#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 -0.33 -0.22 -1.23 0.00 -1.26 -5.07 107.32 99.20 1x0r s GLY 3 Ca 0.00 0.79 -0.08 0.00 0.00 0.00 0.00 44.72 45.43 1x0r s GLY 3 CO 0.00 0.52 0.09 -0.45 0.00 0.00 0.00 173.10 173.26 1x0r s SER 4 N -1.16 5.51 0.19 1.64 0.15 -1.26 -5.08 113.70 113.70 1x0r s SER 4 Ca -0.12 -0.04 0.07 0.00 0.70 0.00 0.00 55.95 56.56 1x0r s SER 4 Cb -0.03 -1.98 -0.05 0.00 -1.71 0.00 0.00 66.02 62.26 1x0r s SER 4 CO 0.06 0.06 -0.14 0.27 1.20 0.00 0.00 173.24 174.69 1x0r s ILE 5 N 1.07 1.62 0.89 6.45 -4.36 -1.26 -3.58 121.20 122.03 1x0r s ILE 5 Ca 0.05 -2.16 -0.12 0.00 -0.26 0.00 0.00 60.65 58.16 1x0r s ILE 5 Cb -0.14 -1.98 0.12 0.00 1.25 0.00 0.00 42.46 41.71 1x0r s ILE 5 CO 0.03 -0.61 1.09 -2.16 0.24 0.00 0.00 174.94 173.53 1x0r s PRO 6 N -3.61 1.32 0.22 0.37 0.05 -1.26 -5.00 135.00 127.09 1x0r s PRO 6 Ca 0.21 0.80 0.10 0.00 0.05 0.00 0.00 61.00 62.16 1x0r s PRO 6 Cb -0.00 -1.82 -0.05 0.00 0.05 0.00 0.00 34.50 32.68 1x0r s PRO 6 CO 0.05 -2.19 -0.19 -0.51 0.05 0.00 0.00 177.00 174.21 1x0r s LEU 7 N -6.18 2.52 0.32 -3.56 1.43 -1.26 -5.07 118.68 106.88 1x0r s LEU 7 Ca 0.63 -0.96 -0.29 0.00 -1.03 0.00 0.00 54.13 52.49 1x0r s LEU 7 Cb -0.18 -0.95 -0.12 0.00 0.03 0.00 0.00 46.19 44.97 1x0r s LEU 7 CO 0.57 -0.01 1.32 -0.38 0.23 0.00 0.00 176.35 178.07 1x0r n ILE 8 N -0.18 1.79 0.00 -0.59 5.41 -1.26 -1.22 119.36 123.31 1x0r n ILE 8 Ca -0.09 -0.45 0.00 0.00 1.00 0.00 0.00 62.75 63.21 1x0r n ILE 8 Cb 0.59 -1.57 0.00 0.00 -0.71 0.00 0.00 39.64 37.95 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 1.05 2.78 3.92 7.39 0.00 0.86 -5.00 105.19 116.19 1x0r n GLY 9 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.71 3.52 0.30 1.61 2.02 -0.36 -4.81 118.70 120.27 1x0r s GLU 10 Ca 0.00 0.00 -0.29 0.00 0.02 0.00 0.00 54.97 54.70 1x0r s GLU 10 Cb 0.00 -2.48 -0.10 0.00 0.10 0.00 0.00 34.13 31.65 1x0r s GLU 10 CO 0.00 -0.08 1.24 0.50 0.02 0.00 0.00 175.26 176.95 1x0r s ARG 11 N -4.58 4.45 0.38 1.61 3.52 -1.26 -1.25 118.95 121.82 1x0r s ARG 11 Ca 0.45 2.06 -0.27 0.00 -0.13 0.00 0.00 55.73 57.84 1x0r s ARG 11 Cb -0.10 -3.12 -0.11 0.00 -1.56 0.00 0.00 34.95 30.06 1x0r s ARG 11 CO 0.42 -0.07 1.36 0.34 -0.81 0.00 0.00 175.30 176.54 1x0r n PHE 12 N 1.17 2.53 -1.67 5.12 7.35 0.24 -4.82 117.46 127.36 1x0r n PHE 12 Ca 0.00 0.50 -0.45 0.00 -0.76 0.00 0.00 57.45 56.74 1x0r n PHE 12 Cb 0.43 -2.45 -0.04 0.00 0.35 0.00 0.00 39.48 37.77 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 0.33 2.23 -2.12 -7.13 -0.02 -1.26 -4.78 135.00 122.26 1x0r n PRO 13 Ca 0.04 0.80 -0.36 0.00 -2.02 0.00 0.00 63.50 61.96 1x0r n PRO 13 Cb 0.38 -2.58 0.02 0.00 -0.02 0.00 0.00 33.50 31.30 1x0r n PRO 13 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1x0r s GLU 14 N 0.94 3.19 -0.07 -0.52 2.12 -1.26 -4.69 118.70 118.42 1x0r s GLU 14 Ca 0.78 1.76 0.02 0.00 0.36 0.00 0.00 54.97 57.90 1x0r s GLU 14 Cb -0.66 -2.01 0.01 0.00 0.26 0.00 0.00 34.13 31.73 1x0r s GLU 14 CO 0.37 -1.01 -0.12 -2.00 -0.54 0.00 0.00 175.26 171.96 1x0r s GLU 16 N -3.24 1.70 0.09 4.30 2.12 -1.26 -4.99 118.70 117.43 1x0r s GLU 16 Ca 0.74 -0.41 0.07 0.00 0.36 0.00 0.00 54.97 55.73 1x0r s GLU 16 Cb -0.28 -1.41 -0.03 0.00 0.26 0.00 0.00 34.13 32.66 1x0r s GLU 16 CO 0.31 0.02 -0.18 0.14 -0.54 0.00 0.00 175.26 175.01 1x0r s VAL 17 N 0.68 1.49 -0.18 3.70 -7.23 0.84 -4.97 120.40 114.73 1x0r s VAL 17 Ca -0.14 -1.46 -0.14 0.00 -1.81 0.00 0.00 61.98 58.43 1x0r s VAL 17 Cb -0.16 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 1x0r s VAL 17 CO 0.04 -0.13 0.30 -0.89 -0.31 0.00 0.00 175.10 174.11 1x0r s THR 18 N -1.22 5.29 0.29 5.32 2.01 -1.26 -1.41 115.64 124.66 1x0r s THR 18 Ca 0.03 0.53 0.06 0.00 0.31 0.00 0.00 61.69 62.63 1x0r s THR 18 Cb -0.10 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 1x0r s THR 18 CO 0.04 0.34 -0.04 0.42 -0.69 0.00 0.00 174.62 174.69 1x0r s THR 19 N 0.80 1.62 -2.00 -0.82 -4.23 -0.50 -0.67 115.64 109.83 1x0r s THR 19 Ca 0.16 -2.11 0.08 0.00 -1.18 0.00 0.00 61.69 58.64 1x0r s THR 19 Cb -0.13 -2.52 0.23 0.00 1.34 0.00 0.00 72.50 71.41 1x0r s THR 19 CO 0.05 -0.25 0.92 -0.90 -0.54 0.00 0.00 174.62 173.90 1x0r n ASP 20 N -0.62 0.00 -0.22 3.99 5.68 -0.81 -0.82 116.55 123.75 1x0r n ASP 20 Ca -0.05 -0.70 0.08 0.00 -0.50 0.00 0.00 54.79 53.62 1x0r n ASP 20 Cb 0.64 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.59 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 -0.76 0.00 0.00 2.11 8.25 -1.26 -4.98 115.22 118.57 1x0r n HIS 21 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1x0r n HIS 21 Cb 0.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 1.22 1.47 3.68 -1.41 0.00 -0.00 -5.02 105.19 105.12 1x0r n GLY 22 Ca 0.05 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 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 -1.33 4.26 0.31 1.61 1.01 -1.26 -1.42 120.40 123.59 1x0r s VAL 23 Ca 0.00 1.58 0.03 0.00 0.00 0.00 0.00 61.98 63.59 1x0r s VAL 23 Cb 0.00 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 1x0r s VAL 23 CO 0.00 -0.02 0.08 0.27 0.00 0.00 0.00 175.10 175.43 1x0r s ILE 24 N 2.39 0.93 -0.15 2.22 -4.36 -0.50 -4.96 121.20 116.77 1x0r s ILE 24 Ca 0.56 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.92 1x0r s ILE 24 Cb -0.24 -2.71 -0.02 0.00 1.25 0.00 0.00 42.46 40.74 1x0r s ILE 24 CO 0.21 0.00 -0.08 -0.75 0.24 0.00 0.00 174.94 174.56 1x0r s LYS 25 N -3.92 3.52 -0.10 0.37 2.20 -1.26 -0.11 119.74 120.44 1x0r s LYS 25 Ca 0.36 -0.60 0.01 0.00 -0.36 0.00 0.00 55.97 55.38 1x0r s LYS 25 Cb 0.08 -2.80 -0.02 0.00 -1.51 0.00 0.00 37.83 33.58 1x0r s LYS 25 CO 0.15 0.19 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.70 1x0r s LEU 26 N 0.45 2.81 0.00 5.43 1.43 -1.26 -1.00 118.68 126.54 1x0r s LEU 26 Ca -0.06 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1x0r s LEU 26 Cb -0.15 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.46 1x0r s LEU 26 CO 0.04 0.25 0.00 -0.81 0.23 0.00 0.00 176.35 176.05 1x0r n PRO 27 N 2.98 0.00 -0.26 1.29 -0.04 -1.26 -4.26 135.00 133.45 1x0r n PRO 27 Ca -0.18 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.22 1x0r n PRO 27 Cb 0.53 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.97 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 -1.44 -1.01 3.54 5.19 -1.95 -0.70 116.42 120.05 1x0r h ASP 28 Ca 0.00 0.26 0.26 0.00 -0.62 0.00 0.00 57.03 56.93 1x0r h ASP 28 Cb 0.00 0.69 -0.12 0.00 0.18 0.00 0.00 39.33 40.07 1x0r h ASP 28 CO 0.00 -0.31 0.60 -0.74 -3.12 0.00 0.00 179.24 175.67 1x0r h HIS 29 N -0.14 0.97 0.11 4.55 2.76 -1.41 0.61 115.15 122.60 1x0r h HIS 29 Ca 0.23 0.03 -0.28 0.00 -2.20 0.00 0.00 60.37 58.16 1x0r h HIS 29 Cb 0.56 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 1x0r h HIS 29 CO -0.75 0.04 -1.44 1.88 -1.30 0.00 0.00 177.93 176.36 1x0r h TYR 30 N 0.54 0.41 -0.60 5.26 -1.99 -1.42 -3.33 116.97 115.83 1x0r h TYR 30 Ca 0.65 -0.30 0.07 0.00 2.00 0.00 0.00 58.73 61.15 1x0r h TYR 30 Cb 1.30 -0.02 -0.06 0.00 2.00 0.00 0.00 36.73 39.96 1x0r h TYR 30 CO -0.01 1.56 0.30 0.28 -0.00 0.00 0.00 178.16 180.29 1x0r h VAL 31 N -0.32 0.90 -0.99 -2.88 2.07 -0.94 -0.43 116.25 113.66 1x0r h VAL 31 Ca -0.31 -0.19 0.32 0.00 0.82 0.00 0.00 66.70 67.33 1x0r h VAL 31 Cb 1.75 0.31 -0.15 0.00 -1.52 0.00 0.00 31.29 31.67 1x0r h VAL 31 CO 0.04 0.10 0.51 0.28 0.02 0.00 0.00 177.57 178.52 1x0r h SER 32 N 0.54 0.41 -0.08 0.57 0.02 0.08 0.41 113.55 115.50 1x0r h SER 32 Ca 0.28 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1x0r h SER 32 Cb 0.24 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1x0r h SER 32 CO -0.21 -0.16 0.00 0.00 -1.14 0.00 0.00 176.83 175.31 1x0r n GLN 33 N -5.10 1.76 -1.09 3.45 6.02 -0.27 -4.92 117.38 117.23 1x0r n GLN 33 Ca 0.31 -1.11 -0.03 0.00 -0.01 0.00 0.00 57.00 56.15 1x0r n GLN 33 Cb 0.96 -1.45 -0.01 0.00 1.02 0.00 0.00 30.24 30.76 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 1.18 0.60 3.89 1.08 0.00 0.13 -5.00 105.19 107.08 1x0r n GLY 34 Ca 0.18 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.53 3.41 0.66 1.61 