#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 -0.12 -1.23 0.00 -1.26 -5.09 107.32 99.46 1x0r s GLY 3 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 44.72 44.48 1x0r s GLY 3 CO 0.00 -0.26 0.20 -0.45 0.00 0.00 0.00 173.10 172.59 1x0r s SER 4 N -2.85 6.43 0.08 1.64 0.15 -1.26 -5.08 113.70 112.82 1x0r s SER 4 Ca 0.07 0.52 0.03 0.00 0.70 0.00 0.00 55.95 57.26 1x0r s SER 4 Cb 0.00 -2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 62.16 1x0r s SER 4 CO -0.06 0.32 -0.09 0.27 1.20 0.00 0.00 173.24 174.88 1x0r s ILE 5 N -0.61 0.77 1.19 6.45 -4.36 -1.26 -3.25 121.20 120.13 1x0r s ILE 5 Ca 0.15 -1.55 -0.20 0.00 -0.26 0.00 0.00 60.65 58.79 1x0r s ILE 5 Cb -0.13 -1.23 0.30 0.00 1.25 0.00 0.00 42.46 42.65 1x0r s ILE 5 CO 0.04 -0.58 1.05 -0.81 0.24 0.00 0.00 174.94 174.88 1x0r n PRO 6 N 0.67 -3.10 -4.19 0.37 -0.04 -1.26 -4.97 135.00 122.48 1x0r n PRO 6 Ca -0.17 -1.68 -0.19 0.00 -0.04 0.00 0.00 63.50 61.42 1x0r n PRO 6 Cb 0.58 -1.58 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 1x0r n PRO 6 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1x0r s LEU 7 N 0.00 2.30 0.29 1.53 1.43 -1.26 -5.07 118.68 117.89 1x0r s LEU 7 Ca 0.68 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.84 1x0r s LEU 7 Cb -0.07 -0.55 -0.12 0.00 0.03 0.00 0.00 46.19 45.48 1x0r s LEU 7 CO 0.52 -0.08 1.45 -0.38 0.23 0.00 0.00 176.35 178.10 1x0r n ILE 8 N 1.16 1.27 0.00 -0.59 5.41 -1.26 -1.05 119.36 124.30 1x0r n ILE 8 Ca -0.20 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.23 1x0r n ILE 8 Cb 0.54 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.78 1x0r n ILE 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x0r n GLY 9 N 1.74 2.89 3.89 7.39 0.00 0.26 -5.01 105.19 116.36 1x0r n GLY 9 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.57 3.59 0.17 1.61 2.02 -0.22 -4.82 118.70 120.48 1x0r s GLU 10 Ca 0.00 0.47 -0.30 0.00 0.02 0.00 0.00 54.97 55.16 1x0r s GLU 10 Cb 0.00 -2.24 -0.08 0.00 0.10 0.00 0.00 34.13 31.90 1x0r s GLU 10 CO 0.00 -0.35 1.34 0.50 0.02 0.00 0.00 175.26 176.77 1x0r s ARG 11 N -4.86 4.36 0.16 1.61 3.52 -1.26 -0.85 118.95 121.63 1x0r s ARG 11 Ca 0.51 2.06 -0.34 0.00 -0.13 0.00 0.00 55.73 57.83 1x0r s ARG 11 Cb -0.11 -3.22 -0.14 0.00 -1.56 0.00 0.00 34.95 29.93 1x0r s ARG 11 CO 0.48 -0.33 1.53 0.34 -0.81 0.00 0.00 175.30 176.51 1x0r n PHE 12 N 3.15 2.16 -1.64 5.12 7.35 0.96 -4.82 117.46 129.74 1x0r n PHE 12 Ca 0.08 0.33 -0.52 0.00 -0.76 0.00 0.00 57.45 56.58 1x0r n PHE 12 Cb 0.43 -2.51 -0.06 0.00 0.35 0.00 0.00 39.48 37.69 1x0r n PHE 12 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1x0r n PRO 13 N 3.15 1.36 -1.72 -7.13 -0.04 -1.26 -4.71 135.00 124.65 1x0r n PRO 13 Ca 0.17 0.49 -0.33 0.00 -0.04 0.00 0.00 63.50 63.79 1x0r n PRO 13 Cb 0.28 -2.18 0.05 0.00 -0.04 0.00 0.00 33.50 31.61 1x0r n PRO 13 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1x0r s GLU 14 N 1.63 2.72 -0.01 0.54 2.12 -1.26 -4.66 118.70 119.78 1x0r s GLU 14 Ca 0.88 1.45 0.07 0.00 0.36 0.00 0.00 54.97 57.73 1x0r s GLU 14 Cb -0.93 -1.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.51 1x0r s GLU 14 CO 0.51 -1.33 -0.22 -2.00 -0.54 0.00 0.00 175.26 171.68 1x0r s GLU 16 N -4.04 1.77 0.00 4.30 2.12 -1.26 -4.97 118.70 116.63 1x0r s GLU 16 Ca 0.68 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 55.19 1x0r s GLU 16 Cb -0.22 -1.75 -0.01 0.00 0.26 0.00 0.00 34.13 32.42 1x0r s GLU 16 CO 0.42 0.47 -0.04 0.54 -0.54 0.00 0.00 175.26 176.11 1x0r s VAL 17 N -0.57 0.27 -0.19 3.70 0.11 0.53 -4.92 120.40 119.32 1x0r s VAL 17 Ca 0.09 -0.31 -0.20 0.00 -2.93 0.00 0.00 61.98 58.63 1x0r s VAL 17 Cb -0.09 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1x0r s VAL 17 CO -0.00 -0.03 0.58 -0.89 -3.33 0.00 0.00 175.10 171.42 1x0r s THR 18 N -0.34 5.06 0.48 5.04 2.01 -1.26 -0.97 115.64 125.66 1x0r s THR 18 Ca -0.01 1.08 0.03 0.00 0.31 0.00 0.00 61.69 63.09 1x0r s THR 18 Cb -0.03 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 1x0r s THR 18 CO -0.00 0.15 0.01 0.42 -0.69 0.00 0.00 174.62 174.51 1x0r s THR 19 N 1.73 1.34 -2.14 -0.82 -4.23 -0.57 -0.29 115.64 110.67 1x0r s THR 19 Ca 0.27 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.08 1x0r s THR 19 Cb -0.16 -2.39 0.79 0.00 1.34 0.00 0.00 72.50 72.09 1x0r s THR 19 CO 0.10 0.00 2.07 -0.90 -0.54 0.00 0.00 174.62 175.36 1x0r n ASP 20 N -1.18 0.43 -0.51 3.99 5.75 -0.66 -1.34 116.55 123.03 1x0r n ASP 20 Ca -0.15 -1.16 0.09 0.00 -0.01 0.00 0.00 54.79 53.56 1x0r n ASP 20 Cb 0.67 -0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.78 1x0r n ASP 20 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1x0r n HIS 21 N -0.66 0.00 0.00 2.11 8.25 -1.26 -4.96 115.22 118.70 1x0r n HIS 21 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1x0r n HIS 21 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 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 1.14 1.89 3.72 -1.41 0.00 -0.45 -5.03 105.19 105.06 1x0r n GLY 22 Ca 0.08 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.55 3.86 0.06 1.61 1.01 -1.26 -1.51 120.40 122.62 1x0r s VAL 23 Ca 0.00 1.42 0.02 0.00 0.00 0.00 0.00 61.98 63.42 1x0r s VAL 23 Cb 0.00 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1x0r s VAL 23 CO 0.00 0.16 -0.07 0.27 0.00 0.00 0.00 175.10 175.46 1x0r s ILE 24 N 0.59 0.60 -0.19 2.22 -4.36 -0.14 -4.94 121.20 114.99 1x0r s ILE 24 Ca 0.56 -1.40 -0.09 0.00 -0.26 0.00 0.00 60.65 59.46 1x0r s ILE 24 Cb -0.31 -1.01 -0.05 0.00 1.25 0.00 0.00 42.46 42.35 1x0r s ILE 24 CO 0.32 -0.56 0.13 -0.75 0.24 0.00 0.00 174.94 174.32 1x0r s LYS 25 N -2.41 4.05 0.30 0.37 2.20 -1.26 -0.35 119.74 122.64 1x0r s LYS 25 Ca -0.02 -0.22 -0.11 0.00 -0.36 0.00 0.00 55.97 55.26 1x0r s LYS 25 Cb -0.04 -3.36 -0.08 0.00 -1.51 0.00 0.00 37.83 32.84 1x0r s LYS 25 CO -0.01 0.37 0.65 -0.51 -0.36 0.00 0.00 175.35 175.49 1x0r s LEU 26 N 0.14 4.07 0.00 5.43 1.43 -1.26 -0.93 118.68 127.55 1x0r s LEU 26 Ca 0.09 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 1x0r s LEU 26 Cb -0.11 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.24 1x0r s LEU 26 CO -0.01 -0.18 0.00 -0.81 0.23 0.00 0.00 176.35 175.58 1x0r n PRO 27 N -0.47 0.00 -0.27 1.29 -0.04 -1.26 -4.25 135.00 130.00 1x0r n PRO 27 Ca 0.02 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.56 1x0r n PRO 27 Cb 0.53 0.00 0.21 0.00 -0.04 0.00 0.00 33.50 34.20 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 0.00 -0.15 -0.99 3.54 5.19 -1.95 0.20 116.42 122.26 1x0r h ASP 28 Ca 0.00 0.19 0.22 0.00 -0.62 0.00 0.00 57.03 56.81 1x0r h ASP 28 Cb 0.00 0.29 -0.09 0.00 0.18 0.00 0.00 39.33 39.70 1x0r h ASP 28 CO 0.00 -0.14 0.63 -0.74 -3.12 0.00 0.00 179.24 175.87 1x0r h HIS 29 N 0.18 0.80 0.06 4.55 2.76 -1.38 0.14 115.15 122.26 1x0r h HIS 29 Ca 0.46 0.03 -0.37 0.00 -2.20 0.00 0.00 60.37 58.29 1x0r h HIS 29 Cb 0.85 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.53 1x0r h HIS 29 CO -0.34 0.15 -2.20 0.66 -1.30 0.00 0.00 177.93 174.91 1x0r n TYR 30 N -4.66 0.66 -0.09 5.26 4.02 0.63 -3.95 117.16 119.03 1x0r n TYR 30 Ca 0.23 0.15 -0.07 0.00 -0.01 0.00 0.00 57.90 58.20 1x0r n TYR 30 Cb 0.71 -1.09 -0.00 0.00 -0.02 0.00 0.00 39.34 38.93 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 0.03 0.40 -0.59 -0.72 2.07 -1.14 -0.25 116.25 116.05 1x0r h VAL 31 Ca -0.48 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.21 1x0r h VAL 31 Cb 1.99 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1x0r h VAL 31 CO 0.01 0.00 0.46 0.28 0.02 0.00 0.00 177.57 178.35 1x0r h SER 32 N -0.18 0.00 -0.67 0.57 0.02 -0.88 1.26 113.55 113.67 1x0r h SER 32 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1x0r h SER 32 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1x0r h SER 32 CO -0.44 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.25 1x0r n GLN 33 N -4.16 2.60 -1.20 3.45 6.02 -0.21 -4.95 117.38 118.94 1x0r n GLN 33 Ca 0.11 -2.49 -0.07 0.00 -0.01 0.00 0.00 57.00 54.55 1x0r n GLN 33 Cb 0.70 -1.54 -0.03 0.00 1.02 0.00 0.00 30.24 30.39 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 1.60 0.85 3.87 1.08 0.00 0.43 -4.99 105.19 108.04 1x0r