#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nug s ALA 2 N 0.00 2.43 0.22 0.00 0.00 -1.26 -4.94 121.76 118.21 1nug s ALA 2 Ca 0.00 1.19 -0.31 0.00 0.00 0.00 0.00 51.96 52.84 1nug s ALA 2 Cb 0.00 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.48 1nug s ALA 2 CO 0.00 -1.51 1.53 -1.17 0.00 0.00 0.00 175.76 174.61 1nug s LEU 3 N -4.28 4.37 0.06 0.00 2.96 -1.26 -4.98 118.68 115.55 1nug s LEU 3 Ca 0.81 2.71 -0.12 0.00 -0.22 0.00 0.00 54.13 57.31 1nug s LEU 3 Cb -0.37 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.73 1nug s LEU 3 CO 0.39 -0.80 0.27 -0.83 -1.32 0.00 0.00 176.35 174.06 1nug s GLY 4 N 0.72 -0.07 0.06 7.98 0.00 -1.26 -4.91 107.32 109.83 1nug s GLY 4 Ca 0.65 -0.15 -0.25 0.00 0.00 0.00 0.00 44.72 44.97 1nug s GLY 4 CO 0.39 -0.36 0.76 0.14 0.00 0.00 0.00 173.10 174.03 1nug s VAL 5 N -2.88 4.69 -0.11 1.40 1.01 -1.26 -0.95 120.40 122.30 1nug s VAL 5 Ca -0.03 1.63 0.15 0.00 0.00 0.00 0.00 61.98 63.74 1nug s VAL 5 Cb 0.00 -4.11 -0.22 0.00 0.00 0.00 0.00 36.38 32.05 1nug s VAL 5 CO -0.05 0.39 0.16 0.00 0.00 0.00 0.00 175.10 175.59 1nug n GLN 6 N 2.65 1.10 -3.58 2.72 6.02 0.13 -4.87 117.38 121.55 1nug n GLN 6 Ca -0.03 -0.06 -0.05 0.00 -0.01 0.00 0.00 57.00 56.85 1nug n GLN 6 Cb 0.50 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 30.33 1nug n GLN 6 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1nug s SER 7 N -4.64 -0.18 0.00 1.08 1.04 -0.92 -5.00 113.70 105.08 1nug s SER 7 Ca -0.07 0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.41 1nug s SER 7 Cb 0.07 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 1nug s SER 7 CO 0.67 -0.30 -0.11 -0.51 0.98 0.00 0.00 173.24 173.98 1nug s ILE 8 N -2.43 0.84 -0.21 -1.02 2.07 -1.26 -0.80 121.20 118.39 1nug s ILE 8 Ca 0.08 -0.54 -0.02 0.00 -1.41 0.00 0.00 60.65 58.76 1nug s ILE 8 Cb -0.01 -0.72 0.00 0.00 0.13 0.00 0.00 42.46 41.86 1nug s ILE 8 CO -0.05 0.18 -0.09 0.21 -1.91 0.00 0.00 174.94 173.27 1nug s ASN 9 N -0.41 3.94 0.00 4.50 3.84 0.16 -4.99 114.94 121.98 1nug s ASN 9 Ca 0.03 -0.51 0.26 0.00 0.21 0.00 0.00 52.86 52.85 1nug s ASN 9 Cb -0.05 -1.65 0.69 0.00 -0.55 0.00 0.00 41.25 39.69 1nug s ASN 9 CO -0.00 -0.02 1.55 0.79 -2.79 0.00 0.00 177.10 176.62 1nug n TRP 10 N 4.73 0.00 -4.21 0.43 7.02 -1.26 -1.16 117.44 122.99 1nug n TRP 10 Ca -0.19 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 55.95 1nug n TRP 10 Cb 0.50 -0.31 -0.04 0.00 -2.42 0.00 0.00 31.31 29.04 1nug n TRP 10 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1nug n GLN 11 N -1.49 -2.61 -0.32 -0.99 6.02 -1.26 -4.71 117.38 112.02 1nug n GLN 11 Ca 0.06 0.32 -0.03 0.00 -0.01 0.00 0.00 57.00 57.33 1nug n GLN 11 Cb 0.34 -4.71 0.02 0.00 1.02 0.00 0.00 30.24 26.90 1nug n GLN 11 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1nug h THR 12 N -1.55 0.05 -0.33 5.09 2.02 -1.92 0.01 112.91 116.29 1nug h THR 12 Ca -0.61 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.60 1nug h THR 12 Cb 1.38 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1nug h THR 12 CO 0.75 0.00 0.13 0.00 0.37 0.00 0.00 175.52 176.76 1nug h ALA 13 N 1.17 0.39 -0.18 6.16 0.00 -1.98 0.29 119.26 125.11 1nug h ALA 13 Ca 0.29 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1nug h ALA 13 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1nug h ALA 13 CO -0.88 -0.27 0.10 0.35 0.00 0.00 0.00 179.25 178.56 1nug h PHE 14 N 0.28 0.25 -0.34 0.00 3.04 -1.60 -0.16 116.94 118.41 1nug h PHE 14 Ca 0.15 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.03 1nug h PHE 14 Cb 0.10 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 1nug h PHE 14 CO -0.13 0.22 -0.03 -0.91 -2.02 0.00 0.00 178.31 175.45 1nug h ASN 15 N 0.20 0.60 -0.20 0.41 2.35 -0.74 -2.13 115.58 116.07 1nug h ASN 15 Ca 0.06 -0.33 -0.08 0.00 -0.55 0.00 0.00 56.30 55.41 1nug h ASN 15 Cb 0.05 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1nug h ASN 15 CO -0.01 0.79 -0.12 0.03 -1.65 0.00 0.00 177.43 176.46 1nug h ARG 16 N 0.41 0.59 0.09 0.81 3.08 -0.39 0.17 114.38 119.13 1nug h ARG 16 Ca 0.09 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1nug h ARG 16 Cb 0.49 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1nug h ARG 16 CO 0.02 0.70 -0.04 0.37 -1.07 0.00 0.00 179.97 179.95 1nug h GLN 17 N 0.54 -0.11 -0.29 0.04 4.15 -0.91 -0.28 115.11 118.25 1nug h GLN 17 Ca 0.10 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.44 1nug h GLN 17 Cb 0.53 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 1nug h GLN 17 CO 0.03 -0.06 -0.16 0.00 -1.93 0.00 0.00 178.83 176.71 1nug h ALA 18 N 0.78 1.18 -0.23 3.38 0.00 -1.01 -2.78 119.26 120.59 1nug h ALA 18 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1nug h ALA 18 Cb 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1nug h ALA 18 CO 0.02 0.52 0.00 0.72 0.00 0.00 0.00 179.25 180.51 1nug n HIS 19 N -4.17 0.30 -3.83 0.00 8.25 0.56 -4.92 115.22 111.41 1nug n HIS 19 Ca 0.00 -0.15 -0.26 0.00 -0.26 0.00 0.00 57.72 57.06 1nug n HIS 19 Cb 0.35 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.48 1nug n HIS 19 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1nug n HIS 20 N 0.19 -2.05 -0.89 4.41 -0.00 -0.49 -4.74 115.22 111.65 1nug n HIS 20 Ca 0.10 0.86 0.02 0.00 -0.00 0.00 0.00 57.72 58.70 1nug n HIS 20 Cb 0.22 -4.13 0.03 0.00 -0.00 0.00 0.00 29.99 26.11 1nug n HIS 20 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1nug n THR 21 N -4.46 0.71 0.29 1.59 -2.24 -0.24 -4.81 114.28 105.12 1nug n THR 21 Ca -0.15 -0.79 0.15 0.00 -2.27 0.00 0.00 64.05 60.99 1nug n THR 21 Cb 0.61 0.49 0.50 0.00 -2.10 0.00 0.00 70.33 69.83 1nug n THR 21 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1nug h ASP 22 N 0.00 0.00 1.26 3.42 2.03 -1.86 -3.23 116.42 118.04 1nug h ASP 22 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1nug h ASP 22 Cb 0.92 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.42 1nug h ASP 22 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 179.24 178.32 1nug h LYS 23 N 0.00 0.00 -6.68 4.15 1.57 -1.91 -3.45 116.57 110.25 1nug h LYS 23 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1nug h LYS 23 Cb 0.65 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.01 1nug h LYS 23 CO 0.00 0.00 0.76 -0.06 -0.57 0.00 0.00 179.45 179.58 1nug s PHE 24 N -3.48 3.09 -1.01 -1.35 0.40 -1.22 -4.82 117.98 109.59 1nug s PHE 24 Ca 0.03 0.96 -0.23 0.00 -0.60 0.00 0.00 56.93 57.10 1nug s PHE 24 Cb 0.08 -3.79 0.06 0.00 0.51 0.00 0.00 43.02 39.88 1nug s PHE 24 CO 0.56 -2.67 1.41 0.45 0.70 0.00 0.00 175.22 175.67 1nug s SER 25 N 0.62 6.51 -0.09 1.36 0.15 -0.15 -4.86 113.70 117.25 1nug s SER 25 Ca 0.62 -1.50 -0.30 0.00 0.70 0.00 0.00 55.95 55.48 1nug s SER 25 Cb -0.41 -2.55 0.11 0.00 -1.71 0.00 0.00 66.02 61.46 1nug s SER 25 CO 0.38 -1.47 0.91 -0.55 1.20 0.00 0.00 173.24 173.72 1nug s SER 26 N 4.82 -0.41 0.02 5.45 0.15 -1.26 -4.36 113.70 118.11 1nug s SER 26 Ca 0.44 0.30 0.18 0.00 0.70 0.00 0.00 55.95 57.58 1nug s SER 26 Cb -0.01 0.37 -0.17 0.00 -1.71 0.00 0.00 66.02 64.50 1nug s SER 26 CO -0.10 -0.48 0.67 0.00 1.20 0.00 0.00 173.24 174.54 1nug n GLN 27 N 0.40 0.64 -1.47 5.44 1.13 -1.26 -4.97 117.38 117.29 1nug n GLN 27 Ca -0.11 0.11 -0.37 0.00 -1.94 0.00 0.00 57.00 54.70 1nug n GLN 27 Cb 0.59 -1.72 0.07 0.00 0.11 0.00 0.00 30.24 29.29 1nug n GLN 27 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1nug n GLU 28 N -2.75 0.63 -2.58 -1.09 1.02 -1.26 -4.93 120.64 109.68 1nug n GLU 28 Ca -0.12 0.26 -0.43 0.00 -0.02 0.00 0.00 57.16 56.86 1nug n GLU 28 Cb 0.82 -2.09 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 1nug n GLU 28 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1nug s LEU 29 N -1.87 3.74 -0.19 -4.62 2.96 -1.26 -5.00 118.68 112.44 1nug s LEU 29 Ca 0.73 0.72 -0.02 0.00 -0.22 0.00 0.00 54.13 55.34 1nug s LEU 29 Cb -0.38 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 42.75 1nug s LEU 29 CO 0.50 -1.14 -0.09 -0.63 -1.32 0.00 0.00 176.35 173.67 1nug s ILE 30 N 4.26 3.05 0.37 6.68 1.01 -1.26 -0.70 121.20 134.61 1nug s ILE 30 Ca 0.49 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.55 1nug s ILE 30 Cb -0.10 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 1nug s ILE 30 CO 0.26 0.47 0.08 -0.76 0.00 0.00 0.00 174.94 174.99 1nug s LEU 31 N 1.14 2.13 0.02 2.97 1.43 0.29 -4.60 118.68 122.07 1nug s LEU 31 Ca 0.01 -1.50 0.07 0.00 -1.03 0.00 0.00 54.13 51.68 1nug s LEU 31 Cb -0.14 -0.32 -0.02 0.00 0.03 0.00 0.00 46.19 45.74 1nug s LEU 31 CO -0.03 -0.74 -0.22 -0.13 0.23 0.00 0.00 176.35 175.47 1nug s ARG 32 N -3.83 1.57 0.75 1.70 0.52 -1.26 0.34 118.95 118.75 1nug s ARG 32 Ca 0.30 -0.90 -0.14 0.00 -0.52 0.00 0.00 55.73 54.47 1nug s ARG 32 Cb 0.06 -1.63 0.05 0.00 0.52 0.00 0.00 34.95 33.95 1nug s ARG 32 CO 0.14 0.43 1.18 -0.98 0.02 0.00 0.00 175.30 176.09 1nug s ARG 33 N -0.94 2.05 -0.05 3.54 1.70 -0.58 -3.43 118.95 121.25 1nug s ARG 33 Ca 0.08 1.65 0.00 0.00 -0.47 0.00 0.00 55.73 56.99 1nug s ARG 33 Cb -0.09 -1.84 0.00 0.00 -0.57 0.00 0.00 34.95 32.46 1nug s ARG 33 CO 0.01 -1.88 0.00 0.41 -1.08 0.00 0.00 175.30 172.76 1nug n GLY 34 N 0.15 0.32 3.16 3.88 0.00 -1.00 -4.60 105.19 107.11 1nug n GLY 34 Ca 0.13 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1nug n GLY 34 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nug s GLN 35 N -0.98 1.22 0.56 1.61 0.74 -1.22 -4.81 119.66 116.78 1nug s GLN 35 Ca 0.00 -0.68 -0.18 0.00 0.05 0.00 0.00 55.36 54.55 1nug s GLN 35 Cb 0.00 -1.22 -0.05 0.00 1.10 0.00 0.00 33.01 32.84 1nug s GLN 35 CO 0.00 0.32 1.09 -0.80 -0.55 0.00 0.00 175.29 175.36 1nug s ASN 36 N -0.70 5.76 -0.04 6.67 0.02 -1.26 -4.26 114.94 121.13 1nug s ASN 36 Ca 0.05 2.03 -0.07 0.00 -1.02 0.00 0.00 52.86 53.86 1nug s ASN 36 Cb -0.07 -2.56 0.01 0.00 0.02 0.00 0.00 41.25 38.65 1nug s ASN 36 CO 0.00 -1.19 0.17 0.72 0.02 0.00 0.00 177.10 176.82 1nug s PHE 37 N -2.02 -0.12 -0.11 2.20 -0.71 -0.55 -4.97 117.98 111.69 1nug s PHE 37 Ca 0.69 0.28 -0.02 0.00 -1.04 0.00 0.00 56.93 56.84 1nug s PHE 37 Cb -0.20 0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.61 1nug s PHE 37 CO 0.29 -0.16 -0.02 -1.14 -1.34 0.00 0.00 175.22 172.86 1nug s GLN 38 N -0.38 3.26 0.14 1.99 0.74 -1.26 -1.04 119.66 123.12 1nug s GLN 38 Ca -0.05 -0.47 0.06 0.00 0.05 0.00 0.00 55.36 54.95 1nug s GLN 38 Cb -0.03 -2.82 -0.04 0.00 1.10 0.00 0.00 33.01 31.21 1nug s GLN 38 CO 0.01 0.50 -0.14 0.14 -0.55 0.00 0.00 175.29 175.24 1nug s VAL 39 N -0.32 1.46 -0.18 1.34 -7.23 0.74 -4.55 120.40 111.65 1nug s VAL 39 Ca 0.06 -1.85 -0.01 0.00 -1.81 0.00 0.00 61.98 58.36 1nug s VAL 39 Cb -0.12 -1.69 -0.00 0.00 0.56 0.00 0.00 36.38 35.13 1nug s VAL 39 CO 0.02 -0.45 -0.12 -0.76 -0.31 0.00 0.00 175.10 173.47 1nug s LEU 40 N -2.68 2.57 -0.22 1.32 1.43 -0.31 -0.40 118.68 120.39 1nug s LEU 40 Ca 0.13 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1nug s LEU 40 Cb -0.04 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.60 1nug s LEU 40 CO 0.04 0.04 -0.13 -0.32 0.23 0.00 0.00 176.35 176.21 1nug s MET 41 N 1.08 2.85 -0.38 1.70 1.75 -0.22 0.36 119.30 126.44 1nug s MET 41 Ca 0.00 -0.94 -0.19 0.00 -1.25 0.00 0.00 55.69 53.31 1nug s MET 41 Cb -0.14 -2.79 0.01 0.00 2.84 0.00 0.00 34.83 34.75 1nug s MET 41 CO -0.03 -0.32 0.53 0.42 -0.65 0.00 0.00 175.02 174.97 1nug s ILE 42 N 1.29 4.98 0.80 10.11 1.01 0.02 -0.48 121.20 138.93 1nug s ILE 42 Ca 0.01 0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.80 1nug s ILE 42 Cb -0.15 -4.04 0.16 0.00 0.01 0.00 0.00 42.46 38.44 1nug s ILE 42 CO -0.08 -0.34 1.10 -0.04 0.00 0.00 0.00 174.94 175.57 1nug s MET 43 N 2.46 1.26 0.21 2.79 -1.94 0.56 0.21 119.30 124.86 1nug s MET 43 Ca 0.19 -1.10 0.23 0.00 -1.71 0.00 0.00 55.69 53.30 1nug s MET 43 Cb -0.15 -2.22 0.20 0.00 2.01 0.00 0.00 34.83 34.67 1nug s MET 43 CO 0.15 -1.79 1.26 -2.95 -0.01 0.00 0.00 175.02 171.67 1nug h ASN 44 N -0.86 0.00 -2.73 3.03 -1.07 -1.33 -3.42 115.58 109.21 1nug h ASN 44 Ca -0.36 -0.07 -0.06 0.00 0.07 0.00 0.00 56.30 55.87 1nug h ASN 44 Cb 1.25 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.50 1nug h ASN 44 CO 0.36 0.04 0.16 2.29 0.07 0.00 0.00 177.43 180.35 1nug n LYS 45 N -2.53 0.84 -1.93 4.14 2.85 -1.26 -5.02 118.16 115.25 1nug n LYS 45 Ca 0.02 -1.84 -0.33 0.00 -1.05 0.00 0.00 58.31 55.11 1nug n LYS 45 Cb 0.50 2.19 0.03 0.00 -0.65 0.00 0.00 35.03 37.10 1nug n LYS 45 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1nug s GLY 46 N -2.65 2.21 -0.33 2.58 0.00 -1.26 -4.73 107.32 103.14 1nug s GLY 46 Ca 0.14 0.53 -0.27 0.00 0.00 0.00 0.00 44.72 45.13 1nug s GLY 46 CO 0.11 0.88 0.99 -2.27 0.00 0.00 0.00 173.10 172.80 1nug s LEU 47 N -4.59 3.97 0.27 0.66 2.96 -1.26 -5.00 118.68 115.70 1nug s LEU 47 Ca 0.67 0.87 -0.25 0.00 -0.22 0.00 0.00 54.13 55.19 1nug s LEU 47 Cb -0.19 -3.39 -0.09 0.00 0.50 0.00 0.00 46.19 43.01 1nug s LEU 47 CO 0.38 -0.83 0.88 -0.83 -1.32 0.00 0.00 176.35 174.63 1nug s GLY 48 N 1.71 2.82 0.40 7.98 0.00 -1.26 -4.94 107.32 114.02 1nug s GLY 48 Ca 0.41 0.45 0.27 0.00 0.00 0.00 0.00 44.72 45.85 1nug s GLY 48 CO 0.16 0.90 1.82 1.48 0.00 0.00 0.00 173.10 177.46 1nug h SER 49 N 3.49 0.00 -0.12 1.64 4.64 -2.02 -0.43 113.55 120.74 1nug h SER 49 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1nug h SER 49 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1nug h SER 49 CO 0.66 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 173.42 1nug n ASN 50 N -2.45 2.47 -4.97 4.97 4.05 -1.26 -4.92 115.26 113.15 1nug n ASN 50 Ca -0.01 -1.82 -0.19 0.00 0.45 0.00 0.00 54.58 53.01 1nug n ASN 50 Cb 0.06 -0.07 -0.00 0.00 1.23 0.00 0.00 39.78 41.00 1nug n ASN 50 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1nug s GLU 51 N -1.86 2.91 -0.12 1.20 2.02 -0.17 -4.89 118.70 117.78 1nug s GLU 51 Ca 0.34 -1.18 -0.15 0.00 0.02 0.00 0.00 54.97 53.99 1nug s GLU 51 Cb 0.20 -2.72 0.04 0.00 0.10 0.00 0.00 34.13 31.75 1nug s GLU 51 CO 0.31 -0.09 0.40 0.50 0.02 0.00 0.00 175.26 176.40 1nug s ARG 52 N -4.22 0.54 -0.11 1.61 3.52 -0.80 -4.91 118.95 114.57 1nug s ARG 52 Ca 0.49 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.51 1nug s ARG 52 Cb -0.09 0.26 -0.02 0.00 -1.56 0.00 0.00 34.95 33.54 1nug s ARG 52 CO 0.31 -0.09 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.08 1nug s LEU 53 N -0.13 2.78 -0.19 -0.88 1.43 -1.26 -1.00 118.68 119.43 1nug s LEU 53 Ca -0.03 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1nug s LEU 53 Cb -0.03 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 44.60 1nug s LEU 53 CO 0.02 0.21 -0.15 -1.61 0.23 0.00 0.00 176.35 175.05 1nug s GLU 54 N 0.09 2.48 0.28 1.70 0.41 -0.08 -1.44 118.70 122.13 1nug s GLU 54 Ca -0.05 -0.87 -0.16 0.00 -0.41 0.00 0.00 54.97 53.47 1nug s GLU 54 Cb -0.15 -2.50 -0.09 0.00 -1.78 0.00 0.00 34.13 29.62 1nug s GLU 54 CO 0.04 -0.33 0.72 -0.06 -0.49 0.00 0.00 175.26 175.14 1nug s PHE 55 N 1.32 3.47 -0.11 1.61 0.40 0.24 -0.44 117.98 124.47 1nug s PHE 55 Ca 0.01 1.25 -0.02 0.00 -0.60 0.00 0.00 56.93 57.57 1nug s PHE 55 Cb -0.15 -2.55 0.04 0.00 0.51 0.00 0.00 43.02 40.87 1nug s PHE 55 CO -0.10 0.18 0.02 0.42 0.70 0.00 0.00 175.22 176.45 1nug s ILE 56 N -1.82 0.34 0.05 0.64 1.01 0.16 -1.81 121.20 119.76 1nug s ILE 56 Ca 0.50 -0.05 0.05 0.00 0.00 0.00 0.00 60.65 61.15 1nug s ILE 56 Cb -0.12 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 1nug s ILE 56 CO 0.19 0.09 -0.10 0.68 0.00 0.00 0.00 174.94 175.80 1nug s VAL 57 N 1.97 3.40 -0.10 2.92 -7.23 -0.63 -0.53 120.40 120.21 1nug s VAL 57 Ca 0.03 -1.03 -0.21 0.00 -1.81 0.00 0.00 61.98 58.96 1nug s VAL 57 Cb -0.14 -2.51 0.05 0.00 0.56 0.00 0.00 36.38 34.34 1nug s VAL 57 CO -0.06 0.28 0.52 -0.44 -0.31 0.00 0.00 175.10 175.08 1nug s SER 58 N -1.72 -0.48 0.02 4.85 0.01 -0.42 -1.38 113.70 114.58 1nug s SER 58 Ca 0.18 0.68 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1nug s SER 58 Cb -0.11 0.70 -0.02 0.00 0.21 0.00 0.00 66.02 66.80 1nug s SER 58 CO 0.10 -0.39 -0.03 0.28 0.41 0.00 0.00 173.24 173.60 1nug s THR 59 N -0.64 0.12 0.00 1.44 -1.32 -0.81 0.23 115.64 114.65 1nug s THR 59 Ca -0.07 -0.84 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 1nug s THR 59 Cb -0.03 -0.26 0.00 0.00 -1.51 0.00 0.00 72.50 70.70 1nug s THR 59 CO 0.05 -0.45 0.00 0.61 -2.21 0.00 0.00 174.62 172.61 1nug n GLY 60 N 1.72 -1.73 0.01 6.08 0.00 -1.26 -4.20 105.19 105.81 1nug n GLY 60 Ca -0.23 -1.53 0.10 0.00 0.00 0.00 0.00 46.02 44.35 1nug n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nug n PRO 61 N -2.11 0.02 -3.18 1.61 -0.04 -1.26 -4.07 135.00 125.97 1nug n PRO 61 Ca 0.00 0.19 -0.21 0.00 -0.04 0.00 0.00 63.50 63.44 1nug n PRO 61 Cb 0.00 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 31.88 1nug n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1nug n TYR 62 N -1.57 0.41 -1.66 0.54 4.01 -1.26 -5.08 117.16 112.55 1nug n TYR 62 Ca 0.04 -3.77 -0.57 0.00 -0.16 0.00 0.00 57.90 53.45 1nug n TYR 62 Cb 0.23 -0.41 -0.07 0.00 -0.31 0.00 0.00 39.34 38.78 1nug n TYR 62 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1nug n PRO 63 N 0.60 1.08 -4.50 -0.72 -0.02 -1.26 -4.93 135.00 125.24 1nug n PRO 63 Ca 0.24 0.38 -0.24 0.00 -2.02 0.00 0.00 63.50 61.86 1nug n PRO 63 Cb 0.59 -2.11 -0.17 0.00 -0.02 0.00 0.00 33.50 31.79 1nug n PRO 63 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nug s SER 64 N 4.17 1.72 0.20 2.55 0.15 -1.25 -4.76 113.70 116.47 1nug s SER 64 Ca 1.01 -0.28 -0.08 0.00 0.70 0.00 0.00 55.95 57.29 1nug s SER 64 Cb -1.07 -0.79 0.11 0.00 -1.71 0.00 0.00 66.02 62.55 1nug s SER 64 CO 0.64 0.02 1.69 -0.33 1.20 0.00 0.00 173.24 176.46 1nug h GLU 65 N 7.07 1.12 0.00 5.44 3.07 -1.90 0.20 114.58 129.57 1nug h GLU 65 Ca -0.31 -0.30 -0.09 0.00 -0.50 0.00 0.00 59.36 58.16 1nug h GLU 65 Cb 1.18 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 1nug h GLU 65 CO 0.47 1.02 -0.43 0.77 -1.40 0.00 0.00 179.01 179.44 1nug h SER 66 N 1.05 0.00 0.57 1.42 0.02 -1.96 -2.29 113.55 112.36 1nug h SER 66 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1nug h SER 66 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1nug h SER 66 CO 0.01 0.43 -0.35 0.00 -1.14 0.00 0.00 176.83 175.78 1nug n ALA 67 N -2.42 3.20 -1.12 3.77 0.00 -1.01 -4.92 120.51 118.01 1nug n ALA 67 Ca -0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 53.44 53.09 1nug n ALA 67 Cb 0.47 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 1nug n ALA 67 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1nug n MET 68 N -1.39 -0.45 -0.31 0.00 0.00 -0.24 -4.80 117.12 109.92 1nug n MET 68 Ca 0.07 0.54 0.10 0.00 0.00 0.00 0.00 57.70 58.41 1nug n MET 68 Cb 0.33 -4.20 0.27 0.00 0.00 0.00 0.00 33.22 29.62 1nug n MET 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1nug n THR 69 N -2.80 0.82 -3.66 2.03 -2.24 0.53 -4.68 114.28 104.29 1nug n THR 69 Ca -0.04 -0.81 -0.11 0.00 -2.27 0.00 0.00 64.05 60.82 1nug n THR 69 Cb 0.18 0.39 -0.08 0.00 -2.10 0.00 0.00 70.33 68.72 1nug n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1nug s LYS 70 N -1.21 0.66 0.00 -0.78 2.20 -0.91 -1.92 119.74 117.78 1nug s LYS 70 Ca 0.40 0.98 0.00 0.00 -0.36 0.00 0.00 55.97 57.00 1nug s LYS 70 Cb 0.21 0.21 -0.00 0.00 -1.51 0.00 0.00 37.83 36.74 1nug s LYS 70 CO 0.27 -0.12 -0.01 0.00 -0.36 0.00 0.00 175.35 175.12 1nug s ALA 71 N 1.00 0.11 -0.15 3.13 0.00 -0.48 -3.74 121.76 121.63 1nug s ALA 71 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1nug s ALA 71 Cb -0.05 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.08 1nug s ALA 71 CO -0.09 0.01 -0.10 0.08 0.00 0.00 0.00 175.76 175.67 1nug s VAL 72 N -0.13 1.32 0.01 0.00 1.01 -1.26 -1.60 120.40 119.75 1nug s VAL 72 Ca -0.01 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1nug s VAL 72 Cb -0.01 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 1nug s VAL 72 CO -0.00 0.30 -0.05 0.72 0.00 0.00 0.00 175.10 176.07 1nug s PHE 73 N 1.57 0.46 0.27 5.22 -0.71 -0.75 -4.97 117.98 119.05 1nug s PHE 73 Ca 0.03 -0.21 -0.17 0.00 -1.04 0.00 0.00 56.93 55.54 1nug s PHE 73 Cb -0.14 -0.29 -0.08 0.00 -1.21 0.00 0.00 43.02 41.30 1nug s PHE 73 CO -0.09 -0.04 0.72 -1.25 -1.34 0.00 0.00 175.22 173.23 1nug s PRO 74 N -0.55 4.12 -0.34 1.99 0.04 -1.26 -0.59 135.00 138.40 1nug s PRO 74 Ca -0.02 0.75 -0.29 0.00 0.04 0.00 0.00 61.00 61.49 1nug s PRO 74 Cb -0.04 -2.67 -0.01 0.00 0.04 0.00 0.00 34.50 31.82 1nug s PRO 74 CO -0.00 0.29 1.65 -1.17 0.04 0.00 0.00 177.00 177.81 1nug s LEU 75 N -2.45 3.57 0.00 -3.56 1.98 -0.52 -4.09 118.68 113.62 1nug s LEU 75 Ca 0.48 1.19 0.00 0.00 -2.89 0.00 0.00 54.13 52.91 1nug s LEU 75 Cb -0.14 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.18 1nug s LEU 75 CO 0.19 -1.56 0.00 -1.54 -1.89 0.00 0.00 176.35 171.55 1nug n SER 76 N 9.57 1.90 -0.40 3.68 3.41 0.36 -4.78 113.62 127.37 1nug n SER 76 Ca 0.20 -0.39 0.04 0.00 -0.26 0.00 0.00 58.87 58.47 1nug n SER 76 Cb 0.47 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.50 1nug n SER 76 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1nug n ASN 77 N -0.43 2.24 -4.02 4.04 4.05 -1.26 -0.79 115.26 119.09 1nug n ASN 77 Ca 0.00 -1.71 -0.08 0.00 0.45 0.00 0.00 54.58 53.24 1nug n ASN 77 Cb 0.00 -0.09 -0.11 0.00 1.23 0.00 0.00 39.78 40.81 1nug n ASN 77 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1nug s GLY 78 N -0.86 0.32 -0.56 8.20 0.00 -1.26 -4.86 107.32 108.31 1nug s GLY 78 Ca 0.14 -0.79 -0.26 0.00 0.00 0.00 0.00 44.72 43.80 1nug s GLY 78 CO 0.11 -0.88 1.05 -0.45 0.00 0.00 0.00 173.10 172.93 1nug s SER 79 N -1.93 6.40 0.00 1.64 0.15 -1.26 -4.71 113.70 113.99 1nug s SER 79 Ca -0.08 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1nug s SER 79 Cb -0.04 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1nug s SER 79 CO -0.04 -1.32 0.00 -1.54 1.20 0.00 0.00 173.24 171.54 1nug n SER 80 N 7.86 0.00 -2.04 5.45 3.41 -1.26 -5.09 113.62 121.94 1nug n SER 80 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1nug n SER 80 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1nug n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nug n GLY 81 N 5.00 1.03 3.50 5.00 0.00 -1.26 -4.87 105.19 113.59 1nug n GLY 81 Ca 0.00 -1.51 -0.52 0.00 0.00 0.00 0.00 46.02 43.99 1nug n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nug n GLY 82 N 5.00 0.61 1.13 -0.02 0.00 -1.26 -4.01 105.19 106.65 1nug n GLY 82 Ca 0.00 0.94 -0.00 0.00 0.00 0.00 0.00 46.02 46.96 1nug n GLY 82 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1nug n TRP 83 N 8.65 -0.19 -3.83 1.61 7.02 -1.23 -4.73 117.44 124.74 1nug n TRP 83 Ca 0.38 0.11 -0.09 0.00 -1.02 0.00 0.00 57.50 56.87 1nug n TRP 83 Cb 0.20 -2.00 -0.06 0.00 -2.42 0.00 0.00 31.31 27.04 1nug n TRP 83 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1nug s SER 84 N -0.02 -0.04 -0.04 -0.99 1.04 -0.84 -4.84 113.70 107.97 1nug s SER 84 Ca -0.00 -0.63 -0.01 0.00 0.48 0.00 0.00 55.95 55.79 1nug s SER 84 Cb 0.00 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1nug s SER 84 CO 0.01 -0.86 0.03 0.00 0.98 0.00 0.00 173.24 173.39 1nug s ALA 85 N -3.89 0.29 -0.13 5.32 0.00 -1.26 -1.35 121.76 120.74 1nug s ALA 85 Ca 0.09 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1nug s ALA 85 Cb 0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1nug s ALA 85 CO -0.06 -0.28 -0.15 0.08 0.00 0.00 0.00 175.76 175.35 1nug s VAL 86 N 1.58 2.88 -0.54 0.00 1.01 -0.07 -0.49 120.40 124.77 1nug s VAL 86 Ca -0.02 -0.72 -0.26 0.00 0.00 0.00 0.00 61.98 60.98 1nug s VAL 86 Cb -0.13 -2.20 0.04 0.00 0.00 0.00 0.00 36.38 34.09 1nug s VAL 86 CO -0.03 0.53 1.01 -0.22 0.00 0.00 0.00 175.10 176.39 1nug s LEU 87 N 0.37 3.89 0.08 3.92 2.96 0.03 -1.62 