1.02 -0.59 -4.81 119.74 119.52 1x0r s LYS 35 Ca 0.00 -0.32 -0.07 0.00 0.02 0.00 0.00 55.97 55.60 1x0r s LYS 35 Cb 0.00 -3.08 0.04 0.00 -0.52 0.00 0.00 37.83 34.26 1x0r s LYS 35 CO 0.00 0.68 0.98 -1.58 -0.92 0.00 0.00 175.35 174.51 1x0r s TRP 36 N -1.30 3.06 0.07 3.18 0.52 -0.52 -4.02 118.94 119.93 1x0r s TRP 36 Ca 0.26 0.56 -0.07 0.00 0.02 0.00 0.00 56.10 56.87 1x0r s TRP 36 Cb -0.13 -3.02 -0.01 0.00 -1.15 0.00 0.00 33.47 29.16 1x0r s TRP 36 CO 0.18 -1.19 0.15 -0.59 0.02 0.00 0.00 176.95 175.52 1x0r s PHE 37 N -3.16 0.19 -0.21 -1.98 -0.12 -0.04 -0.59 117.98 112.08 1x0r s PHE 37 Ca 0.58 -0.59 0.02 0.00 -0.05 0.00 0.00 56.93 56.88 1x0r s PHE 37 Cb -0.11 -0.11 0.04 0.00 -0.63 0.00 0.00 43.02 42.21 1x0r s PHE 37 CO 0.45 -0.48 -0.15 0.08 -0.05 0.00 0.00 175.22 175.07 1x0r s VAL 38 N -3.50 2.01 -0.19 -2.49 1.01 -0.12 -1.20 120.40 115.91 1x0r s VAL 38 Ca 0.02 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 60.73 1x0r s VAL 38 Cb 0.04 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 1x0r s VAL 38 CO -0.09 0.29 0.16 -0.22 0.00 0.00 0.00 175.10 175.25 1x0r s LEU 39 N 1.25 4.22 0.10 3.92 2.96 -0.20 -1.61 118.68 129.32 1x0r s LEU 39 Ca -0.01 0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.22 1x0r s LEU 39 Cb -0.16 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 1x0r s LEU 39 CO -0.10 0.17 -0.08 0.72 -1.32 0.00 0.00 176.35 175.75 1x0r s PHE 40 N 0.33 0.95 0.23 5.38 -0.12 0.59 -0.07 117.98 125.28 1x0r s PHE 40 Ca 0.10 -0.77 0.10 0.00 -0.05 0.00 0.00 56.93 56.30 1x0r s PHE 40 Cb -0.11 -0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 41.70 1x0r s PHE 40 CO -0.01 -0.07 -0.09 -1.54 -0.05 0.00 0.00 175.22 173.46 1x0r s SER 41 N -2.71 4.17 0.02 1.98 1.04 -0.14 -1.03 113.70 117.03 1x0r s SER 41 Ca 0.08 -0.71 -0.02 0.00 0.48 0.00 0.00 55.95 55.78 1x0r s SER 41 Cb 0.01 -0.65 -0.01 0.00 0.10 0.00 0.00 66.02 65.46 1x0r s SER 41 CO -0.02 0.05 0.02 -1.38 0.98 0.00 0.00 173.24 172.89 1x0r s HIS 42 N -2.09 0.21 0.31 5.02 -3.43 -0.43 -3.54 115.29 111.33 1x0r s HIS 42 Ca 0.28 -0.43 0.03 0.00 -0.80 0.00 0.00 55.06 54.14 1x0r s HIS 42 Cb -0.07 -0.16 0.50 0.00 -1.43 0.00 0.00 32.58 31.43 1x0r s HIS 42 CO 0.17 -0.22 1.80 -1.00 -2.00 0.00 0.00 174.74 173.49 1x0r h PRO 43 N 4.51 0.53 -1.65 -0.38 0.13 -1.74 -3.41 132.00 129.99 1x0r h PRO 43 Ca -0.32 -0.15 0.05 0.00 -0.87 0.00 0.00 66.00 64.72 1x0r h PRO 43 Cb 1.20 -0.06 -0.26 0.00 0.13 0.00 0.00 31.00 32.02 1x0r h PRO 43 CO 0.41 0.63 0.40 0.00 -0.23 0.00 0.00 178.00 179.21 1x0r s ALA 44 N -4.78 -1.98 0.89 -0.56 0.00 -1.26 -4.33 121.76 109.73 1x0r s ALA 44 Ca -0.07 1.95 -0.10 0.00 0.00 0.00 0.00 51.96 53.73 1x0r s ALA 44 Cb 0.15 -1.44 0.13 0.00 0.00 0.00 0.00 23.12 21.96 1x0r s ALA 44 CO 0.78 -0.26 1.14 -0.51 0.00 0.00 0.00 175.76 176.90 1x0r s ASP 45 N 0.42 3.21 -1.44 0.00 1.01 -1.26 -2.86 116.67 115.75 1x0r s ASP 45 Ca 0.01 2.12 -0.05 0.00 0.71 0.00 0.00 52.55 55.34 1x0r s ASP 45 Cb -0.05 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.35 1x0r s ASP 45 CO -0.07 -2.91 0.45 0.49 0.21 0.00 0.00 175.17 173.35 1x0r n PHE 46 N -4.10 -1.77 -4.56 4.23 3.01 -1.26 -5.01 117.46 108.00 1x0r n PHE 46 Ca 0.11 0.40 -0.22 0.00 1.01 0.00 0.00 57.45 58.76 1x0r n PHE 46 Cb 0.52 -3.79 -0.14 0.00 -0.01 0.00 0.00 39.48 36.06 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 -3.03 1.18 0.18 4.37 -4.23 -1.13 -5.09 115.64 107.89 1x0r s THR 47 Ca 0.27 -0.80 -0.10 0.00 -1.18 0.00 0.00 61.69 59.89 1x0r s THR 47 Cb -0.13 -1.02 0.09 0.00 1.34 0.00 0.00 72.50 72.78 1x0r s THR 47 CO 0.34 0.21 1.70 1.55 -0.54 0.00 0.00 174.62 177.87 1x0r h PRO 48 N 5.42 1.03 -0.30 3.99 0.13 -1.95 -1.83 132.00 138.48 1x0r h PRO 48 Ca -0.36 -0.24 -0.15 0.00 -0.87 0.00 0.00 66.00 64.37 1x0r h PRO 48 Cb 1.17 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1x0r h PRO 48 CO 0.47 0.92 -0.43 0.28 -0.23 0.00 0.00 178.00 179.00 1x0r h VAL 49 N 0.95 1.29 -0.19 1.56 2.07 -1.99 -1.93 116.25 118.01 1x0r h VAL 49 Ca 0.20 -1.62 0.03 0.00 0.82 0.00 0.00 66.70 66.13 1x0r h VAL 49 Cb 0.35 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1x0r h VAL 49 CO 0.00 0.52 0.01 0.00 0.02 0.00 0.00 177.57 178.12 1x0r h THR 51 N 0.07 0.87 -0.60 0.00 2.02 -1.01 0.68 112.91 114.93 1x0r h THR 51 Ca 0.09 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1x0r h THR 51 Cb 0.10 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 1x0r h THR 51 CO -0.14 0.07 0.32 0.71 0.37 0.00 0.00 175.52 176.84 1x0r h THR 52 N 0.37 1.19 -0.25 3.16 1.35 -0.72 -0.51 112.91 117.50 1x0r h THR 52 Ca 0.22 -0.48 -0.10 0.00 -0.55 0.00 0.00 66.41 65.51 1x0r h THR 52 Cb 0.21 0.39 -0.00 0.00 -1.73 0.00 0.00 68.15 67.01 1x0r h THR 52 CO -0.21 0.21 -0.22 -0.33 -0.25 0.00 0.00 175.52 174.71 1x0r h GLU 53 N 0.84 0.60 -0.66 4.72 5.08 -0.39 -0.31 114.58 124.45 1x0r h GLU 53 Ca 0.21 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1x0r h GLU 53 Cb 0.04 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1x0r h GLU 53 CO -0.03 0.90 0.36 0.74 -1.00 0.00 0.00 179.01 179.97 1x0r h PHE 54 N 0.32 0.88 -0.60 4.33 -1.00 -0.52 0.81 116.94 121.16 1x0r h PHE 54 Ca 0.04 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.74 1x0r h PHE 54 Cb 0.77 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 40.02 1x0r h PHE 54 CO 0.07 0.62 0.09 0.28 -1.61 0.00 0.00 178.31 177.76 1x0r h VAL 55 N 0.91 1.25 -0.26 -0.55 2.07 -0.96 -0.83 116.25 117.88 1x0r h VAL 55 Ca 0.23 -0.99 -0.15 0.00 0.82 0.00 0.00 66.70 66.61 1x0r h VAL 55 Cb 0.03 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1x0r h VAL 55 CO -0.04 0.37 -0.44 -1.28 0.02 0.00 0.00 177.57 176.20 1x0r h SER 56 N 0.92 0.84 -0.58 0.57 0.87 -0.12 0.12 113.55 116.17 1x0r h SER 56 Ca 0.19 -0.52 -0.03 0.00 -1.23 0.00 0.00 61.79 60.19 1x0r h SER 56 Cb 0.41 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 1x0r h SER 56 CO 0.01 1.20 0.23 -0.26 -0.53 0.00 0.00 176.83 177.48 1x0r h PHE 57 N 0.50 0.88 -0.32 2.24 -1.00 -0.83 -2.52 116.94 115.90 1x0r h PHE 57 Ca 0.02 -0.07 -0.00 0.00 2.81 0.00 0.00 57.97 60.73 1x0r h PHE 57 Cb 1.04 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 40.32 1x0r h PHE 57 CO 0.08 0.71 0.20 0.00 -1.61 0.00 0.00 178.31 177.69 1x0r h ALA 58 N 1.08 0.40 0.00 2.45 0.00 -0.62 0.17 119.26 122.74 1x0r h ALA 58 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1x0r h ALA 58 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1x0r h ALA 58 CO -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.13 1x0r h ARG 59 N 0.41 0.00 -0.45 0.00 2.47 -0.95 -2.20 114.38 113.67 1x0r h ARG 59 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1x0r h ARG 59 Cb -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1x0r h ARG 59 CO -0.02 0.00 0.00 0.54 0.56 0.00 0.00 179.97 181.05 1x0r n ARG 60 N -3.06 2.84 -0.12 0.04 1.74 -0.27 -4.65 116.66 113.18 1x0r n ARG 60 Ca -0.01 -2.22 -0.06 0.00 -0.77 0.00 0.00 57.85 54.79 1x0r n ARG 60 Cb 0.18 -1.35 0.02 0.00 -1.02 0.00 0.00 32.46 30.30 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 2.63 0.32 -0.58 -1.55 3.20 -0.37 -1.32 116.97 119.31 1x0r h TYR 61 Ca 0.00 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.01 1x0r h TYR 61 Cb 0.80 -0.09 -0.10 0.00 1.54 0.00 0.00 36.73 38.88 1x0r h TYR 61 CO 0.30 0.16 -0.07 1.49 -1.64 0.00 0.00 178.16 178.40 1x0r h GLU 62 N 0.36 0.05 -0.69 1.82 4.57 -1.82 0.34 114.58 119.22 1x0r h GLU 62 Ca 0.17 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.39 1x0r h GLU 62 Cb 0.11 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.64 1x0r h GLU 62 CO -0.14 0.04 0.41 -0.44 -1.18 0.00 0.00 179.01 177.70 1x0r h ASP 63 N 0.06 0.65 -0.42 1.04 3.32 -1.64 0.11 116.42 119.54 1x0r h ASP 63 Ca 0.29 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.27 1x0r h ASP 63 Cb 0.46 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1x0r h ASP 63 CO -0.54 0.43 -0.06 -0.26 -1.72 0.00 0.00 179.24 177.09 1x0r h PHE 64 N 0.78 0.86 -0.64 4.55 -1.00 -0.14 -2.57 116.94 118.78 1x0r h PHE 64 Ca 0.29 -0.17 -0.02 0.00 2.81 0.00 0.00 57.97 60.88 1x0r