#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oii s GLU 14 N 0.00 3.20 0.76 1.96 -1.05 -1.26 -4.91 118.70 117.40 1oii s GLU 14 Ca 0.00 -0.73 -0.11 0.00 -0.15 0.00 0.00 54.97 53.98 1oii s GLU 14 Cb 0.00 -2.77 0.05 0.00 -0.44 0.00 0.00 34.13 30.97 1oii s GLU 14 CO 0.00 -0.15 1.09 -0.51 0.95 0.00 0.00 175.26 176.63 1oii s LEU 15 N 1.26 2.78 -0.89 1.83 1.43 -1.26 -4.98 118.68 118.85 1oii s LEU 15 Ca 0.03 1.36 -0.21 0.00 -1.03 0.00 0.00 54.13 54.27 1oii s LEU 15 Cb -0.14 -4.07 0.09 0.00 0.03 0.00 0.00 46.19 42.10 1oii s LEU 15 CO -0.06 -1.74 1.21 -0.62 0.23 0.00 0.00 176.35 175.37 1oii s ASP 16 N -3.95 6.46 -0.16 2.29 2.15 -1.26 -4.99 116.67 117.22 1oii s ASP 16 Ca 0.60 -1.52 -0.04 0.00 0.43 0.00 0.00 52.55 52.02 1oii s ASP 16 Cb -0.14 -2.47 -0.03 0.00 -0.30 0.00 0.00 42.92 39.99 1oii s ASP 16 CO 0.54 -1.34 -0.03 -0.69 -0.17 0.00 0.00 175.17 173.48 1oii s VAL 17 N 3.91 3.91 -0.37 1.11 1.01 -1.26 -1.10 120.40 127.62 1oii s VAL 17 Ca 0.35 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1oii s VAL 17 Cb -0.06 -2.72 0.11 0.00 0.00 0.00 0.00 36.38 33.72 1oii s VAL 17 CO -0.04 0.49 0.13 -1.00 0.00 0.00 0.00 175.10 174.69 1oii s HIS 18 N 0.37 2.39 0.26 5.22 3.76 0.95 -4.97 115.29 123.26 1oii s HIS 18 Ca -0.04 -2.33 -0.30 0.00 -0.15 0.00 0.00 55.06 52.24 1oii s HIS 18 Cb -0.14 -2.14 -0.14 0.00 1.11 0.00 0.00 32.58 31.27 1oii s HIS 18 CO 0.03 -0.86 1.19 -2.30 -0.85 0.00 0.00 174.74 171.95 1oii n PRO 19 N 4.24 1.60 -0.06 8.40 -0.02 -1.26 -0.94 135.00 146.96 1oii n PRO 19 Ca 0.03 0.56 -0.04 0.00 -2.02 0.00 0.00 63.50 62.03 1oii n PRO 19 Cb 0.39 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 1oii n PRO 19 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1oii n VAL 20 N 0.99 1.24 -3.67 -1.45 0.31 -0.14 -4.83 118.33 110.78 1oii n VAL 20 Ca 0.11 0.25 -0.22 0.00 -0.01 0.00 0.00 64.34 64.47 1oii n VAL 20 Cb 0.31 -2.28 -0.03 0.00 -0.91 0.00 0.00 33.84 30.93 1oii n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1oii s ALA 21 N -2.78 4.09 0.30 3.52 0.00 -1.04 -5.04 121.76 120.82 1oii s ALA 21 Ca -0.14 -1.82 0.13 0.00 0.00 0.00 0.00 51.96 50.14 1oii s ALA 21 Cb 0.02 -0.90 0.61 0.00 0.00 0.00 0.00 23.12 22.84 1oii s ALA 21 CO 0.20 -0.28 1.74 0.78 0.00 0.00 0.00 175.76 178.20 1oii h GLY 22 N 1.00 0.00 0.00 0.00 0.00 -1.89 -3.33 103.07 98.85 1oii h GLY 22 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1oii h GLY 22 CO 0.58 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.66 1oii n ARG 23 N -3.87 -0.73 -3.59 4.80 1.74 -1.26 -5.05 116.66 108.70 1oii n ARG 23 Ca -0.01 -0.48 -0.12 0.00 -0.77 0.00 0.00 57.85 56.47 1oii n ARG 23 Cb 0.50 -0.94 -0.06 0.00 -1.02 0.00 0.00 32.46 30.94 1oii n ARG 23 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1oii s ILE 24 N -0.04 0.00 0.00 0.55 2.07 -1.25 -4.91 121.20 117.62 1oii s ILE 24 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1oii s ILE 24 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1oii s ILE 24 CO 0.00 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 1oii n GLY 25 N 1.41 2.00 3.08 1.50 0.00 -0.09 -2.50 105.19 110.60 1oii n GLY 25 Ca -0.13 -1.36 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 1oii n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oii s ALA 26 N 0.00 -0.51 -0.10 4.61 0.00 -0.61 -0.96 121.76 124.18 1oii s ALA 26 Ca 0.00 0.62 -0.19 0.00 0.00 0.00 0.00 51.96 52.40 1oii s ALA 26 Cb 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1oii s ALA 26 CO 0.00 -0.11 0.50 -2.00 0.00 0.00 0.00 175.76 174.16 1oii s GLU 27 N 0.23 4.33 -0.21 0.00 2.12 -0.11 -0.40 118.70 124.66 1oii s GLU 27 Ca -0.01 0.51 -0.06 0.00 0.36 0.00 0.00 54.97 55.77 1oii s GLU 27 Cb -0.02 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.92 1oii s GLU 27 CO -0.01 0.19 0.02 0.42 -0.54 0.00 0.00 175.26 175.35 1oii s ILE 28 N 0.49 4.13 0.17 -3.70 1.01 0.85 -0.03 121.20 124.11 1oii s ILE 28 Ca 0.27 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.71 1oii s ILE 28 Cb -0.16 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 1oii s ILE 28 CO 0.12 0.42 0.20 -0.13 0.00 0.00 0.00 174.94 175.54 1oii s ARG 29 N 1.01 3.11 0.00 2.79 0.52 -0.26 -4.53 118.95 121.59 1oii s ARG 29 Ca 0.02 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 1oii s ARG 29 Cb -0.14 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.57 1oii s ARG 29 CO 0.02 0.49 0.00 0.41 0.02 0.00 0.00 175.30 176.24 1oii n GLY 30 N -0.51 0.41 2.98 -3.53 0.00 -1.26 -4.08 105.19 99.20 1oii n GLY 30 Ca -0.08 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 1oii n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oii s VAL 31 N -2.00 1.29 -0.38 1.61 1.01 -1.26 -5.04 120.40 115.63 1oii s VAL 31 Ca 0.00 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 1oii s VAL 31 Cb 0.00 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.14 1oii s VAL 31 CO 0.00 0.41 0.45 -1.59 0.00 0.00 0.00 175.10 174.37 1oii s LYS 32 N 1.44 3.38 0.36 2.72 0.00 -1.26 -4.96 119.74 121.42 1oii s LYS 32 Ca 0.02 -0.48 -0.27 0.00 0.00 0.00 0.00 55.97 55.23 1oii s LYS 32 Cb -0.13 -3.88 -0.09 0.00 0.00 0.00 0.00 37.83 33.73 1oii s LYS 32 CO -0.07 -0.71 1.23 -0.51 0.00 0.00 0.00 175.35 175.29 1oii s LEU 33 N 2.21 4.32 -0.05 2.77 1.43 -1.26 -4.89 118.68 123.21 1oii s LEU 33 Ca 0.14 2.51 -0.31 0.00 -1.03 0.00 0.00 54.13 55.44 1oii s LEU 33 Cb -0.16 -3.83 0.12 0.00 0.03 0.00 0.00 46.19 42.34 1oii s LEU 33 CO 0.13 -0.60 1.15 -0.94 0.23 0.00 0.00 176.35 176.32 1oii s SER 34 N -0.81 -0.15 0.09 2.29 1.04 -1.26 -4.83 113.70 110.07 1oii s SER 34 Ca 0.53 -0.11 0.09 0.00 0.48 0.00 0.00 55.95 56.94 1oii s SER 34 Cb -0.35 0.24 0.43 0.00 0.10 0.00 0.00 66.02 66.44 1oii s SER 34 CO 0.46 -0.42 1.27 -2.65 0.98 0.00 0.00 173.24 172.88 1oii n PRO 35 N -0.31 0.05 -0.20 4.02 -0.02 -1.26 -3.25 135.00 134.02 1oii n PRO 35 Ca -0.05 0.49 0.07 0.00 -2.02 0.00 0.00 63.50 61.99 1oii n PRO 35 Cb 0.61 -1.63 0.18 0.00 -0.02 0.00 0.00 33.50 32.63 1oii n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1oii n ASP 36 N -1.73 3.07 -4.67 2.55 8.00 -1.26 -4.84 116.55 117.67 1oii n ASP 36 Ca 0.00 -1.97 -0.44 0.00 0.71 0.00 0.00 54.79 53.09 1oii n ASP 36 Cb 0.05 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 40.86 1oii n ASP 36 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1oii n LEU 37 N 0.73 3.05 -4.75 0.64 4.77 -1.20 -4.99 117.00 115.25 1oii n LEU 37 Ca 0.14 1.16 -0.30 0.00 -0.03 0.00 0.00 56.01 56.98 1oii n LEU 37 Cb 0.46 -1.42 0.11 0.00 -2.33 0.00 0.00 43.42 40.24 1oii n LEU 37 CO 0.10 -0.59 0.69 1.51 -1.33 0.00 0.00 177.39 177.76 1oii s ASP 38 N 0.05 4.01 0.32 -1.43 3.84 -1.26 -4.82 116.67 117.39 1oii s ASP 38 Ca 0.64 1.51 0.01 0.00 -0.00 0.00 0.00 52.55 54.71 1oii s ASP 38 Cb -0.64 -2.22 0.53 0.00 -1.38 0.00 0.00 42.92 39.21 1oii s ASP 38 CO 0.54 -2.30 1.91 0.00 -0.00 0.00 0.00 175.17 175.31 1oii h ALA 39 N -1.31 1.37 -0.49 2.11 0.00 -1.99 -1.78 119.26 117.16 1oii h ALA 39 Ca -0.47 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 1oii h ALA 39 Cb 1.27 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1oii h ALA 39 CO 0.55 0.48 0.11 0.00 0.00 0.00 0.00 179.25 180.39 1oii h ALA 40 N 1.47 0.65 -0.22 0.00 0.00 -1.98 -0.26 119.26 118.92 1oii h ALA 40 Ca 0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1oii h ALA 40 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1oii h ALA 40 CO -0.02 0.35 0.04 1.15 0.00 0.00 0.00 179.25 180.77 1oii h THR 41 N 0.68 1.23 -0.50 0.00 2.02 -1.83 -0.90 112.91 113.61 1oii h THR 41 Ca 0.15 -0.75 0.05 0.00 0.77 0.00 0.00 66.41 66.64 1oii h THR 41 Cb 0.35 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 1oii h THR 41 CO 0.00 0.23 0.23 0.58 0.37 0.00 0.00 175.52 176.94 1oii h VAL 42 N 0.16 0.91 -0.74 3.16 2.07 -1.22 -1.09 116.25 119.50 1oii h VAL 42 Ca 0.07 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1oii h VAL 42 Cb 0.32 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1oii h VAL 42 CO 0.00 0.08 0.23 -0.08 0.02 0.00 0.00 177.57 177.83 1oii h GLU 43 N 0.45 1.15 -0.22 1.57 4.81 -0.75 -0.41 114.58 121.17 1oii h GLU 43 Ca 0.23 -0.25 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 1oii h GLU 43 Cb 0.17 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1oii h GLU 43 CO -0.18 0.98 -0.37 0.00 -0.73 0.00 0.00 179.01 178.71 1oii h ALA 44 N 1.12 0.95 -0.35 2.92 0.00 -0.81 -1.46 119.26 121.63 1oii h ALA 44 Ca 0.24 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1oii h ALA 44 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1oii h ALA 44 CO -0.01 0.62 -0.01 0.82 0.00 0.00 0.00 179.25 180.67 1oii h ILE 45 N 0.42 1.26 -0.88 0.00 2.04 -0.76 -0.90 117.51 118.69 1oii h ILE 45 Ca 0.04 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 1oii h ILE 45 Cb 0.84 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 38.09 1oii