118.68 128.31 1nug s LEU 87 Ca -0.12 -0.13 0.08 0.00 -0.22 0.00 0.00 54.13 53.75 1nug s LEU 87 Cb -0.16 -3.00 -0.22 0.00 0.50 0.00 0.00 46.19 43.31 1nug s LEU 87 CO 0.06 -1.27 1.13 1.56 -1.32 0.00 0.00 176.35 176.51 1nug h GLN 88 N 9.34 0.00 -2.22 1.98 4.20 -1.53 -3.46 115.11 123.42 1nug h GLN 88 Ca -0.25 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.50 1nug h GLN 88 Cb 1.07 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.68 1nug h GLN 88 CO 1.11 0.88 0.41 0.00 -0.67 0.00 0.00 178.83 180.56 1nug s ALA 89 N -2.68 -1.80 -0.22 3.87 0.00 -1.21 -5.00 121.76 114.71 1nug s ALA 89 Ca -0.00 1.09 -0.01 0.00 0.00 0.00 0.00 51.96 53.03 1nug s ALA 89 Cb 0.09 0.20 0.06 0.00 0.00 0.00 0.00 23.12 23.48 1nug s ALA 89 CO 0.82 -0.58 0.01 -1.12 0.00 0.00 0.00 175.76 174.89 1nug s SER 90 N -2.05 3.44 -0.21 0.00 0.01 -1.26 -1.39 113.70 112.23 1nug s SER 90 Ca 0.01 -1.07 0.01 0.00 1.31 0.00 0.00 55.95 56.20 1nug s SER 90 Cb -0.01 -0.88 0.03 0.00 0.21 0.00 0.00 66.02 65.37 1nug s SER 90 CO -0.05 -0.29 -0.15 0.20 0.41 0.00 0.00 173.24 173.36 1nug s ASN 91 N 1.63 3.63 1.66 2.44 0.02 -0.48 -4.99 114.94 118.86 1nug s ASN 91 Ca -0.02 -0.80 0.00 0.00 -1.02 0.00 0.00 52.86 51.03 1nug s ASN 91 Cb -0.18 -1.54 0.00 0.00 0.02 0.00 0.00 41.25 39.55 1nug s ASN 91 CO -0.09 -0.05 0.00 0.61 0.02 0.00 0.00 177.10 177.59 1nug n GLY 92 N 4.61 3.68 0.81 0.66 0.00 -1.26 0.35 105.19 114.04 1nug n GLY 92 Ca -0.19 0.22 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1nug n GLY 92 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nug n ASN 93 N 8.19 3.33 -4.56 1.61 3.02 -1.26 -4.67 115.26 120.92 1nug n ASN 93 Ca 0.00 -2.24 -0.38 0.00 -0.03 0.00 0.00 54.58 51.93 1nug n ASN 93 Cb 0.00 -0.34 -0.11 0.00 -0.61 0.00 0.00 39.78 38.72 1nug n ASN 93 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1nug s THR 94 N -1.43 5.13 -0.26 3.41 2.01 0.16 -0.32 115.64 124.34 1nug s THR 94 Ca 0.31 0.09 -0.10 0.00 0.31 0.00 0.00 61.69 62.29 1nug s THR 94 Cb 0.19 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 1nug s THR 94 CO 0.16 0.25 0.17 -0.76 -0.69 0.00 0.00 174.62 173.75 1nug s LEU 95 N 1.73 4.02 -0.27 4.42 1.43 0.37 -1.39 118.68 129.00 1nug s LEU 95 Ca 0.07 0.03 -0.20 0.00 -1.03 0.00 0.00 54.13 53.00 1nug s LEU 95 Cb -0.16 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 1nug s LEU 95 CO 0.10 0.00 0.61 -0.89 0.23 0.00 0.00 176.35 176.40 1nug s THR 96 N 1.43 4.99 -0.03 5.49 2.01 -0.49 -1.06 115.64 127.98 1nug s THR 96 Ca 0.07 1.03 0.06 0.00 0.31 0.00 0.00 61.69 63.15 1nug s THR 96 Cb -0.15 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 1nug s THR 96 CO 0.08 0.00 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.17 1nug s ILE 97 N 2.49 1.68 -0.23 1.82 1.01 0.46 -1.30 121.20 127.13 1nug s ILE 97 Ca 0.25 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.96 1nug s ILE 97 Cb -0.15 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.89 1nug s ILE 97 CO 0.09 0.47 0.02 -0.55 0.00 0.00 0.00 174.94 174.98 1nug s SER 98 N -0.29 4.80 -0.08 3.58 0.15 -0.64 -0.19 113.70 121.03 1nug s SER 98 Ca 0.03 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1nug s SER 98 Cb -0.10 -1.85 -0.03 0.00 -1.71 0.00 0.00 66.02 62.33 1nug s SER 98 CO 0.01 -0.02 -0.07 -0.63 1.20 0.00 0.00 173.24 173.73 1nug s ILE 99 N 1.50 3.69 0.16 6.45 1.01 -0.20 -0.89 121.20 132.92 1nug s ILE 99 Ca 0.06 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.30 1nug s ILE 99 Cb -0.15 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 1nug s ILE 99 CO 0.01 0.59 -0.15 -0.55 0.00 0.00 0.00 174.94 174.84 1nug s SER 100 N -0.65 2.32 0.22 3.58 0.15 -0.46 -1.48 113.70 117.38 1nug s SER 100 Ca 0.10 -0.91 0.06 0.00 0.70 0.00 0.00 55.95 55.90 1nug s SER 100 Cb -0.11 -0.10 -0.05 0.00 -1.71 0.00 0.00 66.02 64.04 1nug s SER 100 CO 0.02 -0.15 -0.08 -0.94 1.20 0.00 0.00 173.24 173.29 1nug s SER 101 N -2.86 2.33 0.41 5.45 1.04 -1.26 -1.98 113.70 116.83 1nug s SER 101 Ca 0.16 -1.11 -0.22 0.00 0.48 0.00 0.00 55.95 55.25 1nug s SER 101 Cb -0.03 -0.09 -0.10 0.00 0.10 0.00 0.00 66.02 65.90 1nug s SER 101 CO 0.05 -0.32 0.97 -2.16 0.98 0.00 0.00 173.24 172.75 1nug s PRO 102 N -3.73 4.25 0.28 4.02 0.04 -1.26 -2.36 135.00 136.23 1nug s PRO 102 Ca 0.25 1.22 0.22 0.00 0.04 0.00 0.00 61.00 62.73 1nug s PRO 102 Cb 0.03 -2.32 1.06 0.00 0.04 0.00 0.00 34.50 33.30 1nug s PRO 102 CO 0.08 -0.02 1.68 0.00 0.04 0.00 0.00 177.00 178.77 1nug n ALA 103 N -0.40 1.37 -0.45 8.56 0.00 -1.26 -1.43 120.51 126.89 1nug n ALA 103 Ca 0.06 0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.74 1nug n ALA 103 Cb 0.53 -1.35 0.30 0.00 0.00 0.00 0.00 19.45 18.93 1nug n ALA 103 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nug n SER 104 N -2.24 4.05 -4.77 0.00 3.41 -1.26 -4.77 113.62 108.05 1nug n SER 104 Ca 0.00 -2.20 -0.41 0.00 -0.26 0.00 0.00 58.87 56.01 1nug n SER 104 Cb 0.14 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.58 1nug n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nug s ALA 105 N -1.37 3.47 0.51 7.33 0.00 -0.51 -4.75 121.76 126.44 1nug s ALA 105 Ca 0.45 1.17 -0.23 0.00 0.00 0.00 0.00 51.96 53.35 1nug s ALA 105 Cb 0.26 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.88 1nug s ALA 105 CO 0.26 -0.52 1.36 -2.14 0.00 0.00 0.00 175.76 174.72 1nug s PRO 106 N -1.71 3.36 0.59 0.00 0.02 -1.26 -4.58 135.00 131.43 1nug s PRO 106 Ca 0.48 2.24 -0.05 0.00 0.02 0.00 0.00 61.00 63.69 1nug s PRO 106 Cb -0.38 -2.39 0.01 0.00 0.02 0.00 0.00 34.50 31.76 1nug s PRO 106 CO 0.50 -1.02 0.89 0.96 -0.33 0.00 0.00 177.00 178.01 1nug s ILE 107 N -1.29 3.50 -2.53 2.83 -4.36 -0.09 -4.83 121.20 114.42 1nug s ILE 107 Ca 0.68 -0.08 0.00 0.00 -0.26 0.00 0.00 60.65 60.99 1nug s ILE 107 Cb -0.40 -3.39 0.00 0.00 1.25 0.00 0.00 42.46 39.92 1nug s ILE 107 CO 0.49 -0.39 0.00 0.61 0.24 0.00 0.00 174.94 175.89 1nug n GLY 108 N -2.58 0.67 3.70 6.27 0.00 0.44 -4.87 105.19 108.81 1nug n GLY 108 Ca 0.05 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.57 1nug n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nug s ARG 109 N -1.01 4.35 0.26 1.61 0.52 -1.26 -0.86 118.95 122.57 1nug s ARG 109 Ca 0.00 0.79 0.11 0.00 -0.52 0.00 0.00 55.73 56.12 1nug s ARG 109 Cb 0.00 -3.50 -0.05 0.00 0.52 0.00 0.00 34.95 31.93 1nug s ARG 109 CO 0.00 -0.06 -0.16 0.71 0.02 0.00 0.00 175.30 175.82 1nug s TYR 110 N 1.26 2.40 0.12 -0.53 1.51 -0.14 -4.21 117.35 117.76 1nug s TYR 110 Ca 0.34 -0.30 0.10 0.00 -1.01 0.00 0.00 57.07 56.20 1nug s TYR 110 Cb -0.17 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 1nug s TYR 110 CO 0.15 0.67 -0.25 0.99 -1.11 0.00 0.00 175.55 175.99 1nug s THR 111 N -2.34 2.39 -0.06 -0.71 2.01 0.13 -2.31 115.64 114.75 1nug s THR 111 Ca 0.29 -1.69 0.01 0.00 0.31 0.00 0.00 61.69 60.61 1nug s THR 111 Cb -0.06 -2.07 0.02 0.00 0.01 0.00 0.00 72.50 70.41 1nug s THR 111 CO 0.16 0.10 -0.06 -0.32 -0.69 0.00 0.00 174.62 173.80 1nug s MET 112 N -2.06 1.07 0.26 4.92 1.75 0.41 -1.30 119.30 124.36 1nug s MET 112 Ca 0.15 -0.17 0.06 0.00 -1.25 0.00 0.00 55.69 54.48 1nug s MET 112 Cb -0.10 -1.05 -0.06 0.00 2.84 0.00 0.00 34.83 36.46 1nug s MET 112 CO 0.07 -0.10 -0.05 0.00 -0.65 0.00 0.00 175.02 174.29 1nug s ALA 113 N 1.04 2.19 -0.06 4.11 0.00 0.31 0.91 121.76 130.27 1nug s ALA 113 Ca -0.09 -1.85 0.03 0.00 0.00 0.00 0.00 51.96 50.05 1nug s ALA 113 Cb -0.14 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1nug s ALA 113 CO -0.00 -0.11 -0.15 -1.17 0.00 0.00 0.00 175.76 174.33 1nug s LEU 114 N -3.40 1.80 -0.16 0.00 2.96 0.52 -0.67 118.68 119.72 1nug s LEU 114 Ca 0.29 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.82 1nug s LEU 114 Cb 0.04 -0.91 -0.03 0.00 0.50 0.00 0.00 46.19 45.79 1nug s LEU 114 CO 0.11 0.09 -0.01 -1.58 -1.32 0.00 0.00 176.35 173.64 1nug s GLN 115 N 0.37 3.76 -0.11 1.98 0.74 0.42 -1.67 119.66 125.14 1nug s GLN 115 Ca -0.10 -0.47 0.02 0.00 0.05 0.00 0.00 55.36 54.86 1nug s GLN 115 Cb -0.14 -3.00 -0.01 0.00 1.10 0.00 0.00 33.01 30.96 1nug s GLN 115 CO 0.03 0.25 -0.19 0.42 -0.55 0.00 0.00 175.29 175.25 1nug s ILE 116 N 0.36 2.52 -0.39 -2.34 1.01 0.18 -0.91 121.20 121.63 1nug s ILE 116 Ca -0.02 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 1nug s ILE 116 Cb -0.14 -2.01 0.06 0.00 0.01 0.00 0.00 42.46 40.38 1nug s ILE 116 CO 0.02 0.55 0.20 -0.36 0.00 0.00 0.00 174.94 175.35 1nug s PHE 117 N 0.29 3.30 -0.15 3.97 0.08 -0.17 -1.20 117.98 124.09 1nug s PHE 117 Ca -0.14 -1.38 -0.13 0.00 0.12 0.00 0.00 56.93 55.41 1nug s PHE 117 Cb -0.17 -2.65 0.04 0.00 -0.57 0.00 0.00 43.02 39.67 1nug s PHE 117 CO 0.07 -0.77 0.39 0.45 -0.10 0.00 0.00 175.22 175.26 1nug s SER 118 N 1.78 -0.42 -1.63 1.36 0.15 -0.97 -1.90 113.70 112.07 1nug s SER 118 Ca 0.02 0.79 -0.16 0.00 0.70 0.00 0.00 55.95 57.30 1nug s SER 118 Cb -0.21 0.78 0.12 0.00 -1.71 0.00 0.00 66.02 65.01 1nug s SER 118 CO 0.03 -0.14 0.84 0.00 1.20 0.00 0.00 173.24 175.17 1nug n GLN 119 N 3.09 -4.02 -0.95 5.44 6.02 -1.26 -1.47 117.38 124.24 1nug n GLN 119 Ca -0.15 0.45 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 1nug n GLN 119 Cb 0.57 -5.20 0.00 0.00 1.02 0.00 0.00 30.24 26.62 1nug n GLN 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nug n GLY 120 N -1.54 0.71 3.16 1.08 0.00 -1.26 -5.03 105.19 102.31 1nug n GLY 120 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1nug n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nug n GLY 121 N -2.57 3.43 2.79 -0.02 0.00 -0.54 -5.15 105.19 103.13 1nug n GLY 121 Ca 0.00 -2.19 -0.21 0.00 0.00 0.00 0.00 46.02 43.62 1nug n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nug s ILE 122 N -2.85 0.29 0.30 -0.61 1.01 -1.26 -2.29 121.20 115.80 1nug s ILE 122 Ca 0.12 0.12 0.10 0.00 0.00 0.00 0.00 60.65 60.99 1nug s ILE 122 Cb 0.01 -0.43 -0.05 0.00 0.01 0.00 0.00 42.46 42.00 1nug s ILE 122 CO 0.08 0.22 -0.08 -0.94 0.00 0.00 0.00 174.94 174.23 1nug s SER 123 N 1.61 4.01 -0.10 3.58 1.04 -0.34 -4.95 113.70 118.55 1nug s SER 123 Ca -0.01 -0.95 -0.10 0.00 0.48 0.00 0.00 55.95 55.37 1nug s SER 123 Cb -0.13 -0.51 0.03 0.00 0.10 0.00 0.00 66.02 65.51 1nug s SER 123 CO -0.03 -0.09 0.29 -0.55 0.98 0.00 0.00 173.24 173.84 1nug s SER 124 N -3.63 -0.29 -0.14 7.02 0.15 -1.26 -0.65 113.70 114.90 1nug s SER 124 Ca 0.32 0.54 -0.12 0.00 0.70 0.00 0.00 55.95 57.39 1nug s SER 124 Cb -0.03 0.57 0.04 0.00 -1.71 0.00 0.00 66.02 64.89 1nug s SER 124 CO 0.18 -0.13 0.37 0.54 1.20 0.00 0.00 173.24 175.40 1nug s VAL 125 N 0.02 -0.00 0.07 4.45 0.11 -0.67 -4.99 120.40 119.39 1nug s VAL 125 Ca -0.01 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 1nug s VAL 125 Cb -0.02 -0.52 -0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1nug s VAL 125 CO 0.01 0.01 1.08 -0.75 -3.33 0.00 0.00 175.10 172.12 1nug s LYS 126 N 0.34 4.53 -0.17 1.54 2.20 -1.26 -0.36 119.74 126.57 1nug s LYS 126 Ca -0.01 1.62 -0.15 0.00 -0.36 0.00 0.00 55.97 57.07 1nug s LYS 126 Cb -0.03 -3.37 -0.10 0.00 -1.51 0.00 0.00 37.83 32.81 1nug s LYS 126 CO -0.01 -0.07 0.03 -0.07 -0.36 0.00 0.00 175.35 174.87 1nug h LEU 127 N 6.31 0.00 0.00 5.43 3.38 0.21 -3.47 115.31 127.17 1nug h LEU 127 Ca -0.42 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1nug h LEU 127 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1nug h LEU 127 CO 0.76 1.06 0.00 0.61 0.09 0.00 0.00 178.44 180.96 1nug n GLY 128 N 1.55 -0.86 3.31 0.83 0.00 -0.95 -5.01 105.19 104.05 1nug n GLY 128 Ca -0.17 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 1nug n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nug s THR 129 N -3.00 1.42 0.23 2.61 -4.23 -1.26 -0.44 115.64 110.96 1nug s THR 129 Ca 0.00 -2.13 -0.18 0.00 -1.18 0.00 0.00 61.69 58.20 1nug s THR 129 Cb 0.00 -2.00 0.02 0.00 1.34 0.00 0.00 72.50 71.86 1nug s THR 129 CO 0.00 -0.63 0.58 0.72 -0.54 0.00 0.00 174.62 174.75 1nug s PHE 130 N -3.17 -0.08 -0.13 3.99 -0.71 -0.98 -4.62 117.98 112.28 1nug s PHE 130 Ca 0.21 -0.29 -0.01 0.00 -1.04 0.00 0.00 56.93 55.80 1nug s PHE 130 Cb 0.01 0.46 -0.02 0.00 -1.21 0.00 0.00 43.02 42.26 1nug s PHE 130 CO 0.04 -1.01 -0.10 0.42 -1.34 0.00 0.00 175.22 173.23 1nug s ILE 131 N -3.90 3.37 -0.16 -4.49 1.01 0.12 -0.96 121.20 116.19 1nug s ILE 131 Ca 0.11 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.19 1nug s ILE 131 Cb -0.02 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 1nug s ILE 131 CO 0.01 0.53 -0.09 -0.22 0.00 0.00 0.00 174.94 175.17 1nug s LEU 132 N 0.15 2.88 0.51 2.97 0.20 -0.04 0.11 118.68 125.46 1nug s LEU 132 Ca -0.05 -0.30 0.02 0.00 0.69 0.00 0.00 54.13 54.49 1nug s LEU 132 Cb -0.14 -1.68 -0.01 0.00 -0.43 0.00 0.00 46.19 43.92 1nug s LEU 132 CO 0.04 0.12 0.05 -0.76 -0.29 0.00 0.00 176.35 175.51 1nug s LEU 133 N 0.65 2.37 0.58 -0.68 1.43 0.15 -0.42 118.68 122.76 1nug s LEU 133 Ca -0.05 -1.59 -0.17 0.00 -1.03 0.00 0.00 54.13 51.29 1nug s LEU 133 Cb -0.15 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 1nug s LEU 133 CO 0.02 -0.86 1.09 -0.36 0.23 0.00 0.00 176.35 176.47 1nug s PHE 134 N -2.86 2.80 -0.55 0.29 0.08 -0.77 -1.53 117.98 115.45 1nug s PHE 134 Ca 0.10 1.54 0.03 0.00 0.12 0.00 0.00 56.93 58.72 1nug s PHE 134 Cb 0.01 -3.14 0.14 0.00 -0.57 0.00 0.00 43.02 39.46 1nug s PHE 134 CO 0.06 -1.35 0.30 1.21 -0.10 0.00 0.00 175.22 175.34 1nug s ASN 135 N -2.29 4.51 0.00 1.36 3.84 -1.26 -4.66 114.94 116.44 1nug s ASN 135 Ca 0.68 -3.02 0.15 0.00 0.21 0.00 0.00 52.86 50.88 1nug s ASN 135 Cb -0.20 -1.68 0.73 0.00 -0.55 0.00 0.00 41.25 39.55 1nug s ASN 135 CO 0.32 -0.25 1.42 -2.65 -2.79 0.00 0.00 177.10 173.15 1nug n PRO 136 N 3.14 0.18 0.02 0.43 -0.02 -1.26 -2.11 135.00 135.37 1nug n PRO 136 Ca 0.06 0.16 0.01 0.00 -2.02 0.00 0.00 63.50 61.71 1nug n PRO 136 Cb 0.33 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.22 1nug n PRO 136 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1nug n TRP 137 N -1.32 0.80 -2.76 6.00 8.01 -1.26 -1.30 117.44 125.61 1nug n TRP 137 Ca 0.06 0.26 -0.42 0.00 -1.31 0.00 0.00 57.50 56.09 1nug n TRP 137 Cb 0.13 -1.02 -0.03 0.00 -2.01 0.00 0.00 31.31 28.37 1nug n TRP 137 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.69 175.51 1nug s LEU 138 N -5.61 4.11 0.46 -0.99 0.20 -0.90 -4.93 118.68 111.01 1nug s LEU 138 Ca -0.04 1.26 0.11 0.00 0.69 0.00 0.00 54.13 56.15 1nug s LEU 138 Cb 0.09 -3.40 1.04 0.00 -0.43 0.00 0.00 46.19 43.49 1nug s LEU 138 CO 0.82 -0.58 2.10 -0.55 -0.29 0.00 0.00 176.35 177.85 1nug h ASN 139 N 7.49 0.26 1.38 3.68 -1.07 -1.89 -2.19 115.58 123.24 1nug h ASN 139 Ca -0.22 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.14 1nug h ASN 139 Cb 1.08 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 37.27 1nug h ASN 139 CO 0.92 0.19 -0.11 1.33 0.07 0.00 0.00 177.43 179.84 1nug n VAL 140 N -4.50 0.57 -2.35 6.14 0.24 -1.26 -4.81 118.33 112.35 1nug n VAL 140 Ca 0.01 -0.29 -0.41 0.00 -2.04 0.00 0.00 64.34 61.61 1nug n VAL 140 Cb 0.08 -0.51 -0.03 0.00 -1.47 0.00 0.00 33.84 31.91 1nug n VAL 140 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1nug s ASP 141 N -4.51 7.08 0.58 -1.34 3.68 -0.82 -4.90 116.67 116.44 1nug s ASP 141 Ca 0.10 2.33 0.28 0.00 2.13 0.00 0.00 52.55 57.39 1nug s ASP 141 Cb 0.12 -2.62 1.71 0.00 -1.45 0.00 0.00 42.92 40.69 1nug s ASP 141 CO 0.62 -0.33 2.19 0.77 0.13 0.00 0.00 175.17 178.54 1nug h SER 142 N 4.53 0.00 -0.44 -0.34 4.64 -1.87 -0.36 113.55 119.71 1nug h SER 142 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1nug h SER 142 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1nug h SER 142 CO 0.71 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 178.00 1nug n VAL 143 N -3.90 0.89 -1.66 0.95 0.24 -1.26 -1.30 118.33 112.29 1nug n VAL 143 Ca -0.01 -0.68 -0.46 0.00 -2.04 0.00 0.00 64.34 61.15 1nug n VAL 143 Cb 0.18 0.15 -0.03 0.00 -1.47 0.00 0.00 33.84 32.66 1nug n VAL 143 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1nug n PHE 144 N 0.75 2.03 -3.67 6.34 7.35 -0.15 -4.39 117.46 125.73 1nug n PHE 144 Ca 0.16 0.46 -0.29 0.00 -0.76 0.00 0.00 57.45 57.02 1nug n PHE 144 Cb 0.50 -2.44 -0.15 0.00 0.35 0.00 0.00 39.48 37.74 1nug n PHE 144 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 1nug s MET 145 N -0.28 0.50 0.30 -4.13 -2.45 -0.42 -4.90 119.30 107.91 1nug s MET 145 Ca 0.70 -0.70 0.00 0.00 -1.25 0.00 0.00 55.69 54.45 1nug s MET 145 Cb -0.69 -1.74 0.46 0.00 1.25 0.00 0.00 34.83 34.11 1nug s MET 145 CO 0.49 -0.90 1.84 0.78 1.05 0.00 0.00 175.02 178.28 1nug h GLY 146 N 8.24 0.80 -4.18 2.11 0.00 -1.94 -3.44 103.07 104.66 1nug h GLY 146 Ca -0.16 -0.46 -0.52 0.00 0.00 0.00 0.00 47.33 46.19 1nug h GLY 146 CO 0.42 0.43 0.50 0.21 0.00 0.00 0.00 176.54 178.10 1nug s ASN 147 N -6.62 7.21 0.03 0.19 3.84 -1.26 -4.98 114.94 113.35 1nug s ASN 147 Ca -0.09 2.07 -0.29 0.00 0.21 0.00 0.00 52.86 54.76 1nug s ASN 147 Cb 0.15 -2.60 -0.17 0.00 -0.55 0.00 0.00 41.25 38.09 1nug s ASN 147 CO 0.79 -0.29 1.35 -0.74 -2.79 0.00 0.00 177.10 175.42 1nug h HIS 148 N 5.51 -0.73 -0.88 0.43 -0.00 -1.99 -2.15 115.15 115.34 1nug h HIS 148 Ca -0.44 -0.02 0.07 0.00 -0.00 0.00 0.00 60.37 59.98 1nug h HIS 148 Cb 1.21 0.24 -0.06 0.00 -0.00 0.00 0.00 27.41 28.80 1nug h HIS 148 CO 0.64 -0.40 0.55 0.00 -0.00 0.00 0.00 177.93 178.72 1nug h ALA 149 N -0.70 1.23 0.05 5.26 0.00 -1.99 -1.10 119.26 122.01 1nug h ALA 149 Ca -0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1nug h ALA 149 Cb 0.66 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1nug h ALA 149 CO 0.13 0.28 -0.02 0.93 0.00 0.00 0.00 179.25 180.57 1nug h GLU 150 N 0.99 -0.06 -0.78 0.00 5.08 -1.98 -2.34 114.58 115.49 1nug h GLU 150 Ca 0.39 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.84 1nug h GLU 150 Cb 0.20 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1nug h GLU 150 CO -0.18 0.25 0.51 -0.09 -1.00 0.00 0.00 179.01 178.49 1nug h ARG 151 N -0.37 0.74 -0.46 2.33 2.43 -1.10 0.21 114.38 118.15 1nug h ARG 151 Ca -0.01 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1nug h ARG 151 Cb 0.34 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1nug h ARG 151 CO 0.01 0.49 0.08 0.93 -1.51 0.00 0.00 179.97 179.97 1nug h GLU 152 N 0.76 0.75 -0.15 0.20 4.39 -1.08 -0.68 114.58 118.77 1nug h GLU 152 Ca 0.35 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.77 1nug h GLU 152 Cb 0.36 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1nug h GLU 152 CO -0.13 0.77 -0.20 1.49 -1.16 0.00 0.00 179.01 179.78 1nug h GLU 153 N 0.62 0.41 -0.00 2.33 4.57 -0.72 0.17 114.58 121.95 1nug h GLU 153 Ca 0.14 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1nug h GLU 153 Cb 0.37 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1nug h GLU 153 CO 0.01 0.81 -0.06 0.66 -1.18 0.00 0.00 179.01 179.24 1nug n TYR 154 N -4.49 0.00 0.04 0.92 4.01 0.64 -3.76 117.16 114.52 1nug n TYR 154 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1nug n TYR 154 Cb 0.40 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1nug n TYR 154 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1nug n VAL 155 N -0.81 0.19 1.05 -0.72 0.31 -0.27 -1.88 118.33 116.21 1nug n VAL 155 Ca 0.17 0.06 0.13 0.00 -0.01 0.00 0.00 64.34 64.69 1nug n VAL 155 Cb 0.25 -0.97 0.39 0.00 -0.91 0.00 0.00 33.84 32.60 1nug n VAL 155 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nug n GLN 156 N -2.99 0.11 -2.91 5.55 1.13 -0.50 -4.78 117.38 113.00 1nug n GLN 156 Ca 0.00 -0.05 -0.41 0.00 -1.94 0.00 0.00 57.00 54.60 1nug n GLN 156 Cb 0.15 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 28.96 1nug n GLN 156 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1nug s GLU 157 N -2.92 4.35 0.00 -1.09 2.56 -0.07 -4.92 118.70 116.61 1nug s GLU 157 Ca 0.14 1.01 0.16 0.00 0.00 0.00 0.00 54.97 56.29 1nug s GLU 157 Cb 0.18 -3.53 0.32 0.00 2.00 0.00 0.00 34.13 33.10 1nug s GLU 157 CO 0.62 -0.21 1.23 -0.40 -0.56 0.00 0.00 175.26 175.94 1nug n ASP 158 N 4.77 2.96 -4.24 -1.70 5.75 -1.26 -4.91 116.55 117.92 1nug n ASP 158 Ca 0.03 -1.87 -0.29 0.00 -0.01 0.00 0.00 54.79 52.65 1nug n ASP 158 Cb 0.50 -0.20 -0.16 0.00 -1.03 0.00 0.00 41.12 40.23 1nug n ASP 158 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nug s ALA 159 N -1.16 1.89 0.33 2.12 0.00 -1.26 -1.17 121.76 122.51 1nug s ALA 159 Ca 0.28 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1nug s ALA 159 Cb 0.16 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 1nug s ALA 159 CO 0.22 0.42 0.37 0.20 0.00 0.00 0.00 175.76 176.97 1nug s GLY 160 N -0.33 1.87 -0.03 0.00 0.00 -0.12 -4.93 107.32 103.78 1nug s GLY 160 Ca 0.03 -1.78 0.03 0.00 0.00 0.00 0.00 44.72 43.00 1nug s GLY 160 CO 0.01 -1.23 -0.11 -0.42 0.00 0.00 0.00 173.10 171.35 1nug s ILE 161 N -3.29 0.90 -0.12 0.90 1.09 -1.26 -1.52 121.20 117.90 1nug s ILE 161 Ca 0.36 -0.43 0.01 0.00 -1.10 0.00 0.00 60.65 59.49 1nug s ILE 161 Cb 0.01 -0.79 0.02 0.00 -1.06 0.00 0.00 42.46 40.64 1nug s ILE 161 CO 0.23 0.27 -0.14 -0.63 -0.10 0.00 0.00 174.94 174.58 1nug s ILE 162 N 0.13 1.49 0.21 2.92 1.01 -0.56 -4.39 121.20 122.00 1nug s ILE 162 Ca -0.03 -0.61 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 1nug s ILE 162 Cb -0.09 -1.38 -0.08 0.00 0.01 0.00 0.00 42.46 40.92 1nug s ILE 162 CO 0.01 0.44 0.97 -0.36 0.00 0.00 0.00 174.94 176.00 1nug s PHE 163 N 1.24 3.89 0.00 3.97 0.40 -1.26 -1.43 117.98 124.79 1nug s PHE 163 Ca -0.01 1.85 0.00 0.00 -0.60 0.00 0.00 56.93 58.17 1nug s PHE 163 Cb -0.14 -3.04 0.00 0.00 0.51 0.00 0.00 43.02 40.35 1nug s PHE 163 CO -0.06 0.25 0.00 1.33 0.70 0.00 0.00 175.22 177.44 1nug n VAL 164 N 1.84 0.00 0.00 -0.44 0.24 -0.15 -4.80 118.33 115.02 1nug n VAL 164 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1nug n VAL 164 Cb 0.47 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 1nug n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nug n GLY 165 N 0.00 0.92 3.29 7.63 0.00 -1.26 -0.01 105.19 115.76 1nug n GLY 165 Ca 0.00 -1.29 -0.08 0.00 0.00 0.00 0.00 46.02 44.65 1nug n GLY 165 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nug n SER 166 N 0.00 -1.98 0.12 1.61 3.41 -0.69 -4.65 113.62 111.44 1nug n SER 166 Ca 0.00 -2.41 0.11 0.00 -0.26 0.00 0.00 58.87 56.31 1nug n SER 166 Cb 0.00 3.32 0.48 0.00 -0.26 0.00 0.00 64.21 67.74 1nug n SER 166 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1nug n THR 167 N -0.47 0.84 0.22 6.66 -1.04 -1.26 -2.31 114.28 116.92 1nug n THR 167 Ca -0.07 0.24 0.11 0.00 -2.04 0.00 0.00 64.05 62.28 1nug n THR 167 Cb 0.52 -1.15 -0.10 0.00 -1.82 0.00 0.00 70.33 67.78 1nug n THR 167 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1nug n ASN 168 N -2.18 0.37 -3.21 8.00 3.02 -1.26 -4.80 115.26 115.19 1nug n ASN 168 Ca 0.02 -0.09 -0.01 0.00 -0.03 0.00 0.00 54.58 54.47 1nug n ASN 168 Cb 0.22 1.41 -0.02 0.00 -0.61 0.00 0.00 39.78 40.78 1nug n ASN 168 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1nug s ARG 169 N -3.38 0.68 -0.24 3.52 0.52 -0.98 -5.13 118.95 113.95 1nug s ARG 169 Ca -0.03 -0.03 -0.28 0.00 -0.52 0.00 0.00 55.73 54.87 1nug s ARG 169 Cb 0.14 0.03 0.01 0.00 0.52 0.00 0.00 34.95 35.64 1nug s ARG 169 CO 0.87 -1.13 1.00 0.42 0.02 0.00 0.00 175.30 176.47 1nug s ILE 170 N 2.18 4.70 0.10 1.52 1.01 -1.14 -1.70 121.20 127.87 1nug s ILE 170 Ca 0.14 1.92 0.01 0.00 0.00 0.00 0.00 60.65 62.72 1nug s ILE 170 Cb -0.08 -4.28 0.01 0.00 0.01 0.00 0.00 42.46 38.12 1nug s ILE 170 CO -0.15 -0.18 0.05 0.61 0.00 0.00 0.00 174.94 175.28 1nug n GLY 171 N 3.44 3.30 3.30 6.18 0.00 0.99 -4.95 105.19 117.44 1nug n GLY 171 Ca 0.11 -2.21 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 1nug n GLY 171 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1nug s MET 172 N -2.40 1.04 -0.05 