h PHE 64 Cb 0.11 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.42 1x0r h PHE 64 CO -0.06 0.87 0.32 1.96 -1.61 0.00 0.00 178.31 179.79 1x0r h GLN 65 N 0.60 0.91 -0.60 1.51 4.20 0.05 0.88 115.11 122.65 1x0r h GLN 65 Ca 0.11 -0.12 0.11 0.00 0.06 0.00 0.00 58.65 58.80 1x0r h GLN 65 Cb 0.57 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 1x0r h GLN 65 CO 0.03 0.71 0.41 0.00 -0.67 0.00 0.00 178.83 179.31 1x0r h ARG 66 N 0.87 0.36 -0.01 1.46 3.08 -0.78 0.16 114.38 119.53 1x0r h ARG 66 Ca 0.22 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1x0r h ARG 66 Cb 0.09 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1x0r h ARG 66 CO -0.03 0.24 -0.02 1.28 -1.07 0.00 0.00 179.97 180.37 1x0r n LEU 67 N -4.46 0.65 -1.04 3.04 4.77 0.22 -4.92 117.00 115.26 1x0r n LEU 67 Ca 0.10 -0.19 -0.05 0.00 -0.03 0.00 0.00 56.01 55.84 1x0r n LEU 67 Cb 0.40 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.48 1x0r n LEU 67 CO 0.34 0.11 0.03 0.61 -1.33 0.00 0.00 177.39 177.15 1x0r n GLY 68 N 1.11 0.56 3.00 -0.72 0.00 0.56 -4.93 105.19 104.77 1x0r n GLY 68 Ca 0.21 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.92 1.27 0.32 1.61 1.01 -0.71 -1.44 120.40 119.53 1x0r s VAL 69 Ca 0.10 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1x0r s VAL 69 Cb -0.05 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1x0r s VAL 69 CO 0.13 0.40 0.41 -1.81 0.00 0.00 0.00 175.10 174.22 1x0r s ASP 70 N 1.20 5.86 0.03 3.32 1.01 0.25 -3.59 116.67 124.75 1x0r s ASP 70 Ca -0.04 -0.22 0.09 0.00 0.71 0.00 0.00 52.55 53.09 1x0r s ASP 70 Cb -0.14 -1.27 -0.03 0.00 1.01 0.00 0.00 42.92 42.49 1x0r s ASP 70 CO -0.03 -0.35 -0.26 -0.76 0.21 0.00 0.00 175.17 173.97 1x0r s LEU 71 N -4.10 2.13 -0.11 1.23 1.43 -1.26 -0.95 118.68 117.05 1x0r s LEU 71 Ca 0.42 -0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 1x0r s LEU 71 Cb -0.09 -1.28 0.04 0.00 0.03 0.00 0.00 46.19 44.90 1x0r s LEU 71 CO 0.30 0.27 0.27 -0.51 0.23 0.00 0.00 176.35 176.91 1x0r s ILE 72 N -0.74 -0.03 0.35 -0.59 2.07 -0.63 -4.24 121.20 117.38 1x0r s ILE 72 Ca 0.11 0.12 0.05 0.00 -1.41 0.00 0.00 60.65 59.52 1x0r s ILE 72 Cb -0.10 -0.41 0.06 0.00 0.13 0.00 0.00 42.46 42.14 1x0r s ILE 72 CO 0.01 0.05 0.49 0.61 -1.91 0.00 0.00 174.94 174.19 1x0r n GLY 73 N 4.05 1.86 3.61 1.50 0.00 0.34 -0.30 105.19 116.25 1x0r n GLY 73 Ca -0.23 -2.18 -0.03 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 -0.77 0.31 0.99 0.20 -0.20 -0.11 118.68 119.11 1x0r s LEU 74 Ca 0.37 1.17 -0.06 0.00 0.69 0.00 0.00 54.13 56.30 1x0r s LEU 74 Cb -0.03 2.04 0.00 0.00 -0.43 0.00 0.00 46.19 47.77 1x0r s LEU 74 CO 0.23 -0.18 0.47 -0.94 -0.29 0.00 0.00 176.35 175.64 1x0r s SER 75 N 1.83 0.55 0.00 3.68 1.04 -0.85 -1.31 113.70 118.65 1x0r s SER 75 Ca -0.08 -1.32 0.31 0.00 0.48 0.00 0.00 55.95 55.34 1x0r s SER 75 Cb -0.06 0.63 1.67 0.00 0.10 0.00 0.00 66.02 68.37 1x0r s SER 75 CO -0.18 -1.25 2.11 1.33 0.98 0.00 0.00 173.24 176.24 1x0r n VAL 76 N -0.49 0.01 -0.91 5.02 0.24 -1.26 -1.05 118.33 119.89 1x0r n VAL 76 Ca -0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.02 1x0r n VAL 76 Cb 0.62 -0.51 0.21 0.00 -1.47 0.00 0.00 33.84 32.69 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 -2.31 1.86 0.57 -1.34 1.11 -1.26 -2.31 116.67 112.98 1x0r s ASP 77 Ca 0.37 1.31 0.01 0.00 0.18 0.00 0.00 52.55 54.41 1x0r s ASP 77 Cb 0.21 -2.03 0.04 0.00 1.07 0.00 0.00 42.92 42.21 1x0r s ASP 77 CO 0.41 -3.62 0.80 -0.94 1.18 0.00 0.00 175.17 173.00 1x0r s SER 78 N -3.07 5.20 0.49 0.27 1.04 -1.26 -3.72 113.70 112.65 1x0r s SER 78 Ca 0.67 -0.02 0.23 0.00 0.48 0.00 0.00 55.95 57.31 1x0r s SER 78 Cb -0.21 -0.83 1.26 0.00 0.10 0.00 0.00 66.02 66.34 1x0r s SER 78 CO 0.61 -1.21 2.02 -0.37 0.98 0.00 0.00 173.24 175.27 1x0r h VAL 79 N 0.00 0.77 -0.44 5.02 -1.51 -1.94 -1.29 116.25 116.87 1x0r h VAL 79 Ca -0.42 -0.63 -0.12 0.00 -1.23 0.00 0.00 66.70 64.30 1x0r h VAL 79 Cb 1.30 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 1x0r h VAL 79 CO 0.52 0.16 -0.18 -0.26 -1.23 0.00 0.00 177.57 176.57 1x0r h PHE 80 N 0.00 1.03 -0.52 5.19 -1.00 -2.00 -1.68 116.94 117.96 1x0r h PHE 80 Ca -0.00 -0.25 0.00 0.00 2.81 0.00 0.00 57.97 60.53 1x0r h PHE 80 Cb 0.37 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.66 1x0r h PHE 80 CO 0.00 1.03 0.33 0.77 -1.61 0.00 0.00 178.31 178.83 1x0r h SER 81 N 0.73 0.62 -0.07 2.17 0.02 -1.86 -0.98 113.55 114.17 1x0r h SER 81 Ca 0.10 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1x0r h SER 81 Cb 0.75 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.10 1x0r h SER 81 CO 0.06 0.47 -0.14 0.45 -1.14 0.00 0.00 176.83 176.53 1x0r h HIS 82 N 0.71 -0.36 -0.58 3.45 3.86 -0.86 0.21 115.15 121.57 1x0r h HIS 82 Ca 0.19 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 1x0r h HIS 82 Cb -0.04 0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 1x0r h HIS 82 CO -0.03 -0.21 0.33 0.82 0.86 0.00 0.00 177.93 179.70 1x0r h ILE 83 N -0.20 1.19 -0.69 2.45 2.04 -1.19 0.11 117.51 121.21 1x0r h ILE 83 Ca 0.07 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 1x0r h ILE 83 Cb 0.30 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1x0r h ILE 83 CO -0.19 0.20 0.28 0.11 0.00 0.00 0.00 178.15 178.55 1x0r h LYS 84 N 0.79 1.03 -0.55 2.37 1.79 -0.87 0.16 116.57 121.29 1x0r h LYS 84 Ca 0.21 -0.18 -0.10 0.00 -2.18 0.00 0.00 60.65 58.39 1x0r h LYS 84 Cb 0.03 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 1x0r h LYS 84 CO -0.03 0.85 -0.04 2.35 -1.08 0.00 0.00 179.45 181.50 1x0r h TRP 85 N 0.98 1.10 -0.52 -1.35 7.01 -0.35 0.16 115.95 122.98 1x0r h TRP 85 Ca 0.23 -0.21 -0.08 0.00 2.11 0.00 0.00 58.89 60.94 1x0r h TRP 85 Cb 0.20 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 1x0r h TRP 85 CO 0.01 1.00 -0.02 0.87 -2.79 0.00 0.00 178.44 177.52 1x0r h LYS 86 N 0.88 0.89 -0.48 2.65 1.57 -0.31 -0.14 116.57 121.62 1x0r h LYS 86 Ca 0.15 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1x0r h LYS 86 Cb 0.59 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1x0r h LYS 86 CO 0.04 0.89 0.31 0.93 -0.57 0.00 0.00 179.45 181.05 1x0r h GLU 87 N 0.82 0.65 -0.93 3.15 5.08 -0.12 -2.25 114.58 120.97 1x0r h GLU 87 Ca 0.15 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.53 1x0r h GLU 87 Cb 0.51 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 1x0r h GLU 87 CO 0.03 0.45 0.59 2.35 -1.00 0.00 0.00 179.01 181.42 1x0r h TRP 88 N 0.65 1.09 -0.48 4.33 7.01 0.19 -0.75 115.95 127.98 1x0r h TRP 88 Ca 0.18 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.15 1x0r h TRP 88 Cb -0.04 -0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 26.64 1x0r h TRP 88 CO -0.04 0.55 0.07 0.82 -2.79 0.00 0.00 178.44 177.06 1x0r h ILE 89 N 1.06 1.25 -0.05 2.65 2.04 -0.80 0.44 117.51 124.11 1x0r h ILE 89 Ca 0.41 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 1x0r h ILE 89 Cb 0.19 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1x0r h ILE 89 CO -0.18 0.33 0.03 -0.08 0.00 0.00 0.00 178.15 178.25 1x0r h GLU 90 N 0.67 0.08 -0.38 2.37 4.81 -1.19 0.62 114.58 121.56 1x0r h GLU 90 Ca 0.14 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1x0r h GLU 90 Cb 0.40 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1x0r h GLU 90 CO 0.01 0.15 0.10 -0.09 -0.73 0.00 0.00 179.01 178.45 1x0r h ARG 91 N -0.02 0.60 0.00 1.92 2.43 -0.96 -1.71 114.38 116.63 1x0r h ARG 91 Ca 0.02 -0.14 -0.20 0.00 -0.81 0.00 0.00 59.98 58.85 1x0r h ARG 91 Cb 0.10 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1x0r h ARG 91 CO -0.00 0.63 -1.89 0.72 -1.51 0.00 0.00 179.97 177.92 1x0r n HIS 92 N -4.60 0.41 0.07 2.20 8.25 0.15 -4.35 115.22 117.36 1x0r n HIS 92 Ca -0.01 0.14 0.06 0.00 -0.26 0.00 0.00 57.72 57.65 1x0r n HIS 92 Cb 0.19 -0.92 -0.09 0.00 1.12 0.00 0.00 29.99 30.29 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 -2.69 0.00 -0.79 1.59 5.41 0.21 -4.68 119.36 118.42 1x0r n ILE 93 Ca -0.16 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.31 1x0r n ILE 93 Cb 0.88 0.32 0.00 0.00 -0.71 0.00 0.00 39.64 40.13 