n GLY 34 Ca 0.23 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.22 3.20 0.60 1.61 1.02 -0.59 -4.83 119.74 118.53 1x0r s LYS 35 Ca 0.00 -0.69 -0.02 0.00 0.02 0.00 0.00 55.97 55.29 1x0r s LYS 35 Cb 0.00 -2.84 0.04 0.00 -0.52 0.00 0.00 37.83 34.51 1x0r s LYS 35 CO 0.00 0.52 0.86 -1.58 -0.92 0.00 0.00 175.35 174.23 1x0r s TRP 36 N -1.69 2.90 -0.01 3.18 0.52 -0.97 -4.05 118.94 118.81 1x0r s TRP 36 Ca 0.33 0.16 -0.13 0.00 0.02 0.00 0.00 56.10 56.48 1x0r s TRP 36 Cb -0.11 -2.89 0.02 0.00 -1.15 0.00 0.00 33.47 29.34 1x0r s TRP 36 CO 0.26 -1.04 0.27 -0.59 0.02 0.00 0.00 176.95 175.86 1x0r s PHE 37 N -2.93 -0.13 -0.22 -1.98 -0.12 -0.36 -0.55 117.98 111.69 1x0r s PHE 37 Ca 0.58 0.17 -0.06 0.00 -0.05 0.00 0.00 56.93 57.57 1x0r s PHE 37 Cb -0.10 0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.32 1x0r s PHE 37 CO 0.41 -0.36 0.02 0.08 -0.05 0.00 0.00 175.22 175.32 1x0r s VAL 38 N -1.32 4.01 -0.21 -2.49 1.01 0.20 -1.37 120.40 120.23 1x0r s VAL 38 Ca -0.14 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 1x0r s VAL 38 Cb -0.06 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1x0r s VAL 38 CO 0.04 0.39 0.05 -0.22 0.00 0.00 0.00 175.10 175.35 1x0r s LEU 39 N 1.34 3.50 0.14 3.92 0.20 -0.50 -1.06 118.68 126.22 1x0r s LEU 39 Ca 0.04 -0.12 0.05 0.00 0.69 0.00 0.00 54.13 54.80 1x0r s LEU 39 Cb -0.15 -1.91 -0.04 0.00 -0.43 0.00 0.00 46.19 43.67 1x0r s LEU 39 CO 0.02 0.06 -0.12 0.72 -0.29 0.00 0.00 176.35 176.73 1x0r s PHE 40 N 1.06 1.34 0.30 5.38 -0.12 -0.29 0.01 117.98 125.66 1x0r s PHE 40 Ca 0.03 -0.64 0.10 0.00 -0.05 0.00 0.00 56.93 56.38 1x0r s PHE 40 Cb -0.14 -0.69 -0.05 0.00 -0.63 0.00 0.00 43.02 41.51 1x0r s PHE 40 CO 0.03 0.13 -0.09 -1.54 -0.05 0.00 0.00 175.22 173.69 1x0r s SER 41 N -2.79 3.97 0.05 1.98 1.04 0.36 -1.33 113.70 116.99 1x0r s SER 41 Ca 0.12 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1x0r s SER 41 Cb -0.02 -0.49 -0.03 0.00 0.10 0.00 0.00 66.02 65.58 1x0r s SER 41 CO 0.02 -0.05 -0.05 -1.38 0.98 0.00 0.00 173.24 172.76 1x0r s HIS 42 N -2.47 0.55 0.20 5.02 -3.43 0.11 -3.75 115.29 111.52 1x0r s HIS 42 Ca 0.32 -0.79 -0.05 0.00 -0.80 0.00 0.00 55.06 53.74 1x0r s HIS 42 Cb -0.04 -0.36 0.13 0.00 -1.43 0.00 0.00 32.58 30.88 1x0r s HIS 42 CO 0.17 -0.23 1.57 -1.00 -2.00 0.00 0.00 174.74 173.25 1x0r h PRO 43 N 3.76 0.73 -2.07 -0.38 0.13 -1.73 -3.39 132.00 129.05 1x0r h PRO 43 Ca -0.34 -0.35 -0.02 0.00 -0.87 0.00 0.00 66.00 64.41 1x0r h PRO 43 Cb 1.18 -0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 1x0r h PRO 43 CO 0.54 0.97 0.05 0.00 -0.23 0.00 0.00 178.00 179.33 1x0r s ALA 44 N -4.38 -1.75 0.84 -0.56 0.00 -1.26 -4.26 121.76 110.40 1x0r s ALA 44 Ca -0.09 2.12 -0.10 0.00 0.00 0.00 0.00 51.96 53.89 1x0r s ALA 44 Cb 0.12 -1.24 0.10 0.00 0.00 0.00 0.00 23.12 22.10 1x0r s ALA 44 CO 0.84 -0.34 1.12 -0.51 0.00 0.00 0.00 175.76 176.87 1x0r s ASP 45 N 0.91 3.71 -1.42 0.00 1.11 -1.26 -3.05 116.67 116.67 1x0r s ASP 45 Ca -0.04 1.98 -0.09 0.00 0.18 0.00 0.00 52.55 54.58 1x0r s ASP 45 Cb -0.05 -2.53 0.02 0.00 1.07 0.00 0.00 42.92 41.43 1x0r s ASP 45 CO -0.08 -2.57 1.04 0.49 1.18 0.00 0.00 175.17 175.23 1x0r n PHE 46 N -3.88 -2.62 -4.33 4.23 3.01 -1.26 -5.01 117.46 107.60 1x0r n PHE 46 Ca 0.10 0.90 -0.19 0.00 1.01 0.00 0.00 57.45 59.27 1x0r n PHE 46 Cb 0.53 -4.76 -0.15 0.00 -0.01 0.00 0.00 39.48 35.08 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 -3.28 0.68 0.18 4.37 -4.23 -1.17 -5.09 115.64 107.10 1x0r s THR 47 Ca 0.54 -0.33 -0.13 0.00 -1.18 0.00 0.00 61.69 60.59 1x0r s THR 47 Cb -0.25 -0.60 0.08 0.00 1.34 0.00 0.00 72.50 73.08 1x0r s THR 47 CO 0.67 0.21 1.83 1.55 -0.54 0.00 0.00 174.62 178.34 1x0r h PRO 48 N 6.20 0.78 -0.61 3.99 0.13 -1.95 -1.81 132.00 138.74 1x0r h PRO 48 Ca -0.32 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 64.68 1x0r h PRO 48 Cb 1.18 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 1x0r h PRO 48 CO 0.49 0.54 0.12 0.28 -0.23 0.00 0.00 178.00 179.20 1x0r h VAL 49 N 0.79 1.26 -0.73 1.56 2.07 -1.99 -1.56 116.25 117.65 1x0r h VAL 49 Ca 0.21 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.79 1x0r h VAL 49 Cb -0.05 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1x0r h VAL 49 CO -0.04 0.36 0.47 0.00 0.02 0.00 0.00 177.57 178.37 1x0r h THR 51 N 0.93 1.23 -0.47 0.00 2.02 -0.72 -0.26 112.91 115.63 1x0r h THR 51 Ca 0.28 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 1x0r h THR 51 Cb -0.03 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1x0r h THR 51 CO -0.09 0.27 0.20 0.71 0.37 0.00 0.00 175.52 176.98 1x0r h THR 52 N 0.91 1.17 -0.41 3.16 1.35 0.08 -0.59 112.91 118.58 1x0r h THR 52 Ca 0.22 -0.53 -0.10 0.00 -0.55 0.00 0.00 66.41 65.45 1x0r h THR 52 Cb 0.15 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 67.16 1x0r h THR 52 CO -0.02 0.21 -0.13 -0.33 -0.25 0.00 0.00 175.52 175.00 1x0r h GLU 53 N 0.67 0.82 -0.48 4.72 5.08 -0.38 -0.10 114.58 124.91 1x0r h GLU 53 Ca 0.16 -0.33 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1x0r h GLU 53 Cb 0.12 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1x0r h GLU 53 CO -0.02 0.95 0.07 0.74 -1.00 0.00 0.00 179.01 179.75 1x0r h PHE 54 N 0.63 0.78 -0.13 4.33 -1.00 -0.35 0.85 116.94 122.05 1x0r h PHE 54 Ca 0.10 -0.08 -0.15 0.00 2.81 0.00 0.00 57.97 60.65 1x0r h PHE 54 Cb 0.67 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 1x0r h PHE 54 CO 0.05 0.69 -0.54 0.28 -1.61 0.00 0.00 178.31 177.18 1x0r h VAL 55 N 0.72 1.34 -0.33 -0.55 2.07 -0.92 -0.81 116.25 117.77 1x0r h VAL 55 Ca 0.15 -1.81 -0.16 0.00 0.82 0.00 0.00 66.70 65.70 1x0r h VAL 55 Cb 0.34 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1x0r h VAL 55 CO 0.01 0.55 -0.43 -1.28 0.02 0.00 0.00 177.57 176.43 1x0r h SER 56 N 0.30 0.92 -0.78 0.57 0.87 0.16 -1.30 113.55 114.29 1x0r h SER 56 Ca 0.01 -0.44 -0.02 0.00 -1.23 0.00 0.00 61.79 60.11 1x0r h SER 56 Cb 1.05 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.71 1x0r h SER 56 CO 0.09 1.21 0.43 -0.26 -0.53 0.00 0.00 176.83 177.77 1x0r h PHE 57 N 0.68 1.07 0.10 2.24 -1.00 -0.78 -2.81 116.94 116.44 1x0r h PHE 57 Ca 0.05 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 1x0r h PHE 57 Cb 1.01 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 40.23 1x0r h PHE 57 CO 0.06 0.75 -0.05 0.00 -1.61 0.00 0.00 178.31 177.45 1x0r h ALA 58 N 1.22 -0.14 -0.00 2.45 0.00 -0.93 -0.97 119.26 120.89 1x0r h ALA 58 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1x0r h ALA 58 Cb 0.03 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1x0r h ALA 58 CO -0.04 -0.58 0.02 0.00 0.00 0.00 0.00 179.25 178.64 1x0r h ARG 59 N -0.14 0.00 -0.30 0.00 3.08 -1.14 -2.31 114.38 113.57 1x0r h ARG 59 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1x0r h ARG 59 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1x0r h ARG 59 CO 0.01 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.45 1x0r n ARG 60 N -3.20 2.87 -0.13 0.04 1.74 -0.48 -4.66 116.66 112.85 1x0r n ARG 60 Ca -0.03 -2.29 -0.08 0.00 -0.77 0.00 0.00 57.85 54.69 1x0r n ARG 60 Cb 0.09 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 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 1.82 0.52 -0.76 -1.55 3.20 -0.67 -0.28 116.97 119.24 1x0r h TYR 61 Ca 0.00 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1x0r h TYR 61 Cb 0.95 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 1x0r h TYR 61 CO 0.30 0.33 0.31 1.49 -1.64 0.00 0.00 178.16 178.95 1x0r h GLU 62 N 0.55 1.14 -0.74 1.82 4.57 -1.83 0.46 114.58 120.55 1x0r h GLU 62 Ca 0.15 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1x0r h GLU 62 Cb -0.05 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.32 1x0r h GLU 62 CO -0.03 0.93 0.46 -0.44 -1.18 0.00 0.00 179.01 178.75 1x0r h ASP 63 N 1.11 0.88 -0.31 1.04 3.32 -1.59 0.23 116.42 121.11 1x0r h ASP 63 Ca 0.25 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 57.07 1x0r h ASP 63 Cb 0.21 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1x0r h ASP 63 CO -0.02 0.67 -0.53 -0.26 -1.72 0.00 0.00 179.24 177.38 1x0r h PHE 64 N 1.01 1.12 -0.28 4.55 -1.00 0.12 -3.04 116.94 119.43 