#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qlb s LYS 2 N 0.00 3.75 -0.04 2.12 1.02 -1.26 -5.08 119.74 120.25 1qlb s LYS 2 Ca 0.00 -0.43 0.03 0.00 0.02 0.00 0.00 55.97 55.58 1qlb s LYS 2 Cb 0.00 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1qlb s LYS 2 CO 0.00 -0.07 -0.10 0.08 -0.92 0.00 0.00 175.35 174.33 1qlb s VAL 3 N 1.32 0.92 -0.07 3.17 1.01 -1.26 -2.13 120.40 123.34 1qlb s VAL 3 Ca 0.05 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1qlb s VAL 3 Cb -0.15 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 1qlb s VAL 3 CO 0.04 0.29 -0.22 -1.10 0.00 0.00 0.00 175.10 174.11 1qlb s GLN 4 N 0.29 2.71 0.10 2.72 -1.52 -0.09 -4.99 119.66 118.87 1qlb s GLN 4 Ca -0.05 -0.85 0.09 0.00 -1.95 0.00 0.00 55.36 52.60 1qlb s GLN 4 Cb -0.10 -2.27 -0.04 0.00 -0.22 0.00 0.00 33.01 30.38 1qlb s GLN 4 CO 0.01 0.37 -0.23 -0.47 -0.25 0.00 0.00 175.29 174.72 1qlb s TYR 5 N -0.12 2.42 0.17 0.91 6.14 -1.26 -0.67 117.35 124.93 1qlb s TYR 5 Ca -0.04 -0.33 -0.19 0.00 0.64 0.00 0.00 57.07 57.15 1qlb s TYR 5 Cb -0.14 -1.34 0.04 0.00 0.42 0.00 0.00 41.96 40.95 1qlb s TYR 5 CO 0.04 0.30 0.52 0.00 0.64 0.00 0.00 175.55 177.05 1qlb h ASP 7 N 2.17 0.71 -3.24 0.00 3.32 -1.28 -3.33 116.42 114.78 1qlb h ASP 7 Ca -0.31 -0.59 -0.50 0.00 0.02 0.00 0.00 57.03 55.64 1qlb h ASP 7 Cb 1.27 -0.22 -0.38 0.00 0.22 0.00 0.00 39.33 40.23 1qlb h ASP 7 CO 0.40 1.40 -0.78 -0.44 -1.72 0.00 0.00 179.24 178.09 1qlb s SER 8 N -7.21 2.17 -0.26 6.45 0.01 -0.64 -2.23 113.70 111.99 1qlb s SER 8 Ca -0.08 -0.35 -0.10 0.00 1.31 0.00 0.00 55.95 56.74 1qlb s SER 8 Cb 0.08 -0.70 -0.05 0.00 0.21 0.00 0.00 66.02 65.56 1qlb s SER 8 CO 0.90 -0.17 0.15 -0.22 0.41 0.00 0.00 173.24 174.30 1qlb s LEU 9 N 1.80 3.92 -0.16 2.44 0.20 -0.55 -2.28 118.68 124.05 1qlb s LEU 9 Ca 0.04 -0.01 -0.01 0.00 0.69 0.00 0.00 54.13 54.83 1qlb s LEU 9 Cb -0.13 -2.07 -0.01 0.00 -0.43 0.00 0.00 46.19 43.55 1qlb s LEU 9 CO -0.07 -0.00 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.19 1qlb s VAL 10 N 1.45 3.11 -0.40 1.68 1.01 0.11 -0.66 120.40 126.69 1qlb s VAL 10 Ca 0.07 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 1qlb s VAL 10 Cb -0.15 -2.34 0.07 0.00 0.00 0.00 0.00 36.38 33.96 1qlb s VAL 10 CO 0.07 0.49 0.23 -0.63 0.00 0.00 0.00 175.10 175.27 1qlb s ILE 11 N 0.77 4.16 0.00 2.22 1.01 0.97 -0.43 121.20 129.90 1qlb s ILE 11 Ca -0.04 -1.35 0.00 0.00 0.00 0.00 0.00 60.65 59.26 1qlb s ILE 11 Cb -0.15 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1qlb s ILE 11 CO 0.01 -0.45 0.00 0.61 0.00 0.00 0.00 174.94 175.11 1qlb n GLY 12 N 4.90 3.69 2.09 6.18 0.00 0.74 -0.27 105.19 122.52 1qlb n GLY 12 Ca -0.10 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.61 1qlb n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qlb n GLY 13 N 0.00 5.75 0.00 -0.02 0.00 -1.24 -4.17 105.19 105.51 1qlb n GLY 13 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1qlb n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qlb n GLY 14 N -0.92 0.81 0.32 -0.02 0.00 -1.26 -4.62 105.19 99.50 1qlb n GLY 14 Ca 0.54 -1.92 -0.02 0.00 0.00 0.00 0.00 46.02 44.62 1qlb n GLY 14 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qlb h LEU 15 N 0.00 0.89 -0.08 0.99 3.38 -1.93 -1.08 115.31 117.48 1qlb h LEU 15 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1qlb h LEU 15 Cb 0.00 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1qlb h LEU 15 CO 0.00 0.62 -0.06 0.00 0.09 0.00 0.00 178.44 179.09 1qlb h ALA 16 N 1.34 0.12 -0.31 1.53 0.00 -1.91 -2.08 119.26 117.94 1qlb h ALA 16 Ca 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1qlb h ALA 16 Cb -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1qlb h ALA 16 CO -0.11 -0.09 0.15 0.78 0.00 0.00 0.00 179.25 179.98 1qlb h GLY 17 N -0.22 0.49 1.22 0.00 0.00 -1.70 -1.84 103.07 101.02 1qlb h GLY 17 Ca 0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 1qlb h GLY 17 CO 0.02 0.23 -0.05 1.41 0.00 0.00 0.00 176.54 178.15 1qlb h LEU 18 N 0.37 0.92 -0.95 3.11 3.38 -1.27 -1.71 115.31 119.15 1qlb h LEU 18 Ca 0.11 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1qlb h LEU 18 Cb 0.13 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1qlb h LEU 18 CO -0.01 1.00 -0.43 -0.09 0.09 0.00 0.00 178.44 179.00 1qlb h ARG 19 N 0.85 0.20 -0.10 1.13 9.65 -1.28 -2.03 114.38 122.79 1qlb h ARG 19 Ca 0.15 -0.10 -0.17 0.00 -1.10 0.00 0.00 59.98 58.76 1qlb h ARG 19 Cb 0.57 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 1qlb h ARG 19 CO 0.03 0.59 -0.66 0.00 2.80 0.00 0.00 179.97 182.74 1qlb h ALA 20 N 1.40 0.68 -0.17 2.80 0.00 -1.13 -2.77 119.26 120.07 1qlb h ALA 20 Ca 0.01 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 1qlb h ALA 20 Cb 0.83 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1qlb h ALA 20 CO 0.06 0.74 -0.23 0.00 0.00 0.00 0.00 179.25 179.82 1qlb h ALA 21 N 1.01 1.29 -0.23 0.00 0.00 -0.92 -2.26 119.26 118.15 1qlb h ALA 21 Ca -0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1qlb h ALA 21 Cb 1.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1qlb h ALA 21 CO 0.11 0.47 0.01 0.28 0.00 0.00 0.00 179.25 180.12 1qlb h VAL 22 N 0.28 1.25 -0.75 0.00 2.07 -1.24 -0.62 116.25 117.24 1qlb h VAL 22 Ca 0.05 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.75 1qlb h VAL 22 Cb 0.57 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 1qlb h VAL 22 CO 0.04 0.27 0.45 0.00 0.02 0.00 0.00 177.57 178.35 1qlb h ALA 23 N 0.81 1.02 0.09 1.67 0.00 -1.18 -0.67 119.26 121.00 1qlb h ALA 23 Ca 0.07 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 1qlb h ALA 23 Cb 0.39 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.02 1qlb h ALA 23 CO 0.01 0.17 -0.92 1.79 0.00 0.00 0.00 179.25 180.30 1qlb h THR 24 N 0.83 1.39 -0.36 0.00 1.35 -1.36 -3.32 112.91 111.44 1qlb h THR 24 Ca 0.33 -2.36 -0.06 0.00 -0.55 0.00 0.00 66.41 63.77 1qlb h THR 24 Cb 0.15 2.80 -0.02 0.00 -1.73 0.00 0.00 68.15 69.35 1qlb h THR 24 CO -0.17 0.69 -0.04 -0.61 -0.25 0.00 0.00 175.52 175.15 1qlb h GLN 25 N -0.02 0.59 0.00 4.72 5.75 -1.00 -2.39 115.11 122.75 1qlb h GLN 25 Ca -0.14 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.21 1qlb h GLN 25 Cb 1.65 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 30.13 1qlb h GLN 25 CO 0.18 0.64 0.00 0.00 -2.65 0.00 0.00 178.83 177.00 1qlb n GLN 26 N -4.24 0.12 -0.76 1.69 10.64 -0.27 -1.86 117.38 122.70 1qlb n GLN 26 Ca 0.01 0.45 -0.03 0.00 -1.83 0.00 0.00 57.00 55.61 1qlb n GLN 26 Cb 0.28 -1.77 0.23 0.00 -0.86 0.00 0.00 30.24 28.12 1qlb n GLN 26 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 1qlb n LYS 27 N -2.01 2.44 -0.95 2.61 2.85 -0.92 -4.95 118.16 117.23 1qlb n LYS 27 Ca 0.01 -3.05 0.00 0.00 -1.05 0.00 0.00 58.31 54.22 1qlb n LYS 27 Cb 0.14 -1.91 0.00 0.00 -0.65 0.00 0.00 35.03 32.61 1qlb n LYS 27 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1qlb n GLY 28 N -0.82 0.79 3.68 2.58 0.00 -0.77 -5.00 105.19 105.64 1qlb n GLY 28 Ca 0.33 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.93 1qlb n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qlb s LEU 29 N 0.00 4.21 0.12 0.99 1.43 -1.07 -4.98 118.68 119.38 1qlb s LEU 29 Ca 0.00 1.53 -0.31 0.00 -1.03 0.00 0.00 54.13 54.32 1qlb s LEU 29 Cb 0.00 -3.55 -0.09 0.00 0.03 0.00 0.00 46.19 42.58 1qlb s LEU 29 CO 0.00 -0.54 1.52 -0.94 0.23 0.00 0.00 176.35 176.62 1qlb s SER 30 N 1.21 6.68 0.01 2.29 1.04 -1.26 -3.97 113.70 119.70 1qlb s SER 30 Ca 0.48 2.46 0.03 0.00 0.48 0.00 0.00 55.95 59.40 1qlb s SER 30 Cb -0.18 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.34 1qlb s SER 30 CO 0.15 -0.78 -0.10 0.42 0.98 0.00 0.00 173.24 173.91 1qlb s THR 31 N 1.56 0.76 -0.05 2.02 -4.23 -1.26 -0.82 115.64 113.62 1qlb s THR 31 Ca 0.69 -0.60 0.06 0.00 -1.18 0.00 0.00 61.69 60.66 1qlb s THR 31 Cb -0.40 -0.67 -0.01 0.00 1.34 0.00 0.00 72.50 72.76 1qlb s THR 31 CO 0.31 0.08 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.60 1qlb s ILE 32 N -0.49 2.22 -0.21 2.99 1.01 -0.96 -1.78 121.20 123.97 1qlb s ILE 32 Ca 0.01 -1.02 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 1qlb s ILE 32 Cb -0.05 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 1qlb s ILE 32 CO 0.00 0.57 -0.04 -0.69 0.00 0.00 0.00 174.94 174.78 1qlb s VAL 33 N -0.29 3.51 -0.10 2.92 1.01 0.55 -0.71 120.40 127.28 1qlb s VAL 33 Ca 0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 1qlb s VAL 33 Cb -0.13 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1qlb s VAL 33 CO 0.02 0.43 0.13 -0.76 0.00 0.00 0.00 175.10 174.93 1qlb s LEU 34 N 1.24 4.30 -0.09 3.92 1.43 0.43 -1.10 118.68 128.82 1qlb s LEU 34 Ca 0.03 0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 53.37 1qlb s LEU 34 Cb -0.14 -2.10 0.04 0.00 0.03 0.00 0.00 46.19 44.01 1qlb s LEU 34 CO -0.01 0.39 0.44 -0.55 0.23 0.00 0.00 176.35 176.85 1qlb s SER 35 N -1.12 -0.40 0.29 2.29 0.15 -0.98 -0.18 113.70 113.75 1qlb s SER 35 Ca 0.16 0.55 0.01 0.00 0.70 0.00 0.00 55.95 57.38 1qlb s SER 35 Cb -0.12 0.62 0.43 0.00 -1.71 0.00 0.00 66.02 65.24 1qlb s SER 35 CO 0.05 -0.35 1.77 -0.07 1.20 0.00 0.00 173.24 175.84 1qlb h LEU 36 N 4.37 0.57 -8.84 3.45 3.38 -1.88 0.69 115.31 117.04 1qlb h LEU 36 Ca -0.28 -0.16 -0.34 0.00 0.09 0.00 0.00 57.88 57.20 1qlb h LEU 36 Cb 1.17 -0.15 -0.14 0.00 0.09 0.00 0.00 40.66 41.62 1qlb h LEU 36 CO 0.32 0.72 -0.62 0.27 0.09 0.00 0.00 178.44 179.22 1qlb s ILE 37 N -4.75 0.56 0.22 1.22 -4.36 -1.26 -2.33 121.20 110.51 1qlb s ILE 37 Ca -0.08 -2.00 -0.32 0.00 -0.26 0.00 0.00 60.65 58.00 1qlb s ILE 37 Cb 0.14 -2.55 -0.13 0.00 1.25 0.00 0.00 42.46 41.17 1qlb s ILE 37 CO 0.79 -0.08 1.44 -2.65 0.24 0.00 0.00 174.94 174.68 1qlb n PRO 38 N -0.42 2.06 -0.11 0.37 -0.02 -1.26 -4.61 135.00 131.01 1qlb n PRO 38 Ca -0.01 0.74 0.18 0.00 -2.02 0.00 0.00 63.50 62.39 1qlb n PRO 38 Cb 0.66 -2.42 0.59 0.00 -0.02 0.00 0.00 33.50 32.31 1qlb n PRO 38 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1qlb h VAL 39 N 3.16 0.75 0.00 -1.45 -1.51 -1.96 -1.67 116.25 113.58 1qlb h VAL 39 Ca -0.45 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1qlb h VAL 39 Cb 1.27 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1qlb h VAL 39 CO 0.78 0.04 0.00 0.29 -1.23 0.00 0.00 177.57 177.46 1qlb n LYS 40 N -4.43 0.60 -0.14 5.19 5.02 -1.26 -2.10 118.16 121.04 1qlb n LYS 40 Ca 0.13 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.49 1qlb n LYS 40 Cb 0.59 -1.45 0.14 0.00 -0.02 0.00 0.00 35.03 34.30 1qlb n LYS 40 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qlb n ARG 41 N -0.95 2.10 -0.67 1.97 1.74 -0.63 -4.84 116.66 115.39 1qlb n ARG 41 Ca 0.13 -1.86 -0.31 0.00 -0.77 0.00 0.00 57.85 55.04 1qlb n ARG 41 Cb 0.06 -1.31 0.17 0.00 -1.02 0.00 0.00 32.46 30.36 1qlb n ARG 41 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1qlb n SER 42 N 0.79 -0.09 0.29 0.55 7.64 -0.89 -4.86 113.62 117.04 1qlb n SER 42 Ca 0.12 0.37 0.17 0.00 1.01 0.00 0.00 58.87 60.54 1qlb n SER 42 Cb 0.43 -1.43 0.97 0.00 -1.01 0.00 0.00 64.21 63.17 1qlb n SER 42 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1qlb h HIS 43 N -1.93 0.00 -0.44 1.43 2.76 -1.95 -1.68 115.15 113.34 1qlb h HIS 43 Ca -0.44 0.00 0.13 0.00 -2.20 0.00 0.00 60.37 57.85 1qlb h HIS 43 Cb 1.28 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.22 1qlb h HIS 43 CO 0.47 0.00 0.32 0.77 -1.30 0.00 0.00 177.93 178.19 1qlb h SER 44 N 0.00 0.00 0.48 3.26 0.02 -1.93 -1.05 113.55 114.33 1qlb h SER 44 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1qlb h SER 44 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1qlb h SER 44 CO -0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1qlb h ALA 45 N 1.78 1.00 0.00 3.77 0.00 -1.49 -2.80 119.26 121.52 1qlb h ALA 45 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1qlb h ALA 45 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1qlb h ALA 45 CO -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 179.25 179.00 1qlb n ALA 46 N -1.84 2.90 -1.66 0.00 0.00 -0.40 -2.97 120.51 116.53 1qlb n ALA 46 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1qlb n ALA 46 Cb 0.17 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 1qlb n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qlb s ALA 47 N -3.01 3.51 -0.02 0.00 0.00 -1.06 -4.84 121.76 116.35 1qlb s ALA 47 Ca 0.12 1.29 0.01 0.00 0.00 0.00 0.00 51.96 53.38 1qlb s ALA 47 Cb 0.18 -3.87 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 1qlb s ALA 47 CO 0.61 -1.67 0.02 1.04 0.00 0.00 0.00 175.76 175.76 1qlb n GLN 48 N 7.65 4.54 0.05 0.00 6.02 -1.26 -0.36 117.38 134.01 1qlb n GLN 48 Ca 0.21 -0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.08 1qlb n GLN 48 Cb 0.41 -0.69 -0.09 0.00 1.02 0.00 0.00 30.24 30.90 1qlb n GLN 48 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1qlb h GLY 49 N 0.12 -0.19 0.00 1.08 0.00 -1.92 -3.44 103.07 98.72 1qlb h GLY 49 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1qlb h GLY 49 CO 0.00 -0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.08 1qlb n GLY 50 N 0.40 0.98 3.27 4.60 0.00 -1.26 -4.86 105.19 108.33 1qlb n GLY 50 Ca -0.08 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 1qlb n GLY 50 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1qlb s MET 51 N -1.29 2.85 -0.15 1.61 1.75 0.26 -4.50 119.30 119.83 1qlb s MET 51 Ca 0.00 -0.86 -0.25 0.00 -1.25 0.00 0.00 55.69 53.33 1qlb s MET 51 Cb 0.00 -2.28 -0.02 0.00 2.84 0.00 0.00 34.83 35.37 1qlb s MET 51 CO 0.00 0.29 0.80 -1.14 -0.65 0.00 0.00 175.02 174.33 1qlb s GLN 52 N 0.07 4.33 -0.28 4.11 2.00 -0.05 0.50 119.66 130.33 1qlb s GLN 52 Ca -0.10 0.99 -0.16 0.00 -2.00 0.00 0.00 55.36 54.08 1qlb s GLN 52 Cb -0.16 -3.55 0.09 0.00 0.80 0.00 0.00 33.01 30.20 1qlb s GLN 52 CO 0.06 -0.25 0.74 0.00 -0.50 0.00 0.00 175.29 175.34 1qlb s ALA 53 N 1.86 -1.94 -1.24 1.58 0.00 -0.85 -4.88 121.76 116.30 1qlb s ALA 53 Ca 0.38 2.37 -0.17 0.00 0.00 0.00 0.00 51.96 54.55 1qlb s ALA 53 Cb -0.17 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.46 1qlb s ALA 53 CO 0.14 -0.37 2.10 -1.13 0.00 0.00 0.00 175.76 176.49 1qlb n SER 54 N 4.15 3.52 -0.01 0.00 3.41 -1.26 -4.69 113.62 118.74 1qlb n SER 54 Ca -0.20 -2.79 -0.17 0.00 -0.26 0.00 0.00 58.87 55.45 1qlb n SER 54 Cb 0.59 -1.51 -0.09 0.00 -0.26 0.00 0.00 64.21 62.94 1qlb n SER 54 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1qlb h LEU 55 N 11.52 0.74 0.46 1.04 3.38 -1.88 -3.42 115.31 127.14 1qlb h LEU 55 Ca 0.51 -0.68 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 1qlb h LEU 55 Cb 0.67 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1qlb h LEU 55 CO 1.86 1.30 -0.10 0.61 0.09 0.00 0.00 178.44 182.20 1qlb n GLY 56 N 0.83 0.44 0.15 0.83 0.00 -1.26 -4.58 105.19 101.60 1qlb n GLY 56 Ca -0.09 -0.77 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 1qlb n GLY 56 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1qlb h ASN 57 N 0.00 -0.22 -4.30 1.61 -0.26 -1.84 -3.41 115.58 107.16 1qlb h ASN 57 Ca -0.10 -0.07 -0.49 0.00 -0.56 0.00 0.00 56.30 55.08 1qlb h ASN 57 Cb 0.72 0.06 0.11 0.00 -1.06 0.00 0.00 38.32 38.14 1qlb h ASN 57 CO 0.13 0.27 0.34 -0.94 -1.06 0.00 0.00 177.43 176.18 1qlb s SER 58 N -5.30 4.52 0.17 5.81 1.04 -1.26 -4.84 113.70 113.86 1qlb s SER 58 Ca -0.06 1.28 -0.15 0.00 0.48 0.00 0.00 55.95 57.51 1qlb s SER 58 Cb 0.00 -2.01 0.14 0.00 0.10 0.00 0.00 66.02 64.25 1qlb s SER 58 CO 0.18 -1.95 1.70 0.50 0.98 0.00 0.00 173.24 174.66 1qlb h LYS 59 N -1.07 0.14 0.00 4.02 1.63 -1.92 0.13 116.57 119.50 1qlb h LYS 59 Ca -0.47 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 1qlb h LYS 59 Cb 1.27 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1qlb h LYS 59 CO 0.60 0.10 0.00 -1.33 -3.45 0.00 0.00 179.45 175.36 1qlb n MET 60 N -5.17 0.65 0.00 1.90 2.81 -1.26 -2.07 117.12 113.99 1qlb n MET 60 Ca 0.04 0.02 0.06 0.00 -1.81 0.00 0.00 57.70 56.01 1qlb n MET 60 Cb 0.22 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.20 1qlb n MET 60 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1qlb n SER 61 N -1.07 1.06 -4.64 7.83 7.64 0.29 -1.83 113.62 122.91 1qlb n SER 61 Ca 0.16 -1.03 -0.53 0.00 1.01 0.00 0.00 58.87 58.49 1qlb n SER 61 Cb 0.11 0.71 -0.06 0.00 -1.01 0.00 0.00 64.21 63.95 1qlb n SER 61 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1qlb n ASP 62 N -0.68 2.11 0.00 6.43 2.03 -0.23 -1.35 116.55 124.86 1qlb n ASP 62 Ca 0.04 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.45 1qlb n ASP 62 Cb 0.24 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 1qlb n ASP 62 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qlb n GLY 63 N 3.18 0.80 3.78 0.27 0.00 -1.26 -5.04 105.19 106.92 1qlb n GLY 63 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1qlb n GLY 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qlb s ASP 64 N -2.70 6.53 0.37 1.61 2.15 -0.46 -5.01 116.67 119.16 1qlb s ASP 64 Ca 0.00 2.06 -0.12 0.00 0.43 0.00 0.00 52.55 54.91 1qlb s ASP 64 Cb 0.00 -2.58 0.05 0.00 -0.30 0.00 0.00 42.92 40.09 1qlb s ASP 64 CO 0.00 -0.65 0.71 -0.46 -0.17 0.00 0.00 175.17 174.60 1qlb n ASN 65 N -0.39 -2.05 -0.35 -0.34 0.23 -1.26 -4.60 115.26 106.50 1qlb n ASN 65 Ca 0.07 -2.52 0.04 0.00 -0.53 0.00 0.00 54.58 51.63 1qlb n ASN 65 Cb 0.50 3.45 0.19 0.00 -2.08 0.00 0.00 39.78 41.85 1qlb n ASN 65 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1qlb h GLU 66 N 0.00 1.01 -0.14 -3.83 3.07 -1.88 -2.60 114.58 110.21 1qlb h GLU 66 Ca -0.31 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 1qlb h GLU 66 Cb 1.15 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 1qlb h GLU 66 CO 0.39 0.67 0.10 -0.44 -1.40 0.00 0.00 179.01 178.32 1qlb h ASP 67 N 1.04 0.17 -0.74 1.42 3.32 -1.96 0.19 116.42 119.84 1qlb h ASP 67 Ca 0.45 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.45 1qlb h ASP 67 Cb 0.32 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1qlb h ASP 67 CO -0.22 0.12 0.31 -0.07 -1.72 0.00 0.00 179.24 177.67 1qlb h LEU 68 N 0.20 1.01 -0.50 1.55 3.38 -1.89 -0.07 115.31 118.99 1qlb h LEU 68 Ca 0.05 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 1qlb h LEU 68 Cb -0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1qlb h LEU 68 CO -0.01 0.90 -0.19 -0.74 0.09 0.00 0.00 178.44 178.48 1qlb h HIS 69 N 1.07 1.15 -0.24 1.13 2.76 -1.28 -2.29 115.15 117.46 1qlb h HIS 69 Ca 0.25 -0.27 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1qlb h HIS 69 Cb 0.19 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 1qlb h HIS 69 CO 0.02 1.10 0.15 0.35 -1.30 0.00 0.00 177.93 178.25 1qlb h PHE 70 N 0.87 0.29 -0.19 5.26 3.57 -0.25 -1.62 116.94 124.88 1qlb h PHE 70 Ca 0.12 