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 1.72 0.56 3.28 7.39 0.00 -0.64 -4.92 105.19 112.58 1x0r n GLY 94 Ca -0.02 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 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 2.64 -0.03 1.61 1.01 -1.24 -4.95 120.40 117.44 1x0r s VAL 95 Ca 0.00 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 1x0r s VAL 95 Cb 0.00 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1x0r s VAL 95 CO 0.00 0.53 0.44 -0.60 0.00 0.00 0.00 175.10 175.47 1x0r s ARG 96 N 0.63 4.08 -0.37 2.72 3.52 -1.26 -2.96 118.95 125.31 1x0r s ARG 96 Ca -0.09 0.45 -0.18 0.00 -0.13 0.00 0.00 55.73 55.78 1x0r s ARG 96 Cb -0.16 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 1x0r s ARG 96 CO 0.03 0.53 0.48 0.42 -0.81 0.00 0.00 175.30 175.95 1x0r s ILE 97 N -0.58 5.04 -2.67 4.11 -1.09 -1.26 -4.88 121.20 119.86 1x0r s ILE 97 Ca 0.25 0.11 0.26 0.00 -2.23 0.00 0.00 60.65 59.04 1x0r s ILE 97 Cb -0.16 -3.98 0.40 0.00 -1.58 0.00 0.00 42.46 37.14 1x0r s ILE 97 CO 0.13 -0.28 1.53 -0.81 -1.23 0.00 0.00 174.94 174.28 1x0r n PRO 98 N 5.71 1.96 -4.28 2.79 -0.04 -1.26 -4.93 135.00 134.95 1x0r n PRO 98 Ca -0.06 -1.40 -0.24 0.00 -0.04 0.00 0.00 63.50 61.76 1x0r n PRO 98 Cb 0.49 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.96 2.60 0.61 0.54 -0.12 -1.26 -5.09 117.98 113.30 1x0r s PHE 99 Ca 0.34 -0.38 -0.17 0.00 -0.05 0.00 0.00 56.93 56.67 1x0r s PHE 99 Cb 0.20 -1.46 -0.02 0.00 -0.63 0.00 0.00 43.02 41.12 1x0r s PHE 99 CO 0.32 0.48 1.11 -1.25 -0.05 0.00 0.00 175.22 175.83 1x0r s PRO 100 N -3.73 3.03 -0.06 1.99 0.04 -1.26 -4.90 135.00 130.10 1x0r s PRO 100 Ca 0.35 1.46 0.02 0.00 0.04 0.00 0.00 61.00 62.87 1x0r s PRO 100 Cb -0.02 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1x0r s PRO 100 CO 0.20 -1.08 -0.12 0.42 0.04 0.00 0.00 177.00 176.46 1x0r s ILE 101 N -2.14 1.12 0.33 0.56 1.01 -1.26 -0.51 121.20 120.31 1x0r s ILE 101 Ca 0.69 -0.47 -0.28 0.00 0.00 0.00 0.00 60.65 60.59 1x0r s ILE 101 Cb -0.21 -1.02 -0.10 0.00 0.01 0.00 0.00 42.46 41.13 1x0r s ILE 101 CO 0.36 0.35 1.22 -0.63 0.00 0.00 0.00 174.94 176.24 1x0r s ILE 102 N 0.66 3.01 -0.27 2.92 1.01 0.85 -1.92 121.20 127.45 1x0r s ILE 102 Ca -0.14 0.99 -0.07 0.00 0.00 0.00 0.00 60.65 61.42 1x0r s ILE 102 Cb -0.16 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 1x0r s ILE 102 CO 0.04 0.21 0.08 0.00 0.00 0.00 0.00 174.94 175.27 1x0r s ALA 103 N -1.19 3.11 -0.53 9.38 0.00 0.15 -2.01 121.76 130.67 1x0r s ALA 103 Ca 0.49 -1.30 0.07 0.00 0.00 0.00 0.00 51.96 51.22 1x0r s ALA 103 Cb -0.36 -2.12 0.25 0.00 0.00 0.00 0.00 23.12 20.89 1x0r s ALA 103 CO 0.47 -0.72 0.66 -0.40 0.00 0.00 0.00 175.76 175.77 1x0r n ASP 104 N 4.90 2.26 -4.77 0.00 3.85 -0.22 -4.51 116.55 118.06 1x0r n ASP 104 Ca -0.15 -3.14 -0.41 0.00 -0.71 0.00 0.00 54.79 50.38 1x0r n ASP 104 Cb 0.50 -0.65 -0.01 0.00 -1.35 0.00 0.00 41.12 39.60 1x0r n ASP 104 CO 0.00 0.00 0.00 -2.84 -1.01 0.00 0.00 177.20 173.35 1x0r s PRO 105 N -1.98 4.11 0.00 0.11 0.02 -0.98 0.43 135.00 136.72 1x0r s PRO 105 Ca 0.38 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.98 1x0r s PRO 105 Cb 0.17 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.70 1x0r s PRO 105 CO -0.06 -0.58 0.00 1.04 -0.33 0.00 0.00 177.00 177.08 1x0r n GLN 106 N 1.17 0.00 -1.05 5.54 3.00 -1.26 -4.54 117.38 120.24 1x0r n GLN 106 Ca 0.04 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.01 1x0r n GLN 106 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.62 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 0.00 0.54 0.06 1.08 0.00 0.17 -4.91 105.19 102.12 1x0r n GLY 107 Ca 0.00 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 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 1.02 -0.28 2.61 2.02 -1.80 -0.64 112.91 115.85 1x0r h THR 108 Ca -0.04 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1x0r h THR 108 Cb 0.17 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1x0r h THR 108 CO 0.05 0.04 0.13 0.58 0.37 0.00 0.00 175.52 176.69 1x0r h VAL 109 N -0.11 1.15 -0.62 3.16 2.07 -1.91 -2.68 116.25 117.32 1x0r h VAL 109 Ca -0.00 -0.43 0.13 0.00 0.82 0.00 0.00 66.70 67.21 1x0r h VAL 109 Cb 0.10 0.93 -0.10 0.00 -1.52 0.00 0.00 31.29 30.70 1x0r h VAL 109 CO 0.01 0.15 0.07 0.00 0.02 0.00 0.00 177.57 177.82 1x0r h ALA 110 N 0.99 0.68 -0.51 1.67 0.00 -1.82 -1.11 119.26 119.15 1x0r h ALA 110 Ca 0.09 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 1x0r h ALA 110 Cb 0.12 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1x0r h ALA 110 CO -0.01 -0.36 -0.14 0.00 0.00 0.00 0.00 179.25 178.74 1x0r h ARG 111 N 0.18 0.98 -0.37 0.00 3.08 -1.05 0.36 114.38 117.56 1x0r h ARG 111 Ca 0.33 -0.37 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1x0r h ARG 111 Cb 0.52 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1x0r h ARG 111 CO -0.47 1.04 0.25 -0.09 -1.07 0.00 0.00 179.97 179.63 1x0r h ARG 112 N 0.87 0.44 -0.49 0.04 9.65 -1.07 -1.45 114.38 122.37 1x0r h ARG 112 Ca 0.13 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 1x0r h ARG 112 Cb 0.69 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 1x0r h ARG 112 CO 0.05 0.29 0.00 1.28 2.80 0.00 0.00 179.97 184.39 1x0r n LEU 113 N -4.48 3.38 -2.11 3.80 4.77 -0.47 -4.33 117.00 117.55 1x0r n LEU 113 Ca 0.03 -1.55 -0.14 0.00 -0.03 0.00 0.00 56.01 54.32 1x0r n LEU 113 Cb 0.10 -0.32 0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1x0r n LEU 113 CO 0.35 0.78 0.05 0.61 -1.33 0.00 0.00 177.39 177.85 1x0r n GLY 114 N 1.51 -0.03 0.36 -0.72 0.00 -0.25 -4.61 105.19 101.45 1x0r n GLY 114 Ca 0.20 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.82 1.64 -4.40 0.99 4.77 -0.05 -4.75 117.00 112.37 1x0r n LEU 115 Ca -0.04 -0.60 -0.44 0.00 -0.03 0.00 0.00 56.01 54.89 1x0r n LEU 115 Cb 0.56 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1x0r n LEU 115 CO 0.33 0.32 0.27 -0.76 -1.33 0.00 0.00 177.39 176.21 1x0r s LEU 116 N -2.58 5.34 0.00 2.23 1.43 -1.26 -1.00 118.68 122.83 1x0r s LEU 116 Ca 0.18 -1.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.07 1x0r s LEU 116 Cb 0.18 -2.33 0.02 0.00 0.03 0.00 0.00 46.19 44.09 1x0r s LEU 116 CO 0.61 -0.89 0.19 1.41 0.23 0.00 0.00 176.35 177.90 1x0r n HIS 117 N 5.92 -2.92 0.27 0.29 8.25 -1.25 -5.00 115.22 120.78 1x0r n HIS 117 Ca -0.09 -0.46 0.17 0.00 -0.26 0.00 0.00 57.72 57.07 1x0r n HIS 117 Cb 0.44 -0.13 0.65 0.00 1.12 0.00 0.00 29.99 32.07 1x0r n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x0r h ALA 118 N 0.25 1.00 -0.21 -1.41 0.00 -1.97 -2.91 119.26 114.01 1x0r h ALA 118 Ca -0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1x0r h ALA 118 Cb 0.28 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1x0r h ALA 118 CO 0.09 0.02 -0.10 0.93 0.00 0.00 0.00 179.25 180.18 1x0r h GLU 119 N 0.00 0.34 -2.74 0.00 5.08 -1.96 -3.43 114.58 111.87 1x0r h GLU 119 Ca -0.00 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1x0r h GLU 119 Cb 0.55 -0.05 -0.26 0.00 0.50 0.00 0.00 28.75 29.49 1x0r h GLU 119 CO 0.00 0.45 -0.30 0.45 -1.00 0.00 0.00 179.01 178.62 1x0r s SER 120 N -6.83 -0.45 0.00 1.42 0.15 -1.10 -5.00 113.70 101.89 1x0r s SER 120 Ca -0.06 0.82 0.27 0.00 0.70 0.00 0.00 55.95 57.67 1x0r s SER 120 Cb 0.15 0.75 0.80 0.00 -1.71 0.00 0.00 66.02 66.01 1x0r s SER 120 CO 0.75 -0.17 1.59 0.00 1.20 0.00 0.00 173.24 176.61 1x0r n ALA 121 N 3.70 3.02 -0.01 5.45 0.00 -1.26 -3.91 120.51 127.50 1x0r n ALA 121 Ca -0.19 -0.40 -0.00 0.00 0.00 0.00 0.00 53.44 52.84 1x0r n ALA 121 Cb 0.56 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 1x0r n ALA 121 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1x0r n THR 122 N -0.60 0.08 -4.77 0.00 5.66 -1.26 -5.04 114.28 108.36 1x0r n THR 122 Ca 0.13 -0.06 -0.25 0.00 -3.05 0.00 0.00 64.05 60.81 1x0r n THR 122 Cb 0.35 -0.58 -0.15 0.00 -1.55 0.00 0.00 70.33 68.40 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 -2.06 1.72 0.77 1.09 4.02 -1.26 -4.92 115.29 114.64 1x0r s HIS 123 Ca -0.01 -0.35 -0.11 0.00 1.02 0.00 0.00 55.06 55.62 1x0r s HIS 123 Cb 0.01 -1.06 0.06 0.00 -1.02 0.00 