#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0r s GLY 3 N 0.00 0.17 -0.04 -1.23 0.00 -1.26 -5.09 107.32 99.87 1x0r s GLY 3 Ca 0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 44.72 44.20 1x0r s GLY 3 CO 0.00 -0.41 0.00 -0.45 0.00 0.00 0.00 173.10 172.24 1x0r s SER 4 N -2.94 5.19 0.17 1.64 0.15 -1.26 -5.08 113.70 111.56 1x0r s SER 4 Ca 0.15 0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.88 1x0r s SER 4 Cb -0.01 -1.41 -0.05 0.00 -1.71 0.00 0.00 66.02 62.84 1x0r s SER 4 CO 0.03 0.33 0.00 0.27 1.20 0.00 0.00 173.24 175.07 1x0r s ILE 5 N -0.99 0.65 0.78 6.45 -4.36 -1.26 -3.70 121.20 118.76 1x0r s ILE 5 Ca 0.17 -1.98 -0.11 0.00 -0.26 0.00 0.00 60.65 58.47 1x0r s ILE 5 Cb -0.11 -2.10 0.06 0.00 1.25 0.00 0.00 42.46 41.55 1x0r s ILE 5 CO 0.07 -0.49 1.10 -2.84 0.24 0.00 0.00 174.94 173.01 1x0r s PRO 6 N -3.92 2.27 0.24 0.37 0.02 -1.26 -5.02 135.00 127.70 1x0r s PRO 6 Ca 0.24 0.62 0.11 0.00 0.02 0.00 0.00 61.00 61.99 1x0r s PRO 6 Cb 0.06 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.59 1x0r s PRO 6 CO 0.04 -1.49 -0.21 -0.51 -0.33 0.00 0.00 177.00 174.50 1x0r s LEU 7 N -5.69 2.52 0.42 -5.54 1.43 -1.26 -5.07 118.68 105.49 1x0r s LEU 7 Ca 0.60 -0.96 -0.26 0.00 -1.03 0.00 0.00 54.13 52.48 1x0r s LEU 7 Cb -0.14 -1.09 -0.09 0.00 0.03 0.00 0.00 46.19 44.90 1x0r s LEU 7 CO 0.54 0.06 1.44 -0.63 0.23 0.00 0.00 176.35 177.98 1x0r s ILE 8 N -2.20 2.11 0.00 -0.59 1.01 -1.26 -1.74 121.20 118.52 1x0r s ILE 8 Ca 0.26 0.10 0.00 0.00 0.00 0.00 0.00 60.65 61.01 1x0r s ILE 8 Cb -0.06 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.35 1x0r s ILE 8 CO 0.12 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.69 1x0r n GLY 9 N 0.54 3.42 3.92 6.18 0.00 0.56 -5.00 105.19 114.82 1x0r n GLY 9 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1x0r n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x0r s GLU 10 N -0.84 3.54 0.36 1.61 2.02 -0.71 -4.79 118.70 119.90 1x0r s GLU 10 Ca 0.00 -0.07 -0.27 0.00 0.02 0.00 0.00 54.97 54.64 1x0r s GLU 10 Cb 0.00 -2.56 -0.09 0.00 0.10 0.00 0.00 34.13 31.57 1x0r s GLU 10 CO 0.00 0.05 1.26 0.50 0.02 0.00 0.00 175.26 177.09 1x0r s ARG 11 N -4.27 4.21 0.42 1.61 3.52 -1.26 -0.87 118.95 122.31 1x0r s ARG 11 Ca 0.43 2.09 -0.26 0.00 -0.13 0.00 0.00 55.73 57.86 1x0r s ARG 11 Cb -0.10 -2.91 -0.10 0.00 -1.56 0.00 0.00 34.95 30.28 1x0r s ARG 11 CO 0.37 -0.27 1.41 0.34 -0.81 0.00 0.00 175.30 176.35 1x0r n PHE 12 N 0.50 2.67 -1.59 5.12 7.35 0.20 -4.78 117.46 126.92 1x0r n PHE 12 Ca 0.02 0.46 -0.52 0.00 -0.76 0.00 0.00 57.45 56.64 1x0r n PHE 12 Cb 0.43 -2.46 -0.07 0.00 0.35 0.00 0.00 39.48 37.74 1x0r n PHE 12 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1x0r n PRO 13 N 0.06 1.37 -1.71 -7.13 -0.02 -1.26 -4.59 135.00 121.71 1x0r n PRO 13 Ca 0.04 0.46 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 1x0r n PRO 13 Cb 0.40 -2.40 0.07 0.00 -0.02 0.00 0.00 33.50 31.55 1x0r n PRO 13 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1x0r n GLU 14 N 6.96 1.09 -4.96 -0.52 2.13 -1.26 -4.44 120.64 119.64 1x0r n GLU 14 Ca 0.32 0.43 -0.29 0.00 0.66 0.00 0.00 57.16 58.28 1x0r n GLU 14 Cb 0.21 -2.52 -0.17 0.00 0.27 0.00 0.00 31.44 29.24 1x0r n GLU 14 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1x0r s GLU 16 N -3.36 2.47 0.09 5.31 2.12 -1.26 -4.98 118.70 119.09 1x0r s GLU 16 Ca 0.83 -0.69 0.05 0.00 0.36 0.00 0.00 54.97 55.52 1x0r s GLU 16 Cb -0.38 -1.92 -0.03 0.00 0.26 0.00 0.00 34.13 32.05 1x0r s GLU 16 CO 0.41 0.13 -0.14 0.14 -0.54 0.00 0.00 175.26 175.26 1x0r s VAL 17 N 0.45 1.18 -0.20 3.70 -7.23 0.99 -4.95 120.40 114.33 1x0r s VAL 17 Ca -0.16 -1.51 -0.13 0.00 -1.81 0.00 0.00 61.98 58.36 1x0r s VAL 17 Cb -0.17 -1.29 -0.05 0.00 0.56 0.00 0.00 36.38 35.43 1x0r s VAL 17 CO 0.07 -0.34 0.25 -0.89 -0.31 0.00 0.00 175.10 173.88 1x0r s THR 18 N -1.77 5.31 0.30 5.32 2.01 -1.26 -0.97 115.64 124.58 1x0r s THR 18 Ca 0.03 0.42 0.06 0.00 0.31 0.00 0.00 61.69 62.51 1x0r s THR 18 Cb -0.07 -3.59 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 1x0r s THR 18 CO 0.02 0.35 -0.04 0.42 -0.69 0.00 0.00 174.62 174.68 1x0r s THR 19 N 0.86 1.64 -2.00 -0.82 -4.23 -0.17 -0.32 115.64 110.60 1x0r s THR 19 Ca 0.13 -2.10 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 1x0r s THR 19 Cb -0.13 -2.56 0.06 0.00 1.34 0.00 0.00 72.50 71.21 1x0r s THR 19 CO 0.04 -0.22 0.97 -0.90 -0.54 0.00 0.00 174.62 173.97 1x0r n ASP 20 N -0.64 0.00 -0.61 3.99 5.68 -0.39 -0.46 116.55 124.12 1x0r n ASP 20 Ca -0.05 -1.70 0.07 0.00 -0.50 0.00 0.00 54.79 52.61 1x0r n ASP 20 Cb 0.64 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.71 1x0r n ASP 20 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1x0r n HIS 21 N -0.54 0.14 0.00 2.11 8.25 -1.26 -4.97 115.22 118.94 1x0r n HIS 21 Ca 0.02 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1x0r n HIS 21 Cb 0.01 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1x0r n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x0r n GLY 22 N 0.77 0.87 3.76 -1.41 0.00 0.40 -5.02 105.19 104.56 1x0r n GLY 22 Ca 0.10 -2.26 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 1x0r n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0r s VAL 23 N -0.96 4.77 0.12 1.61 1.01 -1.26 -1.00 120.40 124.69 1x0r s VAL 23 Ca 0.00 1.43 -0.00 0.00 0.00 0.00 0.00 61.98 63.41 1x0r s VAL 23 Cb 0.00 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1x0r s VAL 23 CO 0.00 0.42 0.02 0.27 0.00 0.00 0.00 175.10 175.81 1x0r s ILE 24 N -0.34 0.32 -0.19 2.22 -4.36 -0.14 -4.94 121.20 113.76 1x0r s ILE 24 Ca 0.34 -1.91 -0.06 0.00 -0.26 0.00 0.00 60.65 58.76 1x0r s ILE 24 Cb -0.20 -1.93 -0.03 0.00 1.25 0.00 0.00 42.46 41.55 1x0r s ILE 24 CO 0.20 -0.61 0.02 -0.75 0.24 0.00 0.00 174.94 174.04 1x0r s LYS 25 N -3.97 3.74 0.06 0.37 2.20 -1.26 -0.01 119.74 120.87 1x0r s LYS 25 Ca 0.20 -0.46 0.05 0.00 -0.36 0.00 0.00 55.97 55.39 1x0r s LYS 25 Cb 0.07 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.25 1x0r s LYS 25 CO -0.01 0.12 -0.05 -0.51 -0.36 0.00 0.00 175.35 174.54 1x0r s LEU 26 N 0.74 3.26 0.00 5.43 1.43 -1.26 -0.92 118.68 127.35 1x0r s LEU 26 Ca 0.01 -0.21 0.29 0.00 -1.03 0.00 0.00 54.13 53.19 1x0r s LEU 26 Cb -0.14 -1.96 1.35 0.00 0.03 0.00 0.00 46.19 45.48 1x0r s LEU 26 CO 0.02 0.22 1.92 -0.81 0.23 0.00 0.00 176.35 177.93 1x0r n PRO 27 N 1.00 1.18 -0.35 1.29 -0.04 -1.26 -4.22 135.00 132.60 1x0r n PRO 27 Ca -0.13 -0.46 0.05 0.00 -0.04 0.00 0.00 63.50 62.92 1x0r n PRO 27 Cb 0.52 -1.49 0.22 0.00 -0.04 0.00 0.00 33.50 32.71 1x0r n PRO 27 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1x0r h ASP 28 N 1.13 0.96 -0.92 3.54 5.19 -1.94 0.20 116.42 124.57 1x0r h ASP 28 Ca 0.00 0.03 0.15 0.00 -0.62 0.00 0.00 57.03 56.59 1x0r h ASP 28 Cb 0.31 -0.17 -0.08 0.00 0.18 0.00 0.00 39.33 39.57 1x0r h ASP 28 CO 0.00 0.57 0.59 -0.74 -3.12 0.00 0.00 179.24 176.54 1x0r h HIS 29 N 1.06 0.88 0.10 4.55 2.76 -1.38 0.12 115.15 123.25 1x0r h HIS 29 Ca 0.46 0.03 -0.36 0.00 -2.20 0.00 0.00 60.37 58.29 1x0r h HIS 29 Cb 0.33 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 1x0r h HIS 29 CO -0.00 0.30 -2.02 0.66 -1.30 0.00 0.00 177.93 175.58 1x0r n TYR 30 N -4.59 1.11 -0.27 5.26 4.02 -0.73 -3.90 117.16 118.05 1x0r n TYR 30 Ca 0.19 0.25 0.00 0.00 -0.01 0.00 0.00 57.90 58.32 1x0r n TYR 30 Cb 0.49 -1.14 0.13 0.00 -0.02 0.00 0.00 39.34 38.79 1x0r n TYR 30 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1x0r h VAL 31 N -0.00 0.97 -0.97 -0.72 2.07 -0.50 0.32 116.25 117.42 1x0r h VAL 31 Ca -0.44 -0.27 0.17 0.00 0.82 0.00 0.00 66.70 66.98 1x0r h VAL 31 Cb 1.98 0.11 -0.09 0.00 -1.52 0.00 0.00 31.29 31.77 1x0r h VAL 31 CO 0.05 0.15 0.61 0.28 0.02 0.00 0.00 177.57 178.67 1x0r h SER 32 N 0.80 0.72 0.01 0.57 0.02 -0.94 0.46 113.55 115.20 1x0r h SER 32 Ca 0.35 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1x0r h SER 32 Cb 0.22 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1x0r h SER 32 CO -0.20 0.30 -0.01 0.00 -1.14 0.00 0.00 176.83 175.79 1x0r n GLN 33 N -4.66 1.36 -1.30 3.45 6.02 -0.70 -4.93 117.38 116.63 1x0r n GLN 33 Ca 0.21 -0.58 -0.10 0.00 -0.01 0.00 0.00 57.00 56.52 1x0r n GLN 33 Cb 0.54 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.27 1x0r n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x0r n GLY 34 N 1.12 1.17 3.91 1.08 0.00 0.16 -5.00 105.19 107.62 