h ILE 45 CO 0.07 0.33 0.52 1.56 0.00 0.00 0.00 178.15 180.63 1oii h GLN 46 N 0.43 1.21 -0.41 2.37 1.08 -0.77 -1.15 115.11 117.87 1oii h GLN 46 Ca 0.10 -0.12 -0.15 0.00 -1.45 0.00 0.00 58.65 57.03 1oii h GLN 46 Cb 0.48 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1oii h GLN 46 CO 0.02 0.86 -0.32 0.00 -0.95 0.00 0.00 178.83 178.44 1oii h ALA 47 N 1.35 0.65 -0.54 3.87 0.00 -0.97 -1.86 119.26 121.76 1oii h ALA 47 Ca 0.32 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1oii h ALA 47 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1oii h ALA 47 CO -0.06 0.67 0.14 0.00 0.00 0.00 0.00 179.25 180.01 1oii h ALA 48 N 0.85 1.25 -0.11 0.00 0.00 -1.00 -1.26 119.26 119.00 1oii h ALA 48 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1oii h ALA 48 Cb 0.90 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1oii h ALA 48 CO 0.08 0.53 0.03 1.25 0.00 0.00 0.00 179.25 181.14 1oii h LEU 49 N 0.79 0.16 -0.28 0.00 5.85 -1.06 0.58 115.31 121.34 1oii h LEU 49 Ca 0.18 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1oii h LEU 49 Cb 0.27 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1oii h LEU 49 CO -0.00 0.34 0.12 0.58 -0.34 0.00 0.00 178.44 179.14 1oii h VAL 50 N -0.03 0.96 -0.25 1.05 2.07 -1.12 -0.42 116.25 118.50 1oii h VAL 50 Ca 0.03 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1oii h VAL 50 Cb 0.25 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1oii h VAL 50 CO 0.00 0.05 -0.11 -0.09 0.02 0.00 0.00 177.57 177.44 1oii h ARG 51 N 0.26 0.52 -0.00 1.57 2.43 -1.18 -3.34 114.38 114.65 1oii h ARG 51 Ca 0.12 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1oii h ARG 51 Cb 0.06 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1oii h ARG 51 CO -0.10 0.78 -0.78 0.72 -1.51 0.00 0.00 179.97 179.07 1oii n HIS 52 N -4.49 0.00 0.00 2.20 8.25 0.19 -4.97 115.22 116.40 1oii n HIS 52 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1oii n HIS 52 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 1oii n HIS 52 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1oii n LYS 53 N -1.19 0.00 -3.83 -0.41 4.01 -0.17 -0.91 118.16 115.66 1oii n LYS 53 Ca 0.04 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.71 1oii n LYS 53 Cb 0.31 -0.24 -0.14 0.00 -0.51 0.00 0.00 35.03 34.44 1oii n LYS 53 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1oii s VAL 54 N 0.00 -0.02 0.11 -0.18 0.11 -1.26 -0.42 120.40 118.74 1oii s VAL 54 Ca 0.00 0.06 0.06 0.00 -2.93 0.00 0.00 61.98 59.18 1oii s VAL 54 Cb 0.00 -0.08 -0.03 0.00 -1.53 0.00 0.00 36.38 34.73 1oii s VAL 54 CO 0.00 0.03 -0.16 0.27 -3.33 0.00 0.00 175.10 171.90 1oii s ILE 55 N 0.35 1.40 -0.02 7.04 -4.36 0.15 -1.58 121.20 124.17 1oii s ILE 55 Ca -0.03 -1.56 0.05 0.00 -0.26 0.00 0.00 60.65 58.85 1oii s ILE 55 Cb -0.04 -1.42 -0.01 0.00 1.25 0.00 0.00 42.46 42.24 1oii s ILE 55 CO -0.01 -0.26 -0.16 -0.36 0.24 0.00 0.00 174.94 174.39 1oii s PHE 56 N -1.62 1.52 -0.13 1.37 0.08 0.47 -1.00 117.98 118.66 1oii s PHE 56 Ca 0.05 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.77 1oii s PHE 56 Cb -0.08 -1.00 0.02 0.00 -0.57 0.00 0.00 43.02 41.39 1oii s PHE 56 CO 0.03 -0.08 -0.13 -0.06 -0.10 0.00 0.00 175.22 174.89 1oii s PHE 57 N -0.21 1.99 0.24 0.36 0.40 -0.01 -0.10 117.98 120.65 1oii s PHE 57 Ca 0.02 -1.06 0.05 0.00 -0.60 0.00 0.00 56.93 55.35 1oii s PHE 57 Cb -0.08 -1.48 -0.03 0.00 0.51 0.00 0.00 43.02 41.93 1oii s PHE 57 CO 0.00 -0.59 0.35 1.03 0.70 0.00 0.00 175.22 176.71 1oii s ARG 58 N 1.40 3.40 -1.33 0.44 0.52 -1.26 -0.33 118.95 121.78 1oii s ARG 58 Ca 0.02 -0.78 -0.07 0.00 -0.52 0.00 0.00 55.73 54.38 1oii s ARG 58 Cb -0.13 -2.87 0.01 0.00 0.52 0.00 0.00 34.95 32.48 1oii s ARG 58 CO -0.08 0.43 0.91 0.41 0.02 0.00 0.00 175.30 176.99 1oii n GLY 59 N -1.37 -0.44 2.46 -3.53 0.00 -1.21 -4.89 105.19 96.21 1oii n GLY 59 Ca -0.09 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1oii n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1oii n GLN 60 N -4.37 3.24 0.21 1.61 1.13 -0.03 -4.70 117.38 114.48 1oii n GLN 60 Ca -0.03 -2.69 0.08 0.00 -1.94 0.00 0.00 57.00 52.42 1oii n GLN 60 Cb 0.58 -2.33 0.44 0.00 0.11 0.00 0.00 30.24 29.04 1oii n GLN 60 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1oii h THR 61 N 2.24 0.70 0.00 5.09 1.35 -1.91 -2.32 112.91 118.08 1oii h THR 61 Ca 0.51 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1oii h THR 61 Cb 0.60 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1oii h THR 61 CO 1.09 0.27 0.00 1.12 -0.25 0.00 0.00 175.52 177.74 1oii h HIS 62 N 0.00 0.00 -3.25 4.73 2.07 -1.97 -3.45 115.15 113.28 1oii h HIS 62 Ca -0.00 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.95 1oii h HIS 62 Cb 0.75 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.68 1oii h HIS 62 CO 0.00 0.00 1.01 -1.17 -3.07 0.00 0.00 177.93 174.70 1oii s LEU 63 N -5.71 3.72 0.00 6.12 0.20 -0.87 -4.99 118.68 117.15 1oii s LEU 63 Ca 0.02 0.97 0.03 0.00 0.69 0.00 0.00 54.13 55.83 1oii s LEU 63 Cb 0.09 -3.54 0.03 0.00 -0.43 0.00 0.00 46.19 42.34 1oii s LEU 63 CO 0.49 -1.26 0.23 -0.90 -0.29 0.00 0.00 176.35 174.62 1oii n ASP 64 N 8.21 1.65 -0.21 3.68 5.68 -1.26 -4.84 116.55 129.46 1oii n ASP 64 Ca 0.15 -1.85 0.01 0.00 -0.50 0.00 0.00 54.79 52.60 1oii n ASP 64 Cb 0.47 -0.05 0.10 0.00 -1.14 0.00 0.00 41.12 40.50 1oii n ASP 64 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1oii h ASP 65 N 0.26 -0.29 -0.12 -1.12 3.32 -1.97 0.44 116.42 116.93 1oii h ASP 65 Ca -0.16 0.16 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1oii h ASP 65 Cb 0.59 0.28 0.01 0.00 0.22 0.00 0.00 39.33 40.43 1oii h ASP 65 CO 0.24 -0.12 -0.59 1.56 -1.72 0.00 0.00 179.24 178.61 1oii h GLN 66 N 0.11 0.60 -0.11 3.56 7.50 -1.95 -2.53 115.11 122.29 1oii h GLN 66 Ca 0.32 -0.50 -0.12 0.00 0.50 0.00 0.00 58.65 58.86 1oii h GLN 66 Cb 0.52 0.10 -0.01 0.00 0.05 0.00 0.00 27.48 28.15 1oii h GLN 66 CO -0.54 1.12 -0.45 0.66 -1.50 0.00 0.00 178.83 178.12 1oii h SER 67 N 0.24 0.29 -0.10 1.46 4.64 -1.85 -0.74 113.55 117.50 1oii h SER 67 Ca -0.04 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1oii h SER 67 Cb 1.23 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1oii h SER 67 CO 0.12 0.70 0.06 -0.61 -0.87 0.00 0.00 176.83 176.23 1oii h GLN 68 N 0.22 0.13 -0.60 4.77 4.15 -0.88 0.13 115.11 123.03 1oii h GLN 68 Ca 0.02 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1oii h GLN 68 Cb 0.88 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.51 1oii h GLN 68 CO 0.07 0.09 0.40 1.49 -1.93 0.00 0.00 178.83 178.95 1oii h GLU 69 N 0.13 0.80 -0.35 1.69 4.81 -1.24 -0.90 114.58 119.52 1oii h GLU 69 Ca 0.04 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 1oii h GLU 69 Cb -0.01 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1oii h GLU 69 CO -0.01 0.53 -0.40 0.78 -0.73 0.00 0.00 179.01 179.19 1oii h GLY 70 N 0.82 0.92 0.80 1.92 0.00 -0.93 -2.24 103.07 104.35 1oii h GLY 70 Ca 0.22 -0.94 0.03 0.00 0.00 0.00 0.00 47.33 46.64 1oii h GLY 70 CO -0.05 0.85 0.28 -2.75 0.00 0.00 0.00 176.54 174.88 1oii h PHE 71 N 0.69 0.53 -0.91 5.60 3.57 -0.61 -3.00 116.94 122.81 1oii h PHE 71 Ca 0.05 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.65 1oii h PHE 71 Cb 0.97 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.49 1oii h PHE 71 CO 0.06 0.28 0.59 0.00 -2.23 0.00 0.00 178.31 177.01 1oii h ALA 72 N 1.25 1.54 0.00 2.41 0.00 -0.70 -1.03 119.26 122.74 1oii h ALA 72 Ca 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1oii h ALA 72 Cb 0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1oii h ALA 72 CO -0.13 0.31 -0.08 0.87 0.00 0.00 0.00 179.25 180.22 1oii h LYS 73 N 1.00 0.00 0.00 0.00 1.57 -1.27 0.78 116.57 118.64 1oii h LYS 73 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1oii h LYS 73 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1oii h LYS 73 CO -0.16 0.08 0.00 -0.07 -0.57 0.00 0.00 179.45 178.73 1oii h LEU 74 N 0.00 0.00 0.00 2.94 3.38 -1.21 -3.27 115.31 117.15 1oii h LEU 74 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1oii h LEU 74 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1oii h LEU 74 CO 0.01 0.00 -1.65 0.18 0.09 0.00 0.00 178.44 177.07 1oii n LEU 75 N -2.88 0.17 0.00 1.67 4.77 0.25 -5.05 117.00 115.92 1oii n LEU 75 Ca 0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1oii n LEU 75 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1oii n LEU 75 CO 0.24 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1oii n GLY 76 N 1.44 -0.75 3.36 -0.72 0.00 -1.11 -5.10 105.19 102.31 1oii n GLY 76 Ca -0.02 -0.87 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 1oii n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oii s GLU 77 N -0.88 3.13 0.49 1.61 0.41 -1.26 -4.21 118.70 117.99 1oii s GLU 77 Ca 0.00 -0.84 -0.22 0.00 -0.41 0.00 0.00 54.97 53.50 1oii s GLU 77 Cb 0.00 -3.42 -0.08 0.00 -1.78 0.00 0.00 34.13 28.85 1oii s GLU 77 CO 0.00 -0.45 1.06 -2.30 -0.49 0.00 0.00 175.26 173.09 1oii n PRO 78 N 4.89 1.33 0.00 0.39 -0.02 -1.26 -1.03 135.00 139.30 1oii n PRO 78 Ca -0.14 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1oii n PRO 78 Cb 0.48 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1oii n PRO 78 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1oii n VAL 79 N -0.90 0.00 -0.83 -1.45 0.24 -0.27 -4.72 118.33 110.40 1oii n VAL 79 Ca 0.10 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.01 1oii n VAL 79 Cb 0.42 -0.08 -0.08 0.00 -1.47 0.00 0.00 33.84 32.64 1oii n VAL 79 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1oii n PRO 85 N 0.00 0.00 -3.60 7.34 -0.05 -1.26 -4.85 135.00 132.58 1oii n PRO 85 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 63.50 63.24 1oii n PRO 85 Cb 0.00 -0.97 -0.03 0.00 -0.05 0.00 0.00 33.50 32.45 1oii n PRO 85 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 1oii s VAL 86 N 3.72 2.61 0.23 0.52 -7.23 -1.26 -4.76 120.40 114.23 1oii s VAL 86 Ca 0.77 -1.36 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 1oii s VAL 86 Cb -0.97 -2.98 -0.10 0.00 0.56 0.00 0.00 36.38 32.89 1oii s VAL 86 CO 0.43 0.00 1.48 -0.69 -0.31 0.00 0.00 175.10 176.01 1oii s VAL 87 N -2.49 2.63 0.22 1.32 1.01 -0.06 -4.92 120.40 118.12 1oii s VAL 87 Ca 0.48 0.51 -0.32 0.00 0.00 0.00 0.00 61.98 62.65 1oii s VAL 87 Cb -0.03 -3.33 -0.14 0.00 0.00 0.00 0.00 36.38 32.89 1oii s VAL 87 CO 0.27 0.07 1.46 -0.90 0.00 0.00 0.00 175.10 176.01 1oii n ASP 88 N 2.77 2.87 0.00 3.32 5.75 -1.26 -1.79 116.55 128.21 1oii n ASP 88 Ca 0.09 1.12 0.00 0.00 -0.01 0.00 0.00 54.79 55.99 1oii n ASP 88 Cb 0.40 -1.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.06 1oii n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1oii n GLY 89 N 2.52 0.76 3.19 6.12 0.00 -1.26 -5.04 105.19 111.48 1oii n GLY 89 Ca 0.13 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 1oii n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oii s THR 90 N -2.00 0.04 -0.15 2.61 -4.23 -0.74 -4.76 115.64 106.41 1oii s THR 90 Ca 0.00 -1.95 0.16 0.00 -1.18 0.00 0.00 61.69 58.73 1oii s THR 90 Cb 0.00 -2.31 -0.23 0.00 1.34 0.00 0.00 72.50 71.30 1oii s THR 90 CO 0.00 -0.19 0.12 -1.14 -0.54 0.00 0.00 174.62 172.87 1oii n ARG 91 N -0.20 1.00 0.00 3.99 0.63 -1.26 -4.77 116.66 116.05 1oii n ARG 91 Ca -0.01 -0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 1oii n ARG 91 Cb 0.65 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 32.10 1oii n ARG 91 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1oii n TYR 92 N -2.59 0.00 -2.59 -0.14 4.01 -1.26 -4.95 117.16 109.64 1oii n TYR 92 Ca -0.25 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.06 1oii n TYR 92 Cb 1.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.00 1oii n TYR 92 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1oii s LEU 93 N -1.08 4.22 -0.11 7.72 2.96 -1.26 -4.66 118.68 126.47 1oii s LEU 93 Ca 0.00 1.60 -0.03 0.00 -0.22 0.00 0.00 54.13 55.48 1oii s LEU 93 Cb 0.00 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 1oii s LEU 93 CO 0.00 -0.56 0.02 -0.22 -1.32 0.00 0.00 176.35 174.27 1oii s LEU 94 N 2.44 3.68 -0.18 -0.68 2.96 0.37 -0.88 118.68 126.39 1oii s LEU 94 Ca 0.50 0.16 -0.07 0.00 -0.22 0.00 0.00 54.13 54.50 1oii s LEU 94 Cb -0.20 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1oii s LEU 94 CO 0.16 0.34 0.05 -1.58 -1.32 0.00 0.00 176.35 174.01 1oii s GLN 95 N -0.67 3.94 -0.15 1.98 0.74 -1.26 -0.23 119.66 124.00 1oii s GLN 95 Ca 0.11 -0.36 -0.00 0.00 0.05 0.00 0.00 55.36 55.15 1oii s GLN 95 Cb -0.12 -3.19 -0.01 0.00 1.10 0.00 0.00 33.01 30.79 1oii s GLN 95 CO 0.02 0.25 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.38 1oii s LEU 96 N 0.41 2.63 -0.31 3.68 2.01 0.27 -5.00 118.68 122.37 1oii s LEU 96 Ca 0.02 -0.39 0.18 0.00 0.01 0.00 0.00 54.13 53.95 1oii s LEU 96 Cb -0.13 -1.60 0.46 0.00 0.01 0.00 0.00 46.19 44.93 1oii s LEU 96 CO 0.01 0.11 1.16 -0.90 1.01 0.00 0.00 176.35 177.74 1oii n ASP 97 N 3.86 0.58 -3.21 2.29 5.68 -1.26 -1.84 116.55 122.65 1oii n ASP 97 Ca -0.18 -2.35 0.00 0.00 -0.50 0.00 0.00 54.79 51.76 1oii n ASP 97 Cb 0.52 -0.11 -0.01 0.00 -1.14 0.00 0.00 41.12 40.38 1oii n ASP 97 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1oii s ARG 103 N -2.42 0.77 -0.57 0.11 0.52 -1.26 -5.05 118.95 111.06 1oii s ARG 103 Ca 0.24 -0.19 -0.06 0.00 -0.52 0.00 0.00 55.73 55.19 1oii s ARG 103 Cb 0.40 0.07 -0.13 0.00 0.52 0.00 0.00 34.95 35.80 1oii s ARG 103 CO -0.03 -1.17 3.21 0.00 0.02 0.00 0.00 175.30 177.33 1oii n ALA 104 N 4.54 6.71 -1.76 2.13 0.00 -1.26 -4.79 120.51 126.08 1oii n ALA 104 Ca 0.10 -2.64 -0.38 0.00 0.00 0.00 0.00 53.44 50.53 1oii n ALA 104 Cb 0.56 -2.57 -0.02 0.00 0.00 0.00 0.00 19.45 17.42 1oii n ALA 104 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1oii n ASN 105 N 2.39 7.96 -3.75 0.00 2.04 -1.18 -1.03 115.26 121.70 1oii n ASN 105 Ca 0.54 -3.00 -0.13 0.00 -0.44 0.00 0.00 54.58 51.55 1oii n ASN 105 Cb 0.64 -1.39 -0.10 0.00 -2.53 0.00 0.00 39.78 36.39 1oii n ASN 105 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1oii s SER 106 N 0.82 -0.34 -0.02 0.53 0.15 -1.26 -4.94 113.70 108.64 1oii s SER 106 Ca 0.59 0.60 -0.30 0.00 0.70 0.00 0.00 55.95 57.54 1oii s SER 106 Cb 0.21 0.65 -0.05 0.00 -1.71 0.00 0.00 66.02 65.12 1oii s SER 106 CO -0.10 -0.19 1.39 0.26 1.20 0.00 0.00 173.24 175.80 1oii s TRP 107 N -0.10 2.82 0.13 3.44 0.52 -1.26 -4.52 118.94 119.98 1oii s TRP 107 Ca -0.03 0.83 -0.17 0.00 0.02 0.00 0.00 56.10 56.75 1oii s TRP 107 Cb -0.03 -3.64 0.04 0.00 -1.15 0.00 0.00 33.47 28.69 1oii s TRP 107 CO 0.01 -2.37 0.43 -3.38 0.02 0.00 0.00 176.95 171.66 1oii s HIS 108 N 2.59 -0.24 -0.11 -1.98 -3.43 -0.94 -0.81 115.29 110.37 1oii s HIS 108 Ca 0.63 -0.07 -0.04 0.00 -0.80 0.00 0.00 55.06 54.78 1oii s HIS 108 Cb -0.30 0.30 -0.04 0.00 -1.43 0.00 0.00 32.58 31.12 1oii s HIS 108 CO 0.25 -0.73 0.05 0.99 -2.00 0.00 0.00 174.74 173.30 1oii s THR 109 N -3.80 4.76 0.18 -5.38 2.01 -1.26 -1.24 115.64 110.89 1oii s THR 109 Ca 0.03 -0.07 -0.31 0.00 0.31 0.00 0.00 61.69 61.64 1oii s THR 109 Cb 0.01 -3.05 -0.10 0.00 0.01 0.00 0.00 72.50 69.38 1oii s THR 109 CO -0.11 0.59 1.57 -1.81 -0.69 0.00 0.00 174.62 174.16 1oii s ASP 110 N -0.75 6.58 -1.75 3.53 -0.00 -1.26 -3.47 116.67 119.55 1oii s ASP 110 Ca 0.12 2.64 -0.00 0.00 -0.00 0.00 0.00 52.55 55.31 1oii s ASP 110 Cb -0.12 -2.60 0.00 0.00 -0.00 0.00 0.00 42.92 40.21 1oii s ASP 110 CO 0.03 -0.83 0.01 0.52 -0.00 0.00 0.00 175.17 174.90 1oii n VAL 111 N 3.81 -0.99 0.56 -1.27 0.31 -1.26 -4.35 118.33 115.14 1oii n VAL 111 Ca 0.13 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.53 1oii n VAL 111 Cb 0.38 -2.92 0.31 0.00 -0.91 0.00 0.00 33.84 30.70 1oii n VAL 111 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1oii n THR 112 N -3.99 0.79 0.73 2.52 -2.24 -1.23 -1.74 114.28 109.13 1oii n THR 112 Ca -0.24 0.20 0.09 0.00 -2.27 0.00 0.00 64.05 61.83 1oii n THR 112 Cb 0.68 -0.98 0.42 0.00 -2.10 0.00 0.00 70.33 68.35 1oii n THR 112 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1oii n PHE 113 N -1.35 0.00 -3.91 4.78 1.16 -1.26 -4.72 117.46 112.16 1oii n PHE 113 Ca 0.05 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.42 1oii n PHE 113 Cb 0.12 -0.41 -0.04 0.00 -1.61 0.00 0.00 39.48 37.54 1oii n PHE 113 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 1oii s VAL 114 N -2.81 3.64 -0.00 1.97 -7.23 -0.71 -3.65 120.40 111.61 1oii s VAL 114 Ca 0.12 -1.43 -0.24 0.00 -1.81 0.00 0.00 61.98 58.62 1oii s VAL 114 Cb 0.12 -3.19 -0.16 0.00 0.56 0.00 0.00 36.38 33.70 1oii s VAL 114 CO 0.31 -0.21 1.18 -0.08 -0.31 0.00 0.00 175.10 175.99 1oii h GLU 115 N 1.34 -0.35 -2.89 4.82 4.81 -1.86 -3.35 114.58 117.10 1oii h GLU 115 Ca -0.45 0.02 -0.72 0.00 -0.13 0.00 0.00 59.36 58.08 1oii h GLU 115 Cb 1.25 0.08 -0.34 0.00 0.63 0.00 0.00 28.75 30.37 1oii h GLU 115 CO 0.59 -0.02 0.14 0.00 -0.73 0.00 0.00 179.01 178.99 1oii n ALA 116 N -2.48 4.41 -1.45 2.92 0.00 -1.26 -4.12 120.51 118.53 1oii n ALA 116 Ca -0.09 -4.73 -0.31 0.00 0.00 0.00 0.00 53.44 48.31 1oii n ALA 116 Cb 0.26 -1.78 0.08 0.00 0.00 0.00 0.00 19.45 18.01 1oii n ALA 116 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1oii s TYR 117 N -2.19 2.85 0.43 0.00 -0.85 -1.26 -4.23 117.35 112.10 1oii s TYR 117 Ca 0.32 1.40 -0.24 0.00 -0.52 0.00 0.00 57.07 58.03 1oii s TYR 117 Cb 0.03 -2.99 -0.10 0.00 0.38 0.00 0.00 41.96 39.28 1oii s TYR 117 CO -0.01 -1.58 1.07 -2.30 -1.52 0.00 0.00 175.55 171.22 1oii n PRO 118 N -3.35 1.46 0.13 -3.49 -0.02 -1.26 -3.08 135.00 125.38 1oii n PRO 118 Ca 0.08 0.52 0.07 0.00 -2.02 0.00 0.00 63.50 62.16 1oii n PRO 118 Cb 0.54 -2.13 0.04 0.00 -0.02 0.00 0.00 33.50 31.93 1oii n PRO 118 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1oii