0.00 32.58 30.56 1x0r s HIS 123 CO 0.07 0.03 1.09 0.95 1.02 0.00 0.00 174.74 177.90 1x0r s THR 124 N -0.62 3.31 0.00 1.30 -4.23 -1.26 -4.67 115.64 109.46 1x0r s THR 124 Ca 0.07 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 61.01 1x0r s THR 124 Cb -0.08 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.85 1x0r s THR 124 CO 0.00 -0.55 0.00 1.33 -0.54 0.00 0.00 174.62 174.87 1x0r n VAL 125 N -3.48 0.00 -3.12 2.29 0.24 -0.17 -3.29 118.33 110.80 1x0r n VAL 125 Ca 0.09 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 61.94 1x0r n VAL 125 Cb 0.53 -1.49 -0.01 0.00 -1.47 0.00 0.00 33.84 31.39 1x0r n VAL 125 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1x0r s ARG 126 N -2.89 3.87 0.19 7.34 0.52 0.25 -4.01 118.95 124.24 1x0r s ARG 126 Ca 0.00 -2.48 -0.05 0.00 -0.52 0.00 0.00 55.73 52.68 1x0r s ARG 126 Cb 0.00 -4.76 -0.05 0.00 0.52 0.00 0.00 34.95 30.65 1x0r s ARG 126 CO 0.00 -1.54 0.44 0.20 0.02 0.00 0.00 175.30 174.42 1x0r s GLY 127 N 2.55 2.09 -0.08 -3.53 0.00 -1.23 -0.62 107.32 106.50 1x0r s GLY 127 Ca 0.32 -0.57 -0.00 0.00 0.00 0.00 0.00 44.72 44.47 1x0r s GLY 127 CO -0.06 -0.48 -0.05 0.14 0.00 0.00 0.00 173.10 172.65 1x0r s VAL 128 N -1.80 0.72 -0.15 1.40 1.01 0.24 -0.96 120.40 120.85 1x0r s VAL 128 Ca 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 1x0r s VAL 128 Cb -0.12 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 1x0r s VAL 128 CO 0.26 0.30 -0.10 -0.36 0.00 0.00 0.00 175.10 175.19 1x0r s PHE 129 N 1.47 2.87 -0.31 5.22 0.40 0.89 -1.17 117.98 127.35 1x0r s PHE 129 Ca -0.01 -0.70 -0.10 0.00 -0.60 0.00 0.00 56.93 55.52 1x0r s PHE 129 Cb -0.13 -1.91 -0.01 0.00 0.51 0.00 0.00 43.02 41.47 1x0r s PHE 129 CO -0.04 -0.28 0.17 0.42 0.70 0.00 0.00 175.22 176.19 1x0r s ILE 130 N 0.61 4.79 -0.10 0.64 1.01 -0.26 -1.04 121.20 126.85 1x0r s ILE 130 Ca -0.06 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.30 1x0r s ILE 130 Cb -0.15 -3.43 -0.00 0.00 0.01 0.00 0.00 42.46 38.89 1x0r s ILE 130 CO 0.03 0.07 -0.23 -0.69 0.00 0.00 0.00 174.94 174.12 1x0r s VAL 131 N 1.65 2.14 0.87 2.92 1.01 -0.34 0.31 120.40 128.95 1x0r s VAL 131 Ca 0.05 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 60.91 1x0r s VAL 131 Cb -0.17 -1.82 0.20 0.00 0.00 0.00 0.00 36.38 34.59 1x0r s VAL 131 CO 0.07 0.56 1.19 -0.90 0.00 0.00 0.00 175.10 176.02 1x0r n ASP 132 N 3.53 0.26 0.04 3.32 5.68 0.26 -0.86 116.55 128.79 1x0r n ASP 132 Ca -0.19 -1.53 0.09 0.00 -0.50 0.00 0.00 54.79 52.66 1x0r n ASP 132 Cb 0.53 -0.89 0.38 0.00 -1.14 0.00 0.00 41.12 40.00 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 -3.67 1.72 0.88 2.12 0.00 -1.26 0.67 120.51 120.97 1x0r n ALA 133 Ca -0.19 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.34 1x0r n ALA 133 Cb 0.54 -1.30 0.30 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.73 2.00 -0.81 0.00 1.74 -1.26 -4.57 116.66 112.04 1x0r n ARG 134 Ca 0.03 -1.52 0.00 0.00 -0.77 0.00 0.00 57.85 55.60 1x0r n ARG 134 Cb 0.20 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 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 1.25 0.58 3.83 -0.13 0.00 0.21 -4.94 105.19 106.00 1x0r n GLY 135 Ca 0.17 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 5.35 0.12 1.61 1.01 -1.25 0.80 120.40 126.04 1x0r s VAL 136 Ca 0.00 0.42 -0.31 0.00 0.00 0.00 0.00 61.98 62.09 1x0r s VAL 136 Cb 0.00 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.79 1x0r s VAL 136 CO 0.00 0.56 1.28 -0.63 0.00 0.00 0.00 175.10 176.32 1x0r s ILE 137 N -0.72 3.58 -0.03 2.22 1.01 -0.38 -0.57 121.20 126.32 1x0r s ILE 137 Ca 0.17 1.18 0.03 0.00 0.00 0.00 0.00 60.65 62.03 1x0r s ILE 137 Cb -0.13 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1x0r s ILE 137 CO 0.06 0.12 0.03 0.54 0.00 0.00 0.00 174.94 175.68 1x0r n ARG 138 N 3.54 2.66 -1.44 2.79 5.12 0.15 -0.10 116.66 129.38 1x0r n ARG 138 Ca 0.09 -0.01 -0.01 0.00 -1.93 0.00 0.00 57.85 55.99 1x0r n ARG 138 Cb 0.44 -1.08 0.00 0.00 -1.16 0.00 0.00 32.46 30.66 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 -2.00 0.00 -3.62 0.55 -1.04 -1.21 -4.89 114.28 102.08 1x0r n THR 139 Ca -0.04 -0.10 -0.08 0.00 -2.04 0.00 0.00 64.05 61.79 1x0r n THR 139 Cb 0.48 0.08 -0.06 0.00 -1.82 0.00 0.00 70.33 69.01 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 -0.30 -0.25 -4.42 1.43 -0.32 -1.10 118.68 113.72 1x0r s LEU 141 Ca 0.02 0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 1x0r s LEU 141 Cb -0.00 1.64 0.07 0.00 0.03 0.00 0.00 46.19 47.92 1x0r s LEU 141 CO 0.01 -0.17 -0.05 -0.31 0.23 0.00 0.00 176.35 176.06 1x0r s TYR 142 N -0.36 2.64 0.26 0.29 1.51 -1.26 -0.60 117.35 119.84 1x0r s TYR 142 Ca 0.03 -1.97 0.02 0.00 -1.01 0.00 0.00 57.07 54.14 1x0r s TYR 142 Cb -0.03 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 1x0r s TYR 142 CO -0.06 -0.81 0.42 0.71 -1.11 0.00 0.00 175.55 174.70 1x0r s TYR 143 N 1.31 3.48 0.00 2.71 1.51 0.20 -4.94 117.35 121.62 1x0r s TYR 143 Ca -0.04 0.20 0.00 0.00 -1.01 0.00 0.00 57.07 56.21 1x0r s TYR 143 Cb -0.19 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 39.91 1x0r s TYR 143 CO -0.07 0.33 0.00 -0.35 -1.11 0.00 0.00 175.55 174.35 1x0r n PRO 144 N -1.29 0.00 0.00 -1.71 -0.04 -1.26 -0.58 135.00 130.12 1x0r n PRO 144 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1x0r n PRO 144 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 -3.76 0.54 0.00 -1.26 -4.53 120.64 111.63 1x0r n GLU 146 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 56.92 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 0.72 0.67 -1.84 0.20 -1.26 -5.11 118.68 112.06 1x0r s LEU 147 Ca 0.00 -0.29 -0.12 0.00 0.69 0.00 0.00 54.13 54.41 1x0r s LEU 147 Cb 0.00 -0.47 -0.00 0.00 -0.43 0.00 0.00 46.19 45.29 1x0r s LEU 147 CO 0.00 -0.23 1.06 -0.83 -0.29 0.00 0.00 176.35 176.06 1x0r s GLY 148 N 1.95 1.79 0.71 7.98 0.00 -1.26 -4.92 107.32 113.57 1x0r s GLY 148 Ca 0.03 0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.82 1x0r s GLY 148 CO -0.06 0.49 1.10 0.50 0.00 0.00 0.00 173.10 175.12 1x0r s ARG 149 N -4.78 2.80 -0.55 2.90 0.52 -1.26 -5.02 118.95 113.56 1x0r s ARG 149 Ca 0.60 0.48 -0.17 0.00 -0.52 0.00 0.00 55.73 56.12 1x0r s ARG 149 Cb -0.15 -2.01 0.12 0.00 0.52 0.00 0.00 34.95 33.43 1x0r s ARG 149 CO 0.50 -1.08 0.55 -1.17 0.02 0.00 0.00 175.30 174.12 1x0r s LEU 150 N -5.39 5.99 0.42 2.53 2.96 -1.26 -4.95 118.68 118.97 1x0r s LEU 150 Ca 0.58 -1.70 0.17 0.00 -0.22 0.00 0.00 54.13 52.97 1x0r s LEU 150 Cb -0.11 -2.23 0.92 0.00 0.50 0.00 0.00 46.19 45.26 1x0r s LEU 150 CO 0.52 -0.92 1.89 0.58 -1.32 0.00 0.00 176.35 177.10 1x0r h VAL 151 N 5.90 1.03 0.00 1.68 2.07 -1.95 -2.51 116.25 122.47 1x0r h VAL 151 Ca -0.30 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 1x0r h VAL 151 Cb 1.10 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1x0r h VAL 151 CO 1.05 0.28 -0.13 0.44 0.02 0.00 0.00 177.57 179.23 1x0r h ASP 152 N 0.00 0.00 -0.51 0.57 3.32 -1.92 -1.58 116.42 116.29 1x0r h ASP 152 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1x0r h ASP 152 Cb 0.57 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1x0r h ASP 152 CO 0.04 0.13 -0.10 -0.08 -1.72 0.00 0.00 179.24 177.52 1x0r h GLU 153 N 0.00 0.99 -0.55 3.56 4.57 -1.79 0.94 114.58 122.30 1x0r h GLU 153 Ca -0.00 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 57.80 1x0r h GLU 153 Cb 0.31 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1x0r h GLU 153 CO 0.02 1.03 0.23 0.82 -1.18 0.00 0.00 179.01 179.93 1x0r h ILE 154 N 0.89 1.19 -0.44 2.32 2.04 -1.35 0.44 117.51 122.61 1x0r h ILE 154 Ca 0.14 -0.58 -0.13 0.00 1.00 0.00 0.00 64.86 65.29 1x0r h ILE 154 Cb 0.65 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1x0r h ILE 154 CO 0.04 0.23 -0.24 -0.07 0.00 0.00 0.00 178.15 178.12 1x0r h LEU 155 N 0.77 0.97 -0.78 1.44 3.38 -1.06 -0.14 115.31 119.90 1x0r h LEU 155 Ca 0.19 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 1x0r h LEU 155 Cb 0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1x0r h LEU 155 CO -0.02 1.17 -0.12 -0.09 0.09 0.00 0.00 178.44 179.47 