1x0r n GLY 34 Ca 0.20 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 1x0r n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x0r s LYS 35 N -2.80 3.42 0.73 1.61 1.02 0.02 -4.82 119.74 118.93 1x0r s LYS 35 Ca 0.00 -0.39 -0.09 0.00 0.02 0.00 0.00 55.97 55.51 1x0r s LYS 35 Cb 0.00 -3.06 0.06 0.00 -0.52 0.00 0.00 37.83 34.31 1x0r s LYS 35 CO 0.00 0.64 1.07 -1.58 -0.92 0.00 0.00 175.35 174.57 1x0r s TRP 36 N -1.41 2.99 0.02 3.18 0.52 -0.66 -4.05 118.94 119.53 1x0r s TRP 36 Ca 0.31 0.63 -0.11 0.00 0.02 0.00 0.00 56.10 56.95 1x0r s TRP 36 Cb -0.13 -3.26 0.01 0.00 -1.15 0.00 0.00 33.47 28.94 1x0r s TRP 36 CO 0.23 -1.48 0.22 -0.59 0.02 0.00 0.00 176.95 175.36 1x0r s PHE 37 N -3.36 -0.03 -0.23 -1.98 -0.12 -0.16 -1.25 117.98 110.86 1x0r s PHE 37 Ca 0.60 -0.08 -0.04 0.00 -0.05 0.00 0.00 56.93 57.36 1x0r s PHE 37 Cb -0.11 0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 42.29 1x0r s PHE 37 CO 0.47 -0.39 -0.03 0.08 -0.05 0.00 0.00 175.22 175.30 1x0r s VAL 38 N -1.94 3.42 -0.21 -2.49 1.01 0.12 -1.09 120.40 119.22 1x0r s VAL 38 Ca -0.10 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 1x0r s VAL 38 Cb -0.04 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1x0r s VAL 38 CO -0.00 0.39 0.09 -0.22 0.00 0.00 0.00 175.10 175.36 1x0r s LEU 39 N 1.48 3.84 0.06 3.92 2.96 -0.78 -0.78 118.68 129.38 1x0r s LEU 39 Ca 0.05 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1x0r s LEU 39 Cb -0.15 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1x0r s LEU 39 CO -0.03 0.11 -0.06 0.72 -1.32 0.00 0.00 176.35 175.77 1x0r s PHE 40 N 0.76 0.72 0.24 5.38 -0.12 -0.79 0.18 117.98 124.35 1x0r s PHE 40 Ca 0.05 -0.73 0.10 0.00 -0.05 0.00 0.00 56.93 56.30 1x0r s PHE 40 Cb -0.13 -0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 41.78 1x0r s PHE 40 CO 0.02 -0.15 -0.18 -1.54 -0.05 0.00 0.00 175.22 173.32 1x0r s SER 41 N -2.32 3.15 0.03 1.98 1.04 0.37 -1.18 113.70 116.77 1x0r s SER 41 Ca 0.00 -1.02 -0.05 0.00 0.48 0.00 0.00 55.95 55.36 1x0r s SER 41 Cb -0.02 -0.23 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 1x0r s SER 41 CO -0.03 -0.04 0.09 -1.38 0.98 0.00 0.00 173.24 172.86 1x0r s HIS 42 N -2.66 0.19 0.14 5.02 -3.43 -0.18 -3.86 115.29 110.51 1x0r s HIS 42 Ca 0.26 -0.47 -0.18 0.00 -0.80 0.00 0.00 55.06 53.87 1x0r s HIS 42 Cb -0.03 -0.14 -0.02 0.00 -1.43 0.00 0.00 32.58 30.95 1x0r s HIS 42 CO 0.11 -0.35 1.78 -1.00 -2.00 0.00 0.00 174.74 173.28 1x0r h PRO 43 N 3.77 0.42 -1.71 -0.38 0.13 -1.73 -3.38 132.00 129.12 1x0r h PRO 43 Ca -0.32 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 64.81 1x0r h PRO 43 Cb 1.19 -0.09 -0.25 0.00 0.13 0.00 0.00 31.00 31.98 1x0r h PRO 43 CO 0.49 0.30 0.35 0.00 -0.23 0.00 0.00 178.00 178.91 1x0r s ALA 44 N -6.08 -1.94 0.73 -0.56 0.00 -1.26 -4.32 121.76 108.33 1x0r s ALA 44 Ca -0.13 1.97 -0.14 0.00 0.00 0.00 0.00 51.96 53.65 1x0r s ALA 44 Cb 0.10 -1.40 0.04 0.00 0.00 0.00 0.00 23.12 21.86 1x0r s ALA 44 CO 0.71 -0.28 1.16 -0.51 0.00 0.00 0.00 175.76 176.85 1x0r s ASP 45 N 0.41 4.34 -1.15 0.00 1.01 -1.26 -3.13 116.67 116.89 1x0r s ASP 45 Ca 0.01 2.19 -0.03 0.00 0.71 0.00 0.00 52.55 55.42 1x0r s ASP 45 Cb -0.05 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1x0r s ASP 45 CO -0.06 -2.16 0.45 0.49 0.21 0.00 0.00 175.17 174.10 1x0r n PHE 46 N -2.88 -1.44 -4.65 4.23 3.01 -1.26 -5.02 117.46 109.45 1x0r n PHE 46 Ca 0.12 0.38 -0.23 0.00 1.01 0.00 0.00 57.45 58.73 1x0r n PHE 46 Cb 0.51 -3.59 -0.15 0.00 -0.01 0.00 0.00 39.48 36.25 1x0r n PHE 46 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1x0r s THR 47 N -3.01 1.31 0.13 4.37 -4.23 -1.18 -5.09 115.64 107.94 1x0r s THR 47 Ca 0.22 -0.84 -0.19 0.00 -1.18 0.00 0.00 61.69 59.70 1x0r s THR 47 Cb -0.10 -1.12 -0.05 0.00 1.34 0.00 0.00 72.50 72.58 1x0r s THR 47 CO 0.27 0.26 1.76 1.55 -0.54 0.00 0.00 174.62 177.92 1x0r h PRO 48 N 5.41 0.20 -0.32 3.99 0.13 -1.95 -1.54 132.00 137.91 1x0r h PRO 48 Ca -0.37 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1x0r h PRO 48 Cb 1.16 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1x0r h PRO 48 CO 0.47 0.13 0.08 0.28 -0.23 0.00 0.00 178.00 178.73 1x0r h VAL 49 N 0.20 1.22 -0.90 1.56 2.07 -1.99 -0.72 116.25 117.68 1x0r h VAL 49 Ca 0.09 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 66.93 1x0r h VAL 49 Cb 0.05 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1x0r h VAL 49 CO -0.08 0.24 0.58 0.00 0.02 0.00 0.00 177.57 178.33 1x0r h THR 51 N 1.13 1.03 -0.55 0.00 2.02 -0.81 -0.16 112.91 115.56 1x0r h THR 51 Ca 0.36 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 67.29 1x0r h THR 51 Cb 0.02 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1x0r h THR 51 CO -0.12 0.11 0.14 0.71 0.37 0.00 0.00 175.52 176.72 1x0r h THR 52 N 0.60 1.23 -0.55 3.16 1.35 0.05 -1.57 112.91 117.18 1x0r h THR 52 Ca 0.22 -0.82 -0.05 0.00 -0.55 0.00 0.00 66.41 65.21 1x0r h THR 52 Cb 0.06 0.66 -0.02 0.00 -1.73 0.00 0.00 68.15 67.11 1x0r h THR 52 CO -0.11 0.31 0.15 -0.33 -0.25 0.00 0.00 175.52 175.28 1x0r h GLU 53 N 0.81 0.87 -0.12 4.72 5.08 -0.86 -1.61 114.58 123.48 1x0r h GLU 53 Ca 0.18 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1x0r h GLU 53 Cb 0.29 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1x0r h GLU 53 CO -0.00 0.81 0.07 0.74 -1.00 0.00 0.00 179.01 179.63 1x0r h PHE 54 N 0.78 0.17 -0.63 4.33 -1.00 -0.50 0.53 116.94 120.61 1x0r h PHE 54 Ca 0.17 -0.00 0.10 0.00 2.81 0.00 0.00 57.97 61.05 1x0r h PHE 54 Cb 0.32 -0.05 -0.07 0.00 3.61 0.00 0.00 35.95 39.76 1x0r h PHE 54 CO 0.02 0.17 0.25 0.28 -1.61 0.00 0.00 178.31 177.43 1x0r h VAL 55 N 0.11 0.78 -0.27 -0.55 2.07 -1.31 0.71 116.25 117.80 1x0r h VAL 55 Ca 0.04 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1x0r h VAL 55 Cb 0.06 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1x0r h VAL 55 CO -0.01 0.08 0.02 -1.28 0.02 0.00 0.00 177.57 176.41 1x0r h SER 56 N 0.44 0.44 -0.68 0.57 0.87 -0.79 0.11 113.55 114.51 1x0r h SER 56 Ca 0.32 -0.28 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1x0r h SER 56 Cb 0.39 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 1x0r h SER 56 CO -0.31 0.62 0.45 -0.26 -0.53 0.00 0.00 176.83 176.80 1x0r h PHE 57 N 0.25 0.84 -0.67 2.24 -1.00 -0.70 -2.48 116.94 115.44 1x0r h PHE 57 Ca 0.08 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.82 1x0r h PHE 57 Cb 0.38 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.62 1x0r h PHE 57 CO 0.03 0.52 0.18 0.00 -1.61 0.00 0.00 178.31 177.42 1x0r h ALA 58 N 1.26 0.88 0.00 2.45 0.00 -0.61 -1.08 119.26 122.16 1x0r h ALA 58 Ca 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1x0r h ALA 58 Cb -0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1x0r h ALA 58 CO -0.07 0.58 -0.03 0.00 0.00 0.00 0.00 179.25 179.73 1x0r h ARG 59 N 0.99 0.00 -0.27 0.00 2.47 -0.65 -2.45 114.38 114.47 1x0r h ARG 59 Ca 0.21 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.93 1x0r h ARG 59 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1x0r h ARG 59 CO -0.00 0.03 0.00 0.54 0.56 0.00 0.00 179.97 181.10 1x0r n ARG 60 N -3.14 2.11 -0.27 0.04 1.74 -0.70 -4.63 116.66 111.81 1x0r n ARG 60 Ca 0.01 -1.97 0.08 0.00 -0.77 0.00 0.00 57.85 55.20 1x0r n ARG 60 Cb 0.33 -1.40 0.22 0.00 -1.02 0.00 0.00 32.46 30.59 1x0r n ARG 60 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1x0r h TYR 61 N 3.51 0.51 -0.46 -1.55 3.20 -0.72 -1.31 116.97 120.16 1x0r h TYR 61 Ca 0.00 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 1x0r h TYR 61 Cb 0.82 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 1x0r h TYR 61 CO 0.17 0.00 0.06 1.49 -1.64 0.00 0.00 178.16 178.25 1x0r h GLU 62 N 0.40 0.72 -0.71 1.82 4.81 -1.82 -0.28 114.58 119.52 1x0r h GLU 62 Ca 0.46 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1x0r h GLU 62 Cb 0.77 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1x0r h GLU 62 CO -0.46 0.69 0.23 -0.44 -0.73 0.00 0.00 179.01 178.29 1x0r h ASP 63 N 0.69 1.02 -0.31 1.04 3.32 -1.58 0.18 116.42 120.79 1x0r h ASP 63 Ca 0.15 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 1x0r h ASP 63 Cb 0.33 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1x0r h ASP 63 CO 0.01 0.94 -0.09 -0.26 -1.72 0.00 0.00 179.24 178.12 1x0r h PHE 64 N 1.05 0.68 -0.72 4.55 -1.00 -0.79 -3.05 116.94 117.67 1x0r h PHE 64 Ca 0.23 -0.15 -0.06 0.00 2.81 