1x0r h PHE 64 Ca 0.27 -0.39 0.04 0.00 2.81 0.00 0.00 57.97 60.69 1x0r h PHE 64 Cb -0.06 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.25 1x0r h PHE 64 CO -0.01 1.23 0.06 1.96 -1.61 0.00 0.00 178.31 179.94 1x0r h GLN 65 N 0.69 0.16 -0.88 1.51 1.08 0.28 0.28 115.11 118.24 1x0r h GLN 65 Ca 0.02 -0.01 0.19 0.00 -1.45 0.00 0.00 58.65 57.40 1x0r h GLN 65 Cb 1.14 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 28.47 1x0r h GLN 65 CO 0.12 0.11 0.58 0.00 -0.95 0.00 0.00 178.83 178.69 1x0r h ARG 66 N 0.17 0.43 -0.01 1.46 3.08 -0.98 0.33 114.38 118.86 1x0r h ARG 66 Ca 0.13 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1x0r h ARG 66 Cb 0.13 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1x0r h ARG 66 CO -0.16 0.28 -0.04 1.28 -1.07 0.00 0.00 179.97 180.26 1x0r n LEU 67 N -4.52 0.66 -0.53 3.04 4.77 -0.72 -4.91 117.00 114.79 1x0r n LEU 67 Ca 0.18 -0.16 -0.01 0.00 -0.03 0.00 0.00 56.01 55.99 1x0r n LEU 67 Cb 0.65 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1x0r n LEU 67 CO 0.31 0.11 0.01 0.61 -1.33 0.00 0.00 177.39 177.10 1x0r n GLY 68 N 1.16 0.69 3.15 -0.72 0.00 0.12 -4.93 105.19 104.65 1x0r n GLY 68 Ca 0.19 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.72 1.66 0.37 1.61 1.01 0.92 -2.30 120.40 120.94 1x0r s VAL 69 Ca 0.03 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1x0r s VAL 69 Cb -0.01 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1x0r s VAL 69 CO 0.03 0.47 0.56 -1.81 0.00 0.00 0.00 175.10 174.35 1x0r s ASP 70 N 0.37 6.13 -0.07 3.32 1.01 0.29 -3.83 116.67 123.90 1x0r s ASP 70 Ca -0.14 0.30 0.05 0.00 0.71 0.00 0.00 52.55 53.46 1x0r s ASP 70 Cb -0.16 -1.78 -0.01 0.00 1.01 0.00 0.00 42.92 41.97 1x0r s ASP 70 CO 0.06 -0.41 -0.21 -0.76 0.21 0.00 0.00 175.17 174.06 1x0r s LEU 71 N -4.34 2.28 -0.07 1.23 1.43 -1.26 -0.62 118.68 117.33 1x0r s LEU 71 Ca 0.42 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 53.06 1x0r s LEU 71 Cb -0.10 -1.44 0.03 0.00 0.03 0.00 0.00 46.19 44.72 1x0r s LEU 71 CO 0.35 0.25 0.17 -0.51 0.23 0.00 0.00 176.35 176.84 1x0r s ILE 72 N -0.21 -0.04 0.63 -0.59 2.07 -0.22 -4.19 121.20 118.65 1x0r s ILE 72 Ca -0.01 0.13 0.01 0.00 -1.41 0.00 0.00 60.65 59.37 1x0r s ILE 72 Cb -0.13 -0.26 0.08 0.00 0.13 0.00 0.00 42.46 42.28 1x0r s ILE 72 CO 0.03 0.05 0.87 -0.83 -1.91 0.00 0.00 174.94 173.16 1x0r s GLY 73 N 0.93 1.79 -0.27 1.50 0.00 0.15 -1.13 107.32 110.29 1x0r s GLY 73 Ca -0.07 -1.61 -0.15 0.00 0.00 0.00 0.00 44.72 42.89 1x0r s GLY 73 CO -0.05 -1.18 0.66 -2.27 0.00 0.00 0.00 173.10 170.26 1x0r s LEU 74 N -4.92 -0.91 0.27 0.66 1.98 -0.44 -0.24 118.68 115.08 1x0r s LEU 74 Ca 0.62 1.48 -0.09 0.00 -2.89 0.00 0.00 54.13 53.25 1x0r s LEU 74 Cb -0.07 2.29 -0.00 0.00 0.66 0.00 0.00 46.19 49.06 1x0r s LEU 74 CO 0.41 -0.23 0.45 -0.94 -1.89 0.00 0.00 176.35 174.14 1x0r s SER 75 N 1.81 0.22 0.00 3.68 1.04 -1.00 0.09 113.70 119.53 1x0r s SER 75 Ca -0.09 -1.15 0.12 0.00 0.48 0.00 0.00 55.95 55.31 1x0r s SER 75 Cb -0.06 0.59 0.51 0.00 0.10 0.00 0.00 66.02 67.16 1x0r s SER 75 CO -0.19 -1.17 1.36 1.33 0.98 0.00 0.00 173.24 175.55 1x0r n VAL 76 N -0.42 0.20 -1.53 5.02 0.24 -1.26 -0.92 118.33 119.66 1x0r n VAL 76 Ca -0.01 -0.24 -0.30 0.00 -2.04 0.00 0.00 64.34 61.76 1x0r n VAL 76 Cb 0.62 0.11 0.09 0.00 -1.47 0.00 0.00 33.84 33.19 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 -1.26 4.47 0.79 -1.34 1.11 -1.26 -2.52 116.67 116.66 1x0r s ASP 77 Ca 0.21 1.34 -0.12 0.00 0.18 0.00 0.00 52.55 54.17 1x0r s ASP 77 Cb 0.11 -2.08 0.07 0.00 1.07 0.00 0.00 42.92 42.09 1x0r s ASP 77 CO 0.16 -1.99 1.16 -0.94 1.18 0.00 0.00 175.17 174.74 1x0r s SER 78 N -3.86 4.60 0.45 0.27 1.04 -1.26 -3.37 113.70 111.58 1x0r s SER 78 Ca 0.61 0.78 0.19 0.00 0.48 0.00 0.00 55.95 58.01 1x0r s SER 78 Cb -0.15 -1.31 1.09 0.00 0.10 0.00 0.00 66.02 65.75 1x0r s SER 78 CO 0.54 -1.84 1.97 -0.37 0.98 0.00 0.00 173.24 174.52 1x0r h VAL 79 N -0.99 0.93 -0.35 5.02 -1.51 -1.93 -1.40 116.25 116.01 1x0r h VAL 79 Ca -0.46 -0.79 -0.04 0.00 -1.23 0.00 0.00 66.70 64.18 1x0r h VAL 79 Cb 1.32 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.92 1x0r h VAL 79 CO 0.65 0.21 0.07 -0.26 -1.23 0.00 0.00 177.57 177.01 1x0r h PHE 80 N 0.00 0.61 -0.94 5.19 -1.00 -1.99 -1.04 116.94 117.76 1x0r h PHE 80 Ca -0.00 -0.08 0.02 0.00 2.81 0.00 0.00 57.97 60.72 1x0r h PHE 80 Cb 0.44 -0.17 -0.05 0.00 3.61 0.00 0.00 35.95 39.78 1x0r h PHE 80 CO 0.00 0.63 0.62 0.77 -1.61 0.00 0.00 178.31 178.72 1x0r h SER 81 N 0.41 1.05 -0.25 2.17 0.02 -1.86 -1.62 113.55 113.48 1x0r h SER 81 Ca 0.11 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1x0r h SER 81 Cb 0.34 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1x0r h SER 81 CO 0.01 0.74 0.16 0.45 -1.14 0.00 0.00 176.83 177.04 1x0r h HIS 82 N 1.23 0.33 -0.37 3.45 3.86 -0.99 0.32 115.15 122.98 1x0r h HIS 82 Ca 0.36 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.44 1x0r h HIS 82 Cb -0.06 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 1x0r h HIS 82 CO -0.00 0.24 -0.31 0.82 0.86 0.00 0.00 177.93 179.53 1x0r h ILE 83 N 0.32 1.28 -0.45 2.45 2.04 -0.95 -1.13 117.51 121.06 1x0r h ILE 83 Ca 0.09 -1.47 -0.07 0.00 1.00 0.00 0.00 64.86 64.41 1x0r h ILE 83 Cb 0.00 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1x0r h ILE 83 CO -0.02 0.49 -0.01 0.11 0.00 0.00 0.00 178.15 178.72 1x0r h LYS 84 N 0.68 0.75 -0.47 2.37 1.79 -0.74 -0.65 116.57 120.31 1x0r h LYS 84 Ca 0.07 -0.20 -0.10 0.00 -2.18 0.00 0.00 60.65 58.24 1x0r h LYS 84 Cb 0.86 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 1x0r h LYS 84 CO 0.08 0.77 -0.11 2.35 -1.08 0.00 0.00 179.45 181.45 1x0r h TRP 85 N 0.70 1.01 -0.96 -1.35 7.01 -0.22 0.90 115.95 123.04 1x0r h TRP 85 Ca 0.14 -0.22 0.08 0.00 2.11 0.00 0.00 58.89 61.00 1x0r h TRP 85 Cb 0.45 -0.25 -0.07 0.00 -2.10 0.00 0.00 29.16 27.20 1x0r h TRP 85 CO 0.02 0.99 0.62 0.87 -2.79 0.00 0.00 178.44 178.15 1x0r h LYS 86 N 0.74 1.04 -0.36 2.65 1.57 -0.91 0.14 116.57 121.44 1x0r h LYS 86 Ca 0.12 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 1x0r h LYS 86 Cb 0.66 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1x0r h LYS 86 CO 0.05 0.69 -0.34 0.93 -0.57 0.00 0.00 179.45 180.21 1x0r h GLU 87 N 1.08 0.82 -0.51 3.15 5.08 -0.71 -1.12 114.58 122.37 1x0r h GLU 87 Ca 0.43 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1x0r h GLU 87 Cb 0.25 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1x0r h GLU 87 CO -0.18 1.03 0.19 2.35 -1.00 0.00 0.00 179.01 181.40 1x0r h TRP 88 N 0.69 0.79 -0.70 4.33 7.01 0.23 0.20 115.95 128.50 1x0r h TRP 88 Ca 0.07 -0.07 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 1x0r h TRP 88 Cb 0.89 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.68 1x0r h TRP 88 CO 0.05 0.67 0.36 0.82 -2.79 0.00 0.00 178.44 177.54 1x0r h ILE 89 N 0.68 1.23 -0.32 2.65 2.04 -0.57 0.28 117.51 123.50 1x0r h ILE 89 Ca 0.17 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 1x0r h ILE 89 Cb 0.23 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1x0r h ILE 89 CO -0.01 0.26 0.01 -0.08 0.00 0.00 0.00 178.15 178.33 1x0r h GLU 90 N 0.97 0.56 -0.19 2.37 4.81 -1.08 0.72 114.58 122.74 1x0r h GLU 90 Ca 0.24 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 1x0r h GLU 90 Cb 0.09 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1x0r h GLU 90 CO -0.03 0.68 -0.27 -0.09 -0.73 0.00 0.00 179.01 178.57 1x0r h ARG 91 N 0.37 0.52 0.00 1.92 2.43 -0.10 -1.40 114.38 118.11 1x0r h ARG 91 Ca 0.09 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1x0r h ARG 91 Cb 0.42 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1x0r h ARG 91 CO 0.01 0.90 -1.42 0.72 -1.51 0.00 0.00 179.97 178.67 1x0r n HIS 92 N -4.38 0.50 -0.04 2.20 8.25 0.94 -4.37 115.22 118.32 1x0r n HIS 92 Ca -0.06 0.14 -0.04 0.00 -0.26 0.00 0.00 57.72 57.51 1x0r n HIS 92 Cb 0.45 -0.72 -0.07 0.00 1.12 0.00 0.00 29.99 30.77 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 -2.43 0.57 -0.47 1.59 2.08 0.22 -4.81 119.36 116.11 1x0r n ILE 93 Ca -0.01 -0.38 0.00 0.00 0.56 0.00 0.00 62.75 62.92 1x0r n ILE 93 Cb 0.55 -0.63 0.00 0.00 -0.75 0.00 0.00 39.64 