1x0r h ARG 156 N 0.77 0.81 -0.12 1.13 2.43 -0.12 -0.68 114.38 118.59 1x0r h ARG 156 Ca 0.09 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 1x0r h ARG 156 Cb 0.81 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1x0r h ARG 156 CO 0.07 0.89 0.03 0.82 -1.51 0.00 0.00 179.97 180.27 1x0r h ILE 157 N 0.73 1.19 -0.43 1.20 2.04 0.40 0.32 117.51 122.96 1x0r h ILE 157 Ca 0.12 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 1x0r h ILE 157 Cb 0.61 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1x0r h ILE 157 CO 0.04 0.17 0.19 -0.37 0.00 0.00 0.00 178.15 178.18 1x0r h VAL 158 N 0.00 1.19 -0.50 1.67 -1.51 -0.73 0.35 116.25 116.73 1x0r h VAL 158 Ca 0.04 -0.56 0.04 0.00 -1.23 0.00 0.00 66.70 64.98 1x0r h VAL 158 Cb 0.24 0.77 -0.04 0.00 -2.13 0.00 0.00 31.29 30.12 1x0r h VAL 158 CO -0.00 0.21 0.27 0.50 -1.23 0.00 0.00 177.57 177.32 1x0r h LYS 159 N 0.55 0.52 -0.43 5.19 1.63 -1.13 -0.02 116.57 122.89 1x0r h LYS 159 Ca 0.14 -0.03 -0.15 0.00 -0.85 0.00 0.00 60.65 59.76 1x0r h LYS 159 Cb 0.15 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1x0r h LYS 159 CO -0.02 0.35 -0.32 0.00 -3.45 0.00 0.00 179.45 176.01 1x0r h ALA 160 N 1.25 0.61 -0.76 5.00 0.00 -0.53 -0.50 119.26 124.34 1x0r h ALA 160 Ca 0.21 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1x0r h ALA 160 Cb 0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1x0r h ALA 160 CO -0.13 0.68 0.39 -0.07 0.00 0.00 0.00 179.25 180.12 1x0r h LEU 161 N 0.81 0.97 -0.52 0.00 4.07 -0.77 0.56 115.31 120.42 1x0r h LEU 161 Ca 0.08 -0.11 -0.07 0.00 0.08 0.00 0.00 57.88 57.85 1x0r h LEU 161 Cb 0.92 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.39 1x0r h LEU 161 CO 0.09 0.81 0.04 0.11 -1.08 0.00 0.00 178.44 178.40 1x0r h LYS 162 N 1.06 0.89 -0.06 1.13 1.57 -0.69 0.69 116.57 121.15 1x0r h LYS 162 Ca 0.26 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1x0r h LYS 162 Cb 0.07 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1x0r h LYS 162 CO -0.04 0.89 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.65 1x0r h LEU 163 N 0.77 0.12 -0.67 2.94 3.38 -0.86 -1.35 115.31 119.64 1x0r h LEU 163 Ca 0.15 -0.37 0.12 0.00 0.09 0.00 0.00 57.88 57.87 1x0r h LEU 163 Cb 0.47 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.09 1x0r h LEU 163 CO 0.02 0.46 0.23 1.23 0.09 0.00 0.00 178.44 180.47 1x0r h GLY 164 N -0.22 0.96 0.93 0.83 0.00 0.25 0.41 103.07 106.23 1x0r h GLY 164 Ca 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1x0r h GLY 164 CO 0.01 -0.09 0.08 -0.55 0.00 0.00 0.00 176.54 175.99 1x0r h ASP 165 N 0.38 0.61 1.14 0.19 3.32 -0.71 -0.02 116.42 121.33 1x0r h ASP 165 Ca 0.36 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 1x0r h ASP 165 Cb 0.52 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1x0r h ASP 165 CO -0.38 0.70 -0.59 0.77 -1.72 0.00 0.00 179.24 178.02 1x0r h SER 166 N 0.50 0.00 -0.34 6.45 4.64 -0.97 -3.14 113.55 120.69 1x0r h SER 166 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1x0r h SER 166 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1x0r h SER 166 CO 0.00 0.59 0.00 0.18 -0.87 0.00 0.00 176.83 176.73 1x0r n LEU 167 N -3.38 3.42 -3.56 5.97 4.32 0.14 -4.95 117.00 118.96 1x0r n LEU 167 Ca 0.01 -1.42 -0.21 0.00 -0.02 0.00 0.00 56.01 54.36 1x0r n LEU 167 Cb 0.71 -0.21 0.05 0.00 -1.62 0.00 0.00 43.42 42.35 1x0r n LEU 167 CO 0.41 0.71 -0.02 0.29 -1.22 0.00 0.00 177.39 177.56 1x0r n LYS 168 N 1.49 -4.03 -4.08 3.23 5.02 -0.13 -5.04 118.16 114.62 1x0r n LYS 168 Ca 0.19 0.68 -0.09 0.00 -2.02 0.00 0.00 58.31 57.06 1x0r n LYS 168 Cb 0.61 -5.24 -0.10 0.00 -0.02 0.00 0.00 35.03 30.28 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 -5.56 0.59 0.18 1.97 1.81 -0.54 -4.55 118.95 112.86 1x0r s ARG 169 Ca 0.17 -1.05 0.01 0.00 -1.72 0.00 0.00 55.73 53.14 1x0r s ARG 169 Cb -0.04 0.00 -0.04 0.00 -0.45 0.00 0.00 34.95 34.43 1x0r s ARG 169 CO 0.79 -0.05 0.34 0.00 -0.68 0.00 0.00 175.30 175.71 1x0r s ALA 170 N -2.95 3.90 -0.19 2.13 0.00 0.54 -4.37 121.76 120.81 1x0r s ALA 170 Ca 0.01 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 1x0r s ALA 170 Cb 0.01 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.23 1x0r s ALA 170 CO -0.05 0.46 -0.06 0.08 0.00 0.00 0.00 175.76 176.19 1x0r s VAL 171 N -1.82 3.38 0.91 0.00 1.01 -1.26 -0.41 120.40 122.20 1x0r s VAL 171 Ca 0.36 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 1x0r s VAL 171 Cb -0.11 -2.50 0.14 0.00 0.00 0.00 0.00 36.38 33.91 1x0r s VAL 171 CO 0.29 0.45 1.11 -2.16 0.00 0.00 0.00 175.10 174.79 1x0r s PRO 172 N 1.09 1.10 0.32 2.72 0.04 -1.26 -4.94 135.00 134.07 1x0r s PRO 172 Ca 0.01 1.23 -0.28 0.00 0.04 0.00 0.00 61.00 62.00 1x0r s PRO 172 Cb -0.15 -1.76 -0.13 0.00 0.04 0.00 0.00 34.50 32.51 1x0r s PRO 172 CO -0.01 -2.47 1.24 0.00 0.04 0.00 0.00 177.00 175.80 1x0r n ALA 173 N -4.09 0.93 -3.61 8.56 0.00 -1.26 -2.77 120.51 118.26 1x0r n ALA 173 Ca 0.09 0.37 -0.19 0.00 0.00 0.00 0.00 53.44 53.71 1x0r n ALA 173 Cb 0.53 -2.20 -0.06 0.00 0.00 0.00 0.00 19.45 17.72 1x0r n ALA 173 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1x0r n ASP 174 N 0.99 0.49 -4.78 0.00 5.75 -1.26 -4.06 116.55 113.68 1x0r n ASP 174 Ca 0.06 -0.77 -0.36 0.00 -0.01 0.00 0.00 54.79 53.71 1x0r n ASP 174 Cb 0.35 -0.96 -0.03 0.00 -1.03 0.00 0.00 41.12 39.44 1x0r n ASP 174 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1x0r s TRP 175 N -3.85 3.16 -2.00 2.11 -0.00 -1.12 0.22 118.94 117.47 1x0r s TRP 175 Ca 0.01 1.61 0.12 0.00 -0.00 0.00 0.00 56.10 57.85 1x0r s TRP 175 Cb -0.00 -3.16 0.74 0.00 -0.00 0.00 0.00 33.47 31.04 1x0r s TRP 175 CO 0.60 -0.81 1.25 -0.35 -0.00 0.00 0.00 176.95 177.64 1x0r n PRO 176 N -0.27 0.69 -2.18 5.86 -0.05 -1.26 -4.89 135.00 132.90 1x0r n PRO 176 Ca 0.06 0.00 -0.23 0.00 -0.05 0.00 0.00 63.50 63.28 1x0r n PRO 176 Cb 0.50 -1.28 0.02 0.00 -0.05 0.00 0.00 33.50 32.68 1x0r n PRO 176 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 1x0r n ASN 177 N -0.78 4.67 -4.77 3.54 3.02 0.13 -3.08 115.26 117.99 1x0r n ASN 177 Ca 0.09 -3.64 -0.39 0.00 -0.03 0.00 0.00 54.58 50.61 1x0r n ASN 177 Cb 0.04 -0.38 -0.01 0.00 -0.61 0.00 0.00 39.78 38.82 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 -3.59 6.49 0.41 6.41 3.84 -0.05 -4.83 114.94 123.62 1x0r s ASN 178 Ca 0.49 2.54 0.27 0.00 0.21 0.00 0.00 52.86 56.37 1x0r s ASN 178 Cb 0.40 -2.63 0.82 0.00 -0.55 0.00 0.00 41.25 39.29 1x0r s ASN 178 CO -0.02 -0.71 1.77 -0.33 -2.79 0.00 0.00 177.10 175.02 1x0r h GLU 179 N 2.83 0.00 0.04 0.43 5.08 -1.87 0.26 114.58 121.34 1x0r h GLU 179 Ca -0.49 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.55 1x0r h GLU 179 Cb 1.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 1x0r h GLU 179 CO 0.63 0.00 -1.77 -0.89 -1.00 0.00 0.00 179.01 175.98 1x0r n ILE 180 N -2.84 1.62 -0.14 3.13 5.41 -1.26 -4.68 119.36 120.59 1x0r n ILE 180 Ca 0.03 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.45 1x0r n ILE 180 Cb 0.41 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.46 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 -4.00 0.70 0.00 1.39 -5.35 -1.24 -5.10 119.36 105.76 1x0r n ILE 181 Ca -0.36 -0.78 0.00 0.00 -0.27 0.00 0.00 62.75 61.34 1x0r n ILE 181 Cb 0.86 0.68 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 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 -0.35 3.48 1.08 3.28 0.00 0.90 -1.59 105.19 111.99 1x0r n GLY 182 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 12.42 2.41 -1.39 1.61 0.28 -1.18 -0.87 120.64 133.92 1x0r n GLU 183 Ca 0.00 -2.07 -0.35 0.00 -0.16 0.00 0.00 57.16 54.57 1x0r n GLU 183 Cb 0.00 -1.48 0.10 0.00 1.43 0.00 0.00 31.44 31.49 1x0r n GLU 183 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x0r n GLY 184 N 1.36 0.23 3.15 -1.84 0.00 -0.62 -4.80 105.19 102.67 1x0r n GLY 184 Ca 0.19 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1x0r n GLY 184 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x0r s LEU 185 N -4.96 2.07 -0.02 0.99 1.43 0.13 -4.56 118.68 113.77 1x0r s LEU 185 Ca 0.78 -0.35 -0.18 0.00 -1.03 0.00 0.00 