0.00 0.00 57.97 60.80 1x0r h PHE 64 Cb 0.28 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 39.65 1x0r h PHE 64 CO 0.02 0.80 0.23 0.37 -1.61 0.00 0.00 178.31 178.12 1x0r h GLN 65 N 0.37 1.11 -0.95 1.51 4.15 -0.63 -0.40 115.11 120.26 1x0r h GLN 65 Ca 0.08 -0.23 0.14 0.00 0.77 0.00 0.00 58.65 59.41 1x0r h GLN 65 Cb 0.59 -0.16 -0.08 0.00 0.21 0.00 0.00 27.48 28.04 1x0r h GLN 65 CO 0.03 0.94 0.60 0.00 -1.93 0.00 0.00 178.83 178.48 1x0r h ARG 66 N 1.07 0.79 -0.00 1.69 3.08 -0.71 0.30 114.38 120.60 1x0r h ARG 66 Ca 0.23 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1x0r h ARG 66 Cb 0.29 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1x0r h ARG 66 CO -0.01 0.52 -0.02 1.28 -1.07 0.00 0.00 179.97 180.67 1x0r n LEU 67 N -4.61 0.35 -0.49 3.04 4.77 -0.26 -4.91 117.00 114.88 1x0r n LEU 67 Ca 0.19 -0.05 -0.03 0.00 -0.03 0.00 0.00 56.01 56.10 1x0r n LEU 67 Cb 0.45 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1x0r n LEU 67 CO 0.27 0.06 -0.01 0.61 -1.33 0.00 0.00 177.39 176.99 1x0r n GLY 68 N 1.12 0.46 3.12 -0.72 0.00 0.11 -4.91 105.19 104.37 1x0r n GLY 68 Ca 0.20 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 1x0r n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0r s VAL 69 N -2.46 1.43 0.44 1.61 1.01 -0.60 -1.65 120.40 120.19 1x0r s VAL 69 Ca 0.02 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.37 1x0r s VAL 69 Cb -0.01 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1x0r s VAL 69 CO 0.03 0.42 0.28 -0.62 0.00 0.00 0.00 175.10 175.20 1x0r s ASP 70 N 0.17 4.66 -0.02 3.32 -1.08 -0.38 -3.63 116.67 119.71 1x0r s ASP 70 Ca -0.07 -1.01 0.05 0.00 -0.52 0.00 0.00 52.55 51.00 1x0r s ASP 70 Cb -0.13 -0.35 -0.01 0.00 -1.46 0.00 0.00 42.92 40.98 1x0r s ASP 70 CO 0.03 -0.68 -0.16 -0.76 0.52 0.00 0.00 175.17 174.12 1x0r s LEU 71 N -4.04 1.98 -0.00 -1.34 1.43 -1.26 0.14 118.68 115.58 1x0r s LEU 71 Ca 0.42 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1x0r s LEU 71 Cb 0.01 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.37 1x0r s LEU 71 CO 0.24 0.18 0.00 -0.51 0.23 0.00 0.00 176.35 176.48 1x0r s ILE 72 N -0.21 0.02 0.29 -0.59 2.07 0.04 -4.17 121.20 118.65 1x0r s ILE 72 Ca 0.03 0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.32 1x0r s ILE 72 Cb -0.08 -0.05 0.03 0.00 0.13 0.00 0.00 42.46 42.50 1x0r s ILE 72 CO 0.00 0.02 0.27 0.61 -1.91 0.00 0.00 174.94 173.93 1x0r n GLY 73 N 3.25 2.63 3.64 1.50 0.00 0.16 -1.89 105.19 114.48 1x0r n GLY 73 Ca -0.15 -2.22 -0.07 0.00 0.00 0.00 0.00 46.02 43.58 1x0r n GLY 73 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x0r s LEU 74 N 0.00 -0.86 0.30 0.99 2.96 -0.33 0.51 118.68 122.25 1x0r s LEU 74 Ca 0.20 1.40 -0.03 0.00 -0.22 0.00 0.00 54.13 55.48 1x0r s LEU 74 Cb -0.02 2.30 -0.01 0.00 0.50 0.00 0.00 46.19 48.96 1x0r s LEU 74 CO 0.13 -0.22 0.40 -0.94 -1.32 0.00 0.00 176.35 174.39 1x0r s SER 75 N 1.48 0.65 0.00 3.68 1.04 -1.01 -1.01 113.70 118.53 1x0r s SER 75 Ca -0.09 -1.38 0.11 0.00 0.48 0.00 0.00 55.95 55.07 1x0r s SER 75 Cb -0.05 0.59 0.58 0.00 0.10 0.00 0.00 66.02 67.24 1x0r s SER 75 CO -0.17 -1.17 1.39 1.33 0.98 0.00 0.00 173.24 175.60 1x0r n VAL 76 N -0.48 0.07 -1.91 5.02 0.24 -1.26 -0.78 118.33 119.23 1x0r n VAL 76 Ca 0.01 -0.09 -0.30 0.00 -2.04 0.00 0.00 64.34 61.93 1x0r n VAL 76 Cb 0.62 -0.05 0.05 0.00 -1.47 0.00 0.00 33.84 32.99 1x0r n VAL 76 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1x0r s ASP 77 N -1.31 5.36 0.70 -1.34 1.11 -1.26 -2.47 116.67 117.46 1x0r s ASP 77 Ca 0.18 1.07 -0.11 0.00 0.18 0.00 0.00 52.55 53.87 1x0r s ASP 77 Cb 0.09 -1.85 0.01 0.00 1.07 0.00 0.00 42.92 42.24 1x0r s ASP 77 CO 0.14 -1.39 1.08 -0.94 1.18 0.00 0.00 175.17 175.24 1x0r s SER 78 N -4.38 5.46 0.52 0.27 1.04 -1.26 -3.19 113.70 112.16 1x0r s SER 78 Ca 0.58 1.29 0.30 0.00 0.48 0.00 0.00 55.95 58.60 1x0r s SER 78 Cb -0.11 -2.15 1.40 0.00 0.10 0.00 0.00 66.02 65.26 1x0r s SER 78 CO 0.51 -1.35 2.02 -0.37 0.98 0.00 0.00 173.24 175.03 1x0r h VAL 79 N -0.66 0.38 -0.27 5.02 -1.51 -1.94 -1.45 116.25 115.83 1x0r h VAL 79 Ca -0.45 -0.63 -0.07 0.00 -1.23 0.00 0.00 66.70 64.33 1x0r h VAL 79 Cb 1.24 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 31.84 1x0r h VAL 79 CO 0.62 0.11 -0.09 -0.26 -1.23 0.00 0.00 177.57 176.71 1x0r h PHE 80 N 0.00 0.60 -0.19 5.19 -1.00 -1.99 -1.10 116.94 118.44 1x0r h PHE 80 Ca -0.00 -0.14 0.00 0.00 2.81 0.00 0.00 57.97 60.64 1x0r h PHE 80 Cb 0.45 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 1x0r h PHE 80 CO 0.00 0.76 0.12 0.77 -1.61 0.00 0.00 178.31 178.35 1x0r h SER 81 N 0.27 0.22 -0.26 2.17 0.02 -1.89 -0.90 113.55 113.19 1x0r h SER 81 Ca 0.06 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 1x0r h SER 81 Cb 0.58 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.00 1x0r h SER 81 CO 0.03 0.18 -0.17 0.45 -1.14 0.00 0.00 176.83 176.18 1x0r h HIS 82 N 0.25 -0.43 -0.60 3.45 3.86 -1.04 0.24 115.15 120.89 1x0r h HIS 82 Ca 0.07 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1x0r h HIS 82 Cb -0.01 0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 1x0r h HIS 82 CO -0.06 -0.25 0.29 0.82 0.86 0.00 0.00 177.93 179.60 1x0r h ILE 83 N -0.15 1.21 -0.29 2.45 2.04 -1.04 -1.83 117.51 119.89 1x0r h ILE 83 Ca 0.14 -0.58 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 1x0r h ILE 83 Cb 0.37 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1x0r h ILE 83 CO -0.35 0.24 -0.12 0.11 0.00 0.00 0.00 178.15 178.03 1x0r h LYS 84 N 0.81 0.49 -0.23 2.37 1.79 -0.85 -1.47 116.57 119.49 1x0r h LYS 84 Ca 0.21 -0.14 -0.18 0.00 -2.18 0.00 0.00 60.65 58.36 1x0r h LYS 84 Cb 0.11 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1x0r h LYS 84 CO -0.03 0.61 -0.56 2.35 -1.08 0.00 0.00 179.45 180.75 1x0r h TRP 85 N 0.46 1.01 -0.81 -1.35 7.01 -0.33 0.11 115.95 122.04 1x0r h TRP 85 Ca 0.09 -0.38 0.03 0.00 2.11 0.00 0.00 58.89 60.73 1x0r h TRP 85 Cb 0.48 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.32 1x0r h TRP 85 CO 0.02 1.20 0.53 0.87 -2.79 0.00 0.00 178.44 178.27 1x0r h LYS 86 N 0.53 1.01 -0.11 2.65 1.57 -1.17 -0.23 116.57 120.82 1x0r h LYS 86 Ca -0.00 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1x0r h LYS 86 Cb 1.17 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 1x0r h LYS 86 CO 0.12 0.67 -0.05 0.93 -0.57 0.00 0.00 179.45 180.55 1x0r h GLU 87 N 1.04 0.23 -0.22 3.15 5.08 -0.73 -0.96 114.58 122.16 1x0r h GLU 87 Ca 0.31 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1x0r h GLU 87 Cb -0.02 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1x0r h GLU 87 CO -0.08 0.57 -0.09 2.35 -1.00 0.00 0.00 179.01 180.76 1x0r h TRP 88 N -0.12 -0.22 -0.52 4.33 7.01 -0.05 -1.07 115.95 125.32 1x0r h TRP 88 Ca 0.03 0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.13 1x0r h TRP 88 Cb 0.50 0.13 -0.06 0.00 -2.10 0.00 0.00 29.16 27.63 1x0r h TRP 88 CO 0.07 -0.15 0.16 0.82 -2.79 0.00 0.00 178.44 176.55 1x0r h ILE 89 N -0.06 0.79 -0.60 2.65 2.04 -0.90 0.32 117.51 121.74 1x0r h ILE 89 Ca 0.12 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1x0r h ILE 89 Cb 0.23 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1x0r h ILE 89 CO -0.26 0.06 0.32 -0.08 0.00 0.00 0.00 178.15 178.19 1x0r h GLU 90 N 0.33 0.85 -0.09 2.37 4.81 -0.92 0.19 114.58 122.12 1x0r h GLU 90 Ca 0.25 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1x0r h GLU 90 Cb 0.30 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1x0r h GLU 90 CO -0.28 0.65 -0.27 -0.09 -0.73 0.00 0.00 179.01 178.30 1x0r h ARG 91 N 0.82 0.34 0.00 1.92 2.43 -0.88 -1.84 114.38 117.18 1x0r h ARG 91 Ca 0.21 -0.25 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 1x0r h ARG 91 Cb 0.06 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1x0r h ARG 91 CO -0.03 0.86 -1.52 0.72 -1.51 0.00 0.00 179.97 178.49 1x0r n HIS 92 N -4.46 0.87 0.11 2.20 8.25 0.11 -4.32 115.22 117.97 1x0r n HIS 92 Ca -0.08 0.29 0.07 0.00 -0.26 0.00 0.00 57.72 57.75 1x0r n HIS 92 Cb 0.46 -1.06 -0.11 0.00 1.12 0.00 0.00 29.99 30.40 1x0r n HIS 92 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1x0r n ILE 93 N -2.85 0.00 -0.71 1.59 5.41 0.59 -4.65 119.36 118.74 1x0r n ILE 93 Ca -0.11 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.33 1x0r n ILE 93 Cb 0.86 0.30 0.00 0.00 -0.71 0.00 0.00 39.64 40.09 1x0r n ILE 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x0r