38.80 1x0r n ILE 93 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x0r n GLY 94 N 2.37 0.71 3.22 7.39 0.00 0.50 -4.83 105.19 114.54 1x0r n GLY 94 Ca -0.14 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 1.91 -0.20 1.61 1.01 -1.22 -4.96 120.40 116.56 1x0r s VAL 95 Ca 0.00 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 1x0r s VAL 95 Cb 0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1x0r s VAL 95 CO 0.00 0.53 0.33 -0.60 0.00 0.00 0.00 175.10 175.36 1x0r s ARG 96 N 0.10 4.18 -0.21 2.72 3.00 -1.26 -2.92 118.95 124.57 1x0r s ARG 96 Ca -0.10 0.10 -0.24 0.00 -1.00 0.00 0.00 55.73 54.49 1x0r s ARG 96 Cb -0.15 -3.51 -0.01 0.00 0.00 0.00 0.00 34.95 31.28 1x0r s ARG 96 CO 0.05 0.05 0.81 0.42 0.00 0.00 0.00 175.30 176.63 1x0r s ILE 97 N 1.04 4.87 -2.31 4.11 -1.09 -1.26 -4.93 121.20 121.63 1x0r s ILE 97 Ca 0.17 1.55 0.22 0.00 -2.23 0.00 0.00 60.65 60.36 1x0r s ILE 97 Cb -0.14 -4.11 0.47 0.00 -1.58 0.00 0.00 42.46 37.11 1x0r s ILE 97 CO 0.06 -0.01 1.45 -0.81 -1.23 0.00 0.00 174.94 174.40 1x0r n PRO 98 N 5.59 2.39 -4.45 2.79 -0.04 -1.26 -4.95 135.00 135.08 1x0r n PRO 98 Ca 0.04 -2.12 -0.26 0.00 -0.04 0.00 0.00 63.50 61.12 1x0r n PRO 98 Cb 0.48 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.43 2.53 0.58 0.54 -0.12 -1.26 -5.11 117.98 113.71 1x0r s PHE 99 Ca 0.39 -0.60 -0.14 0.00 -0.05 0.00 0.00 56.93 56.53 1x0r s PHE 99 Cb 0.22 -1.75 -0.05 0.00 -0.63 0.00 0.00 43.02 40.81 1x0r s PHE 99 CO 0.30 0.40 1.02 -1.25 -0.05 0.00 0.00 175.22 175.64 1x0r s PRO 100 N -3.75 3.59 -0.07 1.99 0.04 -1.26 -4.88 135.00 130.65 1x0r s PRO 100 Ca 0.36 0.96 0.03 0.00 0.04 0.00 0.00 61.00 62.40 1x0r s PRO 100 Cb 0.06 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1x0r s PRO 100 CO 0.19 -0.58 -0.16 0.42 0.04 0.00 0.00 177.00 176.91 1x0r s ILE 101 N -2.78 1.44 0.18 0.56 1.01 -1.26 0.33 121.20 120.69 1x0r s ILE 101 Ca 0.59 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 1x0r s ILE 101 Cb -0.12 -1.27 -0.08 0.00 0.01 0.00 0.00 42.46 41.00 1x0r s ILE 101 CO 0.41 0.42 0.97 -0.63 0.00 0.00 0.00 174.94 176.11 1x0r s ILE 102 N 0.48 4.22 -0.25 2.92 1.01 0.67 -1.66 121.20 128.59 1x0r s ILE 102 Ca -0.14 2.03 -0.09 0.00 0.00 0.00 0.00 60.65 62.45 1x0r s ILE 102 Cb -0.16 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 1x0r s ILE 102 CO 0.05 0.40 0.12 0.00 0.00 0.00 0.00 174.94 175.51 1x0r s ALA 103 N -0.61 3.38 -0.41 9.38 0.00 0.60 -2.38 121.76 131.72 1x0r s ALA 103 Ca 0.44 -1.02 0.10 0.00 0.00 0.00 0.00 51.96 51.48 1x0r s ALA 103 Cb -0.25 -2.21 0.42 0.00 0.00 0.00 0.00 23.12 21.07 1x0r s ALA 103 CO 0.32 -0.36 1.01 -3.47 0.00 0.00 0.00 175.76 173.26 1x0r n ASP 104 N 4.65 3.36 -4.70 0.00 4.64 -0.09 -4.54 116.55 119.87 1x0r n ASP 104 Ca -0.15 -3.35 -0.38 0.00 -1.38 0.00 0.00 54.79 49.53 1x0r n ASP 104 Cb 0.52 -0.51 0.05 0.00 -1.04 0.00 0.00 41.12 40.14 1x0r n ASP 104 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1x0r n PRO 105 N -0.26 1.40 0.00 -0.67 -0.02 -1.05 -0.46 135.00 133.94 1x0r n PRO 105 Ca 0.28 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1x0r n PRO 105 Cb 0.68 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1x0r n PRO 105 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1x0r n GLN 106 N -1.08 0.00 -1.12 -0.52 3.00 -1.26 -4.48 117.38 111.91 1x0r n GLN 106 Ca 0.12 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.07 1x0r n GLN 106 Cb 0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 30.24 30.63 1x0r n GLN 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1x0r n GLY 107 N -0.25 0.71 0.11 1.08 0.00 0.39 -4.92 105.19 102.31 1x0r n GLY 107 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 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 1.23 -0.47 2.61 2.02 -1.79 0.16 112.91 116.68 1x0r h THR 108 Ca -0.09 -0.75 -0.09 0.00 0.77 0.00 0.00 66.41 66.26 1x0r h THR 108 Cb 0.29 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1x0r h THR 108 CO 0.13 0.22 -0.05 0.58 0.37 0.00 0.00 175.52 176.78 1x0r h VAL 109 N 0.04 1.27 -0.61 3.16 2.07 -1.91 -2.10 116.25 118.16 1x0r h VAL 109 Ca 0.05 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1x0r h VAL 109 Cb 0.32 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1x0r h VAL 109 CO 0.00 0.39 0.31 0.00 0.02 0.00 0.00 177.57 178.29 1x0r h ALA 110 N 0.90 0.78 -0.73 1.67 0.00 -1.88 -1.16 119.26 118.84 1x0r h ALA 110 Ca 0.13 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1x0r h ALA 110 Cb 0.57 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1x0r h ALA 110 CO 0.03 0.33 0.47 0.00 0.00 0.00 0.00 179.25 180.08 1x0r h ARG 111 N 0.83 0.91 0.00 0.00 3.08 -0.83 0.25 114.38 118.62 1x0r h ARG 111 Ca 0.21 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1x0r h ARG 111 Cb 0.09 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1x0r h ARG 111 CO -0.03 0.60 0.00 0.00 -1.07 0.00 0.00 179.97 179.47 1x0r h ARG 112 N 0.94 0.00 -0.30 0.04 2.47 -0.54 -1.88 114.38 115.10 1x0r h ARG 112 Ca 0.28 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 1x0r h ARG 112 Cb -0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 1x0r h ARG 112 CO -0.09 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.72 1x0r n LEU 113 N -2.84 2.83 -2.10 3.04 4.77 -0.66 -4.37 117.00 117.66 1x0r n LEU 113 Ca 0.01 -1.73 -0.16 0.00 -0.03 0.00 0.00 56.01 54.10 1x0r n LEU 113 Cb 0.26 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1x0r n LEU 113 CO 0.24 0.67 -0.04 0.61 -1.33 0.00 0.00 177.39 177.54 1x0r n GLY 114 N 0.71 -0.19 0.62 -0.72 0.00 -0.35 -4.55 105.19 100.71 1x0r n GLY 114 Ca 0.12 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.77 1.91 -4.44 0.99 4.77 0.73 -4.70 117.00 113.49 1x0r n LEU 115 Ca -0.10 -0.69 -0.43 0.00 -0.03 0.00 0.00 56.01 54.76 1x0r n LEU 115 Cb 0.60 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.55 1x0r n LEU 115 CO 0.31 0.34 -0.06 -0.76 -1.33 0.00 0.00 177.39 175.90 1x0r s LEU 116 N -1.87 5.19 0.00 2.23 1.43 -1.26 -1.61 118.68 122.79 1x0r s LEU 116 Ca 0.35 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1x0r s LEU 116 Cb 0.20 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1x0r s LEU 116 CO 0.31 -0.48 0.00 1.41 0.23 0.00 0.00 176.35 177.82 1x0r n HIS 117 N 5.16 -0.55 0.89 0.29 8.25 -1.26 -4.99 115.22 123.01 1x0r n HIS 117 Ca -0.11 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.46 1x0r n HIS 117 Cb 0.46 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.76 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 -3.00 3.54 0.38 -1.41 0.00 -1.26 -3.60 120.51 115.16 1x0r n ALA 118 Ca 0.00 -0.36 0.14 0.00 0.00 0.00 0.00 53.44 53.21 1x0r n ALA 118 Cb 0.00 -1.08 0.48 0.00 0.00 0.00 0.00 19.45 18.84 1x0r n ALA 118 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1x0r h GLU 119 N 0.00 0.00 -2.04 0.00 4.81 -1.96 -3.44 114.58 111.96 1x0r h GLU 119 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1x0r h GLU 119 Cb 0.56 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.73 1x0r h GLU 119 CO 0.00 0.00 0.03 0.45 -0.73 0.00 0.00 179.01 178.76 1x0r s SER 120 N -5.05 -0.86 0.07 1.04 0.15 -1.24 -4.99 113.70 102.82 1x0r s SER 120 Ca 0.05 1.46 0.26 0.00 0.70 0.00 0.00 55.95 58.43 1x0r s SER 120 Cb 0.09 1.38 0.75 0.00 -1.71 0.00 0.00 66.02 66.53 1x0r s SER 120 CO 0.53 -0.24 1.62 0.00 1.20 0.00 0.00 173.24 176.35 1x0r n ALA 121 N 3.82 2.79 -0.02 5.45 0.00 -1.26 -4.22 120.51 127.07 1x0r n ALA 121 Ca -0.18 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1x0r n ALA 121 Cb 0.58 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 1x0r n ALA 121 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x0r n THR 122 N -1.79 0.20 -4.41 0.00 -2.24 -1.26 -5.04 114.28 99.73 1x0r n THR 122 Ca 0.05 -0.21 -0.27 0.00 -2.27 0.00 0.00 64.05 61.36 1x0r n THR 122 Cb 0.38 -0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.30 1x0r n THR 122 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1x0r s HIS 123 N -2.32 2.34 0.52 4.78 4.02 -1.26 -4.91 115.29 118.45 1x0r s HIS 123 Ca -0.03 -0.34 -0.18 0.00 1.02 0.00 0.00 55.06 55.52 1x0r s HIS 123 Cb 0.03 -1.17 -0.07 0.00 -1.02 0.00 