54.13 53.35 1x0r s LEU 185 Cb -0.33 -0.78 -0.05 0.00 0.03 0.00 0.00 46.19 45.05 1x0r s LEU 185 CO 0.46 0.16 0.51 -0.63 0.23 0.00 0.00 176.35 177.07 1x0r s ILE 186 N -0.51 4.98 0.01 -0.59 1.01 0.45 -0.97 121.20 125.57 1x0r s ILE 186 Ca 0.05 1.05 -0.30 0.00 0.00 0.00 0.00 60.65 61.45 1x0r s ILE 186 Cb -0.07 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1x0r s ILE 186 CO 0.00 0.47 0.98 -0.69 0.00 0.00 0.00 174.94 175.70 1x0r s VAL 187 N -0.43 4.84 0.01 2.92 1.01 -0.27 -0.34 120.40 128.14 1x0r s VAL 187 Ca 0.27 2.05 -0.36 0.00 0.00 0.00 0.00 61.98 63.95 1x0r s VAL 187 Cb -0.17 -4.32 -0.14 0.00 0.00 0.00 0.00 36.38 31.75 1x0r s VAL 187 CO 0.15 0.17 1.63 -2.65 0.00 0.00 0.00 175.10 174.39 1x0r n PRO 188 N 3.84 1.74 -1.63 2.72 -0.02 -1.26 -4.63 135.00 135.76 1x0r n PRO 188 Ca 0.06 0.63 -0.40 0.00 -2.02 0.00 0.00 63.50 61.77 1x0r n PRO 188 Cb 0.51 -2.38 0.03 0.00 -0.02 0.00 0.00 33.50 31.64 1x0r n PRO 188 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1x0r n PRO 189 N 4.35 1.27 -1.81 0.52 -0.04 -1.26 -4.94 135.00 133.09 1x0r n PRO 189 Ca 0.20 0.47 -0.37 0.00 -0.04 0.00 0.00 63.50 63.76 1x0r n PRO 189 Cb 0.24 -2.15 0.06 0.00 -0.04 0.00 0.00 33.50 31.60 1x0r n PRO 189 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1x0r s PRO 190 N -2.34 2.74 -0.02 0.54 0.02 -1.26 -4.93 135.00 129.74 1x0r s PRO 190 Ca 0.68 2.05 0.04 0.00 0.02 0.00 0.00 61.00 63.79 1x0r s PRO 190 Cb -0.49 -1.94 0.09 0.00 0.02 0.00 0.00 34.50 32.18 1x0r s PRO 190 CO 0.53 -1.45 1.06 0.25 -0.33 0.00 0.00 177.00 177.07 1x0r n THR 191 N -1.68 1.15 -3.90 0.99 -2.24 -1.26 -4.89 114.28 102.45 1x0r n THR 191 Ca 0.14 -1.20 -0.09 0.00 -2.27 0.00 0.00 64.05 60.63 1x0r n THR 191 Cb 0.48 0.38 -0.08 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.30 0.14 0.19 4.28 -4.23 -1.26 -5.04 115.64 108.41 1x0r s THR 192 Ca 0.08 -1.11 -0.12 0.00 -1.18 0.00 0.00 61.69 59.36 1x0r s THR 192 Cb 0.06 -1.08 0.11 0.00 1.34 0.00 0.00 72.50 72.93 1x0r s THR 192 CO 0.02 -0.61 1.83 -0.33 -0.54 0.00 0.00 174.62 174.99 1x0r h GLU 193 N 3.30 0.73 -0.77 3.99 5.08 -1.99 -0.54 114.58 124.37 1x0r h GLU 193 Ca -0.33 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 57.94 1x0r h GLU 193 Cb 1.19 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 1x0r h GLU 193 CO 0.53 0.48 0.31 -0.44 -1.00 0.00 0.00 179.01 178.89 1x0r h ASP 194 N 0.75 1.05 -0.06 1.42 3.45 -1.99 -1.93 116.42 119.12 1x0r h ASP 194 Ca 0.25 -0.16 -0.10 0.00 0.43 0.00 0.00 57.03 57.45 1x0r h ASP 194 Cb 0.01 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.50 1x0r h ASP 194 CO -0.10 0.92 -0.26 -0.61 -1.57 0.00 0.00 179.24 177.63 1x0r h GLN 195 N 1.11 0.49 -0.17 3.56 4.15 -1.90 -1.34 115.11 121.01 1x0r h GLN 195 Ca 0.26 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 1x0r h GLN 195 Cb 0.20 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 1x0r h GLN 195 CO -0.02 0.71 0.07 0.00 -1.93 0.00 0.00 178.83 177.66 1x0r h ALA 196 N 1.29 0.22 -0.74 3.38 0.00 -0.74 -1.55 119.26 121.12 1x0r h ALA 196 Ca 0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1x0r h ALA 196 Cb 0.68 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1x0r h ALA 196 CO 0.05 -0.21 0.28 -0.09 0.00 0.00 0.00 179.25 179.29 1x0r h ARG 197 N 0.13 1.11 -0.26 0.00 2.43 -1.26 -2.75 114.38 113.78 1x0r h ARG 197 Ca 0.06 -0.20 -0.09 0.00 -0.81 0.00 0.00 59.98 58.93 1x0r h ARG 197 Cb 0.15 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1x0r h ARG 197 CO -0.01 0.91 -0.23 0.00 -1.51 0.00 0.00 179.97 179.13 1x0r h ALA 198 N 1.22 1.12 0.00 2.80 0.00 -1.06 -2.91 119.26 120.42 1x0r h ALA 198 Ca 0.25 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1x0r h ALA 198 Cb 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1x0r h ALA 198 CO -0.02 0.55 0.00 0.54 0.00 0.00 0.00 179.25 180.32 1x0r n ARG 199 N -4.13 0.06 0.00 0.00 5.12 -0.60 -0.25 116.66 116.86 1x0r n ARG 199 Ca -0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1x0r n ARG 199 Cb 0.39 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 1x0r n ARG 199 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1x0r n GLU 201 N 0.90 0.00 0.15 5.56 1.02 -1.10 -3.48 120.64 123.68 1x0r n GLU 201 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 1x0r n GLU 201 Cb 0.03 0.00 0.51 0.00 -0.02 0.00 0.00 31.44 31.96 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 0.19 -0.94 1.62 4.64 -0.91 -3.45 113.55 114.71 1x0r h SER 202 Ca 0.00 -0.02 -0.25 0.00 -0.47 0.00 0.00 61.79 61.05 1x0r h SER 202 Cb 0.00 -0.05 -0.10 0.00 -0.31 0.00 0.00 62.40 61.94 1x0r h SER 202 CO 0.00 0.21 -0.23 0.61 -0.87 0.00 0.00 176.83 176.55 1x0r n GLY 203 N -1.32 1.18 0.17 -0.77 0.00 -1.23 -4.85 105.19 98.38 1x0r n GLY 203 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1x0r n GLY 203 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1x0r h GLN 204 N 0.00 0.00 -5.51 1.61 5.75 -1.88 -3.47 115.11 111.61 1x0r h GLN 204 Ca -0.25 0.00 -0.45 0.00 -0.15 0.00 0.00 58.65 57.79 1x0r h GLN 204 Cb 0.99 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.40 1x0r h GLN 204 CO 0.37 0.00 -0.71 0.71 -2.65 0.00 0.00 178.83 176.55 1x0r s TYR 205 N -3.31 1.75 0.61 3.99 1.51 -1.26 -5.03 117.35 115.61 1x0r s TYR 205 Ca 0.06 -0.63 -0.14 0.00 -1.01 0.00 0.00 57.07 55.35 1x0r s TYR 205 Cb 0.09 -0.88 -0.03 0.00 -0.11 0.00 0.00 41.96 41.03 1x0r s TYR 205 CO 0.54 0.31 1.04 1.03 -1.11 0.00 0.00 175.55 177.36 1x0r s ARG 206 N -3.68 3.36 -0.24 -0.62 0.52 -0.88 -4.84 118.95 112.56 1x0r s ARG 206 Ca 0.24 1.02 -0.26 0.00 -0.52 0.00 0.00 55.73 56.22 1x0r s ARG 206 Cb 0.01 -2.04 0.07 0.00 0.52 0.00 0.00 34.95 33.51 1x0r s ARG 206 CO 0.08 -0.77 0.74 0.45 0.02 0.00 0.00 175.30 175.82 1x0r s SER 207 N -3.32 -0.72 -0.07 0.23 0.15 -1.26 -0.75 113.70 107.96 1x0r s SER 207 Ca 0.60 1.32 0.11 0.00 0.70 0.00 0.00 55.95 58.68 1x0r s SER 207 Cb -0.14 1.31 -0.16 0.00 -1.71 0.00 0.00 66.02 65.33 1x0r s SER 207 CO 0.43 -0.29 0.14 0.18 1.20 0.00 0.00 173.24 174.90 1x0r n LEU 208 N 2.43 0.00 -3.84 3.45 4.32 -0.41 -5.01 117.00 117.94 1x0r n LEU 208 Ca -0.14 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.80 1x0r n LEU 208 Cb 0.55 0.16 0.01 0.00 -1.62 0.00 0.00 43.42 42.53 1x0r n LEU 208 CO 0.06 0.16 0.72 -0.62 -1.22 0.00 0.00 177.39 176.49 1x0r s ASP 209 N -4.00 -0.04 0.46 -1.43 2.15 -1.21 -4.96 116.67 107.65 1x0r s ASP 209 Ca -0.05 -0.74 0.22 0.00 0.43 0.00 0.00 52.55 52.41 1x0r s ASP 209 Cb 0.05 0.59 1.13 0.00 -0.30 0.00 0.00 42.92 44.39 1x0r s ASP 209 CO 0.49 -1.15 1.96 4.11 -0.17 0.00 0.00 175.17 180.40 1x0r h TRP 210 N 2.00 0.00 -0.10 -5.34 5.08 -1.96 -1.21 115.95 114.42 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 1.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.39 1x0r h TRP 210 CO 1.15 0.21 0.00 -2.67 -1.28 0.00 0.00 178.44 175.85 1x0r n TRP 211 N -3.77 0.11 -3.56 0.12 4.27 -1.26 -4.43 117.44 108.93 1x0r n TRP 211 Ca -0.02 -0.06 -0.27 0.00 -3.89 0.00 0.00 57.50 53.27 1x0r n TRP 211 Cb 0.32 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.17 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 0.45 1.43 -4.40 -2.67 -0.00 -0.46 -4.55 117.46 107.27 1x0r n PHE 212 Ca 0.17 -3.85 -0.27 0.00 -0.00 0.00 0.00 57.45 53.50 1x0r n PHE 212 Cb 0.39 -0.28 -0.12 0.00 -0.00 0.00 0.00 39.48 39.47 1x0r n PHE 212 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1x0r s TRP 214 N -1.61 0.09 0.37 0.00 -2.14 0.07 -1.12 118.94 114.60 1x0r s TRP 214 Ca 0.21 -0.47 0.04 0.00 2.66 0.00 0.00 56.10 58.53 1x0r s TRP 214 Cb -0.08 0.39 -0.05 0.00 -3.10 0.00 0.00 33.47 30.62 1x0r s TRP 214 CO 0.10 -1.04 0.07 -0.51 -2.66 0.00 0.00 176.95 172.91 1x0r s ASP 215 N -2.95 2.72 -0.44 -2.66 1.01 -0.14 -2.08 116.67 112.13 1x0r s ASP 215 Ca 0.16 -1.48 0.09 0.00 0.71 0.00 0.00 52.55 52.03 1x0r s ASP 215 Cb -0.02 0.10 0.30 0.00 1.01 0.00 0.00 42.92 44.30 1x0r s ASP 215 CO 0.05 -0.70 0.68 0.35 0.21 0.00 0.00 175.17 175.76 1x0r n THR 216 N -0.81 0.35 1.24 -1.27 -2.24 -1.26 -0.69 114.28 109.61 1x0r n THR 216 Ca -0.05 -4.57 0.13 0.00 -2.27 0.00 0.00 