h LYS 119 N 1.61 0.00 -2.45 -0.52 2.10 -1.34 -3.41 116.57 112.56 1oii h LYS 119 Ca -0.45 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.30 1oii h LYS 119 Cb 1.33 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.53 1oii h LYS 119 CO 0.57 0.17 0.43 0.00 -2.00 0.00 0.00 179.45 178.62 1oii s ALA 120 N -3.15 -1.72 0.10 0.07 0.00 -1.24 -0.76 121.76 115.06 1oii s ALA 120 Ca 0.02 0.68 0.03 0.00 0.00 0.00 0.00 51.96 52.69 1oii s ALA 120 Cb 0.08 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 1oii s ALA 120 CO 0.75 -0.79 -0.08 -1.12 0.00 0.00 0.00 175.76 174.52 1oii s SER 121 N -2.64 1.30 -0.15 0.00 0.01 -1.18 -1.34 113.70 109.70 1oii s SER 121 Ca 0.06 -0.91 0.01 0.00 1.31 0.00 0.00 55.95 56.42 1oii s SER 121 Cb -0.01 0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.28 1oii s SER 121 CO -0.07 -0.36 -0.15 -0.63 0.41 0.00 0.00 173.24 172.44 1oii s ILE 122 N -3.01 1.64 -0.07 1.44 1.01 0.33 -2.76 121.20 119.78 1oii s ILE 122 Ca 0.09 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1oii s ILE 122 Cb 0.01 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.98 1oii s ILE 122 CO -0.02 0.47 -0.08 -0.22 0.00 0.00 0.00 174.94 175.09 1oii s LEU 123 N 1.37 1.38 -0.06 2.97 2.96 -0.17 -0.97 118.68 126.16 1oii s LEU 123 Ca 0.03 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1oii s LEU 123 Cb -0.13 -0.70 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 1oii s LEU 123 CO -0.09 -0.04 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.11 1oii s ARG 124 N 1.08 2.55 -0.24 1.98 3.52 0.21 -0.46 118.95 127.60 1oii s ARG 124 Ca -0.08 -0.78 -0.27 0.00 -0.13 0.00 0.00 55.73 54.47 1oii s ARG 124 Cb -0.14 -2.30 0.00 0.00 -1.56 0.00 0.00 34.95 30.95 1oii s ARG 124 CO -0.01 0.51 0.96 0.45 -0.81 0.00 0.00 175.30 176.40 1oii s SER 125 N -0.45 7.00 -0.24 -2.12 0.15 0.14 -0.89 113.70 117.29 1oii s SER 125 Ca 0.05 1.25 -0.12 0.00 0.70 0.00 0.00 55.95 57.84 1oii s SER 125 Cb -0.12 -2.50 -0.16 0.00 -1.71 0.00 0.00 66.02 61.53 1oii s SER 125 CO 0.02 -0.61 -0.11 0.52 1.20 0.00 0.00 173.24 174.25 1oii n VAL 126 N 5.30 1.55 -4.44 4.45 0.31 0.47 -1.25 118.33 124.73 1oii n VAL 126 Ca 0.10 -0.37 -0.27 0.00 -0.01 0.00 0.00 64.34 63.78 1oii n VAL 126 Cb 0.47 -1.81 -0.17 0.00 -0.91 0.00 0.00 33.84 31.42 1oii n VAL 126 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1oii s VAL 127 N -2.48 1.36 -0.18 2.52 1.01 -0.67 -4.74 120.40 117.21 1oii s VAL 127 Ca -0.34 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1oii s VAL 127 Cb 0.11 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1oii s VAL 127 CO 0.57 0.41 -0.18 0.00 0.00 0.00 0.00 175.10 175.90 1oii s ALA 128 N 0.98 2.38 0.29 5.51 0.00 -1.26 -1.48 121.76 128.17 1oii s ALA 128 Ca -0.07 -1.20 -0.29 0.00 0.00 0.00 0.00 51.96 50.39 1oii s ALA 128 Cb -0.15 -1.23 -0.14 0.00 0.00 0.00 0.00 23.12 21.61 1oii s ALA 128 CO -0.01 -0.33 1.16 -2.30 0.00 0.00 0.00 175.76 174.28 1oii n PRO 129 N 4.59 1.65 0.18 0.00 -0.02 -1.23 -4.88 135.00 135.29 1oii n PRO 129 Ca -0.21 0.58 0.08 0.00 -2.02 0.00 0.00 63.50 61.93 1oii n PRO 129 Cb 0.50 -2.06 0.59 0.00 -0.02 0.00 0.00 33.50 32.51 1oii n PRO 129 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oii h ALA 130 N 2.54 1.95 -3.42 3.55 0.00 -1.94 -3.42 119.26 118.52 1oii h ALA 130 Ca -0.42 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.27 1oii h ALA 130 Cb 1.32 -0.04 -0.25 0.00 0.00 0.00 0.00 17.79 18.81 1oii h ALA 130 CO 0.64 0.04 -0.71 -1.54 0.00 0.00 0.00 179.25 177.67 1oii s SER 131 N -6.92 0.10 0.00 0.00 1.04 -1.26 -5.11 113.70 101.55 1oii s SER 131 Ca -0.06 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1oii s SER 131 Cb 0.17 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1oii s SER 131 CO 0.69 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.39 1oii n GLY 132 N 2.46 -2.25 0.49 7.32 0.00 -1.26 -4.68 105.19 107.27 1oii n GLY 132 Ca -0.17 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1oii n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oii n GLY 133 N -0.59 0.87 3.66 -0.02 0.00 -1.26 -4.64 105.19 103.21 1oii n GLY 133 Ca 0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1oii n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oii s ASP 134 N -2.08 2.79 0.07 1.61 1.11 -1.26 -4.72 116.67 114.18 1oii s ASP 134 Ca 0.00 1.50 0.06 0.00 0.18 0.00 0.00 52.55 54.29 1oii s ASP 134 Cb 0.00 -2.17 -0.03 0.00 1.07 0.00 0.00 42.92 41.80 1oii s ASP 134 CO 0.00 -3.07 -0.16 -0.89 1.18 0.00 0.00 175.17 172.23 1oii s THR 135 N -2.83 1.29 -0.01 -1.27 2.01 -0.89 -1.11 115.64 112.84 1oii s THR 135 Ca 0.65 -1.27 0.06 0.00 0.31 0.00 0.00 61.69 61.44 1oii s THR 135 Cb -0.20 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 1oii s THR 135 CO 0.59 -0.09 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.54 1oii s VAL 136 N -1.10 1.53 0.12 3.82 1.01 -0.13 0.17 120.40 125.82 1oii s VAL 136 Ca 0.02 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.22 1oii s VAL 136 Cb -0.09 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1oii s VAL 136 CO 0.02 0.39 -0.25 0.26 0.00 0.00 0.00 175.10 175.53 1oii s TRP 137 N -0.51 2.16 -0.00 5.22 0.51 -0.10 -0.84 118.94 125.38 1oii s TRP 137 Ca 0.07 -0.39 0.08 0.00 -2.12 0.00 0.00 56.10 53.74 1oii s TRP 137 Cb -0.08 -1.18 -0.02 0.00 -0.81 0.00 0.00 33.47 31.38 1oii s TRP 137 CO -0.00 0.29 -0.26 0.00 -0.51 0.00 0.00 176.95 176.46 1oii s ALA 138 N -1.07 2.19 -0.60 0.98 0.00 -0.04 -1.11 121.76 122.11 1oii s ALA 138 Ca 0.12 -1.15 -0.21 0.00 0.00 0.00 0.00 51.96 50.71 1oii s ALA 138 Cb -0.10 -0.54 0.08 0.00 0.00 0.00 0.00 23.12 22.56 1oii s ALA 138 CO 0.05 0.53 0.81 1.21 0.00 0.00 0.00 175.76 178.37 1oii s ASN 139 N -0.76 6.19 0.09 0.00 3.84 0.52 -2.24 114.94 122.57 1oii s ASN 139 Ca 0.10 -1.12 0.23 0.00 0.21 0.00 0.00 52.86 52.29 1oii s ASN 139 Cb -0.10 -2.36 0.91 0.00 -0.55 0.00 0.00 41.25 39.15 1oii s ASN 139 CO -0.00 -1.23 1.71 0.35 -2.79 0.00 0.00 177.10 175.14 1oii n THR 140 N 5.75 0.60 0.06 -5.21 -2.24 -0.43 -1.96 114.28 110.84 1oii n THR 140 Ca -0.06 0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.59 1oii n THR 140 Cb 0.44 -0.81 -0.15 0.00 -2.10 0.00 0.00 70.33 67.71 1oii n THR 140 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oii h ALA 141 N 2.60 -0.04 -0.85 6.98 0.00 -1.76 -1.50 119.26 124.69 1oii h ALA 141 Ca 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 1oii h ALA 141 Cb 0.43 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1oii h ALA 141 CO 0.00 0.53 0.51 0.00 0.00 0.00 0.00 179.25 180.28 1oii h ALA 142 N 0.06 1.09 -0.51 0.00 0.00 -1.83 -1.55 119.26 116.52 1oii h ALA 142 Ca -0.20 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1oii h ALA 142 Cb 1.75 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1oii h ALA 142 CO 0.15 0.55 0.16 0.00 0.00 0.00 0.00 179.25 180.11 1oii h ALA 143 N 1.27 0.67 -0.19 0.00 0.00 -1.47 -1.79 119.26 117.75 1oii h ALA 143 Ca 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1oii h ALA 143 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1oii h ALA 143 CO -0.06 0.33 0.12 -0.92 0.00 0.00 0.00 179.25 178.73 1oii h TYR 144 N 0.69 0.25 -0.26 0.00 3.20 -1.31 -3.20 116.97 116.34 1oii h TYR 144 Ca 0.16 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 1oii h TYR 144 Cb 0.28 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1oii h TYR 144 CO 0.02 0.17 -0.08 0.37 -1.64 0.00 0.00 178.16 177.00 1oii h GLN 145 N 0.25 0.41 0.00 1.82 5.75 -1.01 -2.51 115.11 119.82 1oii h GLN 145 Ca 0.07 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1oii h GLN 145 Cb -0.02 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.48 1oii h GLN 145 CO -0.01 0.50 0.00 -0.85 -2.65 0.00 0.00 178.83 175.81 1oii n GLU 146 N -4.26 0.08 -1.98 1.69 0.28 -0.70 -4.82 120.64 110.93 1oii n GLU 146 Ca 0.00 0.09 -0.41 0.00 -0.16 0.00 0.00 57.16 56.68 1oii n GLU 146 Cb 0.27 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.62 1oii n GLU 146 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1oii s LEU 147 N -2.90 4.38 0.56 -1.84 1.43 -0.95 -4.96 118.68 114.40 1oii s LEU 147 Ca 0.14 2.74 -0.20 0.00 -1.03 0.00 0.00 54.13 55.78 1oii s LEU 147 Cb 0.16 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.68 1oii s LEU 147 CO 0.41 -0.71 0.93 -2.65 0.23 0.00 0.00 176.35 174.57 1oii n PRO 148 N 1.87 0.97 -0.25 1.29 -0.02 -1.26 -4.58 135.00 133.02 1oii n PRO 148 Ca 0.05 0.37 0.05 0.00 -2.02 0.00 0.00 63.50 61.96 1oii n PRO 148 Cb 0.40 -2.10 0.19 0.00 -0.02 0.00 0.00 33.50 31.97 1oii n PRO 148 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1oii h GLU 149 N 0.71 0.38 -0.43 -0.52 9.09 -1.95 -0.58 114.58 121.28 1oii h GLU 149 Ca -0.47 -0.02 -0.04 0.00 0.05 0.00 0.00 59.36 58.88 1oii h GLU 149 Cb 1.36 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 28.35 1oii h