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1qlb h PHE 70 Cb 0.78 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1qlb h PHE 70 CO 0.05 0.18 0.11 1.98 -2.23 0.00 0.00 178.31 178.40 1qlb h MET 71 N 0.31 0.22 -0.74 1.11 4.05 -0.87 -0.93 114.93 118.07 1qlb h MET 71 Ca 0.09 -0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.55 1qlb h MET 71 Cb -0.03 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.67 1qlb h MET 71 CO -0.02 0.14 0.45 -0.44 0.23 0.00 0.00 176.91 177.27 1qlb h ASP 72 N 0.22 0.70 -0.03 1.39 3.32 -1.27 -1.26 116.42 119.50 1qlb h ASP 72 Ca 0.07 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1qlb h ASP 72 Cb -0.00 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1qlb h ASP 72 CO -0.04 0.46 0.01 0.74 -1.72 0.00 0.00 179.24 178.70 1qlb h THR 73 N 0.84 1.12 0.06 0.35 2.02 -0.85 -0.47 112.91 115.97 1qlb h THR 73 Ca 0.32 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1qlb h THR 73 Cb 0.13 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1qlb h THR 73 CO -0.16 0.09 -0.03 0.58 0.37 0.00 0.00 175.52 176.38 1qlb h VAL 74 N -0.09 1.04 -0.58 3.16 2.07 -0.97 -0.95 116.25 119.93 1qlb h VAL 74 Ca 0.01 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 1qlb h VAL 74 Cb 0.14 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1qlb h VAL 74 CO -0.00 0.08 0.16 0.11 0.02 0.00 0.00 177.57 177.93 1qlb h LYS 75 N -0.21 0.88 -0.76 1.57 1.57 -1.27 -1.93 116.57 116.43 1qlb h LYS 75 Ca -0.01 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 1qlb h LYS 75 Cb 0.18 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1qlb h LYS 75 CO 0.01 0.77 0.36 0.78 -0.57 0.00 0.00 179.45 180.81 1qlb h GLY 76 N 0.99 1.17 1.44 3.86 0.00 -0.92 -1.14 103.07 108.48 1qlb h GLY 76 Ca 0.19 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1qlb h GLY 76 CO -0.00 0.56 0.00 -1.14 0.00 0.00 0.00 176.54 175.95 1qlb n SER 77 N -4.38 0.00 -3.84 0.19 3.41 -0.37 -4.18 113.62 104.45 1qlb n SER 77 Ca 0.07 0.01 -0.29 0.00 -0.26 0.00 0.00 58.87 58.40 1qlb n SER 77 Cb 0.14 -0.22 0.04 0.00 -0.26 0.00 0.00 64.21 63.90 1qlb n SER 77 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1qlb n ASP 78 N -1.22 -5.20 -1.72 4.04 2.03 -0.43 -1.63 116.55 112.43 1qlb n ASP 78 Ca 0.06 -0.72 -0.19 0.00 0.52 0.00 0.00 54.79 54.46 1qlb n ASP 78 Cb 0.08 -4.13 -0.06 0.00 -0.72 0.00 0.00 41.12 36.29 1qlb n ASP 78 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1qlb n TRP 79 N -4.76 -0.31 1.02 -0.67 8.01 -1.13 -4.82 117.44 114.79 1qlb n TRP 79 Ca 0.04 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.34 1qlb n TRP 79 Cb 0.53 -3.41 0.09 0.00 -2.01 0.00 0.00 31.31 26.51 1qlb n TRP 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1qlb n GLY 80 N -0.75 -1.04 3.92 6.99 0.00 -0.65 -4.95 105.19 108.72 1qlb n GLY 80 Ca -0.20 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 1qlb n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qlb s ASP 82 N -4.39 6.23 0.49 0.00 1.01 0.68 -4.93 116.67 115.76 1qlb s ASP 82 Ca 0.57 -0.85 0.23 0.00 0.71 0.00 0.00 52.55 53.20 1qlb s ASP 82 Cb -0.11 -2.38 1.28 0.00 1.01 0.00 0.00 42.92 42.72 1qlb s ASP 82 CO 0.45 -1.23 1.95 1.56 0.21 0.00 0.00 175.17 178.10 1qlb h GLN 83 N 9.34 0.16 -0.65 8.23 4.20 -1.89 -1.11 115.11 133.38 1qlb h GLN 83 Ca -0.28 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.33 1qlb h GLN 83 Cb 1.08 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 1qlb h GLN 83 CO 1.10 0.10 0.07 0.87 -0.67 0.00 0.00 178.83 180.30 1qlb h LYS 84 N 0.16 1.10 -0.58 1.46 1.57 -1.91 -1.51 116.57 116.87 1qlb h LYS 84 Ca 0.33 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1qlb h LYS 84 Cb 1.08 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1qlb h LYS 84 CO -0.05 1.03 0.06 0.28 -0.57 0.00 0.00 179.45 180.20 1qlb h VAL 85 N 1.02 1.25 -0.53 0.50 2.07 -1.53 -1.78 116.25 117.25 1qlb h VAL 85 Ca 0.19 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 1qlb h VAL 85 Cb 0.49 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1qlb h VAL 85 CO 0.02 0.37 0.17 0.00 0.02 0.00 0.00 177.57 178.15 1qlb h ALA 86 N 1.18 1.31 -0.49 1.67 0.00 -1.02 -0.85 119.26 121.07 1qlb h ALA 86 Ca 0.18 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1qlb h ALA 86 Cb 0.43 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1qlb h ALA 86 CO 0.01 0.50 -0.05 0.00 0.00 0.00 0.00 179.25 179.72 1qlb h ARG 87 N 0.76 0.89 -0.96 0.00 2.47 -0.64 -0.78 114.38 116.12 1qlb h ARG 87 Ca 0.18 -0.31 0.01 0.00 -1.26 0.00 0.00 59.98 58.59 1qlb h ARG 87 Cb 0.21 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.42 1qlb h ARG 87 CO -0.01 0.95 0.62 0.52 0.56 0.00 0.00 179.97 182.61 1qlb h MET 88 N 0.75 1.27 0.68 0.04 2.86 -0.79 -2.33 114.93 117.41 1qlb h MET 88 Ca 0.13 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1qlb h MET 88 Cb 0.58 -0.28 0.01 0.00 0.06 0.00 0.00 31.60 31.96 1qlb h MET 88 CO 0.03 0.86 -0.33 0.35 1.06 0.00 0.00 176.91 178.88 1qlb h PHE 89 N 1.31 -0.85 -0.53 -0.22 3.57 -0.78 -2.68 116.94 116.75 1qlb h PHE 89 Ca 0.35 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.89 1qlb h PHE 89 Cb -0.12 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1qlb h PHE 89 CO 0.00 -0.53 0.36 -0.39 -2.23 0.00 0.00 178.31 175.52 1qlb h VAL 90 N -1.22 0.97 -0.01 1.41 -1.51 -1.16 -0.17 116.25 114.56 1qlb h VAL 90 Ca -0.09 -0.16 -0.12 0.00 -1.23 0.00 0.00 66.70 65.09 1qlb h VAL 90 Cb 0.70 0.46 -0.02 0.00 -2.13 0.00 0.00 31.29 30.31 1qlb h VAL 90 CO 0.15 0.09 -0.57 -1.13 -1.23 0.00 0.00 177.57 174.88 1qlb h ASN 91 N 0.47 0.04 0.74 4.19 -0.00 -1.47 -3.26 115.58 116.29 1qlb h ASN 91 Ca 0.23 -0.02 -0.02 0.00 -0.00 0.00 0.00 56.30 56.49 1qlb h ASN 91 Cb 0.32 -0.01 -0.00 0.00 -0.00 0.00 0.00 38.32 38.63 1qlb h ASN 91 CO -0.06 0.61 -1.28 0.41 -0.00 0.00 0.00 177.43 177.11 1qlb n THR 92 N -3.86 0.54 -0.19 -3.57 -1.04 -0.55 -4.40 114.28 101.21 1qlb n THR 92 Ca -0.01 -0.55 -0.01 0.00 -2.04 0.00 0.00 64.05 61.43 1qlb n THR 92 Cb 0.58 -0.30 0.09 0.00 -1.82 0.00 0.00 70.33 68.88 1qlb n THR 92 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qlb h ALA 93 N 1.94 0.73 -0.84 2.41 0.00 -1.12 -2.35 119.26 120.03 1qlb h ALA 93 Ca -0.02 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1qlb h ALA 93 Cb 1.07 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 1qlb h ALA 93 CO 0.00 -0.18 0.49 -1.35 0.00 0.00 0.00 179.25 178.22 1qlb h PRO 94 N 0.42 0.81 0.00 0.00 0.11 -1.77 -1.28 132.00 130.29 1qlb h PRO 94 Ca 0.28 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1qlb h PRO 94 Cb 0.31 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1qlb h PRO 94 CO -0.27 0.54 0.00 1.57 -0.21 0.00 0.00 178.00 179.63 1qlb h LYS 95 N 0.83 0.00 -0.13 1.05 2.10 -1.70 -2.40 116.57 116.33 1qlb h LYS 95 Ca 0.40 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.89 1qlb h LYS 95 Cb 0.34 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.68 1qlb h LYS 95 CO -0.24 0.00 -0.53 0.00 -2.00 0.00 0.00 179.45 176.68 1qlb h ALA 96 N 2.02 0.24 -0.07 0.07 0.00 -0.76 -1.07 119.26 119.69 1qlb h ALA 96 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1qlb h ALA 96 Cb 0.69 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1qlb h ALA 96 CO 0.00 0.44 0.04 0.82 0.00 0.00 0.00 179.25 180.55 1qlb h ILE 97 N 0.23 1.01 -0.38 0.00 1.08 -1.23 -1.91 117.51 116.31 1qlb h ILE 97 Ca -0.03 -0.03 -0.07 0.00 -0.39 0.00 0.00 64.86 64.35 1qlb h ILE 97 Cb 1.17 0.92 -0.02 0.00 -3.07 0.00 0.00 36.82 35.82 1qlb h ILE 97 CO 0.11 0.01 -0.04 0.03 -0.69 0.00 0.00 178.15 177.58 1qlb h ARG 98 N 0.08 0.62 -0.50 2.37 3.08 -1.44 -1.06 114.38 117.53 1qlb h ARG 98 Ca 0.03 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 59.81 1qlb h ARG 98 Cb -0.00 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1qlb h ARG 98 CO -0.01 0.67 -0.10 1.49 -1.07 0.00 0.00 179.97 180.94 1qlb h GLU 99 N 0.58 0.96 -0.18 0.04 4.81 -0.99 -1.95 114.58 117.85 1qlb h GLU 99 Ca 0.12 -0.36 -0.07 0.00 -0.13 0.00 0.00 59.36 58.92 1qlb h GLU 99 Cb 0.43 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1qlb h GLU 99 CO 0.02 1.02 -0.20 -0.07 -0.73 0.00 0.00 179.01 179.06 1qlb h LEU 100 N 0.82 0.29 -0.49 1.64 3.38 -1.01 -1.38 115.31 118.56 1qlb h LEU 100 Ca 0.13 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1qlb h LEU 100 Cb 0.66 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1qlb h LEU 100 CO 0.05 0.51 0.11 0.00 0.09 0.00 0.00 178.44 179.19 1qlb h ALA 101 N 1.52 0.65 0.00 1.53 0.00 -0.82 -1.15 119.26 121.00 1qlb h ALA 101 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1qlb h ALA 101 Cb 0.51 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1qlb h ALA 101 CO 0.03 0.36 -0.07 0.00 0.00 0.00 0.00 179.25 179.57 1qlb h ALA 102 N 0.98 1.10 -0.22 0.00 0.00 -0.78 -1.65 119.26 118.69 1qlb h ALA 102 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1qlb h ALA 102 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1qlb h ALA 102 CO 0.00 0.09 0.00 0.91 0.00 0.00 0.00 179.25 180.25 1qlb n TRP 103 N -3.32 0.28 -0.06 0.00 8.01 -0.55 -4.93 117.44 116.87 1qlb n TRP 103 Ca -0.01 -0.14 0.00 0.00 -1.31 0.00 0.00 57.50 56.04 1qlb n TRP 103 Cb 0.25 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.55 1qlb n TRP 103 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1qlb n GLY 104 N 1.11 0.46 3.66 6.99 0.00 -0.62 -4.94 105.19 111.85 1qlb n GLY 104 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 1qlb n GLY 104 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qlb n VAL 105 N -2.00 0.66 -1.08 1.61 0.31 -0.55 -4.82 118.33 112.47 1qlb n VAL 105 Ca 0.00 -0.16 -0.33 0.00 -0.01 0.00 0.00 64.34 63.85 1qlb n VAL 105 Cb 0.00 -2.16 -0.03 0.00 -0.91 0.00 0.00 33.84 30.74 1qlb n VAL 105 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1qlb n PRO 106 N 7.34 2.38 -1.71 5.55 -0.04 -1.26 -4.59 135.00 142.67 1qlb n PRO 106 Ca 0.22 -1.84 -0.43 0.00 -0.04 0.00 0.00 63.50 61.41 1qlb n PRO 106 Cb 0.36 -2.74 -0.01 0.00 -0.04 0.00 0.00 33.50 31.08 1qlb n PRO 106 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1qlb n TRP 107 N 5.06 2.40 -1.91 0.54 7.02 -1.26 -4.57 117.44 124.71 1qlb n TRP 107 Ca 0.54 0.48 -0.41 0.00 -1.02 0.00 0.00 57.50 57.08 1qlb n TRP 107 Cb 0.25 -2.46 -0.02 0.00 -2.42 0.00 0.00 31.31 26.66 1qlb n TRP 107 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1qlb s THR 108 N -0.71 2.37 0.27 -0.99 2.01 0.19 -4.90 115.64 113.88 1qlb s THR 108 Ca 0.59 0.33 0.09 0.00 0.31 0.00 0.00 61.69 63.01 1qlb s THR 108 Cb -0.57 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 1qlb s THR 108 CO 0.58 0.06 0.08 -0.13 -0.69 0.00 0.00 174.62 174.52 1qlb s ARG 109 N -0.91 2.53 0.21 4.92 1.81 -1.26 -1.31 118.95 124.95 1qlb s ARG 109 Ca 0.58 -1.29 -0.25 0.00 -1.72 0.00 0.00 55.73 53.04 1qlb s ARG 109 Cb -0.44 -2.31 -0.09 0.00 -0.45 0.00 0.00 34.95 31.66 1qlb s ARG 109 CO 0.50 0.36 0.83 0.42 -0.68 0.00 0.00 175.30 176.72 1qlb s ILE 110 N -2.26 4.31 0.04 1.52 1.01 0.20 -4.71 121.20 121.31 1qlb s ILE 110 Ca 0.33 1.73 0.05 0.00 0.00 0.00 0.00 60.65 62.76 1qlb s ILE 110 Cb -0.07 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 1qlb s ILE 110 CO 0.22 0.41 -0.14 -1.38 0.00 0.00 0.00 174.94 174.05 1qlb s HIS 111 N -1.29 1.25 0.35 3.97 -3.43 -1.26 -0.10 115.29 114.78 1qlb s HIS 111 Ca 0.40 -0.35 -0.28 0.00 -0.80 0.00 0.00 55.06 54.02 1qlb s HIS 111 Cb -0.22 -0.74 -0.12 0.00 -1.43 0.00 0.00 32.58 30.07 1qlb s HIS 111 CO 0.26 0.04 1.42 1.17 -2.00 0.00 0.00 174.74 175.63 1qlb n LYS 112 N 1.90 2.44 0.00 -0.38 4.81 -1.26 -4.75 118.16 120.92 1qlb n LYS 112 Ca -0.18 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1qlb n LYS 112 Cb 0.55 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 33.06 1qlb n LYS 112 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qlb n GLY 113 N 0.81 0.97 3.58 3.14 0.00 -1.06 -4.98 105.19 107.64 1qlb n GLY 113 Ca 0.04 -1.94 -0.28 0.00 0.00 0.00 0.00 46.02 43.84 1qlb n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qlb s ASP 114 N -3.44 4.35 0.15 1.61 1.01 -1.26 -0.99 116.67 118.11 1qlb s ASP 114 Ca 0.00 -0.47 0.05 0.00 0.71 0.00 0.00 52.55 52.84 1qlb s ASP 114 Cb 0.00 -0.80 -0.04 0.00 1.01 0.00 0.00 42.92 43.09 1qlb s ASP 114 CO 0.00 0.14 -0.10 -0.13 0.21 0.00 0.00 175.17 175.29 1qlb s ARG 115 N -2.50 1.06 0.41 8.23 3.00 0.55 -4.93 118.95 124.77 1qlb s ARG 115 Ca 0.23 -1.43 0.03 0.00 0.00 0.00 0.00 55.73 54.56 1qlb s ARG 115 Cb -0.10 -0.64 0.03 0.00 0.00 0.00 0.00 34.95 34.24 1qlb s ARG 115 CO 0.14 0.08 0.29 -1.33 0.00 0.00 0.00 175.30 174.49 1qlb n MET 116 N -0.14 0.89 0.00 3.54 2.81 -1.26 -0.42 117.12 122.54 1qlb n MET 116 Ca -0.11 -2.61 0.00 0.00 -1.81 0.00 0.00 57.70 53.17 1qlb n MET 116 Cb 0.60 0.31 0.00 0.00 -0.71 0.00 0.00 33.22 33.42 1qlb n MET 116 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qlb n ALA 117 N -2.11 0.00 -2.78 3.04 0.00 0.14 -4.85 120.51 113.95 1qlb n ALA 117 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 1qlb n ALA 117 Cb 0.47 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.95 1qlb n ALA 117 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1qlb n ILE 118 N 0.00 -1.36 -3.86 0.00 5.41 -1.26 -4.75 119.36 113.55 1qlb n ILE 118 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 1qlb n ILE 118 Cb 0.00 -2.67 -0.10 0.00 -0.71 0.00 0.00 39.64 36.16 1qlb n ILE 118 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1qlb s ILE 119 N -2.97 0.08 0.03 1.39 1.01 -1.26 -5.03 121.20 114.45 1qlb s ILE 119 Ca 0.21 -0.67 -0.25 0.00 0.00 0.00 0.00 60.65 59.94 1qlb s ILE 119 Cb -0.09 -0.46 -0.18 0.00 0.01 0.00 0.00 42.46 41.75 1qlb s ILE 119 CO 0.26 -0.37 1.46 -0.55 0.00 0.00 0.00 174.94 175.74 1qlb h ASN 120 N 4.22 -0.09 -1.50 3.58 -1.07 -1.95 -3.49 115.58 115.28 1qlb h ASN 120 Ca -0.31 -0.22 0.01 0.00 0.07 0.00 0.00 56.30 55.85 1qlb h ASN 120 Cb 1.19 0.02 -0.00 0.00 -2.07 0.00 0.00 38.32 37.46 1qlb h ASN 120 CO 0.40 0.17 0.13 0.00 0.07 0.00 0.00 177.43 178.21 1qlb n ALA 121 N -2.27 -0.71 -0.96 4.14 0.00 -1.26 -5.09 120.51 114.35 1qlb n ALA 121 Ca -0.08 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1qlb n ALA 121 Cb 0.17 0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1qlb n ALA 121 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1qlb n GLN 122 N -0.20 0.00 -0.91 0.00 7.27 -1.26 -4.73 117.38 117.55 1qlb n GLN 122 Ca -0.02 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.72 1qlb n GLN 122 Cb 0.20 0.00 0.15 0.00 2.41 0.00 0.00 30.24 32.99 1qlb n GLN 122 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1qlb n LYS 123 N 0.00 -0.11 0.00 3.69 4.81 -1.26 -4.94 118.16 120.34 1qlb n LYS 123 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1qlb n LYS 123 Cb 0.00 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 32.66 1qlb n LYS 123 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1qlb n THR 124 N -3.72 0.00 -4.57 3.15 -1.04 -1.26 -4.80 114.28 102.04 1qlb n THR 124 Ca 0.13 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.85 1qlb n THR 124 Cb 0.51 0.39 -0.17 0.00 -1.82 0.00 0.00 70.33 69.24 1qlb n THR 124 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1qlb s THR 125 N 0.00 1.57 -0.09 12.58 -4.23 -1.26 -0.68 115.64 123.53 1qlb s THR 125 Ca 0.00 -0.69 0.01 0.00 -1.18 0.00 0.00 61.69 59.82 1qlb s THR 125 Cb 0.00 -1.42 -0.03 0.00 1.34 0.00 0.00 72.50 72.40 1qlb s THR 125 CO 0.00 0.45 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.81 1qlb s ILE 126 N 0.87 3.44 -0.15 2.99 1.01 0.44 -4.91 121.20 124.88 1qlb s ILE 126 Ca -0.09 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1qlb s ILE 126 Cb -0.15 -2.41 -0.00 0.00 0.01 0.00 0.00 42.46 39.90 1qlb s ILE 126 CO 0.00 0.57 -0.17 -0.89 0.00 0.00 0.00 174.94 174.45 1qlb s THR 127 N -0.40 2.54 -0.32 2.92 2.01 -1.26 -0.33 115.64 120.79 1qlb s THR 127 Ca 0.05 -0.82 -0.09 0.00 0.31 0.00 0.00 61.69 61.15 1qlb s THR 127 Cb -0.12 -2.06 0.01 0.00 0.01 0.00 0.00 72.50 70.34 1qlb s THR 127 CO 0.02 0.53 0.14 -1.61 -0.69 0.00 0.00 174.62 173.01 1qlb s GLU 128 N 0.74 3.06 1.16 4.92 0.41 -0.16 -4.71 118.70 124.13 1qlb s GLU 128 Ca -0.07 -0.90 -0.13 0.00 -0.41 0.00 0.00 54.97 53.47 1qlb s GLU 128 Cb -0.16 -3.54 0.28 0.00 -1.78 0.00 0.00 34.13 28.94 1qlb s GLU 128 CO 0.01 -0.52 1.03 -1.21 -0.49 0.00 0.00 175.26 174.08 1qlb s GLU 129 N 1.54 -0.90 0.32 1.61 8.01 -1.26 -2.58 118.70 125.44 1qlb s GLU 129 Ca 0.03 0.79 0.10 0.00 0.01 0.00 0.00 54.97 55.90 1qlb s GLU 129 Cb -0.18 -1.56 0.54 0.00 -4.31 0.00 0.00 34.13 28.62 1qlb s GLU 129 CO 0.05 -3.70 1.73 0.38 0.01 0.00 0.00 175.26 173.73 1qlb h ASP 130 N -2.60 0.10 0.53 -0.19 3.04 -1.98 -2.86 116.42 112.45 1qlb h ASP 130 Ca -0.62 -0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.13 1qlb h ASP 130 Cb 1.34 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.60 1qlb h ASP 130 CO 0.51 0.53 0.00 2.22 -2.04 0.00 0.00 179.24 180.46 1qlb n PHE 131 N -4.00 0.00 0.32 4.15 1.16 -1.26 -2.29 117.46 115.54 1qlb n PHE 131 Ca -0.02 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.68 1qlb n PHE 131 Cb 0.48 -0.41 -0.05 0.00 -1.61 0.00 0.00 39.48 37.90 1qlb n PHE 131 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1qlb n ARG 132 N -1.41 0.45 -1.67 3.97 1.74 -1.08 -4.96 116.66 113.69 1qlb n ARG 132 Ca 0.07 -0.03 -0.45 0.00 -0.77 0.00 0.00 57.85 56.66 1qlb n ARG 132 Cb 0.19 -1.62 -0.04 0.00 -1.02 0.00 0.00 32.46 29.98 1qlb n ARG 132 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1qlb n HIS 133 N -2.18 2.28 -0.02 -1.55 -0.00 -0.97 -2.36 115.22 110.42 1qlb n HIS 133 Ca -0.00 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.49 1qlb n HIS 133 Cb 0.49 -2.53 0.00 0.00 -0.12 0.00 0.00 29.99 27.84 1qlb n HIS 133 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1qlb n GLY 134 N 3.03 1.56 3.92 1.57 0.00 0.86 -4.98 105.19 111.15 1qlb n GLY 134 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1qlb n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qlb s LEU 135 N 0.00 3.38 0.08 0.99 1.43 -1.00 -4.71 118.68 118.86 1qlb s LEU 135 Ca 0.00 0.77 -0.31 0.00 -1.03 0.00 0.00 54.13 53.56 1qlb s LEU 135 Cb 0.00 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.48 1qlb s LEU 135 CO 0.00 -0.89 1.79 -0.63 0.23 0.00 0.00 176.35 176.85 1qlb s ILE 136 N -2.89 2.82 0.91 -0.59 1.01 -1.26 -0.63 121.20 120.57 1qlb s ILE 136 Ca 0.52 0.21 -0.14 0.00 0.00 0.00 0.00 60.65 61.24 1qlb s ILE 136 Cb -0.10 -3.14 0.16 0.00 0.01 0.00 0.00 42.46 39.39 1qlb s ILE 136 CO 0.45 -0.00 1.27 -2.28 0.00 0.00 0.00 174.94 174.37 1qlb s HIS 137 N 3.05 1.98 0.07 3.97 2.46 -0.43 -4.55 115.29 121.85 1qlb s HIS 137 Ca 0.80 0.41 -0.12 