64.05 57.29 1x0r n THR 216 Cb 0.66 -1.28 0.45 0.00 -2.10 0.00 0.00 70.33 68.06 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 0.72 0.60 -2.77 -0.78 -0.04 -1.26 -4.90 135.00 126.56 1x0r n PRO 217 Ca 0.25 -0.29 -0.35 0.00 -0.04 0.00 0.00 63.50 63.07 1x0r n PRO 217 Cb 0.55 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.60 3.10 0.76 0.55 0.00 -1.26 -5.01 121.76 117.30 1x0r s ALA 218 Ca 0.23 0.48 -0.11 0.00 0.00 0.00 0.00 51.96 52.55 1x0r s ALA 218 Cb 0.19 -3.18 0.05 0.00 0.00 0.00 0.00 23.12 20.19 1x0r s ALA 218 CO 0.53 0.10 1.09 -1.54 0.00 0.00 0.00 175.76 175.95 1x0r s SER 219 N -1.92 4.80 0.23 0.00 1.04 -1.26 -4.84 113.70 111.76 1x0r s SER 219 Ca 0.58 1.33 -0.07 0.00 0.48 0.00 0.00 55.95 58.27 1x0r s SER 219 Cb -0.14 -2.10 0.22 0.00 0.10 0.00 0.00 66.02 64.10 1x0r s SER 219 CO 0.18 -1.77 1.85 0.03 0.98 0.00 0.00 173.24 174.51 1x0r h ARG 220 N -0.95 1.25 -1.00 4.02 2.47 -1.98 -1.61 114.38 116.57 1x0r h ARG 220 Ca -0.46 -0.15 0.04 0.00 -1.26 0.00 0.00 59.98 58.14 1x0r h ARG 220 Cb 1.26 -0.24 -0.06 0.00 -1.65 0.00 0.00 29.97 29.28 1x0r h ARG 220 CO 0.60 0.92 0.66 -0.44 0.56 0.00 0.00 179.97 182.26 1x0r h ASP 221 N 1.25 1.10 -0.11 7.04 3.32 -1.98 0.18 116.42 127.21 1x0r h ASP 221 Ca 0.31 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 1x0r h ASP 221 Cb 0.04 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 1x0r h ASP 221 CO -0.05 0.75 -0.02 0.44 -1.72 0.00 0.00 179.24 178.64 1x0r h ASP 222 N 1.27 0.21 -0.36 6.45 3.32 -1.67 -1.02 116.42 124.63 1x0r h ASP 222 Ca 0.40 -0.36 0.02 0.00 0.02 0.00 0.00 57.03 57.11 1x0r h ASP 222 Cb -0.00 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1x0r h ASP 222 CO -0.12 0.52 0.20 0.58 -1.72 0.00 0.00 179.24 178.70 1x0r h VAL 223 N -0.10 1.01 -0.43 -1.35 2.07 -1.25 -1.99 116.25 114.21 1x0r h VAL 223 Ca 0.03 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1x0r h VAL 223 Cb 0.43 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1x0r h VAL 223 CO 0.01 0.07 0.02 -0.33 0.02 0.00 0.00 177.57 177.36 1x0r h GLU 224 N 0.41 0.75 -0.82 1.57 5.08 -0.65 -0.40 114.58 120.52 1x0r h GLU 224 Ca 0.15 -0.23 0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1x0r h GLU 224 Cb 0.03 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 1x0r h GLU 224 CO -0.08 0.81 0.53 1.49 -1.00 0.00 0.00 179.01 180.76 1x0r h GLU 225 N 0.60 0.77 -0.32 2.33 4.81 -0.74 0.72 114.58 122.76 1x0r h GLU 225 Ca 0.13 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.13 1x0r h GLU 225 Cb 0.46 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1x0r h GLU 225 CO 0.02 0.51 -0.48 0.00 -0.73 0.00 0.00 179.01 178.33 1x0r h ALA 226 N 1.58 0.49 -0.11 2.92 0.00 -1.14 -1.79 119.26 121.21 1x0r h ALA 226 Ca 0.37 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1x0r h ALA 226 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1x0r h ALA 226 CO -0.14 0.66 -0.33 -0.09 0.00 0.00 0.00 179.25 179.35 1x0r h ARG 227 N 0.69 0.22 -0.76 0.00 2.43 -0.59 -2.15 114.38 114.23 1x0r h ARG 227 Ca 0.03 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1x0r h ARG 227 Cb 1.09 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 1x0r h ARG 227 CO 0.11 0.54 0.27 0.00 -1.51 0.00 0.00 179.97 179.37 1x0r h ARG 228 N 0.20 1.16 -0.61 0.20 3.08 -0.54 0.19 114.38 118.06 1x0r h ARG 228 Ca 0.03 -0.23 0.03 0.00 0.07 0.00 0.00 59.98 59.87 1x0r h ARG 228 Cb 0.69 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 1x0r h ARG 228 CO 0.05 0.96 0.37 1.88 -1.07 0.00 0.00 179.97 182.16 1x0r h TYR 229 N 1.11 0.69 -0.65 3.04 0.99 -0.66 -0.53 116.97 120.96 1x0r h TYR 229 Ca 0.25 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.92 1x0r h TYR 229 Cb 0.27 -0.22 -0.03 0.00 1.00 0.00 0.00 36.73 37.75 1x0r h TYR 229 CO 0.02 0.39 0.08 -0.07 -0.00 0.00 0.00 178.16 178.58 1x0r h LEU 230 N 0.72 1.05 -0.41 3.88 3.38 -1.21 -1.66 115.31 121.07 1x0r h LEU 230 Ca 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1x0r h LEU 230 Cb 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1x0r h LEU 230 CO -0.11 1.06 0.23 0.03 0.09 0.00 0.00 178.44 179.74 1x0r h ARG 231 N 1.02 0.57 -0.69 1.13 3.08 -0.44 -0.37 114.38 118.68 1x0r h ARG 231 Ca 0.20 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1x0r h ARG 231 Cb 0.47 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1x0r h ARG 231 CO 0.02 0.46 0.43 -0.09 -1.07 0.00 0.00 179.97 179.71 1x0r h ARG 232 N 0.53 0.92 -0.97 0.04 2.43 -0.93 -1.25 114.38 115.15 1x0r h ARG 232 Ca 0.14 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.32 1x0r h ARG 232 Cb 0.05 -0.20 -0.07 0.00 -0.42 0.00 0.00 29.97 29.33 1x0r h ARG 232 CO -0.02 0.64 0.61 0.00 -1.51 0.00 0.00 179.97 179.69 1x0r h ALA 233 N 1.23 1.38 0.00 2.80 0.00 -0.57 -2.82 119.26 121.27 1x0r h ALA 233 Ca 0.25 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1x0r h ALA 233 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1x0r h ALA 233 CO -0.05 0.34 -0.29 0.00 0.00 0.00 0.00 179.25 179.25 1x0r h ALA 234 N 1.47 0.85 -2.32 0.00 0.00 -0.69 -3.44 119.26 115.12 1x0r h ALA 234 Ca 0.44 -0.27 -0.55 0.00 0.00 0.00 0.00 54.91 54.53 1x0r h ALA 234 Cb 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1x0r h ALA 234 CO -0.20 0.36 0.54 -2.00 0.00 0.00 0.00 179.25 177.96 1x0r s GLU 235 N -3.21 4.44 0.10 0.00 2.12 -0.51 -5.02 118.70 116.64 1x0r s GLU 235 Ca 0.04 1.48 -0.30 0.00 0.36 0.00 0.00 54.97 56.54 1x0r s GLU 235 Cb 0.08 -3.51 -0.07 0.00 0.26 0.00 0.00 34.13 30.89 1x0r s GLU 235 CO 0.69 -0.27 1.21 0.21 -0.54 0.00 0.00 175.26 176.56 1x0r s LYS 236 N 1.75 4.44 0.39 4.30 2.20 -1.26 -4.95 119.74 126.62 1x0r s LYS 236 Ca 0.51 1.83 -0.26 0.00 -0.36 0.00 0.00 55.97 57.69 1x0r s LYS 236 Cb -0.21 -3.31 -0.09 0.00 -1.51 0.00 0.00 37.83 32.72 1x0r s LYS 236 CO 0.22 -0.22 1.28 -1.25 -0.36 0.00 0.00 175.35 175.02 1x0r s PRO 237 N 0.66 4.04 0.33 4.03 0.04 -1.26 -4.89 135.00 137.94 1x0r s PRO 237 Ca 0.57 2.11 0.09 0.00 0.04 0.00 0.00 61.00 63.81 1x0r s PRO 237 Cb -0.31 -2.79 0.57 0.00 0.04 0.00 0.00 34.50 32.01 1x0r s PRO 237 CO 0.31 -0.42 1.77 0.00 0.04 0.00 0.00 177.00 178.71 1x0r h ALA 238 N 2.78 1.24 -3.78 8.56 0.00 -2.05 -3.43 119.26 122.58 1x0r h ALA 238 Ca -0.49 -0.36 -0.31 0.00 0.00 0.00 0.00 54.91 53.74 1x0r h ALA 238 Cb 1.24 -0.08 -0.29 0.00 0.00 0.00 0.00 17.79 18.65 1x0r h ALA 238 CO 0.63 0.52 -0.75 0.21 0.00 0.00 0.00 179.25 179.87 1x0r s LYS 239 N -4.24 0.33 0.01 0.00 2.20 -1.26 -5.12 119.74 111.65 1x0r s LYS 239 Ca -0.04 -0.10 -0.09 0.00 -0.36 0.00 0.00 55.97 55.38 1x0r s LYS 239 Cb 0.14 -0.35 -0.05 0.00 -1.51 0.00 0.00 37.83 36.06 1x0r s LYS 239 CO 0.75 0.04 0.32 -0.51 -0.36 0.00 0.00 175.35 175.59 1x0r s LEU 240 N 0.13 4.39 0.57 5.43 1.43 -1.26 -4.98 118.68 124.39 1x0r s LEU 240 Ca -0.01 0.70 0.29 0.00 -1.03 0.00 0.00 54.13 54.08 1x0r s LEU 240 Cb -0.04 -2.65 1.71 0.00 0.03 0.00 0.00 46.19 45.24 1x0r s LEU 240 CO -0.00 0.27 2.20 -0.07 0.23 0.00 0.00 176.35 178.98 1x0r h LEU 241 N 4.21 0.00 -1.55 1.79 3.38 -2.00 -1.65 115.31 119.48 1x0r h LEU 241 Ca -0.51 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 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 0.04 -0.19 0.10 0.09 0.00 0.00 178.44 179.12 1x0r h TYR 242 N 0.00 0.00 0.43 1.13 -0.00 -1.95 -2.50 116.97 114.08 1x0r h TYR 242 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.72 1x0r h TYR 242 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.82 1x0r h TYR 242 CO 0.00 0.19 -0.35 0.93 -0.00 0.00 0.00 178.16 178.93 1x0r h GLU 243 N 0.00 -0.75 -0.00 0.10 5.08 -1.70 -0.88 114.58 116.43 1x0r h GLU 243 Ca -0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1x0r h GLU 243 Cb 0.52 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1x0r h GLU 243 CO 0.02 -0.50 -0.01 -1.91 -1.00 0.00 0.00 179.01 175.61 1x0r n GLU 244 N -5.47 0.95 0.00 2.33 0.00 -1.21 -5.11 120.64 112.13 1x0r n GLU 244 Ca -0.11 -0.15 0.15 0.00 0.00 0.00 0.00 57.16 57.05 1x0r n GLU 244 Cb 0.37 -1.50 0.72 0.00 0.00 0.00 0.00 31.44 31.03 1x0r n GLU 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13