GLU 149 CO 0.52 0.25 0.11 -1.35 0.05 0.00 0.00 179.01 178.59 1oii h PRO 150 N 0.39 0.63 -0.17 1.06 0.11 -1.99 -0.59 132.00 131.44 1oii h PRO 150 Ca 0.42 -0.11 -0.16 0.00 0.11 0.00 0.00 66.00 66.26 1oii h PRO 150 Cb 0.66 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1oii h PRO 150 CO -0.43 0.57 -0.56 1.25 -0.21 0.00 0.00 178.00 178.62 1oii h LEU 151 N 0.62 0.59 -0.78 2.35 5.85 -1.48 -1.32 115.31 121.14 1oii h LEU 151 Ca 0.14 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 1oii h LEU 151 Cb 0.22 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1oii h LEU 151 CO -0.00 1.03 0.22 0.03 -0.34 0.00 0.00 178.44 179.37 1oii h ARG 152 N 0.40 1.13 -0.74 1.25 3.08 -0.74 0.21 114.38 118.98 1oii h ARG 152 Ca 0.01 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 1oii h ARG 152 Cb 1.10 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 1oii h ARG 152 CO 0.10 0.97 0.25 0.93 -1.07 0.00 0.00 179.97 181.16 1oii h GLU 153 N 1.09 1.13 -0.19 0.04 4.39 -0.95 0.23 114.58 120.32 1oii h GLU 153 Ca 0.23 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1oii h GLU 153 Cb 0.31 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1oii h GLU 153 CO -0.01 0.95 0.02 1.25 -1.16 0.00 0.00 179.01 180.06 1oii h LEU 154 N 1.09 0.32 -0.92 1.33 5.85 -0.98 -3.10 115.31 118.90 1oii h LEU 154 Ca 0.24 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.71 1oii h LEU 154 Cb 0.28 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1oii h LEU 154 CO -0.01 0.53 0.60 0.00 -0.34 0.00 0.00 178.44 179.21 1oii h ALA 155 N 0.81 1.22 -0.07 1.25 0.00 -0.30 0.15 119.26 122.32 1oii h ALA 155 Ca 0.06 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1oii h ALA 155 Cb 0.35 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1oii h ALA 155 CO 0.01 0.46 0.47 -0.44 0.00 0.00 0.00 179.25 179.74 1oii h ASP 156 N 1.16 0.00 0.00 0.00 3.32 -0.49 -2.19 116.42 118.21 1oii h ASP 156 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1oii h ASP 156 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1oii h ASP 156 CO -0.12 0.00 -0.93 0.29 -1.72 0.00 0.00 179.24 176.75 1oii n LYS 157 N -2.92 1.63 -3.01 3.56 5.02 0.03 -4.69 118.16 117.78 1oii n LYS 157 Ca -0.00 -0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 55.94 1oii n LYS 157 Cb 0.53 -1.26 -0.05 0.00 -0.02 0.00 0.00 35.03 34.23 1oii n LYS 157 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1oii s LEU 158 N -3.01 3.97 0.10 -0.35 1.43 -0.82 -4.99 118.68 115.01 1oii s LEU 158 Ca 0.03 1.28 0.08 0.00 -1.03 0.00 0.00 54.13 54.49 1oii s LEU 158 Cb 0.11 -4.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.19 1oii s LEU 158 CO 0.63 -0.28 -0.21 0.26 0.23 0.00 0.00 176.35 176.98 1oii s TRP 159 N -2.13 1.78 0.05 0.29 0.52 -1.26 -1.33 118.94 116.86 1oii s TRP 159 Ca 0.54 -0.42 0.04 0.00 0.02 0.00 0.00 56.10 56.29 1oii s TRP 159 Cb -0.10 -0.98 -0.02 0.00 -1.15 0.00 0.00 33.47 31.22 1oii s TRP 159 CO 0.21 0.20 -0.13 0.00 0.02 0.00 0.00 176.95 177.26 1oii s ALA 160 N -1.16 1.03 -0.24 0.98 0.00 -0.16 -0.66 121.76 121.55 1oii s ALA 160 Ca 0.06 -0.85 -0.21 0.00 0.00 0.00 0.00 51.96 50.96 1oii s ALA 160 Cb -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1oii s ALA 160 CO 0.04 0.15 0.64 0.08 0.00 0.00 0.00 175.76 176.68 1oii s VAL 161 N -1.07 4.98 -0.05 0.00 1.01 -0.02 -1.56 120.40 123.68 1oii s VAL 161 Ca -0.02 1.17 -0.03 0.00 0.00 0.00 0.00 61.98 63.11 1oii s VAL 161 Cb -0.09 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1oii s VAL 161 CO 0.01 0.04 0.09 -1.00 0.00 0.00 0.00 175.10 174.25 1oii s HIS 162 N 2.37 3.37 -0.01 5.22 3.76 0.14 0.37 115.29 130.52 1oii s HIS 162 Ca 0.27 0.31 -0.15 0.00 -0.15 0.00 0.00 55.06 55.34 1oii s HIS 162 Cb -0.16 -1.81 0.02 0.00 1.11 0.00 0.00 32.58 31.74 1oii s HIS 162 CO 0.09 0.59 0.31 0.45 -0.85 0.00 0.00 174.74 175.33 1oii s SER 163 N -1.38 -0.18 0.00 1.40 0.15 0.20 -0.87 113.70 113.01 1oii s SER 163 Ca 0.19 0.06 0.26 0.00 0.70 0.00 0.00 55.95 57.15 1oii s SER 163 Cb -0.12 0.31 0.61 0.00 -1.71 0.00 0.00 66.02 65.11 1oii s SER 163 CO 0.09 -0.46 1.48 -0.46 1.20 0.00 0.00 173.24 175.09 1oii n ASN 164 N 1.22 1.53 -4.57 5.45 2.04 -1.14 -4.73 115.26 115.05 1oii n ASN 164 Ca -0.21 -1.26 -0.41 0.00 -0.44 0.00 0.00 54.58 52.25 1oii n ASN 164 Cb 0.56 0.16 -0.03 0.00 -2.53 0.00 0.00 39.78 37.95 1oii n ASN 164 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1oii s GLU 165 N -2.34 3.23 -0.25 -3.83 0.41 -1.26 -4.98 118.70 109.68 1oii s GLU 165 Ca 0.27 0.36 -0.02 0.00 -0.41 0.00 0.00 54.97 55.17 1oii s GLU 165 Cb 0.19 -4.15 0.13 0.00 -1.78 0.00 0.00 34.13 28.52 1oii s GLU 165 CO 0.47 -2.04 0.33 0.54 -0.49 0.00 0.00 175.26 174.07 1oii s VAL 191 N 6.26 -0.50 0.07 2.63 0.11 -1.26 -5.20 120.40 122.51 1oii s VAL 191 Ca 0.51 -0.21 0.06 0.00 -2.93 0.00 0.00 61.98 59.40 1oii s VAL 191 Cb -0.10 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1oii s VAL 191 CO 0.23 -0.25 -0.07 -0.31 -3.33 0.00 0.00 175.10 171.37 1oii s TYR 192 N 2.45 2.83 -0.03 1.54 1.51 -1.26 -4.18 117.35 120.20 1oii s TYR 192 Ca 0.10 -0.10 0.01 0.00 -1.01 0.00 0.00 57.07 56.07 1oii s TYR 192 Cb -0.15 -1.50 0.02 0.00 -0.11 0.00 0.00 41.96 40.22 1oii s TYR 192 CO -0.21 0.42 -0.02 -1.21 -1.11 0.00 0.00 175.55 173.41 1oii s GLU 193 N -1.98 0.51 0.02 -0.62 2.02 -1.16 -2.90 118.70 114.60 1oii s GLU 193 Ca 0.21 -0.02 0.02 0.00 0.02 0.00 0.00 54.97 55.20 1oii s GLU 193 Cb -0.11 -0.60 -0.02 0.00 0.10 0.00 0.00 34.13 33.50 1oii s GLU 193 CO 0.13 -0.09 -0.08 0.99 0.02 0.00 0.00 175.26 176.23 1oii s THR 194 N 0.86 0.59 -0.24 3.63 2.01 -0.05 -0.75 115.64 121.69 1oii s THR 194 Ca -0.10 -0.73 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 1oii s THR 194 Cb -0.13 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.77 1oii s THR 194 CO -0.01 -0.12 0.09 -1.61 -0.69 0.00 0.00 174.62 172.28 1oii s GLU 195 N -0.93 3.74 0.13 4.92 2.02 -0.19 0.27 118.70 128.66 1oii s GLU 195 Ca -0.03 -0.44 0.10 0.00 0.02 0.00 0.00 54.97 54.62 1oii s GLU 195 Cb -0.06 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 1oii s GLU 195 CO 0.00 -0.12 -0.25 -1.01 0.02 0.00 0.00 175.26 173.90 1oii s HIS 196 N 1.46 2.17 0.57 1.61 3.76 -0.60 -1.45 115.29 122.81 1oii s HIS 196 Ca 0.06 -0.39 -0.20 0.00 -0.15 0.00 0.00 55.06 54.38 1oii s HIS 196 Cb -0.15 -1.17 -0.04 0.00 1.11 0.00 0.00 32.58 32.33 1oii s HIS 196 CO 0.04 0.33 1.21 -1.25 -0.85 0.00 0.00 174.74 174.22 1oii s PRO 197 N -2.11 3.12 0.31 8.40 0.04 -1.26 -0.99 135.00 142.51 1oii s PRO 197 Ca 0.13 1.83 0.12 0.00 0.04 0.00 0.00 61.00 63.12 1oii s PRO 197 Cb -0.10 -2.02 0.50 0.00 0.04 0.00 0.00 34.50 32.93 1oii s PRO 197 CO 0.06 -1.09 1.70 0.28 0.04 0.00 0.00 177.00 177.99 1oii h VAL 198 N 1.08 1.36 -3.31 -0.36 2.07 -1.44 -3.42 116.25 112.23 1oii h VAL 198 Ca -0.50 -1.78 -0.66 0.00 0.82 0.00 0.00 66.70 64.57 1oii h VAL 198 Cb 1.29 1.97 -0.29 0.00 -1.52 0.00 0.00 31.29 32.74 1oii h VAL 198 CO 0.56 0.51 -0.76 -0.69 0.02 0.00 0.00 177.57 177.20 1oii s VAL 199 N -3.83 3.01 -0.11 2.57 1.01 -1.26 -0.31 120.40 121.49 1oii s VAL 199 Ca -0.02 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 1oii s VAL 199 Cb 0.13 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1oii s VAL 199 CO 0.75 0.49 0.00 -0.60 0.00 0.00 0.00 175.10 175.73 1oii s ARG 200 N 0.96 3.22 -0.34 2.72 3.52 0.15 -4.04 118.95 125.13 1oii s ARG 200 Ca -0.02 -0.42 -0.19 0.00 -0.13 0.00 0.00 55.73 54.97 1oii s ARG 200 Cb -0.15 -2.86 -0.00 0.00 -1.56 0.00 0.00 34.95 30.38 1oii s ARG 200 CO -0.01 0.57 0.55 0.08 -0.81 0.00 0.00 175.30 175.68 1oii s VAL 201 N -0.52 4.98 0.20 7.11 1.01 -0.13 -0.95 120.40 132.11 1oii s VAL 201 Ca 0.09 0.47 -0.32 0.00 0.00 0.00 0.00 61.98 62.22 1oii s VAL 201 Cb -0.12 -3.98 -0.11 0.00 0.00 0.00 0.00 36.38 32.16 1oii s VAL 201 CO 0.02 -0.21 1.67 -2.28 0.00 0.00 0.00 175.10 174.30 1oii s HIS 202 N 2.48 2.95 -0.38 5.22 2.46 0.14 -4.53 115.29 123.63 1oii s HIS 202 Ca 0.21 0.45 0.24 0.00 0.47 0.00 0.00 55.06 56.42 1oii s HIS 202 Cb -0.15 -4.07 1.05 0.00 -0.13 0.00 0.00 32.58 29.28 1oii s HIS 202 CO 0.13 -4.00 1.72 -0.35 -2.47 0.00 0.00 174.74 169.77 1oii n PRO 203 N 3.91 0.19 -0.10 2.88 -0.04 -1.26 -1.10 135.00 139.48 1oii n PRO 203 Ca 0.15 0.48 -0.22 0.00 -0.04 0.00 0.00 63.50 63.88 1oii n PRO 203 Cb 0.36 -1.91 -0.07 0.00 -0.04 0.00 0.00 33.50 31.84 1oii n PRO 203 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1oii n ILE 204 N -2.28 1.11 0.09 0.52 2.08 -1.26 -4.75 119.36 114.87 1oii n ILE 204 Ca 0.01 -0.28 0.10 0.00 0.56 0.00 0.00 62.75 63.14 1oii n ILE 204 Cb 0.19 -1.78 -0.02 0.00 -0.75 0.00 0.00 39.64 37.28 1oii n ILE 204 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1oii n SER 205 N -3.91 0.82 0.00 4.38 3.41 -1.23 -4.95 113.62 112.14 1oii n SER 205 Ca -0.40 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1oii n SER 205 Cb 