0.00 0.47 0.00 0.00 55.06 56.61 1qlb s HIS 137 Cb -0.43 -3.89 0.01 0.00 -0.13 0.00 0.00 32.58 28.14 1qlb s HIS 137 CO 0.36 -2.36 0.27 -1.12 -2.47 0.00 0.00 174.74 169.42 1qlb s SER 138 N -4.79 -0.05 0.32 9.88 0.01 -1.26 -4.44 113.70 113.37 1qlb s SER 138 Ca 0.70 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.62 1qlb s SER 138 Cb -0.06 0.36 -0.05 0.00 0.21 0.00 0.00 66.02 66.48 1qlb s SER 138 CO 0.51 -0.68 0.08 0.00 0.41 0.00 0.00 173.24 173.56 1qlb s ARG 139 N -3.16 1.65 -0.36 12.44 1.70 0.05 -4.91 118.95 126.35 1qlb s ARG 139 Ca -0.01 -1.93 -0.26 0.00 -0.47 0.00 0.00 55.73 53.07 1qlb s ARG 139 Cb 0.01 -0.70 0.01 0.00 -0.57 0.00 0.00 34.95 33.71 1qlb s ARG 139 CO -0.07 -0.26 0.94 0.34 -1.08 0.00 0.00 175.30 175.17 1qlb s ASP 140 N -3.47 6.70 -0.27 -2.89 2.15 -1.26 -3.28 116.67 114.35 1qlb s ASP 140 Ca 0.35 0.63 -0.24 0.00 0.43 0.00 0.00 52.55 53.72 1qlb s ASP 140 Cb 0.08 -2.47 0.07 0.00 -0.30 0.00 0.00 42.92 40.30 1qlb s ASP 140 CO 0.15 -0.85 0.74 0.12 -0.17 0.00 0.00 175.17 175.15 1qlb s PHE 141 N 3.48 -0.80 0.00 -5.34 5.36 -1.26 -4.91 117.98 114.51 1qlb s PHE 141 Ca 0.39 1.90 0.00 0.00 -0.96 0.00 0.00 56.93 58.26 1qlb s PHE 141 Cb -0.12 0.32 0.00 0.00 -0.34 0.00 0.00 43.02 42.88 1qlb s PHE 141 CO 0.18 -0.39 0.00 0.41 -1.46 0.00 0.00 175.22 173.96 1qlb n GLY 142 N 2.87 0.77 2.36 13.12 0.00 -1.26 -4.22 105.19 118.83 1qlb n GLY 142 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 1qlb n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qlb n GLY 143 N -2.01 1.21 3.78 -0.02 0.00 -1.26 -4.50 105.19 102.39 1qlb n GLY 143 Ca 0.00 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 1qlb n GLY 143 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qlb s THR 144 N -2.36 4.27 0.18 2.61 -4.23 -1.26 -4.96 115.64 109.88 1qlb s THR 144 Ca 0.00 1.78 -0.13 0.00 -1.18 0.00 0.00 61.69 62.16 1qlb s THR 144 Cb 0.00 -4.10 0.08 0.00 1.34 0.00 0.00 72.50 69.82 1qlb s THR 144 CO 0.00 0.33 1.77 0.50 -0.54 0.00 0.00 174.62 176.68 1qlb h LYS 145 N 3.72 0.43 -5.79 3.99 3.64 -1.97 -3.39 116.57 117.20 1qlb h LYS 145 Ca -0.47 -0.03 -0.58 0.00 -1.27 0.00 0.00 60.65 58.31 1qlb h LYS 145 Cb 1.20 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.84 1qlb h LYS 145 CO 0.66 0.29 0.11 0.21 -2.27 0.00 0.00 179.45 178.44 1qlb s LYS 146 N -6.13 4.29 -0.40 1.90 2.47 -1.26 -5.01 119.74 115.59 1qlb s LYS 146 Ca -0.13 0.70 -0.29 0.00 -1.56 0.00 0.00 55.97 54.69 1qlb s LYS 146 Cb 0.14 -3.53 0.01 0.00 -1.46 0.00 0.00 37.83 32.99 1qlb s LYS 146 CO 0.73 -0.13 1.41 -1.58 0.16 0.00 0.00 175.35 175.94 1qlb s TRP 147 N 1.51 2.41 -0.02 4.03 0.52 -0.76 -4.82 118.94 121.80 1qlb s TRP 147 Ca 0.31 0.68 0.03 0.00 0.02 0.00 0.00 56.10 57.15 1qlb s TRP 147 Cb -0.16 -4.29 0.05 0.00 -1.15 0.00 0.00 33.47 27.92 1qlb s TRP 147 CO 0.12 -1.98 0.85 2.89 0.02 0.00 0.00 176.95 178.85 1qlb n ARG 148 N 8.03 0.73 -2.88 4.98 1.85 -1.25 -4.03 116.66 124.09 1qlb n ARG 148 Ca 0.16 -1.16 -0.43 0.00 -1.00 0.00 0.00 57.85 55.43 1qlb n ARG 148 Cb 0.48 -0.74 -0.05 0.00 -1.05 0.00 0.00 32.46 31.10 1qlb n ARG 148 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1qlb s THR 149 N -0.63 4.59 0.36 8.89 2.01 -1.20 -2.01 115.64 127.64 1qlb s THR 149 Ca 0.05 0.78 -0.13 0.00 0.31 0.00 0.00 61.69 62.70 1qlb s THR 149 Cb 0.04 -4.34 -0.08 0.00 0.01 0.00 0.00 72.50 68.13 1qlb s THR 149 CO 0.00 -0.67 0.75 0.00 -0.69 0.00 0.00 174.62 174.01 1qlb s TYR 151 N -2.16 -0.46 -0.74 0.00 1.13 -1.26 -0.58 117.35 113.28 1qlb s TYR 151 Ca 0.53 0.42 -0.01 0.00 -1.41 0.00 0.00 57.07 56.60 1qlb s TYR 151 Cb -0.10 0.42 0.18 0.00 -1.10 0.00 0.00 41.96 41.36 1qlb s TYR 151 CO 0.24 -0.72 0.57 0.95 -2.51 0.00 0.00 175.55 174.08 1qlb s THR 152 N -2.96 3.77 0.00 -3.49 -4.23 -1.26 -0.64 115.64 106.83 1qlb s THR 152 Ca -0.03 -3.57 0.00 0.00 -1.18 0.00 0.00 61.69 56.92 1qlb s THR 152 Cb -0.00 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1qlb s THR 152 CO -0.06 -0.98 0.00 0.00 -0.54 0.00 0.00 174.62 173.04 1qlb n ALA 153 N 2.75 0.00 -0.80 3.99 0.00 -1.26 -2.06 120.51 123.13 1qlb n ALA 153 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.67 1qlb n ALA 153 Cb 0.37 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.16 1qlb n ALA 153 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1qlb n ASP 154 N 4.44 4.85 -2.70 0.00 5.75 -1.26 -4.58 116.55 123.05 1qlb n ASP 154 Ca 0.00 -2.75 -0.09 0.00 -0.01 0.00 0.00 54.79 51.94 1qlb n ASP 154 Cb 0.00 -0.59 0.03 0.00 -1.03 0.00 0.00 41.12 39.53 1qlb n ASP 154 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qlb n ALA 155 N 0.50 3.17 0.09 2.12 0.00 -0.87 -4.72 120.51 120.80 1qlb n ALA 155 Ca 0.25 -3.02 -0.12 0.00 0.00 0.00 0.00 53.44 50.55 1qlb n ALA 155 Cb 0.99 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 19.44 1qlb n ALA 155 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1qlb h THR 156 N 2.81 0.68 -0.96 0.00 2.02 -1.62 -1.93 112.91 113.92 1qlb h THR 156 Ca -0.10 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.13 1qlb h THR 156 Cb 1.17 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 68.21 1qlb h THR 156 CO 0.46 0.00 0.62 1.23 0.37 0.00 0.00 175.52 178.20 1qlb h GLY 157 N -0.27 1.42 0.95 2.16 0.00 -0.89 -1.98 103.07 104.45 1qlb h GLY 157 Ca 0.02 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1qlb h GLY 157 CO -0.07 0.36 -0.01 0.84 0.00 0.00 0.00 176.54 177.66 1qlb h HIS 158 N 1.16 -0.02 -0.19 5.60 6.17 -1.37 -0.32 115.15 126.18 1qlb h HIS 158 Ca 0.40 -0.00 -0.11 0.00 0.71 0.00 0.00 60.37 61.36 1qlb h HIS 158 Cb 0.08 0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.00 1qlb h HIS 158 CO -0.01 0.04 -0.37 1.79 0.71 0.00 0.00 177.93 180.09 1qlb h THR 159 N -0.08 1.30 0.04 6.26 1.35 -1.21 -1.86 112.91 118.70 1qlb h THR 159 Ca -0.00 -1.48 -0.00 0.00 -0.55 0.00 0.00 66.41 64.38 1qlb h THR 159 Cb 0.07 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1qlb h THR 159 CO 0.00 0.46 -0.02 0.24 -0.25 0.00 0.00 175.52 175.95 1qlb h MET 160 N 0.34 -0.05 -0.37 4.72 2.86 -1.27 -2.35 114.93 118.82 1qlb h MET 160 Ca 0.04 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1qlb h MET 160 Cb 0.81 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.45 1qlb h MET 160 CO 0.07 0.27 0.18 1.25 1.06 0.00 0.00 176.91 179.74 1qlb h LEU 161 N -0.37 0.27 -0.87 1.22 5.85 -1.00 -2.15 115.31 118.26 1qlb h LEU 161 Ca -0.01 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1qlb h LEU 161 Cb 0.34 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1qlb h LEU 161 CO 0.01 0.20 0.56 -0.26 -0.34 0.00 0.00 178.44 178.61 1qlb h PHE 162 N 0.38 1.06 -0.42 1.25 -1.00 -1.33 -0.76 116.94 116.12 1qlb h PHE 162 Ca 0.16 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.92 1qlb h PHE 162 Cb 0.06 -0.35 -0.02 0.00 3.61 0.00 0.00 35.95 39.25 1qlb h PHE 162 CO -0.10 0.62 0.12 0.00 -1.61 0.00 0.00 178.31 177.34 1qlb h ALA 163 N 1.35 0.56 -0.27 2.45 0.00 -1.10 0.56 119.26 122.81 1qlb h ALA 163 Ca 0.34 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1qlb h ALA 163 Cb -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1qlb h ALA 163 CO -0.11 0.22 -0.36 0.28 0.00 0.00 0.00 179.25 179.29 1qlb h VAL 164 N 0.54 1.29 -0.41 0.00 2.07 -1.17 -1.33 116.25 117.24 1qlb h VAL 164 Ca 0.13 -1.50 -0.15 0.00 0.82 0.00 0.00 66.70 66.01 1qlb h VAL 164 Cb 0.29 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1qlb h VAL 164 CO -0.00 0.48 -0.32 0.00 0.02 0.00 0.00 177.57 177.75 1qlb h ALA 165 N 1.10 0.60 -0.63 1.67 0.00 -0.97 -2.35 119.26 118.68 1qlb h ALA 165 Ca 0.05 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 1qlb h ALA 165 Cb 0.85 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1qlb h ALA 165 CO 0.07 0.66 0.19 -0.91 0.00 0.00 0.00 179.25 179.27 1qlb h ASN 166 N 0.78 0.90 -0.43 0.00 2.35 -0.72 -1.78 115.58 116.67 1qlb h ASN 166 Ca 0.08 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 1qlb h ASN 166 Cb 0.91 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 1qlb h ASN 166 CO 0.08 0.84 0.12 -0.33 -1.65 0.00 0.00 177.43 176.49 1qlb h GLU 167 N 0.93 0.76 -0.52 0.81 4.39 -1.06 0.33 114.58 120.22 1qlb h GLU 167 Ca 0.21 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 1qlb h GLU 167 Cb 0.27 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1qlb h GLU 167 CO -0.01 0.69 0.17 0.00 -1.16 0.00 0.00 179.01 178.70 1qlb h LEU 169 N 0.71 0.68 -0.67 0.00 3.38 -0.77 -0.36 115.31 118.29 1qlb h LEU 169 Ca 0.17 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1qlb h LEU 169 Cb 0.27 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1qlb h LEU 169 CO -0.01 0.68 0.34 0.50 0.09 0.00 0.00 178.44 180.05 1qlb h LYS 170 N 0.64 0.60 0.00 1.13 3.64 -0.61 -1.23 116.57 120.74 1qlb h LYS 170 Ca 0.16 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1qlb h LYS 170 Cb 0.22 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1qlb h LYS 170 CO -0.01 0.40 0.00 1.28 -2.27 0.00 0.00 179.45 178.85 1qlb n LEU 171 N -4.84 0.00 -0.14 5.20 4.77 -0.55 -4.91 117.00 116.53 1qlb n LEU 171 Ca 0.09 0.30 -0.01 0.00 -0.03 0.00 0.00 56.01 56.36 1qlb n LEU 171 Cb 0.22 -0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1qlb n LEU 171 CO 0.27 -0.01 -0.02 0.61 -1.33 0.00 0.00 177.39 176.92 1qlb n GLY 172 N 1.24 0.35 3.77 -0.72 0.00 -0.47 -4.99 105.19 104.37 1qlb n GLY 172 Ca 0.14 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 1qlb n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qlb s VAL 173 N -2.06 2.43 -0.51 1.61 1.01 -0.23 -4.93 120.40 117.72 1qlb s VAL 173 Ca 0.00 0.41 -0.24 0.00 0.00 0.00 0.00 61.98 62.14 1qlb s VAL 173 Cb 0.00 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 33.17 1qlb s VAL 173 CO 0.00 0.08 0.91 -0.55 0.00 0.00 0.00 175.10 175.54 1qlb s SER 174 N -0.51 6.40 -0.34 3.32 0.15 -0.74 -4.77 113.70 117.22 1qlb s SER 174 Ca 0.55 -0.16 -0.13 0.00 0.70 0.00 0.00 55.95 56.91 1qlb s SER 174 Cb -0.41 -2.43 -0.02 0.00 -1.71 0.00 0.00 66.02 61.45 1qlb s SER 174 CO 0.54 -1.12 0.26 -0.63 1.20 0.00 0.00 173.24 173.49 1qlb s ILE 175 N 3.78 5.27 -0.33 6.45 1.01 -1.26 -0.33 121.20 135.79 1qlb s ILE 175 Ca 0.33 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.80 1qlb s ILE 175 Cb -0.12 -3.74 0.09 0.00 0.01 0.00 0.00 42.46 38.70 1qlb s ILE 175 CO 0.22 -0.03 0.03 -1.10 0.00 0.00 0.00 174.94 174.06 1qlb s GLN 176 N 1.76 1.81 0.72 2.79 -0.21 -0.26 -4.98 119.66 121.29 1qlb s GLN 176 Ca 0.07 -1.70 -0.03 0.00 0.02 0.00 0.00 55.36 53.72 1qlb s GLN 176 Cb -0.17 -3.19 0.11 0.00 1.00 0.00 0.00 33.01 30.76 1qlb s GLN 176 CO 0.11 -0.85 0.99 0.16 -2.12 0.00 0.00 175.29 173.58 1qlb s ASP 177 N 1.12 4.42 -1.55 5.90 -4.77 -1.26 -2.33 116.67 118.20 1qlb s ASP 177 Ca 0.05 -0.16 -0.14 0.00 -3.30 0.00 0.00 52.55 48.99 1qlb s ASP 177 Cb -0.20 -0.29 0.10 0.00 -1.09 0.00 0.00 42.92 41.44 1qlb s ASP 177 CO -0.06 -1.81 0.91 0.54 0.70 0.00 0.00 175.17 175.45 1qlb n ARG 178 N -2.86 -4.98 -4.47 2.11 1.74 0.14 -4.87 116.66 103.47 1qlb n ARG 178 Ca 0.13 0.56 -0.23 0.00 -0.77 0.00 0.00 57.85 57.54 1qlb n ARG 178 Cb 0.60 -5.42 -0.16 0.00 -1.02 0.00 0.00 32.46 26.46 1qlb n ARG 178 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1qlb s LYS 179 N -6.61 1.46 -0.10 5.56 2.47 -0.63 -1.39 119.74 120.50 1qlb s LYS 179 Ca 0.66 -0.33 0.03 0.00 -1.56 0.00 0.00 55.97 54.77 1qlb s LYS 179 Cb -0.34 -1.24 0.01 0.00 -1.46 0.00 0.00 37.83 34.80 1qlb s LYS 179 CO 0.81 -0.00 -0.20 -2.00 0.16 0.00 0.00 175.35 174.12 1qlb s GLU 180 N 0.73 2.67 -0.24 4.03 2.12 -0.09 -3.42 118.70 124.50 1qlb s GLU 180 Ca -0.14 -0.74 -0.29 0.00 0.36 0.00 0.00 54.97 54.16 1qlb s GLU 180 Cb -0.15 -2.10 0.01 0.00 0.26 0.00 0.00 34.13 32.15 1qlb s GLU 180 CO 0.03 0.08 1.03 0.00 -0.54 0.00 0.00 175.26 175.86 1qlb s ALA 181 N 0.57 3.66 -0.79 6.30 0.00 -1.26 -0.44 121.76 129.81 1qlb s ALA 181 Ca -0.14 0.12 0.10 0.00 0.00 0.00 0.00 51.96 52.03 1qlb s ALA 181 Cb -0.17 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 1qlb s ALA 181 CO 0.05 -1.11 0.57 0.44 0.00 0.00 0.00 175.76 175.71 1qlb n ILE 182 N 5.40 0.00 -3.55 0.00 -5.35 -0.69 -4.87 119.36 110.30 1qlb n ILE 182 Ca 0.12 -0.37 -0.10 0.00 -0.27 0.00 0.00 62.75 62.13 1qlb n ILE 182 Cb 0.46 1.09 -0.04 0.00 -1.74 0.00 0.00 39.64 39.41 1qlb n ILE 182 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qlb s ALA 183 N -1.46 -1.90 -0.11 -1.28 0.00 -1.21 -4.86 121.76 110.95 1qlb s ALA 183 Ca 0.07 1.40 -0.03 0.00 0.00 0.00 0.00 51.96 53.39 1qlb s ALA 183 Cb 0.08 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1qlb s ALA 183 CO 0.28 -0.45 0.02 -0.51 0.00 0.00 0.00 175.76 175.10 1qlb s LEU 184 N -1.61 3.67 -0.17 0.00 1.43 -1.26 -0.49 118.68 120.25 1qlb s LEU 184 Ca 0.01 0.15 -0.21 0.00 -1.03 0.00 0.00 54.13 53.05 1qlb s LEU 184 Cb -0.01 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1qlb s LEU 184 CO -0.02 0.34 0.61 -0.63 0.23 0.00 0.00 176.35 176.88 1qlb s ILE 185 N -0.66 5.05 0.07 -0.59 1.01 0.09 -4.89 121.20 121.28 1qlb s ILE 185 Ca 0.11 1.17 -0.14 0.00 0.00 0.00 0.00 60.65 61.79 1qlb s ILE 185 Cb -0.12 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.44 1qlb s ILE 185 CO 0.02 0.16 0.31 -1.38 0.00 0.00 0.00 174.94 174.05 1qlb s HIS 186 N 1.61 -0.09 -0.27 3.97 -3.43 -1.26 -0.77 115.29 115.04 1qlb s HIS 186 Ca 0.29 -0.12 -0.25 0.00 -0.80 0.00 0.00 55.06 54.18 1qlb s HIS 186 Cb -0.16 0.11 0.08 0.00 -1.43 0.00 0.00 32.58 31.18 1qlb s HIS 186 CO 0.11 -0.55 0.80 -1.14 -2.00 0.00 0.00 174.74 171.96 1qlb s GLN 187 N -2.99 0.76 -1.56 -0.38 0.74 -0.43 -4.95 119.66 110.85 1qlb s GLN 187 Ca -0.02 0.87 -0.12 0.00 0.05 0.00 0.00 55.36 56.14 1qlb s GLN 187 Cb 0.01 0.37 0.09 0.00 1.10 0.00 0.00 33.01 34.58 1qlb s GLN 187 CO -0.06 -0.10 0.81 -0.25 -0.55 0.00 0.00 175.29 175.14 1qlb n ASP 188 N 2.50 -3.33 -0.38 6.67 8.00 -1.26 -1.07 116.55 127.67 1qlb n ASP 188 Ca -0.14 -0.90 -0.05 0.00 0.71 0.00 0.00 54.79 54.41 1qlb n ASP 188 Cb 0.55 -3.37 -0.02 0.00 -0.02 0.00 0.00 41.12 38.26 1qlb n ASP 188 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qlb n GLY 189 N -1.62 0.72 3.28 0.44 0.00 -1.26 -5.01 105.19 101.73 1qlb n GLY 189 Ca -0.02 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 1qlb n GLY 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qlb s LYS 190 N -1.91 1.69 -0.21 1.61 3.01 -0.24 -1.62 119.74 122.07 1qlb s LYS 190 Ca 0.00 -0.93 -0.13 0.00 -1.01 0.00 0.00 55.97 53.90 1qlb s LYS 190 Cb 0.00 -1.74 -0.05 0.00 -1.01 0.00 0.00 37.83 35.03 1qlb s LYS 190 CO 0.00 0.46 0.27 0.00 0.51 0.00 0.00 175.35 176.59 1qlb n TYR 192 N 4.23 0.29 -0.19 0.00 4.01 0.05 -4.72 117.16 120.82 1qlb n TYR 192 Ca -0.12 -0.40 0.00 0.00 -0.16 0.00 0.00 57.90 57.22 1qlb n TYR 192 Cb 0.52 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 1qlb n TYR 192 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qlb n GLY 193 N 0.33 0.82 3.07 2.72 0.00 -1.21 -1.92 105.19 109.00 1qlb n GLY 193 Ca 0.08 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 1qlb n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qlb s ALA 194 N -1.00 -0.04 -0.12 4.61 0.00 -0.15 -0.73 121.76 124.34 1qlb s ALA 194 Ca 0.00 -0.50 -0.17 0.00 0.00 0.00 0.00 51.96 51.30 1qlb s ALA 194 Cb 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 1qlb s ALA 194 CO 0.00 -0.24 0.42 0.08 0.00 0.00 0.00 175.76 176.02 1qlb s VAL 195 N -2.01 5.21 0.01 0.00 1.01 0.36 -0.55 120.40 124.43 1qlb s VAL 195 Ca -0.10 0.83 0.08 0.00 0.00 0.00 0.00 61.98 62.78 1qlb s VAL 195 Cb -0.05 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1qlb s VAL 195 CO -0.02 0.36 -0.23 -0.69 0.00 0.00 0.00 175.10 174.52 1qlb s VAL 196 N 0.46 1.85 -0.17 2.92 1.01 0.32 -1.70 120.40 125.09 1qlb s VAL 196 Ca 0.23 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 1qlb s VAL 196 Cb -0.15 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1qlb s VAL 196 CO 0.09 0.42 -0.03 -0.60 0.00 0.00 0.00 175.10 174.98 1qlb s ARG 197 N -0.81 3.62 -0.40 2.72 3.52 0.42 0.29 118.95 128.30 1qlb s ARG 197 Ca 0.09 -0.54 -0.29 0.00 -0.13 0.00 0.00 55.73 54.86 1qlb s ARG 197 Cb -0.09 -2.96 0.02 0.00 -1.56 0.00 0.00 34.95 30.37 1qlb s ARG 197 CO 0.00 0.14 1.12 0.34 -0.81 0.00 0.00 175.30 176.09 1qlb s ASP 198 N 0.64 6.75 0.58 -2.12 -1.08 0.16 -0.91 116.67 120.70 1qlb s ASP 198 Ca -0.02 0.74 0.28 0.00 -0.52 0.00 0.00 52.55 53.03 1qlb s ASP 198 Cb -0.14 -2.55 1.72 0.00 -1.46 0.00 0.00 42.92 40.49 1qlb s ASP 198 CO 0.02 -1.10 2.23 -0.07 0.52 0.00 0.00 175.17 176.78 1qlb h LEU 199 N 10.76 0.00 0.00 -1.34 3.38 -1.56 0.37 115.31 126.92 1qlb h LEU 199 Ca -0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1qlb h LEU 199 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1qlb h LEU 199 CO 1.08 0.01 -0.30 0.58 0.09 0.00 0.00 178.44 179.90 1qlb h VAL 200 N 0.00 0.57 0.00 1.22 2.07 -1.91 -2.70 116.25 115.50 1qlb h VAL 200 Ca -0.00 -1.50 -0.07 0.00 0.82 0.00 0.00 66.70 65.95 1qlb h VAL 200 Cb 0.02 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1qlb h VAL 200 CO 0.00 0.19 -0.97 0.71 0.02 0.00 0.00 177.57 177.52 1qlb h THR 201 N -1.00 0.26 0.00 2.57 1.35 -1.92 -1.84 112.91 112.33 1qlb h THR 201 Ca -0.05 -1.