1.61 0.23 -1.26 -0.98 119.30 117.49 1nug s MET 172 Ca 0.04 -0.83 -0.04 0.00 -1.03 0.00 0.00 55.69 53.83 1nug s MET 172 Cb -0.00 0.43 0.01 0.00 -1.53 0.00 0.00 34.83 33.74 1nug s MET 172 CO 0.03 -0.39 0.12 0.96 -2.03 0.00 0.00 175.02 173.71 1nug s ILE 173 N -3.84 -0.01 0.45 3.16 -4.36 -0.52 -4.90 121.20 111.19 1nug s ILE 173 Ca 0.05 0.02 -0.23 0.00 -0.26 0.00 0.00 60.65 60.24 1nug s ILE 173 Cb 0.03 -0.18 -0.08 0.00 1.25 0.00 0.00 42.46 43.47 1nug s ILE 173 CO -0.10 0.01 1.09 -0.83 0.24 0.00 0.00 174.94 175.35 1nug s GLY 174 N 0.20 2.69 -0.03 6.27 0.00 -1.26 -1.50 107.32 113.69 1nug s GLY 174 Ca -0.01 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.47 1nug s GLY 174 CO -0.01 1.17 0.01 0.86 0.00 0.00 0.00 173.10 175.13 1nug s TRP 175 N -1.70 0.23 -0.50 1.90 -0.11 -0.57 -4.80 118.94 113.39 1nug s TRP 175 Ca 0.63 0.05 -0.20 0.00 1.22 0.00 0.00 56.10 57.79 1nug s TRP 175 Cb -0.23 -0.38 0.05 0.00 -1.50 0.00 0.00 33.47 31.41 1nug s TRP 175 CO 0.28 -0.13 0.68 1.21 -4.62 0.00 0.00 176.95 174.37 1nug s ASN 176 N 1.13 6.26 0.11 5.86 2.47 0.04 -0.95 114.94 129.86 1nug s ASN 176 Ca -0.08 -0.71 -0.11 0.00 0.42 0.00 0.00 52.86 52.37 1nug s ASN 176 Cb -0.13 -2.32 -0.15 0.00 -1.45 0.00 0.00 41.25 37.20 1nug s ASN 176 CO -0.02 -0.92 1.30 -0.26 -3.72 0.00 0.00 177.10 173.47 1nug h PHE 177 N 9.02 1.00 -7.02 0.43 0.05 -1.48 -0.04 116.94 118.90 1nug h PHE 177 Ca -0.27 -0.47 -0.60 0.00 3.82 0.00 0.00 57.97 60.45 1nug h PHE 177 Cb 1.09 -0.14 -0.24 0.00 2.00 0.00 0.00 35.95 38.66 1nug h PHE 177 CO 0.77 1.29 -0.93 0.41 -0.18 0.00 0.00 178.31 179.67 1nug n GLY 178 N 0.78 -0.23 0.25 -1.45 0.00 -0.90 -4.42 105.19 99.22 1nug n GLY 178 Ca -0.08 0.14 0.17 0.00 0.00 0.00 0.00 46.02 46.25 1nug n GLY 178 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1nug h GLN 179 N -1.54 0.00 -0.01 1.61 -0.00 -1.88 -2.35 115.11 110.95 1nug h GLN 179 Ca -0.64 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.01 1nug h GLN 179 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.87 1nug h GLN 179 CO 0.75 0.00 -0.51 1.19 -0.00 0.00 0.00 178.83 180.26 1nug n PHE 180 N -2.88 0.00 -1.13 0.06 3.72 -1.26 -4.14 117.46 111.83 1nug n PHE 180 Ca 0.00 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.08 1nug n PHE 180 Cb 0.24 -0.12 0.12 0.00 -0.94 0.00 0.00 39.48 38.78 1nug n PHE 180 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1nug s GLU 181 N -2.75 1.76 0.07 -1.08 0.41 -0.89 -0.97 118.70 115.25 1nug s GLU 181 Ca 0.16 1.54 -0.36 0.00 -0.41 0.00 0.00 54.97 55.90 1nug s GLU 181 Cb 0.18 -1.81 -0.15 0.00 -1.78 0.00 0.00 34.13 30.57 1nug s GLU 181 CO 0.65 -2.08 1.52 -1.91 -0.49 0.00 0.00 175.26 172.95 1nug n GLU 182 N -3.46 1.64 -0.08 1.61 4.07 -1.26 -2.36 120.64 120.80 1nug n GLU 182 Ca 0.12 0.59 0.00 0.00 -0.06 0.00 0.00 57.16 57.81 1nug n GLU 182 Cb 0.52 -2.31 0.00 0.00 -0.06 0.00 0.00 31.44 29.59 1nug n GLU 182 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1nug n ASP 183 N 3.50 0.00 0.02 4.31 4.64 -1.26 -4.87 116.55 122.89 1nug n ASP 183 Ca 0.19 0.00 -0.13 0.00 -1.38 0.00 0.00 54.79 53.47 1nug n ASP 183 Cb 0.23 -0.73 -0.08 0.00 -1.04 0.00 0.00 41.12 39.50 1nug n ASP 183 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1nug h ILE 184 N 0.00 1.15 -0.47 5.18 1.08 -1.78 -0.56 117.51 122.12 1nug h ILE 184 Ca 0.00 -0.49 0.03 0.00 -0.39 0.00 0.00 64.86 64.01 1nug h ILE 184 Cb 0.00 1.48 -0.04 0.00 -3.07 0.00 0.00 36.82 35.19 1nug h ILE 184 CO 0.00 0.13 0.25 0.25 -0.69 0.00 0.00 178.15 178.09 1nug h LEU 185 N -0.23 0.38 -0.23 1.44 5.85 -1.76 0.18 115.31 120.94 1nug h LEU 185 Ca -0.00 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1nug h LEU 185 Cb 0.23 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1nug h LEU 185 CO 0.00 0.27 -0.11 -1.28 -0.34 0.00 0.00 178.44 176.98 1nug h SER 186 N 0.50 -0.37 -0.52 1.25 0.87 -1.90 0.78 113.55 114.15 1nug h SER 186 Ca 0.20 0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.86 1nug h SER 186 Cb 0.07 0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1nug h SER 186 CO -0.12 -0.14 0.34 0.40 -0.53 0.00 0.00 176.83 176.77 1nug h ILE 187 N -0.08 1.11 -0.45 2.23 2.04 -0.57 0.92 117.51 122.71 1nug h ILE 187 Ca 0.12 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1nug h ILE 187 Cb 0.27 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1nug h ILE 187 CO -0.28 0.12 0.15 0.00 0.00 0.00 0.00 178.15 178.15 1nug h LEU 189 N 0.64 1.01 -1.83 0.00 3.38 -0.10 -3.02 115.31 115.39 1nug h LEU 189 Ca 0.15 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1nug h LEU 189 Cb 0.17 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1nug h LEU 189 CO -0.01 1.17 -0.14 0.77 0.09 0.00 0.00 178.44 180.32 1nug h SER 190 N 0.86 0.00 -0.90 -0.43 4.64 0.61 -2.70 113.55 115.64 1nug h SER 190 Ca 0.12 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.53 1nug h SER 190 Cb 0.77 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.79 1nug h SER 190 CO 0.06 0.14 0.54 0.40 -0.87 0.00 0.00 176.83 177.11 1nug h ILE 191 N 0.00 0.95 0.00 0.95 2.04 -1.13 -0.65 117.51 119.66 1nug h ILE 191 Ca -0.00 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1nug h ILE 191 Cb 0.32 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1nug h ILE 191 CO 0.02 0.17 -0.11 -0.07 0.00 0.00 0.00 178.15 178.15 1nug h LEU 192 N 0.91 0.00 -1.77 1.44 3.38 -1.62 -0.57 115.31 117.08 1nug h LEU 192 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1nug h LEU 192 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1nug h LEU 192 CO -0.24 0.11 0.00 0.47 0.09 0.00 0.00 178.44 178.88 1nug n ASP 193 N -4.02 2.61 0.00 -0.43 8.00 -0.27 -3.80 116.55 118.63 1nug n ASP 193 Ca -0.02 -2.16 0.00 0.00 0.71 0.00 0.00 54.79 53.31 1nug n ASP 193 Cb 0.20 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1nug n ASP 193 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1nug n ARG 194 N 0.56 0.69 -0.99 -1.24 5.12 -0.27 -4.92 116.66 115.62 1nug n ARG 194 Ca 0.14 -0.14 -0.29 0.00 -1.93 0.00 0.00 57.85 55.63 1nug n ARG 194 Cb 0.48 -0.55 0.20 0.00 -1.16 0.00 0.00 32.46 31.42 1nug n ARG 194 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1nug s SER 195 N -0.14 2.13 0.23 0.55 1.04 -0.90 -4.87 113.70 111.74 1nug s SER 195 Ca 0.00 1.29 0.03 0.00 0.48 0.00 0.00 55.95 57.75 1nug s SER 195 Cb 0.00 -1.99 0.23 0.00 0.10 0.00 0.00 66.02 64.36 1nug s SER 195 CO 0.00 -3.45 1.55 -0.07 0.98 0.00 0.00 173.24 172.25 1nug h LEU 196 N -2.11 0.32 -0.23 2.42 3.38 -1.93 -2.58 115.31 114.58 1nug h LEU 196 Ca -0.57 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.20 1nug h LEU 196 Cb 1.33 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1nug h LEU 196 CO 0.55 0.84 0.05 0.78 0.09 0.00 0.00 178.44 180.75 1nug h ASN 197 N 0.21 0.35 -0.79 -0.43 2.35 -1.94 -2.31 115.58 113.03 1nug h ASN 197 Ca -0.00 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.47 1nug h ASN 197 Cb 1.11 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 39.35 1nug h ASN 197 CO 0.10 0.50 0.37 0.15 -1.65 0.00 0.00 177.43 176.90 1nug h PHE 198 N 0.19 1.15 0.00 1.19 3.04 -1.79 -1.99 116.94 118.72 1nug h PHE 198 Ca 0.07 -0.06 -0.08 0.00 3.98 0.00 0.00 57.97 61.88 1nug h PHE 198 Cb 0.29 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 1nug h PHE 198 CO 0.01 0.84 -0.40 0.00 -2.02 0.00 0.00 178.31 176.74 1nug h ARG 199 N 1.12 0.00 0.02 1.11 3.08 -1.39 -1.28 114.38 117.04 1nug h ARG 199 Ca 0.27 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 1nug h ARG 199 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1nug h ARG 199 CO -0.03 0.40 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.17 1nug h ARG 200 N 0.00 -0.03 -1.88 0.04 2.43 -1.11 -3.43 114.38 110.40 1nug h ARG 200 Ca -0.00 0.00 -0.40 0.00 -0.81 0.00 0.00 59.98 58.77 1nug h ARG 200 Cb 0.79 0.01 -0.30 0.00 -0.42 0.00 0.00 29.97 30.05 1nug h ARG 200 CO 0.05 0.70 -0.75 0.34 -1.51 0.00 0.00 179.97 178.80 1nug s ASP 201 N -5.94 0.66 0.39 -3.80 -1.08 -0.78 -5.00 116.67 101.14 1nug s ASP 201 Ca -0.16 -2.16 0.10 0.00 -0.52 0.00 0.00 52.55 49.81 1nug s ASP 201 Cb -0.01 0.51 0.88 0.00 -1.46 0.00 0.00 42.92 42.83 1nug s ASP 201 CO 0.61 -0.18 1.96 0.00 0.52 0.00 0.00 175.17 178.09 1nug h ALA 202 N 6.07 1.85 0.11 3.66 0.00 -1.41 -1.00 119.26 128.54 1nug h ALA 202 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1nug h ALA 202 Cb 1.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1nug h ALA 202 CO 0.22 0.02 -0.05 0.00 0.00 0.00 0.00 179.25 179.43 1nug h ALA 203 N 1.65 -0.15 -0.30 0.00 0.00 -1.93 -1.67 119.26 116.86 1nug h ALA 203 Ca 0.30 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1nug h ALA 203 Cb 0.41 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1nug h ALA 203 CO -0.10 -0.56 -0.31 1.15 0.00 0.00 0.00 179.25 179.43 1nug h THR 204 N -0.20 1.30 -0.28 0.00 2.02 -1.83 -2.87 112.91 111.05 1nug h THR 204 Ca -0.02 -1.49 0.06 0.00 0.77 0.00 0.00 66.41 65.74 1nug h THR 204 Cb 0.16 1.57 -0.05 0.00 -1.74 0.00 0.00 68.15 68.08 1nug h THR 204 CO 0.02 0.48 -0.06 -0.78 0.37 0.00 0.00 175.52 175.56 1nug h ASP 205 N 0.49 -0.23 -0.46 4.18 3.58 -1.13 0.50 116.42 123.34 1nug h ASP 205 Ca 0.04 0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 1nug h ASP 205 Cb 0.89 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.08 1nug h ASP 205 CO 0.08 -0.08 0.16 0.58 -2.88 0.00 0.00 179.24 177.09 1nug h VAL 206 N 0.02 1.21 0.00 2.25 2.07 -1.32 -1.06 116.25 119.41 1nug h VAL 206 Ca 0.14 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1nug h VAL 206 Cb 0.20 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1nug h VAL 206 CO -0.28 0.27 -0.30 0.00 0.02 0.00 0.00 177.57 177.28 1nug h ALA 207 N 1.43 1.20 -0.00 1.67 0.00 -1.11 -2.42 119.26 120.04 1nug h ALA 207 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1nug h ALA 207 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1nug h ALA 207 CO -0.01 0.37 -0.04 0.43 0.00 0.00 0.00 179.25 180.00 1nug n SER 208 N -3.74 0.06 0.00 0.00 7.64 0.09 -3.91 113.62 113.77 1nug n SER 208 Ca -0.01 0.11 0.02 0.00 1.01 0.00 0.00 58.87 60.00 1nug n SER 208 Cb 0.40 -0.34 0.10 0.00 -1.01 0.00 0.00 64.21 63.35 1nug n SER 208 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nug n ARG 209 N -1.37 0.61 0.00 1.43 1.74 -0.91 -1.93 116.66 116.23 1nug n ARG 209 Ca 0.10 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.30 1nug n ARG 209 Cb 0.30 -1.08 0.06 0.00 -1.02 0.00 0.00 32.46 30.71 1nug n ARG 209 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1nug n ASN 210 N -0.58 1.74 -4.26 0.55 2.04 -1.25 -0.92 115.26 112.57 1nug n ASN 210 Ca 0.02 -1.34 -0.36 0.00 -0.44 0.00 0.00 54.58 52.47 1nug n ASN 210 Cb 0.01 0.46 -0.13 0.00 -2.53 0.00 0.00 39.78 37.59 1nug n ASN 210 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1nug s ASP 211 N -2.54 4.74 0.62 0.53 2.15 -0.81 -4.84 116.67 116.52 1nug s ASP 211 Ca 0.18 -0.83 0.39 0.00 0.43 0.00 0.00 52.55 52.72 1nug s ASP 211 Cb 0.18 -1.77 2.07 0.00 -0.30 0.00 0.00 42.92 43.10 1nug s ASP 211 CO 0.59 -0.17 2.26 1.55 -0.17 0.00 0.00 175.17 179.23 1nug h PRO 212 N 8.11 0.00 -0.26 4.34 0.13 -1.88 -0.95 132.00 141.48 1nug h PRO 212 Ca -0.31 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.74 1nug h PRO 212 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1nug h PRO 212 CO 0.58 0.01 -0.15 0.87 -0.23 0.00 0.00 178.00 179.09 1nug h LYS 213 N 0.00 0.56 0.50 0.86 1.57 -1.93 -0.51 116.57 117.62 1nug h LYS 213 Ca -0.00 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1nug h LYS 213 Cb 0.14 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1nug h LYS 213 CO 0.00 0.83 -0.24 -0.92 -0.57 0.00 0.00 179.45 178.55 1nug h TYR 214 N 0.29 -0.62 -0.68 -1.35 3.20 -1.56 -2.03 116.97 114.23 1nug h TYR 214 Ca 0.06 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.00 1nug h TYR 214 Cb 0.67 0.20 -0.07 0.00 1.54 0.00 0.00 36.73 39.08 1nug h TYR 214 CO 0.06 -0.29 0.34 0.28 -1.64 0.00 0.00 178.16 176.91 1nug h VAL 215 N -0.94 0.86 -0.23 1.81 2.07 -1.28 -0.24 116.25 118.31 1nug h VAL 215 Ca -0.07 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1nug h VAL 215 Cb 0.60 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1nug h VAL 215 CO 0.11 0.11 0.15 1.23 0.02 0.00 0.00 177.57 179.19 1nug h GLY 216 N 0.59 0.33 1.01 2.17 0.00 -1.10 -1.38 103.07 104.69 1nug h GLY 216 Ca 0.33 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 1nug h GLY 216 CO -0.25 0.13 0.32 -0.09 0.00 0.00 0.00 176.54 176.64 1nug h ARG 217 N 0.31 1.01 -0.34 4.80 2.43 -0.72 -1.69 114.38 120.18 1nug h ARG 217 Ca 0.08 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1nug h ARG 217 Cb -0.01 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 1nug h ARG 217 CO -0.02 0.81 0.18 0.28 -1.51 0.00 0.00 179.97 179.71 1nug h VAL 218 N 0.97 1.01 -0.74 0.20 2.07 -0.78 -2.10 116.25 116.89 1nug h VAL 218 Ca 0.24 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 1nug h VAL 218 Cb 0.14 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1nug h VAL 218 CO -0.03 0.07 0.40 -0.07 0.02 0.00 0.00 177.57 177.96 1nug h LEU 219 N 0.38 0.92 -2.13 2.57 3.38 -0.93 -0.02 115.31 119.47 1nug h LEU 219 Ca 0.14 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1nug h LEU 219 Cb 0.02 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1nug h LEU 219 CO -0.08 0.75 -0.00 0.77 0.09 0.00 0.00 178.44 179.97 1nug h SER 220 N 1.04 0.00 0.00 -0.43 4.64 -0.63 -0.89 113.55 117.27 1nug h SER 220 Ca 0.26 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.52 1nug h SER 220 Cb 0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1nug h SER 220 CO -0.04 0.00 -0.35 0.00 -0.87 0.00 0.00 176.83 175.57 1nug h ALA 221 N 2.00 0.07 0.00 5.18 0.00 -0.88 -3.38 119.26 122.24 1nug h ALA 221 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1nug h ALA 221 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1nug h ALA 221 CO 0.00 0.20 0.00 -1.33 0.00 0.00 0.00 179.25 178.12 1nug n MET 222 N -4.58 0.15 0.16 0.00 2.00 -0.14 -2.82 117.12 111.90 1nug n MET 222 Ca -0.15 0.44 0.05 0.00 0.00 0.00 0.00 57.70 58.05 1nug n MET 222 Cb 0.47 -1.83 0.13 0.00 0.00 0.00 0.00 33.22 31.99 1nug n MET 222 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1nug h ILE 223 N 0.00 0.74 -2.92 2.02 1.08 -1.35 -0.24 117.51 116.83 1nug h ILE 223 Ca 0.00 -1.89 -0.62 0.00 -0.39 0.00 0.00 64.86 61.96 1nug h ILE 223 Cb 0.27 2.25 -0.04 0.00 -3.07 0.00 0.00 36.82 36.23 1nug h ILE 223 CO 0.00 0.40 -0.46 0.54 -0.69 0.00 0.00 178.15 177.94 1nug s ASN 224 N -6.39 6.39 0.00 1.72 2.20 -1.13 -0.03 114.94 117.70 1nug s ASN 224 Ca 0.03 0.36 0.29 0.00 -0.94 0.00 0.00 52.86 52.60 1nug s ASN 224 Cb 0.08 -2.00 1.36 0.00 -2.00 0.00 0.00 41.25 38.69 1nug s ASN 224 CO 0.72 0.18 1.96 -1.54 -2.94 0.00 0.00 177.10 175.48 1nug n SER 225 N 0.49 0.00 -4.76 3.54 3.41 0.20 -3.63 113.62 112.87 1nug n SER 225 Ca -0.07 0.13 -0.39 0.00 -0.26 0.00 0.00 58.87 58.29 1nug n SER 225 Cb 0.52 -0.37 0.03 0.00 -0.26 0.00 0.00 64.21 64.12 1nug n SER 225 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1nug s ASN 226 N -2.74 5.52 0.00 4.04 -0.87 -1.26 -3.01 114.94 116.62 1nug s ASN 226 Ca 0.22 2.74 0.00 0.00 -1.57 0.00 0.00 52.86 54.25 1nug s ASN 226 Cb 0.19 -2.64 0.00 0.00 -0.02 0.00 0.00 41.25 38.78 1nug s ASN 226 CO 0.47 -1.40 0.00 0.47 -2.57 0.00 0.00 177.10 174.07 1nug n ASP 227 N -0.76 0.00 -0.62 -1.22 10.43 -1.26 -4.51 116.55 118.60 1nug n ASP 227 Ca 0.09 0.00 -0.00 0.00 2.57 0.00 0.00 54.79 57.44 1nug n ASP 227 Cb 0.45 -0.38 -0.00 0.00 1.84 0.00 0.00 41.12 43.03 1nug n ASP 227 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1nug n ASP 228 N 0.01 -0.00 -3.19 -2.24 5.68 -1.23 -5.00 116.55 110.58 1nug n ASP 228 Ca 0.00 -1.58 -0.22 0.00 -0.50 0.00 0.00 54.79 52.50 1nug n ASP 228 Cb 0.00 -0.08 0.06 0.00 -1.14 0.00 0.00 41.12 39.96 1nug n ASP 228 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1nug n ASN 229 N 0.04 -5.97 -3.02 -1.12 3.02 -1.16 -4.88 115.26 102.16 1nug n ASN 229 Ca -0.02 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 1nug n ASN 229 Cb 0.65 -4.64 0.00 0.00 -0.61 0.00 0.00 39.78 35.18 1nug n ASN 229 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nug n GLY 230 N -1.78 -2.45 0.05 7.41 0.00 -1.22 -4.87 105.19 102.33 1nug n GLY 230 Ca -0.02 -1.40 -0.00 0.00 0.00 0.00 0.00 46.02 44.59 1nug n GLY 230 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nug h VAL 231 N -1.10 0.00 -2.94 1.61 2.07 -0.98 -3.39 116.25 111.52 1nug h VAL 231 Ca 0.00 -0.90 -0.65 0.00 0.82 0.00 0.00 66.70 65.97 1nug h VAL 231 Cb 0.00 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.67 1nug h VAL 231 CO 0.00 0.00 -0.51 -0.76 0.02 0.00 0.00 177.57 176.32 1nug s LEU 232 N -8.06 4.16 -0.23 2.57 1.43 0.95 -1.15 118.68 118.35 1nug s LEU 232 Ca -0.01 0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 1nug s LEU 232 Cb 0.00 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 1nug s LEU 232 CO 0.02 0.34 0.24 0.00 0.23 0.00 0.00 176.35 177.18 1nug s ALA 233 N -0.59 3.59 0.45 4.21 0.00 -0.57 0.59 121.76 129.43 1nug s ALA 233 Ca 0.12 -0.78 -0.15 0.00 0.00 0.00 0.00 51.96 51.15 1nug s ALA 233 Cb -0.12 -2.44 -0.08 0.00 0.00 0.00 0.00 23.12 20.48 1nug s ALA 233 CO 0.02 -0.26 0.88 0.20 0.00 0.00 0.00 175.76 176.60 1nug s GLY 234 N 1.11 2.10 -0.30 0.00 0.00 -1.26 -0.33 107.32 108.63 1nug s GLY 234 Ca 0.11 0.07 -0.09 0.00 0.00 0.00 0.00 44.72 44.82 1nug s GLY 234 CO 0.06 0.31 0.76 0.21 0.00 0.00 0.00 173.10 174.44 1nug s ASN 235 N -2.90 -1.01 -0.25 1.64 3.04 -0.99 -4.82 114.94 109.66 1nug s ASN 235 Ca 0.56 1.06 0.09 0.00 0.04 0.00 0.00 52.86 54.62 1nug s ASN 235 Cb -0.10 2.02 0.44 0.00 -1.54 0.00 0.00 41.25 42.07 1nug s ASN 235 CO 0.27 -0.19 1.20 0.79 -3.04 0.00 0.00 177.10 176.14 1nug n TRP 236 N 5.34 1.32 0.07 0.43 8.01 -1.26 -4.74 117.44 126.61 1nug n TRP 236 Ca -0.08 -1.84 0.04 0.00 -1.31 0.00 0.00 57.50 54.31 1nug n TRP 236 Cb 0.51 -0.29 -0.04 0.00 -2.01 0.00 0.00 31.31 29.48 1nug n TRP 236 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1nug h SER 237 N 1.58 0.00 0.00 -0.99 4.64 -1.99 -3.45 113.55 113.35 1nug h SER 237 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1nug h SER 237 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1nug h SER 237 CO 0.37 0.38 0.00 0.61 -0.87 0.00 0.00 176.83 177.32 1nug n GLY 238 N 1.30 2.67 3.20 -0.77 0.00 -1.26 -5.00 105.19 105.33 1nug n GLY 238 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1nug n GLY 238 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nug s THR 239 N -2.69 2.38 -0.37 2.61 2.01 -1.26 -4.85 115.64 113.47 1nug s THR 239 Ca 0.00 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.20 1nug s THR 239 Cb 0.00 -2.00 0.45 0.00 0.01 0.00 0.00 72.50 70.96 1nug s THR 239 CO 0.00 0.52 1.23 -1.22 -0.69 0.00 0.00 174.62 174.47 1nug n TYR 240 N 4.27 2.98 -1.99 4.92 4.02 -1.26 -5.01 117.16 125.09 1nug n TYR 240 Ca -0.20 -2.53 -0.41 0.00 -0.01 0.00 0.00 57.90 54.76 1nug n TYR 240 Cb 0.51 -0.35 -0.01 0.00 -0.02 0.00 0.00 39.34 39.47 1nug n TYR 240 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1nug s THR 241 N -4.89 2.46 0.00 -0.72 2.01 -1.26 -2.27 115.64 110.96 1nug s THR 241 Ca 0.51 0.46 0.00 0.00 0.31 0.00 0.00 61.69 62.96 1nug s THR 241 Cb 0.41 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.63 1nug s THR 241 CO -0.04 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 1nug n GLY 242 N 0.73 0.55 0.00 4.40 0.00 -1.26 -4.97 105.19 104.64 1nug n GLY 242 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1nug n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nug n GLY 243 N -2.90 1.75 3.75 -0.02 0.00 -0.96 -4.86 105.19 101.96 1nug n GLY 243 Ca 0.00 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 1nug n GLY 243 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nug s ARG 244 N -0.70 3.02 0.11 1.61 0.52 0.25 -4.84 118.95 118.93 1nug s ARG 244 Ca 0.00 -0.47 -0.31 0.00 -0.52 0.00 0.00 55.73 54.43 1nug s ARG 244 Cb 0.00 -2.83 -0.10 0.00 0.52 0.00 0.00 34.95 32.53 1nug s ARG 244 CO 0.00 0.66 1.84 0.34 0.02 0.00 0.00 175.30 178.16 1nug s ASP 245 N -1.52 6.43 0.49 0.23 3.68 -1.26 -1.79 116.67 122.93 1nug s ASP 245 Ca 0.20 2.74 0.34 0.00 2.13 0.00 0.00 52.55 57.96 1nug s ASP 245 Cb -0.12 -2.56 1.46 0.00 -1.45 0.00 0.00 42.92 40.26 1nug s ASP 245 CO 0.11 -1.01 1.70 -0.65 0.13 0.00 0.00 175.17 175.45 1nug h PRO 246 N 8.84 0.10 0.00 4.34 0.11 -1.92 0.48 132.00 143.95 1nug h PRO 246 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1nug h PRO 246 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1nug h PRO 246 CO 0.95 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 178.80 1nug h ARG 247 N 0.10 0.00 0.00 1.05 2.47 -1.90 -3.28 114.38 112.83 1nug h ARG 247 Ca 0.72 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 59.29 1nug h ARG 247 Cb 2.50 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 30.80 1nug h ARG 247 CO -0.18 0.00 -0.68 0.66 0.56 0.00 0.00 179.97 180.33 1nug h SER 248 N 0.00 0.00 -3.22 7.04 4.64 -1.24 -3.46 113.55 117.31 1nug h SER 248 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 1nug h SER 248 Cb 0.72 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.95 1nug h SER 248 CO 0.00 0.68 0.14 0.79 -0.87 0.00 0.00 176.83 177.57 1nug n TRP 249 N -3.53 1.03 0.07 4.77 7.02 -1.24 -4.77 117.44 120.78 1nug n TRP 249 Ca -0.00 0.51 0.01 0.00 -1.02 0.00 0.00 57.50 57.00 1nug n TRP 249 Cb 0.71 -2.20 -0.01 0.00 -2.42 0.00 0.00 31.31 27.39 1nug n TRP 249 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1nug n ASP 250 N 0.15 1.31 -2.95 -0.99 8.00 -1.26 -5.05 116.55 115.76 1nug n ASP 250 Ca 0.10 -0.40 -0.00 0.00 0.71 0.00 0.00 54.79 55.20 1nug n ASP 250 Cb 0.42 1.03 0.01 0.00 -0.02 0.00 0.00 41.12 42.56 1nug n ASP 250 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nug n GLY 251 N 1.41 0.57 0.13 0.44 0.00 -1.26 -0.78 105.19 105.70 1nug n GLY 251 Ca 0.00 -1.06 0.12 0.00 0.00 0.00 0.00 46.02 45.08 1nug n GLY 251 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nug h SER 252 N 1.53 0.00 0.02 1.61 0.02 -1.22 -3.40 113.55 112.11 1nug h SER 252 Ca -0.19 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 60.74 1nug h SER 252 Cb 0.92 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.42 1nug h SER 252 CO 0.26 0.02 -0.21 0.58 -1.14 0.00 0.00 176.83 176.35 1nug h VAL 253 N 0.00 0.51 -0.26 2.27 2.07 -1.77 -1.13 116.25 117.95 1nug h VAL 253 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1nug h VAL 253 Cb 0.93 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1nug h VAL 253 CO 0.00 0.00 -0.24 -0.33 0.02 0.00 0.00 177.57 177.02 1nug h GLU 254 N -0.34 0.50 0.56 1.57 4.39 -1.95 -1.91 114.58 117.39 1nug h GLU 254 Ca 0.05 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 1nug h GLU 254 Cb 0.41 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1nug h GLU 254 CO -0.18 0.70 -0.27 0.82 -1.16 0.00 0.00 179.01 178.93 1nug h ILE 255 N 0.44 0.45 -0.25 3.13 2.04 -1.68 0.18 117.51 121.81 1nug h ILE 255 Ca 0.07 -0.03 -0.08 0.00 1.00 0.00 0.00 64.86 65.81 1nug h ILE 255 Cb 0.66 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1nug h ILE 255 CO 0.05 0.01 -0.18 -0.07 0.00 0.00 0.00 178.15 177.96 1nug h LEU 256 N -0.77 0.42 -0.50 1.44 3.38 -1.20 -0.46 115.31 117.61 1nug h LEU 256 Ca -0.08 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.61 1nug h LEU 256 Cb 0.59 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1nug h LEU 256 CO 0.13 0.62 -0.55 0.11 0.09 0.00 0.00 178.44 178.84 1nug h LYS 257 N 0.40 0.57 -0.37 1.13 1.57 -1.23 -2.53 116.57 116.10 1nug h LYS 257 Ca 0.07 -0.36 -0.14 0.00 -1.87 0.00 0.00 60.65 58.35 1nug h LYS 257 Cb 0.54 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1nug h LYS 257 CO 0.04 0.97 -0.31 -0.91 -0.57 0.00 0.00 179.45 178.67 1nug h ASN 258 N 0.44 0.85 -0.05 0.86 2.35 -0.26 -0.80 115.58 118.97 1nug h ASN 258 Ca 0.01 -0.35 0.02 0.00 -0.55 0.00 0.00 56.30 55.43 1nug h ASN 258 Cb 1.10 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 39.21 1nug h ASN 258 CO 0.10 1.09 -0.09 -0.25 -1.65 0.00 0.00 177.43 176.64 1nug h TRP 259 N 0.69 -0.22 0.65 1.19 7.01 -0.99 0.22 115.95 124.50 1nug h TRP 259 Ca 0.08 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.06 1nug h TRP 259 Cb 0.85 0.11 0.01 0.00 -2.10 0.00 0.00 29.16 28.03 1nug h TRP 259 CO 0.05 -0.14 -0.31 -0.22 -2.79 0.00 0.00 178.44 175.03 1nug h LYS 260 N -0.13 -0.84 -0.96 2.65 3.64 -1.36 -0.12 116.57 119.46 1nug h LYS 260 Ca 0.05 0.06 0.23 0.00 -1.27 0.00 0.00 60.65 59.72 1nug h LYS 260 Cb 0.20 0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.14 1nug h LYS 260 CO -0.13 -0.53 0.64 -0.22 -2.27 0.00 0.00 179.45 176.94 1nug h LYS 261 N -0.97 0.33 -0.29 1.90 3.64 -1.01 -0.09 116.57 120.07 1nug h LYS 261 Ca -0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1nug h LYS 261 Cb 0.70 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1nug h LYS 261 CO 0.15 0.22 0.00 -1.13 -2.27 0.00 0.00 179.45 176.41 1nug n SER 262 N -4.50 1.39 -1.78 4.20 3.41 0.05 -4.88 113.62 111.52 1nug n SER 262 Ca 0.21 -2.03 -0.10 0.00 -0.26 0.00 0.00 58.87 56.69 1nug n SER 262 Cb 0.80 -0.19 0.03 0.00 -0.26 0.00 0.00 64.21 64.59 1nug n SER 262 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nug n GLY 263 N 0.82 0.26 2.33 5.00 0.00 -0.05 -3.32 105.19 110.24 1nug n GLY 263 Ca 0.08 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 1nug n GLY 263 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nug n LEU 264 N -2.37 -1.54 -4.88 0.99 4.77 -0.07 -5.01 117.00 108.89 1nug n LEU 264 Ca -0.01 0.09 -0.30 0.00 -0.03 0.00 0.00 56.01 55.76 1nug n LEU 264 Cb 0.53 -2.28 -0.03 0.00 -2.33 0.00 0.00 43.42 39.31 1nug n LEU 264 CO 0.27 -0.34 0.40 -0.94 -1.33 0.00 0.00 177.39 175.46 1nug s SER 265 N -2.45 6.52 0.28 -1.43 1.04 -1.21 -4.77 113.70 111.68 1nug s SER 265 Ca 0.00 1.07 -0.29 0.00 0.48 0.00 0.00 55.95 57.21 1nug s SER 265 Cb 0.00 -2.30 -0.13 0.00 0.10 0.00 0.00 66.02 63.69 1nug s SER 265 CO 0.00 -0.36 1.23 -2.65 0.98 0.00 0.00 173.24 172.45 1nug n PRO 266 N -1.19 1.79 -3.24 4.02 -0.02 -1.26 -4.74 135.00 130.36 1nug n PRO 266 Ca 0.02 0.63 -0.40 0.00 -2.02 0.00 0.00 63.50 61.73 1nug n PRO 266 Cb 0.54 -2.17 -0.07 0.00 -0.02 0.00 0.00 33.50 31.78 1nug n PRO 266 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nug s VAL 267 N -0.69 5.08 -0.20 -1.45 1.01 -0.30 -4.90 120.40 118.95 1nug s VAL 267 Ca 0.62 0.90 -0.06 0.00 0.00 0.00 0.00 61.98 63.43 1nug s VAL 267 Cb -0.66 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1nug s VAL 267 CO 0.57 0.10 0.04 -0.13 0.00 0.00 0.00 175.10 175.68 1nug s ARG 268 N 2.18 3.76 0.17 2.72 0.52 -1.26 -1.51 118.95 125.53 1nug s ARG 268 Ca 0.22 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 1nug s ARG 268 Cb -0.16 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 1nug s ARG 268 CO 0.09 0.08 0.05 0.71 0.02 0.00 0.00 175.30 176.25 1nug s TYR 269 N 0.86 1.12 0.27 -0.53 2.02 -0.74 0.86 117.35 121.21 1nug s TYR 269 Ca 0.02 -1.17 0.04 0.00 -0.37 0.00 0.00 57.07 55.59 1nug s TYR 269 Cb -0.14 -0.63 -0.06 0.00 -0.40 0.00 0.00 41.96 40.74 1nug s TYR 269 CO 0.02 -0.40 0.00 0.20 -1.57 0.00 0.00 175.55 173.80 1nug s GLY 270 N -3.14 1.75 0.24 0.71 0.00 0.55 -3.93 107.32 103.48 1nug s GLY 270 Ca 0.28 -1.87 0.01 0.00 0.00 0.00 0.00 44.72 43.14 1nug s GLY 270 CO 0.06 -1.74 0.08 1.20 0.00 0.00 0.00 173.10 172.70 1nug s GLN 271 N -3.85 1.33 0.29 2.90 -0.21 -1.26 -2.33 119.66 116.54 1nug s GLN 271 Ca 0.31 -1.71 0.08 0.00 0.02 0.00 0.00 55.36 54.06 1nug s GLN 271 Cb 0.06 -0.21 0.87 0.00 1.00 0.00 0.00 33.01 34.73 1nug s GLN 271 CO 0.11 -0.28 1.38 0.00 -2.12 0.00 0.00 175.29 174.39 1nug h TRP 273 N 0.00 0.00 -0.26 0.00 0.09 -1.98 -1.60 115.95 112.19 1nug h TRP 273 Ca 0.61 0.00 -0.15 0.00 0.09 0.00 0.00 58.89 59.44 1nug h TRP 273 Cb 1.43 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.67 1nug h TRP 273 CO -0.28 0.31 -0.42 0.28 0.09 0.00 0.00 178.44 178.42 1nug h VAL 274 N 0.00 1.30 -0.35 0.12 2.07 -0.43 0.56 116.25 119.53 1nug h VAL 274 Ca -0.00 -1.62 -0.03 0.00 0.82 0.00 0.00 66.70 65.87 1nug h VAL 274 Cb 0.77 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1nug h VAL 274 CO 0.04 0.52 0.11 -0.26 0.02 0.00 0.00 177.57 178.00 1nug h PHE 275 N 0.50 0.55 -0.73 1.57 0.04 -1.29 -1.76 116.94 115.81 1nug h PHE 275 Ca 0.02 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 1nug h PHE 275 Cb 1.02 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.98 1nug h PHE 275 CO 0.08 0.54 0.31 0.00 -0.60 0.00 0.00 178.31 178.64 1nug h ALA 276 N 0.95 0.95 -0.48 2.45 0.00 -1.19 -0.13 119.26 121.81 1nug h ALA 276 Ca 0.11 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1nug h ALA 276 Cb 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1nug h ALA 276 CO -0.00 0.55 -0.21 0.78 0.00 0.00 0.00 179.25 180.36 1nug h GLY 277 N 1.04 1.07 1.00 0.00 0.00 -0.76 -0.57 103.07 104.86 1nug h GLY 277 Ca 0.25 -0.95 -0.10 0.00 0.00 0.00 0.00 47.33 46.52 1nug h GLY 277 CO -0.02 0.86 -0.15 -0.84 0.00 0.00 0.00 176.54 176.39 1nug h THR 278 N 0.85 1.28 -0.45 4.70 2.02 -1.13 -2.38 112.91 117.80 1nug h THR 278 Ca 0.11 -1.27 -0.07 0.00 0.77 0.00 0.00 66.41 65.95 1nug h THR 278 Cb 0.79 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1nug h THR 278 CO 0.07 0.42 -0.00 0.25 0.37 0.00 0.00 175.52 176.63 1nug h LEU 279 N 0.62 0.78 -1.23 2.58 5.85 -0.94 -2.30 115.31 120.67 1nug h LEU 279 Ca 0.10 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.56 1nug h LEU 279 Cb 0.69 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1nug h LEU 279 CO 0.05 0.90 0.54 -1.13 -0.34 0.00 0.00 178.44 178.46 1nug h ASN 280 N 0.65 0.84 -0.26 1.25 -0.00 -1.05 0.18 115.58 117.18 1nug h ASN 280 Ca 0.13 -0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.40 1nug h ASN 280 Cb 0.50 -0.18 -0.01 0.00 -0.00 0.00 0.00 38.32 38.63 1nug h ASN 280 CO 0.02 0.55 0.05 0.74 -0.00 0.00 0.00 177.43 178.79 1nug h THR 281 N 0.96 1.23 -0.10 -3.57 2.02 -1.05 -0.41 112.91 111.98 1nug h THR 281 Ca 0.34 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 1nug h THR 281 Cb 0.14 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1nug h THR 281 CO -0.11 0.24 0.04 0.00 0.37 0.00 0.00 175.52 176.06 1nug h ALA 282 N 0.87 0.13 0.04 6.16 0.00 -0.81 -1.29 119.26 124.36 1nug h ALA 282 Ca 0.08 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1nug h ALA 282 Cb 0.32 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1nug h ALA 282 CO 0.00 -0.30 -0.18 -0.07 0.00 0.00 0.00 179.25 178.71 1nug h LEU 283 N 0.01 -0.50 -0.73 0.00 3.38 -0.59 -2.07 115.31 114.82 1nug h LEU 283 Ca 0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1nug h LEU 283 Cb 0.15 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1nug h LEU 283 CO -0.00 -0.24 0.41 0.03 0.09 0.00 0.00 178.44 178.72 1nug h ARG 284 N -0.31 1.01 -0.14 1.13 3.08 -1.04 -0.41 114.38 117.70 1nug h ARG 284 Ca 0.04 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1nug h ARG 284 Cb 0.36 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1nug h ARG 284 CO -0.14 0.74 -0.07 0.66 -1.07 0.00 0.00 179.97 180.10 1nug h SER 285 N 1.00 0.19 0.26 7.04 4.64 -1.00 -1.44 113.55 124.24 1nug h SER 285 Ca 0.26 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1nug h SER 285 Cb 0.02 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1nug h SER 285 CO -0.04 0.30 -0.09 0.18 -0.87 0.00 0.00 176.83 176.30 1nug n LEU 286 N -4.34 0.60 0.00 5.97 4.77 -0.80 -4.91 117.00 118.28 1nug n LEU 286 Ca -0.01 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1nug n LEU 286 Cb 0.21 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1nug n LEU 286 CO 0.37 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1nug n GLY 287 N 1.24 0.91 3.57 -0.72 0.00 -0.54 -1.85 105.19 107.79 1nug n GLY 287 Ca 0.16 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1nug n GLY 287 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nug s ILE 288 N -2.00 5.05 0.15 -0.61 1.01 -0.19 -4.36 121.20 120.24 1nug s ILE 288 Ca 0.00 0.41 -0.34 0.00 0.00 0.00 0.00 60.65 60.72 1nug s ILE 288 Cb 0.00 -3.92 -0.14 0.00 0.01 0.00 0.00 42.46 38.42 1nug s ILE 288 CO 0.00 -0.14 1.61 -2.65 0.00 0.00 0.00 174.94 173.76 1nug n PRO 289 N 5.66 2.20 -3.75 2.79 -0.02 -1.26 -3.64 135.00 136.98 1nug n PRO 289 Ca -0.05 0.79 -0.10 0.00 -2.02 0.00 0.00 63.50 62.13 1nug n PRO 289 Cb 0.49 -2.58 -0.04 0.00 -0.02 0.00 0.00 33.50 31.35 1nug n PRO 289 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1nug s SER 290 N 1.17 -0.22 0.21 2.55 1.04 -0.79 -0.04 113.70 117.63 1nug s SER 290 Ca 0.80 -0.50 -0.13 0.00 0.48 0.00 0.00 55.95 56.59 1nug s SER 290 Cb -0.67 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1nug s SER 290 CO 0.38 -1.00 0.45 0.00 0.98 0.00 0.00 173.24 174.06 1nug s ARG 291 N -3.87 1.41 -0.21 4.02 1.70 -0.37 -4.60 118.95 117.03 1nug s ARG 291 Ca 0.09 -1.11 -0.10 0.00 -0.47 0.00 0.00 55.73 54.14 1nug s ARG 291 Cb 0.00 0.47 -0.05 0.00 -0.57 0.00 0.00 34.95 34.80 1nug s ARG 291 CO -0.04 -0.58 0.14 0.08 -1.08 0.00 0.00 175.30 173.82 1nug s VAL 292 N -3.96 5.40 -0.08 4.99 1.01 -1.26 -1.23 120.40 125.26 1nug s VAL 292 Ca 0.17 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.36 1nug s VAL 292 Cb 0.00 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1nug s VAL 292 CO 0.03 0.42 -0.15 -0.63 0.00 0.00 0.00 175.10 174.77 1nug s ILE 293 N 0.49 2.90 -0.16 2.22 -1.09 -0.26 -4.33 121.20 120.98 1nug s ILE 293 Ca 0.08 -0.75 0.01 0.00 -2.23 0.00 0.00 60.65 57.76 1nug s ILE 293 Cb -0.11 -2.16 0.01 0.00 -1.58 0.00 0.00 42.46 38.62 1nug s ILE 293 CO -0.01 0.56 -0.20 -0.89 -1.23 0.00 0.00 174.94 173.18 1nug s THR 294 N -0.25 2.17 -0.22 2.92 2.01 0.28 -0.69 115.64 121.86 1nug s THR 294 Ca 0.01 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 61.02 1nug s THR 294 Cb -0.13 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1nug s THR 294 CO 0.03 0.54 0.04 0.21 -0.69 0.00 0.00 174.62 174.74 1nug s ASN 295 N 1.07 5.07 0.03 3.53 3.04 0.60 -1.03 114.94 127.26 1nug s ASN 295 Ca -0.00 -0.17 -0.19 0.00 0.04 0.00 0.00 52.86 52.54 1nug s ASN 295 Cb -0.14 -1.89 -0.06 0.00 -1.54 0.00 0.00 41.25 37.62 1nug s ASN 295 CO -0.07 0.04 0.53 -0.36 -3.04 0.00 0.00 177.10 174.20 1nug s PHE 296 N 1.19 3.74 -0.86 0.43 0.40 -0.93 -0.12 117.98 121.84 1nug s PHE 296 Ca 0.04 1.17 -0.00 0.00 -0.60 0.00 0.00 56.93 57.54 1nug s PHE 296 Cb -0.14 -2.48 0.00 0.00 0.51 0.00 0.00 43.02 40.91 1nug s PHE 296 CO 0.02 0.52 0.71 0.09 0.70 0.00 0.00 175.22 177.27 1nug n ASN 297 N 2.09 -2.16 -4.65 1.36 4.13 -0.73 -1.32 115.26 113.97 1nug n ASN 297 Ca -0.10 -0.44 -0.42 0.00 1.68 0.00 0.00 54.58 55.30 1nug n ASN 297 Cb 0.51 -3.78 -0.03 0.00 -1.54 0.00 0.00 39.78 34.94 1nug n ASN 297 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1nug s SER 298 N -3.93 6.97 0.25 6.41 0.15 -0.76 -1.69 113.70 121.10 1nug s SER 298 Ca 0.02 1.19 -0.22 0.00 0.70 0.00 0.00 55.95 57.64 1nug s SER 298 Cb -0.01 -2.49 -0.09 0.00 -1.71 0.00 0.00 66.02 61.72 1nug s SER 298 CO 0.52 -0.62 0.80 0.00 1.20 0.00 0.00 173.24 175.14 1nug s ALA 299 N 3.08 3.35 -0.72 5.45 0.00 -0.91 -0.50 121.76 131.51 1nug s ALA 299 Ca 0.40 0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.69 1nug s ALA 299 Cb -0.15 -2.94 0.24 0.00 0.00 0.00 0.00 23.12 20.26 1nug s ALA 299 CO 0.07 0.28 0.77 1.58 0.00 0.00 0.00 175.76 178.46 1nug n HIS 300 N 0.68 3.49 -1.98 0.00 -0.00 0.26 -3.93 115.22 113.74 1nug n HIS 300 Ca -0.01 -4.03 -0.43 0.00 -0.00 0.00 0.00 57.72 53.25 1nug n HIS 300 Cb 0.51 -0.70 -0.03 0.00 -0.00 0.00 0.00 29.99 29.77 1nug n HIS 300 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1nug s ASP 301 N -1.98 6.07 -0.18 0.26 3.68 -1.26 -4.89 116.67 118.38 1nug s ASP 301 Ca 0.35 1.57 0.11 0.00 2.13 0.00 0.00 52.55 56.71 1nug s ASP 301 Cb 0.08 -2.53 0.65 0.00 -1.45 0.00 0.00 42.92 39.67 1nug s ASP 301 CO -0.04 -1.52 1.49 0.35 0.13 0.00 0.00 175.17 175.58 1nug n THR 302 N 6.96 2.14 -2.67 1.71 -2.24 -1.26 -4.31 114.28 114.61 1nug n THR 302 Ca 0.22 -1.10 -0.02 0.00 -2.27 0.00 0.00 64.05 60.88 1nug n THR 302 Cb 0.46 -0.30 0.13 0.00 -2.10 0.00 0.00 70.33 68.51 1nug n THR 302 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1nug n ASP 303 N 0.53 -1.46 -0.35 3.42 3.85 -1.26 -5.09 116.55 116.18 1nug n ASP 303 Ca 0.22 -2.20 0.00 0.00 -0.71 0.00 0.00 54.79 52.10 1nug n ASP 303 Cb 0.99 0.70 0.00 0.00 -1.35 0.00 0.00 41.12 41.45 1nug n ASP 303 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 1nug n ARG 304 N -1.44 0.00 -0.13 0.11 1.85 -1.26 -4.79 116.66 111.00 1nug n ARG 304 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 1nug n ARG 304 Cb 0.87 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.28 1nug n ARG 304 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1nug n ASN 305 N 0.72 0.00 -3.27 2.89 6.94 -1.26 -5.01 115.26 116.27 1nug n ASN 305 Ca 0.00 -1.15 -0.24 0.00 -0.02 0.00 0.00 54.58 53.18 1nug n ASN 305 Cb 0.00 -0.03 0.03 0.00 -2.36 0.00 0.00 39.78 37.42 1nug n ASN 305 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1nug n LEU 306 N 0.00 -2.52 -3.70 -4.53 4.77 -1.26 -4.98 117.00 104.78 1nug n LEU 306 Ca 0.00 -0.39 -0.11 0.00 -0.03 0.00 0.00 56.01 55.48 1nug n LEU 306 Cb 0.53 -2.76 -0.10 0.00 -2.33 0.00 0.00 43.42 38.76 1nug n LEU 306 CO 0.00 0.30 0.09 -0.55 -1.33 0.00 0.00 177.39 175.90 1nug s SER 307 N -2.85 -0.52 0.05 -1.43 0.15 -1.26 -1.86 113.70 105.99 1nug s SER 307 Ca 0.40 0.92 0.07 0.00 0.70 0.00 0.00 55.95 58.04 1nug s SER 307 Cb -0.19 0.84 -0.03 0.00 -1.71 0.00 0.00 66.02 64.93 1nug s SER 307 CO 0.50 -0.18 -0.16 0.68 1.20 0.00 0.00 173.24 175.28 1nug s VAL 308 N 1.01 2.97 0.04 4.45 -7.23 -0.63 -4.82 120.40 116.19 1nug s VAL 308 Ca -0.06 -1.18 0.04 0.00 -1.81 0.00 0.00 61.98 58.96 1nug s VAL 308 Cb -0.06 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 1nug s VAL 308 CO -0.08 0.29 -0.02 -1.81 -0.31 0.00 0.00 175.10 173.16 1nug s ASP 309 N -1.61 4.91 -0.03 4.85 1.01 -1.26 -1.61 116.67 122.92 1nug s ASP 309 Ca 0.16 -0.14 -0.00 0.00 0.71 0.00 0.00 52.55 53.28 1nug s ASP 309 Cb -0.11 -1.18 0.03 0.00 1.01 0.00 0.00 42.92 42.67 1nug s ASP 309 CO 0.07 0.23 0.02 -0.69 0.21 0.00 0.00 175.17 175.01 1nug s VAL 310 N -1.17 0.06 0.28 -1.27 1.01 -0.29 -4.43 120.40 114.59 1nug s VAL 310 Ca 0.22 0.21 0.10 0.00 0.00 0.00 0.00 61.98 62.50 1nug s VAL 310 Cb -0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1nug s VAL 310 CO 0.13 0.15 -0.00 -0.31 0.00 0.00 0.00 175.10 175.07 1nug s TYR 311 N 1.42 2.65 0.09 5.22 1.51 -1.24 0.48 117.35 127.48 1nug s TYR 311 Ca -0.04 -0.27 -0.14 0.00 -1.01 0.00 0.00 57.07 55.60 1nug s TYR 311 Cb -0.13 -1.25 0.02 0.00 -0.11 0.00 0.00 41.96 40.49 1nug s TYR 311 CO -0.03 0.59 0.34 0.71 -1.11 0.00 0.00 175.55 176.05 1nug s TYR 312 N -2.37 -0.12 0.40 2.71 1.51 -0.55 -2.37 117.35 116.56 1nug s TYR 312 Ca 0.32 -0.13 0.08 0.00 -1.01 0.00 0.00 57.07 56.33 1nug s TYR 312 Cb -0.05 0.15 -0.00 0.00 -0.11 0.00 0.00 41.96 41.94 1nug s TYR 312 CO 0.20 -0.60 0.48 0.16 -1.11 0.00 0.00 175.55 174.68 1nug s ASP 313 N -2.51 5.52 0.62 2.29 1.47 -0.93 0.27 116.67 123.39 1nug s ASP 313 Ca 0.00 -0.47 0.36 0.00 1.18 0.00 0.00 52.55 53.62 1nug s ASP 313 Cb 0.01 -0.75 1.97 0.00 -0.34 0.00 0.00 42.92 43.82 1nug s ASP 313 CO -0.08 -0.65 2.11 -0.65 0.68 0.00 0.00 175.17 176.58 1nug h PRO 314 N 0.83 0.00 -0.12 2.11 0.11 -1.93 -1.81 132.00 131.19 1nug h PRO 314 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1nug h PRO 314 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1nug h PRO 314 CO 0.50 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.96 1nug n MET 315 N -2.89 1.45 -0.84 1.05 2.81 -1.26 -4.78 117.12 112.66 1nug n MET 315 Ca -0.02 -0.68 0.00 0.00 -1.81 0.00 0.00 57.70 55.19 1nug n MET 315 Cb 0.18 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 1nug n MET 315 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nug n GLY 316 N 0.96 0.53 3.81 3.03 0.00 -0.68 -3.91 105.19 108.94 1nug n GLY 316 Ca 0.14 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 1nug n GLY 316 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nug s ASN 317 N -2.78 6.67 0.06 1.61 0.01 -1.25 -4.17 114.94 115.09 1nug s ASN 317 Ca 0.00 0.79 -0.30 0.00 -0.71 0.00 0.00 52.86 52.64 1nug s ASN 317 Cb 0.00 -2.21 -0.05 0.00 0.41 0.00 0.00 41.25 39.40 1nug s ASN 317 CO 0.00 0.27 1.04 -2.84 -1.51 0.00 0.00 177.10 174.06 1nug s PRO 318 N -0.62 4.56 0.29 -0.60 0.02 -1.26 -2.20 135.00 135.20 1nug s PRO 318 Ca 0.21 1.55 -0.15 0.00 0.02 0.00 0.00 61.00 62.63 1nug s PRO 318 Cb -0.15 -3.39 -0.09 0.00 0.02 0.00 0.00 34.50 30.89 1nug s PRO 318 CO 0.10 -0.03 0.71 -0.51 -0.33 0.00 0.00 177.00 176.95 1nug s LEU 319 N 0.61 4.13 0.64 -5.54 1.43 -1.00 -4.94 118.68 114.01 1nug s LEU 319 Ca 0.52 1.27 0.43 0.00 -1.03 0.00 0.00 54.13 55.32 1nug s LEU 319 Cb -0.25 -3.94 2.25 0.00 0.03 0.00 0.00 46.19 44.28 1nug s LEU 319 CO 0.30 -0.15 2.30 0.44 0.23 0.00 0.00 176.35 179.47 1nug h ASP 320 N 2.51 0.00 -3.34 2.29 5.19 -1.95 -3.24 116.42 117.89 1nug h ASP 320 Ca -0.48 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.34 1nug h ASP 320 Cb 1.18 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.60 1nug h ASP 320 CO 0.66 0.00 0.56 -0.75 -3.12 0.00 0.00 179.24 176.59 1nug s LYS 321 N -4.06 4.06 0.00 3.56 2.47 -1.26 -3.35 119.74 121.16 1nug s LYS 321 Ca -0.04 0.85 0.00 0.00 -1.56 0.00 0.00 55.97 55.22 1nug s LYS 321 Cb 0.12 -3.71 0.00 0.00 -1.46 0.00 0.00 37.83 32.79 1nug s LYS 321 CO 0.42 -0.70 0.00 0.41 0.16 0.00 0.00 175.35 175.64 1nug n GLY 322 N 3.94 1.11 0.23 5.54 0.00 -1.26 -3.68 105.19 111.07 1nug n GLY 322 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 1nug n GLY 322 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nug h SER 323 N 0.00 0.33 -0.37 1.61 4.64 -1.57 -3.00 113.55 115.19 1nug h SER 323 Ca 0.00 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.07 1nug h SER 323 Cb 0.00 -0.09 -0.09 0.00 -0.31 0.00 0.00 62.40 61.91 1nug h SER 323 CO 0.00 0.56 -0.00 -0.90 -0.87 0.00 0.00 176.83 175.62 1nug n ASP 324 N -4.17 2.96 0.06 4.97 3.85 -1.25 -4.24 116.55 118.73 1nug n ASP 324 Ca -0.00 -3.55 -0.12 0.00 -0.71 0.00 0.00 54.79 50.40 1nug n ASP 324 Cb 0.35 -0.63 -0.13 0.00 -1.35 0.00 0.00 41.12 39.37 1nug n ASP 324 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1nug h SER 325 N 1.22 0.21 -3.72 -1.12 0.02 -1.74 -3.42 113.55 105.00 1nug h SER 325 Ca 0.19 -0.26 -0.67 0.00 -0.84 0.00 0.00 61.79 60.21 1nug h SER 325 Cb 1.69 -0.07 -0.38 0.00 0.14 0.00 0.00 62.40 63.78 1nug h SER 325 CO 0.39 1.21 -0.72 -0.69 -1.14 0.00 0.00 176.83 175.88 1nug s VAL 326 N -2.66 2.44 0.41 2.27 1.01 -1.26 0.89 120.40 123.50 1nug s VAL 326 Ca -0.04 -2.03 -0.24 0.00 0.00 0.00 0.00 61.98 59.67 1nug s VAL 326 Cb 0.08 -2.65 -0.08 0.00 0.00 0.00 0.00 36.38 33.73 1nug s VAL 326 CO 0.84 -0.41 1.10 0.26 0.00 0.00 0.00 175.10 176.89 1nug s TRP 327 N 1.02 3.14 0.58 5.22 0.52 0.35 -4.75 118.94 125.02 1nug s TRP 327 Ca 0.04 1.60 0.27 0.00 0.02 0.00 0.00 56.10 58.03 1nug s TRP 327 Cb -0.20 -3.23 1.57 0.00 -1.15 0.00 0.00 33.47 30.46 1nug s TRP 327 CO -0.06 -0.95 2.06 -0.91 0.02 0.00 0.00 176.95 177.11 1nug h ASN 328 N 2.43 0.00 -3.47 2.95 4.21 -1.54 -1.99 115.58 118.17 1nug h ASN 328 Ca -0.49 0.00 0.15 0.00 1.21 0.00 0.00 56.30 57.18 1nug h ASN 328 Cb 1.23 0.00 -0.26 0.00 -1.12 0.00 0.00 38.32 38.17 1nug h ASN 328 CO 0.62 0.00 0.73 0.72 -1.29 0.00 0.00 177.43 178.21 1nug s PHE 329 N -4.72 -0.22 -0.02 1.19 -0.12 -1.26 -1.78 117.98 111.06 1nug s PHE 329 Ca -0.05 0.40 0.02 0.00 -0.05 0.00 0.00 56.93 57.26 1nug s PHE 329 Cb 0.16 0.46 0.00 0.00 -0.63 0.00 0.00 43.02 43.02 1nug s PHE 329 CO 0.58 -0.18 -0.07 -1.58 -0.05 0.00 0.00 175.22 173.92 1nug s HIS 330 N -0.86 0.76 -0.08 3.49 2.46 0.84 -4.85 115.29 117.04 1nug s HIS 330 Ca 0.04 -0.17 0.01 0.00 0.47 0.00 0.00 55.06 55.41 1nug s HIS 330 Cb -0.01 -0.54 -0.03 0.00 -0.13 0.00 0.00 32.58 31.87 1nug s HIS 330 CO -0.04 -0.06 -0.08 0.08 -2.47 0.00 0.00 174.74 172.16 1nug s VAL 331 N 0.10 3.58 0.00 0.89 1.01 -1.26 -0.29 120.40 124.43 1nug s VAL 331 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1nug s VAL 331 Cb -0.06 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1nug s VAL 331 CO -0.00 0.58 0.00 -2.67 0.00 0.00 0.00 175.10 173.01 1nug n TRP 332 N 2.44 -0.07 -4.37 5.22 2.14 0.13 -4.59 117.44 118.34 1nug n TRP 332 Ca -0.18 0.00 -0.19 0.00 2.07 0.00 0.00 57.50 59.21 1nug n TRP 332 Cb 0.53 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.92 1nug n TRP 332 CO 0.00 0.00 0.00 -0.80 2.07 0.00 0.00 177.69 178.96 1nug s ASN 333 N 0.19 2.14 -0.03 -0.67 -0.87 0.69 -1.10 114.94 115.29 1nug s ASN 333 Ca 0.00 -1.23 0.02 0.00 -1.57 0.00 0.00 52.86 50.08 1nug s ASN 333 Cb 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 41.25 41.19 1nug s ASN 333 CO 0.00 -0.48 -0.09 -1.61 -2.57 0.00 0.00 177.10 172.35 1nug s GLU 334 N -3.83 0.98 0.11 -0.60 2.02 -0.37 -0.49 118.70 116.52 1nug s GLU 334 Ca 0.30 -0.29 0.09 0.00 0.02 0.00 0.00 54.97 55.08 1nug s GLU 334 Cb 0.06 -0.91 -0.04 0.00 0.10 0.00 0.00 34.13 33.33 1nug s GLU 334 CO 0.10 0.09 -0.19 0.20 0.02 0.00 0.00 175.26 175.49 1nug s GLY 335 N 0.26 1.67 -0.26 -1.39 0.00 0.98 -1.24 107.32 107.35 1nug s GLY 335 Ca -0.04 -1.34 -0.05 0.00 0.00 0.00 0.00 44.72 43.28 1nug s GLY 335 CO 0.01 -1.32 0.02 0.86 0.00 0.00 0.00 173.10 172.67 1nug s TRP 336 N -1.11 3.08 -0.17 1.90 -0.11 0.94 0.97 118.94 124.44 1nug s TRP 336 Ca 0.17 -1.01 -0.34 0.00 1.22 0.00 0.00 56.10 56.15 1nug s TRP 336 Cb -0.11 -2.18 0.14 0.00 -1.50 0.00 0.00 33.47 29.82 1nug s TRP 336 CO 0.09 -0.57 1.16 -0.59 -4.62 0.00 0.00 176.95 172.42 1nug s PHE 337 N 1.48 -0.17 0.59 5.86 -0.12 -0.56 -4.36 117.98 120.69 1nug s PHE 337 Ca 0.03 0.13 -0.16 0.00 -0.05 0.00 0.00 56.93 56.88 1nug s PHE 337 Cb -0.16 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 1nug s PHE 337 CO -0.00 -0.25 1.07 0.14 -0.05 0.00 0.00 175.22 176.13 1nug s VAL 338 N -2.37 3.66 -0.74 -2.49 -7.23 -0.42 -2.03 120.40 108.77 1nug s VAL 338 Ca 0.08 0.83 -0.00 0.00 -1.81 0.00 0.00 61.98 61.08 1nug s VAL 338 Cb -0.01 -3.33 0.18 0.00 0.56 0.00 0.00 36.38 33.78 1nug s VAL 338 CO -0.05 -0.42 0.58 -0.13 -0.31 0.00 0.00 175.10 174.76 1nug s ARG 339 N -3.92 2.79 0.41 4.82 1.81 -1.26 -4.90 118.95 118.71 1nug s ARG 339 Ca 0.65 -3.00 0.29 0.00 -1.72 0.00 0.00 55.73 51.95 1nug s ARG 339 Cb -0.17 -3.74 1.36 0.00 -0.45 0.00 0.00 34.95 31.95 1nug s ARG 339 CO 0.35 -1.23 1.87 0.66 -0.68 0.00 0.00 175.30 176.27 1nug h SER 340 N 6.26 0.00 0.44 0.23 4.64 -1.95 -0.72 113.55 122.45 1nug h SER 340 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1nug h SER 340 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1nug h SER 340 CO 0.77 0.00 -0.43 -0.90 -0.87 0.00 0.00 176.83 175.40 1nug n ASP 341 N -2.57 0.62 -0.01 4.97 5.75 -1.26 -4.30 116.55 119.75 1nug n ASP 341 Ca -0.00 -0.40 -0.02 0.00 -0.01 0.00 0.00 54.79 54.36 1nug n ASP 341 Cb 0.17 0.20 -0.02 0.00 -1.03 0.00 0.00 41.12 40.44 1nug n ASP 341 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1nug n LEU 342 N -1.28 0.60 0.00 -2.12 4.77 -0.71 -5.03 117.00 113.24 1nug n LEU 342 Ca 0.07 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1nug n LEU 342 Cb 0.34 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1nug n LEU 342 CO 0.32 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1nug n GLY 343 N 2.94 3.08 0.37 -0.72 0.00 -0.36 -4.89 105.19 105.61 1nug n GLY 343 Ca -0.05 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 44.21 1nug n GLY 343 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1nug h PRO 344 N 0.00 0.33 -0.01 1.61 0.11 -1.95 -2.83 132.00 129.26 1nug h PRO 344 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1nug h PRO 344 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1nug h PRO 344 CO 0.00 0.22 -0.03 -1.13 -0.21 0.00 0.00 178.00 176.85 1nug n SER 345 N -4.46 1.03 -0.82 -2.05 3.41 -1.26 -3.91 113.62 105.56 1nug n SER 345 Ca 0.12 -1.26 0.07 0.00 -0.26 0.00 0.00 58.87 57.55 1nug n SER 345 Cb 0.50 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.65 1nug n SER 345 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1nug n TYR 346 N -0.25 0.62 -1.42 7.33 4.02 -1.07 -4.89 117.16 121.50 1nug n TYR 346 Ca 0.19 -0.52 -0.29 0.00 -0.01 0.00 0.00 57.90 57.27 1nug n TYR 346 Cb 0.29 -0.04 0.17 0.00 -0.02 0.00 0.00 39.34 39.75 1nug n TYR 346 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1nug s GLY 347 N -1.03 1.60 0.00 2.72 0.00 -1.25 -4.53 107.32 104.83 1nug s GLY 347 Ca 0.30 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.32 1nug s GLY 347 CO 0.19 -0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.88 1nug n GLY 348 N -1.94 0.65 3.72 0.20 0.00 -0.86 -4.90 105.19 102.06 1nug n GLY 348 Ca 0.09 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 1nug n GLY 348 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1nug s TRP 349 N 0.00 3.30 -0.09 1.61 0.23 -1.26 -1.50 118.94 121.23 1nug s TRP 349 Ca 0.00 1.13 0.02 0.00 -2.03 0.00 0.00 56.10 55.22 1nug s TRP 349 Cb 0.00 -3.59 0.01 0.00 0.03 0.00 0.00 33.47 29.92 1nug s TRP 349 CO 0.00 -1.95 -0.14 -0.65 0.96 0.00 0.00 176.95 175.16 1nug s GLN 350 N 0.64 1.99 0.19 4.98 -1.52 0.27 -2.48 119.66 123.74 1nug s GLN 350 Ca 0.60 -0.50 -0.30 0.00 -1.95 0.00 0.00 55.36 53.21 1nug s GLN 350 Cb -0.35 -1.67 -0.09 0.00 -0.22 0.00 0.00 33.01 30.68 1nug s GLN 350 CO 0.33 -0.01 1.40 0.08 -0.25 0.00 0.00 175.29 176.84 1nug s VAL 351 N 0.82 2.97 -0.04 1.09 1.01 0.90 -0.01 120.40 127.14 1nug s VAL 351 Ca -0.11 0.77 -0.02 0.00 0.00 0.00 0.00 61.98 62.63 1nug s VAL 351 Cb -0.15 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1nug s VAL 351 CO 0.02 0.10 0.08 -0.76 0.00 0.00 0.00 175.10 174.53 1nug s LEU 352 N 0.21 0.55 -0.10 3.92 1.43 0.35 -2.14 118.68 122.90 1nug s LEU 352 Ca 0.61 0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1nug s LEU 352 Cb -0.39 0.02 0.03 0.00 0.03 0.00 0.00 46.19 45.87 1nug s LEU 352 CO 0.37 -0.19 -0.06 -0.62 0.23 0.00 0.00 176.35 176.08 1nug s ASP 353 N 1.63 2.03 0.03 2.29 -1.08 -0.94 -0.22 116.67 120.41 1nug s ASP 353 Ca -0.03 -0.25 0.23 0.00 -0.52 0.00 0.00 52.55 51.98 1nug s ASP 353 Cb -0.12 -0.75 0.09 0.00 -1.46 0.00 0.00 42.92 40.68 1nug s ASP 353 CO -0.04 -0.13 1.08 0.00 0.52 0.00 0.00 175.17 176.60 1nug n ALA 354 N 4.96 3.71 -2.07 3.66 0.00 -1.26 -3.60 120.51 125.91 1nug n ALA 354 Ca -0.12 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.47 1nug n ALA 354 Cb 0.50 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 1nug n ALA 354 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1nug s THR 355 N -3.11 3.14 -0.51 0.00 -4.23 -1.26 -4.15 115.64 105.51 1nug s THR 355 Ca 0.06 0.86 -0.27 0.00 -1.18 0.00 0.00 61.69 61.16 1nug s THR 355 Cb 0.15 -3.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.43 1nug s THR 355 CO 0.79 0.09 1.78 -2.16 -0.54 0.00 0.00 174.62 174.58 1nug s PRO 356 N 0.59 2.95 0.00 3.99 0.04 -1.26 -4.79 135.00 136.52 1nug s PRO 356 Ca 0.62 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1nug s PRO 356 Cb -0.38 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 29.87 1nug s PRO 356 CO 0.34 -2.34 0.00 1.04 0.04 0.00 0.00 177.00 176.08 1nug n GLN 357 N 8.85 0.00 -5.15 4.56 6.02 -1.26 -5.07 117.38 125.32 1nug n GLN 357 Ca 0.20 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.87 1nug n GLN 357 Cb 0.50 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.60 1nug n GLN 357 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1nug s GLU 358 N -0.85 2.86 0.64 -1.09 2.56 -1.26 -5.11 118.70 116.45 1nug s GLU 358 Ca 0.00 -0.85 -0.18 0.00 0.00 0.00 0.00 54.97 53.94 1nug s GLU 358 Cb 0.00 -2.30 -0.01 0.00 2.00 0.00 0.00 34.13 33.82 1nug s GLU 358 CO 0.00 0.30 1.25 1.03 -0.56 0.00 0.00 175.26 177.28 1nug s ARG 359 N 0.06 2.61 -0.20 4.30 0.52 -1.26 -4.52 118.95 120.47 1nug s ARG 359 Ca -0.10 1.94 -0.04 0.00 -0.52 0.00 0.00 55.73 57.01 1nug s ARG 359 Cb -0.15 -1.87 0.08 0.00 0.52 0.00 0.00 34.95 33.52 1nug s ARG 359 CO 0.06 -1.52 0.13 0.45 0.02 0.00 0.00 175.30 174.44 1nug s SER 360 N -1.57 2.26 -0.99 0.23 0.15 0.24 -4.81 113.70 109.21 1nug s SER 360 Ca 0.80 -0.62 -0.06 0.00 0.70 0.00 0.00 55.95 56.77 1nug s SER 360 Cb -0.34 -0.09 0.01 0.00 -1.71 0.00 0.00 66.02 63.89 1nug s SER 360 CO 0.39 -0.36 0.85 0.00 1.20 0.00 0.00 173.24 175.32 1nug n GLN 361 N 5.29 -5.76 0.00 5.44 6.02 -1.26 -2.90 117.38 124.20 1nug n GLN 361 Ca -0.06 0.61 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 1nug n GLN 361 Cb 0.48 -4.97 0.00 0.00 1.02 0.00 0.00 30.24 26.78 1nug n GLN 361 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nug n GLY 362 N -1.60 3.04 3.32 1.08 0.00 -1.26 -5.02 105.19 104.76 1nug n GLY 362 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1nug n GLY 362 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nug s VAL 363 N -1.74 1.78 -1.01 1.61 -7.23 -1.14 -5.01 120.40 107.65 1nug s VAL 363 Ca 0.00 -1.90 -0.23 0.00 -1.81 0.00 0.00 61.98 58.03 1nug s VAL 363 Cb 0.00 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 35.11 1nug s VAL 363 CO 0.00 -0.33 1.75 -0.36 -0.31 0.00 0.00 175.10 175.85 1nug s PHE 364 N -2.07 2.16 0.03 2.82 0.40 -1.26 -0.59 117.98 119.47 1nug s PHE 364 Ca 0.15 -0.10 -0.04 0.00 -0.60 0.00 0.00 56.93 56.34 1nug s PHE 364 Cb -0.06 -4.33 -0.01 0.00 0.51 0.00 0.00 43.02 39.13 1nug s PHE 364 CO 0.06 -1.76 0.06 1.14 0.70 0.00 0.00 175.22 175.42 1nug s GLN 365 N 5.99 0.51 -0.22 0.44 -2.07 -1.26 -4.20 119.66 118.84 1nug s GLN 365 Ca 0.60 -0.72 -0.08 0.00 -1.82 0.00 0.00 55.36 53.33 1nug s GLN 365 Cb -0.03 0.19 0.10 0.00 -1.09 0.00 0.00 33.01 32.18 1nug s GLN 365 CO -0.02 -0.11 0.49 0.00 -1.32 0.00 0.00 175.29 174.33 1nug n GLY 367 N 5.24 1.42 3.75 0.00 0.00 -1.26 -2.22 105.19 112.13 1nug n GLY 367 Ca -0.11 -2.06 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 1nug n GLY 367 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nug s PRO 368 N -1.80 4.80 -0.12 1.61 0.04 -1.26 -4.49 135.00 133.77 1nug s PRO 368 Ca 0.00 1.55 0.02 0.00 0.04 0.00 0.00 61.00 62.62 1nug s PRO 368 Cb 0.00 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.28 1nug s PRO 368 CO 0.00 0.43 -0.19 0.00 0.04 0.00 0.00 177.00 177.28 1nug s ALA 369 N -1.09 2.00 0.13 8.56 0.00 -0.91 -0.18 121.76 130.27 1nug s ALA 369 Ca 0.42 -0.93 -0.31 0.00 0.00 0.00 0.00 51.96 51.14 1nug s ALA 369 Cb -0.27 -0.92 -0.09 0.00 0.00 0.00 0.00 23.12 21.84 1nug s ALA 369 CO 0.34 -0.04 1.62 0.45 0.00 0.00 0.00 175.76 178.13 1nug s SER 370 N 0.87 6.58 0.15 0.00 0.15 -1.26 -0.07 113.70 120.12 1nug s SER 370 Ca -0.07 2.58 -0.12 0.00 0.70 0.00 0.00 55.95 59.04 1nug s SER 370 Cb -0.15 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.57 1nug s SER 370 CO -0.01 -0.86 1.54 0.58 1.20 0.00 0.00 173.24 175.68 1nug h VAL 371 N 4.35 1.27 -0.81 4.45 2.07 -1.80 -1.45 116.25 124.33 1nug h VAL 371 Ca -0.43 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 65.78 1nug h VAL 371 Cb 1.20 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 1nug h VAL 371 CO 0.92 0.45 0.51 0.40 0.02 0.00 0.00 177.57 179.87 1nug h ILE 372 N 0.76 1.22 -0.17 4.57 2.04 -1.82 -1.30 117.51 122.81 1nug h ILE 372 Ca 0.11 -0.46 -0.11 0.00 1.00 0.00 0.00 64.86 65.39 1nug h ILE 372 Cb 0.73 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1nug h ILE 372 CO 0.06 0.23 -0.39 1.23 0.00 0.00 0.00 178.15 179.28 1nug h GLY 373 N 1.13 0.40 0.95 5.37 0.00 -1.81 -2.66 103.07 106.45 1nug h GLY 373 Ca 0.29 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1nug h GLY 373 CO -0.06 0.35 0.09 -2.08 0.00 0.00 0.00 176.54 174.83 1nug h VAL 374 N 0.31 1.24 -0.21 4.60 2.07 -0.29 -1.21 116.25 122.77 1nug h VAL 374 Ca 0.03 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1nug h VAL 374 Cb 0.82 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1nug h VAL 374 CO 0.07 0.30 0.06 -0.09 0.02 0.00 0.00 177.57 177.92 1nug h ARG 375 N 0.57 0.29 -0.01 1.57 2.43 -1.12 -2.43 114.38 115.68 1nug h ARG 375 Ca 0.13 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1nug h ARG 375 Cb 0.35 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1nug h ARG 375 CO 0.01 0.26 -0.29 0.39 -1.51 0.00 0.00 179.97 178.83 1nug n GLU 376 N -4.42 0.86 -1.27 0.20 -0.58 -1.01 -4.57 120.64 109.84 1nug n GLU 376 Ca 0.00 -0.54 -0.05 0.00 -0.42 0.00 0.00 57.16 56.15 1nug n GLU 376 Cb 0.14 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.50 1nug n GLU 376 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nug n GLY 377 N 1.35 0.68 2.27 0.62 0.00 -0.62 -4.89 105.19 104.60 1nug n GLY 377 Ca 0.12 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 1nug n GLY 377 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nug n ASP 378 N 1.18 7.07 0.00 1.61 8.00 -0.55 -4.19 116.55 129.67 1nug n ASP 378 Ca -0.05 -2.76 0.01 0.00 0.71 0.00 0.00 54.79 52.70 1nug n ASP 378 Cb 0.21 -1.42 0.06 0.00 -0.02 0.00 0.00 41.12 39.96 1nug n ASP 378 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1nug n VAL 379 N 2.39 0.00 0.60 2.53 0.24 -1.26 -2.31 118.33 120.52 1nug n VAL 379 Ca 0.59 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 63.00 1nug n VAL 379 Cb 0.52 -0.39 0.14 0.00 -1.47 0.00 0.00 33.84 32.63 1nug n VAL 379 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nug n GLN 380 N -0.59 0.27 -2.07 7.34 0.00 -1.26 -4.11 117.38 116.96 1nug n GLN 380 Ca 0.02 0.05 -0.31 0.00 0.00 0.00 0.00 57.00 56.76 1nug n GLN 380 Cb 0.01 -1.65 -0.01 0.00 0.00 0.00 0.00 30.24 28.60 1nug n GLN 380 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1nug s LEU 381 N -4.04 3.39 0.38 2.61 1.43 -0.98 -5.06 118.68 116.41 1nug s LEU 381 Ca 0.06 1.50 -0.14 0.00 -1.03 0.00 0.00 54.13 54.52 1nug s LEU 381 Cb 0.14 -4.49 -0.08 0.00 0.03 0.00 0.00 46.19 41.79 1nug s LEU 381 CO 0.74 -0.79 0.79 0.20 0.23 0.00 0.00 176.35 177.52 1nug s ASN 382 N -3.68 6.69 0.14 2.29 0.02 -1.26 -4.18 114.94 114.96 1nug s ASN 382 Ca 0.57 1.29 0.11 0.00 -1.02 0.00 0.00 52.86 53.81 1nug s ASN 382 Cb -0.11 -2.38 -0.04 0.00 0.02 0.00 0.00 41.25 38.74 1nug s ASN 382 CO 0.44 -0.32 -0.26 -0.36 0.02 0.00 0.00 177.10 176.63 1nug s PHE 383 N -2.18 2.24 -1.11 2.20 0.40 0.75 -4.62 117.98 115.65 1nug s PHE 383 Ca 0.54 -0.38 -0.06 0.00 -0.60 0.00 0.00 56.93 56.43 1nug s PHE 383 Cb -0.10 -1.20 0.05 0.00 0.51 0.00 0.00 43.02 42.28 1nug s PHE 383 CO 0.23 0.35 0.32 -0.25 0.70 0.00 0.00 175.22 176.56 1nug n ASP 384 N 0.83 -3.42 0.13 1.36 8.00 -1.26 -4.17 116.55 118.03 1nug n ASP 384 Ca -0.17 -0.18 -0.13 0.00 0.71 0.00 0.00 54.79 55.02 1nug n ASP 384 Cb 0.54 -2.87 -0.06 0.00 -0.02 0.00 0.00 41.12 38.70 1nug n ASP 384 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1nug h MET 385 N -0.62 -0.50 -0.75 -1.24 2.86 -1.81 -2.58 114.93 110.28 1nug h MET 385 Ca -0.36 0.03 0.16 0.00 -2.06 0.00 0.00 59.70 57.48 1nug h MET 385 Cb 1.24 0.11 -0.14 0.00 0.06 0.00 0.00 31.60 32.88 1nug h MET 385 CO 0.44 -0.33 -0.12 -1.35 1.06 0.00 0.00 176.91 176.61 1nug h PRO 386 N -0.52 0.03 -0.35 -0.22 0.11 -1.90 0.19 132.00 129.34 1nug h PRO 386 Ca 0.02 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 1nug h PRO 386 Cb 0.53 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 1nug h PRO 386 CO -0.13 0.02 0.07 0.35 -0.21 0.00 0.00 178.00 178.10 1nug h PHE 387 N 0.03 0.60 -0.15 0.65 3.57 -1.92 -2.48 116.94 117.24 1nug h PHE 387 Ca 0.38 -0.08 -0.14 0.00 3.53 0.00 0.00 57.97 61.67 1nug h PHE 387 Cb 0.62 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1nug h PHE 387 CO -0.54 0.61 -0.50 0.82 -2.23 0.00 0.00 178.31 176.47 1nug h ILE 388 N 0.41 1.33 -0.43 1.41 2.04 -0.94 -1.94 117.51 119.39 1nug h ILE 388 Ca 0.11 -1.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 1nug h ILE 388 Cb 0.32 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1nug h ILE 388 CO 0.00 0.53 0.23 0.15 0.00 0.00 0.00 178.15 179.06 1nug h PHE 389 N 0.32 0.59 -0.67 1.37 3.57 -0.58 -2.57 116.94 118.96 1nug h PHE 389 Ca 0.01 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1nug h PHE 389 Cb 0.99 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1nug h PHE 389 CO 0.03 0.45 0.18 0.00 -2.23 0.00 0.00 178.31 176.75 1nug h ALA 390 N 1.08 1.06 -0.76 2.41 0.00 -1.31 0.25 119.26 121.99 1nug h ALA 390 Ca 0.15 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 54.97 1nug h ALA 390 Cb 0.07 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 17.50 1nug h ALA 390 CO -0.02 0.63 0.31 0.93 0.00 0.00 0.00 179.25 181.10 1nug h GLU 391 N 1.00 0.45 0.00 0.00 5.08 -0.94 -1.65 114.58 118.52 1nug h GLU 391 Ca 0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1nug h GLU 391 Cb 0.32 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1nug h GLU 391 CO -0.00 0.30 -1.51 1.33 -1.00 0.00 0.00 179.01 178.13 1nug n VAL 392 N -4.98 0.12 -2.76 3.13 0.24 -1.08 -2.13 118.33 110.86 1nug n VAL 392 Ca 0.14 -0.37 -0.04 0.00 -2.04 0.00 0.00 64.34 62.03 1nug n VAL 392 Cb 0.41 0.15 0.05 0.00 -1.47 0.00 0.00 33.84 32.98 1nug n VAL 392 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1nug n ASN 393 N -2.13 1.23 -4.90 -1.34 5.15 0.86 -3.46 115.26 110.66 1nug n ASN 393 Ca -0.01 -2.29 -0.32 0.00 -0.60 0.00 0.00 54.58 51.36 1nug n ASN 393 Cb 0.50 -0.38 -0.05 0.00 -0.53 0.00 0.00 39.78 39.33 1nug n ASN 393 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nug s ALA 394 N -3.20 3.87 0.45 5.20 0.00 -0.65 -4.78 121.76 122.65 1nug s ALA 394 Ca 0.26 -0.64 -0.21 0.00 0.00 0.00 0.00 51.96 51.37 1nug s ALA 394 Cb 0.38 -2.03 -0.10 0.00 0.00 0.00 0.00 23.12 21.37 1nug s ALA 394 CO -0.02 0.71 0.98 -0.51 0.00 0.00 0.00 175.76 176.92 1nug s ASP 395 N -2.24 6.71 -0.18 0.00 1.01 -0.78 -4.46 116.67 116.73 1nug s ASP 395 Ca 0.35 1.78 -0.01 0.00 0.71 0.00 0.00 52.55 55.38 1nug s ASP 395 Cb -0.13 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.25 1nug s ASP 395 CO 0.23 -0.52 -0.11 -0.60 0.21 0.00 0.00 175.17 174.37 1nug s ARG 396 N -3.21 3.26 -0.17 8.23 3.52 -0.20 -1.60 118.95 128.78 1nug s ARG 396 Ca 0.64 -0.70 -0.05 0.00 -0.13 0.00 0.00 55.73 55.48 1nug s ARG 396 Cb -0.12 -2.77 -0.03 0.00 -1.56 0.00 0.00 34.95 30.47 1nug s ARG 396 CO 0.16 -0.08 0.00 0.42 -0.81 0.00 0.00 175.30 174.99 1nug s ILE 397 N 1.10 4.23 -0.19 4.11 1.01 -0.63 -0.76 121.20 130.06 1nug s ILE 397 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 60.65 60.33 1nug s ILE 397 Cb -0.14 -2.88 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 1nug s ILE 397 CO -0.03 0.47 0.10 -0.89 0.00 0.00 0.00 174.94 174.59 1nug s THR 398 N 0.45 5.14 0.23 2.92 2.01 -0.57 -1.14 115.64 124.67 1nug s THR 398 Ca -0.01 0.09 0.11 0.00 0.31 0.00 0.00 61.69 62.19 1nug s THR 398 Cb -0.14 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 1nug s THR 398 CO 0.02 0.45 -0.20 0.26 -0.69 0.00 0.00 174.62 174.46 1nug s TRP 399 N 0.36 2.13 -0.13 4.92 0.52 0.18 -0.35 118.94 126.56 1nug s TRP 399 Ca 0.06 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.79 1nug s TRP 399 Cb -0.12 -0.98 -0.01 0.00 -1.15 0.00 0.00 33.47 31.22 1nug s TRP 399 CO -0.01 0.56 -0.17 -0.51 0.02 0.00 0.00 176.95 176.84 1nug s LEU 400 N -3.18 2.50 -0.12 2.99 2.01 -0.80 -1.49 118.68 120.59 1nug s LEU 400 Ca 0.25 -0.42 -0.01 0.00 0.01 0.00 0.00 54.13 53.96 1nug s LEU 400 Cb -0.05 -1.55 0.03 0.00 0.01 0.00 0.00 46.19 44.63 1nug s LEU 400 CO 0.11 0.15 -0.07 -0.47 1.01 0.00 0.00 176.35 177.09 1nug s TYR 401 N 0.43 1.47 -0.78 0.29 6.14 0.14 -0.90 117.35 124.14 1nug s TYR 401 Ca -0.12 -0.77 -0.10 0.00 0.64 0.00 0.00 57.07 56.72 1nug s TYR 401 Cb -0.16 -1.22 0.20 0.00 0.42 0.00 0.00 41.96 41.20 1nug s TYR 401 CO 0.06 -0.52 0.67 0.34 0.64 0.00 0.00 175.55 176.74 1nug s ASP 402 N 1.71 6.24 0.53 4.32 -1.08 -0.24 -4.15 116.67 124.01 1nug s ASP 402 Ca 0.04 -2.84 0.33 0.00 -0.52 0.00 0.00 52.55 49.56 1nug s ASP 402 Cb -0.13 -2.08 1.49 0.00 -1.46 0.00 0.00 42.92 40.74 1nug s ASP 402 CO -0.08 -0.47 1.86 -1.13 0.52 0.00 0.00 175.17 175.87 1nug h ASN 403 N 7.40 0.02 0.25 -0.34 -0.73 -1.94 0.27 115.58 120.51 1nug h ASN 403 Ca 0.07 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.25 1nug h ASN 403 Cb 0.99 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.58 1nug h ASN 403 CO 0.75 0.00 0.00 0.35 -0.37 0.00 0.00 177.43 178.17 1nug n THR 404 N -4.25 0.60 -0.30 -3.57 -2.24 -1.26 -3.06 114.28 100.20 1nug n THR 404 Ca 0.21 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 1nug n THR 404 Cb 1.05 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1nug n THR 404 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1nug n THR 405 N -1.28 0.00 -0.82 4.28 -2.24 0.81 -5.00 114.28 110.03 1nug n THR 405 Ca 0.07 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1nug n THR 405 Cb 0.11 1.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1nug n THR 405 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nug n GLY 406 N 0.12 0.66 3.80 3.38 0.00 -0.34 -4.98 105.19 107.82 1nug n GLY 406 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1nug n GLY 406 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nug s LYS 407 N -0.35 4.43 -0.02 1.61 -0.14 -1.22 -4.93 119.74 119.13 1nug s LYS 407 Ca 0.00 1.09 -0.03 0.00 -1.36 0.00 0.00 55.97 55.67 1nug s LYS 407 Cb 0.00 -2.92 0.00 0.00 -1.68 0.00 0.00 37.83 33.24 1nug s LYS 407 CO 0.00 0.38 0.08 1.14 -0.76 0.00 0.00 175.35 176.19 1nug s GLN 408 N -1.86 0.17 -0.05 1.68 -2.07 -1.26 -1.08 119.66 115.19 1nug s GLN 408 Ca 0.44 -0.02 -0.04 0.00 -1.82 0.00 0.00 55.36 53.93 1nug s GLN 408 Cb -0.19 0.08 0.02 0.00 -1.09 0.00 0.00 33.01 31.83 1nug s GLN 408 CO 0.23 -0.03 0.13 1.67 -1.32 0.00 0.00 175.29 175.97 1nug s TRP 409 N -0.28 -0.14 0.13 9.60 -2.14 -0.08 -4.96 118.94 121.07 1nug s TRP 409 Ca -0.03 0.38 -0.31 0.00 2.66 0.00 0.00 56.10 58.79 1nug s TRP 409 Cb -0.02 0.00 -0.10 0.00 -3.10 0.00 0.00 33.47 30.24 1nug s TRP 409 CO 0.00 -0.10 1.77 0.21 -2.66 0.00 0.00 176.95 176.18 1nug s LYS 410 N 0.44 4.15 -0.21 3.25 2.20 -1.26 -1.90 119.74 126.41 1nug s LYS 410 Ca -0.03 2.55 -0.01 0.00 -0.36 0.00 0.00 55.97 58.11 1nug s LYS 410 Cb -0.04 -3.49 -0.12 0.00 -1.51 0.00 0.00 37.83 32.66 1nug s LYS 410 CO -0.02 -0.80 -0.20 -1.71 -0.36 0.00 0.00 175.35 172.26 1nug n ASN 411 N 5.31 2.21 -3.66 1.43 2.85 0.52 -4.95 115.26 118.98 1nug n ASN 411 Ca 0.17 -0.02 -0.07 0.00 -0.11 0.00 0.00 54.58 54.55 1nug n ASN 411 Cb 0.38 -0.40 -0.02 0.00 1.24 0.00 0.00 39.78 40.99 1nug n ASN 411 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1nug s SER 412 N -6.20 -0.32 -0.07 1.20 1.04 -1.17 -4.99 113.70 103.19 1nug s SER 412 Ca -0.28 -0.30 -0.02 0.00 0.48 0.00 0.00 55.95 55.84 1nug s SER 412 Cb 0.08 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.79 1nug s SER 412 CO 0.45 -0.98 0.02 -0.69 0.98 0.00 0.00 173.24 173.02 1nug s VAL 413 N -3.52 0.21 -0.28 5.02 1.01 -1.26 -1.51 120.40 120.07 1nug s VAL 413 Ca 0.08 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.22 1nug s VAL 413 Cb -0.02 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 35.96 1nug s VAL 413 CO -0.02 0.21 0.03 0.21 0.00 0.00 0.00 175.10 175.53 1nug s ASN 414 N 2.04 4.86 0.00 3.32 3.84 0.06 -4.96 114.94 124.10 1nug s ASN 414 Ca 0.05 -0.82 0.21 0.00 0.21 0.00 0.00 52.86 52.50 1nug s ASN 414 Cb -0.12 -1.80 0.56 0.00 -0.55 0.00 0.00 41.25 39.34 1nug s ASN 414 CO -0.05 -0.18 1.47 -1.54 -2.79 0.00 0.00 177.10 174.02 1nug n SER 415 N 4.78 3.45 0.00 -4.21 3.41 -1.26 -1.04 113.62 118.75 1nug n SER 415 Ca -0.15 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1nug n SER 415 Cb 0.47 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1nug n SER 415 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nug n HIS 416 N 1.40 0.00 0.16 7.33 8.25 -1.26 -4.83 115.22 126.26 1nug n HIS 416 Ca 0.21 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.70 1nug n HIS 416 Cb 0.56 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.89 1nug n HIS 416 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nug h THR 417 N 0.05 1.11 -3.36 1.59 1.03 -1.91 -3.45 112.91 107.97 1nug h THR 417 Ca 0.00 -1.90 -0.55 0.00 -0.01 0.00 0.00 66.41 63.95 1nug h THR 417 Cb 0.02 2.10 -0.04 0.00 -1.07 0.00 0.00 68.15 69.17 1nug h THR 417 CO 0.00 0.49 0.03 -0.63 -0.01 0.00 0.00 175.52 175.40 1nug s ILE 418 N -3.48 4.64 -0.16 0.00 1.01 -1.26 -4.63 121.20 117.31 1nug s ILE 418 Ca 0.00 1.31 -0.05 0.00 0.00 0.00 0.00 60.65 61.91 1nug s ILE 418 Cb 0.11 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1nug s ILE 418 CO 0.72 0.47 0.18 0.61 0.00 0.00 0.00 174.94 176.93 1nug n GLY 419 N 1.47 -1.47 3.02 6.18 0.00 -0.68 -4.56 105.19 109.15 1nug n GLY 419 Ca -0.08 0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 1nug n GLY 419 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nug s ARG 420 N -1.41 0.42 -1.56 1.61 0.52 -0.44 -4.88 118.95 113.21 1nug s ARG 420 Ca 0.08 -0.78 -0.11 0.00 -0.52 0.00 0.00 55.73 54.39 1nug s ARG 420 Cb -0.02 0.08 0.09 0.00 0.52 0.00 0.00 34.95 35.61 1nug s ARG 420 CO 0.30 -0.05 0.74 0.66 0.02 0.00 0.00 175.30 176.97 1nug n TYR 421 N 1.21 -1.88 -1.74 -0.53 0.53 -1.26 -2.20 117.16 111.29 1nug n TYR 421 Ca -0.21 0.82 -0.42 0.00 -1.02 0.00 0.00 57.90 57.06 1nug n TYR 421 Cb 0.56 -3.52 -0.03 0.00 -1.03 0.00 0.00 39.34 35.33 1nug n TYR 421 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 1nug s ILE 422 N -3.49 3.15 0.18 -0.72 1.01 -1.26 -4.54 121.20 115.53 1nug s ILE 422 Ca 0.49 0.18 0.08 0.00 0.00 0.00 0.00 60.65 61.40 1nug s ILE 422 Cb -0.26 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1nug s ILE 422 CO 0.88 -0.03 -0.17 -0.44 0.00 0.00 0.00 174.94 175.19 1nug s SER 423 N 4.69 2.63 0.02 3.58 0.01 -0.20 0.57 113.70 125.00 1nug s SER 423 Ca 0.86 -0.91 -0.16 0.00 1.31 0.00 0.00 55.95 57.05 1nug s SER 423 Cb -0.39 -0.15 0.03 0.00 0.21 0.00 0.00 66.02 65.72 1nug s SER 423 CO 0.38 -0.08 0.36 0.28 0.41 0.00 0.00 173.24 174.59 1nug s THR 424 N -2.34 0.06 0.45 1.44 -1.32 -0.34 -0.56 115.64 113.03 1nug s THR 424 Ca 0.18 -0.50 -0.25 0.00 -1.21 0.00 0.00 61.69 59.90 1nug s THR 424 Cb -0.04 -0.84 -0.09 0.00 -1.51 0.00 0.00 72.50 70.02 1nug s THR 424 CO 0.07 -0.28 1.42 1.17 -2.21 0.00 0.00 174.62 174.78 1nug n LYS 425 N 0.80 2.22 -1.92 7.08 4.81 -1.26 -0.47 118.16 129.43 1nug n LYS 425 Ca -0.20 0.79 -0.32 0.00 -0.87 0.00 0.00 58.31 57.71 1nug n LYS 425 Cb 0.58 -2.60 0.02 0.00 0.02 0.00 0.00 35.03 33.05 1nug n LYS 425 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nug s ALA 426 N -1.19 2.71 -0.16 3.14 0.00 -0.09 -4.67 121.76 121.50 1nug s ALA 426 Ca 0.61 0.32 -0.29 0.00 0.00 0.00 0.00 51.96 52.60 1nug s ALA 426 Cb -0.46 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 1nug s ALA 426 CO 0.58 -0.93 1.34 0.08 0.00 0.00 0.00 175.76 