ca 0.00 -0.66 -0.30 0.00 -0.15 0.00 0.00 54.97 53.86 2wba s GLU 482 Cb 0.00 -2.49 -0.09 0.00 -0.44 0.00 0.00 34.13 31.11 2wba s GLU 482 CO 0.00 0.63 0.96 0.21 0.95 0.00 0.00 175.26 178.01 2wba s LYS 483 N -1.03 4.82 -0.19 -4.83 2.20 -1.26 -1.06 119.74 118.39 2wba s LYS 483 Ca 0.14 1.52 -0.27 0.00 -0.36 0.00 0.00 55.97 57.00 2wba s LYS 483 Cb -0.11 -3.28 0.07 0.00 -1.51 0.00 0.00 37.83 33.01 2wba s LYS 483 CO 0.03 0.46 0.71 0.00 -0.36 0.00 0.00 175.35 176.20 2wba s MET 484 N -1.12 0.91 0.28 4.03 0.23 -0.58 -4.97 119.30 118.08 2wba s MET 484 Ca 0.42 0.73 -0.00 0.00 -1.03 0.00 0.00 55.69 55.81 2wba s MET 484 Cb -0.26 0.44 0.41 0.00 -1.53 0.00 0.00 34.83 33.88 2wba s MET 484 CO 0.33 -0.18 1.80 1.49 -2.03 0.00 0.00 175.02 176.43 2wba h GLU 485 N 4.28 0.73 -5.39 3.16 4.81 -1.87 0.06 114.58 120.36 2wba h GLU 485 Ca -0.28 -0.18 -0.41 0.00 -0.13 0.00 0.00 59.36 58.36 2wba h GLU 485 Cb 1.15 -0.09 -0.19 0.00 0.63 0.00 0.00 28.75 30.25 2wba h GLU 485 CO 0.17 0.73 -0.76 0.15 -0.73 0.00 0.00 179.01 178.57 2wba s LYS 486 N -5.02 0.98 0.38 1.92 1.02 -1.26 -4.36 119.74 113.40 2wba s LYS 486 Ca -0.09 -1.19 -0.26 0.00 0.02 0.00 0.00 55.97 54.45 2wba s LYS 486 Cb 0.15 -0.88 -0.09 0.00 -0.52 0.00 0.00 37.83 36.49 2wba s LYS 486 CO 0.80 0.17 1.22 -0.51 -0.92 0.00 0.00 175.35 176.11 2wba s LEU 487 N -2.33 4.28 0.42 3.17 1.43 -1.26 -4.93 118.68 119.45 2wba s LEU 487 Ca 0.07 2.47 -0.23 0.00 -1.03 0.00 0.00 54.13 55.41 2wba s LEU 487 Cb -0.06 -3.89 -0.08 0.00 0.03 0.00 0.00 46.19 42.19 2wba s LEU 487 CO 0.03 -0.64 1.09 -2.16 0.23 0.00 0.00 176.35 174.89 2wba s PRO 488 N -2.10 4.02 -1.46 1.29 0.04 -1.26 -4.92 135.00 130.60 2wba s PRO 488 Ca 0.54 1.59 -0.11 0.00 0.04 0.00 0.00 61.00 63.06 2wba s PRO 488 Cb -0.34 -2.47 -0.06 0.00 0.04 0.00 0.00 34.50 31.67 2wba s PRO 488 CO 0.44 -0.29 2.63 -0.25 0.04 0.00 0.00 177.00 179.57 2wba n ASP 489 N -0.25 6.77 0.00 6.66 8.00 -1.26 -5.26 116.55 131.21 2wba n ASP 489 Ca 0.06 -2.62 0.00 0.00 0.71 0.00 0.00 54.79 52.94 2wba n ASP 489 Cb 0.49 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 2wba n ASP 489 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27