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 1qlb h THR 201 Cb 0.55 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1qlb h THR 201 CO -0.03 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 1qlb n GLY 202 N 1.25 1.10 3.75 5.82 0.00 0.13 -4.24 105.19 113.00 1qlb n GLY 202 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1qlb n GLY 202 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qlb s ASP 203 N -3.05 5.46 -0.22 1.61 1.01 -1.25 -4.62 116.67 115.60 1qlb s ASP 203 Ca 0.00 2.71 -0.07 0.00 0.71 0.00 0.00 52.55 55.91 1qlb s ASP 203 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 1qlb s ASP 203 CO 0.00 -1.44 0.05 -0.63 0.21 0.00 0.00 175.17 173.36 1qlb s ILE 204 N -1.33 4.34 0.03 0.77 -1.09 -1.26 -0.66 121.20 122.00 1qlb s ILE 204 Ca 0.69 -0.18 0.04 0.00 -2.23 0.00 0.00 60.65 58.98 1qlb s ILE 204 Cb -0.39 -2.99 -0.02 0.00 -1.58 0.00 0.00 42.46 37.48 1qlb s ILE 204 CO 0.47 0.39 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.81 1qlb s ILE 205 N 1.13 1.01 -0.26 2.92 1.01 0.14 -4.68 121.20 122.48 1qlb s ILE 205 Ca 0.04 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.68 1qlb s ILE 205 Cb -0.14 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.37 1qlb s ILE 205 CO 0.03 0.02 0.24 0.00 0.00 0.00 0.00 174.94 175.23 1qlb s ALA 206 N -0.76 3.57 -0.33 9.38 0.00 -0.91 0.12 121.76 132.83 1qlb s ALA 206 Ca 0.01 -0.91 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 1qlb s ALA 206 Cb -0.07 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 20.58 1qlb s ALA 206 CO 0.01 -0.42 0.14 0.71 0.00 0.00 0.00 175.76 176.20 1qlb s TYR 207 N 1.52 3.20 -0.04 0.00 1.51 0.29 -0.92 117.35 122.92 1qlb s TYR 207 Ca 0.10 -0.97 -0.01 0.00 -1.01 0.00 0.00 57.07 55.18 1qlb s TYR 207 Cb -0.15 -2.34 -0.04 0.00 -0.11 0.00 0.00 41.96 39.33 1qlb s TYR 207 CO 0.08 -0.60 0.04 0.14 -1.11 0.00 0.00 175.55 174.10 1qlb s VAL 208 N 1.52 4.55 0.16 0.71 -7.23 0.16 -0.97 120.40 119.30 1qlb s VAL 208 Ca 0.02 -0.34 -0.17 0.00 -1.81 0.00 0.00 61.98 59.68 1qlb s VAL 208 Cb -0.18 -3.01 0.03 0.00 0.56 0.00 0.00 36.38 33.79 1qlb s VAL 208 CO 0.05 0.46 0.47 0.00 -0.31 0.00 0.00 175.10 175.77 1qlb s ALA 209 N -1.06 -0.98 0.03 1.32 0.00 -0.81 -1.95 121.76 118.31 1qlb s ALA 209 Ca 0.18 -0.09 0.23 0.00 0.00 0.00 0.00 51.96 52.29 1qlb s ALA 209 Cb -0.12 0.79 0.77 0.00 0.00 0.00 0.00 23.12 24.57 1qlb s ALA 209 CO 0.08 -0.73 1.76 0.87 0.00 0.00 0.00 175.76 177.75 1qlb h LYS 210 N 2.26 0.00 -3.08 0.00 1.57 -1.55 -3.40 116.57 112.36 1qlb h LYS 210 Ca -0.32 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.33 1qlb h LYS 210 Cb 1.26 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.35 1qlb h LYS 210 CO 0.42 0.22 -0.34 0.20 -0.57 0.00 0.00 179.45 179.38 1qlb s GLY 211 N -4.29 -0.16 -0.06 3.86 0.00 -1.17 -4.81 107.32 100.69 1qlb s GLY 211 Ca 0.02 0.49 0.02 0.00 0.00 0.00 0.00 44.72 45.25 1qlb s GLY 211 CO 0.65 0.33 -0.11 -1.59 0.00 0.00 0.00 173.10 172.38 1qlb s THR 212 N -0.71 1.01 -0.12 0.90 2.01 0.00 -1.48 115.64 117.25 1qlb s THR 212 Ca -0.08 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.54 1qlb s THR 212 Cb -0.04 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.53 1qlb s THR 212 CO 0.02 0.33 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.84 1qlb s LEU 213 N 0.68 2.17 -0.30 4.42 0.20 0.17 0.20 118.68 126.22 1qlb s LEU 213 Ca -0.13 -0.56 -0.10 0.00 0.69 0.00 0.00 54.13 54.03 1qlb s LEU 213 Cb -0.15 -1.45 -0.03 0.00 -0.43 0.00 0.00 46.19 44.13 1qlb s LEU 213 CO 0.03 0.12 0.17 -0.63 -0.29 0.00 0.00 176.35 175.75 1qlb s ILE 214 N 0.58 4.89 -0.43 6.68 1.01 0.97 -0.02 121.20 134.88 1qlb s ILE 214 Ca -0.12 -0.17 0.10 0.00 0.00 0.00 0.00 60.65 60.46 1qlb s ILE 214 Cb -0.17 -3.42 0.35 0.00 0.01 0.00 0.00 42.46 39.23 1qlb s ILE 214 CO 0.04 0.15 0.79 0.00 0.00 0.00 0.00 174.94 175.92 1qlb n ALA 215 N 5.02 2.78 0.84 9.38 0.00 0.63 -2.31 120.51 136.85 1qlb n ALA 215 Ca -0.14 -3.78 0.07 0.00 0.00 0.00 0.00 53.44 49.59 1qlb n ALA 215 Cb 0.50 -0.87 0.22 0.00 0.00 0.00 0.00 19.45 19.30 1qlb n ALA 215 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1qlb n THR 216 N 0.13 0.46 -3.97 0.00 -2.24 -1.24 -4.34 114.28 103.08 1qlb n THR 216 Ca 0.27 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1qlb n THR 216 Cb 0.58 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1qlb n THR 216 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qlb n GLY 217 N 1.13 -1.77 3.77 3.38 0.00 -1.26 -4.86 105.19 105.59 1qlb n GLY 217 Ca 0.14 -1.37 -0.25 0.00 0.00 0.00 0.00 46.02 44.54 1qlb n GLY 217 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qlb n GLY 218 N 0.00 -0.29 1.11 -0.02 0.00 -1.26 -2.88 105.19 101.85 1qlb n GLY 218 Ca 0.00 -1.89 -0.01 0.00 0.00 0.00 0.00 46.02 44.12 1qlb n GLY 218 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1qlb n TYR 219 N -3.25 0.66 -0.03 1.61 0.18 -1.26 -3.15 117.16 111.92 1qlb n TYR 219 Ca 0.16 -1.57 0.17 0.00 1.88 0.00 0.00 57.90 58.54 1qlb n TYR 219 Cb 0.57 -0.26 0.62 0.00 -0.38 0.00 0.00 39.34 39.89 1qlb n TYR 219 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 1qlb h GLY 220 N 1.33 0.24 1.08 -7.48 0.00 -1.91 -2.68 103.07 93.65 1qlb h GLY 220 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1qlb h GLY 220 CO 0.19 0.03 0.00 0.54 0.00 0.00 0.00 176.54 177.30 1qlb n ARG 221 N -4.42 0.28 0.04 4.80 5.12 -0.45 -1.52 116.66 120.51 1qlb n ARG 221 Ca 0.10 0.03 0.12 0.00 -1.93 0.00 0.00 57.85 56.17 1qlb n ARG 221 Cb 0.52 -1.50 0.48 0.00 -1.16 0.00 0.00 32.46 30.81 1qlb n ARG 221 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1qlb n ILE 222 N -1.04 0.47 -3.79 0.55 -5.35 -1.01 -4.70 119.36 104.49 1qlb n ILE 222 Ca 0.07 0.01 -0.28 0.00 -0.27 0.00 0.00 62.75 62.28 1qlb n ILE 222 Cb 0.04 -0.71 -0.03 0.00 -1.74 0.00 0.00 39.64 37.19 1qlb n ILE 222 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1qlb s TYR 223 N -3.07 3.49 0.04 4.28 1.51 -0.58 -3.67 117.35 119.35 1qlb s TYR 223 Ca 0.10 0.31 -0.18 0.00 -1.01 0.00 0.00 57.07 56.29 1qlb s TYR 223 Cb 0.14 -1.82 -0.19 0.00 -0.11 0.00 0.00 41.96 39.98 1qlb s TYR 223 CO 0.47 0.45 1.21 -0.22 -1.11 0.00 0.00 175.55 176.35 1qlb h LYS 224 N 2.34 0.50 -4.78 -0.62 3.64 -1.79 -3.42 116.57 112.44 1qlb h LYS 224 Ca -0.47 -0.43 -0.67 0.00 -1.27 0.00 0.00 60.65 57.81 1qlb h LYS 224 Cb 1.18 0.10 -0.21 0.00 -0.41 0.00 0.00 32.23 32.89 1qlb h LYS 224 CO 0.70 1.06 -0.53 -0.80 -2.27 0.00 0.00 179.45 177.61 1qlb s ASN 225 N -6.69 5.73 0.10 4.20 0.02 -1.26 -5.06 114.94 111.98 1qlb s ASN 225 Ca -0.13 -0.42 -0.17 0.00 -1.02 0.00 0.00 52.86 51.12 1qlb s ASN 225 Cb 0.05 -2.05 0.04 0.00 0.02 0.00 0.00 41.25 39.31 1qlb s ASN 225 CO 0.83 -0.18 0.43 0.28 0.02 0.00 0.00 177.10 178.47 1qlb s THR 226 N 1.66 0.06 -0.50 1.60 -1.32 -1.26 -2.19 115.64 113.69 1qlb s THR 226 Ca 0.05 -0.48 0.23 0.00 -1.21 0.00 0.00 61.69 60.28 1qlb s THR 226 Cb -0.17 -1.09 -0.03 0.00 -1.51 0.00 0.00 72.50 69.70 1qlb s THR 226 CO 0.08 -0.27 1.12 0.35 -2.21 0.00 0.00 174.62 173.69 1qlb n THR 227 N -0.01 0.35 -1.53 5.08 -2.24 -0.47 -4.54 114.28 110.92 1qlb n THR 227 Ca -0.17 -0.35 -0.36 0.00 -2.27 0.00 0.00 64.05 60.91 1qlb n THR 227 Cb 0.63 -0.07 0.09 0.00 -2.10 0.00 0.00 70.33 68.88 1qlb n THR 227 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1qlb s ASN 228 N -4.44 4.26 0.93 3.42 0.02 -1.26 -4.90 114.94 112.97 1qlb s ASN 228 Ca 0.03 2.53 -0.11 0.00 -1.02 0.00 0.00 52.86 54.29 1qlb s ASN 228 Cb 0.13 -2.61 0.15 0.00 0.02 0.00 0.00 41.25 38.94 1qlb s ASN 228 CO 0.77 -2.23 1.10 0.00 0.02 0.00 0.00 177.10 176.76 1qlb s ALA 229 N -1.67 1.28 0.24 0.60 0.00 -1.26 -4.89 121.76 116.07 1qlb s ALA 229 Ca 0.79 0.22 0.35 0.00 0.00 0.00 0.00 51.96 53.32 1qlb s ALA 229 Cb -0.34 -3.31 1.82 0.00 0.00 0.00 0.00 23.12 21.29 1qlb s ALA 229 CO 0.43 -2.66 2.05 0.28 0.00 0.00 0.00 175.76 175.86 1qlb h VAL 230 N -1.78 0.00 -0.02 0.00 2.07 -2.00 -2.59 116.25 111.93 1qlb h VAL 230 Ca -0.48 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1qlb h VAL 230 Cb 1.28 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1qlb h VAL 230 CO 0.49 0.00 -0.21 1.33 0.02 0.00 0.00 177.57 179.20 1qlb n VAL 231 N -2.74 0.00 -2.13 2.57 0.24 -1.26 -4.63 118.33 110.37 1qlb n VAL 231 Ca -0.02 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.60 1qlb n VAL 231 Cb 0.09 0.83 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 1qlb n VAL 231 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qlb n GLU 233 N 5.14 2.12 -1.25 0.00 1.02 -1.25 -1.34 120.64 125.07 1qlb n GLU 233 Ca 0.45 -1.97 -0.08 0.00 -0.02 0.00 0.00 57.16 55.54 1qlb n GLU 233 Cb 0.38 -1.40 -0.04 0.00 -0.02 0.00 0.00 31.44 30.37 1qlb n GLU 233 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qlb n GLY 234 N 1.12 1.02 0.23 0.62 0.00 -1.19 -4.64 105.19 102.35 1qlb n GLY 234 Ca 0.15 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.71 1qlb n GLY 234 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1qlb h THR 235 N 0.00 0.88 -0.29 2.61 1.35 -1.91 -0.87 112.91 114.67 1qlb h THR 235 Ca -0.17 -0.83 -0.12 0.00 -0.55 0.00 0.00 66.41 64.73 1qlb h THR 235 Cb 0.60 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 1qlb h THR 235 CO 0.25 0.21 -0.31 1.23 -0.25 0.00 0.00 175.52 176.66 1qlb h GLY 236 N 1.00 0.68 0.94 5.82 0.00 -1.89 -0.70 103.07 108.91 1qlb h GLY 236 Ca -0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 47.33 46.63 1qlb h GLY 236 CO 0.03 0.56 -0.09 -0.84 0.00 0.00 0.00 176.54 176.19 1qlb h THR 237 N 0.53 1.28 0.08 4.70 2.02 -1.71 -3.08 112.91 116.72 1qlb h THR 237 Ca 0.06 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 1qlb h THR 237 Cb 0.80 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1qlb h THR 237 CO 0.07 0.38 -0.04 0.00 0.37 0.00 0.00 175.52 176.30 1qlb h ALA 238 N 0.81 -0.11 0.00 6.16 0.00 -0.84 -1.51 119.26 123.77 1qlb h ALA 238 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1qlb h ALA 238 Cb 0.60 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1qlb h ALA 238 CO 0.04 -0.50 -0.03 -0.84 0.00 0.00 0.00 179.25 177.93 1qlb h ILE 239 N -0.25 0.75 -0.14 0.00 3.07 -1.20 0.39 117.51 120.13 1qlb h ILE 239 Ca -0.01 -0.10 -0.08 0.00 1.55 0.00 0.00 64.86 66.22 1qlb h ILE 239 Cb 0.21 1.06 -0.00 0.00 -0.27 0.00 0.00 36.82 37.81 1qlb h ILE 239 CO 0.02 0.03 -0.23 0.00 -1.05 0.00 0.00 178.15 176.91 1qlb h ALA 240 N 1.97 0.22 -0.85 0.16 0.00 -1.41 -3.19 119.26 116.16 1qlb h ALA 240 Ca -0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1qlb h ALA 240 Cb 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1qlb h ALA 240 CO 0.00 0.18 0.40 1.25 0.00 0.00 0.00 179.25 181.09 1qlb h LEU 241 N 0.01 1.12 0.00 0.00 5.85 0.12 -2.70 115.31 119.72 1qlb h LEU 241 Ca 0.01 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1qlb h LEU 241 Cb 0.81 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1qlb h LEU 241 CO 0.05 0.95 0.00 -0.62 -0.34 0.00 0.00 178.44 178.48 1qlb n GLU 242 N -4.30 0.53 0.21 1.25 1.02 0.11 -1.87 120.64 117.60 1qlb n GLU 242 Ca 0.08 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.35 1qlb n GLU 242 Cb 0.15 -1.46 0.20 0.00 -0.02 0.00 0.00 31.44 30.31 1qlb n GLU 242 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1qlb h THR 243 N 0.00 0.00 0.00 2.62 1.35 -1.50 -3.47 112.91 111.91 1qlb h THR 243 Ca 0.00 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1qlb h THR 243 Cb 0.00 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1qlb h THR 243 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1qlb n GLY 244 N 1.09 0.82 0.73 5.82 0.00 -0.78 -4.78 105.19 108.09 1qlb n GLY 244 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1qlb n GLY 244 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1qlb n ILE 245 N -2.21 0.00 -2.01 -0.61 5.41 -1.26 -4.20 119.36 114.48 1qlb n ILE 245 Ca 0.00 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.37 1qlb n ILE 245 Cb 0.01 -0.88 0.02 0.00 -0.71 0.00 0.00 39.64 38.07 1qlb n ILE 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qlb s ALA 246 N -1.89 2.93 0.11 -1.39 0.00 -1.26 -4.66 121.76 115.59 1qlb s ALA 246 Ca 0.00 1.15 0.08 0.00 0.00 0.00 0.00 51.96 53.20 1qlb s ALA 246 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1qlb s ALA 246 CO 0.00 -1.02 -0.15 -0.65 0.00 0.00 0.00 175.76 173.95 1qlb s GLN 247 N -2.76 1.93 -0.11 0.00 -0.21 -1.26 -4.61 119.66 112.64 1qlb s GLN 247 Ca 0.67 -1.11 -0.07 0.00 0.02 0.00 0.00 55.36 54.86 1qlb s GLN 247 Cb -0.35 -2.20 -0.04 0.00 1.00 0.00 0.00 33.01 31.42 1qlb s GLN 247 CO 0.42 0.49 0.14 -0.51 -2.12 0.00 0.00 175.29 173.72 1qlb s LEU 248 N -2.18 4.39 -0.07 2.90 1.02 0.50 -0.02 118.68 125.21 1qlb s LEU 248 Ca 0.19 0.47 0.01 0.00 0.02 0.00 0.00 54.13 54.83 1qlb s LEU 248 Cb -0.11 -2.10 -0.03 0.00 0.02 0.00 0.00 46.19 43.98 1qlb s LEU 248 CO 0.12 0.40 -0.09 -0.83 0.02 0.00 0.00 176.35 175.97 1qlb s GLY 249 N -1.07 1.64 -1.26 -3.19 0.00 0.14 -0.27 107.32 103.32 1qlb s GLY 249 Ca 0.16 -0.91 -0.01 0.00 0.00 0.00 0.00 44.72 43.95 1qlb s GLY 249 CO 0.05 -0.63 0.02 0.70 0.00 0.00 0.00 173.10 173.24 1qlb n ASN 250 N 2.41 0.63 0.31 1.64 3.02 -0.23 -2.12 115.26 120.91 1qlb n ASN 250 Ca -0.18 -1.05 0.17 0.00 -0.03 0.00 0.00 54.58 53.50 1qlb n ASN 250 Cb 0.53 -1.30 1.01 0.00 -0.61 0.00 0.00 39.78 39.40 1qlb n ASN 250 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1qlb h MET 251 N -1.30 0.00 0.00 3.52 2.86 -1.86 -0.16 114.93 117.99 1qlb h MET 251 Ca -0.54 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.10 1qlb h MET 251 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1qlb h MET 251 CO 0.58 0.00 0.00 -0.85 1.06 0.00 0.00 176.91 177.70 1qlb n GLU 252 N -3.62 0.21 -2.55 1.72 0.00 -1.26 -4.54 120.64 110.61 1qlb n GLU 252 Ca -0.03 0.29 -0.41 0.00 0.00 0.00 0.00 57.16 57.01 1qlb n GLU 252 Cb 0.08 -1.81 -0.03 0.00 0.00 0.00 0.00 31.44 29.69 1qlb n GLU 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1qlb s ALA 253 N -3.18 2.78 -0.10 -1.84 0.00 -0.07 -4.82 121.76 114.53 1qlb s ALA 253 Ca 0.08 -2.35 0.01 0.00 0.00 0.00 0.00 51.96 49.70 1qlb s ALA 253 Cb 0.11 -4.55 -0.02 0.00 0.00 0.00 0.00 23.12 18.66 1qlb s ALA 253 CO 0.50 -3.60 -0.13 0.08 0.00 0.00 0.00 175.76 172.61 1qlb s VAL 254 N 5.00 3.08 -0.09 0.00 1.01 -1.26 -2.45 120.40 125.68 1qlb s VAL 254 Ca 0.48 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1qlb s VAL 254 Cb 0.01 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1qlb s VAL 254 CO -0.07 0.55 0.05 -1.58 0.00 0.00 0.00 175.10 174.05 1qlb s GLN 255 N -0.13 3.11 0.30 2.72 0.74 -0.60 -4.76 119.66 121.05 1qlb s GLN 255 Ca -0.01 -0.34 0.08 0.00 0.05 0.00 0.00 55.36 55.14 1qlb s GLN 255 Cb -0.14 -2.91 -0.04 0.00 1.10 0.00 0.00 33.01 31.03 1qlb s GLN 255 CO 0.03 0.72 0.13 -0.06 -0.55 0.00 0.00 175.29 175.57 1qlb s PHE 256 N -0.95 2.80 -0.07 1.67 0.40 -1.26 -0.52 117.98 120.05 1qlb s PHE 256 Ca 0.15 -0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.22 1qlb s PHE 256 Cb -0.12 -1.50 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 1qlb s PHE 256 CO 0.04 0.42 -0.15 -1.58 0.70 0.00 0.00 175.22 174.65 1qlb s HIS 257 N -2.33 2.70 0.21 0.36 2.46 0.26 -4.80 115.29 114.14 1qlb s HIS 257 Ca 0.36 -0.37 0.00 0.00 0.47 0.00 0.00 55.06 55.52 1qlb s HIS 257 Cb -0.05 -1.69 0.18 0.00 -0.13 0.00 0.00 32.58 30.90 1qlb s HIS 257 CO 0.23 0.02 1.54 -1.35 -2.47 0.00 0.00 174.74 172.70 1qlb h PRO 258 N 5.83 0.43 -1.15 2.88 0.11 -1.87 -1.47 132.00 136.76 1qlb h PRO 258 Ca -0.39 -0.27 -0.57 0.00 0.11 0.00 0.00 66.00 64.89 1qlb h PRO 258 Cb 1.17 0.03 -0.42 0.00 0.11 0.00 0.00 31.00 31.89 1qlb h PRO 258 CO 0.51 0.87 -0.78 0.25 -0.21 0.00 0.00 178.00 178.65 1qlb n THR 259 N -3.93 2.43 -2.29 -1.15 -2.24 -1.26 -3.40 114.28 102.43 1qlb n THR 259 Ca -0.03 -4.58 -0.32 0.00 -2.27 0.00 0.00 64.05 56.85 1qlb n THR 259 Cb 0.60 -1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 67.63 1qlb n THR 259 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1qlb s PRO 260 N -3.57 3.80 0.34 -0.78 0.02 -1.25 -4.06 135.00 129.50 1qlb s PRO 260 Ca 0.49 0.99 -0.29 0.00 0.02 0.00 0.00 61.00 62.21 1qlb s PRO 260 Cb 0.40 -2.11 -0.11 0.00 0.02 0.00 0.00 34.50 32.71 1qlb s PRO 260 CO -0.08 -0.40 1.45 -0.51 -0.33 0.00 0.00 177.00 177.13 1qlb s LEU 261 N -4.23 4.36 -0.15 -5.54 1.43 0.49 -3.21 118.68 111.82 1qlb s LEU 261 Ca 0.60 2.91 -0.07 0.00 -1.03 0.00 0.00 54.13 56.54 1qlb s LEU 261 Cb -0.11 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 1qlb s LEU 261 CO 0.34 -0.77 0.09 0.12 0.23 0.00 0.00 176.35 176.36 1qlb s PHE 262 N -0.91 3.38 -2.49 0.29 5.36 0.42 -0.45 117.98 123.58 1qlb s PHE 262 Ca 0.53 0.30 0.22 0.00 -0.96 0.00 0.00 56.93 57.02 1qlb s PHE 262 Cb -0.44 -2.00 0.34 0.00 -0.34 0.00 0.00 43.02 40.58 1qlb s PHE 262 CO 0.57 0.43 1.33 -0.35 -1.46 0.00 0.00 175.22 175.74 1qlb n PRO 263 N 2.77 2.37 -0.36 10.12 -0.04 -1.26 -4.75 135.00 143.84 1qlb n PRO 263 Ca -0.18 -2.13 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1qlb n PRO 263 Cb 0.53 -1.48 0.14 0.00 -0.04 0.00 0.00 33.50 32.66 1qlb n PRO 263 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qlb h SER 264 N 4.33 1.03 0.00 3.54 4.64 -1.95 -3.47 113.55 121.68 1qlb h SER 264 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qlb h SER 264 Cb 0.95 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1qlb h SER 264 CO 0.00 0.70 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 1qlb n GLY 265 N -1.36 0.67 3.72 -0.77 0.00 0.41 -4.85 105.19 103.01 1qlb n GLY 265 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1qlb n GLY 265 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qlb s ILE 266 N -2.55 2.84 -0.01 -0.61 1.01 -1.25 -4.29 121.20 116.33 1qlb s ILE 266 Ca 0.00 0.62 -0.30 0.00 0.00 0.00 0.00 60.65 60.97 1qlb s ILE 266 Cb 0.00 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 1qlb s ILE 266 CO 0.00 0.06 1.27 -0.22 0.00 0.00 0.00 174.94 176.05 1qlb s LEU 267 N 0.83 4.31 -0.43 2.97 2.96 -1.26 -0.38 118.68 127.68 1qlb s LEU 267 Ca 0.66 1.96 -0.09 0.00 -0.22 0.00 0.00 54.13 56.45 1qlb s LEU 267 Cb -0.41 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 42.81 1qlb s LEU 267 CO 0.33 -0.61 0.28 -0.76 -1.32 0.00 0.00 176.35 174.27 1qlb s LEU 268 N 2.04 5.31 0.00 -0.68 1.43 -1.26 -4.91 118.68 120.61 1qlb s LEU 268 Ca 0.59 -1.