176.83 1nug s VAL 427 N -2.60 4.13 0.00 0.00 1.01 -1.26 -3.29 120.40 118.39 1nug s VAL 427 Ca 0.62 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.96 1nug s VAL 427 Cb -0.16 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1nug s VAL 427 CO 0.41 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1nug n GLY 428 N 3.80 1.79 2.65 4.51 0.00 -1.26 -5.00 105.19 111.68 1nug n GLY 428 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1nug n GLY 428 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nug n SER 429 N 0.00 -0.97 -1.08 1.61 3.41 -1.21 -5.04 113.62 110.35 1nug n SER 429 Ca 0.00 -2.55 0.11 0.00 -0.26 0.00 0.00 58.87 56.16 1nug n SER 429 Cb 0.00 1.87 0.27 0.00 -0.26 0.00 0.00 64.21 66.09 1nug n SER 429 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1nug n ASN 430 N -1.78 3.15 -4.71 4.04 5.03 -1.26 -3.79 115.26 115.94 1nug n ASN 430 Ca 0.02 -1.97 -0.34 0.00 0.87 0.00 0.00 54.58 53.16 1nug n ASN 430 Cb 0.47 -0.33 0.10 0.00 -1.02 0.00 0.00 39.78 39.00 1nug n ASN 430 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1nug s ALA 431 N -1.34 2.04 -0.18 5.41 0.00 -1.26 -4.73 121.76 121.70 1nug s ALA 431 Ca 0.39 0.87 -0.21 0.00 0.00 0.00 0.00 51.96 53.01 1nug s ALA 431 Cb 0.21 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1nug s ALA 431 CO 0.29 -2.00 0.65 0.50 0.00 0.00 0.00 175.76 175.20 1nug s ARG 432 N -3.98 4.25 -0.36 0.00 3.52 -1.26 -0.91 118.95 120.21 1nug s ARG 432 Ca 0.74 0.68 -0.15 0.00 -0.13 0.00 0.00 55.73 56.87 1nug s ARG 432 Cb -0.29 -3.56 -0.01 0.00 -1.56 0.00 0.00 34.95 29.53 1nug s ARG 432 CO 0.47 -0.20 0.34 1.41 -0.81 0.00 0.00 175.30 176.51 1nug s MET 433 N 1.78 3.46 -0.16 5.12 1.75 0.38 -4.86 119.30 126.76 1nug s MET 433 Ca 0.31 -0.54 -0.22 0.00 -1.25 0.00 0.00 55.69 53.98 1nug s MET 433 Cb -0.16 -3.84 -0.02 0.00 2.84 0.00 0.00 34.83 33.65 1nug s MET 433 CO 0.11 -0.56 0.69 0.34 -0.65 0.00 0.00 175.02 174.95 1nug s ASP 434 N 1.74 6.81 -0.16 1.11 -1.08 -1.26 -1.20 116.67 122.63 1nug s ASP 434 Ca 0.10 0.99 0.14 0.00 -0.52 0.00 0.00 52.55 53.26 1nug s ASP 434 Cb -0.17 -2.39 0.37 0.00 -1.46 0.00 0.00 42.92 39.27 1nug s ASP 434 CO 0.12 -0.27 1.19 1.33 0.52 0.00 0.00 175.17 178.05 1nug n VAL 435 N 4.51 1.80 -0.34 1.11 0.24 0.19 -4.78 118.33 121.07 1nug n VAL 435 Ca 0.00 -2.62 -0.04 0.00 -2.04 0.00 0.00 64.34 59.64 1nug n VAL 435 Cb 0.50 -0.08 0.09 0.00 -1.47 0.00 0.00 33.84 32.88 1nug n VAL 435 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1nug h THR 436 N 1.63 1.25 0.00 3.34 2.02 -1.93 -1.35 112.91 117.87 1nug h THR 436 Ca -0.02 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1nug h THR 436 Cb 1.11 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1nug h THR 436 CO 0.01 0.27 0.00 -0.90 0.37 0.00 0.00 175.52 175.27 1nug n ASP 437 N -4.38 0.00 -0.03 4.18 5.75 -1.26 -1.65 116.55 119.15 1nug n ASP 437 Ca 0.10 0.43 -0.09 0.00 -0.01 0.00 0.00 54.79 55.22 1nug n ASP 437 Cb 0.06 -0.45 -0.14 0.00 -1.03 0.00 0.00 41.12 39.56 1nug n ASP 437 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1nug n LYS 438 N -1.45 0.64 0.03 0.11 4.76 -0.51 -4.25 118.16 117.49 1nug n LYS 438 Ca 0.01 0.25 0.11 0.00 -2.87 0.00 0.00 58.31 55.82 1nug n LYS 438 Cb 0.05 -1.75 0.08 0.00 -1.84 0.00 0.00 35.03 31.56 1nug n LYS 438 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1nug n TYR 439 N -3.00 0.25 -3.51 2.13 4.02 -0.66 -4.49 117.16 111.91 1nug n TYR 439 Ca -0.19 0.07 -0.09 0.00 -0.01 0.00 0.00 57.90 57.68 1nug n TYR 439 Cb 1.07 -0.42 -0.03 0.00 -0.02 0.00 0.00 39.34 39.94 1nug n TYR 439 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 1nug s LYS 440 N -3.15 0.83 0.63 -0.72 -2.85 -0.89 -3.54 119.74 110.05 1nug s LYS 440 Ca 0.06 -0.23 -0.14 0.00 -1.00 0.00 0.00 55.97 54.65 1nug s LYS 440 Cb 0.15 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 36.28 1nug s LYS 440 CO 0.78 -0.35 1.06 0.71 0.10 0.00 0.00 175.35 177.65 1nug s TYR 441 N -2.81 3.00 0.12 1.78 1.51 -1.26 -4.30 117.35 115.38 1nug s TYR 441 Ca 0.03 1.49 -0.35 0.00 -1.01 0.00 0.00 57.07 57.23 1nug s TYR 441 Cb -0.01 -2.98 -0.16 0.00 -0.11 0.00 0.00 41.96 38.70 1nug s TYR 441 CO -0.07 -1.18 1.31 -2.30 -1.11 0.00 0.00 175.55 172.20 1nug n PRO 442 N -2.37 1.25 -1.83 -1.71 -0.02 -1.26 -4.75 135.00 124.31 1nug n PRO 442 Ca 0.08 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 1nug n PRO 442 Cb 0.53 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 1nug n PRO 442 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1nug s GLU 443 N 0.27 4.17 0.00 -0.52 0.41 -1.26 -1.69 118.70 120.07 1nug s GLU 443 Ca 0.81 2.44 0.00 0.00 -0.41 0.00 0.00 54.97 57.80 1nug s GLU 443 Cb -0.90 -3.77 0.00 0.00 -1.78 0.00 0.00 34.13 27.68 1nug s GLU 443 CO 0.48 -0.82 0.00 0.41 -0.49 0.00 0.00 175.26 174.83 1nug n GLY 444 N 4.19 3.35 3.29 -1.39 0.00 -1.26 -5.08 105.19 108.29 1nug n GLY 444 Ca 0.17 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 1nug n GLY 444 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nug n SER 445 N 0.18 -3.23 0.10 1.61 3.41 -0.68 -4.90 113.62 110.12 1nug n SER 445 Ca 0.00 0.30 -0.01 0.00 -0.26 0.00 0.00 58.87 58.89 1nug n SER 445 Cb 0.00 -1.07 -0.04 0.00 -0.26 0.00 0.00 64.21 62.84 1nug n SER 445 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1nug h ASP 446 N -1.35 0.00 -0.91 4.04 3.32 -1.98 -3.18 116.42 116.36 1nug h ASP 446 Ca -0.44 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.67 1nug h ASP 446 Cb 1.29 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.78 1nug h ASP 446 CO 0.31 0.69 0.58 1.56 -1.72 0.00 0.00 179.24 180.66 1nug h GLN 447 N 0.00 1.04 -0.89 3.56 7.50 -1.91 -0.67 115.11 123.74 1nug h GLN 447 Ca -0.02 -0.06 0.18 0.00 0.50 0.00 0.00 58.65 59.25 1nug h GLN 447 Cb 1.54 -0.23 -0.07 0.00 0.05 0.00 0.00 27.48 28.77 1nug h GLN 447 CO 0.09 0.69 0.58 1.49 -1.50 0.00 0.00 178.83 180.17 1nug h GLU 448 N 1.07 0.49 0.11 1.46 4.22 -1.79 0.11 114.58 120.25 1nug h GLU 448 Ca 0.39 -0.03 -0.30 0.00 0.08 0.00 0.00 59.36 59.50 1nug h GLU 448 Cb 0.13 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1nug h GLU 448 CO -0.16 0.33 -1.50 0.00 -2.18 0.00 0.00 179.01 175.49 1nug h ARG 449 N 0.51 0.23 -0.47 1.92 2.47 -1.29 -2.88 114.38 114.88 1nug h ARG 449 Ca 0.46 -0.40 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1nug h ARG 449 Cb 0.99 0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 29.44 1nug h ARG 449 CO -0.19 1.10 0.16 1.96 0.56 0.00 0.00 179.97 183.56 1nug h GLN 450 N 0.06 0.71 -0.39 0.04 4.20 -0.16 0.26 115.11 119.85 1nug h GLN 450 Ca -0.23 -0.14 -0.11 0.00 0.06 0.00 0.00 58.65 58.23 1nug h GLN 450 Cb 2.00 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.66 1nug h GLN 450 CO 0.16 0.67 -0.20 0.28 -0.67 0.00 0.00 178.83 179.06 1nug h VAL 451 N 0.62 1.27 -0.20 -0.54 2.07 -0.97 0.27 116.25 118.76 1nug h VAL 451 Ca 0.15 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1nug h VAL 451 Cb 0.24 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1nug h VAL 451 CO -0.01 0.43 0.10 0.15 0.02 0.00 0.00 177.57 178.27 1nug h PHE 452 N 0.66 0.28 -0.22 1.57 3.57 -1.21 0.31 116.94 121.90 1nug h PHE 452 Ca 0.10 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.46 1nug h PHE 452 Cb 0.70 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1nug h PHE 452 CO 0.04 0.28 -0.39 1.96 -2.23 0.00 0.00 178.31 177.96 1nug h GLN 453 N 0.20 0.50 -0.11 1.11 1.08 -0.85 -0.19 115.11 116.86 1nug h GLN 453 Ca 0.07 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1nug h GLN 453 Cb 0.10 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 1nug h GLN 453 CO -0.01 0.81 0.07 -0.22 -0.95 0.00 0.00 178.83 178.53 1nug h LYS 454 N 0.42 0.14 -0.04 1.46 3.64 -0.65 0.16 116.57 121.69 1nug h LYS 454 Ca 0.04 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1nug h LYS 454 Cb 0.87 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1nug h LYS 454 CO 0.07 0.11 0.02 0.00 -2.27 0.00 0.00 179.45 177.38 1nug h ALA 455 N 1.03 0.06 -0.84 5.00 0.00 -0.77 -2.49 119.26 121.24 1nug h ALA 455 Ca 0.04 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1nug h ALA 455 Cb -0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1nug h ALA 455 CO -0.01 -0.35 0.55 1.25 0.00 0.00 0.00 179.25 180.69 1nug h LEU 456 N -0.11 0.78 -1.23 0.00 5.85 -0.86 -0.27 115.31 119.48 1nug h LEU 456 Ca 0.01 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1nug h LEU 456 Cb 0.19 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1nug h LEU 456 CO -0.00 0.49 -0.23 1.23 -0.34 0.00 0.00 178.44 179.58 1nug h GLY 457 N 0.88 0.26 2.00 3.75 0.00 -0.41 -2.45 103.07 107.09 1nug h GLY 457 Ca 0.37 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 1nug h GLY 457 CO -0.14 0.17 -0.13 0.50 0.00 0.00 0.00 176.54 176.94 1nug h LYS 458 N 0.22 0.00 0.00 4.80 1.57 -0.60 -3.51 116.57 119.05 1nug h LYS 458 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1nug h LYS 458 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1nug h LYS 458 CO 0.04 0.13 0.00 1.28 -0.57 0.00 0.00 179.45 180.33 1nug n LEU 459 N -3.33 0.00 -4.09 2.94 4.77 -0.93 -5.02 117.00 111.34 1nug n LEU 459 Ca -0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 1nug n LEU 459 Cb 0.35 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.27 1nug n LEU 459 CO 0.30 0.00 -0.51 -0.22 -1.33 0.00 0.00 177.39 175.64 1nug s LEU 473 N 0.00 1.81 0.22 2.23 1.98 -1.26 -5.07 118.68 118.59 1nug s LEU 473 Ca 0.00 -0.44 0.09 0.00 -2.89 0.00 0.00 54.13 50.89 1nug s LEU 473 Cb 0.00 -1.12 -0.04 0.00 0.66 0.00 0.00 46.19 45.69 1nug s LEU 473 CO 0.00 0.06 -0.04 -1.61 -1.89 0.00 0.00 176.35 172.87 1nug s GLU 474 N 0.76 2.23 -0.35 1.98 2.02 -1.26 -5.11 118.70 118.97 1nug s GLU 474 Ca -0.11 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.57 1nug s GLU 474 Cb -0.16 -2.20 0.09 0.00 0.10 0.00 0.00 34.13 31.97 1nug s GLU 474 CO 0.02 0.41 0.09 0.99 0.02 0.00 0.00 175.26 176.79 1nug s THR 475 N -2.00 2.78 -0.13 3.63 2.01 -1.26 -5.07 115.64 115.60 1nug s THR 475 Ca 0.28 -2.02 -0.30 0.00 0.31 0.00 0.00 61.69 59.96 1nug s THR 475 Cb -0.08 -2.89 -0.07 0.00 0.01 0.00 0.00 72.50 69.47 1nug s THR 475 CO 0.18 -0.51 2.11 -0.62 -0.69 0.00 0.00 174.62 175.09 1nug n GLU 476 N 4.46 2.25 -1.62 4.92 1.02 -1.26 -4.97 120.64 125.44 1nug n GLU 476 Ca -0.03 0.72 -0.30 0.00 -0.02 0.00 0.00 57.16 57.53 1nug n GLU 476 Cb 0.42 -3.07 0.22 0.00 -0.02 0.00 0.00 31.44 28.99 1nug n GLU 476 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1nug s GLU 477 N 5.53 -0.27 0.78 3.49 2.02 -1.26 -5.05 118.70 123.94 1nug s GLU 477 Ca 0.97 -0.37 -0.12 0.00 0.02 0.00 0.00 54.97 55.46 1nug s GLU 477 Cb -0.43 -1.74 0.06 0.00 0.10 0.00 0.00 34.13 32.13 1nug s GLU 477 CO 0.40 -3.03 1.15 1.14 0.02 0.00 0.00 175.26 174.94 1nug s GLN 478 N -5.78 2.25 -0.06 1.61 -2.07 -1.26 -4.91 119.66 109.43 1nug s GLN 478 Ca 0.74 0.22 -0.38 0.00 -1.82 0.00 0.00 55.36 54.12 1nug s GLN 478 Cb -0.05 -1.97 -0.19 0.00 -1.09 0.00 0.00 33.01 29.71 1nug s GLN 478 CO 0.54 -1.42 1.07 0.39 -1.32 0.00 0.00 175.29 174.55 1nug n GLU 479 N -3.22 0.00 -1.68 9.60 -0.58 -1.26 -4.70 120.64 118.80 1nug n GLU 479 Ca 0.08 0.00 -0.49 0.00 -0.42 0.00 0.00 57.16 56.32 1nug n GLU 479 Cb 0.60 -1.40 -0.05 0.00 -0.57 0.00 0.00 31.44 30.02 1nug n GLU 479 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1nug n PRO 480 N 1.71 2.03 -0.26 3.49 -0.02 -1.26 -4.81 135.00 135.88 1nug n PRO 480 Ca 0.20 0.74 0.10 0.00 -2.02 0.00 0.00 63.50 62.53 1nug n PRO 480 Cb 0.06 -2.55 0.36 0.00 -0.02 0.00 0.00 33.50 31.34 1nug n PRO 480 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1nug h SER 481 N 8.44 0.68 -3.36 2.55 0.87 -1.95 -3.41 113.55 117.37 1nug h SER 481 Ca -0.48 0.03 -0.68 0.00 -1.23 0.00 0.00 61.79 59.43 1nug h SER 481 Cb 1.28 -0.11 -0.15 0.00 -0.44 0.00 0.00 62.40 62.98 1nug h SER 481 CO 0.94 0.37 -0.63 -0.63 -0.53 0.00 0.00 176.83 176.35 1nug s ILE 482 N -5.70 4.25 0.05 2.23 -1.09 -1.26 -0.07 121.20 119.60 1nug s ILE 482 Ca -0.10 -0.27 0.07 0.00 -2.23 0.00 0.00 60.65 58.11 1nug s ILE 482 Cb 0.21 -2.78 -0.02 0.00 -1.58 0.00 0.00 42.46 38.29 1nug s ILE 482 CO 0.79 0.60 -0.19 0.27 -1.23 0.00 0.00 174.94 175.18 1nug s ILE 483 N -0.88 1.53 0.07 2.92 -4.36 -0.80 -4.96 121.20 114.72 1nug s ILE 483 Ca 0.13 -1.16 0.00 0.00 -0.26 0.00 0.00 60.65 59.36 1nug s ILE 483 Cb -0.11 -1.35 -0.04 0.00 1.25 0.00 0.00 42.46 42.21 1nug s ILE 483 CO 0.02 0.14 -0.05 -0.83 0.24 0.00 0.00 174.94 174.47 1nug s GLY 484 N -1.20 0.58 -0.16 6.27 0.00 -1.26 -2.01 107.32 109.55 1nug s GLY 484 Ca 0.06 -1.20 -0.19 0.00 0.00 0.00 0.00 44.72 43.39 1nug s GLY 484 CO 0.02 -1.30 0.51 1.25 0.00 0.00 0.00 173.10 173.57 1nug s LYS 485 N -3.58 0.65 -0.23 2.90 2.36 -0.70 -4.92 119.74 116.22 1nug s LYS 485 Ca 0.07 0.57 -0.05 0.00 -2.55 0.00 0.00 55.97 54.01 1nug s LYS 485 Cb 0.05 0.31 -0.02 0.00 -1.05 0.00 0.00 37.83 37.12 1nug s LYS 485 CO -0.07 -0.11 -0.01 -0.51 1.55 0.00 0.00 175.35 176.21 1nug s LEU 486 N -0.04 3.10 0.09 5.43 1.43 -1.26 -0.51 118.68 126.92 1nug s LEU 486 Ca -0.02 -0.31 0.10 0.00 -1.03 0.00 0.00 54.13 52.86 1nug s LEU 486 Cb -0.03 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1nug s LEU 486 CO 0.02 -0.01 -0.24 -0.54 0.23 0.00 0.00 176.35 175.81 1nug s LYS 487 N 1.45 1.68 -0.04 1.70 1.02 -0.88 -4.97 119.74 119.70 1nug s LYS 487 Ca 0.05 -1.20 -0.23 0.00 0.02 0.00 0.00 55.97 54.61 1nug s LYS 487 Cb -0.15 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 1nug s LYS 487 CO -0.01 0.49 0.70 0.08 -0.92 0.00 0.00 175.35 175.69 1nug s VAL 488 N -0.99 4.97 -0.31 3.17 1.01 -1.26 -1.13 120.40 125.86 1nug s VAL 488 Ca 0.14 1.46 -0.08 0.00 0.00 0.00 0.00 61.98 63.51 1nug s VAL 488 Cb -0.10 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1nug s VAL 488 CO 0.06 0.29 0.11 0.00 0.00 0.00 0.00 175.10 175.56 1nug s ALA 489 N 0.51 3.13 0.00 5.51 0.00 0.16 -4.95 121.76 126.12 1nug s ALA 489 Ca 0.37 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1nug s ALA 489 Cb -0.18 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1nug s ALA 489 CO 0.19 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.35 1nug n GLY 490 N 4.90 -1.71 3.93 0.00 0.00 -1.26 -4.27 105.19 106.78 1nug n GLY 490 Ca -0.14 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 1nug n GLY 490 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1nug s MET 491 N 0.00 3.41 -0.26 1.61 0.23 -1.26 -5.04 119.30 117.99 1nug s MET 491 Ca 0.00 -0.59 -0.02 0.00 -1.03 0.00 0.00 55.69 54.05 1nug s MET 491 Cb 0.00 -2.96 0.03 0.00 -1.53 0.00 0.00 34.83 30.36 1nug s MET 491 CO 0.00 0.53 -0.04 -0.51 -2.03 0.00 0.00 175.02 172.97 1nug s LEU 492 N -3.12 3.29 -0.08 0.18 1.43 -1.26 -4.83 118.68 114.29 1nug s LEU 492 Ca 0.34 -0.87 -0.08 0.00 -1.03 0.00 0.00 54.13 52.49 1nug s LEU 492 Cb -0.11 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.44 1nug s LEU 492 CO 0.28 -0.14 0.23 0.00 0.23 0.00 0.00 176.35 176.95 1nug s ALA 493 N 1.34 -0.56 -0.15 4.21 0.00 -1.26 -0.69 121.76 124.64 1nug s ALA 493 Ca 0.00 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.29 1nug s ALA 493 Cb -0.17 -0.35 -0.06 0.00 0.00 0.00 0.00 23.12 22.54 1nug s ALA 493 CO -0.04 -0.11 2.13 0.08 0.00 0.00 0.00 175.76 177.82 1nug s VAL 494 N 0.05 3.04 0.00 0.00 1.01 0.14 -0.55 120.40 124.09 1nug s VAL 494 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1nug s VAL 494 Cb -0.02 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1nug s VAL 494 CO 0.00 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1nug n GLY 495 N 5.40 1.83 3.86 4.51 0.00 -1.26 -4.76 105.19 114.77 1nug n GLY 495 Ca 0.27 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1nug n GLY 495 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nug s LYS 496 N 0.00 3.85 0.90 1.61 1.02 0.29 -4.73 119.74 122.68 1nug s LYS 496 Ca 0.00 0.31 -0.11 0.00 0.02 0.00 0.00 55.97 56.20 1nug s LYS 496 Cb 0.00 -2.91 0.13 0.00 -0.52 0.00 0.00 37.83 34.53 1nug s LYS 496 CO 0.00 0.49 1.11 -1.83 -0.92 0.00 0.00 175.35 174.20 1nug s GLU 497 N -2.09 1.19 -0.18 1.68 -1.05 -1.26 -4.57 118.70 112.42 1nug s GLU 497 Ca 0.37 1.30 -0.08 0.00 -0.15 0.00 0.00 54.97 56.41 1nug s GLU 497 Cb -0.14 -1.77 -0.04 0.00 -0.44 0.00 0.00 34.13 31.74 1nug s GLU 497 CO 0.19 -2.43 0.08 0.08 0.95 0.00 0.00 175.26 174.14 1nug s VAL 498 N -2.73 4.98 -0.13 1.83 1.01 0.25 -4.80 120.40 120.81 1nug s VAL 498 Ca 0.65 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.66 1nug s VAL 498 Cb -0.21 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 32.95 1nug s VAL 498 CO 0.58 0.46 -0.07 0.20 0.00 0.00 0.00 175.10 176.27 1nug s ASN 499 N 0.30 2.46 0.46 3.32 0.01 -1.26 -1.14 114.94 119.09 1nug s ASN 499 Ca 0.05 -0.45 0.03 0.00 -0.71 0.00 0.00 52.86 51.78 1nug s ASN 499 Cb -0.12 -0.90 -0.01 0.00 0.41 0.00 0.00 41.25 40.63 1nug s ASN 499 CO -0.00 -0.14 0.09 -0.76 -1.51 0.00 0.00 177.10 174.78 1nug s LEU 500 N 1.66 2.07 -0.16 0.60 1.02 0.14 0.37 118.68 124.38 1nug s LEU 500 Ca 0.03 -1.72 -0.07 0.00 0.02 0.00 0.00 54.13 52.40 1nug s LEU 500 Cb -0.13 -0.29 0.07 0.00 0.02 0.00 0.00 46.19 45.85 1nug s LEU 500 CO -0.08 -0.96 0.35 -0.69 0.02 0.00 0.00 176.35 174.99 1nug s VAL 501 N -3.07 -0.34 -0.21 -1.59 1.01 -0.28 -1.33 120.40 114.59 1nug s VAL 501 Ca 0.15 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.09 1nug s VAL 501 Cb 0.01 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 1nug s VAL 501 CO 0.10 0.07 0.67 -0.22 0.00 0.00 0.00 175.10 175.72 1nug s LEU 502 N 2.05 4.12 -0.26 3.92 2.96 0.01 -2.08 118.68 129.40 1nug s LEU 502 Ca -0.04 0.85 -0.10 0.00 -0.22 0.00 0.00 54.13 54.62 1nug s LEU 502 Cb -0.11 -2.94 -0.05 0.00 0.50 0.00 0.00 46.19 43.60 1nug s LEU 502 CO -0.11 -0.33 0.16 -0.76 -1.32 0.00 0.00 176.35 173.99 1nug s LEU 503 N 2.15 3.96 0.14 -0.68 1.43 0.33 -1.90 118.68 124.11 1nug s LEU 503 Ca 0.30 0.01 0.11 0.00 -1.03 0.00 0.00 54.13 53.51 1nug s LEU 503 Cb -0.16 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1nug s LEU 503 CO 0.10 0.00 -0.26 -0.76 0.23 0.00 0.00 176.35 175.66 1nug s LEU 504 N 1.42 2.35 -0.19 1.79 1.43 -0.62 -1.72 118.68 123.13 1nug s LEU 504 Ca 0.07 -0.78 -0.10 0.00 -1.03 0.00 0.00 54.13 52.29 1nug s LEU 504 Cb -0.15 -1.20 0.07 0.00 0.03 0.00 0.00 46.19 44.94 1nug s LEU 504 CO 0.07 0.16 0.45 -0.75 0.23 0.00 0.00 176.35 176.51 1nug s LYS 505 N -2.20 0.43 -0.29 1.70 2.20 -0.85 -1.58 119.74 119.15 1nug s LYS 505 Ca 0.15 0.88 -0.18 0.00 -0.36 0.00 0.00 55.97 56.47 1nug s LYS 505 Cb -0.09 0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 36.25 1nug s LYS 505 CO 0.07 -0.17 0.50 1.21 -0.36 0.00 0.00 175.35 176.60 1nug s ASN 506 N 1.59 6.38 -0.03 1.43 2.47 -0.74 -1.90 114.94 124.14 1nug s ASN 506 Ca -0.09 0.34 0.21 0.00 0.42 0.00 0.00 52.86 53.75 1nug s ASN 506 Cb -0.08 -2.27 0.66 0.00 -1.45 0.00 0.00 41.25 38.11 1nug s ASN 506 CO -0.14 -0.34 1.56 0.18 -3.72 0.00 0.00 177.10 174.64 1nug n LEU 507 N 5.59 4.17 -5.00 3.21 4.77 0.90 -0.06 117.00 130.58 1nug n LEU 507 Ca -0.05 -2.12 -0.22 0.00 -0.03 0.00 0.00 56.01 53.59 1nug n LEU 507 Cb 0.50 -0.51 0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1nug n LEU 507 CO 0.42 0.94 0.43 -0.94 -1.33 0.00 0.00 177.39 176.91 1nug s SER 508 N -0.98 4.82 0.00 -1.43 1.04 -1.25 -4.83 113.70 111.07 1nug s SER 508 Ca 0.49 -0.39 0.23 0.00 0.48 0.00 0.00 55.95 56.76 1nug s SER 508 Cb 0.27 -0.20 0.65 0.00 0.10 0.00 0.00 66.02 66.85 1nug s SER 508 CO 0.31 -1.50 1.51 0.54 0.98 0.00 0.00 173.24 175.08 1nug n ARG 509 N -2.52 1.98 -4.41 4.02 5.12 -1.26 -3.97 116.66 115.62 1nug n ARG 509 Ca 0.13 -1.46 -0.23 0.00 -1.93 0.00 0.00 57.85 54.36 1nug n ARG 509 Cb 0.60 -1.44 -0.11 0.00 -1.16 0.00 0.00 32.46 30.35 1nug n ARG 509 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1nug s ASP 510 N -1.67 3.19 -0.01 0.55 -0.00 -1.26 -4.80 116.67 112.68 1nug s ASP 510 Ca 0.34 -0.96 -0.30 0.00 -0.00 0.00 0.00 52.55 51.64 1nug s ASP 510 Cb 0.20 -0.23 -0.03 0.00 -0.00 0.00 0.00 42.92 42.85 1nug s ASP 510 CO 0.29 0.01 1.06 -0.89 -0.00 0.00 0.00 175.17 175.64 1nug s THR 511 N -2.30 4.58 0.11 -1.27 2.01 -1.26 -4.01 115.64 113.49 1nug s THR 511 Ca 0.24 1.86 0.09 0.00 0.31 0.00 0.00 61.69 64.19 1nug s THR 511 Cb -0.05 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 1nug s THR 511 CO 0.11 0.11 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.39 1nug s LYS 512 N 1.30 1.70 -0.34 4.92 -0.14 -0.42 -4.96 119.74 121.81 1nug s LYS 512 Ca 0.54 -1.20 -0.08 0.00 -1.36 0.00 0.00 55.97 53.86 1nug s LYS 512 Cb -0.23 -2.05 0.03 0.00 -1.68 0.00 0.00 37.83 33.90 1nug s LYS 512 CO 0.26 0.48 0.13 0.99 -0.76 0.00 0.00 175.35 176.45 1nug s THR 513 N -1.07 4.04 -0.25 2.17 2.01 -1.26 -1.20 115.64 120.09 1nug s THR 513 Ca 0.16 -0.99 -0.10 0.00 0.31 0.00 0.00 61.69 61.07 1nug s THR 513 Cb -0.10 -3.25 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 1nug s THR 513 CO 0.08 -0.16 0.14 -0.69 -0.69 0.00 0.00 174.62 173.30 1nug s VAL 514 N 1.46 5.11 -0.25 3.82 1.01 -0.30 -4.36 120.40 126.88 1nug s VAL 514 Ca -0.00 0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 1nug s VAL 514 Cb -0.19 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1nug s VAL 514 CO 0.04 0.32 0.38 0.28 0.00 0.00 0.00 175.10 176.12 1nug s THR 515 N 1.31 5.18 -0.14 3.92 -1.32 0.69 -2.14 115.64 123.15 1nug s THR 515 Ca 0.07 0.60 0.02 0.00 -1.21 0.00 0.00 61.69 61.17 1nug s THR 515 Cb -0.14 -3.70 0.01 0.00 -1.51 0.00 0.00 72.50 67.15 1nug s THR 515 CO 0.06 0.19 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.76 1nug s VAL 516 N 1.85 2.22 -0.11 5.08 1.01 0.91 -1.01 120.40 130.34 1nug s VAL 516 Ca 0.16 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1nug s VAL 516 Cb -0.15 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1nug s VAL 516 CO 0.09 0.54 -0.16 0.20 0.00 0.00 0.00 175.10 175.78 1nug s ASN 517 N 0.76 3.81 0.15 3.32 0.02 -0.91 -0.90 114.94 121.19 1nug s ASN 517 Ca -0.08 -0.36 0.05 0.00 -1.02 0.00 0.00 52.86 51.46 1nug s ASN 517 Cb -0.16 -1.43 -0.04 0.00 0.02 0.00 0.00 41.25 39.64 1nug s ASN 517 CO -0.00 0.19 -0.11 -0.04 0.02 0.00 0.00 177.10 177.16 1nug s MET 518 N 0.17 1.09 0.09 -0.60 -1.94 0.16 -1.36 119.30 116.91 1nug s MET 518 Ca -0.09 -1.45 -0.19 0.00 -1.71 0.00 0.00 55.69 52.24 1nug s MET 518 Cb -0.15 -0.71 0.05 0.00 2.01 0.00 0.00 34.83 36.02 1nug s MET 518 CO 0.05 0.10 0.47 0.95 -0.01 0.00 0.00 175.02 176.58 1nug s THR 519 N -3.18 0.04 -0.07 2.05 -4.23 -0.80 -1.27 115.64 108.18 1nug s THR 519 Ca 0.17 -0.36 -0.00 0.00 -1.18 0.00 0.00 61.69 60.32 1nug s THR 519 Cb 0.01 -1.05 0.02 0.00 1.34 0.00 0.00 72.50 72.83 1nug s THR 519 CO 0.02 -0.20 -0.04 0.00 -0.54 0.00 0.00 174.62 173.85 1nug s ALA 520 N -3.14 0.91 -0.08 3.99 0.00 0.14 -1.45 121.76 122.14 1nug s ALA 520 Ca -0.01 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 51.74 1nug s ALA 520 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.45 1nug s ALA 520 CO -0.07 -0.26 -0.19 -1.58 0.00 0.00 0.00 175.76 173.66 1nug s TRP 521 N 1.46 2.08 0.35 0.00 0.52 -0.03 -0.24 118.94 123.07 1nug s TRP 521 Ca -0.02 -0.77 -0.26 0.00 0.02 0.00 0.00 56.10 55.07 1nug s TRP 521 Cb -0.13 -1.41 -0.09 0.00 -1.15 0.00 0.00 33.47 30.68 1nug s TRP 521 CO -0.04 -0.31 1.04 0.95 0.02 0.00 0.00 176.95 178.61 1nug s THR 522 N 0.33 3.75 0.25 2.01 -4.23 -0.60 0.98 115.64 118.13 1nug s THR 522 Ca -0.14 1.48 0.00 0.00 -1.18 0.00 0.00 61.69 61.86 1nug s THR 522 Cb -0.16 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.82 1nug s THR 522 CO 0.06 0.14 0.21 0.27 -0.54 0.00 0.00 174.62 174.76 1nug s ILE 523 N -1.51 0.00 0.13 2.99 -4.36 -0.85 -1.44 121.20 116.16 