n GLY 94 N 1.61 0.57 3.04 7.39 0.00 -0.69 -4.89 105.19 112.22 1x0r n GLY 94 Ca -0.02 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 1x0r n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0r s VAL 95 N -2.00 1.13 -0.09 1.61 1.01 -1.20 -4.95 120.40 115.90 1x0r s VAL 95 Ca 0.00 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.28 1x0r s VAL 95 Cb 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1x0r s VAL 95 CO 0.00 0.35 0.57 -0.60 0.00 0.00 0.00 175.10 175.42 1x0r s ARG 96 N 0.48 4.38 -0.31 2.72 3.52 -1.26 -2.84 118.95 125.64 1x0r s ARG 96 Ca -0.11 0.63 -0.21 0.00 -0.13 0.00 0.00 55.73 55.91 1x0r s ARG 96 Cb -0.14 -3.44 -0.01 0.00 -1.56 0.00 0.00 34.95 29.81 1x0r s ARG 96 CO 0.03 0.13 0.68 0.42 -0.81 0.00 0.00 175.30 175.75 1x0r s ILE 97 N 0.67 4.89 -2.69 4.11 -1.09 -1.26 -4.92 121.20 120.90 1x0r s ILE 97 Ca 0.31 0.96 0.24 0.00 -2.23 0.00 0.00 60.65 59.93 1x0r s ILE 97 Cb -0.16 -4.05 0.34 0.00 -1.58 0.00 0.00 42.46 37.00 1x0r s ILE 97 CO 0.14 -0.18 1.39 -0.81 -1.23 0.00 0.00 174.94 174.25 1x0r n PRO 98 N 6.00 2.26 -3.95 2.79 -0.04 -1.26 -4.95 135.00 135.85 1x0r n PRO 98 Ca 0.01 -1.87 -0.23 0.00 -0.04 0.00 0.00 63.50 61.37 1x0r n PRO 98 Cb 0.49 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 1x0r n PRO 98 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1x0r s PHE 99 N -1.80 2.69 0.47 0.54 -0.12 -1.26 -5.10 117.98 113.40 1x0r s PHE 99 Ca 0.33 -0.46 -0.21 0.00 -0.05 0.00 0.00 56.93 56.54 1x0r s PHE 99 Cb 0.21 -1.88 -0.09 0.00 -0.63 0.00 0.00 43.02 40.63 1x0r s PHE 99 CO 0.31 0.17 1.02 -1.25 -0.05 0.00 0.00 175.22 175.42 1x0r s PRO 100 N -3.94 3.92 -0.15 1.99 0.04 -1.26 -4.89 135.00 130.70 1x0r s PRO 100 Ca 0.42 1.33 0.01 0.00 0.04 0.00 0.00 61.00 62.79 1x0r s PRO 100 Cb -0.01 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1x0r s PRO 100 CO 0.24 -0.32 -0.17 0.42 0.04 0.00 0.00 177.00 177.21 1x0r s ILE 101 N -1.98 2.52 0.32 0.56 1.01 -1.26 0.39 121.20 122.75 1x0r s ILE 101 Ca 0.65 -0.82 -0.28 0.00 0.00 0.00 0.00 60.65 60.21 1x0r s ILE 101 Cb -0.16 -2.05 -0.09 0.00 0.01 0.00 0.00 42.46 40.17 1x0r s ILE 101 CO 0.19 0.52 1.05 -0.63 0.00 0.00 0.00 174.94 176.08 1x0r s ILE 102 N 0.82 3.67 -0.24 2.92 1.01 0.18 -1.26 121.20 128.31 1x0r s ILE 102 Ca -0.06 1.53 -0.07 0.00 0.00 0.00 0.00 60.65 62.06 1x0r s ILE 102 Cb -0.15 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 1x0r s ILE 102 CO -0.01 0.25 0.05 0.00 0.00 0.00 0.00 174.94 175.23 1x0r s ALA 103 N -1.35 3.12 -0.42 9.38 0.00 0.56 -2.41 121.76 130.63 1x0r s ALA 103 Ca 0.49 -1.10 0.10 0.00 0.00 0.00 0.00 51.96 51.45 1x0r s ALA 103 Cb -0.27 -1.99 0.41 0.00 0.00 0.00 0.00 23.12 21.27 1x0r s ALA 103 CO 0.34 -0.40 1.00 -3.47 0.00 0.00 0.00 175.76 173.23 1x0r n ASP 104 N 4.75 3.29 -4.74 0.00 2.03 0.04 -4.55 116.55 117.38 1x0r n ASP 104 Ca -0.17 -3.34 -0.37 0.00 0.52 0.00 0.00 54.79 51.44 1x0r n ASP 104 Cb 0.51 -0.51 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 1x0r n ASP 104 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1x0r s PRO 105 N -3.29 2.75 0.00 -0.67 0.04 -1.03 -0.18 135.00 132.63 1x0r s PRO 105 Ca 0.41 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.49 1x0r s PRO 105 Cb 0.39 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 33.00 1x0r s PRO 105 CO -0.10 -1.43 0.00 1.04 0.04 0.00 0.00 177.00 176.54 1x0r n GLN 106 N -1.67 0.00 -1.49 4.56 1.13 -1.26 -4.46 117.38 114.18 1x0r n GLN 106 Ca 0.14 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 55.12 1x0r n GLN 106 Cb 0.48 -0.14 -0.03 0.00 0.11 0.00 0.00 30.24 30.66 1x0r n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x0r n GLY 107 N -0.43 0.76 0.14 1.08 0.00 0.75 -4.92 105.19 102.56 1x0r n GLY 107 Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 1x0r n GLY 107 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1x0r h THR 108 N 0.00 1.18 -0.29 2.61 2.02 -1.78 -0.41 112.91 116.24 1x0r h THR 108 Ca -0.18 -0.54 -0.12 0.00 0.77 0.00 0.00 66.41 66.34 1x0r h THR 108 Cb 0.71 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1x0r h THR 108 CO 0.25 0.18 -0.27 0.58 0.37 0.00 0.00 175.52 176.63 1x0r h VAL 109 N 0.25 1.30 -0.99 3.16 2.07 -1.91 -2.98 116.25 117.14 1x0r h VAL 109 Ca 0.08 -1.44 0.04 0.00 0.82 0.00 0.00 66.70 66.21 1x0r h VAL 109 Cb 0.19 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 1x0r h VAL 109 CO -0.01 0.46 0.64 0.00 0.02 0.00 0.00 177.57 178.69 1x0r h ALA 110 N 0.71 1.33 -0.48 1.67 0.00 -1.87 -1.90 119.26 118.73 1x0r h ALA 110 Ca 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1x0r h ALA 110 Cb 0.84 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1x0r h ALA 110 CO 0.07 0.51 -0.07 0.00 0.00 0.00 0.00 179.25 179.76 1x0r h ARG 111 N 1.23 0.84 0.00 0.00 3.08 -1.09 0.13 114.38 118.56 1x0r h ARG 111 Ca 0.40 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 1x0r h ARG 111 Cb 0.04 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1x0r h ARG 111 CO -0.14 0.88 -0.29 0.00 -1.07 0.00 0.00 179.97 179.35 1x0r h ARG 112 N 0.76 0.00 -0.02 0.04 3.08 -1.23 -2.60 114.38 114.42 1x0r h ARG 112 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1x0r h ARG 112 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1x0r h ARG 112 CO 0.03 0.29 -0.13 1.28 -1.07 0.00 0.00 179.97 180.37 1x0r n LEU 113 N -3.85 2.18 -1.08 3.04 4.77 -0.78 -4.40 117.00 116.87 1x0r n LEU 113 Ca -0.01 -0.73 -0.07 0.00 -0.03 0.00 0.00 56.01 55.16 1x0r n LEU 113 Cb 0.37 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1x0r n LEU 113 CO 0.36 0.37 -0.01 0.61 -1.33 0.00 0.00 177.39 177.40 1x0r n GLY 114 N 1.32 0.29 0.63 -0.72 0.00 0.09 -4.63 105.19 102.18 1x0r n GLY 114 Ca 0.14 -0.51 0.13 0.00 0.00 0.00 0.00 46.02 45.78 1x0r n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x0r n LEU 115 N -1.39 2.07 -4.52 0.99 4.77 0.21 -4.77 117.00 114.36 1x0r n LEU 115 Ca -0.04 -0.69 -0.41 0.00 -0.03 0.00 0.00 56.01 54.84 1x0r n LEU 115 Cb 0.54 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1x0r n LEU 115 CO 0.14 0.35 -0.02 -0.76 -1.33 0.00 0.00 177.39 175.78 1x0r s LEU 116 N -2.14 4.63 0.00 2.23 1.43 -1.26 -0.85 118.68 122.72 1x0r s LEU 116 Ca 0.29 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1x0r s LEU 116 Cb 0.20 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1x0r s LEU 116 CO 0.38 -0.36 0.04 1.41 0.23 0.00 0.00 176.35 178.05 1x0r n HIS 117 N 5.30 -0.90 -0.56 0.29 8.25 -1.26 -4.98 115.22 121.36 1x0r n HIS 117 Ca -0.10 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.05 1x0r n HIS 117 Cb 0.49 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.54 1x0r n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x0r n ALA 118 N -2.83 0.00 0.00 -1.41 0.00 -1.26 -3.38 120.51 111.62 1x0r n ALA 118 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1x0r n ALA 118 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1x0r n ALA 118 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1x0r n GLU 119 N -0.92 0.00 -3.68 0.00 2.13 -1.26 -4.75 120.64 112.16 1x0r n GLU 119 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 1x0r n GLU 119 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 1x0r n GLU 119 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1x0r s SER 120 N 0.00 -0.36 0.26 4.31 0.15 -1.22 -5.00 113.70 111.84 1x0r s SER 120 Ca 0.00 0.88 0.25 0.00 0.70 0.00 0.00 55.95 57.78 1x0r s SER 120 Cb 0.00 0.92 0.58 0.00 -1.71 0.00 0.00 66.02 65.81 1x0r s SER 120 CO 0.00 -0.21 1.64 0.00 1.20 0.00 0.00 173.24 175.87 1x0r h ALA 121 N 7.53 0.92 0.00 5.45 0.00 -1.86 -3.36 119.26 127.95 1x0r h ALA 121 Ca -0.29 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.35 1x0r h ALA 121 Cb 1.15 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1x0r h ALA 121 CO 0.23 0.00 -2.04 -2.37 0.00 0.00 0.00 179.25 175.07 1x0r n THR 122 N -2.50 1.05 -4.20 0.00 5.66 -1.26 -5.03 114.28 107.99 1x0r n THR 122 Ca 0.05 -0.50 -0.29 0.00 -3.05 0.00 0.00 64.05 60.25 1x0r n THR 122 Cb 0.47 -0.92 -0.09 0.00 -1.55 0.00 0.00 70.33 68.23 1x0r n THR 122 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1x0r s HIS 123 N -2.37 2.80 0.81 1.09 4.02 -1.26 -4.89 115.29 115.50 1x0r s HIS 123 Ca -0.17 -0.13 -0.11 0.00 1.02 0.00 0.00 55.06 55.67 1x0r s HIS 123 Cb 0.06 -1.45 0.08 0.00 -1.02 0.00 0.00 32.58 30.25 1x0r s HIS 123 CO 