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 1qlb s LEU 268 Cb -0.28 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1qlb s LEU 268 CO 0.25 -0.58 0.60 1.07 0.23 0.00 0.00 176.35 177.92 1qlb n THR 269 N 4.89 0.51 -1.88 5.49 5.66 -1.26 -4.84 114.28 122.85 1qlb n THR 269 Ca -0.09 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.51 1qlb n THR 269 Cb 0.42 -0.72 0.01 0.00 -1.55 0.00 0.00 70.33 68.50 1qlb n THR 269 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1qlb s GLU 270 N -0.04 3.79 0.00 1.09 2.02 -1.26 -2.40 118.70 121.90 1qlb s GLU 270 Ca 0.00 2.34 0.00 0.00 0.02 0.00 0.00 54.97 57.33 1qlb s GLU 270 Cb 0.00 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.53 1qlb s GLU 270 CO 0.00 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 174.99 1qlb n GLY 271 N 0.60 0.68 0.00 -1.39 0.00 -1.26 -4.92 105.19 98.90 1qlb n GLY 271 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1qlb n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qlb h ARG 273 N 0.00 -0.00 -2.89 0.00 2.47 -1.91 -3.35 114.38 108.70 1qlb h ARG 273 Ca 0.00 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.22 1qlb h ARG 273 Cb 0.00 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 27.92 1qlb h ARG 273 CO 0.00 -0.00 -0.77 0.20 0.56 0.00 0.00 179.97 179.96 1qlb s GLY 274 N -3.98 0.42 0.01 0.04 0.00 -1.26 -4.96 107.32 97.59 1qlb s GLY 274 Ca -0.15 -0.75 -0.37 0.00 0.00 0.00 0.00 44.72 43.45 1qlb s GLY 274 CO 0.76 1.93 1.43 1.22 0.00 0.00 0.00 173.10 178.45 1qlb n ASP 275 N 5.26 1.82 0.00 1.64 8.00 -1.26 -4.48 116.55 127.53 1qlb n ASP 275 Ca -0.06 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.54 1qlb n ASP 275 Cb 0.45 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 1qlb n ASP 275 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qlb n GLY 276 N 2.89 0.00 3.68 0.44 0.00 -1.26 -4.96 105.19 105.98 1qlb n GLY 276 Ca 0.20 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.77 1qlb n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qlb n GLY 277 N -0.01 1.27 3.29 -0.02 0.00 -1.26 -4.81 105.19 103.66 1qlb n GLY 277 Ca 0.00 0.66 -0.32 0.00 0.00 0.00 0.00 46.02 46.36 1qlb n GLY 277 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qlb s ILE 278 N 1.26 2.52 -0.06 -0.61 1.01 0.16 -4.92 121.20 120.56 1qlb s ILE 278 Ca 0.79 -0.86 -0.24 0.00 0.00 0.00 0.00 60.65 60.34 1qlb s ILE 278 Cb -0.63 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1qlb s ILE 278 CO 0.37 0.54 0.72 -0.76 0.00 0.00 0.00 174.94 175.82 1qlb s LEU 279 N 0.31 4.33 0.13 2.97 1.43 -1.26 -0.19 118.68 126.39 1qlb s LEU 279 Ca -0.14 1.24 0.07 0.00 -1.03 0.00 0.00 54.13 54.26 1qlb s LEU 279 Cb -0.17 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 1qlb s LEU 279 CO 0.07 -0.12 -0.16 -0.13 0.23 0.00 0.00 176.35 176.25 1qlb s ARG 280 N 0.77 1.07 0.00 1.70 0.52 -0.40 -3.65 118.95 118.95 1qlb s ARG 280 Ca 0.39 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 1qlb s ARG 280 Cb -0.18 -1.04 0.00 0.00 0.52 0.00 0.00 34.95 34.25 1qlb s ARG 280 CO 0.19 0.21 0.00 -0.40 0.02 0.00 0.00 175.30 175.32 1qlb n ASP 281 N 0.60 0.00 0.29 0.23 5.68 -0.48 -0.99 116.55 121.88 1qlb n ASP 281 Ca -0.16 -0.41 0.14 0.00 -0.50 0.00 0.00 54.79 53.86 1qlb n ASP 281 Cb 0.56 0.00 0.85 0.00 -1.14 0.00 0.00 41.12 41.39 1qlb n ASP 281 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 1qlb h VAL 282 N -0.08 0.59 -0.36 2.12 3.04 -1.58 -1.65 116.25 118.33 1qlb h VAL 282 Ca 0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1qlb h VAL 282 Cb 0.00 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.35 1qlb h VAL 282 CO 0.00 0.03 0.00 0.47 -1.01 0.00 0.00 177.57 177.06 1qlb n ASP 283 N -3.89 2.66 0.00 3.17 8.00 -1.26 -4.89 116.55 120.34 1qlb n ASP 283 Ca -0.03 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.57 1qlb n ASP 283 Cb 0.11 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 1qlb n ASP 283 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qlb n GLY 284 N 1.33 0.65 3.72 0.44 0.00 -0.62 -5.00 105.19 105.72 1qlb n GLY 284 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1qlb n GLY 284 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qlb s HIS 285 N -2.62 3.57 -0.76 1.61 5.04 -1.26 -4.69 115.29 116.19 1qlb s HIS 285 Ca 0.00 1.53 -0.26 0.00 -1.54 0.00 0.00 55.06 54.79 1qlb s HIS 285 Cb 0.00 -3.28 0.04 0.00 0.04 0.00 0.00 32.58 29.38 1qlb s HIS 285 CO 0.00 -0.67 1.25 0.50 -2.34 0.00 0.00 174.74 173.48 1qlb s ARG 286 N 0.34 3.22 0.15 2.88 3.52 -1.26 -1.39 118.95 126.42 1qlb s ARG 286 Ca 0.53 -0.42 0.17 0.00 -0.13 0.00 0.00 55.73 55.87 1qlb s ARG 286 Cb -0.28 -4.30 -0.05 0.00 -1.56 0.00 0.00 34.95 28.76 1qlb s ARG 286 CO 0.32 -2.10 1.08 0.27 -0.81 0.00 0.00 175.30 174.05 1qlb h PHE 287 N 9.93 0.00 -0.95 5.12 -0.00 -1.94 -3.39 116.94 125.72 1qlb h PHE 287 Ca -0.23 0.00 0.19 0.00 -0.00 0.00 0.00 57.97 57.93 1qlb h PHE 287 Cb 1.05 0.00 -0.08 0.00 -0.00 0.00 0.00 35.95 36.92 1qlb h PHE 287 CO 1.12 0.50 0.61 0.52 -0.00 0.00 0.00 178.31 181.06 1qlb h MET 288 N 0.00 0.57 0.00 6.09 2.86 -1.90 0.83 114.93 123.38 1qlb h MET 288 Ca -0.09 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1qlb h MET 288 Cb 1.46 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.99 1qlb h MET 288 CO 0.05 0.38 -0.07 -1.35 1.06 0.00 0.00 176.91 176.98 1qlb h PRO 289 N 0.59 0.00 -0.24 -0.22 0.11 -1.77 0.61 132.00 131.07 1qlb h PRO 289 Ca 0.51 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.51 1qlb h PRO 289 Cb 1.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1qlb h PRO 289 CO -0.25 0.07 -0.33 -0.44 -0.21 0.00 0.00 178.00 176.83 1qlb h ASP 290 N 0.00 0.52 0.17 -2.05 3.32 -1.09 -2.67 116.42 114.62 1qlb h ASP 290 Ca -0.00 -0.21 -0.35 0.00 0.02 0.00 0.00 57.03 56.49 1qlb h ASP 290 Cb 0.39 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 1qlb h ASP 290 CO 0.01 0.82 -2.14 -1.22 -1.72 0.00 0.00 179.24 175.00 1qlb n TYR 291 N -4.07 0.55 -3.63 4.55 4.02 -0.98 -4.68 117.16 112.92 1qlb n TYR 291 Ca -0.01 0.16 -0.27 0.00 -0.01 0.00 0.00 57.90 57.77 1qlb n TYR 291 Cb 0.46 -1.09 -0.10 0.00 -0.02 0.00 0.00 39.34 38.59 1qlb n TYR 291 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1qlb n GLU 292 N -3.09 1.35 -0.35 -0.72 -0.58 0.17 -4.98 120.64 112.44 1qlb n GLU 292 Ca -0.31 -4.03 0.14 0.00 -0.42 0.00 0.00 57.16 52.54 1qlb n GLU 292 Cb 1.07 -2.02 0.33 0.00 -0.57 0.00 0.00 31.44 30.26 1qlb n GLU 292 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1qlb h PRO 293 N 5.19 0.70 0.00 3.49 0.11 -1.68 0.21 132.00 140.02 1qlb h PRO 293 Ca 0.19 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1qlb h PRO 293 Cb 0.80 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1qlb h PRO 293 CO 0.61 0.46 -0.02 0.93 -0.21 0.00 0.00 178.00 179.78 1qlb h GLU 294 N 0.72 0.00 0.00 1.05 3.07 -1.94 -3.40 114.58 114.09 1qlb h GLU 294 Ca 0.59 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.38 1qlb h GLU 294 Cb 0.97 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 1qlb h GLU 294 CO -0.41 0.00 -0.36 0.87 -1.40 0.00 0.00 179.01 177.71 1qlb h LYS 295 N -0.27 0.00 0.00 2.33 6.56 -1.95 -3.48 116.57 119.76 1qlb h LYS 295 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1qlb h LYS 295 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 1qlb h LYS 295 CO 0.00 0.36 0.00 1.63 -2.06 0.00 0.00 179.45 179.38 1qlb n LYS 296 N -3.96 0.00 0.26 3.15 5.02 0.75 -1.24 118.16 122.15 1qlb n LYS 296 Ca -0.02 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.39 1qlb n LYS 296 Cb 0.41 0.00 0.73 0.00 -0.02 0.00 0.00 35.03 36.15 1qlb n LYS 296 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1qlb h GLU 297 N 0.00 0.00 -0.18 1.97 3.07 -1.86 -2.60 114.58 114.98 1qlb h GLU 297 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1qlb h GLU 297 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1qlb h GLU 297 CO 0.00 0.08 0.00 1.28 -1.40 0.00 0.00 179.01 178.97 1qlb n LEU 298 N -3.97 0.35 -4.53 1.33 4.77 -0.37 -4.88 117.00 109.69 1qlb n LEU 298 Ca -0.02 -0.18 -0.29 0.00 -0.03 0.00 0.00 56.01 55.48 1qlb n LEU 298 Cb 0.17 -0.10 0.24 0.00 -2.33 0.00 0.00 43.42 41.40 1qlb n LEU 298 CO 0.31 0.08 0.56 0.00 -1.33 0.00 0.00 177.39 177.02 1qlb s ALA 299 N -1.82 0.20 0.27 -1.18 0.00 -0.98 -4.91 121.76 113.34 1qlb s ALA 299 Ca 0.03 -0.65 -0.31 0.00 0.00 0.00 0.00 51.96 51.03 1qlb s ALA 299 Cb 0.01 -3.01 -0.12 0.00 0.00 0.00 0.00 23.12 20.01 1qlb s ALA 299 CO 0.02 -3.68 1.64 0.45 0.00 0.00 0.00 175.76 174.19 1qlb n SER 300 N -4.84 3.96 -0.18 0.00 2.88 -1.26 -4.76 113.62 109.41 1qlb n SER 300 Ca 0.09 1.12 0.24 0.00 -1.33 0.00 0.00 58.87 59.00 1qlb n SER 300 Cb 0.58 -1.60 0.64 0.00 -0.75 0.00 0.00 64.21 63.09 1qlb n SER 300 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1qlb h ARG 301 N 5.40 0.14 -0.58 -1.46 3.08 -1.94 0.60 114.38 119.62 1qlb h ARG 301 Ca -0.46 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.59 1qlb h ARG 301 Cb 1.22 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.20 1qlb h ARG 301 CO 0.84 0.09 0.39 0.22 -1.07 0.00 0.00 179.97 180.44 1qlb h ASP 302 N 0.14 0.67 -0.20 7.04 3.58 -1.93 -2.04 116.42 123.69 1qlb h ASP 302 Ca 0.42 -0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.73 1qlb h ASP 302 Cb 1.44 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1qlb h ASP 302 CO -0.07 0.48 -0.35 0.58 -2.88 0.00 0.00 179.24 177.00 1qlb h VAL 303 N 0.79 1.33 -0.91 2.25 2.07 -0.22 -3.18 116.25 118.39 1qlb h VAL 303 Ca 0.21 -1.58 0.10 0.00 0.82 0.00 0.00 66.70 66.26 1qlb h VAL 303 Cb -0.09 1.86 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 1qlb h VAL 303 CO -0.05 0.49 0.55 0.58 0.02 0.00 0.00 177.57 179.16 1qlb h VAL 304 N 0.26 0.94 -0.34 2.57 2.07 -0.85 -1.14 116.25 119.76 1qlb h VAL 304 Ca 0.01 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1qlb h VAL 304 Cb 0.94 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1qlb h VAL 304 CO 0.08 0.17 0.18 0.28 0.02 0.00 0.00 177.57 178.30 1qlb h SER 305 N 0.91 0.42 0.02 0.57 0.02 -1.40 -1.18 113.55 112.92 1qlb h SER 305 Ca 0.43 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1qlb h SER 305 Cb 0.37 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1qlb h SER 305 CO -0.24 0.39 -0.01 0.03 -1.14 0.00 0.00 176.83 175.86 1qlb h ARG 306 N 0.42 -0.03 -0.85 3.45 3.08 -1.37 -2.18 114.38 116.90 1qlb h ARG 306 Ca 0.12 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.21 1qlb h ARG 306 Cb 0.07 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1qlb h ARG 306 CO -0.02 -0.01 0.56 0.00 -1.07 0.00 0.00 179.97 179.43 1qlb h ARG 307 N -0.04 1.00 -0.59 0.04 2.47 -1.11 0.15 114.38 116.31 1qlb h ARG 307 Ca -0.00 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.59 1qlb h ARG 307 Cb 0.03 -0.23 -0.03 0.00 -1.65 0.00 0.00 29.97 28.10 1qlb h ARG 307 CO 0.01 0.66 0.11 0.52 0.56 0.00 0.00 179.97 181.82 1qlb h MET 308 N 1.03 0.93 -0.17 0.04 2.86 -0.94 0.12 114.93 118.80 1qlb h MET 308 Ca 0.34 -0.22 -0.16 0.00 -2.06 0.00 0.00 59.70 57.61 1qlb h MET 308 Cb 0.07 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1qlb h MET 308 CO -0.11 0.86 -0.50 0.82 1.06 0.00 0.00 176.91 179.04 1qlb h ILE 309 N 0.88 1.33 -0.31 -1.22 1.08 -0.65 -2.37 117.51 116.25 1qlb h ILE 309 Ca 0.18 -1.75 0.03 0.00 -0.39 0.00 0.00 64.86 62.93 1qlb h ILE 309 Cb 0.37 1.97 -0.03 0.00 -3.07 0.00 0.00 36.82 36.05 1qlb h ILE 309 CO 0.01 0.54 0.12 -0.33 -0.69 0.00 0.00 178.15 177.80 1qlb h GLU 310 N 0.31 0.26 -0.52 2.37 5.08 -0.45 -0.55 114.58 121.08 1qlb h GLU 310 Ca -0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1qlb h GLU 310 Cb 1.12 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 1qlb h GLU 310 CO 0.11 0.17 0.25 1.25 -1.00 0.00 0.00 179.01 179.79 1qlb h HIS 311 N 0.26 0.70 -0.24 4.33 2.76 -0.75 -1.60 115.15 120.63 1qlb h HIS 311 Ca 0.14 -0.01 -0.19 0.00 -2.20 0.00 0.00 60.37 58.10 1qlb h HIS 311 Cb 0.09 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.83 1qlb h HIS 311 CO -0.12 0.51 -0.61 0.82 -1.30 0.00 0.00 177.93 177.23 1qlb h ILE 312 N 0.72 1.28 0.00 6.26 2.04 -0.86 -2.71 117.51 124.25 1qlb h ILE 312 Ca 0.18 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 64.23 1qlb h ILE 312 Cb 0.06 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1qlb h ILE 312 CO -0.03 0.58 0.00 0.03 0.00 0.00 0.00 178.15 178.74 1qlb h ARG 313 N 0.60 0.00 -0.06 2.37 3.08 -0.63 -0.19 114.38 119.55 1qlb h ARG 313 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qlb h ARG 313 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1qlb h ARG 313 CO 0.13 0.00 0.00 1.17 -1.07 0.00 0.00 179.97 180.20 1qlb n LYS 314 N -2.31 1.29 -1.05 0.04 4.81 -0.65 -4.89 118.16 115.41 1qlb n LYS 314 Ca 0.02 -0.44 -0.02 0.00 -0.87 0.00 0.00 58.31 57.01 1qlb n LYS 314 Cb 0.25 -1.35 -0.01 0.00 0.02 0.00 0.00 35.03 33.95 1qlb n LYS 314 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qlb n GLY 315 N 0.94 0.52 1.42 3.14 0.00 -0.08 -4.94 105.19 106.19 1qlb n GLY 315 Ca 0.16 -0.88 -0.03 0.00 0.00 0.00 0.00 46.02 45.27 1qlb n GLY 315 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qlb n LYS 316 N -2.91 2.77 -2.91 1.61 3.00 -1.06 -5.00 118.16 113.67 1qlb n LYS 316 Ca -0.02 -3.04 -0.22 0.00 -0.00 0.00 0.00 58.31 55.03 1qlb n LYS 316 Cb 0.06 -1.98 0.02 0.00 0.00 0.00 0.00 35.03 33.13 1qlb n LYS 316 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1qlb s GLY 317 N -1.80 1.65 -0.12 3.14 0.00 -1.26 -1.71 107.32 107.22 1qlb s GLY 317 Ca 0.48 -1.17 -0.16 0.00 0.00 0.00 0.00 44.72 43.87 1qlb s GLY 317 CO 0.08 -0.97 0.40 0.14 0.00 0.00 0.00 173.10 172.75 1qlb s VAL 318 N -2.59 5.22 0.18 1.40 1.01 0.44 -4.59 120.40 121.47 1qlb s VAL 318 Ca 0.51 0.79 -0.19 0.00 0.00 0.00 0.00 61.98 63.09 1qlb s VAL 318 Cb -0.10 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 1qlb s VAL 318 CO 0.38 0.37 0.68 -1.10 0.00 0.00 0.00 175.10 175.43 1qlb s GLN 319 N 0.41 4.23 0.22 2.72 -1.52 -1.26 -1.64 119.66 122.82 1qlb s GLN 319 Ca 0.22 0.81 -0.18 0.00 -1.95 0.00 0.00 55.36 54.27 1qlb s GLN 319 Cb -0.14 -2.97 0.02 0.00 -0.22 0.00 0.00 33.01 29.70 1qlb s GLN 319 CO 0.08 0.46 0.56 -1.54 -0.25 0.00 0.00 175.29 174.60 1qlb s SER 320 N -1.54 -0.24 0.61 5.90 1.04 -0.93 -4.99 113.70 113.55 1qlb s SER 320 Ca 0.40 -0.56 0.33 0.00 0.48 0.00 0.00 55.95 56.59 1qlb s SER 320 Cb -0.17 0.61 1.88 0.00 0.10 0.00 0.00 66.02 68.43 1qlb s SER 320 CO 0.21 -1.12 2.20 -0.65 0.98 0.00 0.00 173.24 174.86 1qlb h PRO 321 N 2.16 0.00 -0.28 4.02 0.11 -2.03 -2.04 132.00 133.94 1qlb h PRO 321 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1qlb h PRO 321 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1qlb h PRO 321 CO 0.34 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.79 1qlb n TYR 322 N -3.59 0.35 0.00 0.65 4.01 -1.26 -5.08 117.16 112.24 1qlb n TYR 322 Ca -0.01 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1qlb n TYR 322 Cb 0.19 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 1qlb n TYR 322 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qlb n GLY 323 N 1.42 0.38 3.90 2.72 0.00 -0.77 -5.06 105.19 107.78 1qlb n GLY 323 Ca 0.17 -2.23 -0.31 0.00 0.00 0.00 0.00 46.02 43.66 1qlb n GLY 323 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qlb s GLN 324 N -0.39 3.63 0.18 1.61 -0.21 -1.26 -2.18 119.66 121.04 1qlb s GLN 324 Ca 0.00 -0.06 -0.04 0.00 0.02 0.00 0.00 55.36 55.28 1qlb s GLN 324 Cb 0.00 -2.79 0.02 0.00 1.00 0.00 0.00 33.01 31.23 1qlb s GLN 324 CO 0.00 0.41 0.30 -2.39 -2.12 0.00 0.00 175.29 171.49 1qlb n HIS 325 N -0.17 -1.27 -3.98 0.91 1.44 -0.65 -4.93 115.22 106.57 1qlb n HIS 325 Ca -0.02 -1.02 0.00 0.00 -2.01 0.00 0.00 57.72 54.67 1qlb n HIS 325 Cb 0.52 0.35 0.00 0.00 0.12 0.00 0.00 29.99 30.98 1qlb n HIS 325 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1qlb n LEU 326 N 0.00 0.00 -4.35 2.39 4.77 0.29 -0.42 117.00 119.67 1qlb n LEU 326 Ca -0.02 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.67 1qlb n LEU 326 Cb 0.28 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.23 1qlb n LEU 326 CO 0.14 0.00 -0.57 0.26 -1.33 0.00 0.00 177.39 175.89 1qlb s TRP 327 N -1.36 2.27 -0.20 -1.77 0.52 -0.16 -1.71 118.94 116.53 1qlb s TRP 327 Ca 0.00 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.74 1qlb s TRP 327 Cb 0.00 -1.31 0.03 0.00 -1.15 0.00 0.00 33.47 31.04 1qlb s TRP 327 CO 0.00 0.21 -0.17 -1.17 0.02 0.00 0.00 176.95 175.84 1qlb s LEU 328 N -1.57 2.53 -0.25 2.99 2.96 0.12 -1.28 118.68 124.18 1qlb s LEU 328 Ca 0.12 -0.88 -0.04 0.00 -0.22 0.00 0.00 54.13 53.11 1qlb s LEU 328 Cb -0.10 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 45.10 1qlb s LEU 328 CO 0.04 -0.06 -0.01 -0.62 -1.32 0.00 0.00 176.35 174.37 1qlb s ASP 329 N 1.23 4.52 0.00 3.68 2.15 0.73 -0.77 116.67 128.22 1qlb s ASP 329 Ca 0.01 -0.58 0.02 0.00 0.43 0.00 0.00 52.55 52.43 1qlb s ASP 329 Cb -0.15 -1.76 -0.00 0.00 -0.30 0.00 0.00 42.92 40.71 1qlb s ASP 329 CO -0.11 -0.09 0.32 2.30 -0.17 0.00 0.00 175.17 177.43 1qlb n ILE 330 N 4.79 0.00 0.08 4.11 -0.00 -1.26 0.40 119.36 127.47 1qlb n ILE 330 Ca -0.17 -0.48 0.20 0.00 -0.00 0.00 0.00 62.75 62.31 1qlb n ILE 330 Cb 0.49 1.02 0.74 0.00 -0.00 0.00 0.00 39.64 41.90 1qlb n ILE 330 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 1qlb h SER 331 N 0.19 0.00 0.00 7.28 4.64 -1.84 0.12 113.55 123.94 1qlb h SER 331 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qlb h SER 331 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1qlb h SER 331 CO 0.00 0.00 0.13 -0.38 -0.87 0.00 0.00 176.83 175.71 1qlb n ILE 332 N -3.81 0.92 0.00 0.95 2.08 -1.26 -3.63 119.36 114.61 1qlb n ILE 332 Ca 0.08 0.36 0.00 0.00 0.56 0.00 0.00 62.75 63.74 1qlb n ILE 332 Cb 0.61 -1.36 0.00 0.00 -0.75 0.00 0.00 39.64 38.15 1qlb n ILE 332 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1qlb n LEU 333 N -1.18 0.00 -1.73 1.39 4.77 0.43 -5.00 117.00 115.68 1qlb n LEU 333 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 1qlb n LEU 333 Cb 0.13 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1qlb n LEU 333 CO 0.00 0.00 -0.19 0.61 -1.33 0.00 0.00 177.39 176.48 1qlb n GLY 334 N 4.85 1.27 0.00 -0.72 0.00 -1.24 -4.89 105.19 104.46 1qlb n GLY 334 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qlb n GLY 334 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qlb n ARG 335 N -2.39 0.00 0.00 1.61 1.85 -1.26 -5.04 116.66 111.44 1qlb n ARG 335 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.66 1qlb n ARG 335 Cb 0.62 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.03 1qlb n ARG 335 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1qlb n LYS 336 N -0.14 0.00 0.00 2.89 2.85 -1.26 -5.17 118.16 117.33 1qlb n LYS 336 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1qlb n LYS 336 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1qlb n LYS 336 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1qlb n HIS 337 N 0.00 0.00 0.00 5.58 8.25 -1.26 -5.18 115.22 122.61 1qlb n HIS 337 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1qlb n HIS 337 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1qlb n HIS 337 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1qlb n ILE 338 N 0.00 0.00 -0.90 1.59 3.06 -1.26 -5.00 119.36 116.86 1qlb n ILE 338 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1qlb n ILE 338 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1qlb n ILE 338 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1qlb n GLU 339 N 0.00 0.00 -3.67 9.51 2.13 -1.26 -4.93 120.64 122.42 1qlb n GLU 339 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1qlb n GLU 339 Cb 0.00 -2.64 -0.00 0.00 0.27 0.00 0.00 31.44 29.06 1qlb n GLU 339 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1qlb s THR 340 N -3.65 0.00 0.02 6.31 -1.32 -1.26 -5.15 115.64 110.59 1qlb s THR 340 Ca 0.00 -0.27 -0.30 0.00 -1.21 0.00 0.00 61.69 59.91 1qlb s THR 340 Cb 0.00 -2.10 -0.05 0.00 -1.51 0.00 0.00 72.50 68.84 1qlb s THR 340 CO 0.00 0.00 1.19 0.54 -2.21 0.00 0.00 174.62 174.14 1qlb s ASN 341 N -3.06 7.08 -0.47 8.08 4.22 -1.26 -4.96 114.94 124.58 1qlb s ASN 341 Ca 0.15 1.94 0.06 0.00 -2.14 0.00 0.00 52.86 52.87 1qlb s ASN 341 Cb 0.04 -2.57 0.27 0.00 1.28 0.00 0.00 41.25 40.27 1qlb s ASN 341 CO -0.03 -0.49 1.01 0.18 -2.04 0.00 0.00 177.10 175.73 1qlb n LEU 342 N 4.32 -2.57 -3.15 3.54 4.77 -1.26 -5.03 117.00 117.62 1qlb n LEU 342 Ca 0.09 -3.34 0.04 0.00 -0.03 0.00 0.00 