1nug s ILE 523 Ca 0.52 -1.94 0.02 0.00 -0.26 0.00 0.00 60.65 58.99 1nug s ILE 523 Cb -0.24 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 40.94 1nug s ILE 523 CO 0.31 0.00 0.24 -0.63 0.24 0.00 0.00 174.94 175.10 1nug s ILE 524 N -3.90 5.21 0.58 8.37 -1.09 -0.89 -4.33 121.20 125.15 1nug s ILE 524 Ca 0.38 -0.67 0.29 0.00 -2.23 0.00 0.00 60.65 58.43 1nug s ILE 524 Cb 0.05 -3.64 0.40 0.00 -1.58 0.00 0.00 42.46 37.69 1nug s ILE 524 CO 0.17 -0.03 1.85 0.10 -1.23 0.00 0.00 174.94 175.80 1nug h TYR 525 N 2.44 0.00 0.00 3.97 -0.00 -1.94 -0.51 116.97 120.93 1nug h TYR 525 Ca -0.47 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.18 1nug h TYR 525 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.91 1nug h TYR 525 CO 0.56 0.00 -0.34 -2.95 -0.00 0.00 0.00 178.16 175.42 1nug h ASN 526 N 0.00 0.00 0.00 0.10 -0.00 -1.92 -1.71 115.58 112.04 1nug h ASN 526 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.57 1nug h ASN 526 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.71 1nug h ASN 526 CO -0.00 0.34 0.00 0.61 -0.00 0.00 0.00 177.43 178.38 1nug n GLY 527 N 0.87 0.83 3.62 9.14 0.00 -0.20 -3.92 105.19 115.53 1nug n GLY 527 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 1nug n GLY 527 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nug n THR 528 N 0.00 0.54 -2.40 2.61 -1.04 -1.25 -3.91 114.28 108.83 1nug n THR 528 Ca 0.00 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.05 61.32 1nug n THR 528 Cb 0.00 -2.30 -0.03 0.00 -1.82 0.00 0.00 70.33 66.18 1nug n THR 528 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1nug s LEU 529 N 6.10 4.33 -0.17 -4.42 1.43 -1.26 -2.10 118.68 122.58 1nug s LEU 529 Ca 0.96 1.96 -0.17 0.00 -1.03 0.00 0.00 54.13 55.85 1nug s LEU 529 Cb -0.47 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.13 1nug s LEU 529 CO 0.42 -0.55 -0.33 0.52 0.23 0.00 0.00 176.35 176.63 1nug n VAL 530 N 4.29 1.45 -3.59 -1.59 0.31 -0.52 -5.00 118.33 113.68 1nug n VAL 530 Ca 0.10 0.15 -0.11 0.00 -0.01 0.00 0.00 64.34 64.47 1nug n VAL 530 Cb 0.46 -2.32 -0.06 0.00 -0.91 0.00 0.00 33.84 31.00 1nug n VAL 530 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1nug s HIS 531 N -2.82 -0.47 0.07 3.52 2.46 -1.22 -4.98 115.29 111.86 1nug s HIS 531 Ca -0.27 0.96 -0.31 0.00 0.47 0.00 0.00 55.06 55.91 1nug s HIS 531 Cb 0.04 0.40 -0.06 0.00 -0.13 0.00 0.00 32.58 32.83 1nug s HIS 531 CO 0.41 -0.34 1.19 -2.00 -2.47 0.00 0.00 174.74 171.53 1nug s GLU 532 N -0.57 4.44 -0.00 2.88 2.12 -1.26 -1.56 118.70 124.75 1nug s GLU 532 Ca -0.01 1.77 0.04 0.00 0.36 0.00 0.00 54.97 57.13 1nug s GLU 532 Cb -0.02 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 1nug s GLU 532 CO 0.00 -0.23 0.11 1.33 -0.54 0.00 0.00 175.26 175.93 1nug n VAL 533 N 3.76 0.00 -3.59 3.70 0.24 0.67 -4.95 118.33 118.15 1nug n VAL 533 Ca 0.08 -0.24 -0.16 0.00 -2.04 0.00 0.00 64.34 61.98 1nug n VAL 533 Cb 0.46 0.69 -0.07 0.00 -1.47 0.00 0.00 33.84 33.45 1nug n VAL 533 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1nug s TRP 534 N -1.83 -0.51 0.07 6.34 -0.00 -1.13 -4.74 118.94 117.14 1nug s TRP 534 Ca -0.00 0.85 -0.26 0.00 -0.00 0.00 0.00 56.10 56.70 1nug s TRP 534 Cb 0.02 0.32 0.07 0.00 -0.00 0.00 0.00 33.47 33.88 1nug s TRP 534 CO 0.15 -0.55 0.61 -1.59 -0.00 0.00 0.00 176.95 175.57 1nug s LYS 535 N -1.29 1.16 -0.11 5.86 -2.85 -1.26 0.28 119.74 121.52 1nug s LYS 535 Ca -0.11 -0.17 -0.33 0.00 -1.00 0.00 0.00 55.97 54.35 1nug s LYS 535 Cb -0.02 0.54 0.13 0.00 -2.06 0.00 0.00 37.83 36.42 1nug s LYS 535 CO 0.08 -0.45 1.22 0.34 0.10 0.00 0.00 175.35 176.64 1nug s ASP 536 N -2.07 -0.12 0.10 0.03 2.15 -0.40 -4.94 116.67 111.43 1nug s ASP 536 Ca -0.04 -0.06 0.02 0.00 0.43 0.00 0.00 52.55 52.89 1nug s ASP 536 Cb -0.01 0.17 -0.04 0.00 -0.30 0.00 0.00 42.92 42.74 1nug s ASP 536 CO -0.03 -0.29 -0.06 -0.44 -0.17 0.00 0.00 175.17 174.18 1nug s SER 537 N -2.49 1.14 -0.29 -0.34 0.01 -1.26 0.37 113.70 110.85 1nug s SER 537 Ca 0.11 -1.01 -0.24 0.00 1.31 0.00 0.00 55.95 56.12 1nug s SER 537 Cb 0.01 0.10 0.14 0.00 0.21 0.00 0.00 66.02 66.47 1nug s SER 537 CO -0.04 -0.47 1.10 0.00 0.41 0.00 0.00 173.24 174.24 1nug s ALA 538 N -3.63 -2.04 -0.16 1.44 0.00 -0.08 -5.01 121.76 112.29 1nug s ALA 538 Ca 0.12 1.87 0.01 0.00 0.00 0.00 0.00 51.96 53.95 1nug s ALA 538 Cb 0.05 -1.52 0.02 0.00 0.00 0.00 0.00 23.12 21.68 1nug s ALA 538 CO -0.05 -0.22 -0.16 0.99 0.00 0.00 0.00 175.76 176.33 1nug s THR 539 N 0.28 1.71 0.25 0.00 2.01 -1.26 -0.07 115.64 118.56 1nug s THR 539 Ca 0.03 -0.73 0.06 0.00 0.31 0.00 0.00 61.69 61.36 1nug s THR 539 Cb -0.05 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 1nug s THR 539 CO -0.08 0.47 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.22 1nug s MET 540 N 1.43 1.44 -0.12 4.92 1.00 -0.91 -4.99 119.30 122.08 1nug s MET 540 Ca 0.05 -1.72 0.02 0.00 0.00 0.00 0.00 55.69 54.04 1nug s MET 540 Cb -0.13 -0.98 -0.00 0.00 0.00 0.00 0.00 34.83 33.71 1nug s MET 540 CO -0.11 0.02 -0.19 0.45 0.00 0.00 0.00 175.02 175.19 1nug s SER 541 N -3.38 3.46 -0.06 3.03 0.15 -1.26 -1.15 113.70 114.48 1nug s SER 541 Ca 0.28 -0.48 0.04 0.00 0.70 0.00 0.00 55.95 56.49 1nug s SER 541 Cb 0.04 -1.49 -0.00 0.00 -1.71 0.00 0.00 66.02 62.85 1nug s SER 541 CO 0.10 0.15 -0.20 -0.76 1.20 0.00 0.00 173.24 173.73 1nug s LEU 542 N 0.43 1.95 0.43 3.45 1.43 -0.34 -4.99 118.68 121.04 1nug s LEU 542 Ca -0.14 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.47 1nug s LEU 542 Cb -0.17 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 1nug s LEU 542 CO 0.06 0.16 0.74 -1.81 0.23 0.00 0.00 176.35 175.73 1nug s ASP 543 N 0.16 6.34 -0.23 2.29 1.01 -1.26 -1.29 116.67 123.67 1nug s ASP 543 Ca -0.09 0.90 -0.39 0.00 0.71 0.00 0.00 52.55 53.68 1nug s ASP 543 Cb -0.14 -2.23 -0.18 0.00 1.01 0.00 0.00 42.92 41.37 1nug s ASP 543 CO 0.04 -0.48 1.21 -2.65 0.21 0.00 0.00 175.17 173.50 1nug n PRO 544 N -1.90 0.00 -0.83 8.23 -0.02 -1.26 0.78 135.00 140.01 1nug n PRO 544 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1nug n PRO 544 Cb 0.55 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 1nug n PRO 544 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1nug n GLU 545 N 2.51 -0.20 -1.52 -0.52 4.07 0.92 -4.99 120.64 120.91 1nug n GLU 545 Ca 0.23 0.05 -0.32 0.00 -0.06 0.00 0.00 57.16 57.06 1nug n GLU 545 Cb 0.01 -3.48 0.06 0.00 -0.06 0.00 0.00 31.44 27.97 1nug n GLU 545 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1nug s GLU 546 N -0.53 2.63 0.06 5.31 2.12 0.23 -4.75 118.70 123.77 1nug s GLU 546 Ca 0.00 1.19 0.05 0.00 0.36 0.00 0.00 54.97 56.57 1nug s GLU 546 Cb 0.00 -1.94 -0.03 0.00 0.26 0.00 0.00 34.13 32.42 1nug s GLU 546 CO 0.00 -1.36 -0.14 -1.21 -0.54 0.00 0.00 175.26 172.01 1nug s GLU 547 N -4.64 0.83 0.26 4.30 2.02 -1.26 -1.78 118.70 118.42 1nug s GLU 547 Ca 0.62 -0.89 -0.07 0.00 0.02 0.00 0.00 54.97 54.65 1nug s GLU 547 Cb -0.17 -0.82 -0.01 0.00 0.10 0.00 0.00 34.13 33.22 1nug s GLU 547 CO 0.50 0.19 0.39 0.00 0.02 0.00 0.00 175.26 176.36 1nug s ALA 548 N -1.16 0.36 -0.29 5.21 0.00 -0.61 -5.01 121.76 120.25 1nug s ALA 548 Ca -0.01 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1nug s ALA 548 Cb -0.09 1.17 0.19 0.00 0.00 0.00 0.00 23.12 24.39 1nug s ALA 548 CO 0.02 -0.77 0.58 -1.83 0.00 0.00 0.00 175.76 173.76 1nug s GLU 549 N -3.81 0.55 -0.11 0.00 -1.05 -1.26 -1.59 118.70 111.42 1nug s GLU 549 Ca 0.29 0.86 -0.29 0.00 -0.15 0.00 0.00 54.97 55.68 1nug s GLU 549 Cb 0.01 0.41 -0.01 0.00 -0.44 0.00 0.00 34.13 34.10 1nug s GLU 549 CO 0.13 -0.73 0.98 -1.58 0.95 0.00 0.00 175.26 175.01 1nug s HIS 550 N 2.83 3.50 0.27 4.83 5.65 -0.80 -4.82 115.29 126.75 1nug s HIS 550 Ca 0.18 1.55 -0.23 0.00 0.25 0.00 0.00 55.06 56.80 1nug s HIS 550 Cb -0.14 -3.16 -0.09 0.00 -1.18 0.00 0.00 32.58 28.01 1nug s HIS 550 CO -0.22 -0.22 0.84 -2.14 -0.65 0.00 0.00 174.74 172.35 1nug s PRO 551 N 2.02 4.45 -0.14 2.88 0.02 -1.26 -0.81 135.00 142.16 1nug s PRO 551 Ca 0.47 1.13 0.02 0.00 0.02 0.00 0.00 61.00 62.64 1nug s PRO 551 Cb -0.18 -2.86 0.01 0.00 0.02 0.00 0.00 34.50 31.48 1nug s PRO 551 CO 0.17 0.35 -0.21 0.42 -0.33 0.00 0.00 177.00 177.40 1nug s ILE 552 N -1.55 2.19 -0.09 2.83 1.01 -0.44 -4.94 121.20 120.21 1nug s ILE 552 Ca 0.46 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 1nug s ILE 552 Cb -0.18 -1.88 0.02 0.00 0.01 0.00 0.00 42.46 40.43 1nug s ILE 552 CO 0.23 0.54 -0.05 -0.75 0.00 0.00 0.00 174.94 174.91 1nug s LYS 553 N 0.82 1.16 -0.14 2.79 2.20 -1.26 -0.68 119.74 124.62 1nug s LYS 553 Ca -0.07 -0.12 0.01 0.00 -0.36 0.00 0.00 55.97 55.43 1nug s LYS 553 Cb -0.15 -1.31 0.02 0.00 -1.51 0.00 0.00 37.83 34.88 1nug s LYS 553 CO -0.02 -0.25 -0.17 0.42 -0.36 0.00 0.00 175.35 174.97 1nug s ILE 554 N 1.69 1.76 0.56 5.43 1.01 -0.30 -4.98 121.20 126.37 1nug s ILE 554 Ca 0.03 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 59.83 1nug s ILE 554 Cb -0.13 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 1nug s ILE 554 CO -0.06 0.49 0.90 -0.94 0.00 0.00 0.00 174.94 175.33 1nug s SER 555 N 1.18 5.98 0.32 3.58 1.04 -1.26 0.84 113.70 125.38 1nug s SER 555 Ca -0.00 0.98 0.03 0.00 0.48 0.00 0.00 55.95 57.43 1nug s SER 555 Cb -0.14 -2.10 0.60 0.00 0.10 0.00 0.00 66.02 64.48 1nug s SER 555 CO -0.07 -0.85 1.91 0.22 0.98 0.00 0.00 173.24 175.43 1nug h TYR 556 N -0.09 0.97 -0.82 5.02 3.20 -1.85 -1.35 116.97 122.06 1nug h TYR 556 Ca -0.46 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.41 1nug h TYR 556 Cb 1.22 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 1nug h TYR 556 CO 0.56 0.49 0.38 0.00 -1.64 0.00 0.00 178.16 177.94 1nug h ALA 557 N 1.54 1.12 -0.52 1.82 0.00 -1.94 0.96 119.26 122.25 1nug h ALA 557 Ca 0.39 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1nug h ALA 557 Cb 0.29 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1nug h ALA 557 CO -0.15 0.65 -0.12 1.96 0.00 0.00 0.00 179.25 181.59 1nug h GLN 558 N 1.17 0.99 0.01 0.00 4.20 -1.61 -3.37 115.11 116.50 1nug h GLN 558 Ca 0.28 -0.38 -0.36 0.00 0.06 0.00 0.00 58.65 58.26 1nug h GLN 558 Cb 0.14 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 1nug h GLN 558 CO -0.03 1.06 -2.23 2.48 -0.67 0.00 0.00 178.83 179.43 1nug n TYR 559 N -4.17 0.29 -0.32 2.96 0.18 -0.99 -4.59 117.16 110.53 1nug n TYR 559 Ca 0.01 0.09 0.18 0.00 1.88 0.00 0.00 57.90 60.06 1nug n TYR 559 Cb 0.41 -1.05 0.37 0.00 -0.38 0.00 0.00 39.34 38.69 1nug n TYR 559 CO 0.00 0.00 0.00 1.05 -2.08 0.00 0.00 176.86 175.83 1nug h GLU 560 N 0.00 0.29 0.00 -3.48 -0.00 -0.96 0.41 114.58 110.85 1nug h GLU 560 Ca -0.49 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.36 58.84 1nug h GLU 560 Cb 2.14 -0.07 -0.00 0.00 -0.00 0.00 0.00 28.75 30.82 1nug h GLU 560 CO 0.03 0.19 -0.07 -0.09 -0.00 0.00 0.00 179.01 179.07 1nug h ARG 561 N 0.30 0.00 0.00 1.06 2.43 -1.81 -3.08 114.38 113.28 1nug h ARG 561 Ca 0.63 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.80 1nug h ARG 561 Cb 1.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 1nug h ARG 561 CO -0.61 0.07 -0.01 0.66 -1.51 0.00 0.00 179.97 178.57 1nug n TYR 562 N -3.58 0.00 -3.14 2.20 4.02 0.05 -5.01 117.16 111.70 1nug n TYR 562 Ca -0.02 -0.63 -0.39 0.00 -0.01 0.00 0.00 57.90 56.85 1nug n TYR 562 Cb 0.19 -0.08 -0.05 0.00 -0.02 0.00 0.00 39.34 39.37 1nug n TYR 562 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1nug s LEU 563 N -1.52 4.36 0.00 7.72 2.96 -0.71 -4.74 118.68 126.74 1nug s LEU 563 Ca 0.10 1.14 0.06 0.00 -0.22 0.00 0.00 54.13 55.21 1nug s LEU 563 Cb 0.09 -2.97 0.06 0.00 0.50 0.00 0.00 46.19 43.87 1nug s LEU 563 CO 0.01 -0.01 0.53 0.29 -1.32 0.00 0.00 176.35 175.85 1nug n LYS 564 N 3.30 0.67 -0.33 1.98 4.76 -1.26 -4.94 118.16 122.34 1nug n LYS 564 Ca -0.04 -3.25 0.25 0.00 -2.87 0.00 0.00 58.31 52.40 1nug n LYS 564 Cb 0.51 0.16 0.49 0.00 -1.84 0.00 0.00 35.03 34.35 1nug n LYS 564 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1nug h SER 565 N 0.46 0.21 -0.53 4.39 0.02 -1.88 0.55 113.55 116.78 1nug h SER 565 Ca -0.31 0.24 0.11 0.00 -0.84 0.00 0.00 61.79 60.98 1nug h SER 565 Cb 1.23 0.27 -0.03 0.00 0.14 0.00 0.00 62.40 64.01 1nug h SER 565 CO 0.48 -0.32 0.36 0.44 -1.14 0.00 0.00 176.83 176.65 1nug h ASP 566 N 0.10 0.22 -5.50 3.07 3.32 -1.94 -3.46 116.42 112.23 1nug h ASP 566 Ca 0.75 0.01 -0.41 0.00 0.02 0.00 0.00 57.03 57.40 1nug h ASP 566 Cb 1.84 -0.04 0.07 0.00 0.22 0.00 0.00 39.33 41.43 1nug h ASP 566 CO -0.74 0.13 -0.67 0.59 -1.72 0.00 0.00 179.24 176.83 1nug n ASN 567 N -4.45 -5.91 -4.50 6.45 3.02 0.19 -4.76 115.26 105.30 1nug n ASN 567 Ca 0.09 -0.50 -0.30 0.00 -0.03 0.00 0.00 54.58 53.84 1nug n ASN 567 Cb 0.43 -4.71 -0.11 0.00 -0.61 0.00 0.00 39.78 34.78 1nug n ASN 567 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1nug s MET 568 N -6.17 1.95 -0.02 3.52 -1.94 -1.26 -0.94 119.30 114.44 1nug s MET 568 Ca 0.51 -1.08 0.01 0.00 -1.71 0.00 0.00 55.69 53.42 1nug s MET 568 Cb -0.23 -2.18 0.01 0.00 2.01 0.00 0.00 34.83 34.43 1nug s MET 568 CO 0.63 0.51 -0.04 0.42 -0.01 0.00 0.00 175.02 176.52 1nug s ILE 569 N -1.09 0.43 -0.29 2.53 1.01 -0.89 -2.00 121.20 120.91 1nug s ILE 569 Ca 0.18 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.57 1nug s ILE 569 Cb -0.11 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 1nug s ILE 569 CO 0.09 0.16 0.18 -0.60 0.00 0.00 0.00 174.94 174.77 1nug s ARG 570 N 0.40 3.84 -0.18 2.79 3.52 0.27 -0.03 118.95 129.56 1nug s ARG 570 Ca -0.05 -0.39 -0.08 0.00 -0.13 0.00 0.00 55.73 55.08 1nug s ARG 570 Cb -0.08 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 1nug s ARG 570 CO -0.00 -0.22 0.08 0.42 -0.81 0.00 0.00 175.30 174.76 1nug s ILE 571 N 1.73 4.96 0.05 4.11 -1.09 0.44 -0.85 121.20 130.54 1nug s ILE 571 Ca 0.07 0.02 0.03 0.00 -2.23 0.00 0.00 60.65 58.54 1nug s ILE 571 Cb -0.16 -3.23 -0.02 0.00 -1.58 0.00 0.00 42.46 37.47 1nug s ILE 571 CO 0.10 0.48 -0.10 -0.89 -1.23 0.00 0.00 174.94 173.30 1nug s THR 572 N 0.19 0.72 -0.22 2.92 2.01 -0.53 -2.05 115.64 118.69 1nug s THR 572 Ca 0.06 -1.07 -0.04 0.00 0.31 0.00 0.00 61.69 60.95 1nug s THR 572 Cb -0.12 -0.74 0.11 0.00 0.01 0.00 0.00 72.50 71.76 1nug s THR 572 CO -0.00 -0.27 0.32 0.00 -0.69 0.00 0.00 174.62 173.97 1nug s ALA 573 N -1.22 -0.77 -0.33 7.40 0.00 -0.82 -1.91 121.76 124.11 1nug s ALA 573 Ca -0.06 0.73 -0.16 0.00 0.00 0.00 0.00 51.96 52.47 1nug s ALA 573 Cb -0.09 -1.47 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 1nug s ALA 573 CO 0.01 -1.16 0.39 0.08 0.00 0.00 0.00 175.76 175.08 1nug s VAL 574 N 2.46 5.15 -0.14 0.00 1.01 -0.47 -1.26 120.40 127.15 1nug s VAL 574 Ca 0.09 0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 1nug s VAL 574 Cb -0.15 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1nug s VAL 574 CO -0.14 -0.07 0.01 0.00 0.00 0.00 0.00 175.10 174.90 1nug s LYS 576 N -0.12 0.63 0.09 0.00 2.47 -0.18 0.38 119.74 123.01 1nug s LYS 576 Ca 0.05 -0.46 0.04 0.00 -1.56 0.00 0.00 55.97 54.04 1nug s LYS 576 Cb -0.13 -0.57 -0.03 0.00 -1.46 0.00 0.00 37.83 35.64 1nug s LYS 576 CO 0.02 0.14 -0.11 0.54 0.16 0.00 0.00 175.35 176.10 1nug s VAL 577 N -0.57 1.00 0.44 4.02 0.11 -1.26 -0.22 120.40 123.91 1nug s VAL 577 Ca -0.00 -1.52 -0.26 0.00 -2.93 0.00 0.00 61.98 57.27 1nug s VAL 577 Cb -0.05 -1.24 -0.09 0.00 -1.53 0.00 0.00 36.38 33.47 1nug s VAL 577 CO 0.00 -0.44 1.42 -2.84 -3.33 0.00 0.00 175.10 169.91 1nug s PRO 578 N -2.40 3.78 -0.21 1.54 0.02 -1.26 -2.81 135.00 133.65 1nug s PRO 578 Ca 0.03 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1nug s PRO 578 Cb -0.06 -2.71 0.00 0.00 0.02 0.00 0.00 34.50 31.76 1nug s PRO 578 CO 0.01 -0.74 0.00 -0.25 -0.33 0.00 0.00 177.00 175.69 1nug n ASP 579 N -0.07 -5.24 -4.07 2.53 10.43 -1.26 -4.97 116.55 113.91 1nug n ASP 579 Ca 0.04 0.05 -0.15 0.00 2.57 0.00 0.00 54.79 57.30 1nug n ASP 579 Cb 0.42 -2.91 -0.12 0.00 1.84 0.00 0.00 41.12 40.35 1nug n ASP 579 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1nug s GLU 580 N -1.74 0.60 0.56 -1.24 2.02 -1.12 -5.14 118.70 112.62 1nug s GLU 580 Ca 0.00 -0.67 -0.19 0.00 0.02 0.00 0.00 54.97 54.12 1nug s GLU 580 Cb 0.00 -0.46 -0.05 0.00 0.10 0.00 0.00 34.13 33.72 1nug s GLU 580 CO 0.00 0.10 1.17 -1.12 0.02 0.00 0.00 175.26 175.43 1nug s SER 581 N -1.26 5.54 0.77 -0.19 0.01 -1.26 -4.37 113.70 112.93 1nug s SER 581 Ca -0.05 2.28 -0.15 0.00 1.31 0.00 0.00 55.95 59.34 1nug s SER 581 Cb -0.08 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.59 1nug s SER 581 CO 0.01 -1.35 0.99 -0.62 0.41 0.00 0.00 173.24 172.68 1nug n GLU 582 N -1.35 0.32 -4.66 12.44 4.71 -1.26 -4.77 120.64 126.07 1nug n GLU 582 Ca 0.12 0.17 -0.33 0.00 -0.01 0.00 0.00 57.16 57.11 1nug n GLU 582 Cb 0.50 -2.26 -0.15 0.00 -1.01 0.00 0.00 31.44 28.52 1nug n GLU 582 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1nug s VAL 583 N -1.98 2.60 -0.25 2.62 1.01 0.16 -4.95 120.40 119.61 1nug s VAL 583 Ca 0.72 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 1nug s VAL 583 Cb -0.32 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1nug s VAL 583 CO 0.52 0.52 0.04 -0.69 0.00 0.00 0.00 175.10 175.50 1nug s VAL 584 N 0.69 4.00 -0.22 2.92 1.01 -1.26 -0.05 120.40 127.49 1nug s VAL 584 Ca -0.08 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 1nug s VAL 584 Cb -0.16 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1nug s VAL 584 CO 0.02 0.30 0.09 -0.69 0.00 0.00 0.00 175.10 174.81 1nug s VAL 585 N 1.56 4.73 0.08 2.92 1.01 -0.39 -4.99 120.40 125.31 1nug s VAL 585 Ca 0.05 -0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.09 1nug s VAL 585 Cb -0.15 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1nug s VAL 585 CO 0.02 0.38 -0.26 -1.61 0.00 0.00 0.00 175.10 173.63 1nug s GLU 586 N 1.01 1.60 -0.30 2.72 2.02 -1.26 -1.95 118.70 122.53 1nug s GLU 586 Ca 0.05 -1.20 -0.12 0.00 0.02 0.00 0.00 54.97 53.71 1nug s GLU 586 Cb -0.14 -1.90 0.17 0.00 0.10 0.00 0.00 34.13 32.36 1nug s GLU 586 CO 0.03 0.47 0.96 0.50 0.02 0.00 0.00 175.26 177.24 1nug s ARG 587 N -1.59 0.29 -0.06 1.61 6.06 -0.87 -4.79 118.95 119.60 1nug s ARG 587 Ca 0.12 0.62 -0.15 0.00 -2.50 0.00 0.00 55.73 53.82 1nug s ARG 587 Cb -0.10 0.36 -0.05 0.00 0.06 0.00 0.00 34.95 35.22 1nug s ARG 587 CO 0.04 -0.21 0.41 -0.51 -2.50 0.00 0.00 175.30 172.52 1nug s ASP 588 N 2.70 6.70 0.28 -2.12 1.01 -1.26 -0.42 116.67 123.57 1nug s ASP 588 Ca 0.01 0.84 0.11 0.00 0.71 0.00 0.00 52.55 54.22 1nug s ASP 588 Cb -0.09 -2.25 -0.05 0.00 1.01 0.00 0.00 42.92 41.55 1nug s ASP 588 CO -0.15 0.19 -0.11 0.27 0.21 0.00 0.00 175.17 175.58 1nug s ILE 589 N -0.31 2.84 -0.11 0.77 -4.36 0.96 -4.95 121.20 116.03 1nug s ILE 589 Ca 0.23 -2.19 0.02 0.00 -0.26 0.00 0.00 60.65 58.45 1nug s ILE 589 Cb -0.16 -2.55 0.02 0.00 1.25 0.00 0.00 42.46 41.02 1nug s ILE 589 CO 0.11 -0.37 -0.15 -0.63 0.24 0.00 0.00 174.94 174.13 1nug s ILE 590 N -2.44 1.51 -0.20 8.37 1.01 -1.26 -2.09 121.20 126.10 1nug s ILE 590 Ca 0.31 -0.65 -0.14 0.00 0.00 0.00 0.00 60.65 60.17 1nug s ILE 590 Cb -0.05 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1nug s ILE 590 CO 0.17 0.44 0.31 -0.76 0.00 0.00 0.00 174.94 175.10 1nug s LEU 591 N 1.04 4.17 0.48 2.97 1.02 -0.11 -4.77 118.68 123.47 1nug s LEU 591 Ca -0.05 0.41 -0.22 0.00 0.02 0.00 0.00 54.13 54.28 1nug s LEU 591 Cb -0.15 -2.37 -0.07 0.00 0.02 0.00 0.00 46.19 43.63 1nug s LEU 591 CO -0.03 0.01 1.19 -1.81 0.02 0.00 0.00 176.35 175.73 1nug s ASP 592 N 0.90 6.02 0.60 2.29 1.01 0.14 -4.55 116.67 123.07 1nug s ASP 592 Ca 0.15 2.35 -0.09 0.00 0.71 0.00 0.00 52.55 55.68 1nug s ASP 592 Cb -0.14 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.17 1nug s ASP 592 CO 0.06 -1.03 0.97 0.20 0.21 0.00 0.00 175.17 175.58 1nug s ASN 593 N -1.34 5.96 0.92 0.27 0.01 -1.26 -0.68 114.94 118.82 1nug s ASN 593 Ca 0.65 1.13 -0.11 0.00 -0.71 0.00 0.00 52.86 53.82 1nug s ASN 593 Cb -0.30 -2.17 0.15 0.00 0.41 0.00 0.00 41.25 39.34 1nug s ASN 593 CO 0.36 -0.94 1.10 -2.84 -1.51 0.00 0.00 177.10 173.27 1nug s PRO 594 N -5.09 0.99 0.26 -0.60 0.02 -1.26 -4.88 135.00 124.44 1nug s PRO 594 Ca 0.54 1.16 -0.29 0.00 0.02 0.00 0.00 61.00 62.42 1nug s PRO 594 Cb -0.11 -1.75 -0.09 0.00 0.02 0.00 0.00 34.50 32.57 1nug s PRO 594 CO 0.50 -2.52 0.99 0.99 -0.33 0.00 0.00 177.00 176.63 1nug s THR 595 N -2.74 3.89 -0.19 0.99 2.01 -1.26 -4.93 115.64 113.41 1nug s THR 595 Ca 0.65 1.88 0.01 0.00 0.31 0.00 0.00 61.69 64.54 1nug s THR 595 Cb -0.21 -4.18 0.03 0.00 0.01 0.00 0.00 72.50 68.15 1nug s THR 595 CO 0.58 0.43 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.57 1nug s LEU 596 N -1.34 2.27 0.02 4.42 2.96 -1.26 -4.42 118.68 121.32 1nug s LEU 596 Ca 0.43 -0.78 0.05 0.00 -0.22 0.00 0.00 54.13 53.61 1nug s LEU 596 Cb -0.27 -1.37 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1nug s LEU 596 CO 0.34 -0.07 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.31 1nug s THR 597 N 1.33 3.41 -0.07 3.68 2.01 -0.49 -4.58 115.64 120.92 1nug s THR 597 Ca 0.02 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.14 1nug s THR 597 Cb -0.15 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.87 1nug s THR 597 CO -0.10 0.35 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.20 1nug s LEU 598 N -1.49 2.24 -0.02 4.42 1.43 -1.26 -0.91 118.68 123.09 1nug s LEU 598 Ca 0.17 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1nug s LEU 598 Cb -0.11 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.70 1nug s LEU 598 CO 0.08 0.24 0.00 -1.61 0.23 0.00 0.00 176.35 175.29 1nug s GLU 599 N -0.11 0.19 -0.13 1.70 2.02 0.03 -4.94 118.70 117.47 1nug s GLU 599 Ca -0.04 0.06 -0.18 0.00 0.02 0.00 0.00 54.97 54.83 1nug s GLU 599 Cb -0.14 -0.35 -0.04 0.00 0.10 0.00 0.00 34.13 33.69 1nug s GLU 599 CO 0.04 -0.10 0.47 0.08 0.02 0.00 0.00 175.26 175.77 1nug s VAL 600 N 0.78 5.19 -2.61 2.63 1.01 -1.26 0.31 120.40 126.44 1nug s VAL 600 Ca -0.07 0.93 0.27 0.00 0.00 0.00 0.00 61.98 63.10 1nug s VAL 600 Cb -0.11 -3.81 0.46 0.00 0.00 0.00 0.00 36.38 32.92 1nug s VAL 600 CO -0.02 0.31 1.61 0.18 0.00 0.00 0.00 175.10 177.19 1nug n LEU 601 N 3.79 1.91 -3.90 3.92 4.32 0.14 -4.98 117.00 122.19 1nug n LEU 601 Ca -0.07 -0.65 -0.10 0.00 -0.02 0.00 0.00 56.01 55.16 1nug n LEU 601 Cb 0.51 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1nug n LEU 601 CO 0.43 0.33 0.41 0.54 -1.22 0.00 0.00 177.39 177.87 1nug s ASN 602 N -1.97 0.26 0.22 -1.43 4.22 -1.26 -4.98 114.94 110.01 1nug s ASN 602 Ca 0.35 -1.22 -0.30 0.00 -2.14 0.00 0.00 52.86 49.55 1nug s ASN 602 Cb 0.21 0.79 -0.09 0.00 1.28 0.00 0.00 41.25 43.44 1nug s ASN 602 CO 0.32 -1.55 1.20 -0.70 -2.04 0.00 0.00 177.10 174.33 1nug s GLU 603 N -2.63 4.50 -0.25 3.55 2.12 -1.26 -4.94 118.70 119.79 1nug s GLU 603 Ca 0.20 1.91 -0.18 0.00 0.36 0.00 0.00 54.97 57.26 1nug s GLU 603 Cb -0.04 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 1nug s GLU 603 CO 0.14 -0.05 0.54 0.00 -0.54 0.00 0.00 175.26 175.34 1nug s ALA 604 N -0.38 3.59 -0.00 6.30 0.00 -1.26 -4.96 121.76 125.04 1nug s ALA 604 Ca 0.51 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.94 1nug s ALA 604 Cb -0.34 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1nug s ALA 604 CO 0.39 -0.72 -0.08 1.03 0.00 0.00 0.00 175.76 176.38 1nug s ARG 605 N 2.27 0.64 0.11 0.00 0.52 -1.26 0.65 118.95 121.88 1nug s ARG 605 Ca 0.22 -0.32 -0.36 0.00 -0.52 0.00 0.00 55.73 54.76 1nug s ARG 605 Cb -0.16 -0.61 -0.17 0.00 0.52 0.00 0.00 34.95 34.54 1nug s ARG 605 CO 0.09 0.16 1.21 0.28 0.02 0.00 0.00 175.30 177.06 1nug n VAL 606 N 2.78 0.39 -0.96 3.52 0.31 0.14 -1.36 118.33 123.15 1nug n VAL 606 Ca -0.14 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1nug