0.78 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 1oii n SER 205 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oii n GLY 206 N 1.22 1.82 3.76 5.00 0.00 -0.26 -4.98 105.19 111.75 1oii n GLY 206 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1oii n GLY 206 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oii s GLU 207 N -0.02 4.48 0.14 1.61 2.02 -1.26 -4.40 118.70 121.28 1oii s GLU 207 Ca 0.00 2.01 -0.22 0.00 0.02 0.00 0.00 54.97 56.79 1oii s GLU 207 Cb 0.00 -3.14 -0.07 0.00 0.10 0.00 0.00 34.13 31.01 1oii s GLU 207 CO 0.00 -0.03 0.68 1.03 0.02 0.00 0.00 175.26 176.96 1oii s ARG 208 N -1.38 4.36 0.01 1.61 0.52 -1.26 -0.69 118.95 122.13 1oii s ARG 208 Ca 0.48 0.93 0.00 0.00 -0.52 0.00 0.00 55.73 56.62 1oii s ARG 208 Cb -0.36 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 1oii s ARG 208 CO 0.46 0.57 -0.02 0.00 0.02 0.00 0.00 175.30 176.32 1oii s ALA 209 N -1.21 0.11 0.31 2.13 0.00 -0.12 -4.36 121.76 118.61 1oii s ALA 209 Ca 0.34 -0.37 -0.28 0.00 0.00 0.00 0.00 51.96 51.65 1oii s ALA 209 Cb -0.20 0.08 -0.10 0.00 0.00 0.00 0.00 23.12 22.90 1oii s ALA 209 CO 0.22 -0.09 1.13 -0.51 0.00 0.00 0.00 175.76 176.52 1oii s LEU 210 N -0.89 4.47 -0.46 0.00 1.43 -0.59 -0.68 118.68 121.96 1oii s LEU 210 Ca -0.09 2.32 0.04 0.00 -1.03 0.00 0.00 54.13 55.37 1oii s LEU 210 Cb -0.06 -3.71 0.12 0.00 0.03 0.00 0.00 46.19 42.57 1oii s LEU 210 CO -0.01 -0.28 0.20 -1.10 0.23 0.00 0.00 176.35 175.40 1oii s GLN 211 N -1.66 1.78 0.00 1.70 -0.21 0.58 -4.83 119.66 117.01 1oii s GLN 211 Ca 0.47 -2.36 0.00 0.00 0.02 0.00 0.00 55.36 53.49 1oii s GLN 211 Cb -0.32 -3.21 0.00 0.00 1.00 0.00 0.00 33.01 30.48 1oii s GLN 211 CO 0.42 -1.07 0.00 1.28 -2.12 0.00 0.00 175.29 173.80 1oii n LEU 212 N 3.47 0.00 0.00 2.90 4.77 -1.26 -4.66 117.00 122.22 1oii n LEU 212 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1oii n LEU 212 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1oii n LEU 212 CO 0.30 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1oii n GLY 213 N 0.19 -2.48 0.39 -0.72 0.00 -1.26 -4.45 105.19 96.84 1oii n GLY 213 Ca 0.00 -1.61 0.20 0.00 0.00 0.00 0.00 46.02 44.61 1oii n GLY 213 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1oii h HIS 214 N 0.00 0.03 -0.00 1.61 2.76 -1.34 -1.34 115.15 116.87 1oii h HIS 214 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1oii h HIS 214 Cb 0.00 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 28.95 1oii h HIS 214 CO 0.00 0.01 -0.05 1.19 -1.30 0.00 0.00 177.93 177.78 1oii n PHE 215 N -4.38 0.00 -2.09 5.26 3.72 -1.26 -4.77 117.46 113.95 1oii n PHE 215 Ca 0.10 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.08 1oii n PHE 215 Cb 0.62 -0.34 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 1oii n PHE 215 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1oii s VAL 216 N -2.73 3.30 -0.17 -4.37 1.01 -0.51 -0.63 120.40 116.29 1oii s VAL 216 Ca 0.22 0.80 -0.14 0.00 0.00 0.00 0.00 61.98 62.86 1oii s VAL 216 Cb 0.20 -3.51 -0.22 0.00 0.00 0.00 0.00 36.38 32.84 1oii s VAL 216 CO 0.50 0.02 0.26 1.17 0.00 0.00 0.00 175.10 177.05 1oii n LYS 217 N 5.02 0.66 -3.53 2.72 4.81 0.16 -4.91 118.16 123.09 1oii n LYS 217 Ca 0.14 0.42 -0.09 0.00 -0.87 0.00 0.00 58.31 57.91 1oii n LYS 217 Cb 0.42 -1.72 -0.02 0.00 0.02 0.00 0.00 35.03 33.73 1oii n LYS 217 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1oii s ARG 218 N -2.46 1.04 -0.19 1.64 1.70 -1.21 -5.01 118.95 114.47 1oii s ARG 218 Ca -0.26 -0.43 -0.18 0.00 -0.47 0.00 0.00 55.73 54.39 1oii s ARG 218 Cb 0.07 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 34.86 1oii s ARG 218 CO 0.67 -0.46 0.51 0.42 -1.08 0.00 0.00 175.30 175.36 1oii s ILE 219 N -3.35 5.11 0.19 4.99 -1.09 -1.26 -0.84 121.20 124.95 1oii s ILE 219 Ca 0.05 0.95 -0.31 0.00 -2.23 0.00 0.00 60.65 59.12 1oii s ILE 219 Cb -0.01 -3.84 -0.10 0.00 -1.58 0.00 0.00 42.46 36.93 1oii s ILE 219 CO -0.08 0.19 1.51 -1.59 -1.23 0.00 0.00 174.94 173.74 1oii s LYS 220 N 1.52 4.24 0.00 2.79 -2.85 0.16 -3.26 119.74 122.34 1oii s LYS 220 Ca 0.24 2.32 0.00 0.00 -1.00 0.00 0.00 55.97 57.53 1oii s LYS 220 Cb -0.15 -3.15 0.00 0.00 -2.06 0.00 0.00 37.83 32.47 1oii s LYS 220 CO 0.10 -0.53 0.00 0.41 0.10 0.00 0.00 175.35 175.43 1oii n GLY 221 N 3.19 0.91 3.17 0.59 0.00 -1.26 -4.68 105.19 107.10 1oii n GLY 221 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 1oii n GLY 221 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oii s TYR 222 N -2.00 1.17 1.00 1.61 1.51 -1.20 -5.11 117.35 114.32 1oii s TYR 222 Ca 0.00 -0.50 -0.11 0.00 -1.01 0.00 0.00 57.07 55.45 1oii s TYR 222 Cb 0.00 -0.65 0.19 0.00 -0.11 0.00 0.00 41.96 41.39 1oii s TYR 222 CO 0.00 0.05 1.11 -1.54 -1.11 0.00 0.00 175.55 174.05 1oii s SER 223 N -1.88 2.29 0.16 2.29 1.04 -1.26 -4.72 113.70 111.62 1oii s SER 223 Ca -0.01 1.96 -0.19 0.00 0.48 0.00 0.00 55.95 58.19 1oii s SER 223 Cb -0.09 -2.48 0.07 0.00 0.10 0.00 0.00 66.02 63.62 1oii s SER 223 CO 0.02 -3.46 1.65 0.25 0.98 0.00 0.00 173.24 172.68 1oii h LEU 224 N -2.12 -0.57 -0.33 2.42 5.85 -1.98 0.06 115.31 118.63 1oii h LEU 224 Ca -0.49 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.37 1oii h LEU 224 Cb 1.29 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.61 1oii h LEU 224 CO 0.45 -0.21 0.20 0.00 -0.34 0.00 0.00 178.44 178.54 1oii h ALA 225 N 1.13 0.42 -0.50 1.25 0.00 -1.99 -0.74 119.26 118.82 1oii h ALA 225 Ca 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1oii h ALA 225 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1oii h ALA 225 CO -0.41 -0.15 0.09 -0.44 0.00 0.00 0.00 179.25 178.34 1oii h ASP 226 N 0.41 0.78 -0.67 0.00 3.32 -1.84 -2.44 116.42 115.98 1oii h ASP 226 Ca 0.13 -0.25 0.07 0.00 0.02 0.00 0.00 57.03 57.00 1oii h ASP 226 Cb -0.01 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.27 1oii h ASP 226 CO -0.06 0.83 0.35 -1.28 -1.72 0.00 0.00 179.24 177.37 1oii h SER 227 N 0.70 0.49 -0.59 6.45 0.87 -0.79 0.93 113.55 121.61 1oii h SER 227 Ca 0.15 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1oii h SER 227 Cb 0.38 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1oii h SER 227 CO 0.01 0.31 0.25 1.56 -0.53 0.00 0.00 176.83 178.43 1oii h GLN 228 N 0.63 0.88 -0.22 2.24 4.20 -0.93 -0.71 115.11 121.19 1oii h GLN 228 Ca 0.31 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 1oii h GLN 228 Cb 0.25 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1oii h GLN 228 CO -0.21 0.73 -0.10 0.45 -0.67 0.00 0.00 178.83 179.03 1oii h HIS 229 N 0.82 0.53 -0.40 2.96 3.86 -0.91 -1.17 115.15 120.84 1oii h HIS 229 Ca 0.20 -0.13 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1oii h HIS 229 Cb 0.17 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 1oii h HIS 229 CO 0.01 0.73 0.12 -0.07 0.86 0.00 0.00 177.93 179.57 1oii h LEU 230 N 0.17 0.58 -0.24 2.43 3.38 -0.75 -1.73 115.31 119.16 1oii h LEU 230 Ca 0.05 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1oii h LEU 230 Cb 0.59 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1oii h LEU 230 CO 0.03 0.64 0.15 0.15 0.09 0.00 0.00 178.44 179.50 1oii h PHE 231 N 0.49 0.29 -0.76 1.13 3.57 -1.16 -2.28 116.94 118.22 1oii h PHE 231 Ca 0.13 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.68 1oii h PHE 231 Cb 0.27 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 1oii h PHE 231 CO 0.01 0.18 0.50 0.00 -2.23 0.00 0.00 178.31 176.77 1oii h ALA 232 N 1.09 1.59 0.35 2.41 0.00 -1.01 0.24 119.26 123.92 1oii h ALA 232 Ca 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1oii h ALA 232 Cb -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1oii h ALA 232 CO -0.02 0.32 -0.17 0.28 0.00 0.00 0.00 179.25 179.66 1oii h VAL 233 N 0.89 0.67 -0.04 0.00 2.07 -1.11 -1.08 116.25 117.65 1oii h VAL 233 Ca 0.31 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1oii h VAL 233 Cb 0.12 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1oii h VAL 233 CO -0.10 0.07 -0.09 -0.07 0.02 0.00 0.00 177.57 177.39 1oii h LEU 234 N -0.65 0.16 -1.58 2.57 3.38 -1.04 -2.65 115.31 115.49 1oii h LEU 234 Ca -0.05 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.33 1oii h LEU 234 Cb 0.46 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1oii h LEU 234 CO 0.08 0.70 0.05 -0.61 0.09 0.00 0.00 178.44 178.76 1oii h GLN 235 N -0.38 0.32 -0.23 1.13 5.75 -0.65 -1.99 115.11 119.06 1oii h GLN 235 Ca 0.00 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 1oii h GLN 235 Cb 0.68 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 1oii h GLN 235 CO 0.02 0.30 -0.02 0.78 -2.65 0.00 0.00 178.83 177.27 1oii h GLY 236 N 0.52 0.36 1.94 2.39 0.00 -1.00 -2.12 103.07 105.16 1oii h GLY 236 Ca 0.08 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 1oii h GLY 236 CO -0.00 0.18 -0.52 0.45 0.00 0.00 0.00 176.54 176.65 1oii h HIS 237 N 0.33 0.07 -0.14 