0.00 32.58 30.35 1x0r s HIS 123 CO 0.27 0.49 1.03 0.99 1.02 0.00 0.00 174.74 178.54 1x0r s THR 124 N -1.62 3.95 0.64 1.30 2.01 -1.26 -4.64 115.64 116.02 1x0r s THR 124 Ca 0.21 1.08 -0.11 0.00 0.31 0.00 0.00 61.69 63.18 1x0r s THR 124 Cb -0.08 -3.48 0.16 0.00 0.01 0.00 0.00 72.50 69.11 1x0r s THR 124 CO 0.10 -0.39 0.62 1.33 -0.69 0.00 0.00 174.62 175.59 1x0r n VAL 125 N -1.35 0.00 -2.82 3.82 0.24 -0.63 -3.16 118.33 114.43 1x0r n VAL 125 Ca 0.09 -0.32 -0.44 0.00 -2.04 0.00 0.00 64.34 61.63 1x0r n VAL 125 Cb 0.53 -1.24 0.00 0.00 -1.47 0.00 0.00 33.84 31.66 1x0r n VAL 125 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1x0r n ARG 126 N -3.17 3.66 -2.07 7.34 1.74 -0.54 -4.02 116.66 119.60 1x0r n ARG 126 Ca 0.08 -3.96 -0.29 0.00 -0.77 0.00 0.00 57.85 52.91 1x0r n ARG 126 Cb 0.32 -2.84 0.04 0.00 -1.02 0.00 0.00 32.46 28.96 1x0r n ARG 126 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1x0r s GLY 127 N 1.18 1.62 -0.12 -0.13 0.00 -1.25 -0.99 107.32 107.63 1x0r s GLY 127 Ca 0.38 -0.46 -0.05 0.00 0.00 0.00 0.00 44.72 44.59 1x0r s GLY 127 CO 0.01 -0.13 0.26 0.14 0.00 0.00 0.00 173.10 173.37 1x0r s VAL 128 N -3.22 -0.28 -0.12 1.40 1.01 0.67 -0.49 120.40 119.38 1x0r s VAL 128 Ca 0.56 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.81 1x0r s VAL 128 Cb -0.11 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 35.86 1x0r s VAL 128 CO 0.49 0.10 -0.21 -0.36 0.00 0.00 0.00 175.10 175.12 1x0r s PHE 129 N 2.00 2.46 -0.18 5.22 0.40 0.10 -0.73 117.98 127.26 1x0r s PHE 129 Ca -0.03 -1.13 -0.07 0.00 -0.60 0.00 0.00 56.93 55.11 1x0r s PHE 129 Cb -0.11 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 1x0r s PHE 129 CO -0.08 -0.50 0.05 0.42 0.70 0.00 0.00 175.22 175.80 1x0r s ILE 130 N 0.65 4.68 -0.06 0.64 1.01 -0.58 -1.41 121.20 126.14 1x0r s ILE 130 Ca -0.12 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.48 1x0r s ILE 130 Cb -0.16 -3.10 0.01 0.00 0.01 0.00 0.00 42.46 39.22 1x0r s ILE 130 CO 0.03 0.47 -0.11 -0.69 0.00 0.00 0.00 174.94 174.64 1x0r s VAL 131 N 0.32 1.01 0.54 2.92 1.01 -0.47 0.78 120.40 126.51 1x0r s VAL 131 Ca 0.02 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 1x0r s VAL 131 Cb -0.13 -0.94 0.12 0.00 0.00 0.00 0.00 36.38 35.44 1x0r s VAL 131 CO 0.00 0.33 0.73 -0.90 0.00 0.00 0.00 175.10 175.26 1x0r n ASP 132 N 3.81 0.47 0.00 3.32 5.68 0.50 -1.23 116.55 129.09 1x0r n ASP 132 Ca -0.23 -1.52 0.07 0.00 -0.50 0.00 0.00 54.79 52.62 1x0r n ASP 132 Cb 0.52 -0.52 0.35 0.00 -1.14 0.00 0.00 41.12 40.33 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 -3.23 1.77 1.46 2.12 0.00 -1.26 0.22 120.51 121.59 1x0r n ALA 133 Ca -0.12 -0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.40 1x0r n ALA 133 Cb 0.37 -1.25 0.50 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.41 1.67 -0.90 0.00 1.74 -1.26 -4.51 116.66 111.99 1x0r n ARG 134 Ca 0.05 -1.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.13 1x0r n ARG 134 Cb 0.15 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 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 1.19 0.46 3.76 -0.13 0.00 0.13 -4.95 105.19 105.65 1x0r n GLY 135 Ca 0.18 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.00 5.40 0.07 1.61 1.01 -1.24 -0.03 120.40 125.21 1x0r s VAL 136 Ca 0.00 0.28 -0.31 0.00 0.00 0.00 0.00 61.98 61.96 1x0r s VAL 136 Cb 0.00 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 1x0r s VAL 136 CO 0.00 0.47 1.69 -0.63 0.00 0.00 0.00 175.10 176.63 1x0r s ILE 137 N 0.08 3.00 -0.03 2.22 1.01 -0.03 -0.37 121.20 127.07 1x0r s ILE 137 Ca 0.11 0.42 0.09 0.00 0.00 0.00 0.00 60.65 61.27 1x0r s ILE 137 Cb -0.12 -3.27 -0.14 0.00 0.01 0.00 0.00 42.46 38.95 1x0r s ILE 137 CO 0.01 -0.01 0.16 0.54 0.00 0.00 0.00 174.94 175.64 1x0r n ARG 138 N 5.81 0.92 -1.02 2.79 5.12 0.23 -0.57 116.66 129.95 1x0r n ARG 138 Ca 0.16 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 1x0r n ARG 138 Cb 0.40 -1.23 0.00 0.00 -1.16 0.00 0.00 32.46 30.48 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 -1.97 0.00 -3.65 0.55 -1.04 -1.20 -4.90 114.28 102.08 1x0r n THR 139 Ca -0.05 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.91 1x0r n THR 139 Cb 0.40 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.84 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 -0.15 -0.37 -4.42 1.43 0.09 -1.52 118.68 113.75 1x0r s LEU 141 Ca 0.00 0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1x0r s LEU 141 Cb 0.00 1.29 0.11 0.00 0.03 0.00 0.00 46.19 47.62 1x0r s LEU 141 CO 0.00 -0.05 0.13 -0.31 0.23 0.00 0.00 176.35 176.35 1x0r s TYR 142 N 0.07 2.59 0.41 0.29 1.51 -1.26 -0.24 117.35 120.73 1x0r s TYR 142 Ca 0.06 -2.45 -0.03 0.00 -1.01 0.00 0.00 57.07 53.64 1x0r s TYR 142 Cb -0.05 -2.27 -0.04 0.00 -0.11 0.00 0.00 41.96 39.50 1x0r s TYR 142 CO -0.13 -0.87 0.68 0.71 -1.11 0.00 0.00 175.55 174.83 1x0r s TYR 143 N 0.91 3.53 0.00 2.71 1.51 -0.16 -4.95 117.35 120.90 1x0r s TYR 143 Ca 0.13 0.63 0.00 0.00 -1.01 0.00 0.00 57.07 56.82 1x0r s TYR 143 Cb -0.20 -2.14 0.00 0.00 -0.11 0.00 0.00 41.96 39.51 1x0r s TYR 143 CO -0.11 -0.09 0.00 -0.35 -1.11 0.00 0.00 175.55 173.89 1x0r n PRO 144 N -1.94 0.00 0.00 -1.71 -0.04 -1.26 -1.47 135.00 128.58 1x0r n PRO 144 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1x0r n PRO 144 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 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 -3.79 0.54 0.00 -1.26 -4.55 120.64 111.58 1x0r n GLU 146 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.91 1x0r n GLU 146 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 31.44 31.27 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 0.97 0.53 -1.84 0.20 -1.26 -5.10 118.68 112.18 1x0r s LEU 147 Ca 0.00 -0.41 -0.19 0.00 0.69 0.00 0.00 54.13 54.22 1x0r s LEU 147 Cb 0.00 -0.59 -0.06 0.00 -0.43 0.00 0.00 46.19 45.10 1x0r s LEU 147 CO 0.00 -0.22 1.07 -0.83 -0.29 0.00 0.00 176.35 176.08 1x0r s GLY 148 N 1.86 2.46 0.77 7.98 0.00 -1.26 -4.94 107.32 114.18 1x0r s GLY 148 Ca 0.03 0.63 -0.12 0.00 0.00 0.00 0.00 44.72 45.26 1x0r s GLY 148 CO -0.07 0.96 1.11 0.50 0.00 0.00 0.00 173.10 175.60 1x0r s ARG 149 N -3.44 2.35 -0.40 2.90 0.52 -1.26 -5.03 118.95 114.58 1x0r s ARG 149 Ca 0.68 0.46 -0.10 0.00 -0.52 0.00 0.00 55.73 56.26 1x0r s ARG 149 Cb -0.19 -1.96 0.06 0.00 0.52 0.00 0.00 34.95 33.38 1x0r s ARG 149 CO 0.26 -1.40 0.24 -1.17 0.02 0.00 0.00 175.30 173.25 1x0r s LEU 150 N -5.58 4.98 0.24 2.53 0.20 -1.26 -4.95 118.68 114.85 1x0r s LEU 150 Ca 0.60 -1.34 0.07 0.00 0.69 0.00 0.00 54.13 54.15 1x0r s LEU 150 Cb -0.12 -1.99 0.27 0.00 -0.43 0.00 0.00 46.19 43.91 1x0r s LEU 150 CO 0.52 -0.48 1.57 0.58 -0.29 0.00 0.00 176.35 178.25 1x0r h VAL 151 N 6.03 1.42 -0.26 1.68 2.07 -1.95 -2.48 116.25 122.76 1x0r h VAL 151 Ca -0.24 -2.09 0.07 0.00 0.82 0.00 0.00 66.70 65.27 1x0r h VAL 151 Cb 1.09 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1x0r h VAL 151 CO 0.72 0.61 0.21 0.44 0.02 0.00 0.00 177.57 179.58 1x0r h ASP 152 N 0.10 0.00 0.90 0.57 3.32 -1.92 -0.23 116.42 119.15 1x0r h ASP 152 Ca -0.01 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1x0r h ASP 152 Cb 1.13 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1x0r h ASP 152 CO 0.09 0.00 -0.41 -0.08 -1.72 0.00 0.00 179.24 177.12 1x0r h GLU 153 N 0.00 0.00 -0.13 3.56 4.57 -1.79 -0.17 114.58 120.61 1x0r h GLU 153 Ca 0.12 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.12 1x0r h GLU 153 Cb 0.55 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1x0r h GLU 153 CO -0.00 0.41 -0.66 0.82 -1.18 0.00 0.00 179.01 178.40 1x0r h ILE 154 N 0.00 1.34 -0.25 2.32 2.04 -1.09 -0.13 117.51 121.74 1x0r h ILE 154 Ca -0.00 -1.97 -0.14 0.00 1.00 0.00 0.00 64.86 63.74 1x0r h ILE 154 Cb 0.97 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 1x0r h ILE 154 CO 0.05 0.61 -0.43 -0.07 0.00 0.00 0.00 178.15 178.31 1x0r h LEU 155 N 0.37 0.67 -0.87 1.44 3.38 -1.01 -0.20 115.31 119.09 1x0r h LEU 155 Ca -0.02 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 1x0r h LEU 155 Cb 1.23 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1x0r h LEU 155 CO 0.12 1.01 0.24 -0.09 0.09 0.00 0.00 178.44 179.81 1x0r h ARG 156 N 0.51 1.07 0.15 1.13 2.43 -0.69 0.94 114.38 119.92 1x0r h ARG 156 Ca 0.04 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 1x0r h ARG 156 Cb 0.96 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1x0r h ARG 156 CO 0.09 0.90 -0.07 0.82 -1.51 0.00 0.00 179.97 180.20 1x0r h ILE 157 N 1.04 0.92 -0.41 1.20 2.04 -0.63 0.10 117.51 121.76 1x0r h ILE 157 Ca 0.23 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1x0r h ILE 157 Cb 0.26 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1x0r h ILE 157 CO -0.01 0.06 0.24 0.58 0.00 0.00 0.00 178.15 179.01 1x0r h VAL 158 N -0.31 1.15 -0.25 1.67 2.07 -0.65 0.40 116.25 120.33 1x0r h VAL 158 Ca -0.02 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1x0r h VAL 158 Cb 0.24 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1x0r h VAL 158 CO 0.03 0.15 0.16 0.50 0.02 0.00 0.00 177.57 178.43 1x0r h LYS 159 N 0.54 0.32 -0.64 1.57 3.11 -0.59 -2.12 116.57 118.76 1x0r h LYS 159 Ca 0.15 -0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.91 1x0r h LYS 159 Cb 0.03 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.17 1x0r h LYS 159 CO -0.03 0.21 0.18 0.00 -2.81 0.00 0.00 179.45 177.00 1x0r h ALA 160 N 1.10 0.84 -0.86 5.00 0.00 -0.38 0.33 119.26 125.29 1x0r h ALA 160 Ca 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1x0r h ALA 160 Cb -0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1x0r h ALA 160 CO -0.03 0.53 0.45 -0.07 0.00 0.00 0.00 179.25 180.13 1x0r h LEU 161 N 0.93 1.09 -0.23 0.00 -0.00 -0.80 0.20 115.31 116.50 1x0r h LEU 161 Ca 0.20 -0.11 -0.17 0.00 -0.00 0.00 0.00 57.88 57.80 1x0r h LEU 161 Cb 0.32 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1x0r h LEU 161 CO -0.00 0.89 -0.53 0.11 -0.00 0.00 0.00 178.44 178.90 1x0r h LYS 162 N 1.21 0.76 -0.65 1.13 1.57 -1.02 -0.75 116.57 118.82 1x0r h LYS 162 Ca 0.30 -0.52 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1x0r h LYS 162 Cb 0.06 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1x0r h LYS 162 CO -0.05 1.14 0.28 -0.07 -0.57 0.00 0.00 179.45 180.18 1x0r h LEU 163 N 0.50 0.87 -0.47 2.94 3.38 -0.86 -1.60 115.31 120.07 1x0r h LEU 163 Ca -0.00 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.66 1x0r h LEU 163 Cb 1.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1x0r h LEU 163 CO 0.12 0.79 -0.43 1.23 0.09 0.00 0.00 178.44 180.23 1x0r h GLY 164 N 0.90 0.85 0.92 0.83 0.00 -0.79 0.41 103.07 106.19 1x0r h GLY 164 Ca 0.22 -0.90 0.02 0.00 0.00 0.00 0.00 47.33 46.67 1x0r h GLY 164 CO -0.02 0.81 0.49 -0.55 0.00 0.00 0.00 176.54 177.27 1x0r h ASP 165 N 0.63 0.82 0.87 0.19 3.32 -0.96 0.61 116.42 121.91 1x0r h ASP 165 Ca 0.04 -0.01 -0.23 0.00 0.02 0.00 0.00 57.03 56.85 1x0r h ASP 165 Cb 1.00 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 1x0r h ASP 165 CO 0.10 0.58 -1.14 0.77 -1.72 0.00 0.00 179.24 177.83 1x0r h SER 166 N 0.97 0.06 0.15 6.45 4.64 -1.08 -3.19 113.55 121.56 1x0r h SER 166 Ca 0.30 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1x0r h SER 166 Cb -0.03 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1x0r h SER 166 CO -0.09 1.06 -0.29 0.18 -0.87 0.00 0.00 176.83 176.81 1x0r n LEU 167 N -3.34 1.35 -3.49 5.97 4.32 0.14 -4.95 117.00 117.01 1x0r n LEU 167 Ca -0.04 -0.42 -0.19 0.00 -0.02 0.00 0.00 56.01 55.34 1x0r n LEU 167 Cb 0.97 -0.08 0.06 0.00 -1.62 0.00 0.00 43.42 42.75 1x0r n LEU 167 CO 0.48 0.25 0.02 0.29 -1.22 0.00 0.00 177.39 177.20 1x0r n LYS 168 N -0.40 -4.42 -4.11 3.23 5.02 0.20 -5.01 118.16 112.67 1x0r n LYS 168 Ca 0.12 0.75 -0.11 0.00 -2.02 0.00 0.00 58.31 57.05 1x0r n LYS 168 Cb 0.38 -5.47 -0.11 0.00 -0.02 0.00 0.00 35.03 29.81 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 -5.36 0.67 0.26 1.97 1.81 -0.49 -4.67 118.95 113.14 1x0r s ARG 169 Ca 0.17 -1.08 0.06 0.00 -1.72 0.00 0.00 55.73 53.17 1x0r s ARG 169 Cb -0.03 -0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.28 1x0r s ARG 169 CO 0.77 -0.01 0.27 0.00 -0.68 0.00 0.00 175.30 175.65 1x0r s ALA 170 N -2.76 3.76 -0.15 2.13 0.00 0.46 -4.38 121.76 120.82 1x0r s ALA 170 Ca 0.02 -1.39 -0.01 0.00 0.00 0.00 0.00 51.96 50.57 1x0r s ALA 170 Cb -0.01 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 1x0r s ALA 170 CO -0.03 0.20 -0.10 0.08 0.00 0.00 0.00 175.76 175.91 1x0r s VAL 171 N -2.11 3.28 0.69 0.00 1.01 -1.26 -0.69 120.40 121.32 1x0r s VAL 171 Ca 0.35 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 1x0r s VAL 171 Cb -0.08 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.91 1x0r s VAL 171 CO 0.27 0.51 1.08 -2.16 0.00 0.00 0.00 175.10 174.79 1x0r s PRO 172 N 0.48 2.76 0.22 2.72 0.04 -1.26 -4.94 135.00 135.03 1x0r s PRO 172 Ca -0.07 1.16 -0.28 0.00 0.04 0.00 0.00 61.00 61.84 1x0r s PRO 172 Cb -0.15 -1.96 -0.16 0.00 0.04 0.00 0.00 34.50 32.26 1x0r s PRO 172 CO 0.04 -1.25 0.68 0.00 0.04 0.00 0.00 177.00 176.51 1x0r n ALA 173 N -2.91 -2.15 -1.34 8.56 0.00 -1.26 -1.84 120.51 119.56 1x0r n ALA 173 Ca 0.09 0.43 -0.12 0.00 0.00 0.00 0.00 53.44 53.84 1x0r n ALA 173 Cb 0.53 -1.73 -0.05 0.00 0.00 0.00 0.00 19.45 18.20 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 1.78 -5.54 -4.68 0.00 8.00 -1.26 -4.03 116.55 110.82 1x0r n ASP 174 Ca 0.16 0.29 -0.38 0.00 0.71 0.00 0.00 54.79 55.57 1x0r n ASP 174 Cb 0.26 -4.08 0.06 0.00 -0.02 0.00 0.00 41.12 37.34 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 -2.28 1.55 0.71 1.24 -0.00 -0.77 -0.27 117.44 117.62 1x0r n TRP 175 Ca -0.12 0.43 0.02 0.00 -0.00 0.00 0.00 57.50 57.83 1x0r n TRP 175 Cb 0.57 -2.24 0.10 0.00 -0.00 0.00 0.00 31.31 29.74 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 -1.31 1.85 -2.15 5.87 -0.04 -1.26 -4.92 135.00 133.04 1x0r n PRO 176 Ca 0.14 -0.74 -0.27 0.00 -0.04 0.00 0.00 63.50 62.58 1x0r n PRO 176 Cb 0.47 -1.58 0.02 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.13 5.24 -4.75 3.54 3.02 0.63 -2.93 115.26 120.14 1x0r n ASN 177 Ca 0.07 -3.75 -0.41 0.00 -0.03 0.00 0.00 54.58 50.46 1x0r n ASN 177 Cb 0.42 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 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 -3.25 6.95 0.51 6.41 3.84 -0.42 -4.82 114.94 124.15 1x0r s ASN 178 Ca 0.51 2.47 0.30 0.00 0.21 0.00 0.00 52.86 56.34 1x0r s ASN 178 Cb 0.42 -2.63 1.16 0.00 -0.55 0.00 0.00 41.25 39.64 1x0r s ASN 178 CO -0.09 -0.43 1.91 -0.33 -2.79 0.00 0.00 177.10 175.37 1x0r h GLU 179 N 4.26 0.00 0.02 0.43 3.07 -1.87 0.64 114.58 121.13 1x0r h GLU 179 Ca -0.47 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.10 1x0r h GLU 179 Cb 1.22 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.09 1x0r h GLU 179 CO 0.70 0.08 -1.62 -0.89 -1.40 0.00 0.00 179.01 175.89 1x0r n ILE 180 N -3.21 1.58 -0.10 3.13 5.41 -1.26 -4.73 119.36 120.18 1x0r n ILE 180 Ca 0.01 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.55 1x0r n ILE 180 Cb 0.36 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 37.34 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 -4.20 0.12 0.00 1.39 -5.35 -1.24 -5.09 119.36 104.99 1x0r n ILE 181 Ca -0.36 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.61 1x0r n ILE 181 Cb 0.79 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.71 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 -0.06 2.76 1.12 3.28 0.00 0.22 -0.84 105.19 111.67 1x0r n GLY 182 Ca 0.00 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 12.27 2.53 -1.36 1.61 0.28 -1.15 -1.30 120.64 133.51 1x0r n GLU 183 Ca 0.00 -2.12 -0.35 0.00 -0.16 0.00 0.00 57.16 54.54 1x0r n GLU 183 Cb 0.00 -1.52 0.10 0.00 1.43 0.00 0.00 31.44 31.45 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 -0.96 2.42 0.10 -1.84 0.00 -0.02 -4.79 107.32 102.24 1x0r s GLY 184 Ca 0.39 0.98 0.09 0.00 0.00 0.00 0.00 44.72 46.18 1x0r s GLY 184 CO 0.25 1.40 -0.23 1.08 0.00 0.00 0.00 173.10 175.60 1x0r s LEU 185 N -5.20 2.28 -0.12 0.66 1.43 -0.65 -4.55 118.68 112.53 1x0r s LEU 185 Ca 0.77 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 53.07 1x0r s LEU 185 Cb -0.32 -1.