56.01 52.78 1qlb n LEU 342 Cb 0.47 0.87 -0.01 0.00 -2.33 0.00 0.00 43.42 42.41 1qlb n LEU 342 CO 0.55 2.00 0.22 0.00 -1.33 0.00 0.00 177.39 178.83 1qlb s ARG 343 N 0.49 0.51 0.29 3.23 1.04 -1.26 -5.06 118.95 118.19 1qlb s ARG 343 Ca 0.28 0.84 0.00 0.00 -1.04 0.00 0.00 55.73 55.80 1qlb s ARG 343 Cb 0.25 0.46 0.00 0.00 -2.04 0.00 0.00 34.95 33.62 1qlb s ARG 343 CO -0.17 -0.61 0.00 -0.25 -0.04 0.00 0.00 175.30 174.23 1qlb n ASP 344 N 5.43 -2.42 -0.28 -2.89 8.00 -1.26 -4.98 116.55 118.16 1qlb n ASP 344 Ca -0.01 0.56 0.26 0.00 0.71 0.00 0.00 54.79 56.32 1qlb n ASP 344 Cb 0.52 2.41 0.47 0.00 -0.02 0.00 0.00 41.12 44.50 1qlb n ASP 344 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1qlb n VAL 345 N -3.13 -0.30 -0.19 2.53 0.31 -1.26 0.04 118.33 116.34 1qlb n VAL 345 Ca 0.00 1.54 -0.03 0.00 -0.01 0.00 0.00 64.34 65.84 1qlb n VAL 345 Cb 0.00 -2.50 0.08 0.00 -0.91 0.00 0.00 33.84 30.50 1qlb n VAL 345 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1qlb h GLN 346 N 0.00 0.52 -0.64 5.55 4.20 -1.95 -2.27 115.11 120.53 1qlb h GLN 346 Ca 0.67 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 59.38 1qlb h GLN 346 Cb 1.86 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 29.47 1qlb h GLN 346 CO -0.54 0.35 0.38 0.93 -0.67 0.00 0.00 178.83 179.27 1qlb h GLU 347 N 0.54 0.71 -0.24 1.46 4.39 -0.76 0.65 114.58 121.33 1qlb h GLU 347 Ca 0.26 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.97 1qlb h GLU 347 Cb 0.20 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 1qlb h GLU 347 CO -0.19 0.47 -0.06 0.82 -1.16 0.00 0.00 179.01 178.89 1qlb h ILE 348 N 0.73 0.77 -0.36 3.13 1.08 -1.45 0.50 117.51 121.90 1qlb h ILE 348 Ca 0.26 -0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.67 1qlb h ILE 348 Cb 0.07 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 1qlb h ILE 348 CO -0.13 0.00 -0.06 0.00 -0.69 0.00 0.00 178.15 177.28 1qlb h GLU 350 N 0.56 0.35 -0.07 0.00 5.08 -0.23 1.49 114.58 121.77 1qlb h GLU 350 Ca 0.11 -0.39 -0.10 0.00 -1.00 0.00 0.00 59.36 57.97 1qlb h GLU 350 Cb 0.44 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1qlb h GLU 350 CO 0.02 1.08 -0.42 1.88 -1.00 0.00 0.00 179.01 180.57 1qlb h TYR 351 N -0.21 0.18 0.00 4.33 0.05 0.00 -2.90 116.97 118.43 1qlb h TYR 351 Ca -0.07 -0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.62 1qlb h TYR 351 Cb 1.28 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.98 1qlb h TYR 351 CO 0.16 0.56 -0.74 1.19 -1.05 0.00 0.00 178.16 178.27 1qlb n PHE 352 N -4.02 0.00 0.35 4.88 3.01 -0.51 -4.65 117.46 116.52 1qlb n PHE 352 Ca -0.02 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.59 1qlb n PHE 352 Cb 0.48 -0.14 0.57 0.00 -0.01 0.00 0.00 39.48 40.37 1qlb n PHE 352 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qlb h ALA 353 N -0.19 1.00 -5.19 4.37 0.00 -1.21 -3.47 119.26 114.57 1qlb h ALA 353 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 1qlb h ALA 353 Cb 0.65 0.00 0.17 0.00 0.00 0.00 0.00 17.79 18.61 1qlb h ALA 353 CO -0.04 0.00 -0.72 0.41 0.00 0.00 0.00 179.25 178.89 1qlb n GLY 354 N 0.08 -0.64 3.56 0.00 0.00 0.50 -4.92 105.19 103.76 1qlb n GLY 354 Ca 0.02 0.29 -0.08 0.00 0.00 0.00 0.00 46.02 46.25 1qlb n GLY 354 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qlb s ILE 355 N -3.33 0.00 -0.34 -0.61 1.10 -0.26 -4.91 121.20 112.84 1qlb s ILE 355 Ca 0.23 0.00 -0.20 0.00 -0.51 0.00 0.00 60.65 60.17 1qlb s ILE 355 Cb -0.03 -1.00 -0.00 0.00 0.15 0.00 0.00 42.46 41.58 1qlb s ILE 355 CO 0.65 0.00 0.63 -0.62 -2.11 0.00 0.00 174.94 173.48 1qlb s ASP 356 N -1.68 6.44 0.31 4.50 2.15 -1.26 -2.33 116.67 124.80 1qlb s ASP 356 Ca 0.03 0.23 0.08 0.00 0.43 0.00 0.00 52.55 53.32 1qlb s ASP 356 Cb -0.01 -2.32 0.84 0.00 -0.30 0.00 0.00 42.92 41.12 1qlb s ASP 356 CO -0.03 -0.55 1.74 -0.65 -0.17 0.00 0.00 175.17 175.51 1qlb h PRO 357 N 8.37 0.60 0.00 4.34 0.11 -1.85 0.25 132.00 143.82 1qlb h PRO 357 Ca -0.27 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1qlb h PRO 357 Cb 1.11 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1qlb h PRO 357 CO 0.82 0.40 0.00 0.00 -0.21 0.00 0.00 178.00 179.01 1qlb n ALA 358 N -2.33 1.74 0.00 -0.75 0.00 -1.26 -3.25 120.51 114.66 1qlb n ALA 358 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1qlb n ALA 358 Cb 0.69 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1qlb n ALA 358 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1qlb n GLU 359 N -1.08 0.00 -3.18 0.00 1.02 0.81 -4.75 120.64 113.46 1qlb n GLU 359 Ca 0.06 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.98 1qlb n GLU 359 Cb 0.04 -0.01 0.00 0.00 -0.02 0.00 0.00 31.44 31.45 1qlb n GLU 359 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1qlb s LYS 360 N -1.03 3.14 0.20 3.49 1.02 -0.78 -4.91 119.74 120.87 1qlb s LYS 360 Ca 0.00 -0.59 -0.13 0.00 0.02 0.00 0.00 55.97 55.27 1qlb s LYS 360 Cb 0.00 -2.64 -0.07 0.00 -0.52 0.00 0.00 37.83 34.59 1qlb s LYS 360 CO 0.00 -0.12 0.58 -1.58 -0.92 0.00 0.00 175.35 173.31 1qlb s TRP 361 N -2.42 3.52 -0.07 3.18 0.51 -1.26 -4.43 118.94 117.97 1qlb s TRP 361 Ca 0.46 1.03 -0.17 0.00 -2.12 0.00 0.00 56.10 55.30 1qlb s TRP 361 Cb -0.10 -2.36 -0.05 0.00 -0.81 0.00 0.00 33.47 30.15 1qlb s TRP 361 CO 0.36 0.33 0.46 0.00 -0.51 0.00 0.00 176.95 177.59 1qlb s ALA 362 N -1.65 3.55 0.10 0.98 0.00 0.05 -4.85 121.76 119.95 1qlb s ALA 362 Ca 0.43 -0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 1qlb s ALA 362 Cb -0.13 -2.57 -0.06 0.00 0.00 0.00 0.00 23.12 20.36 1qlb s ALA 362 CO 0.20 0.18 1.05 -1.25 0.00 0.00 0.00 175.76 175.94 1qlb s PRO 363 N -0.04 4.59 0.07 0.00 0.04 -1.26 0.15 135.00 138.55 1qlb s PRO 363 Ca 0.25 1.59 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 1qlb s PRO 363 Cb -0.16 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 1qlb s PRO 363 CO 0.12 0.04 0.03 0.14 0.04 0.00 0.00 177.00 177.36 1qlb s VAL 364 N 0.29 0.19 -0.27 -0.36 -7.23 -0.70 -0.44 120.40 111.89 1qlb s VAL 364 Ca 0.51 -1.68 -0.25 0.00 -1.81 0.00 0.00 61.98 58.75 1qlb s VAL 364 Cb -0.26 -1.52 0.09 0.00 0.56 0.00 0.00 36.38 35.25 1qlb s VAL 364 CO 0.31 -0.88 0.84 -0.22 -0.31 0.00 0.00 175.10 174.85 1qlb s LEU 365 N -2.92 -0.63 0.42 1.32 2.96 -1.20 -0.55 118.68 118.09 1qlb s LEU 365 Ca 0.08 1.20 -0.26 0.00 -0.22 0.00 0.00 54.13 54.92 1qlb s LEU 365 Cb 0.07 2.23 -0.09 0.00 0.50 0.00 0.00 46.19 48.90 1qlb s LEU 365 CO -0.09 -0.22 1.47 -2.84 -1.32 0.00 0.00 176.35 173.35 1qlb s PRO 366 N 0.27 3.85 0.08 0.98 0.02 -1.22 -3.97 135.00 135.02 1qlb s PRO 366 Ca 0.01 2.51 -0.03 0.00 0.02 0.00 0.00 61.00 63.52 1qlb s PRO 366 Cb -0.05 -2.79 -0.03 0.00 0.02 0.00 0.00 34.50 31.65 1qlb s PRO 366 CO -0.02 -0.72 0.05 -1.64 -0.33 0.00 0.00 177.00 174.34 1qlb s MET 367 N -2.31 0.75 0.44 5.54 -1.94 -0.55 -4.93 119.30 116.30 1qlb s MET 367 Ca 0.58 -1.21 -0.25 0.00 -1.71 0.00 0.00 55.69 53.09 1qlb s MET 367 Cb -0.46 0.25 -0.09 0.00 2.01 0.00 0.00 34.83 36.55 1qlb s MET 367 CO 0.60 -0.19 1.35 0.94 -0.01 0.00 0.00 175.02 177.72 1qlb n GLN 368 N 0.02 2.07 0.00 2.03 0.00 -0.93 -0.58 117.38 120.00 1qlb n GLN 368 Ca -0.12 0.74 0.00 0.00 -0.00 0.00 0.00 57.00 57.62 1qlb n GLN 368 Cb 0.62 -2.52 0.00 0.00 0.00 0.00 0.00 30.24 28.34 1qlb n GLN 368 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1qlb n HIS 369 N -0.26 0.00 -4.14 3.69 -0.00 0.32 -1.37 115.22 113.46 1qlb n HIS 369 Ca 0.06 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.63 1qlb n HIS 369 Cb 0.41 0.34 -0.11 0.00 -0.00 0.00 0.00 29.99 30.62 1qlb n HIS 369 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 1qlb s TYR 370 N -1.87 0.99 -0.55 1.57 5.04 -0.87 -4.71 117.35 116.94 1qlb s TYR 370 Ca 0.00 -0.54 -0.03 0.00 -2.44 0.00 0.00 57.07 54.06 1qlb s TYR 370 Cb 0.00 -0.56 0.14 0.00 0.35 0.00 0.00 41.96 41.90 1qlb s TYR 370 CO 0.00 -0.01 0.37 -1.12 -1.34 0.00 0.00 175.55 173.45 1qlb s SER 371 N -1.93 5.28 0.18 4.32 0.01 -1.26 -1.55 113.70 118.74 1qlb s SER 371 Ca -0.02 -2.56 -0.13 0.00 1.31 0.00 0.00 55.95 54.55 1qlb s SER 371 Cb -0.07 -1.86 0.09 0.00 0.21 0.00 0.00 66.02 64.39 1qlb s SER 371 CO 0.01 -0.44 1.83 0.24 0.41 0.00 0.00 173.24 175.29 1qlb h MET 372 N 7.41 0.69 -7.19 12.44 2.86 -1.80 -3.43 114.93 125.91 1qlb h MET 372 Ca -0.06 -0.04 -0.47 0.00 -2.06 0.00 0.00 59.70 57.07 1qlb h MET 372 Cb 0.99 -0.16 0.21 0.00 0.06 0.00 0.00 31.60 32.70 1qlb h MET 372 CO 0.72 0.46 0.09 0.20 1.06 0.00 0.00 176.91 179.43 1qlb s GLY 373 N -2.73 1.59 0.00 8.32 0.00 -1.20 -4.57 107.32 108.74 1qlb s GLY 373 Ca -0.13 0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.72 1qlb s GLY 373 CO 0.75 0.74 0.00 0.61 0.00 0.00 0.00 173.10 175.19 1qlb n GLY 374 N 0.58 -1.05 3.69 0.20 0.00 -0.90 -4.63 105.19 103.07 1qlb n GLY 374 Ca 0.06 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 1qlb n GLY 374 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qlb s ILE 375 N -3.00 3.10 0.00 -0.61 1.01 0.80 0.29 121.20 122.78 1qlb s ILE 375 Ca 0.00 0.59 -0.30 0.00 0.00 0.00 0.00 60.65 60.94 1qlb s ILE 375 Cb 0.00 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 1qlb s ILE 375 CO 0.00 0.01 1.20 -0.60 0.00 0.00 0.00 174.94 175.54 1qlb s ARG 376 N 2.34 4.40 0.32 2.79 6.06 0.97 -0.35 118.95 135.48 1qlb s ARG 376 Ca 0.71 1.72 0.03 0.00 -2.50 0.00 0.00 55.73 55.69 1qlb s ARG 376 Cb -0.39 -3.46 -0.05 0.00 0.06 0.00 0.00 34.95 31.11 1qlb s ARG 376 CO 0.31 -0.34 0.10 0.95 -2.50 0.00 0.00 175.30 173.81 1qlb s THR 377 N 1.63 0.77 0.23 4.11 -4.23 -1.23 -4.21 115.64 112.71 1qlb s THR 377 Ca 0.57 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1qlb s THR 377 Cb -0.27 -2.62 0.05 0.00 1.34 0.00 0.00 72.50 71.00 1qlb s THR 377 CO 0.26 0.00 0.31 -0.90 -0.54 0.00 0.00 174.62 173.75 1qlb n ASP 378 N -0.78 0.36 0.18 3.99 5.68 -0.16 -4.81 116.55 121.00 1qlb n ASP 378 Ca -0.02 -1.31 0.13 0.00 -0.50 0.00 0.00 54.79 53.09 1qlb n ASP 378 Cb 0.66 -0.21 0.62 0.00 -1.14 0.00 0.00 41.12 41.05 1qlb n ASP 378 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 1qlb h TYR 379 N -0.54 0.00 0.00 2.11 -0.00 -1.90 -1.27 116.97 115.37 1qlb h TYR 379 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.63 1qlb h TYR 379 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.09 1qlb h TYR 379 CO 0.00 0.00 -0.44 0.54 -0.00 0.00 0.00 178.16 178.26 1qlb n ARG 380 N -2.40 0.07 -0.30 0.10 1.74 -1.26 -4.93 116.66 109.68 1qlb n ARG 380 Ca -0.00 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1qlb n ARG 380 Cb 0.14 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 1qlb n ARG 380 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qlb n GLY 381 N 1.46 0.83 3.83 -0.13 0.00 -0.48 -4.53 105.19 106.16 1qlb n GLY 381 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1qlb n GLY 381 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qlb s GLU 382 N -0.70 3.87 0.85 1.61 2.12 -1.26 -0.99 118.70 124.20 1qlb s GLU 382 Ca 0.00 0.24 -0.10 0.00 0.36 0.00 0.00 54.97 55.47 1qlb s GLU 382 Cb 0.00 -3.25 0.16 0.00 0.26 0.00 0.00 34.13 31.29 1qlb s GLU 382 CO 0.00 0.62 1.17 0.00 -0.54 0.00 0.00 175.26 176.51 1qlb s ALA 383 N -0.76 2.86 0.45 6.30 0.00 0.56 -0.99 121.76 130.18 1qlb s ALA 383 Ca 0.21 -1.34 0.25 0.00 0.00 0.00 0.00 51.96 51.07 1qlb s ALA 383 Cb -0.15 -2.49 1.40 0.00 0.00 0.00 0.00 23.12 21.88 1qlb s ALA 383 CO 0.10 -1.95 2.08 -0.22 0.00 0.00 0.00 175.76 175.77 1qlb h LYS 384 N -1.12 0.00 -6.40 0.00 3.64 -1.87 -3.37 116.57 107.44 1qlb h LYS 384 Ca -0.42 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.39 1qlb h LYS 384 Cb 1.26 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.00 1qlb h LYS 384 CO 0.42 0.12 0.77 -1.17 -2.27 0.00 0.00 179.45 177.32 1qlb s LEU 385 N -7.66 3.83 0.25 5.20 2.96 -1.26 -4.93 118.68 117.07 1qlb s LEU 385 Ca -0.03 0.49 -0.31 0.00 -0.22 0.00 0.00 54.13 54.06 1qlb s LEU 385 Cb 0.14 -3.41 -0.11 0.00 0.50 0.00 0.00 46.19 43.31 1qlb s LEU 385 CO 0.61 -1.08 1.58 -0.54 -1.32 0.00 0.00 176.35 175.60 1qlb s LYS 386 N 3.99 4.17 0.00 1.98 1.02 -0.64 -1.99 119.74 128.27 1qlb s LYS 386 Ca 0.43 2.49 0.00 0.00 0.02 0.00 0.00 55.97 58.91 1qlb s LYS 386 Cb -0.09 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.14 1qlb s LYS 386 CO 0.26 -0.61 0.00 0.41 -0.92 0.00 0.00 175.35 174.49 1qlb n GLY 387 N 2.77 0.87 3.48 -3.33 0.00 -1.26 0.11 105.19 107.83 1qlb n GLY 387 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1qlb n GLY 387 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qlb s LEU 388 N 0.00 3.54 0.36 0.99 2.96 -0.84 -0.82 118.68 124.87 1qlb s LEU 388 Ca 0.00 -0.16 0.09 0.00 -0.22 0.00 0.00 54.13 53.84 1qlb s LEU 388 Cb 0.00 -1.95 -0.06 0.00 0.50 0.00 0.00 46.19 44.68 1qlb s LEU 388 CO 0.00 -0.02 0.02 -0.36 -1.32 0.00 0.00 176.35 174.67 1qlb s PHE 389 N 1.53 2.53 -0.11 5.38 0.40 0.13 -0.33 117.98 127.52 1qlb s PHE 389 Ca 0.06 -0.50 -0.17 0.00 -0.60 0.00 0.00 56.93 55.72 1qlb s PHE 389 Cb -0.15 -1.58 0.04 0.00 0.51 0.00 0.00 43.02 41.84 1qlb s PHE 389 CO 0.04 0.44 0.44 0.45 0.70 0.00 0.00 175.22 177.29 1qlb s SER 390 N -3.73 -0.41 0.02 1.36 0.15 -0.17 -0.02 113.70 110.91 1qlb s SER 390 Ca 0.35 0.63 -0.13 0.00 0.70 0.00 0.00 55.95 57.51 1qlb s SER 390 Cb 0.02 0.69 0.02 0.00 -1.71 0.00 0.00 66.02 65.03 1qlb s SER 390 CO 0.19 -0.30 0.27 0.00 1.20 0.00 0.00 173.24 174.60 1qlb s ALA 391 N -0.42 -0.63 0.00 5.45 0.00 -0.98 -4.75 121.76 120.43 1qlb s ALA 391 Ca -0.06 0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1qlb s ALA 391 Cb -0.03 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1qlb s ALA 391 CO 0.03 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1qlb n GLY 392 N 0.88 -1.76 0.28 0.00 0.00 -1.26 -4.24 105.19 99.08 1qlb n GLY 392 Ca -0.20 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.23 1qlb n GLY 392 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qlb h GLU 393 N 0.00 0.00 0.00 1.61 4.81 -1.89 -1.27 114.58 117.85 1qlb h GLU 393 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qlb h GLU 393 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1qlb h GLU 393 CO 0.00 0.05 0.00 0.00 -0.73 0.00 0.00 179.01 178.33 1qlb h ALA 394 N 1.95 1.00 -1.64 2.92 0.00 -1.70 -3.42 119.26 118.36 1qlb h ALA 394 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 1qlb h ALA 394 Cb 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1qlb h ALA 394 CO 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 179.25 178.92 1qlb s ALA 395 N -3.45 4.24 -0.50 0.00 0.00 -0.48 -0.14 121.76 121.43 1qlb s ALA 395 Ca 0.03 -1.64 0.08 0.00 0.00 0.00 0.00 51.96 50.43 1qlb s ALA 395 Cb 0.09 -1.46 0.28 0.00 0.00 0.00 0.00 23.12 22.03 1qlb s ALA 395 CO 0.43 -0.14 0.70 0.00 0.00 0.00 0.00 175.76 176.76 1qlb h TRP 397 N 3.71 0.64 -4.06 0.00 7.01 -1.88 -3.27 115.95 118.11 1qlb h TRP 397 Ca 0.13 -0.10 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1qlb h TRP 397 Cb 0.76 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.65 1qlb h TRP 397 CO 0.58 0.67 -0.15 -3.47 -2.79 0.00 0.00 178.44 173.28 1qlb n ASP 398 N -4.21 -4.72 -0.17 2.65 2.03 -1.26 -4.81 116.55 106.07 1qlb n ASP 398 Ca 0.01 0.15 0.03 0.00 0.52 0.00 0.00 54.79 55.50 1qlb n ASP 398 Cb 0.32 -3.01 0.01 0.00 -0.72 0.00 0.00 41.12 37.71 1qlb n ASP 398 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 1qlb n MET 399 N -0.73 1.53 -0.04 -0.67 0.00 -1.26 -0.23 117.12 115.71 1qlb n MET 399 Ca 0.04 -0.60 0.01 0.00 0.00 0.00 0.00 57.70 57.14 1qlb n MET 399 Cb 0.31 -1.01 -0.12 0.00 0.00 0.00 0.00 33.22 32.40 1qlb n MET 399 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1qlb n HIS 400 N -0.11 0.00 0.00 3.17 8.25 -1.26 -4.84 115.22 120.43 1qlb n HIS 400 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1qlb n HIS 400 Cb 0.13 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 30.70 1qlb n HIS 400 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qlb n GLY 401 N 1.81 3.76 1.32 -1.41 0.00 -1.26 -1.93 105.19 107.48 1qlb n GLY 401 Ca -0.13 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.02 1qlb n GLY 401 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qlb n PHE 402 N 14.00 1.27 -3.15 1.61 3.01 -0.93 -4.84 117.46 128.44 1qlb n PHE 402 Ca 0.00 -0.66 0.05 0.00 1.01 0.00 0.00 57.45 57.85 1qlb n PHE 402 Cb 0.00 -0.25 -0.02 0.00 -0.01 0.00 0.00 39.48 39.20 1qlb n PHE 402 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1qlb s ASN 403 N -1.13 -0.70 0.37 4.37 0.02 -0.81 0.22 114.94 117.27 1qlb s ASN 403 Ca 0.45 0.45 -0.26 0.00 -1.02 0.00 0.00 52.86 52.48 1qlb s ASN 403 Cb 0.31 1.59 -0.09 0.00 0.02 0.00 0.00 41.25 43.08 1qlb s ASN 403 CO 0.19 -0.13 1.11 -0.60 0.02 0.00 0.00 177.10 177.68 1qlb s ARG 404 N 2.93 4.25 -0.02 -0.60 3.52 -1.26 -3.24 118.95 124.54 1qlb s ARG 404 Ca 0.05 1.71 -0.23 0.00 -0.13 0.00 0.00 55.73 57.12 1qlb s ARG 404 Cb -0.12 -2.76 -0.05 0.00 -1.56 0.00 0.00 34.95 30.47 1qlb s ARG 404 CO -0.14 -0.11 0.68 -1.17 -0.81 0.00 0.00 175.30 173.76 1qlb s LEU 405 N -2.28 4.38 -0.02 -0.88 2.96 -1.26 -4.98 118.68 116.60 1qlb s LEU 405 Ca 0.54 1.25 -0.34 0.00 -0.22 0.00 0.00 54.13 55.36 1qlb s LEU 405 Cb -0.28 -3.07 -0.12 0.00 0.50 0.00 0.00 46.19 43.22 1qlb s LEU 405 CO 0.35 -0.01 1.79 0.61 -1.32 0.00 0.00 176.35 177.77 1qlb n GLY 406 N 2.70 1.36 0.29 7.98 0.00 -1.26 -0.70 105.19 115.56 1qlb n GLY 406 Ca -0.03 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.79 1qlb n GLY 406 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qlb n GLY 407 N 4.12 0.35 0.15 -0.02 0.00 -1.26 -4.25 105.19 104.27 1qlb n GLY 407 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 1qlb n GLY 407 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1qlb h ASN 408 N 0.00 0.00 0.13 1.61 -0.26 -1.22 -0.10 115.58 115.75 1qlb h ASN 408 Ca 0.00 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.50 1qlb h ASN 408 Cb 0.00 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.27 1qlb h ASN 408 CO 0.00 0.30 -0.96 0.77 -1.06 0.00 0.00 177.43 176.48 1qlb h SER 409 N 0.00 0.75 1.02 5.81 4.64 -1.92 0.30 113.55 124.15 1qlb h SER 409 Ca -0.03 -0.58 -0.11 0.00 -0.47 0.00 0.00 61.79 60.60 1qlb h SER 409 Cb 1.26 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 1qlb h SER 409 CO 0.03 1.38 -0.50 1.62 -0.87 0.00 0.00 176.83 178.49 1qlb h VAL 410 N 0.34 1.02 -0.19 0.95 3.04 -1.88 -2.12 116.25 117.41 1qlb h VAL 410 Ca -0.10 -1.98 -0.11 0.00 -1.01 0.00 0.00 66.70 63.50 1qlb h VAL 410 Cb 1.60 2.19 -0.00 0.00 -2.01 0.00 0.00 31.29 33.07 1qlb h VAL 410 CO 0.18 0.49 -0.32 -1.28 -1.01 0.00 0.00 177.57 175.63 1qlb h SER 411 N 0.00 0.62 -0.72 3.17 0.87 -1.62 -3.10 113.55 112.76 1qlb h SER 411 Ca -0.01 -0.53 -0.04 0.00 -1.23 0.00 0.00 