5.60 3.86 -1.01 -2.36 115.15 121.51 1oii h HIS 237 Ca 0.08 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1oii h HIS 237 Cb 0.25 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1oii h HIS 237 CO 0.01 0.57 0.05 0.28 0.86 0.00 0.00 177.93 179.70 1oii h VAL 238 N 0.05 1.15 -0.02 2.45 2.07 -1.24 -3.27 116.25 117.44 1oii h VAL 238 Ca -0.00 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1oii h VAL 238 Cb 0.94 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1oii h VAL 238 CO 0.07 0.14 -0.01 0.35 0.02 0.00 0.00 177.57 178.14 1oii n THR 239 N -4.89 0.00 -1.59 2.57 -2.24 -1.00 -4.53 114.28 102.61 1oii n THR 239 Ca -0.05 -0.35 -0.49 0.00 -2.27 0.00 0.00 64.05 60.89 1oii n THR 239 Cb 0.12 0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 1oii n THR 239 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1oii n ARG 240 N 0.65 1.29 -0.22 -0.78 0.63 -0.89 -4.82 116.66 112.52 1oii n ARG 240 Ca 0.17 0.46 0.08 0.00 -0.92 0.00 0.00 57.85 57.64 1oii n ARG 240 Cb 0.46 -2.01 0.35 0.00 0.45 0.00 0.00 32.46 31.71 1oii n ARG 240 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1oii h LEU 241 N 3.77 0.68 -2.36 6.15 3.38 -1.91 0.51 115.31 125.52 1oii h LEU 241 Ca -0.44 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1oii h LEU 241 Cb 1.33 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1oii h LEU 241 CO 0.73 0.41 0.00 -0.33 0.09 0.00 0.00 178.44 179.33 1oii h GLU 242 N 0.75 0.00 -0.66 1.13 3.07 -1.96 -1.93 114.58 114.99 1oii h GLU 242 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1oii h GLU 242 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1oii h GLU 242 CO -0.14 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.56 1oii n ASN 243 N -2.83 3.98 -4.37 1.42 3.02 0.17 -4.45 115.26 112.20 1oii n ASN 243 Ca -0.02 -2.11 -0.20 0.00 -0.03 0.00 0.00 54.58 52.22 1oii n ASN 243 Cb 0.09 -0.47 -0.10 0.00 -0.61 0.00 0.00 39.78 38.68 1oii n ASN 243 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1oii s THR 244 N -1.21 1.92 -0.02 3.41 -4.23 -0.73 -0.36 115.64 114.43 1oii s THR 244 Ca 0.46 -2.20 0.02 0.00 -1.18 0.00 0.00 61.69 58.79 1oii s THR 244 Cb 0.25 -2.06 0.01 0.00 1.34 0.00 0.00 72.50 72.04 1oii s THR 244 CO 0.29 -0.50 -0.06 0.54 -0.54 0.00 0.00 174.62 174.35 1oii s VAL 245 N -2.68 0.52 -0.13 2.29 0.11 -0.27 -4.83 120.40 115.42 1oii s VAL 245 Ca 0.23 -0.22 -0.01 0.00 -2.93 0.00 0.00 61.98 59.05 1oii s VAL 245 Cb -0.03 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 1oii s VAL 245 CO 0.09 0.18 -0.11 -0.60 -3.33 0.00 0.00 175.10 171.33 1oii s ARG 246 N 0.26 3.41 -0.13 1.54 3.52 -1.26 -0.92 118.95 125.37 1oii s ARG 246 Ca -0.03 -0.64 -0.00 0.00 -0.13 0.00 0.00 55.73 54.93 1oii s ARG 246 Cb -0.07 -2.69 -0.01 0.00 -1.56 0.00 0.00 34.95 30.61 1oii s ARG 246 CO -0.00 0.25 -0.13 -0.46 -0.81 0.00 0.00 175.30 174.14 1oii s TRP 247 N 0.28 2.80 -0.36 5.12 -0.11 0.13 -4.98 118.94 121.82 1oii s TRP 247 Ca -0.08 -0.66 -0.16 0.00 1.22 0.00 0.00 56.10 56.42 1oii s TRP 247 Cb -0.15 -1.84 -0.00 0.00 -1.50 0.00 0.00 33.47 29.97 1oii s TRP 247 CO 0.05 -0.22 0.40 0.50 -4.62 0.00 0.00 176.95 173.05 1oii s ARG 248 N 0.36 3.48 0.23 5.86 3.52 -1.26 -2.09 118.95 129.05 1oii s ARG 248 Ca -0.11 -0.44 -0.30 0.00 -0.13 0.00 0.00 55.73 54.74 1oii s ARG 248 Cb -0.16 -3.84 -0.09 0.00 -1.56 0.00 0.00 34.95 29.31 1oii s ARG 248 CO 0.06 -0.60 0.94 -1.58 -0.81 0.00 0.00 175.30 173.31 1oii s TRP 249 N 2.09 3.97 0.06 5.12 0.52 -1.26 -5.07 118.94 124.38 1oii s TRP 249 Ca 0.13 1.91 0.09 0.00 0.02 0.00 0.00 56.10 58.24 1oii s TRP 249 Cb -0.16 -2.99 -0.03 0.00 -1.15 0.00 0.00 33.47 29.14 1oii s TRP 249 CO 0.12 0.44 -0.22 -1.21 0.02 0.00 0.00 176.95 176.09 1oii s GLU 250 N -1.07 1.85 0.28 4.98 2.02 -1.26 -4.83 118.70 120.68 1oii s GLU 250 Ca 0.42 -1.10 -0.29 0.00 0.02 0.00 0.00 54.97 54.02 1oii s GLU 250 Cb -0.26 -2.06 -0.14 0.00 0.10 0.00 0.00 34.13 31.77 1oii s GLU 250 CO 0.32 0.51 1.08 0.00 0.02 0.00 0.00 175.26 177.19 1oii n ALA 251 N 1.48 -0.03 -0.03 5.21 0.00 -1.26 -0.92 120.51 124.95 1oii n ALA 251 Ca -0.17 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1oii n ALA 251 Cb 0.52 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1oii n ALA 251 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oii n GLY 252 N 1.31 1.81 3.77 0.00 0.00 -0.38 -4.68 105.19 107.02 1oii n GLY 252 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1oii n GLY 252 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oii s ASP 253 N -3.23 6.86 -0.05 1.61 1.01 -0.10 -0.85 116.67 121.93 1oii s ASP 253 Ca 0.00 2.55 0.04 0.00 0.71 0.00 0.00 52.55 55.85 1oii s ASP 253 Cb 0.00 -2.64 -0.00 0.00 1.01 0.00 0.00 42.92 41.29 1oii s ASP 253 CO 0.00 -0.46 -0.17 -0.69 0.21 0.00 0.00 175.17 174.07 1oii s VAL 254 N -1.17 1.40 0.01 -1.27 1.01 0.55 -0.69 120.40 120.23 1oii s VAL 254 Ca 0.49 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.85 1oii s VAL 254 Cb -0.37 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1oii s VAL 254 CO 0.49 0.40 -0.21 0.00 0.00 0.00 0.00 175.10 175.78 1oii s ALA 255 N 0.12 2.43 -0.07 5.51 0.00 0.39 -0.83 121.76 129.32 1oii s ALA 255 Ca -0.06 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.76 1oii s ALA 255 Cb -0.12 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.35 1oii s ALA 255 CO 0.03 0.55 -0.09 0.42 0.00 0.00 0.00 175.76 176.67 1oii s ILE 256 N -0.79 0.92 0.10 0.00 1.01 -0.17 -1.00 121.20 121.27 1oii s ILE 256 Ca 0.12 -0.32 0.07 0.00 0.00 0.00 0.00 60.65 60.53 1oii s ILE 256 Cb -0.10 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 1oii s ILE 256 CO 0.02 0.32 -0.17 -1.66 0.00 0.00 0.00 174.94 173.45 1oii s TRP 257 N 1.03 1.56 -0.60 3.97 -2.14 -1.11 -0.67 118.94 120.98 1oii s TRP 257 Ca -0.08 -0.46 -0.21 0.00 2.66 0.00 0.00 56.10 58.01 1oii s TRP 257 Cb -0.14 -0.84 0.08 0.00 -3.10 0.00 0.00 33.47 29.46 1oii s TRP 257 CO -0.00 0.17 0.80 0.34 -2.66 0.00 0.00 176.95 175.60 1oii s ASP 258 N -2.06 6.20 0.00 -2.66 -1.08 0.44 -3.13 116.67 114.39 1oii s ASP 258 Ca 0.06 -1.11 0.11 0.00 -0.52 0.00 0.00 52.55 51.09 1oii s ASP 258 Cb -0.09 -2.35 0.52 0.00 -1.46 0.00 0.00 42.92 39.54 1oii s ASP 258 CO 0.04 -1.21 1.33 -3.20 0.52 0.00 0.00 175.17 172.65 1oii n ASN 259 N 6.89 0.00 0.09 -0.34 5.15 0.06 -1.71 115.26 125.40 1oii n ASN 259 Ca -0.06 0.36 0.13 0.00 -0.60 0.00 0.00 54.58 54.40 1oii n ASN 259 Cb 0.44 -0.42 0.30 0.00 -0.53 0.00 0.00 39.78 39.57 1oii n ASN 259 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1oii h ARG 260 N 0.00 0.00 0.00 1.20 3.08 -1.80 -3.37 114.38 113.50 1oii h ARG 260 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1oii h ARG 260 Cb 0.16 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.01 1oii h ARG 260 CO 0.00 0.00 -0.74 0.00 -1.07 0.00 0.00 179.97 178.16 1oii n ALA 261 N -1.82 2.45 -2.59 0.04 0.00 -0.69 -4.86 120.51 113.04 1oii n ALA 261 Ca 0.04 -2.16 -0.10 0.00 0.00 0.00 0.00 53.44 51.22 1oii n ALA 261 Cb 0.44 -0.59 -0.08 0.00 0.00 0.00 0.00 19.45 19.22 1oii n ALA 261 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1oii s THR 262 N -0.71 0.02 0.30 0.00 -4.23 -1.14 -1.32 115.64 108.56 1oii s THR 262 Ca 0.25 -1.71 0.04 0.00 -1.18 0.00 0.00 61.69 59.10 1oii s THR 262 Cb 0.28 -2.26 -0.06 0.00 1.34 0.00 0.00 72.50 71.79 1oii s THR 262 CO -0.09 -0.09 0.02 -1.10 -0.54 0.00 0.00 174.62 172.81 1oii s GLN 263 N -4.07 1.57 0.17 3.99 -0.21 -0.95 -4.58 119.66 115.57 1oii s GLN 263 Ca 0.29 -1.84 -0.10 0.00 0.02 0.00 0.00 55.36 53.74 1oii s GLN 263 Cb 0.04 -0.90 -0.00 0.00 1.00 0.00 0.00 33.01 33.14 1oii s GLN 263 CO 0.08 -0.11 0.31 -3.38 -2.12 0.00 0.00 175.29 170.08 1oii s HIS 264 N -3.24 0.35 -0.14 0.91 -3.43 -0.38 -0.86 115.29 108.50 1oii s HIS 264 Ca 0.33 -0.71 -0.07 0.00 -0.80 0.00 0.00 55.06 53.81 1oii s HIS 264 Cb 0.07 -0.01 0.06 0.00 -1.43 0.00 0.00 32.58 31.27 1oii s HIS 264 CO 0.13 -0.75 0.34 -0.47 -2.00 0.00 0.00 174.74 171.99 1oii s TYR 265 N -3.96 -0.49 -0.27 0.38 6.14 -0.02 -2.22 117.35 116.92 1oii s TYR 265 Ca 0.17 1.08 -0.16 0.00 0.64 0.00 0.00 57.07 58.79 1oii s TYR 265 Cb 0.03 0.16 -0.03 0.00 0.42 0.00 0.00 41.96 42.54 1oii s TYR 265 CO 0.00 -0.31 0.42 0.00 0.64 0.00 0.00 175.55 176.31 1oii s ALA 266 N 1.45 3.57 -0.09 3.97 0.00 -0.19 -0.96 121.76 129.52 1oii s ALA 266 Ca -0.09 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 1oii s ALA 266 Cb -0.10 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 1oii s ALA 266 CO -0.11 -0.68 1.08 0.08 0.00 0.00 0.00 175.76 176.13 1oii s VAL 267 N 2.15 4.59 -1.01 0.00 1.01 -0.27 -3.07 120.40 123.80 1oii s VAL 267 Ca 0.17 1.88 -0.03 0.00 0.00 0.00 0.00 61.98 64.00 1oii s VAL 267 Cb -0.16 -4.21 0.30 0.00 0.00 0.00 0.00 36.38 32.31 1oii s VAL 267 CO 0.10 0.00 1.34 -0.67 0.00 0.00 0.00 175.10 175.87 1oii n ASP 268 N 5.06 5.92 -0.06 3.32 2.03 -1.26 -4.17 116.55 