0.51 0.45 1.09 0.95 1.02 0.00 0.00 174.74 178.76 1x0r s THR 124 N -1.31 3.04 0.26 1.30 -4.23 -1.26 -4.65 115.64 108.79 1x0r s THR 124 Ca 0.23 0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 61.04 1x0r s THR 124 Cb -0.11 -3.01 0.06 0.00 1.34 0.00 0.00 72.50 70.78 1x0r s THR 124 CO 0.15 -0.44 0.27 0.55 -0.54 0.00 0.00 174.62 174.61 1x0r n VAL 125 N -3.52 0.00 -3.40 2.29 3.14 -0.03 -3.17 118.33 113.64 1x0r n VAL 125 Ca 0.07 -0.15 -0.43 0.00 -2.96 0.00 0.00 64.34 60.86 1x0r n VAL 125 Cb 0.56 -1.38 -0.01 0.00 -1.06 0.00 0.00 33.84 31.94 1x0r n VAL 125 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1x0r s ARG 126 N -3.60 4.01 0.36 1.45 0.52 -0.09 -3.87 118.95 117.72 1x0r s ARG 126 Ca 0.16 -3.20 0.03 0.00 -0.52 0.00 0.00 55.73 52.20 1x0r s ARG 126 Cb -0.01 -4.44 -0.02 0.00 0.52 0.00 0.00 34.95 31.00 1x0r s ARG 126 CO 0.12 -1.25 0.53 0.20 0.02 0.00 0.00 175.30 174.93 1x0r s GLY 127 N 1.08 1.44 -0.03 -3.53 0.00 -1.25 -1.11 107.32 103.91 1x0r s GLY 127 Ca 0.30 -1.13 -0.01 0.00 0.00 0.00 0.00 44.72 43.88 1x0r s GLY 127 CO -0.09 -1.04 0.03 -1.34 0.00 0.00 0.00 173.10 170.66 1x0r s VAL 128 N -2.30 -0.03 -0.11 1.40 -7.23 -0.29 -0.48 120.40 111.36 1x0r s VAL 128 Ca 0.42 0.26 -0.00 0.00 -1.81 0.00 0.00 61.98 60.85 1x0r s VAL 128 Cb -0.10 -0.14 -0.02 0.00 0.56 0.00 0.00 36.38 36.68 1x0r s VAL 128 CO 0.34 0.13 -0.10 -0.36 -0.31 0.00 0.00 175.10 174.81 1x0r s PHE 129 N 1.42 2.88 -0.19 2.82 0.40 0.13 -1.48 117.98 123.96 1x0r s PHE 129 Ca -0.05 -0.35 -0.06 0.00 -0.60 0.00 0.00 56.93 55.88 1x0r s PHE 129 Cb -0.13 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.56 1x0r s PHE 129 CO -0.03 0.00 0.03 0.42 0.70 0.00 0.00 175.22 176.34 1x0r s ILE 130 N -0.04 4.33 -0.03 0.64 1.01 -0.26 -1.87 121.20 124.97 1x0r s ILE 130 Ca -0.01 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.46 1x0r s ILE 130 Cb -0.14 -2.95 0.01 0.00 0.01 0.00 0.00 42.46 39.39 1x0r s ILE 130 CO 0.03 0.44 -0.07 -0.69 0.00 0.00 0.00 174.94 174.66 1x0r s VAL 131 N 0.69 0.65 0.74 2.92 1.01 -0.25 0.53 120.40 126.69 1x0r s VAL 131 Ca 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1x0r s VAL 131 Cb -0.14 -0.62 0.15 0.00 0.00 0.00 0.00 36.38 35.78 1x0r s VAL 131 CO 0.02 0.23 1.01 -0.90 0.00 0.00 0.00 175.10 175.45 1x0r n ASP 132 N 3.60 1.00 0.00 3.32 5.68 -0.35 -0.98 116.55 128.81 1x0r n ASP 132 Ca -0.21 -1.93 0.10 0.00 -0.50 0.00 0.00 54.79 52.25 1x0r n ASP 132 Cb 0.53 -0.69 0.56 0.00 -1.14 0.00 0.00 41.12 40.39 1x0r n ASP 132 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1x0r n ALA 133 N -3.12 2.19 -0.01 2.12 0.00 -1.26 -0.72 120.51 119.72 1x0r n ALA 133 Ca -0.17 -0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.27 1x0r n ALA 133 Cb 0.55 -1.32 0.24 0.00 0.00 0.00 0.00 19.45 18.93 1x0r n ALA 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x0r n ARG 134 N -1.04 2.56 -1.01 0.00 1.74 -1.26 -4.60 116.66 113.04 1x0r n ARG 134 Ca 0.14 -2.37 -0.00 0.00 -0.77 0.00 0.00 57.85 54.84 1x0r n ARG 134 Cb 0.08 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1x0r n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x0r n GLY 135 N 1.43 0.44 3.78 -0.13 0.00 0.10 -4.95 105.19 105.86 1x0r n GLY 135 Ca 0.20 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 1x0r n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0r s VAL 136 N -2.01 5.39 -0.01 1.61 1.01 -1.25 0.59 120.40 125.73 1x0r s VAL 136 Ca 0.00 0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 1x0r s VAL 136 Cb 0.00 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 1x0r s VAL 136 CO 0.00 0.49 1.45 -0.63 0.00 0.00 0.00 175.10 176.40 1x0r s ILE 137 N -0.07 3.66 -0.11 2.22 1.01 -0.05 -1.21 121.20 126.65 1x0r s ILE 137 Ca 0.12 1.01 0.13 0.00 0.00 0.00 0.00 60.65 61.92 1x0r s ILE 137 Cb -0.12 -3.65 -0.19 0.00 0.01 0.00 0.00 42.46 38.51 1x0r s ILE 137 CO 0.02 -0.02 0.12 0.54 0.00 0.00 0.00 174.94 175.60 1x0r n ARG 138 N 5.68 1.41 -0.96 2.79 5.12 0.19 -0.32 116.66 130.56 1x0r n ARG 138 Ca 0.14 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 1x0r n ARG 138 Cb 0.43 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.37 1x0r n ARG 138 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1x0r n THR 139 N -2.40 0.00 -3.65 0.55 -1.04 -1.19 -4.89 114.28 101.66 1x0r n THR 139 Ca -0.18 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.82 1x0r n THR 139 Cb 0.82 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.26 1x0r n THR 139 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1x0r s LEU 141 N 0.00 -0.16 -0.38 -4.42 1.43 -0.55 -1.10 118.68 113.51 1x0r s LEU 141 Ca 0.00 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1x0r s LEU 141 Cb 0.00 1.26 0.11 0.00 0.03 0.00 0.00 46.19 47.59 1x0r s LEU 141 CO 0.00 -0.04 0.12 -0.31 0.23 0.00 0.00 176.35 176.35 1x0r s TYR 142 N 0.68 3.68 0.51 0.29 1.51 -1.26 -1.14 117.35 121.62 1x0r s TYR 142 Ca -0.02 -2.77 -0.01 0.00 -1.01 0.00 0.00 57.07 53.26 1x0r s TYR 142 Cb -0.04 -3.05 0.01 0.00 -0.11 0.00 0.00 41.96 38.77 1x0r s TYR 142 CO -0.12 -0.95 0.75 0.71 -1.11 0.00 0.00 175.55 174.82 1x0r s TYR 143 N 0.95 3.10 0.00 2.71 1.51 -0.27 -4.94 117.35 120.42 1x0r s TYR 143 Ca 0.10 0.22 0.00 0.00 -1.01 0.00 0.00 57.07 56.38 1x0r s TYR 143 Cb -0.21 -2.54 0.00 0.00 -0.11 0.00 0.00 41.96 39.10 1x0r s TYR 143 CO -0.06 -0.62 0.00 -0.35 -1.11 0.00 0.00 175.55 173.41 1x0r n PRO 144 N -2.26 0.00 0.00 -1.71 -0.04 -1.26 -0.92 135.00 128.81 1x0r n PRO 144 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1x0r n PRO 144 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 1x0r n PRO 144 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x0r n GLU 146 N 0.00 0.00 -3.70 0.54 0.00 -1.26 -4.61 120.64 111.61 1x0r n GLU 146 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.97 1x0r n GLU 146 Cb 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 31.44 31.26 1x0r n GLU 146 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1x0r s LEU 147 N 0.00 0.34 0.53 -1.84 0.20 -1.26 -5.10 118.68 111.55 1x0r s LEU 147 Ca 0.00 0.06 -0.18 0.00 0.69 0.00 0.00 54.13 54.70 1x0r s LEU 147 Cb 0.00 -0.16 -0.06 0.00 -0.43 0.00 0.00 46.19 45.54 1x0r s LEU 147 CO 0.00 -0.22 1.04 -0.83 -0.29 0.00 0.00 176.35 176.05 1x0r s GLY 148 N 1.97 2.31 0.73 7.98 0.00 -1.26 -4.92 107.32 114.13 1x0r s GLY 148 Ca 0.03 0.48 -0.08 0.00 0.00 0.00 0.00 44.72 45.14 1x0r s GLY 148 CO -0.03 0.80 1.06 0.50 0.00 0.00 0.00 173.10 175.43 1x0r s ARG 149 N -3.66 2.17 -0.46 2.90 0.52 -1.26 -5.02 118.95 114.14 1x0r s ARG 149 Ca 0.65 -0.11 -0.11 0.00 -0.52 0.00 0.00 55.73 55.64 1x0r s ARG 149 Cb -0.16 -2.10 0.10 0.00 0.52 0.00 0.00 34.95 33.31 1x0r s ARG 149 CO 0.28 -1.32 0.34 -1.17 0.02 0.00 0.00 175.30 173.45 1x0r s LEU 150 N -5.34 5.54 0.37 2.53 2.96 -1.26 -4.97 118.68 118.51 1x0r s LEU 150 Ca 0.60 -1.67 0.06 0.00 -0.22 0.00 0.00 54.13 52.90 1x0r s LEU 150 Cb -0.11 -2.05 0.71 0.00 0.50 0.00 0.00 46.19 45.24 1x0r s LEU 150 CO 0.46 -0.65 1.93 0.58 -1.32 0.00 0.00 176.35 177.35 1x0r h VAL 151 N 6.04 1.17 0.00 1.68 2.07 -1.95 -1.14 116.25 124.11 1x0r h VAL 151 Ca -0.24 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 1x0r h VAL 151 Cb 1.08 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1x0r h VAL 151 CO 0.85 0.22 -0.01 0.44 0.02 0.00 0.00 177.57 179.09 1x0r h ASP 152 N 0.46 0.00 1.07 0.57 3.32 -1.93 -1.62 116.42 118.28 1x0r h ASP 152 Ca 0.11 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.03 1x0r h ASP 152 Cb 0.