61.79 59.98 1qlb h SER 411 Cb 1.15 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.90 1qlb h SER 411 CO 0.07 1.03 0.29 -0.08 -0.53 0.00 0.00 176.83 177.61 1qlb h GLU 412 N 0.23 1.09 -0.26 2.24 4.81 -0.24 -0.24 114.58 122.20 1qlb h GLU 412 Ca 0.01 -0.19 0.06 0.00 -0.13 0.00 0.00 59.36 59.11 1qlb h GLU 412 Cb 0.91 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 30.05 1qlb h GLU 412 CO 0.07 0.89 -0.12 0.00 -0.73 0.00 0.00 179.01 179.12 1qlb h ALA 413 N 1.25 0.10 -0.09 2.92 0.00 -1.32 0.76 119.26 122.87 1qlb h ALA 413 Ca 0.25 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 1qlb h ALA 413 Cb 0.20 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1qlb h ALA 413 CO -0.02 -0.52 -0.31 0.28 0.00 0.00 0.00 179.25 178.67 1qlb h VAL 414 N -0.08 1.40 -0.31 0.00 2.07 -1.46 -1.56 116.25 116.31 1qlb h VAL 414 Ca 0.14 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 65.99 1qlb h VAL 414 Cb 0.29 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1qlb h VAL 414 CO -0.32 0.49 0.18 0.58 0.02 0.00 0.00 177.57 178.52 1qlb h VAL 415 N -0.09 1.11 -0.33 2.57 2.07 -0.81 -0.86 116.25 119.91 1qlb h VAL 415 Ca -0.01 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1qlb h VAL 415 Cb 0.94 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1qlb h VAL 415 CO 0.07 0.11 -0.07 0.00 0.02 0.00 0.00 177.57 177.70 1qlb h ALA 416 N 1.07 1.26 -0.62 1.67 0.00 0.46 -0.58 119.26 122.52 1qlb h ALA 416 Ca 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1qlb h ALA 416 Cb 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1qlb h ALA 416 CO -0.02 0.49 0.37 0.78 0.00 0.00 0.00 179.25 180.87 1qlb h GLY 417 N 0.91 0.89 0.33 0.00 0.00 -0.47 0.10 103.07 104.83 1qlb h GLY 417 Ca 0.10 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1qlb h GLY 417 CO 0.02 0.35 -0.03 -0.33 0.00 0.00 0.00 176.54 176.55 1qlb h MET 418 N 0.85 -0.09 0.45 4.80 2.86 -0.27 -2.26 114.93 121.27 1qlb h MET 418 Ca 0.22 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 1qlb h MET 418 Cb -0.03 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1qlb h MET 418 CO -0.04 0.47 -0.21 0.82 1.06 0.00 0.00 176.91 179.00 1qlb h ILE 419 N -0.77 0.07 -0.30 -1.22 2.04 -1.04 -2.46 117.51 113.83 1qlb h ILE 419 Ca -0.01 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.31 1qlb h ILE 419 Cb 0.60 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1qlb h ILE 419 CO 0.02 0.02 0.20 0.58 0.00 0.00 0.00 178.15 178.96 1qlb h VAL 420 N -1.14 1.00 -0.71 1.67 2.07 -0.99 -0.49 116.25 117.66 1qlb h VAL 420 Ca -0.06 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.41 1qlb h VAL 420 Cb 0.49 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1qlb h VAL 420 CO 0.10 0.05 0.43 1.23 0.02 0.00 0.00 177.57 179.40 1qlb h GLY 421 N 0.28 1.04 0.89 2.17 0.00 -1.39 0.34 103.07 106.40 1qlb h GLY 421 Ca 0.12 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1qlb h GLY 421 CO -0.03 0.23 0.07 0.83 0.00 0.00 0.00 176.54 177.65 1qlb h GLU 422 N 0.81 0.44 -0.30 4.80 4.39 -0.60 0.28 114.58 124.41 1qlb h GLU 422 Ca 0.30 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.79 1qlb h GLU 422 Cb 0.10 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1qlb h GLU 422 CO -0.14 0.53 -0.25 1.88 -1.16 0.00 0.00 179.01 179.86 1qlb h TYR 423 N 0.28 0.66 -0.34 4.33 0.05 -1.14 -0.69 116.97 120.11 1qlb h TYR 423 Ca 0.09 -0.15 -0.05 0.00 0.05 0.00 0.00 58.73 58.67 1qlb h TYR 423 Cb 0.28 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 1qlb h TYR 423 CO 0.01 0.78 0.00 0.35 -1.05 0.00 0.00 178.16 178.26 1qlb h PHE 424 N 0.51 0.66 -0.26 4.88 3.57 -0.18 -0.42 116.94 125.70 1qlb h PHE 424 Ca 0.07 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1qlb h PHE 424 Cb 0.71 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1qlb h PHE 424 CO 0.03 0.71 0.14 0.00 -2.23 0.00 0.00 178.31 176.96 1qlb h ALA 425 N 0.86 0.33 -0.32 2.41 0.00 -0.74 -0.50 119.26 121.30 1qlb h ALA 425 Ca 0.10 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1qlb h ALA 425 Cb 0.45 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1qlb h ALA 425 CO 0.02 -0.13 0.06 1.49 0.00 0.00 0.00 179.25 180.69 1qlb h GLU 426 N 0.30 0.17 -0.20 0.00 4.81 -0.96 -0.41 114.58 118.29 1qlb h GLU 426 Ca 0.09 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1qlb h GLU 426 Cb 0.08 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1qlb h GLU 426 CO -0.01 0.11 0.08 1.25 -0.73 0.00 0.00 179.01 179.71 1qlb h HIS 427 N 0.17 0.14 -0.27 0.92 2.76 -0.79 -1.11 115.15 116.99 1qlb h HIS 427 Ca 0.15 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 1qlb h HIS 427 Cb 0.17 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 1qlb h HIS 427 CO -0.18 0.08 0.04 0.00 -1.30 0.00 0.00 177.93 176.57 1qlb h ALA 429 N 1.67 0.16 0.00 0.00 0.00 -0.79 -3.37 119.26 116.93 1qlb h ALA 429 Ca 0.09 -0.84 -0.09 0.00 0.00 0.00 0.00 54.91 54.07 1qlb h ALA 429 Cb 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1qlb h ALA 429 CO 0.00 0.93 -1.48 0.09 0.00 0.00 0.00 179.25 178.78 1qlb n ASN 430 N -3.59 0.60 -4.87 0.00 5.03 -0.45 -4.96 115.26 107.02 1qlb n ASN 430 Ca -0.08 0.25 -0.30 0.00 0.87 0.00 0.00 54.58 55.31 1qlb n ASN 430 Cb 0.98 0.73 -0.00 0.00 -1.02 0.00 0.00 39.78 40.46 1qlb n ASN 430 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1qlb s THR 431 N -3.17 4.73 -0.06 3.41 -1.32 -0.01 -5.07 115.64 114.15 1qlb s THR 431 Ca -0.04 0.78 0.01 0.00 -1.21 0.00 0.00 61.69 61.23 1qlb s THR 431 Cb 0.10 -3.84 0.02 0.00 -1.51 0.00 0.00 72.50 67.27 1qlb s THR 431 CO 0.83 -0.99 -0.07 -1.10 -2.21 0.00 0.00 174.62 171.08 1qlb s GLN 432 N -4.87 1.16 0.13 7.08 -1.52 -1.26 -4.96 119.66 115.42 1qlb s GLN 432 Ca 0.54 -0.20 0.07 0.00 -1.95 0.00 0.00 55.36 53.83 1qlb s GLN 432 Cb -0.11 -1.13 -0.04 0.00 -0.22 0.00 0.00 33.01 31.52 1qlb s GLN 432 CO 0.48 -0.10 -0.08 0.08 -0.25 0.00 0.00 175.29 175.42 1qlb s VAL 433 N 1.06 3.40 -0.49 1.09 1.01 -1.26 -5.09 120.40 120.12 1qlb s VAL 433 Ca -0.08 -1.36 -0.10 0.00 0.00 0.00 0.00 61.98 60.44 1qlb s VAL 433 Cb -0.14 -2.63 0.12 0.00 0.00 0.00 0.00 36.38 33.73 1qlb s VAL 433 CO -0.01 0.04 0.38 -1.81 0.00 0.00 0.00 175.10 173.71 1qlb s ASP 434 N -2.43 5.80 -0.62 3.32 1.11 -1.26 -5.04 116.67 117.54 1qlb s ASP 434 Ca 0.23 -1.93 -0.21 0.00 0.18 0.00 0.00 52.55 50.82 1qlb s ASP 434 Cb -0.10 -2.05 0.08 0.00 1.07 0.00 0.00 42.92 41.92 1qlb s ASP 434 CO 0.15 -0.72 0.86 -0.76 1.18 0.00 0.00 175.17 175.88 1qlb s LEU 435 N 1.35 4.72 -0.18 1.23 1.43 -1.26 -5.02 118.68 120.95 1qlb s LEU 435 Ca 0.06 -1.08 -0.21 0.00 -1.03 0.00 0.00 54.13 51.87 1qlb s LEU 435 Cb -0.26 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 1qlb s LEU 435 CO -0.00 -1.29 0.61 -1.61 0.23 0.00 0.00 176.35 174.28 1qlb s GLU 436 N 3.54 4.24 0.50 1.70 2.02 -1.26 -4.94 118.70 124.50 1qlb s GLU 436 Ca 0.19 0.60 0.23 0.00 0.02 0.00 0.00 54.97 56.01 1qlb s GLU 436 Cb -0.19 -3.55 1.33 0.00 0.10 0.00 0.00 34.13 31.82 1qlb s GLU 436 CO 0.10 -0.16 2.06 1.79 0.02 0.00 0.00 175.26 179.07 1qlb h THR 437 N 5.09 0.77 -0.78 3.63 1.35 -1.99 -1.69 112.91 119.30 1qlb h THR 437 Ca -0.33 -0.51 -0.05 0.00 -0.55 0.00 0.00 66.41 64.96 1qlb h THR 437 Cb 1.15 1.30 -0.03 0.00 -1.73 0.00 0.00 68.15 68.84 1qlb h THR 437 CO 0.77 0.13 0.28 0.50 -0.25 0.00 0.00 175.52 176.94 1qlb h LYS 438 N 0.00 1.19 -0.07 4.72 3.64 -1.99 0.56 116.57 124.62 1qlb h LYS 438 Ca -0.00 -0.24 -0.25 0.00 -1.27 0.00 0.00 60.65 58.90 1qlb h LYS 438 Cb 0.29 -0.18 0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1qlb h LYS 438 CO 0.02 0.98 -0.92 1.15 -2.27 0.00 0.00 179.45 178.41 1qlb h THR 439 N 1.15 1.28 -0.12 1.00 2.02 -1.79 -2.70 112.91 113.75 1qlb h THR 439 Ca 0.26 -2.13 -0.00 0.00 0.77 0.00 0.00 66.41 65.30 1qlb h THR 439 Cb 0.27 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1qlb h THR 439 CO -0.01 0.67 0.06 -0.07 0.37 0.00 0.00 175.52 176.53 1qlb h LEU 440 N 0.45 0.16 -1.17 2.58 3.38 -1.09 -2.60 115.31 117.03 1qlb h LEU 440 Ca -0.09 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1qlb h LEU 440 Cb 1.56 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.23 1qlb h LEU 440 CO 0.18 0.24 0.48 -0.33 0.09 0.00 0.00 178.44 179.10 1qlb h GLU 441 N 0.07 1.05 0.15 1.13 5.08 -0.96 -0.95 114.58 120.14 1qlb h GLU 441 Ca 0.04 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1qlb h GLU 441 Cb 0.12 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1qlb h GLU 441 CO -0.01 0.72 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.44 1qlb h LYS 442 N 1.07 -0.19 -0.64 2.33 3.64 -1.24 0.28 116.57 121.82 1qlb h LYS 442 Ca 0.28 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.58 1qlb h LYS 442 Cb -0.06 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1qlb h LYS 442 CO -0.05 -0.13 0.04 0.74 -2.27 0.00 0.00 179.45 177.78 1qlb h PHE 443 N -0.20 1.18 0.05 1.91 0.04 -1.25 0.03 116.94 118.70 1qlb h PHE 443 Ca -0.02 -0.19 -0.00 0.00 2.80 0.00 0.00 57.97 60.56 1qlb h PHE 443 Cb 0.16 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 37.99 1qlb h PHE 443 CO -0.07 1.02 -0.02 0.28 -0.60 0.00 0.00 178.31 178.91 1qlb h VAL 444 N 1.01 1.19 0.00 -0.55 2.07 -1.03 -2.49 116.25 116.45 1qlb h VAL 444 Ca 0.19 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 1qlb h VAL 444 Cb 0.52 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1qlb h VAL 444 CO 0.02 0.21 -0.36 0.11 0.02 0.00 0.00 177.57 177.57 1qlb h LYS 445 N -0.44 0.00 -0.74 1.57 1.57 -0.97 -2.02 116.57 115.55 1qlb h LYS 445 Ca -0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1qlb h LYS 445 Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1qlb h LYS 445 CO 0.01 0.36 0.26 0.78 -0.57 0.00 0.00 179.45 180.29 1qlb h GLY 446 N 1.28 1.21 2.00 3.86 0.00 -0.89 -0.67 103.07 109.86 1qlb h GLY 446 Ca -0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 47.33 46.46 1qlb h GLY 446 CO 0.05 0.65 -0.82 1.46 0.00 0.00 0.00 176.54 177.87 1qlb h GLN 447 N 1.09 0.00 -0.44 4.80 1.08 -1.07 -1.84 115.11 118.73 1qlb h GLN 447 Ca 0.24 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.32 1qlb h GLN 447 Cb 0.27 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1qlb h GLN 447 CO -0.01 0.82 -0.19 0.93 -0.95 0.00 0.00 178.83 179.43 1qlb h GLU 448 N 0.00 0.90 -0.53 1.46 5.08 -1.11 -0.20 114.58 120.18 1qlb h GLU 448 Ca -0.01 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 57.90 1qlb h GLU 448 Cb 1.52 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 1qlb h GLU 448 CO 0.11 1.04 0.08 0.00 -1.00 0.00 0.00 179.01 179.23 1qlb h ALA 449 N 0.84 0.71 -0.44 3.43 0.00 -1.10 -1.17 119.26 121.53 1qlb h ALA 449 Ca 0.10 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1qlb h ALA 449 Cb 0.76 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1qlb h ALA 449 CO 0.06 0.46 0.28 -0.92 0.00 0.00 0.00 179.25 179.12 1qlb h TYR 450 N 0.77 0.53 -0.77 0.00 3.20 -1.08 0.23 116.97 119.85 1qlb h TYR 450 Ca 0.16 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1qlb h TYR 450 Cb 0.42 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1qlb h TYR 450 CO 0.03 0.32 0.37 0.52 -1.64 0.00 0.00 178.16 177.76 1qlb h MET 451 N 0.57 1.10 -0.57 1.82 2.86 -0.78 -2.16 114.93 117.77 1qlb h MET 451 Ca 0.17 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 1qlb h MET 451 Cb -0.04 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.40 1qlb h MET 451 CO -0.05 0.85 0.03 -0.22 1.06 0.00 0.00 176.91 178.58 1qlb h LYS 452 N 1.09 0.97 -0.37 1.72 3.64 -0.41 -2.37 116.57 120.85 1qlb h LYS 452 Ca 0.27 -0.29 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1qlb h LYS 452 Cb 0.11 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1qlb h LYS 452 CO -0.03 0.96 -0.04 0.66 -2.27 0.00 0.00 179.45 178.72 1qlb h SER 453 N 0.86 0.58 -0.31 4.20 4.64 -0.69 -0.34 113.55 122.49 1qlb h SER 453 Ca 0.16 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.30 1qlb h SER 453 Cb 0.50 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1qlb h SER 453 CO 0.02 0.68 0.01 -0.07 -0.87 0.00 0.00 176.83 176.60 1qlb h LEU 454 N 0.57 0.53 -1.02 5.97 3.38 -1.18 0.23 115.31 123.80 1qlb h LEU 454 Ca 0.11 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 1qlb h LEU 454 Cb 0.43 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1qlb h LEU 454 CO 0.02 0.70 -0.41 0.58 0.09 0.00 0.00 178.44 179.42 1qlb h VAL 455 N 0.35 1.31 0.00 1.22 2.07 -1.20 -3.03 116.25 116.96 1qlb h VAL 455 Ca 0.09 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1qlb h VAL 455 Cb 0.42 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1qlb h VAL 455 CO 0.01 0.44 -0.59 -0.62 0.02 0.00 0.00 177.57 176.83 1qlb n GLU 456 N -4.03 0.04 -1.63 1.57 1.02 -0.16 -4.87 120.64 112.57 1qlb n GLU 456 Ca -0.02 0.00 -0.47 0.00 -0.02 0.00 0.00 57.16 56.66 1qlb n GLU 456 Cb 0.47 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 1qlb n GLU 456 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1qlb n SER 457 N -1.57 2.09 -1.37 1.62 2.88 0.81 -4.86 113.62 113.22 1qlb n SER 457 Ca 0.05 1.14 0.08 0.00 -1.33 0.00 0.00 58.87 58.81 1qlb n SER 457 Cb 0.35 -1.33 0.33 0.00 -0.75 0.00 0.00 64.21 62.81 1qlb n SER 457 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1qlb n LYS 458 N 1.88 3.87 -0.98 -1.46 5.02 -1.26 -4.60 118.16 120.62 1qlb n LYS 458 Ca 0.13 -3.00 -0.32 0.00 -2.02 0.00 0.00 58.31 53.10 1qlb n LYS 458 Cb 0.28 -2.05 0.14 0.00 -0.02 0.00 0.00 35.03 33.39 1qlb n LYS 458 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1qlb s GLY 459 N -1.39 1.97 0.00 0.72 0.00 -1.26 -4.96 107.32 102.41 1qlb s GLY 459 Ca 0.48 0.73 0.13 0.00 0.00 0.00 0.00 44.72 46.06 1qlb s GLY 459 CO 0.12 1.15 0.74 -1.30 0.00 0.00 0.00 173.10 173.81 1qlb n THR 460 N -3.63 0.00 -2.26 0.90 -2.24 -0.95 -3.52 114.28 102.57 1qlb n THR 460 Ca 0.13 -0.38 -0.35 0.00 -2.27 0.00 0.00 64.05 61.18 1qlb n THR 460 Cb 0.51 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 1qlb n THR 460 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1qlb s GLU 461 N -1.54 3.36 -0.29 -0.78 0.41 -0.78 -4.82 118.70 114.27 1qlb s GLU 461 Ca 0.11 1.59 -0.09 0.00 -0.41 0.00 0.00 54.97 56.17 1qlb s GLU 461 Cb 0.10 -2.01 -0.02 0.00 -1.78 0.00 0.00 34.13 30.43 1qlb s GLU 461 CO 0.30 -0.84 0.13 0.34 -0.49 0.00 0.00 175.26 174.71 1qlb s ASP 462 N -1.80 5.46 0.30 -0.19 -1.08 -1.26 -2.32 116.67 115.77 1qlb s ASP 462 Ca 0.72 -0.40 0.02 0.00 -0.52 0.00 0.00 52.55 52.37 1qlb s ASP 462 Cb -0.23 -1.99 0.58 0.00 -1.46 0.00 0.00 42.92 39.82 1qlb s ASP 462 CO 0.27 -0.14 1.86 1.62 0.52 0.00 0.00 175.17 179.30 1qlb h VAL 463 N 5.61 0.94 -0.55 1.11 3.04 -1.95 -2.34 116.25 122.11 1qlb h VAL 463 Ca -0.34 -0.33 -0.10 0.00 -1.01 0.00 0.00 66.70 64.92 1qlb h VAL 463 Cb 1.16 -0.11 -0.02 0.00 -2.01 0.00 0.00 31.29 30.31 1qlb h VAL 463 CO 0.60 0.18 -0.05 -0.26 -1.01 0.00 0.00 177.57 177.03 1qlb h PHE 464 N 0.97 1.11 0.00 3.17 0.04 -1.97 -0.68 116.94 119.59 1qlb h PHE 464 Ca 0.47 -0.21 -0.10 0.00 2.80 0.00 0.00 57.97 60.93 1qlb h PHE 464 Cb 0.46 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1qlb h PHE 464 CO -0.00 1.02 -0.46 1.57 -0.60 0.00 0.00 178.31 179.83 1qlb h LYS 465 N 0.89 0.00 -0.28 1.51 2.10 -1.92 -0.91 116.57 117.96 1qlb h LYS 465 Ca 0.15 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.63 1qlb h LYS 465 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 1qlb h LYS 465 CO 0.04 0.46 -0.51 0.82 -2.00 0.00 0.00 179.45 178.26 1qlb h ILE 466 N 0.00 1.28 -0.41 0.07 2.04 -1.20 -0.60 117.51 118.70 1qlb h ILE 466 Ca -0.00 -1.70 -0.10 0.00 1.00 0.00 0.00 64.86 64.06 1qlb h ILE 466 Cb 1.07 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 1qlb h ILE 466 CO 0.06 0.55 -0.16 0.50 0.00 0.00 0.00 178.15 179.10 1qlb h LYS 467 N 0.62 0.76 -0.13 2.37 3.64 -0.94 -2.09 116.57 120.80 1qlb h LYS 467 Ca 0.02 -0.28 -0.15 0.00 -1.27 0.00 0.00 60.65 58.97 1qlb h LYS 467 Cb 1.12 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1qlb h LYS 467 CO 0.12 0.88 -0.54 -0.91 -2.27 0.00 0.00 179.45 176.72 1qlb h ASN 468 N 0.68 0.44 -0.29 4.20 -0.26 -1.08 -2.43 115.58 116.84 1qlb h ASN 468 Ca 0.11 -0.23 -0.09 0.00 -0.56 0.00 0.00 56.30 55.53 1qlb h ASN 468 Cb 0.65 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.77 1qlb h ASN 468 CO 0.05 0.90 -0.12 -0.09 -1.06 0.00 0.00 177.43 177.10 1qlb h ARG 469 N 0.30 0.71 -0.18 0.81 9.65 -0.91 -2.35 114.38 122.41 1qlb h ARG 469 Ca 0.01 -0.23 -0.01 0.00 -1.10 0.00 0.00 59.98 58.64 1qlb h ARG 469 Cb 1.05 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.56 1qlb h ARG 469 CO 0.09 0.81 0.07 1.98 2.80 0.00 0.00 179.97 185.72 1qlb h MET 470 N 0.64 0.26 -0.61 0.20 4.05 -1.16 -2.15 114.93 116.17 1qlb h MET 470 Ca 0.11 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 1qlb h MET 470 Cb 0.58 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.31 1qlb h MET 470 CO 0.04 0.33 0.35 0.87 0.23 0.00 0.00 176.91 178.73 1qlb h LYS 471 N 0.13 0.83 -0.22 0.39 1.57 -1.26 -1.40 116.57 116.62 1qlb h LYS 471 Ca 0.06 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1qlb h LYS 471 Cb 0.17 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1qlb h LYS 471 CO -0.01 0.60 -0.02 -0.44 -0.57 0.00 0.00 179.45 179.02 1qlb h ASP 472 N 0.85 0.40 -0.69 0.86 3.32 -1.23 -1.76 116.42 118.17 1qlb h ASP 472 Ca 0.22 -0.33 0.03 0.00 0.02 0.00 0.00 57.03 56.97 1qlb h ASP 472 Cb -0.00 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 1qlb h ASP 472 CO -0.04 0.64 0.42 0.58 -1.72 0.00 0.00 179.24 179.12 1qlb h VAL 473 N 0.16 1.07 -0.42 -1.35 2.07 -0.98 0.12 116.25 116.91 1qlb h VAL 473 Ca 0.06 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1qlb h VAL 473 Cb 0.44 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1qlb h VAL 473 CO 0.02 0.15 0.13 0.24 0.02 0.00 0.00 177.57 178.12 1qlb h MET 474 N 0.82 0.66 -0.21 1.57 2.86 -1.19 -1.03 114.93 118.41 1qlb h MET 474 Ca 0.28 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1qlb h MET 474 Cb 0.05 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1qlb h MET 474 CO -0.12 0.66 0.00 -0.44 1.06 0.00 0.00 176.91 178.07 1qlb h ASP 475 N 0.54 0.37 -0.47 1.22 3.32 -0.88 0.76 116.42 121.28 1qlb h ASP 475 Ca 0.14 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 56.77 1qlb h ASP 475 Cb 0.28 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1qlb h ASP 475 CO -0.00 0.58 -0.14 0.44 -1.72 0.00 0.00 179.24 178.40 1qlb h ASP 476 N 0.14 0.94 0.00 6.45 3.32 -0.76 -3.35 116.42 123.16 1qlb h ASP 476 Ca 0.06 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1qlb h ASP 476 Cb 0.39 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1qlb h ASP 476 