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.82 1x0r s LEU 185 CO 0.46 0.12 0.22 -0.63 0.23 0.00 0.00 176.35 176.76 1x0r s ILE 186 N -1.07 5.36 -0.17 -0.59 1.01 0.13 -1.57 121.20 124.30 1x0r s ILE 186 Ca 0.09 0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.85 1x0r s ILE 186 Cb -0.10 -3.53 -0.00 0.00 0.01 0.00 0.00 42.46 38.84 1x0r s ILE 186 CO 0.04 0.52 1.03 -0.69 0.00 0.00 0.00 174.94 175.85 1x0r s VAL 187 N -0.40 4.71 0.11 2.92 1.01 -0.22 -0.40 120.40 128.14 1x0r s VAL 187 Ca 0.16 2.02 -0.35 0.00 0.00 0.00 0.00 61.98 63.81 1x0r s VAL 187 Cb -0.13 -4.30 -0.17 0.00 0.00 0.00 0.00 36.38 31.78 1x0r s VAL 187 CO 0.04 -0.09 1.04 -2.65 0.00 0.00 0.00 175.10 173.45 1x0r n PRO 188 N 5.70 0.60 -2.09 2.72 -0.02 -1.26 -4.59 135.00 136.05 1x0r n PRO 188 Ca 0.11 0.21 -0.36 0.00 -2.02 0.00 0.00 63.50 61.44 1x0r n PRO 188 Cb 0.47 -1.64 0.02 0.00 -0.02 0.00 0.00 33.50 32.33 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 -0.27 3.26 0.58 0.52 0.04 -1.26 -4.97 135.00 132.90 1x0r s PRO 189 Ca 0.78 1.83 -0.21 0.00 0.04 0.00 0.00 61.00 63.44 1x0r s PRO 189 Cb -1.01 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 1x0r s PRO 189 CO 0.54 -0.97 1.35 -2.14 0.04 0.00 0.00 177.00 175.82 1x0r s PRO 190 N -3.11 2.95 0.00 0.56 0.02 -1.26 -4.90 135.00 129.25 1x0r s PRO 190 Ca 0.72 2.21 0.01 0.00 0.02 0.00 0.00 61.00 63.97 1x0r s PRO 190 Cb -0.30 -2.14 0.04 0.00 0.02 0.00 0.00 34.50 32.12 1x0r s PRO 190 CO 0.34 -1.34 0.98 0.25 -0.33 0.00 0.00 177.00 176.91 1x0r n THR 191 N -1.29 0.90 -4.20 0.99 -2.24 -1.26 -4.91 114.28 102.26 1x0r n THR 191 Ca 0.12 -0.95 -0.12 0.00 -2.27 0.00 0.00 64.05 60.83 1x0r n THR 191 Cb 0.46 0.55 -0.10 0.00 -2.10 0.00 0.00 70.33 69.14 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 -0.91 0.66 0.15 4.28 -4.23 -1.26 -5.03 115.64 109.30 1x0r s THR 192 Ca 0.03 -1.95 -0.13 0.00 -1.18 0.00 0.00 61.69 58.46 1x0r s THR 192 Cb 0.02 -1.89 0.03 0.00 1.34 0.00 0.00 72.50 72.00 1x0r s THR 192 CO 0.02 -0.68 1.65 -0.33 -0.54 0.00 0.00 174.62 174.73 1x0r h GLU 193 N 2.85 0.84 -0.15 3.99 5.08 -1.99 -0.70 114.58 124.50 1x0r h GLU 193 Ca -0.36 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 57.73 1x0r h GLU 193 Cb 1.18 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1x0r h GLU 193 CO 0.64 0.82 -0.14 -0.44 -1.00 0.00 0.00 179.01 178.89 1x0r h ASP 194 N 0.72 0.22 0.51 1.42 3.32 -1.98 -0.13 116.42 120.50 1x0r h ASP 194 Ca 0.16 -0.05 -0.20 0.00 0.02 0.00 0.00 57.03 56.96 1x0r h ASP 194 Cb 0.38 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1x0r h ASP 194 CO 0.01 0.39 -0.86 1.56 -1.72 0.00 0.00 179.24 178.61 1x0r h GLN 195 N 0.22 0.25 -0.18 3.56 4.20 -1.88 0.25 115.11 121.53 1x0r h GLN 195 Ca 0.04 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 1x0r h GLN 195 Cb 0.39 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1x0r h GLN 195 CO 0.02 0.97 -0.07 0.00 -0.67 0.00 0.00 178.83 179.09 1x0r h ALA 196 N 0.94 0.25 0.04 3.87 0.00 -0.56 -0.14 119.26 123.67 1x0r h ALA 196 Ca -0.05 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1x0r h ALA 196 Cb 1.48 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1x0r h ALA 196 CO 0.14 0.05 -0.06 -0.09 0.00 0.00 0.00 179.25 179.28 1x0r h ARG 197 N 0.06 -0.12 -0.95 0.00 2.43 -0.98 -2.92 114.38 111.89 1x0r h ARG 197 Ca 0.04 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1x0r h ARG 197 Cb 0.53 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.04 1x0r h ARG 197 CO 0.02 -0.08 0.62 0.00 -1.51 0.00 0.00 179.97 179.02 1x0r h ALA 198 N 0.83 1.47 0.00 2.80 0.00 -0.63 -2.53 119.26 121.20 1x0r h ALA 198 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x0r h ALA 198 Cb 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1x0r h ALA 198 CO -0.04 0.39 0.00 -2.13 0.00 0.00 0.00 179.25 177.47 1x0r n ARG 199 N -4.50 0.17 0.00 0.00 0.63 -0.09 -0.37 116.66 112.50 1x0r n ARG 199 Ca 0.15 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 1x0r n ARG 199 Cb 0.20 -1.35 0.00 0.00 0.45 0.00 0.00 32.46 31.76 1x0r n ARG 199 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1x0r n GLU 201 N 0.81 0.00 -0.21 -0.14 1.02 -0.95 -3.64 120.64 117.53 1x0r n GLU 201 Ca 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.33 1x0r n GLU 201 Cb 0.08 0.00 0.53 0.00 -0.02 0.00 0.00 31.44 32.02 1x0r n GLU 201 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1x0r h SER 202 N 0.00 0.37 0.00 1.62 4.64 -0.99 -3.44 113.55 115.74 1x0r h SER 202 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1x0r h SER 202 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1x0r h SER 202 CO 0.00 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1x0r n GLY 203 N -1.53 0.11 0.01 -0.77 0.00 -1.24 -4.84 105.19 96.93 1x0r n GLY 203 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.09 0.04 -4.34 1.61 10.64 -1.26 -4.88 117.38 119.10 1x0r n GLN 204 Ca 0.00 0.03 -0.22 0.00 -1.83 0.00 0.00 57.00 54.98 1x0r n GLN 204 Cb 0.35 -1.54 -0.11 0.00 -0.86 0.00 0.00 30.24 28.07 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 -3.02 1.85 0.71 2.61 1.51 -1.26 -5.06 117.35 114.70 1x0r s TYR 205 Ca 0.13 -0.46 -0.15 0.00 -1.01 0.00 0.00 57.07 55.58 1x0r s TYR 205 Cb 0.18 -0.92 0.03 0.00 -0.11 0.00 0.00 41.96 41.14 1x0r s TYR 205 CO 0.57 0.34 1.17 1.03 -1.11 0.00 0.00 175.55 177.54 1x0r s ARG 206 N -2.79 2.33 -0.05 -0.62 0.52 -0.89 -4.83 118.95 112.62 1x0r s ARG 206 Ca 0.16 1.61 -0.28 0.00 -0.52 0.00 0.00 55.73 56.70 1x0r s ARG 206 Cb -0.06 -1.87 0.06 0.00 0.52 0.00 0.00 34.95 33.60 1x0r s ARG 206 CO 0.07 -1.66 0.61 0.45 0.02 0.00 0.00 175.30 174.79 1x0r s SER 207 N -2.28 -0.57 -0.02 0.23 0.15 -1.26 -1.27 113.70 108.68 1x0r s SER 207 Ca 0.71 0.63 0.06 0.00 0.70 0.00 0.00 55.95 58.06 1x0r s SER 207 Cb -0.25 0.53 -0.10 0.00 -1.71 0.00 0.00 66.02 64.49 1x0r s SER 207 CO 0.45 -0.56 0.11 0.18 1.20 0.00 0.00 173.24 174.62 1x0r n LEU 208 N 1.06 0.00 -3.78 3.45 4.32 0.99 -4.98 117.00 118.06 1x0r n LEU 208 Ca -0.19 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.78 1x0r n LEU 208 Cb 0.57 0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 1x0r n LEU 208 CO 0.23 0.04 0.86 -0.62 -1.22 0.00 0.00 177.39 176.67 1x0r s ASP 209 N -3.05 -0.08 0.50 -1.43 -1.08 -1.23 -4.96 116.67 105.34 1x0r s ASP 209 Ca -0.03 -0.41 0.25 0.00 -0.52 0.00 0.00 52.55 51.84 1x0r s ASP 209 Cb 0.04 0.39 1.30 0.00 -1.46 0.00 0.00 42.92 43.19 1x0r s ASP 209 CO 0.27 -0.75 2.02 4.11 0.52 0.00 0.00 175.17 181.35 1x0r h TRP 210 N 2.00 0.00 -0.16 -5.34 5.08 -1.97 -1.38 115.95 114.18 1x0r h TRP 210 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.71 1x0r h TRP 210 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 1x0r h TRP 210 CO 0.74 0.16 0.00 -2.67 -1.28 0.00 0.00 178.44 175.39 1x0r n TRP 211 N -3.71 0.19 -3.60 0.12 4.27 -1.26 -4.49 117.44 108.96 1x0r n TRP 211 Ca -0.02 -0.09 -0.27 0.00 -3.89 0.00 0.00 57.50 53.23 1x0r n TRP 211 Cb 0.27 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.12 1x0r n TRP 211 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1x0r n PHE 212 N 0.97 1.81 -4.39 -2.67 7.35 -0.52 -4.52 117.46 115.49 1x0r n PHE 212 Ca 0.17 -3.93 -0.28 0.00 -0.76 0.00 0.00 57.45 52.65 1x0r n PHE 212 Cb 0.50 -0.35 -0.12 0.00 0.35 0.00 0.00 39.48 39.87 1x0r n PHE 212 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1x0r s TRP 214 N -1.39 0.36 0.00 0.00 -2.14 -0.39 -1.05 118.94 114.33 1x0r s TRP 214 Ca 0.18 -0.73 0.00 0.00 2.66 0.00 0.00 56.10 58.21 1x0r s TRP 214 Cb -0.09 0.24 0.00 0.00 -3.10 0.00 0.00 33.47 30.52 1x0r s TRP 214 CO 0.09 -1.05 0.00 -0.40 -2.66 0.00 0.00 176.95 172.93 1x0r n ASP 215 N -0.51 0.00 -3.21 -2.66 5.68 -0.61 -2.09 116.55 113.15 1x0r n ASP 215 Ca -0.02 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.03 1x0r n ASP 215 Cb 0.62 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.54 1x0r n ASP 215 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1x0r n THR 216 N 0.00 1.12 0.69 2.12 -2.24 -1.26 -1.63 114.28 113.07 1x0r n THR 216 Ca 0.00 -4.82 0.12 0.00 -2.27 0.00 0.00 64.05 57.08 1x0r n THR 216 Cb 0.00 -1.58 0.47 0.00 -2.10 0.00 0.00 70.33 67.12 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 0.69 0.10 -2.79 -0.78 -0.04 -1.26 -4.83 135.00 126.09 1x0r n PRO 217 Ca 0.27 0.18 -0.40 0.00 -0.04 0.00 0.00 63.50 63.51 1x0r n PRO 217 Cb 0.49 -1.64 -0.06 0.00 -0.04 0.00 0.00 33.50 32.25 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 -3.08 3.35 0.75 0.55 0.00 -1.26 -4.97 121.76 117.10 1x0r s ALA 218 Ca 0.10 0.57 -0.11 0.00 0.00 0.00 0.00 51.96 52.51 1x0r s ALA 218 Cb 0.13 -3.16 0.04 0.00 0.00 0.00 0.00 23.12 20.14 1x0r s ALA 218 CO 0.46 0.22 1.10 -1.54 0.00 0.00 0.00 175.76 176.00 1x0r s SER 219 N -1.21 4.64 0.17 0.00 1.04 -1.26 -4.80 113.70 112.27 1x0r s SER 219 Ca 0.41 1.86 -0.14 0.00 0.48 0.00 0.00 55.95 58.56 1x0r s SER 219 Cb -0.25 -2.53 0.10 0.00 0.10 0.00 0.00 66.02 63.45 1x0r s SER 219 CO 0.30 -1.95 1.80 -0.09 0.98 0.00 0.00 173.24 174.29 1x0r h ARG 220 N -0.87 0.54 -0.72 4.02 2.43 -1.97 -1.16 114.38 116.65 1x0r h ARG 220 Ca -0.44 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 58.73 1x0r h ARG 220 Cb 1.23 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 1x0r h ARG 220 CO 0.52 0.36 0.47 -0.44 -1.51 0.00 0.00 179.97 179.37 1x0r h ASP 221 N 0.56 0.76 -0.41 -3.80 3.32 -1.99 0.37 116.42 115.23 1x0r h ASP 221 Ca 0.21 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.09 1x0r h ASP 221 Cb 0.06 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1x0r h ASP 221 CO -0.11 0.53 -0.34 0.44 -1.72 0.00 0.00 179.24 178.04 1x0r h ASP 222 N 0.88 1.01 -0.08 6.45 3.32 -1.66 -1.82 116.42 124.53 1x0r h ASP 222 Ca 0.28 -0.45 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 1x0r h ASP 222 Cb 0.04 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 1x0r h ASP 222 CO -0.08 1.25 0.04 0.58 -1.72 0.00 0.00 179.24 179.31 1x0r h VAL 223 N 0.79 1.09 -0.26 -1.35 2.07 -0.83 -2.52 116.25 115.25 1x0r h VAL 223 Ca 0.07 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1x0r h VAL 223 Cb 0.93 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1x0r h VAL 223 CO 0.09 0.08 0.00 -0.33 0.02 0.00 0.00 177.57 177.43 1x0r h GLU 224 N 0.03 0.38 -0.56 1.57 5.08 -0.27 0.14 114.58 120.95 1x0r h GLU 224 Ca 0.03 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1x0r h GLU 224 Cb 0.09 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1x0r h GLU 224 CO -0.00 0.41 0.07 1.49 -1.00 0.00 0.00 179.01 179.97 1x0r h GLU 225 N 0.37 0.95 -0.34 2.33 4.81 -1.11 0.19 114.58 121.78 1x0r h GLU 225 Ca 0.09 -0.27 -0.16 0.00 -0.13 0.00 0.00 59.36 58.89 1x0r h GLU 225 Cb 0.24 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 1x0r h GLU 225 CO 0.01 0.92 -0.40 0.00 -0.73 0.00 0.00 179.01 178.81 1x0r h ALA 226 N 0.99 0.51 -0.02 2.92 0.00 -1.01 -2.01 119.26 120.64 1x0r h ALA 226 Ca 0.17 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1x0r h ALA 226 Cb 0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1x0r h ALA 226 CO 0.02 0.62 -0.42 0.00 0.00 0.00 0.00 179.25 179.46 1x0r h ARG 227 N 0.67 0.04 -0.63 0.00 3.08 -0.54 -2.23 114.38 114.77 1x0r h ARG 227 Ca 0.05 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1x0r h ARG 227 Cb 1.00 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.02 1x0r h ARG 227 CO 0.10 0.46 0.24 0.00 -1.07 0.00 0.00 179.97 179.69 1x0r h ARG 228 N 0.03 0.93 -0.71 0.04 3.08 0.05 0.35 114.38 118.15 1x0r h ARG 228 Ca -0.00 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 59.92 1x0r h ARG 228 Cb 0.77 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 1x0r h ARG 228 CO 0.06 0.77 0.45 1.88 -1.07 0.00 0.00 179.97 182.06 1x0r h TYR 229 N 0.91 0.85 -0.37 3.04 0.99 -0.76 0.27 116.97 121.89 1x0r h TYR 229 Ca 0.21 0.02 -0.13 0.00 2.00 0.00 0.00 58.73 60.84 1x0r h TYR 229 Cb 0.20 -0.28 -0.01 0.00 1.00 0.00 0.00 36.73 37.64 1x0r h TYR 229 CO 0.01 0.50 -0.28 -0.07 -0.00 0.00 0.00 178.16 178.32 1x0r h LEU 230 N 0.89 0.82 -0.82 3.88 3.38 -1.23 -1.34 115.31 120.90 1x0r h LEU 230 Ca 0.28 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1x0r h LEU 230 Cb -0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1x0r h LEU 230 CO -0.09 1.05 0.20 0.03 0.09 0.00 0.00 178.44 179.72 1x0r h ARG 231 N 0.68 1.09 -0.60 1.13 3.08 -0.62 -0.31 114.38 118.83 1x0r h ARG 231 Ca 0.08 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 1x0r h ARG 231 Cb 0.82 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1x0r h ARG 231 CO 0.07 0.94 0.22 -0.09 -1.07 0.00 0.00 179.97 180.04 1x0r h ARG 232 N 1.04 0.90 -0.59 0.04 2.43 -0.81 -2.24 114.38 115.15 1x0r h ARG 232 Ca 0.23 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1x0r h ARG 232 Cb 0.31 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1x0r h ARG 232 CO -0.01 0.78 0.33 0.00 -1.51 0.00 0.00 179.97 179.56 1x0r h ALA 233 N 1.08 1.46 0.00 2.80 0.00 -0.42 -2.83 119.26 121.34 1x0r h ALA 233 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1x0r h ALA 233 Cb 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1x0r h ALA 233 CO -0.01 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1x0r h ALA 234 N 1.54 1.00 -2.59 0.00 0.00 -0.89 -3.45 119.26 114.87 1x0r h ALA 234 Ca 0.21 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.55 1x0r h ALA 234 Cb 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1x0r h ALA 234 CO -0.04 0.00 0.18 -1.21 0.00 0.00 0.00 179.25 178.18 1x0r s GLU 235 N -3.22 4.38 -0.05 0.00 2.02 -0.86 -5.01 118.70 115.97 1x0r s GLU 235 Ca 0.07 0.91 -0.30 0.00 0.02 0.00 0.00 54.97 55.68 1x0r s GLU 235 Cb 0.07 -3.49 -0.07 0.00 0.10 0.00 0.00 34.13 30.75 1x0r s GLU 235 CO 0.63 -0.07 1.82 0.21 0.02 0.00 0.00 175.26 177.86 1x0r s LYS 236 N 1.27 4.05 0.29 1.61 2.20 -1.26 -4.95 119.74 122.95 1x0r s LYS 236 Ca 0.37 2.29 -0.30 0.00 -0.36 0.00 0.00 55.97 57.98 1x0r s LYS 236 Cb -0.17 -4.09 -0.11 0.00 -1.51 0.00 0.00 37.83 31.95 1x0r s LYS 236 CO 0.16 -1.03 1.53 -1.25 -0.36 0.00 0.00 175.35 174.40 1x0r s PRO 237 N 4.44 4.17 -0.20 4.03 0.04 -1.26 -4.96 135.00 141.26 1x0r s PRO 237 Ca 0.81 2.49 -0.13 0.00 0.04 0.00 0.00 61.00 64.21 1x0r s PRO 237 Cb -0.36 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 1x0r s PRO 237 CO 0.35 -0.55 0.26 0.00 0.04 0.00 0.00 177.00 177.10 1x0r s ALA 238 N -0.18 3.60 0.00 8.56 0.00 -1.26 -4.70 121.76 127.78 1x0r s ALA 238 Ca 0.60 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1x0r s ALA 238 Cb -0.46 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1x0r s ALA 238 CO 0.49 -0.07 0.00 1.17 0.00 0.00 0.00 175.76 177.35 1x0r n LYS 239 N 3.97 0.00 -3.28 0.00 4.81 -1.26 -5.06 118.16 117.34 1x0r n LYS 239 Ca -0.12 0.38 -0.38 0.00 -0.87 0.00 0.00 58.31 57.31 1x0r n LYS 239 Cb 0.52 -0.76 -0.06 0.00 0.02 0.00 0.00 35.03 34.75 1x0r n LYS 239 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1x0r s LEU 240 N 0.00 4.51 0.31 3.14 1.43 -1.26 -4.97 118.68 121.85 1x0r s LEU 240 Ca 0.00 1.25 0.25 0.00 -1.03 0.00 0.00 54.13 54.60 1x0r s LEU 240 Cb 0.00 -2.92 1.10 0.00 0.03 0.00 0.00 46.19 44.40 1x0r s LEU 240 CO 0.00 0.26 1.75 -0.07 0.23 0.00 0.00 176.35 178.52 1x0r h LEU 241 N 4.46 0.00 -0.60 1.79 3.38 -1.97 -2.65 115.31 119.73 1x0r h LEU 241 Ca -0.50 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.33 1x0r h LEU 241 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1x0r h LEU 241 CO 0.64 0.00 -0.44 0.10 0.09 0.00 0.00 178.44 178.83 1x0r h TYR 242 N 0.00 0.73 0.07 1.13 -0.00 -1.95 -2.37 116.97 114.58 1x0r h TYR 242 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 58.73 58.50 1x0r h TYR 242 Cb 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 36.73 36.88 1x0r h TYR 242 CO 0.00 0.94 -0.03 0.93 -0.00 0.00 0.00 178.16 180.00 1x0r h GLU 243 N 0.49 -0.09 -0.22 0.10 5.08 -1.92 -3.24 114.58 114.78 1x0r h GLU 243 Ca 0.03 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1x0r h GLU 243 Cb 0.96 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 1x0r h GLU 243 CO 0.09 0.32 -0.04 0.93 -1.00 0.00 0.00 179.01 179.31 1x0r h GLU 244 N -0.52 0.02 0.00 2.33 5.08 -1.52 -3.51 114.58 116.47 1x0r h GLU 244 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1x0r h GLU 244 Cb 0.45 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1x0r h GLU 244 CO 0.01 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 178.04