n VAL 606 Cb 0.57 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 1nug n VAL 606 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1nug n ARG 607 N 2.04 -1.04 -4.72 5.55 1.74 0.52 -5.00 116.66 115.74 1nug n ARG 607 Ca 0.17 0.26 -0.33 0.00 -0.77 0.00 0.00 57.85 57.19 1nug n ARG 607 Cb 0.20 -4.13 -0.15 0.00 -1.02 0.00 0.00 32.46 27.35 1nug n ARG 607 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1nug s LYS 608 N -1.12 3.30 0.26 5.56 -0.14 -0.46 -4.97 119.74 122.17 1nug s LYS 608 Ca 0.00 -0.72 -0.29 0.00 -1.36 0.00 0.00 55.97 53.59 1nug s LYS 608 Cb 0.00 -2.60 -0.14 0.00 -1.68 0.00 0.00 37.83 33.40 1nug s LYS 608 CO 0.00 0.14 1.03 -2.30 -0.76 0.00 0.00 175.35 173.45 1nug n PRO 609 N 3.73 1.27 -4.05 -1.68 -0.02 -1.26 -4.39 135.00 128.59 1nug n PRO 609 Ca -0.18 0.45 -0.31 0.00 -2.02 0.00 0.00 63.50 61.43 1nug n PRO 609 Cb 0.52 -1.83 -0.16 0.00 -0.02 0.00 0.00 33.50 32.01 1nug n PRO 609 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nug s VAL 610 N -0.85 1.70 -0.09 -1.45 1.01 0.13 -4.94 120.40 115.91 1nug s VAL 610 Ca 0.62 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 1nug s VAL 610 Cb -0.74 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1nug s VAL 610 CO 0.58 0.48 1.05 0.20 0.00 0.00 0.00 175.10 177.41 1nug s ASN 611 N 1.43 7.20 0.16 3.32 -0.87 -1.26 -0.83 114.94 124.09 1nug s ASN 611 Ca 0.05 1.60 0.11 0.00 -1.57 0.00 0.00 52.86 53.05 1nug s ASN 611 Cb -0.13 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.25 38.50 1nug s ASN 611 CO -0.11 -0.47 -0.23 -0.69 -2.57 0.00 0.00 177.10 173.02 1nug s VAL 612 N 2.02 2.44 -0.07 1.60 1.01 0.34 -0.69 120.40 127.05 1nug s VAL 612 Ca 0.50 -1.86 0.02 0.00 0.00 0.00 0.00 61.98 60.65 1nug s VAL 612 Cb -0.20 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.05 1nug s VAL 612 CO 0.19 -0.03 -0.13 -1.58 0.00 0.00 0.00 175.10 173.55 1nug s GLN 613 N -2.43 1.82 -0.17 2.72 0.74 0.15 -2.45 119.66 120.04 1nug s GLN 613 Ca 0.19 -0.45 -0.07 0.00 0.05 0.00 0.00 55.36 55.08 1nug s GLN 613 Cb -0.09 -1.49 -0.04 0.00 1.10 0.00 0.00 33.01 32.49 1nug s GLN 613 CO 0.09 0.03 0.04 1.41 -0.55 0.00 0.00 175.29 176.32 1nug s MET 614 N 0.65 3.88 -0.07 1.67 -2.45 0.15 -0.79 119.30 122.35 1nug s MET 614 Ca -0.15 -0.37 0.01 0.00 -1.25 0.00 0.00 55.69 53.94 1nug s MET 614 Cb -0.16 -3.15 0.02 0.00 1.25 0.00 0.00 34.83 32.79 1nug s MET 614 CO 0.04 0.30 -0.08 -0.51 1.05 0.00 0.00 175.02 175.82 1nug s LEU 615 N 0.28 1.38 -0.06 4.11 1.02 -0.09 -1.36 118.68 123.97 1nug s LEU 615 Ca 0.02 -0.23 -0.05 0.00 0.02 0.00 0.00 54.13 53.90 1nug s LEU 615 Cb -0.13 -0.67 0.02 0.00 0.02 0.00 0.00 46.19 45.43 1nug s LEU 615 CO 0.01 -0.04 0.15 0.12 0.02 0.00 0.00 176.35 176.61 1nug s PHE 616 N 1.03 -0.17 -0.12 0.29 5.36 -0.88 -1.40 117.98 122.09 1nug s PHE 616 Ca -0.09 0.42 0.02 0.00 -0.96 0.00 0.00 56.93 56.33 1nug s PHE 616 Cb -0.14 0.04 -0.00 0.00 -0.34 0.00 0.00 43.02 42.57 1nug s PHE 616 CO -0.00 -0.09 -0.20 -1.12 -1.46 0.00 0.00 175.22 172.34 1nug s SER 617 N 0.25 3.39 -0.49 6.13 0.01 -1.26 0.30 113.70 122.04 1nug s SER 617 Ca -0.01 -0.49 -0.29 0.00 1.31 0.00 0.00 55.95 56.47 1nug s SER 617 Cb -0.03 -1.48 0.02 0.00 0.21 0.00 0.00 66.02 64.74 1nug s SER 617 CO -0.01 0.15 1.27 0.21 0.41 0.00 0.00 173.24 175.27 1nug s ASN 618 N 0.42 6.44 0.39 2.44 3.84 -0.51 -4.88 114.94 123.09 1nug s ASN 618 Ca -0.15 0.49 0.26 0.00 0.21 0.00 0.00 52.86 53.68 1nug s ASN 618 Cb -0.17 -2.55 0.76 0.00 -0.55 0.00 0.00 41.25 38.75 1nug s ASN 618 CO 0.07 -1.41 1.75 1.55 -2.79 0.00 0.00 177.10 176.27 1nug h PRO 619 N 9.98 0.00 -7.35 0.43 0.13 -1.94 -0.79 132.00 132.46 1nug h PRO 619 Ca -0.25 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.40 1nug h PRO 619 Cb 1.08 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.35 1nug h PRO 619 CO 1.13 0.00 0.25 -0.51 -0.23 0.00 0.00 178.00 178.65 1nug s LEU 620 N -5.61 2.19 0.00 1.56 1.43 -1.26 -4.78 118.68 112.21 1nug s LEU 620 Ca 0.06 1.41 0.27 0.00 -1.03 0.00 0.00 54.13 54.84 1nug s LEU 620 Cb 0.08 -3.81 0.93 0.00 0.03 0.00 0.00 46.19 43.42 1nug s LEU 620 CO 0.59 -2.63 1.68 0.47 0.23 0.00 0.00 176.35 176.68 1nug n ASP 621 N -3.87 1.70 -4.51 2.29 8.00 -1.26 -3.49 116.55 115.41 1nug n ASP 621 Ca 0.07 -1.57 -0.25 0.00 0.71 0.00 0.00 54.79 53.75 1nug n ASP 621 Cb 0.56 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.55 1nug n ASP 621 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1nug s GLU 622 N -1.99 1.74 0.56 -1.24 -1.05 -1.26 -4.78 118.70 110.67 1nug s GLU 622 Ca 0.37 -1.89 -0.13 0.00 -0.15 0.00 0.00 54.97 53.16 1nug s GLU 622 Cb 0.21 -1.55 -0.06 0.00 -0.44 0.00 0.00 34.13 32.29 1nug s GLU 622 CO 0.33 0.12 0.98 -2.14 0.95 0.00 0.00 175.26 175.50 1nug s PRO 623 N -3.64 3.76 -0.15 -4.83 0.02 -1.26 -3.93 135.00 124.96 1nug s PRO 623 Ca 0.32 0.79 -0.03 0.00 0.02 0.00 0.00 61.00 62.10 1nug s PRO 623 Cb 0.03 -2.14 -0.02 0.00 0.02 0.00 0.00 34.50 32.39 1nug s PRO 623 CO 0.15 -0.40 -0.06 0.14 -0.33 0.00 0.00 177.00 176.50 1nug s VAL 624 N -2.88 3.61 0.36 3.83 -7.23 -0.26 -4.92 120.40 112.90 1nug s VAL 624 Ca 0.56 -0.46 0.03 0.00 -1.81 0.00 0.00 61.98 60.30 1nug s VAL 624 Cb -0.10 -2.57 0.03 0.00 0.56 0.00 0.00 36.38 34.29 1nug s VAL 624 CO 0.43 0.49 0.22 0.54 -0.31 0.00 0.00 175.10 176.47 1nug n ARG 625 N 3.66 1.00 -4.06 4.82 1.74 -1.26 -1.91 116.66 120.64 1nug n ARG 625 Ca -0.18 -2.29 -0.41 0.00 -0.77 0.00 0.00 57.85 54.20 1nug n ARG 625 Cb 0.52 0.32 0.01 0.00 -1.02 0.00 0.00 32.46 32.29 1nug n ARG 625 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1nug n ASP 626 N -1.77 -3.19 -4.68 0.55 8.00 -1.26 -1.55 116.55 112.64 1nug n ASP 626 Ca -0.04 -1.17 -0.40 0.00 0.71 0.00 0.00 54.79 53.90 1nug n ASP 626 Cb 0.41 -1.40 -0.05 0.00 -0.02 0.00 0.00 41.12 40.06 1nug n ASP 626 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nug s VAL 628 N 1.63 0.96 -0.18 0.00 1.01 0.14 0.18 120.40 124.15 1nug s VAL 628 Ca 0.32 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1nug s VAL 628 Cb -0.16 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1nug s VAL 628 CO 0.12 0.30 -0.05 -0.22 0.00 0.00 0.00 175.10 175.25 1nug s LEU 629 N 0.31 3.06 -0.19 3.92 0.20 -0.09 -1.70 118.68 124.19 1nug s LEU 629 Ca -0.06 -0.25 -0.01 0.00 0.69 0.00 0.00 54.13 54.49 1nug s LEU 629 Cb -0.11 -1.75 0.00 0.00 -0.43 0.00 0.00 46.19 43.90 1nug s LEU 629 CO 0.01 0.09 -0.12 -0.04 -0.29 0.00 0.00 176.35 176.01 1nug s MET 630 N 0.80 3.23 -0.01 1.98 -1.94 0.00 -1.14 119.30 122.21 1nug s MET 630 Ca -0.02 -0.72 0.04 0.00 -1.71 0.00 0.00 55.69 53.29 1nug s MET 630 Cb -0.15 -2.76 -0.01 0.00 2.01 0.00 0.00 34.83 33.92 1nug s MET 630 CO 0.02 -0.12 -0.14 0.08 -0.01 0.00 0.00 175.02 174.84 1nug s VAL 631 N 1.18 1.13 0.29 -6.03 1.01 -0.19 -0.31 120.40 117.48 1nug s VAL 631 Ca 0.02 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 1nug s VAL 631 Cb -0.14 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.32 1nug s VAL 631 CO -0.05 0.32 0.73 -1.83 0.00 0.00 0.00 175.10 174.27 1nug s GLU 632 N -0.32 1.83 0.00 2.72 -1.05 -0.56 0.11 118.70 121.43 1nug s GLU 632 Ca 0.05 -1.04 0.00 0.00 -0.15 0.00 0.00 54.97 53.83 1nug s GLU 632 Cb -0.06 0.61 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 1nug s GLU 632 CO -0.00 -0.84 0.00 0.41 0.95 0.00 0.00 175.26 175.77 1nug n GLY 633 N -0.47 1.66 3.71 -3.83 0.00 -1.26 -1.14 105.19 103.86 1nug n GLY 633 Ca -0.04 0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 1nug n GLY 633 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nug n SER 634 N 0.00 3.37 0.00 1.61 7.64 -1.26 -1.19 113.62 123.79 1nug n SER 634 Ca 0.00 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1nug n SER 634 Cb 0.00 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 61.69 1nug n SER 634 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nug n GLY 635 N 2.49 1.51 0.30 0.23 0.00 -1.26 -4.66 105.19 103.80 1nug n GLY 635 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 1nug n GLY 635 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nug n LEU 636 N 0.00 2.06 -3.55 0.99 4.77 -0.33 -1.61 117.00 119.33 1nug n LEU 636 Ca 0.00 0.03 -0.17 0.00 -0.03 0.00 0.00 56.01 55.84 1nug n LEU 636 Cb 0.00 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.63 1nug n LEU 636 CO 0.00 0.51 0.40 -1.48 -1.33 0.00 0.00 177.39 175.48 1nug s LEU 637 N -6.14 -0.50 -0.33 2.23 -0.00 -0.96 -2.20 118.68 110.78 1nug s LEU 637 Ca -0.17 0.66 -0.29 0.00 -0.00 0.00 0.00 54.13 54.33 1nug s LEU 637 Cb 0.05 2.41 -0.01 0.00 -0.00 0.00 0.00 46.19 48.64 1nug s LEU 637 CO 0.25 -0.59 1.55 -0.76 -0.00 0.00 0.00 176.35 176.80 1nug s LEU 638 N -1.19 3.66 0.00 1.48 1.43 -1.26 -4.46 118.68 118.34 1nug s LEU 638 Ca -0.11 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 1nug s LEU 638 Cb -0.01 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1nug s LEU 638 CO 0.09 -1.43 0.00 0.61 0.23 0.00 0.00 176.35 175.86 1nug n GLY 639 N 4.99 0.58 3.53 -3.19 0.00 -1.26 -4.80 105.19 105.04 1nug n GLY 639 Ca 0.18 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 1nug n GLY 639 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nug s ASN 640 N -4.00 4.79 -0.28 1.61 2.47 -1.26 -4.41 114.94 113.85 1nug s ASN 640 Ca 0.00 -0.08 -0.12 0.00 0.42 0.00 0.00 52.86 53.07 1nug s ASN 640 Cb 0.00 -1.62 -0.04 0.00 -1.45 0.00 0.00 41.25 38.14 1nug s ASN 640 CO 0.00 0.23 0.25 -0.22 -3.72 0.00 0.00 177.10 173.64 1nug s LEU 641 N -0.02 4.07 -0.22 3.21 0.20 0.12 -4.93 118.68 121.11 1nug s LEU 641 Ca 0.01 0.04 -0.05 0.00 0.69 0.00 0.00 54.13 54.82 1nug s LEU 641 Cb -0.13 -2.21 -0.02 0.00 -0.43 0.00 0.00 46.19 43.39 1nug s LEU 641 CO 0.03 -0.11 0.00 -0.75 -0.29 0.00 0.00 176.35 175.23 1nug s LYS 642 N 1.85 3.54 -0.09 1.98 2.20 -1.26 -1.03 119.74 126.94 1nug s LYS 642 Ca 0.09 -0.55 0.02 0.00 -0.36 0.00 0.00 55.97 55.18 1nug s LYS 642 Cb -0.16 -3.12 0.01 0.00 -1.51 0.00 0.00 37.83 33.05 1nug s LYS 642 CO 0.11 -0.11 -0.13 0.42 -0.36 0.00 0.00 175.35 175.27 1nug s ILE 643 N 1.33 1.30 0.07 5.43 1.01 -0.29 -4.99 121.20 125.07 1nug s ILE 643 Ca 0.04 -0.54 -0.29 0.00 0.00 0.00 0.00 60.65 59.86 1nug s ILE 643 Cb -0.15 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.07 1nug s ILE 643 CO 0.01 0.40 0.92 -1.81 0.00 0.00 0.00 174.94 174.46 1nug s ASP 644 N 0.89 7.41 -0.12 3.58 -0.00 -1.26 -0.91 116.67 126.25 1nug s ASP 644 Ca -0.10 1.69 0.00 0.00 -0.00 0.00 0.00 52.55 54.15 1nug s ASP 644 Cb -0.15 -2.56 -0.02 0.00 -0.00 0.00 0.00 42.92 40.19 1nug s ASP 644 CO 0.01 -0.09 -0.13 -0.69 -0.00 0.00 0.00 175.17 174.27 1nug s VAL 645 N 0.19 3.05 0.87 -1.27 1.01 0.13 -4.96 120.40 119.41 1nug s VAL 645 Ca 0.46 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 1nug s VAL 645 Cb -0.22 -2.27 0.08 0.00 0.00 0.00 0.00 36.38 33.97 1nug s VAL 645 CO 0.28 0.53 0.94 -0.81 0.00 0.00 0.00 175.10 176.04 1nug n PRO 646 N 3.39 -0.12 -1.67 2.72 -0.04 -1.26 -3.70 135.00 134.32 1nug n PRO 646 Ca -0.18 0.03 -0.46 0.00 -0.04 0.00 0.00 63.50 62.85 1nug n PRO 646 Cb 0.53 -2.23 -0.04 0.00 -0.04 0.00 0.00 33.50 31.72 1nug n PRO 646 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1nug n THR 647 N -3.58 0.06 -3.64 0.52 -1.04 -1.26 -4.81 114.28 100.52 1nug n THR 647 Ca 0.11 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.05 61.72 1nug n THR 647 Cb 0.52 -1.51 -0.12 0.00 -1.82 0.00 0.00 70.33 67.40 1nug n THR 647 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1nug s LEU 648 N 0.84 4.17 1.18 -4.42 2.96 -0.81 -4.97 118.68 117.63 1nug s LEU 648 Ca 0.78 -0.53 -0.16 0.00 -0.22 0.00 0.00 54.13 54.01 1nug s LEU 648 Cb -0.68 -2.02 0.28 0.00 0.50 0.00 0.00 46.19 44.27 1nug s LEU 648 CO 0.39 -0.20 1.04 -0.83 -1.32 0.00 0.00 176.35 175.42 1nug s GLY 649 N 1.62 1.53 0.28 7.98 0.00 -1.26 -1.10 107.32 116.36 1nug s GLY 649 Ca 0.05 -0.48 -0.30 0.00 0.00 0.00 0.00 44.72 43.99 1nug s GLY 649 CO 0.07 0.30 1.50 -4.14 0.00 0.00 0.00 173.10 170.83 1nug s PRO 650 N -4.87 4.20 0.00 2.90 0.02 -1.25 -2.34 135.00 133.66 1nug s PRO 650 Ca 0.68 2.43 0.00 0.00 0.02 0.00 0.00 61.00 64.13 1nug s PRO 650 Cb -0.19 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1nug s PRO 650 CO 0.60 -0.51 0.00 1.63 -0.33 0.00 0.00 177.00 178.40 1nug n LYS 651 N 2.12 0.00 -1.83 5.54 4.01 -0.30 -4.98 118.16 122.72 1nug n LYS 651 Ca 0.07 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.58 1nug n LYS 651 Cb 0.39 -3.85 0.13 0.00 -0.51 0.00 0.00 35.03 31.19 1nug n LYS 651 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1nug s GLU 652 N -0.67 1.35 -0.05 1.97 0.41 -0.99 -4.69 118.70 116.03 1nug s GLU 652 Ca 0.00 -0.03 0.03 0.00 -0.41 0.00 0.00 54.97 54.56 1nug s GLU 652 Cb 0.00 -1.89 0.01 0.00 -1.78 0.00 0.00 34.13 30.46 1nug s GLU 652 CO 0.00 -1.99 -0.14 0.50 -0.49 0.00 0.00 175.26 173.14 1nug s ARG 653 N -5.63 1.67 -0.30 1.61 3.52 -1.26 -1.42 118.95 117.14 1nug s ARG 653 Ca 0.66 -0.48 -0.17 0.00 -0.13 0.00 0.00 55.73 55.62 1nug s ARG 653 Cb -0.09 -1.41 -0.02 0.00 -1.56 0.00 0.00 34.95 31.87 1nug s ARG 653 CO 0.51 0.11 0.47 0.45 -0.81 0.00 0.00 175.30 176.03 1nug s SER 654 N 0.39 6.32 -0.33 -2.12 0.15 0.15 -4.95 113.70 113.31 1nug s SER 654 Ca -0.10 0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.73 1nug s SER 654 Cb -0.14 -2.25 0.06 0.00 -1.71 0.00 0.00 66.02 61.99 1nug s SER 654 CO 0.03 -0.34 0.07 -0.60 1.20 0.00 0.00 173.24 173.60 1nug s ARG 655 N 2.26 2.32 -0.06 5.44 3.00 -1.26 -2.08 118.95 128.57 1nug s ARG 655 Ca 0.18 -1.41 0.03 0.00 -1.00 0.00 0.00 55.73 53.53 1nug s ARG 655 Cb -0.16 -3.32 -0.03 0.00 0.00 0.00 0.00 34.95 31.45 1nug s ARG 655 CO 0.11 -0.75 -0.12 0.08 0.00 0.00 0.00 175.30 174.62 1nug s VAL 656 N 1.23 3.26 0.01 7.11 1.01 -0.46 -4.97 120.40 127.60 1nug s VAL 656 Ca -0.01 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1nug s VAL 656 Cb -0.20 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1nug s VAL 656 CO -0.02 0.59 -0.25 -0.13 0.00 0.00 0.00 175.10 175.29 1nug s ARG 657 N -0.72 1.99 -0.03 2.72 0.52 -1.26 -0.67 118.95 121.50 1nug s ARG 657 Ca 0.11 -1.00 -0.29 0.00 -0.52 0.00 0.00 55.73 54.03 1nug s ARG 657 Cb -0.11 -2.03 0.08 0.00 0.52 0.00 0.00 34.95 33.41 1nug s ARG 657 CO 0.01 0.54 0.74 -0.59 0.02 0.00 0.00 175.30 176.02 1nug s PHE 658 N -0.71 -0.56 0.23 -0.53 -0.12 -1.02 -5.03 117.98 110.22 1nug s PHE 658 Ca 0.11 0.83 0.06 0.00 -0.05 0.00 0.00 56.93 57.88 1nug s PHE 658 Cb -0.10 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 1nug s PHE 658 CO 0.01 -0.60 0.20 -0.51 -0.05 0.00 0.00 175.22 174.26 1nug s ASP 659 N -1.55 5.61 0.11 1.98 -0.00 -1.26 -0.51 116.67 121.05 1nug s ASP 659 Ca -0.06 -0.19 0.03 0.00 -0.00 0.00 0.00 52.55 52.34 1nug s ASP 659 Cb -0.00 -1.46 -0.04 0.00 -0.00 0.00 0.00 42.92 41.41 1nug s ASP 659 CO 0.03 -0.01 -0.09 0.27 -0.00 0.00 0.00 175.17 175.36 1nug s ILE 660 N -2.03 0.96 -0.47 0.77 -4.36 -0.01 -4.93 121.20 111.13 1nug s ILE 660 Ca 0.33 -1.86 0.03 0.00 -0.26 0.00 0.00 60.65 58.89 1nug s ILE 660 Cb -0.09 -1.60 0.14 0.00 1.25 0.00 0.00 42.46 42.17 1nug s ILE 660 CO 0.25 -0.70 0.28 -0.22 0.24 0.00 0.00 174.94 174.79 1nug s LEU 661 N -2.84 2.75 0.14 0.37 2.96 -0.93 0.19 118.68 121.31 1nug s LEU 661 Ca 0.11 -2.82 -0.35 0.00 -0.22 0.00 0.00 54.13 50.85 1nug s LEU 661 Cb 0.01 -1.02 -0.16 0.00 0.50 0.00 0.00 46.19 45.53 1nug s LEU 661 CO -0.01 -0.23 1.31 -2.65 -1.32 0.00 0.00 176.35 173.44 1nug n PRO 662 N 3.27 1.32 0.00 0.98 -0.02 -1.13 -4.47 135.00 134.95 1nug n PRO 662 Ca 0.13 0.47 0.04 0.00 -2.02 0.00 0.00 63.50 62.12 1nug n PRO 662 Cb 0.36 -2.08 -0.04 0.00 -0.02 0.00 0.00 33.50 31.72 1nug n PRO 662 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1nug n SER 663 N 2.41 0.48 -3.77 2.55 3.41 -0.64 -0.36 113.62 117.70 1nug n SER 663 Ca 0.17 -0.74 -0.13 0.00 -0.26 0.00 0.00 58.87 57.91 1nug n SER 663 Cb 0.23 0.94 -0.12 0.00 -0.26 0.00 0.00 64.21 65.00 1nug n SER 663 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1nug s ARG 664 N -1.74 0.30 0.54 4.33 3.52 -1.22 -4.87 118.95 119.81 1nug s ARG 664 Ca 0.04 0.39 -0.13 0.00 -0.13 0.00 0.00 55.73 55.90 1nug s ARG 664 Cb 0.06 0.12 -0.06 0.00 -1.56 0.00 0.00 34.95 33.52 1nug s ARG 664 CO 0.33 -0.05 0.96 -1.54 -0.81 0.00 0.00 175.30 174.20 1nug s SER 665 N 0.27 6.46 0.00 -2.12 1.04 -1.26 -4.82 113.70 113.26 1nug s SER 665 Ca -0.01 1.43 0.00 0.00 0.48 0.00 0.00 55.95 57.85 1nug s SER 665 Cb -0.03 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.63 1nug s SER 665 CO -0.01 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1nug n GLY 666 N -1.99 0.46 3.50 7.32 0.00 -0.66 -4.93 105.19 108.90 1nug n GLY 666 Ca 0.06 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 1nug n GLY 666 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nug s THR 667 N -0.63 4.25 0.27 2.61 2.01 -1.26 -0.12 115.64 122.77 1nug s THR 667 Ca 0.00 0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.16 1nug s THR 667 Cb 0.00 -4.65 -0.02 0.00 0.01 0.00 0.00 72.50 67.83 1nug s THR 667 CO 0.00 -1.35 0.40 -0.54 -0.69 0.00 0.00 174.62 172.44 1nug s LYS 668 N 4.29 3.34 -0.20 4.92 -0.14 0.13 -4.90 119.74 127.18 1nug s LYS 668 Ca 0.29 -0.84 0.02 0.00 -1.36 0.00 0.00 55.97 54.07 1nug s LYS 668 Cb -0.13 -2.87 0.03 0.00 -1.68 0.00 0.00 37.83 33.18 1nug s LYS 668 CO 0.16 0.31 -0.17 -1.14 -0.76 0.00 0.00 175.35 173.74 1nug s GLN 669 N -4.04 2.78 -0.17 1.68 0.74 -1.26 0.10 119.66 119.49 1nug s GLN 669 Ca 0.38 -0.96 -0.11 0.00 0.05 0.00 0.00 55.36 54.72 1nug s GLN 669 Cb -0.09 -2.65 -0.05 0.00 1.10 0.00 0.00 33.01 31.32 1nug s GLN 669 CO 0.30 -0.31 0.18 -1.17 -0.55 0.00 0.00 175.29 173.74 1nug s LEU 670 N 1.24 4.27 0.07 3.68 2.96 -0.28 -4.46 118.68 126.15 1nug s LEU 670 Ca 0.01 0.38 0.08 0.00 -0.22 0.00 0.00 54.13 54.38 1nug s LEU 670 Cb -0.15 -2.18 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 1nug s LEU 670 CO -0.11 0.21 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.17 1nug s LEU 671 N 0.05 2.23 -0.05 -0.68 1.43 -0.29 -1.16 118.68 120.21 1nug s LEU 671 Ca 0.12 -0.60 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 1nug s LEU 671 Cb -0.12 -0.91 0.02 0.00 0.03 0.00 0.00 46.19 45.21 1nug s LEU 671 CO 0.01 0.10 0.23 0.00 0.23 0.00 0.00 176.35 176.93 1nug s ALA 672 N -0.98 -0.57 -0.07 4.21 0.00 -0.83 -1.50 121.76 122.01 1nug s ALA 672 Ca 0.07 0.42 0.05 0.00 0.00 0.00 0.00 51.96 52.50 1nug s ALA 672 Cb -0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1nug s ALA 672 CO 0.03 -0.17 -0.24 0.34 0.00 0.00 0.00 175.76 175.72 1nug s ASP 673 N -0.53 3.05 -0.15 0.00 2.15 0.58 -1.42 116.67 120.35 1nug s ASP 673 Ca -0.06 -0.53 0.02 0.00 0.43 0.00 0.00 52.55 52.41 1nug s ASP 673 Cb -0.04 -1.06 0.02 0.00 -0.30 0.00 0.00 42.92 41.54 1nug s ASP 673 CO 0.01 0.21 -0.19 0.12 -0.17 0.00 0.00 175.17 175.15 1nug s PHE 674 N 0.04 2.55 -0.02 -5.34 5.36 0.81 -0.82 117.98 120.57 1nug s PHE 674 Ca -0.10 -1.39 0.04 0.00 -0.96 0.00 0.00 56.93 54.53 1nug s PHE 674 Cb -0.15 -1.78 -0.01 0.00 -0.34 0.00 0.00 43.02 40.74 1nug s PHE 674 CO 0.06 -0.68 -0.15 -1.12 -1.46 0.00 0.00 175.22 171.87 1nug s SER 675 N 1.11 1.77 0.18 6.13 0.01 -0.69 0.34 113.70 122.55 1nug s SER 675 Ca -0.01 -0.28 -0.12 0.00 1.31 0.00 0.00 55.95 56.85 1nug s SER 675 Cb -0.14 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.80 1nug s SER 675 CO -0.07 0.16 0.38 0.00 0.41 0.00 0.00 173.24 174.12 1nug h ASN 677 N 2.41 0.51 0.47 0.00 -0.00 -1.45 -1.48 115.58 116.04 1nug h ASN 677 Ca -0.30 0.14 0.00 0.00 -0.00 0.00 0.00 56.30 56.14 1nug h ASN 677 Cb 1.24 0.08 0.00 0.00 -0.00 0.00 0.00 38.32 39.64 1nug h ASN 677 CO 0.44 -0.02 -1.40 0.29 -0.00 0.00 0.00 177.43 176.74 1nug n LYS 678 N -4.86 0.55 -3.68 4.14 4.76 -1.26 -4.74 118.16 113.07 1nug n LYS 678 Ca 0.30 -0.03 -0.29 0.00 -2.87 0.00 0.00 58.31 55.42 1nug n LYS 678 Cb 0.95 -1.65 -0.12 0.00 -1.84 0.00 0.00 35.03 32.36 1nug n LYS 678 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1nug s PHE 679 N -3.38 2.08 0.23 2.13 0.40 -0.56 -5.11 117.98 113.77 1nug s PHE 679 Ca -0.02 -2.55 -0.30 0.00 -0.60 0.00 0.00 56.93 53.46 1nug s PHE 679 Cb 0.12 -1.84 -0.09 0.00 0.51 0.00 0.00 43.02 41.72 1nug s PHE 679 CO 0.84 -0.75 1.10 -1.25 0.70 0.00 0.00 175.22 175.86 1nug s PRO 680 N 0.01 4.62 -0.97 0.24 0.04 -1.24 -2.30 135.00 135.41 1nug s PRO 680 Ca 0.21 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.91 1nug s PRO 680 Cb -0.16 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 1nug s PRO 680 CO -0.06 0.16 0.74 0.00 0.04 0.00 0.00 177.00 177.88 1nug n ALA 681 N 1.73 -2.59 -2.50 8.56 0.00 -1.22 -4.83 120.51 119.65 1nug n ALA 681 Ca 0.01 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 52.89 1nug n ALA 681 Cb 0.45 -2.89 -0.05 0.00 0.00 0.00 0.00 19.45 16.96 1nug n ALA 681 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nug s ILE 682 N -3.25 4.87 0.02 0.00 1.01 0.15 -4.85 121.20 119.17 1nug s ILE 682 Ca 0.26 1.45 0.01 0.00 0.00 0.00 0.00 60.65 62.37 1nug s ILE 682 Cb -0.09 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1nug s ILE 682 CO 0.83 0.36 0.07 -0.54 0.00 0.00 0.00 174.94 175.66 1nug s LYS 683 N 0.10 2.98 0.02 2.79 -0.14 -1.26 -0.14 119.74 124.09 1nug s LYS 683 Ca 0.36 -0.57 -0.00 0.00 -1.36 0.00 0.00 55.97 54.40 1nug s LYS 683 Cb -0.19 -2.80 -0.02 0.00 -1.68 0.00 0.00 37.83 33.14 1nug s LYS 683 CO 0.20 0.62 -0.02 0.00 -0.76 0.00 0.00 175.35 175.38 1nug s ALA 684 N -1.25 0.10 -0.08 5.17 0.00 -0.51 -4.56 121.76 120.62 1nug s ALA 684 Ca 0.25 -0.49 -0.08 0.00 0.00 0.00 0.00 51.96 51.64 1nug s ALA 684 Cb -0.12 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1nug s ALA 684 CO 0.16 -0.13 0.23 1.41 0.00 0.00 0.00 175.76 177.42 1nug s MET 685 N -1.23 0.26 -0.14 0.00 1.75 -1.26 -1.96 119.30 116.72 1nug s MET 685 Ca -0.13 0.31 -0.04 0.00 -1.25 0.00 0.00 55.69 54.58 1nug s MET 685 Cb -0.08 0.13 0.07 0.00 2.84 0.00 0.00 34.83 37.78 1nug s MET 685 CO -0.01 -0.03 0.19 -1.17 -0.65 0.00 0.00 175.02 173.35 1nug s LEU 686 N 0.13 -0.10 0.21 4.11 2.96 -0.31 -4.84 118.68 120.85 1nug s LEU 686 Ca -0.00 0.10 -0.30 0.00 -0.22 0.00 0.00 54.13 53.71 1nug s LEU 686 Cb -0.02 0.35 -0.08 0.00 0.50 0.00 0.00 46.19 46.94 1nug s LEU 686 CO 0.00 -0.28 1.07 -0.55 -1.32 0.00 0.00 176.35 175.27 1nug s SER 687 N 2.31 7.34 -0.05 3.68 0.15 -1.26 -1.13 113.70 124.74 1nug s SER 687 Ca 0.04 2.11 -0.00 0.00 0.70 0.00 0.00 55.95 58.79 1nug s SER 687 Cb -0.14 -2.61 0.03 0.00 -1.71 0.00 0.00 66.02 61.59 1nug s SER 687 CO -0.09 -0.13 0.01 -0.63 1.20 0.00 0.00 173.24 173.59 1nug s ILE 688 N -0.64 0.23 -0.42 6.45 1.01 0.12 -4.95 121.20 123.00 1nug s ILE 688 Ca 0.47 0.13 -0.22 0.00 0.00 0.00 0.00 60.65 61.02 1nug s ILE 688 Cb -0.29 -0.37 0.02 0.00 0.01 0.00 0.00 42.46 41.83 1nug s ILE 688 CO 0.36 0.20 0.73 -1.81 0.00 0.00 0.00 174.94 174.42 1nug s ASP 689 N 1.49 6.41 -0.19 3.58 1.01 -1.26 0.20 116.67 127.91 1nug s ASP 689 Ca -0.03 -0.07 -0.20 0.00 0.71 0.00 0.00 52.55 52.96 1nug s ASP 689 Cb -0.13 -2.36 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 1nug s ASP 689 CO -0.03 -0.82 0.58 -0.69 0.21 0.00 0.00 175.17 174.42 1nug s VAL 690 N 3.07 5.07 0.61 -1.27 1.01 0.83 -4.52 120.40 125.21 1nug s VAL 690 Ca 0.28 1.09 -0.07 0.00 0.00 0.00 0.00 61.98 63.28 1nug s VAL 690 Cb -0.13 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.36 1nug s VAL 690 CO 0.20 0.16 0.94 0.00 0.00 0.00 0.00 175.10 176.40 1nug s ALA 691 N 1.65 3.22 -2.40 5.51 0.00 0.21 -1.65 121.76 128.30 1nug s ALA 691 Ca 0.27 -0.63 0.29 0.00 0.00 0.00 0.00 51.96 51.89 1nug s ALA 691 Cb -0.16 -2.69 1.23 0.00 0.00 0.00 0.00 23.12 21.51 1nug s ALA 691 CO 0.10 -0.86 1.85 -1.91 0.00 0.00 0.00 175.76 174.94