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1x0r h ASP 152 CO 0.00 0.01 -0.61 -0.08 -1.72 0.00 0.00 179.24 176.83 1x0r h GLU 153 N 0.00 0.00 -0.37 3.56 4.57 -1.55 -0.32 114.58 120.46 1x0r h GLU 153 Ca -0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 1x0r h GLU 153 Cb 0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1x0r h GLU 153 CO 0.00 0.61 -0.38 0.82 -1.18 0.00 0.00 179.01 178.88 1x0r h ILE 154 N 0.00 1.27 -0.64 2.32 2.04 -1.35 0.50 117.51 121.65 1x0r h ILE 154 Ca -0.01 -1.56 -0.05 0.00 1.00 0.00 0.00 64.86 64.24 1x0r h ILE 154 Cb 1.31 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 1x0r h ILE 154 CO 0.08 0.52 0.19 -0.07 0.00 0.00 0.00 178.15 178.87 1x0r h LEU 155 N 0.74 0.94 -0.80 1.44 3.38 -1.08 -1.21 115.31 118.72 1x0r h LEU 155 Ca 0.06 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1x0r h LEU 155 Cb 0.97 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1x0r h LEU 155 CO 0.09 0.90 0.34 -0.09 0.09 0.00 0.00 178.44 179.78 1x0r h ARG 156 N 0.93 1.18 0.19 1.13 2.43 -0.72 -0.13 114.38 119.39 1x0r h ARG 156 Ca 0.21 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1x0r h ARG 156 Cb 0.31 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1x0r h ARG 156 CO -0.00 0.94 -0.09 0.82 -1.51 0.00 0.00 179.97 180.13 1x0r h ILE 157 N 1.15 0.84 -0.37 1.20 2.04 -0.36 0.25 117.51 122.26 1x0r h ILE 157 Ca 0.27 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 1x0r h ILE 157 Cb 0.19 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1x0r h ILE 157 CO -0.03 0.03 0.19 -0.37 0.00 0.00 0.00 178.15 177.98 1x0r h VAL 158 N -0.33 1.16 -0.66 1.67 -1.51 -1.07 0.28 116.25 115.79 1x0r h VAL 158 Ca -0.03 -0.42 0.11 0.00 -1.23 0.00 0.00 66.70 65.13 1x0r h VAL 158 Cb 0.25 0.75 -0.08 0.00 -2.13 0.00 0.00 31.29 30.08 1x0r h VAL 158 CO 0.04 0.16 0.25 0.50 -1.23 0.00 0.00 177.57 177.29 1x0r h LYS 159 N 0.47 0.41 -0.55 5.19 3.11 -0.93 -0.85 116.57 123.42 1x0r h LYS 159 Ca 0.13 -0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 57.86 1x0r h LYS 159 Cb 0.09 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.20 1x0r h LYS 159 CO -0.02 0.27 -0.00 0.00 -2.81 0.00 0.00 179.45 176.89 1x0r h ALA 160 N 1.46 0.95 -0.43 5.00 0.00 0.02 0.92 119.26 127.19 1x0r h ALA 160 Ca 0.34 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1x0r h ALA 160 Cb 0.46 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1x0r h ALA 160 CO -0.34 0.63 -0.18 -0.07 0.00 0.00 0.00 179.25 179.29 1x0r h LEU 161 N 0.87 0.90 -0.85 0.00 3.38 0.17 0.25 115.31 120.04 1x0r h LEU 161 Ca 0.16 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 1x0r h LEU 161 Cb 0.52 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1x0r h LEU 161 CO 0.03 1.09 0.08 0.11 0.09 0.00 0.00 178.44 179.83 1x0r h LYS 162 N 0.70 0.94 -0.54 1.13 1.57 -0.96 0.57 116.57 119.98 1x0r h LYS 162 Ca 0.10 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.54 1x0r h LYS 162 Cb 0.74 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1x0r h LYS 162 CO 0.06 0.88 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.67 1x0r h LEU 163 N 0.88 1.00 -0.55 2.94 3.38 -0.47 -0.45 115.31 122.05 1x0r h LEU 163 Ca 0.18 -0.34 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 1x0r h LEU 163 Cb 0.41 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1x0r h LEU 163 CO 0.01 1.11 -0.72 1.23 0.09 0.00 0.00 178.44 180.16 1x0r h GLY 164 N 0.88 0.06 0.81 0.83 0.00 -0.01 -0.92 103.07 104.72 1x0r h GLY 164 Ca 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1x0r h GLY 164 CO 0.04 0.08 -0.03 -0.55 0.00 0.00 0.00 176.54 176.08 1x0r h ASP 165 N 0.04 0.38 0.57 0.19 3.32 -0.70 0.32 116.42 120.54 1x0r h ASP 165 Ca -0.01 -0.35 -0.15 0.00 0.02 0.00 0.00 57.03 56.54 1x0r h ASP 165 Cb 1.27 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1x0r h ASP 165 CO 0.10 0.64 -0.68 0.77 -1.72 0.00 0.00 179.24 178.35 1x0r h SER 166 N 0.11 0.11 -0.01 6.45 4.64 -0.95 -3.20 113.55 120.70 1x0r h SER 166 Ca 0.05 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1x0r h SER 166 Cb 0.47 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1x0r h SER 166 CO 0.02 0.75 -0.28 0.18 -0.87 0.00 0.00 176.83 176.63 1x0r n LEU 167 N -3.77 2.33 -3.48 5.97 4.32 -0.36 -4.97 117.00 117.05 1x0r n LEU 167 Ca -0.02 -0.82 -0.19 0.00 -0.02 0.00 0.00 56.01 54.96 1x0r n LEU 167 Cb 0.67 -0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.53 1x0r n LEU 167 CO 0.44 0.41 0.02 0.29 -1.22 0.00 0.00 177.39 177.33 1x0r n LYS 168 N 0.46 -4.38 -4.19 3.23 5.02 -0.01 -5.02 118.16 113.26 1x0r n LYS 168 Ca 0.11 0.75 -0.12 0.00 -2.02 0.00 0.00 58.31 57.04 1x0r n LYS 168 Cb 0.51 -5.50 -0.10 0.00 -0.02 0.00 0.00 35.03 29.92 1x0r n LYS 168 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1x0r s ARG 169 N -5.31 0.91 0.21 1.97 1.81 -0.51 -4.62 118.95 113.40 1x0r s ARG 169 Ca 0.18 -1.38 0.04 0.00 -1.72 0.00 0.00 55.73 52.85 1x0r s ARG 169 Cb -0.03 -0.29 -0.03 0.00 -0.45 0.00 0.00 34.95 34.14 1x0r s ARG 169 CO 0.77 -0.01 0.33 0.00 -0.68 0.00 0.00 175.30 175.70 1x0r s ALA 170 N -3.57 3.94 -0.16 2.13 0.00 0.83 -4.39 121.76 120.54 1x0r s ALA 170 Ca 0.14 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 1x0r s ALA 170 Cb 0.05 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 1x0r s ALA 170 CO -0.03 0.35 -0.03 0.08 0.00 0.00 0.00 175.76 176.14 1x0r s VAL 171 N -1.89 3.93 0.82 0.00 1.01 -1.26 -0.99 120.40 122.02 1x0r s VAL 171 Ca 0.34 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 1x0r s VAL 171 Cb -0.10 -2.73 0.08 0.00 0.00 0.00 0.00 36.38 33.63 1x0r s VAL 171 CO 0.29 0.49 1.10 -2.16 0.00 0.00 0.00 175.10 174.81 1x0r s PRO 172 N 0.43 1.90 0.31 2.72 0.04 -1.26 -4.94 135.00 134.20 1x0r s PRO 172 Ca -0.03 0.61 -0.27 0.00 0.04 0.00 0.00 61.00 61.35 1x0r s PRO 172 Cb -0.14 -1.90 -0.14 0.00 0.04 0.00 0.00 34.50 32.36 1x0r s PRO 172 CO 0.03 -1.74 0.94 0.00 0.04 0.00 0.00 177.00 176.26 1x0r n ALA 173 N -3.51 -0.44 -1.30 8.56 0.00 -1.26 -2.16 120.51 120.41 1x0r n ALA 173 Ca 0.07 0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.76 1x0r n ALA 173 Cb 0.57 -1.98 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 1x0r n ALA 173 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x0r n ASP 174 N 1.17 -5.46 -4.67 0.00 8.00 -1.26 -4.10 116.55 110.23 1x0r n ASP 174 Ca 0.10 0.25 -0.40 0.00 0.71 0.00 0.00 54.79 55.46 1x0r n ASP 174 Cb 0.33 -3.86 0.03 0.00 -0.02 0.00 0.00 41.12 37.60 1x0r n ASP 174 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1x0r n TRP 175 N -2.29 1.67 0.80 1.24 -0.00 -0.92 -0.70 117.44 117.24 1x0r n TRP 175 Ca -0.10 0.49 0.01 0.00 -0.00 0.00 0.00 57.50 57.90 1x0r n TRP 175 Cb 0.54 -2.29 0.07 0.00 -0.00 0.00 0.00 31.31 29.63 1x0r n TRP 175 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 1x0r n PRO 176 N -0.36 1.62 -2.06 5.87 -0.04 -1.26 -4.90 135.00 133.87 1x0r n PRO 176 Ca 0.09 -0.53 -0.25 0.00 -0.04 0.00 0.00 63.50 62.78 1x0r n PRO 176 Cb 0.42 -1.56 0.02 0.00 -0.04 0.00 0.00 33.50 32.34 1x0r n PRO 176 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x0r n ASN 177 N 0.07 4.98 -4.77 3.54 3.02 0.12 -3.12 115.26 119.11 1x0r n ASN 177 Ca 0.05 -3.75 -0.40 0.00 -0.03 0.00 0.00 54.58 50.45 1x0r n ASN 177 Cb 0.37 -0.37 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1x0r n ASN 177 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1x0r s ASN 178 N -3.54 6.49 0.13 6.41 3.84 -0.37 -4.82 114.94 123.08 1x0r s ASN 178 Ca 0.51 2.67 0.27 0.00 0.21 0.00 0.00 52.86 56.52 1x0r s ASN 178 Cb 0.41 -2.64 0.97 0.00 -0.55 0.00 0.00 41.25 39.44 1x0r s ASN 178 CO 0.01 -0.73 1.83 -0.62 -2.79 0.00 0.00 177.10 174.80 1x0r n GLU 179 N 0.39 0.16 -0.12 0.43 1.02 -1.26 -0.06 120.64 121.19 1x0r n GLU 179 Ca 0.02 0.14 -0.25 0.00 -0.02 0.00 0.00 57.16 57.05 1x0r n GLU 179 Cb 0.43 -1.69 -0.11 0.00 -0.02 0.00 0.00 31.44 30.05 1x0r n GLU 179 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1x0r n ILE 180 N -1.96 1.55 -0.95 -3.67 5.41 -1.26 -4.74 119.36 113.73 1x0r n ILE 180 Ca 0.06 -0.40 0.04 0.00 1.00 0.00 0.00 62.75 63.45 1x0r n ILE 180 Cb 0.39 -1.77 0.06 0.00 -0.71 0.00 0.00 39.64 37.60 1x0r n ILE 180 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1x0r n ILE 181 N -3.95 1.04 0.00 1.39 -5.35 -1.23 -5.08 119.36 106.18 1x0r n ILE 181 Ca -0.46 -1.20 0.00 0.00 -0.27 0.00 0.00 62.75 60.82 1x0r n ILE 181 Cb 0.90 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 39.06 1x0r n ILE 181 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x0r n GLY 182 N -0.72 3.44 1.25 3.28 0.00 0.91 -0.36 105.19 112.98 1x0r n GLY 182 Ca 0.07 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1x0r n GLY 182 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x0r n GLU 183 N 11.41 3.55 -1.11 1.61 0.28 -1.18 -1.24 120.64 133.96 1x0r n GLU 183 Ca 0.00 -2.80 -0.32 0.00 -0.16 0.00 0.00 57.16 53.87 1x0r n GLU 183 Cb 0.00 -1.86 0.12 0.00 1.43 0.00 0.00 31.44 31.13 1x0r n GLU 183 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1x0r s GLY 184 N -1.28 1.94 0.08 -1.84 0.00 0.51 -4.83 107.32 101.90 1x0r s GLY 184 Ca 0.44 0.63 0.06 0.00 0.00 0.00 0.00 44.72 45.86 1x0r s GLY 184 CO 0.16 1.03 -0.16 1.08 0.00 0.00 0.00 173.10 175.21 1x0r