127.38 1oii n ASP 268 Ca 0.10 -3.40 0.06 0.00 0.52 0.00 0.00 54.79 52.07 1oii n ASP 268 Cb 0.48 -1.17 0.09 0.00 -0.72 0.00 0.00 41.12 39.79 1oii n ASP 268 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1oii n ASP 269 N 1.32 2.10 -0.47 1.67 5.75 -1.26 -4.77 116.55 120.88 1oii n ASP 269 Ca 0.26 -2.66 0.05 0.00 -0.01 0.00 0.00 54.79 52.44 1oii n ASP 269 Cb 0.35 -0.28 0.07 0.00 -1.03 0.00 0.00 41.12 40.23 1oii n ASP 269 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1oii n TYR 270 N -1.05 0.11 0.00 2.11 0.18 -1.26 -4.77 117.16 112.48 1oii n TYR 270 Ca 0.10 -0.12 0.00 0.00 1.88 0.00 0.00 57.90 59.75 1oii n TYR 270 Cb 0.52 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.47 1oii n TYR 270 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1oii n GLY 271 N 0.57 3.98 1.01 -7.48 0.00 -1.26 -2.19 105.19 99.82 1oii n GLY 271 Ca 0.07 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1oii n GLY 271 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1oii n THR 272 N 0.00 0.34 -1.68 2.61 -2.24 -1.26 -4.91 114.28 107.14 1oii n THR 272 Ca 0.00 -0.62 -0.48 0.00 -2.27 0.00 0.00 64.05 60.68 1oii n THR 272 Cb 0.00 0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 1oii n THR 272 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oii n GLN 273 N 1.25 2.21 -1.76 -0.78 6.02 -0.93 -4.91 117.38 118.48 1oii n GLN 273 Ca 0.18 0.81 -0.40 0.00 -0.01 0.00 0.00 57.00 57.58 1oii n GLN 273 Cb 0.56 -2.64 0.02 0.00 1.02 0.00 0.00 30.24 29.20 1oii n GLN 273 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1oii n PRO 274 N 6.00 2.19 -3.68 -1.09 -0.02 -1.26 -4.85 135.00 132.28 1oii n PRO 274 Ca 0.21 0.78 -0.15 0.00 -2.02 0.00 0.00 63.50 62.32 1oii n PRO 274 Cb 0.30 -2.61 -0.15 0.00 -0.02 0.00 0.00 33.50 31.02 1oii n PRO 274 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1oii s ARG 275 N -2.47 0.07 -0.06 -0.52 3.52 -1.26 -3.57 118.95 114.65 1oii s ARG 275 Ca 0.62 0.58 0.00 0.00 -0.13 0.00 0.00 55.73 56.80 1oii s ARG 275 Cb -0.45 -0.20 0.02 0.00 -1.56 0.00 0.00 34.95 32.76 1oii s ARG 275 CO 0.57 -0.28 -0.03 0.42 -0.81 0.00 0.00 175.30 175.16 1oii s ILE 276 N 2.14 0.56 0.10 4.11 1.01 -0.55 -4.34 121.20 124.23 1oii s ILE 276 Ca 0.01 -0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.65 1oii s ILE 276 Cb -0.12 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 1oii s ILE 276 CO -0.06 0.26 -0.14 0.68 0.00 0.00 0.00 174.94 175.68 1oii s VAL 277 N 1.40 1.22 -0.03 2.92 -7.23 -0.77 -0.39 120.40 117.53 1oii s VAL 277 Ca -0.03 -1.58 0.04 0.00 -1.81 0.00 0.00 61.98 58.60 1oii s VAL 277 Cb -0.13 -1.37 -0.00 0.00 0.56 0.00 0.00 36.38 35.43 1oii s VAL 277 CO -0.03 -0.37 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.11 1oii s ARG 278 N -2.39 1.54 -0.03 4.82 0.52 -0.07 -0.56 118.95 122.78 1oii s ARG 278 Ca 0.05 -0.55 0.04 0.00 -0.52 0.00 0.00 55.73 54.75 1oii s ARG 278 Cb -0.06 -1.38 -0.00 0.00 0.52 0.00 0.00 34.95 34.02 1oii s ARG 278 CO 0.02 0.25 -0.14 0.50 0.02 0.00 0.00 175.30 175.95 1oii s ARG 279 N -0.04 1.39 -0.08 3.54 3.52 0.68 -0.62 118.95 127.35 1oii s ARG 279 Ca -0.01 -0.51 0.05 0.00 -0.13 0.00 0.00 55.73 55.12 1oii s ARG 279 Cb -0.10 -1.27 -0.01 0.00 -1.56 0.00 0.00 34.95 32.01 1oii s ARG 279 CO 0.01 0.24 -0.23 0.08 -0.81 0.00 0.00 175.30 174.59 1oii s VAL 280 N -0.05 2.23 -0.09 7.11 1.01 -0.14 -0.48 120.40 129.99 1oii s VAL 280 Ca -0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1oii s VAL 280 Cb -0.09 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1oii s VAL 280 CO 0.01 0.56 -0.03 -0.89 0.00 0.00 0.00 175.10 174.75 1oii s THR 281 N 0.03 4.05 -0.14 3.92 2.01 -1.26 -0.51 115.64 123.74 1oii s THR 281 Ca -0.09 -0.34 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 1oii s THR 281 Cb -0.15 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 1oii s THR 281 CO 0.06 0.59 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.80 1oii s LEU 282 N -0.67 3.46 0.26 4.42 1.43 -0.45 -1.11 118.68 126.02 1oii s LEU 282 Ca 0.10 0.00 -0.31 0.00 -1.03 0.00 0.00 54.13 52.90 1oii s LEU 282 Cb -0.12 -1.83 -0.13 0.00 0.03 0.00 0.00 46.19 44.15 1oii s LEU 282 CO 0.02 0.24 1.39 0.00 0.23 0.00 0.00 176.35 178.24 1oii n ALA 283 N 3.05 1.21 -2.44 4.21 0.00 -0.20 -1.28 120.51 125.07 1oii n ALA 283 Ca -0.18 0.40 -0.27 0.00 0.00 0.00 0.00 53.44 53.39 1oii n ALA 283 Cb 0.53 -2.28 -0.01 0.00 0.00 0.00 0.00 19.45 17.69 1oii n ALA 283 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1oii s GLY 284 N 0.20 2.46 0.43 0.00 0.00 -1.18 -4.11 107.32 105.12 1oii s GLY 284 Ca 0.66 -1.05 0.08 0.00 0.00 0.00 0.00 44.72 44.41 1oii s GLY 284 CO 0.52 -1.99 0.55 -0.54 0.00 0.00 0.00 173.10 171.64 1oii s GLU 285 N -4.27 2.76 0.04 2.90 8.01 -1.26 -4.70 118.70 122.17 1oii s GLU 285 Ca 0.29 -1.31 -0.30 0.00 0.01 0.00 0.00 54.97 53.66 1oii s GLU 285 Cb -0.02 -2.69 -0.06 0.00 -4.31 0.00 0.00 34.13 27.05 1oii s GLU 285 CO 0.19 -0.28 1.29 0.08 0.01 0.00 0.00 175.26 176.55 1oii s VAL 286 N -2.38 3.83 0.46 2.63 1.01 -1.26 -4.17 120.40 120.52 1oii s VAL 286 Ca 0.54 1.27 -0.24 0.00 0.00 0.00 0.00 61.98 63.55 1oii s VAL 286 Cb -0.09 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 1oii s VAL 286 CO 0.32 0.05 1.36 -2.84 0.00 0.00 0.00 175.10 173.99 1oii s PRO 287 N 1.64 3.65 -0.14 2.72 0.02 -1.26 -4.89 135.00 136.73 1oii s PRO 287 Ca 0.61 2.25 -0.00 0.00 0.02 0.00 0.00 61.00 63.88 1oii s PRO 287 Cb -0.31 -2.57 -0.01 0.00 0.02 0.00 0.00 34.50 31.63 1oii s PRO 287 CO 0.27 -0.79 -0.13 0.08 -0.33 0.00 0.00 177.00 176.11 1oii s VAL 288 N -1.27 3.01 0.95 3.83 1.01 -1.26 -2.56 120.40 124.11 1oii s VAL 288 Ca 0.62 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.80 1oii s VAL 288 Cb -0.40 -2.28 0.16 0.00 0.00 0.00 0.00 36.38 33.87 1oii s VAL 288 CO 0.51 0.51 1.17 -0.83 0.00 0.00 0.00 175.10 176.46 1oii s GLY 289 N 0.54 1.61 0.50 4.51 0.00 0.88 -0.95 107.32 114.42 1oii s GLY 289 Ca -0.08 -0.71 0.17 0.00 0.00 0.00 0.00 44.72 44.09 1oii s GLY 289 CO 0.04 -0.08 2.09 -2.08 0.00 0.00 0.00 173.10 173.07 1oii h VAL 290 N -1.63 0.95 -0.50 1.40 2.07 -1.84 -1.48 116.25 115.22 1oii h VAL 290 Ca -0.48 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1oii h VAL 290 Cb 1.31 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1oii h VAL 290 CO 0.54 0.02 0.00 -0.90 0.02 0.00 0.00 177.57 177.25 1oii n ASP 291 N -4.49 2.82 0.00 0.57 5.75 -1.26 -4.93 116.55 115.01 1oii n ASP 291 Ca 0.01 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 1oii n ASP 291 Cb 0.22 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 1oii n ASP 291 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1oii n GLY 292 N 1.23 1.23 3.78 6.12 0.00 -0.56 -5.04 105.19 111.95 1oii n GLY 292 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1oii n GLY 292 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1oii s GLN 293 N -0.24 3.18 0.06 1.61 -0.21 -1.26 -4.71 119.66 118.08 1oii s GLN 293 Ca 0.00 1.46 0.05 0.00 0.02 0.00 0.00 55.36 56.89 1oii s GLN 293 Cb 0.00 -2.00 -0.04 0.00 1.00 0.00 0.00 33.01 31.98 1oii s GLN 293 CO 0.00 -0.96 -0.05 -0.51 -2.12 0.00 0.00 175.29 171.65 1oii s LEU 294 N -4.24 3.24 0.92 2.90 1.43 -1.26 -0.08 118.68 121.58 1oii s LEU 294 Ca 0.69 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 1oii s LEU 294 Cb -0.21 -1.94 0.12 0.00 0.03 0.00 0.00 46.19 44.19 1oii s LEU 294 CO 0.33 0.22 1.01 -1.20 0.23 0.00 0.00 176.35 176.94 1oii n SER 295 N 1.03 -0.09 -3.71 2.29 7.64 -1.06 -4.95 113.62 114.76 1oii n SER 295 Ca -0.13 0.42 -0.13 0.00 1.01 0.00 0.00 58.87 60.04 1oii n SER 295 Cb 0.52 -1.43 -0.10 0.00 -1.01 0.00 0.00 64.21 62.20 1oii n SER 295 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oii s ARG 296 N -4.40 0.51 0.20 1.43 1.70 -0.53 -4.93 118.95 112.92 1oii s ARG 296 Ca 0.65 0.68 -0.30 0.00 -0.47 0.00 0.00 55.73 56.29 1oii s ARG 296 Cb -0.23 0.20 -0.08 0.00 -0.57 0.00 0.00 34.95 34.27 1oii s ARG 296 CO 0.59 -0.08 1.11 0.99 -1.08 0.00 0.00 175.30 176.83 1oii s THR 297 N 0.50 3.76 -0.16 4.99 2.01 -1.26 -1.02 115.64 124.47 1oii s THR 297 Ca -0.02 1.56 0.04 0.00 0.31 0.00 0.00 61.69 63.58 1oii s THR 297 Cb -0.04 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 1oii s THR 297 CO -0.03 0.29 0.16 0.35 -0.69 0.00 0.00 174.62 174.70 1oii n THR 298 N 2.16 0.00 -3.81 -0.82 -2.24 0.07 -4.94 114.28 104.71 1oii n THR 298 Ca 0.02 -0.35 -0.12 0.00 -2.27 0.00 0.00 64.05 61.32 1oii n THR 298 Cb 0.46 0.90 -0.12 0.00 -2.10 0.00 0.00 70.33 69.47 1oii n THR 298 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1oii s ARG 299 N -1.53 0.23 0.00 -0.78 3.52 -1.16 -4.98 118.95 114.26 1oii s ARG 299 Ca 0.01 0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.83 1oii s ARG 299 Cb 0.03 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.53 1oii s ARG 299 CO 0.17 -0.03 0.00 1.63 -0.81 0.00 0.00 175.30 176.25