s LEU 185 N -5.88 2.29 -0.12 0.66 1.43 0.95 -4.55 118.68 113.46 1x0r s LEU 185 Ca 0.68 -0.64 -0.07 0.00 -1.03 0.00 0.00 54.13 53.07 1x0r s LEU 185 Cb -0.24 -0.60 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 1x0r s LEU 185 CO 0.52 -0.05 0.13 -0.63 0.23 0.00 0.00 176.35 176.55 1x0r s ILE 186 N -1.29 5.38 -0.02 -0.59 1.01 -0.16 -1.28 121.20 124.26 1x0r s ILE 186 Ca 0.00 0.16 -0.27 0.00 0.00 0.00 0.00 60.65 60.55 1x0r s ILE 186 Cb -0.10 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1x0r s ILE 186 CO 0.03 0.60 0.84 -0.69 0.00 0.00 0.00 174.94 175.72 1x0r s VAL 187 N -0.90 4.91 0.17 2.92 1.01 0.32 -0.12 120.40 128.71 1x0r s VAL 187 Ca 0.14 1.75 -0.33 0.00 0.00 0.00 0.00 61.98 63.54 1x0r s VAL 187 Cb -0.12 -4.18 -0.15 0.00 0.00 0.00 0.00 36.38 31.93 1x0r s VAL 187 CO 0.03 0.23 1.24 -2.65 0.00 0.00 0.00 175.10 173.95 1x0r n PRO 188 N 3.67 1.33 -1.89 2.72 -0.02 -1.26 -4.60 135.00 134.95 1x0r n PRO 188 Ca 0.02 0.48 -0.36 0.00 -2.02 0.00 0.00 63.50 61.62 1x0r n PRO 188 Cb 0.51 -2.03 0.05 0.00 -0.02 0.00 0.00 33.50 32.01 1x0r n PRO 188 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1x0r s PRO 189 N -0.23 2.80 0.53 0.52 0.04 -1.26 -4.98 135.00 132.43 1x0r s PRO 189 Ca 0.74 1.84 -0.22 0.00 0.04 0.00 0.00 61.00 63.40 1x0r s PRO 189 Cb -0.83 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 31.75 1x0r s PRO 189 CO 0.51 -1.34 1.36 -2.14 0.04 0.00 0.00 177.00 175.42 1x0r s PRO 190 N -3.44 3.21 0.00 0.56 0.02 -1.26 -4.95 135.00 129.14 1x0r s PRO 190 Ca 0.77 2.24 0.06 0.00 0.02 0.00 0.00 61.00 64.09 1x0r s PRO 190 Cb -0.31 -2.30 0.12 0.00 0.02 0.00 0.00 34.50 32.03 1x0r s PRO 190 CO 0.36 -1.14 0.94 0.25 -0.33 0.00 0.00 177.00 177.09 1x0r n THR 191 N -0.93 0.56 -4.19 0.99 -2.24 -1.26 -4.86 114.28 102.34 1x0r n THR 191 Ca 0.10 -0.78 -0.12 0.00 -2.27 0.00 0.00 64.05 60.98 1x0r n THR 191 Cb 0.45 0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 69.35 1x0r n THR 191 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1x0r s THR 192 N -0.79 0.63 0.24 4.28 -4.23 -1.26 -5.03 115.64 109.48 1x0r s THR 192 Ca 0.10 -1.95 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 1x0r s THR 192 Cb 0.06 -1.88 0.01 0.00 1.34 0.00 0.00 72.50 72.04 1x0r s THR 192 CO 0.08 -0.69 1.62 -0.33 -0.54 0.00 0.00 174.62 174.76 1x0r h GLU 193 N 2.86 0.55 -0.27 3.99 5.08 -1.99 0.95 114.58 125.76 1x0r h GLU 193 Ca -0.36 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 57.68 1x0r h GLU 193 Cb 1.18 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1x0r h GLU 193 CO 0.64 0.83 -0.08 -0.44 -1.00 0.00 0.00 179.01 178.95 1x0r h ASP 194 N 0.46 0.53 -0.74 1.42 5.19 -1.99 -0.95 116.42 120.34 1x0r h ASP 194 Ca 0.05 -0.38 -0.02 0.00 -0.62 0.00 0.00 57.03 56.06 1x0r h ASP 194 Cb 0.84 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 40.17 1x0r h ASP 194 CO 0.07 0.79 0.39 -0.61 -3.12 0.00 0.00 179.24 176.76 1x0r h GLN 195 N 0.27 1.04 -0.32 3.56 4.15 -1.90 -0.94 115.11 120.97 1x0r h GLN 195 Ca 0.06 -0.13 0.03 0.00 0.77 0.00 0.00 58.65 59.39 1x0r h GLN 195 Cb 0.57 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1x0r h GLN 195 CO 0.03 0.79 0.12 0.00 -1.93 0.00 0.00 178.83 177.83 1x0r h ALA 196 N 1.20 0.37 -0.44 3.38 0.00 -0.62 0.20 119.26 123.35 1x0r h ALA 196 Ca 0.26 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1x0r h ALA 196 Cb 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1x0r h ALA 196 CO -0.04 -0.28 0.14 -0.09 0.00 0.00 0.00 179.25 178.99 1x0r h ARG 197 N 0.26 0.68 -0.21 0.00 2.43 -0.77 -3.13 114.38 113.64 1x0r h ARG 197 Ca 0.14 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1x0r h ARG 197 Cb 0.11 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1x0r h ARG 197 CO -0.14 0.66 0.01 0.00 -1.51 0.00 0.00 179.97 178.99 1x0r h ALA 198 N 0.99 0.29 0.00 2.80 0.00 -0.88 -0.59 119.26 121.87 1x0r h ALA 198 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1x0r h ALA 198 Cb 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1x0r h ALA 198 CO -0.01 -0.01 0.00 -2.13 0.00 0.00 0.00 179.25 177.11 1x0r n ARG 199 N -4.69 0.00 0.00 0.00 3.00 0.66 -0.48 116.66 115.15 1x0r n ARG 199 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 1x0r n ARG 199 Cb 0.22 -0.94 0.00 0.00 0.00 0.00 0.00 32.46 31.74 1x0r n ARG 199 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1x0r n GLU 201 N 0.51 0.00 0.22 -0.14 0.28 -0.23 -3.78 120.64 117.50 1x0r n GLU 201 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.10 1x0r n GLU 201 Cb 0.00 0.00 0.47 0.00 1.43 0.00 0.00 31.44 33.34 1x0r n GLU 201 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1x0r h SER 202 N 0.00 0.00 -0.51 -1.84 4.64 -1.03 -3.47 113.55 111.34 1x0r h SER 202 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1x0r h SER 202 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 1x0r h SER 202 CO 0.00 0.21 -0.20 0.61 -0.87 0.00 0.00 176.83 176.59 1x0r n GLY 203 N 0.14 1.00 0.01 -0.77 0.00 -1.25 -4.88 105.19 99.44 1x0r n GLY 203 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1x0r n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x0r n GLN 204 N -0.70 0.09 -4.24 1.61 10.64 -1.26 -4.90 117.38 118.61 1x0r n GLN 204 Ca -0.11 -0.02 -0.14 0.00 -1.83 0.00 0.00 57.00 54.91 1x0r n GLN 204 Cb 0.59 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.37 1x0r n GLN 204 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1x0r s TYR 205 N -2.93 1.23 0.72 2.61 1.51 -1.26 -5.02 117.35 114.21 1x0r s TYR 205 Ca 0.15 -0.79 -0.11 0.00 -1.01 0.00 0.00 57.07 55.31 1x0r s TYR 205 Cb 0.19 -0.64 0.02 0.00 -0.11 0.00 0.00 41.96 41.42 1x0r s TYR 205 CO 0.57 0.04 1.07 1.03 -1.11 0.00 0.00 175.55 177.14 1x0r s ARG 206 N -3.77 2.71 -0.08 -0.62 0.52 -0.46 -4.85 118.95 112.41 1x0r s ARG 206 Ca 0.17 0.89 -0.31 0.00 -0.52 0.00 0.00 55.73 55.96 1x0r s ARG 206 Cb 0.03 -1.97 0.09 0.00 0.52 0.00 0.00 34.95 33.62 1x0r s ARG 206 CO 0.00 -1.24 0.76 0.45 0.02 0.00 0.00 175.30 175.29 1x0r s SER 207 N -3.80 -0.58 -0.02 0.23 0.15 -1.26 -2.23 113.70 106.19 1x0r s SER 207 Ca 0.59 0.62 0.05 0.00 0.70 0.00 0.00 55.95 57.91 1x0r s SER 207 Cb -0.14 0.48 -0.07 0.00 -1.71 0.00 0.00 66.02 64.57 1x0r s SER 207 CO 0.55 -0.54 0.07 0.18 1.20 0.00 0.00 173.24 174.70 1x0r n LEU 208 N 0.84 0.00 -3.75 3.45 7.99 0.41 -4.99 117.00 120.94 1x0r n LEU 208 Ca -0.17 0.00 0.01 0.00 -0.01 0.00 0.00 56.01 55.84 1x0r n LEU 208 Cb 0.57 0.05 0.00 0.00 -0.11 0.00 0.00 43.42 43.93 1x0r n LEU 208 CO 0.22 0.05 1.02 -0.62 -1.51 0.00 0.00 177.39 176.55 1x0r s ASP 209 N -3.01 -0.04 0.55 -1.43 -1.08 -1.20 -4.93 116.67 105.53 1x0r s ASP 209 Ca -0.02 -0.22 0.24 0.00 -0.52 0.00 0.00 52.55 52.03 1x0r s ASP 209 Cb 0.03 0.21 1.55 0.00 -1.46 0.00 0.00 42.92 43.25 1x0r s ASP 209 CO 0.21 -0.40 2.18 4.11 0.52 0.00 0.00 175.17 181.79 1x0r h TRP 210 N 2.00 0.00 -0.01 -5.34 5.08 -1.97 0.35 115.95 116.05 1x0r h TRP 210 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.69 1x0r h TRP 210 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 1x0r h TRP 210 CO 0.70 0.03 -0.28 -2.67 -1.28 0.00 0.00 178.44 174.95 1x0r n TRP 211 N -4.07 0.00 -3.78 0.12 4.27 -1.26 -4.47 117.44 108.25 1x0r n TRP 211 Ca -0.03 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.29 1x0r n TRP 211 Cb 0.11 -0.04 -0.13 0.00 -1.36 0.00 0.00 31.31 29.90 1x0r n TRP 211 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1x0r s PHE 212 N -2.36 2.58 0.07 -2.67 5.99 0.12 -4.57 117.98 117.15 1x0r s PHE 212 Ca 0.24 -2.83 0.10 0.00 0.00 0.00 0.00 56.93 54.44 1x0r s PHE 212 Cb 0.19 -2.21 -0.03 0.00 0.00 0.00 0.00 43.02 40.97 1x0r s PHE 212 CO 0.49 -0.71 -0.26 0.00 -0.00 0.00 0.00 175.22 174.73 1x0r s TRP 214 N -0.90 -0.41 0.00 0.00 1.48 -0.95 -0.52 118.94 117.64 1x0r s TRP 214 Ca 0.12 0.16 0.00 0.00 -1.06 0.00 0.00 56.10 55.32 1x0r s TRP 214 Cb -0.10 0.46 0.00 0.00 -1.16 0.00 0.00 33.47 32.67 1x0r s TRP 214 CO 0.03 -0.81 0.00 -0.40 -4.06 0.00 0.00 176.95 171.72 1x0r n ASP 215 N -0.33 0.00 -3.31 -2.66 3.85 -0.40 -1.36 116.55 112.35 1x0r n ASP 215 Ca -0.16 -0.52 -0.25 0.00 -0.71 0.00 0.00 54.79 53.14 1x0r n ASP 215 Cb 0.64 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.33 1x0r n ASP 215 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1x0r n THR 216 N 0.00 -0.24 0.90 2.12 -2.24 -1.26 -0.03 114.28 113.53 1x0r n THR 216 Ca 0.00 -4.10 0.12 0.00 -2.27 0.00 0.00 64.05 57.79 1x0r n THR 216 Cb 0.00 -1.92 0.21 0.00 -2.10 0.00 0.00 70.33 66.51 1x0r n THR 216 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1x0r n PRO 217 N 1.68 0.07 -2.57 -0.78 -0.04 -1.26 -4.86 135.00 127.23 1x0r n PRO 217 Ca 0.24 0.01 -0.38 0.00 -0.04 0.00 0.00 63.50 63.34 1x0r n PRO 217 Cb 0.49 -1.54 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 1x0r n PRO 217 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x0r s ALA 218 N -3.04 3.22 0.76 0.55 0.00 -1.26 -5.02 121.76 116.96 1x0r s ALA 218 Ca 0.10 0.73 -0.13 0.00 0.00 0.00 0.00 51.96 52.66 1x0r s ALA 218 Cb 0.17 -3.27 0.05 0.00 0.00 0.00 0.00 23.12 20.07 1x0r s ALA 218 CO 0.72 -0.11 1.13 -1.54 0.00 0.00 0.00 175.76 175.96 1x0r s SER 219 N -1.33 4.32 0.36 0.00 1.04 -1.26 -4.80 113.70 112.02 1x0r s SER 219 Ca 0.51 2.06 0.08 0.00 0.48 0.00 0.00 55.95 59.08 1x0r s SER 219 Cb -0.25 -2.55 0.68 0.00 0.10 0.00 0.00 66.02 63.99 1x0r s SER 219 CO 0.31 -2.17 1.85 -0.09 0.98 0.00 0.00 173.24 174.13 1x0r h ARG 220 N -0.75 0.26 0.05 4.02 2.43 -1.98 -0.20 114.38 118.21 1x0r h ARG 220 Ca -0.45 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1x0r h ARG 220 Cb 1.26 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1x0r h ARG 220 CO 0.50 0.46 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.95 1x0r h ASP 221 N 0.24 -0.06 -0.36 -3.80 3.32 -1.99 0.42 116.42 114.20 1x0r h ASP 221 Ca 0.04 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 1x0r h ASP 221 Cb 0.49 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1x0r h ASP 221 CO 0.03 0.23 0.11 0.44 -1.72 0.00 0.00 179.24 178.33 1x0r h ASP 222 N -0.34 0.58 -0.37 6.45 3.32 -1.74 -0.95 116.42 123.36 1x0r h ASP 222 Ca -0.01 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.87 1x0r h ASP 222 Cb 0.31 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1x0r h ASP 222 CO 0.01 0.57 -0.14 0.58 -1.72 0.00 0.00 179.24 178.55 1x0r h VAL 223 N 0.62 1.28 -0.25 -1.35 2.07 -0.66 -2.71 116.25 115.24 1x0r h VAL 223 Ca 0.14 -1.24 -0.11 0.00 0.82 0.00 0.00 66.70 66.31 1x0r h VAL 223 Cb 0.22 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1x0r h VAL 223 CO -0.00 0.41 -0.30 -0.33 0.02 0.00 0.00 177.57 177.37 1x0r h GLU 224 N 0.54 0.51 -0.59 1.57 5.08 0.11 -1.19 114.58 120.61 1x0r h GLU 224 Ca 0.09 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 1x0r h GLU 224 Cb 0.67 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1x0r h GLU 224 CO 0.05 0.76 0.05 1.49 -1.00 0.00 0.00 179.01 180.36 1x0r h GLU 225 N 0.45 1.01 -0.35 2.33 4.81 -1.11 0.04 114.58 121.76 1x0r h GLU 225 Ca 0.06 -0.29 -0.16 0.00 -0.13 0.00 0.00 59.36 58.84 1x0r h GLU 225 Cb 0.74 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1x0r h GLU 225 CO 0.06 0.97 -0.39 0.00 -0.73 0.00 0.00 179.01 178.93 1x0r h ALA 226 N 1.00 0.52 -0.03 2.92 0.00 -1.13 -2.76 119.26 119.78 1x0r h ALA 226 Ca 0.17 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1x0r h ALA 226 Cb 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1x0r h ALA 226 CO 0.02 0.63 -0.23 -0.09 0.00 0.00 0.00 179.25 179.57 1x0r h ARG 227 N 0.69 0.05 -0.54 0.00 2.43 -1.07 -2.70 114.38 113.23 1x0r h ARG 227 Ca 0.05 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 1x0r h ARG 227 Cb 0.98 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 1x0r h ARG 227 CO 0.09 0.28 0.03 -0.09 -1.51 0.00 0.00 179.97 178.77 1x0r h ARG 228 N 0.04 0.90 -0.86 0.20 2.43 -0.71 -0.99 114.38 115.39 1x0r h ARG 228 Ca 0.01 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 58.95 1x0r h ARG 228 Cb 0.44 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 1x0r h ARG 228 CO 0.03 0.88 0.57 1.88 -1.51 0.00 0.00 179.97 181.82 1x0r h TYR 229 N 0.84 1.08 -0.18 2.20 0.99 -1.28 -0.46 116.97 120.16 1x0r h TYR 229 Ca 0.16 0.03 -0.16 0.00 2.00 0.00 0.00 58.73 60.75 1x0r h TYR 229 Cb 0.46 -0.36 -0.01 0.00 1.00 0.00 0.00 36.73 37.82 1x0r h TYR 229 CO 0.03 0.67 -0.56 -0.07 -0.00 0.00 0.00 178.16 178.22 1x0r h LEU 230 N 1.15 0.63 -0.77 3.88 3.38 -1.39 -1.47 115.31 120.73 1x0r h LEU 230 Ca 0.32 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1x0r h LEU 230 Cb -0.11 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1x0r h LEU 230 CO -0.07 1.06 0.48 -0.09 0.09 0.00 0.00 178.44 179.90 1x0r h ARG 231 N 0.43 1.03 -0.66 1.13 2.43 -0.95 0.19 114.38 117.97 1x0r h ARG 231 Ca 0.00 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1x0r h ARG 231 Cb 1.11 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 1x0r h ARG 231 CO 0.11 0.71 0.31 -0.09 -1.51 0.00 0.00 179.97 179.50 1x0r h ARG 232 N 1.04 0.96 -0.54 0.20 2.43 -0.93 -1.47 114.38 116.08 1x0r h ARG 232 Ca 0.28 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1x0r h ARG 232 Cb -0.06 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 1x0r h ARG 232 CO -0.05 0.78 0.35 0.00 -1.51 0.00 0.00 179.97 179.53 1x0r h ALA 233 N 1.14 0.69 0.00 2.80 0.00 -0.45 -2.56 119.26 120.88 1x0r h ALA 233 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1x0r h ALA 233 Cb 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1x0r h ALA 233 CO -0.03 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1x0r n ALA 234 N -2.25 1.90 -2.68 0.00 0.00 -0.02 -4.81 120.51 112.63 1x0r n ALA 234 Ca 0.03 0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1x0r n ALA 234 Cb 0.03 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 1x0r n ALA 234 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1x0r s GLU 235 N -3.23 4.40 0.15 0.00 2.02 -0.59 -5.02 118.70 116.42 1x0r s GLU 235 Ca 0.07 1.32 -0.31 0.00 0.02 0.00 0.00 54.97 56.06 1x0r s GLU 235 Cb 0.11 -3.55 -0.11 0.00 0.10 0.00 0.00 34.13 30.68 1x0r s GLU 235 CO 0.47 -0.31 1.80 0.21 0.02 0.00 0.00 175.26 177.44 1x0r s LYS 236 N 2.02 4.13 0.47 1.61 2.20 -1.26 -4.97 119.74 123.95 1x0r s LYS 236 Ca 0.46 2.59 -0.23 0.00 -0.36 0.00 0.00 55.97 58.43 1x0r s LYS 236 Cb -0.18 -3.45 -0.07 0.00 -1.51 0.00 0.00 37.83 32.62 1x0r s LYS 236 CO 0.17 -0.82 1.26 -1.25 -0.36 0.00 0.00 175.35 174.36 1x0r s PRO 237 N 2.30 3.61 0.18 4.03 0.04 -1.26 -4.88 135.00 139.02 1x0r s PRO 237 Ca 0.79 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.91 1x0r s PRO 237 Cb -0.47 -2.45 0.02 0.00 0.04 0.00 0.00 34.50 31.64 1x0r s PRO 237 CO 0.35 -0.75 1.40 0.00 0.04 0.00 0.00 177.00 178.05 1x0r h ALA 238 N 2.02 0.58 -3.83 8.56 0.00 -2.04 -3.44 119.26 121.10 1x0r h ALA 238 Ca -0.50 -0.74 -0.34 0.00 0.00 0.00 0.00 54.91 53.33 1x0r h ALA 238 Cb 1.26 -0.11 -0.27 0.00 0.00 0.00 0.00 17.79 18.67 1x0r h ALA 238 CO 0.60 0.98 -0.76 0.15 0.00 0.00 0.00 179.25 180.22 1x0r s LYS 239 N -3.15 0.55 -0.02 0.00 -0.14 -1.26 -5.15 119.74 110.57 1x0r s LYS 239 Ca -0.01 -0.33 -0.06 0.00 -1.36 0.00 0.00 55.97 54.21 1x0r s LYS 239 Cb 0.11 -0.50 -0.04 0.00 -1.68 0.00 0.00 37.83 35.71 1x0r s LYS 239 CO 0.81 0.13 0.22 -0.51 -0.76 0.00 0.00 175.35 175.24 1x0r s LEU 240 N -0.40 4.38 0.48 3.17 1.43 -1.26 -4.97 118.68 121.50 1x0r s LEU 240 Ca 0.01 0.49 0.21 0.00 -1.03 0.00 0.00 54.13 53.81 1x0r s LEU 240 Cb -0.04 -2.53 1.19 0.00 0.03 0.00 0.00 46.19 44.85 1x0r s LEU 240 CO -0.00 0.29 2.00 -0.07 0.23 0.00 0.00 176.35 178.80 1x0r h LEU 241 N 4.16 0.00 -1.34 1.79 3.38 -2.00 -1.96 115.31 119.35 1x0r h LEU 241 Ca -0.51 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 1x0r h LEU 241 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1x0r h LEU 241 CO 0.65 0.18 -0.22 0.10 0.09 0.00 0.00 178.44 179.24 1x0r h TYR 242 N 0.00 0.00 -0.28 1.13 -0.00 -1.94 0.25 116.97 116.13 1x0r h TYR 242 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.65 1x0r h TYR 242 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.12 1x0r h TYR 242 CO 0.00 0.22 -0.13 0.93 -0.00 0.00 0.00 178.16 179.19 1x0r h GLU 243 N 0.00 0.58 -0.00 0.10 5.08 -1.76 -1.80 114.58 116.77 1x0r h GLU 243 Ca -0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1x0r h GLU 243 Cb 0.64 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1x0r h GLU 243 CO 0.03 0.82 -0.26 0.39 -1.00 0.00 0.00 179.01 178.99 1x0r n GLU 244 N -4.44 0.30 0.00 2.33 1.02 -1.20 -5.12 120.64 113.53 1x0r n GLU 244 Ca -0.04 -0.13 0.14 0.00 -0.02 0.00 0.00 57.16 57.11 1x0r n GLU 244 Cb 0.36 -1.50 0.50 0.00 -0.02 0.00 0.00 31.44 30.78 1x0r n GLU 244 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31