CO 0.01 1.10 -0.81 0.59 -1.72 0.00 0.00 179.24 178.41 1qlb n ASN 477 N -4.21 0.98 -2.32 6.45 3.02 -0.40 -4.67 115.26 114.12 1qlb n ASN 477 Ca 0.00 -0.58 -0.19 0.00 -0.03 0.00 0.00 54.58 53.78 1qlb n ASN 477 Cb 0.41 1.14 0.02 0.00 -0.61 0.00 0.00 39.78 40.74 1qlb n ASN 477 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1qlb n VAL 478 N -1.44 2.15 -0.75 2.41 0.31 0.26 -4.59 118.33 116.68 1qlb n VAL 478 Ca 0.01 -4.06 0.00 0.00 -0.01 0.00 0.00 64.34 60.28 1qlb n VAL 478 Cb 0.22 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 1qlb n VAL 478 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qlb n GLY 479 N -0.59 1.75 0.37 2.92 0.00 -1.25 -4.85 105.19 103.55 1qlb n GLY 479 Ca 0.34 -1.82 0.03 0.00 0.00 0.00 0.00 46.02 44.56 1qlb n GLY 479 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qlb h ILE 480 N 0.00 1.10 -3.31 -0.61 2.04 -1.90 -3.40 117.51 111.42 1qlb h ILE 480 Ca 0.00 -0.40 -0.66 0.00 1.00 0.00 0.00 64.86 64.80 1qlb h ILE 480 Cb 0.00 -0.15 -0.29 0.00 -0.74 0.00 0.00 36.82 35.64 1qlb h ILE 480 CO 0.00 0.21 -0.80 -0.36 0.00 0.00 0.00 178.15 177.20 1qlb s PHE 481 N -6.00 2.74 0.11 1.37 0.08 -1.26 -4.11 117.98 110.91 1qlb s PHE 481 Ca -0.12 -0.84 0.05 0.00 0.12 0.00 0.00 56.93 56.14 1qlb s PHE 481 Cb 0.20 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 1qlb s PHE 481 CO 0.81 -0.33 -0.13 1.03 -0.10 0.00 0.00 175.22 176.51 1qlb s ARG 482 N 0.46 0.95 -0.00 0.44 0.52 0.22 -4.82 118.95 116.73 1qlb s ARG 482 Ca -0.11 -1.19 -0.12 0.00 -0.52 0.00 0.00 55.73 53.79 1qlb s ARG 482 Cb -0.16 -0.79 0.01 0.00 0.52 0.00 0.00 34.95 34.54 1qlb s ARG 482 CO 0.05 0.15 0.24 0.16 0.02 0.00 0.00 175.30 175.92 1qlb s ASP 483 N -2.39 -0.10 0.19 0.23 1.47 -1.26 -0.33 116.67 114.47 1qlb s ASP 483 Ca 0.07 -0.06 -0.18 0.00 1.18 0.00 0.00 52.55 53.56 1qlb s ASP 483 Cb -0.05 0.27 0.14 0.00 -0.34 0.00 0.00 42.92 42.95 1qlb s ASP 483 CO 0.02 -0.43 1.62 1.23 0.68 0.00 0.00 175.17 178.29 1qlb h GLY 484 N 3.95 0.14 0.27 2.12 0.00 -1.95 -1.61 103.07 105.99 1qlb h GLY 484 Ca -0.30 0.28 0.10 0.00 0.00 0.00 0.00 47.33 47.41 1qlb h GLY 484 CO 0.41 -0.22 0.12 -2.55 0.00 0.00 0.00 176.54 174.30 1qlb h PRO 485 N -0.10 0.25 -0.03 4.80 0.11 -1.99 0.40 132.00 135.43 1qlb h PRO 485 Ca 0.24 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 66.14 1qlb h PRO 485 Cb 0.47 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1qlb h PRO 485 CO -0.57 0.16 -0.82 0.45 -0.21 0.00 0.00 178.00 177.01 1qlb h HIS 486 N 0.25 0.42 -0.46 0.65 3.86 -1.87 -2.89 115.15 115.11 1qlb h HIS 486 Ca 0.29 -0.21 -0.09 0.00 -1.16 0.00 0.00 60.37 59.20 1qlb h HIS 486 Cb 0.40 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 1qlb h HIS 486 CO -0.24 0.99 -0.07 -0.07 0.86 0.00 0.00 177.93 179.40 1qlb h LEU 487 N 0.18 0.78 -0.30 2.43 3.38 -0.91 -0.91 115.31 119.96 1qlb h LEU 487 Ca -0.04 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.75 1qlb h LEU 487 Cb 1.41 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1qlb h LEU 487 CO 0.13 0.89 0.08 -0.08 0.09 0.00 0.00 178.44 179.55 1qlb h GLU 488 N 0.73 0.19 -0.40 1.13 4.57 -0.86 -0.78 114.58 119.16 1qlb h GLU 488 Ca 0.13 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.17 1qlb h GLU 488 Cb 0.54 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 1qlb h GLU 488 CO 0.03 0.13 -0.28 0.87 -1.18 0.00 0.00 179.01 178.58 1qlb h LYS 489 N 0.20 0.86 -0.30 1.92 1.57 -1.27 -2.57 116.57 116.98 1qlb h LYS 489 Ca 0.14 -0.39 -0.05 0.00 -1.87 0.00 0.00 60.65 58.48 1qlb h LYS 489 Cb 0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1qlb h LYS 489 CO -0.16 1.03 0.00 0.66 -0.57 0.00 0.00 179.45 180.41 1qlb h SER 490 N 0.73 0.51 -0.97 0.86 4.64 -0.84 -0.75 113.55 117.72 1qlb h SER 490 Ca 0.08 -0.30 0.07 0.00 -0.47 0.00 0.00 61.79 61.17 1qlb h SER 490 Cb 0.83 -0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 62.72 1qlb h SER 490 CO 0.07 0.69 0.62 0.58 -0.87 0.00 0.00 176.83 177.93 1qlb h VAL 491 N 0.32 1.07 -0.40 0.95 2.07 -1.13 0.16 116.25 119.28 1qlb h VAL 491 Ca 0.09 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 1qlb h VAL 491 Cb 0.43 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1qlb h VAL 491 CO 0.01 0.20 -0.03 0.50 0.02 0.00 0.00 177.57 178.28 1qlb h LYS 492 N 1.12 0.73 -0.08 1.57 1.63 -1.16 -1.92 116.57 118.47 1qlb h LYS 492 Ca 0.43 -0.25 -0.15 0.00 -0.85 0.00 0.00 60.65 59.83 1qlb h LYS 492 Cb 0.19 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1qlb h LYS 492 CO -0.18 0.83 -0.62 1.49 -3.45 0.00 0.00 179.45 177.52 1qlb h GLU 493 N 0.55 0.28 -0.24 1.90 4.81 -0.44 -2.28 114.58 119.16 1qlb h GLU 493 Ca 0.11 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1qlb h GLU 493 Cb 0.52 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1qlb h GLU 493 CO 0.03 0.81 0.04 -0.07 -0.73 0.00 0.00 179.01 179.08 1qlb h LEU 494 N 0.20 0.38 -1.03 1.64 3.38 -0.60 0.31 115.31 119.58 1qlb h LEU 494 Ca -0.01 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.73 1qlb h LEU 494 Cb 1.14 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 1qlb h LEU 494 CO 0.10 0.55 0.65 -0.08 0.09 0.00 0.00 178.44 179.74 1qlb h GLU 495 N 0.20 1.22 -0.37 1.13 4.81 -1.32 0.36 114.58 120.60 1qlb h GLU 495 Ca 0.07 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1qlb h GLU 495 Cb 0.33 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1qlb h GLU 495 CO 0.01 0.81 -0.31 1.49 -0.73 0.00 0.00 179.01 180.27 1qlb h GLU 496 N 1.25 0.82 -0.74 1.92 4.81 -1.08 -2.41 114.58 119.16 1qlb h GLU 496 Ca 0.39 -0.38 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1qlb h GLU 496 Cb 0.00 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1qlb h GLU 496 CO -0.12 1.02 0.23 -0.07 -0.73 0.00 0.00 179.01 179.34 1qlb h LEU 497 N 0.69 1.07 -0.84 1.64 4.07 0.10 -2.31 115.31 119.72 1qlb h LEU 497 Ca 0.08 -0.20 -0.04 0.00 0.08 0.00 0.00 57.88 57.80 1qlb h LEU 497 Cb 0.86 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 42.28 1qlb h LEU 497 CO 0.08 0.99 0.39 0.22 -1.08 0.00 0.00 178.44 179.03 1qlb h TYR 498 N 1.09 1.23 -0.19 1.13 3.20 -0.10 -1.13 116.97 122.20 1qlb h TYR 498 Ca 0.24 -0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.92 1qlb h TYR 498 Cb 0.30 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1qlb h TYR 498 CO 0.02 0.90 -0.37 0.87 -1.64 0.00 0.00 178.16 177.94 1qlb h LYS 499 N 1.21 0.43 0.00 1.82 1.57 -1.16 -2.89 116.57 117.55 1qlb h LYS 499 Ca 0.29 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 1qlb h LYS 499 Cb 0.14 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1qlb h LYS 499 CO -0.03 0.74 -0.50 0.87 -0.57 0.00 0.00 179.45 179.95 1qlb h LYS 500 N 0.36 0.00 0.00 3.15 1.57 -1.02 -3.06 116.57 117.57 1qlb h LYS 500 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1qlb h LYS 500 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 1qlb h LYS 500 CO 0.07 0.50 -0.07 0.66 -0.57 0.00 0.00 179.45 180.04 1qlb h SER 501 N 0.00 0.00 0.36 0.86 4.64 -0.99 -0.67 113.55 117.75 1qlb h SER 501 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1qlb h SER 501 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1qlb h SER 501 CO 0.07 0.07 -0.00 0.29 -0.87 0.00 0.00 176.83 176.38 1qlb n LYS 502 N -3.62 0.64 -0.64 4.77 5.02 -1.16 -3.12 118.16 120.05 1qlb n LYS 502 Ca -0.02 -0.01 0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1qlb n LYS 502 Cb 0.18 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 33.90 1qlb n LYS 502 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1qlb n ASN 503 N -1.17 2.34 -4.81 4.39 3.02 -0.26 -5.02 115.26 113.74 1qlb n ASN 503 Ca 0.18 -3.69 -0.33 0.00 -0.03 0.00 0.00 54.58 50.71 1qlb n ASN 503 Cb 0.20 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 1qlb n ASN 503 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qlb s VAL 504 N -3.17 4.09 0.02 2.41 1.01 -1.18 -1.86 120.40 121.71 1qlb s VAL 504 Ca 0.41 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.54 1qlb s VAL 504 Cb 0.38 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 1qlb s VAL 504 CO -0.01 -0.45 -0.06 -0.83 0.00 0.00 0.00 175.10 173.74 1qlb s GLY 505 N -2.53 0.37 0.16 4.51 0.00 -0.98 -3.98 107.32 104.86 1qlb s GLY 505 Ca 0.63 -0.47 0.08 0.00 0.00 0.00 0.00 44.72 44.97 1qlb s GLY 505 CO 0.27 -0.47 -0.18 -0.26 0.00 0.00 0.00 173.10 172.45 1qlb s ILE 506 N -0.69 1.80 -0.02 0.90 -4.36 -1.26 -4.68 121.20 112.88 1qlb s ILE 506 Ca -0.04 -1.90 -0.16 0.00 -0.26 0.00 0.00 60.65 58.30 1qlb s ILE 506 Cb -0.06 -1.83 -0.33 0.00 1.25 0.00 0.00 42.46 41.50 1qlb s ILE 506 CO 0.00 -0.31 0.83 0.11 0.24 0.00 0.00 174.94 175.81 1qlb h LYS 507 N 3.28 0.42 -5.83 0.37 1.57 -1.98 -3.44 116.57 110.96 1qlb h LYS 507 Ca -0.42 -0.71 -0.60 0.00 -1.87 0.00 0.00 60.65 57.04 1qlb h LYS 507 Cb 1.20 0.27 -0.10 0.00 0.08 0.00 0.00 32.23 33.68 1qlb h LYS 507 CO 0.51 1.34 0.44 -0.80 -0.57 0.00 0.00 179.45 180.36 1qlb s ASN 508 N -7.32 6.66 0.13 0.86 0.01 -1.26 -4.93 114.94 109.10 1qlb s ASN 508 Ca -0.13 0.64 0.25 0.00 -0.71 0.00 0.00 52.86 52.90 1qlb s ASN 508 Cb 0.04 -2.42 0.43 0.00 0.41 0.00 0.00 41.25 39.71 1qlb s ASN 508 CO 0.88 -0.66 1.40 1.17 -1.51 0.00 0.00 177.10 178.37 1qlb n LYS 509 N 6.32 0.28 -1.10 -0.60 3.00 -1.26 -4.79 118.16 120.00 1qlb n LYS 509 Ca 0.04 0.10 -0.33 0.00 -0.00 0.00 0.00 58.31 58.13 1qlb n LYS 509 Cb 0.48 -1.70 0.13 0.00 0.00 0.00 0.00 35.03 33.94 1qlb n LYS 509 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1qlb s ARG 510 N -3.15 1.62 0.02 1.64 1.70 -1.26 -4.95 118.95 114.57 1qlb s ARG 510 Ca 0.07 1.71 0.22 0.00 -0.47 0.00 0.00 55.73 57.26 1qlb s ARG 510 Cb 0.13 -1.78 -0.18 0.00 -0.57 0.00 0.00 34.95 32.55 1qlb s ARG 510 CO 0.70 -2.22 0.76 1.28 -1.08 0.00 0.00 175.30 174.74 1qlb n LEU 511 N -3.37 0.43 -4.93 -1.89 4.77 -1.26 -4.84 117.00 105.92 1qlb n LEU 511 Ca 0.13 -0.06 -0.26 0.00 -0.03 0.00 0.00 56.01 55.78 1qlb n LEU 511 Cb 0.51 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1qlb n LEU 511 CO 0.48 0.04 -0.11 -1.38 -1.33 0.00 0.00 177.39 175.09 1qlb s HIS 512 N -3.32 3.45 -0.47 -1.77 -3.43 -1.26 -4.19 115.29 104.30 1qlb s HIS 512 Ca -0.01 0.10 -0.13 0.00 -0.80 0.00 0.00 55.06 54.23 1qlb s HIS 512 Cb 0.14 -1.65 0.02 0.00 -1.43 0.00 0.00 32.58 29.66 1qlb s HIS 512 CO 0.86 0.52 0.27 0.00 -2.00 0.00 0.00 174.74 174.39 1qlb n ALA 513 N -0.51 -1.66 -3.97 -1.38 0.00 -0.69 -4.88 120.51 107.42 1qlb n ALA 513 Ca -0.07 -0.23 -0.32 0.00 0.00 0.00 0.00 53.44 52.82 1qlb n ALA 513 Cb 0.54 -0.93 -0.14 0.00 0.00 0.00 0.00 19.45 18.92 1qlb n ALA 513 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1qlb s ASN 514 N -4.16 4.87 0.30 0.00 3.84 -1.26 -4.97 114.94 113.56 1qlb s ASN 514 Ca 0.17 -2.14 -0.01 0.00 0.21 0.00 0.00 52.86 51.09 1qlb s ASN 514 Cb -0.10 -1.67 0.47 0.00 -0.55 0.00 0.00 41.25 39.39 1qlb s ASN 514 CO 0.39 -0.41 1.94 -0.65 -2.79 0.00 0.00 177.10 175.58 1qlb h PRO 515 N 7.70 1.07 -0.52 0.43 0.11 -1.96 -1.93 132.00 136.89 1qlb h PRO 515 Ca -0.06 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.86 1qlb h PRO 515 Cb 1.03 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 1qlb h PRO 515 CO 0.56 0.71 -0.15 1.49 -0.21 0.00 0.00 178.00 180.39 1qlb h GLU 516 N 1.10 1.03 -0.67 1.05 4.81 -1.94 -2.59 114.58 117.36 1qlb h GLU 516 Ca 0.34 -0.41 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1qlb h GLU 516 Cb -0.00 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1qlb h GLU 516 CO -0.10 1.10 0.13 1.25 -0.73 0.00 0.00 179.01 180.66 1qlb h LEU 517 N 0.90 1.05 -0.30 1.64 6.46 -1.76 -2.52 115.31 120.79 1qlb h LEU 517 Ca 0.13 -0.25 0.06 0.00 -0.12 0.00 0.00 57.88 57.70 1qlb h LEU 517 Cb 0.73 -0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 40.33 1qlb h LEU 517 CO 0.06 1.03 -0.07 -0.33 -0.62 0.00 0.00 178.44 178.51 1qlb h GLU 518 N 1.03 0.00 -0.73 1.25 5.08 -1.12 -1.91 114.58 118.17 1qlb h GLU 518 Ca 0.21 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1qlb h GLU 518 Cb 0.41 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1qlb h GLU 518 CO 0.01 0.00 0.42 0.93 -1.00 0.00 0.00 179.01 179.37 1qlb h GLU 519 N 0.00 1.01 -0.20 2.33 4.39 -1.27 -1.33 114.58 119.51 1qlb h GLU 519 Ca 0.14 -0.10 0.02 0.00 0.34 0.00 0.00 59.36 59.76 1qlb h GLU 519 Cb 0.22 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1qlb h GLU 519 CO -0.30 0.73 0.14 0.00 -1.16 0.00 0.00 179.01 178.41 1qlb h ALA 520 N 1.44 1.96 0.00 3.43 0.00 -0.91 -0.78 119.26 124.40 1qlb h ALA 520 Ca 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1qlb h ALA 520 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1qlb h ALA 520 CO -0.04 0.01 -1.91 2.48 0.00 0.00 0.00 179.25 179.79 1qlb n TYR 521 N -4.50 0.00 0.13 0.00 0.18 -1.05 -4.47 117.16 107.44 1qlb n TYR 521 Ca 0.01 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.57 1qlb n TYR 521 Cb 0.14 -0.47 -0.14 0.00 -0.38 0.00 0.00 39.34 38.49 1qlb n TYR 521 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1qlb h ARG 522 N 0.00 0.48 -0.22 -3.48 3.08 -0.94 -3.31 114.38 109.99 1qlb h ARG 522 Ca -0.02 -0.77 0.03 0.00 0.07 0.00 0.00 59.98 59.29 1qlb h ARG 522 Cb 0.94 0.28 -0.03 0.00 0.08 0.00 0.00 29.97 31.25 1qlb h ARG 522 CO 0.00 1.36 0.05 0.28 -1.07 0.00 0.00 179.97 180.59 1qlb h VAL 523 N 0.15 0.91 -0.65 2.04 2.07 -1.38 0.24 116.25 119.63 1qlb h VAL 523 Ca -0.21 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.35 1qlb h VAL 523 Cb 2.06 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 1qlb h VAL 523 CO 0.25 0.03 0.43 -0.65 0.02 0.00 0.00 177.57 177.65 1qlb h PRO 524 N 0.14 0.55 -0.31 1.57 0.11 -1.78 0.46 132.00 132.74 1qlb h PRO 524 Ca 0.10 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.10 1qlb h PRO 524 Cb 0.09 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1qlb h PRO 524 CO -0.12 0.37 -0.10 0.52 -0.21 0.00 0.00 178.00 178.45 1qlb h MET 525 N 0.57 0.62 -0.48 1.05 2.86 -1.38 -2.57 114.93 115.59 1qlb h MET 525 Ca 0.29 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1qlb h MET 525 Cb 0.40 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1qlb h MET 525 CO -0.09 0.82 0.18 0.52 1.06 0.00 0.00 176.91 179.39 1qlb h MET 526 N 0.38 0.69 -0.32 1.72 2.86 0.29 -2.26 114.93 118.29 1qlb h MET 526 Ca 0.07 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 1qlb h MET 526 Cb 0.61 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1qlb h MET 526 CO 0.04 0.58 -0.15 -0.07 1.06 0.00 0.00 176.91 178.37 1qlb h LEU 527 N 0.68 0.55 -0.60 1.22 3.38 -0.78 0.14 115.31 119.90 1qlb h LEU 527 Ca 0.16 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1qlb h LEU 527 Cb 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1qlb h LEU 527 CO -0.01 0.72 -0.46 0.11 0.09 0.00 0.00 178.44 178.89 1qlb h LYS 528 N 0.51 0.57 -0.30 1.13 1.57 -1.03 -0.68 116.57 118.35 1qlb h LYS 528 Ca 0.09 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 1qlb h LYS 528 Cb 0.55 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1qlb h LYS 528 CO 0.04 0.92 -0.07 0.28 -0.57 0.00 0.00 179.45 180.05 1qlb h VAL 529 N 0.46 1.28 -0.59 0.50 2.07 -0.95 -2.52 116.25 116.49 1qlb h VAL 529 Ca 0.03 -1.10 0.02 0.00 0.82 0.00 0.00 66.70 66.47 1qlb h VAL 529 Cb 0.98 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1qlb h VAL 529 CO 0.09 0.35 0.37 0.00 0.02 0.00 0.00 177.57 178.40 1qlb h ALA 530 N 0.80 0.75 -0.72 1.67 0.00 -0.54 -2.07 119.26 119.15 1qlb h ALA 530 Ca 0.08 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1qlb h ALA 530 Cb 0.55 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1qlb h ALA 530 CO 0.03 0.12 0.48 -0.07 0.00 0.00 0.00 179.25 179.81 1qlb h LEU 531 N 0.74 0.76 -0.59 0.00 3.38 -0.99 0.88 115.31 119.48 1qlb h LEU 531 Ca 0.23 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 1qlb h LEU 531 Cb -0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1qlb h LEU 531 CO -0.08 0.52 0.03 0.00 0.09 0.00 0.00 178.44 179.00 1qlb h VAL 533 N 0.93 0.62 0.44 0.00 2.07 -0.79 -1.35 116.25 118.17 1qlb h VAL 533 Ca 0.17 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1qlb h VAL 533 Cb 0.52 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1qlb h VAL 533 CO 0.03 0.10 -0.35 0.00 0.02 0.00 0.00 177.57 177.37 1qlb h ALA 534 N -0.33 -0.81 -0.81 1.67 0.00 -0.85 -0.17 119.26 117.96 1qlb h ALA 534 Ca -0.05 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1qlb h ALA 534 Cb 0.52 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1qlb h ALA 534 CO 0.08 -0.98 0.53 -0.22 0.00 0.00 0.00 179.25 178.66 1qlb h LYS 535 N -0.78 1.07 -0.39 0.00 1.63 -1.03 -0.45 116.57 116.61 1qlb h LYS 535 Ca -0.04 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.66 1qlb h LYS 535 Cb 0.68 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 1qlb h LYS 535 CO -0.01 0.71 0.08 0.78 -3.45 0.00 0.00 179.45 177.56 1qlb h GLY 536 N 1.10 0.62 1.34 5.01 0.00 -0.95 -1.70 103.07 108.48 1qlb h GLY 536 Ca 0.30 -0.33 -0.17 0.00 0.00 0.00 0.00 47.33 47.12 1qlb h GLY 536 CO -0.06 0.31 -0.54 0.00 0.00 0.00 0.00 176.54 176.24 1qlb h ALA 537 N 1.53 0.60 -0.18 3.60 0.00 0.39 -2.60 119.26 122.60 1qlb h ALA 537 Ca 0.13 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1qlb h ALA 537 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qlb h ALA 537 CO -0.00 0.69 -0.06 1.25 0.00 0.00 0.00 179.25 181.13 1qlb h LEU 538 N 0.54 0.36 -0.96 0.00 5.85 -0.70 -3.21 115.31 117.19 1qlb h LEU 538 Ca 0.01 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1qlb h LEU 538 Cb 1.12 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1qlb h LEU 538 CO 0.11 0.66 -0.14 0.44 -0.34 0.00 0.00 178.44 179.17 1qlb h ASP 539 N 0.06 0.00 -2.13 1.25 5.19 -1.39 -3.40 116.42 116.02 1qlb h ASP 539 Ca 0.04 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.83 1qlb h ASP 539 Cb 0.51 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 39.89 1qlb h ASP 539 CO 0.02 0.14 0.97 -0.60 -3.12 0.00 0.00 179.24 176.65 1qlb s ARG 540 N -3.53 3.39 -1.26 3.56 3.52 -0.98 -4.91 118.95 118.73 1qlb s ARG 540 Ca 0.02 -1.07 -0.10 0.00 -0.13 0.00 0.00 55.73 54.45 1qlb s ARG 540 Cb 0.09 -4.71 0.17 0.00 -1.56 0.00 0.00 34.95 28.94 1qlb s ARG 540 CO 0.62 -1.97 1.77 0.25 -0.81 0.00 0.00 175.30 175.16 1qlb n THR 541 N 6.14 4.36 -3.72 4.11 -2.24 -1.26 -4.85 114.28 116.81 1qlb n THR 541 Ca 0.15 -4.51 -0.01 0.00 -2.27 0.00 0.00 64.05 57.41 1qlb n THR 541 Cb 0.49 -2.37 -0.00 0.00 -2.10 0.00 0.00 70.33 66.34 1qlb n THR 541 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1qlb s GLU 542 N 0.54 0.80 -0.16 -0.78 -1.05 -1.26 -4.92 118.70 111.87 1qlb s GLU 542 Ca 0.40 -0.45 0.01 0.00 -0.15 0.00 0.00 54.97 54.77 1qlb s GLU 542 Cb 0.07 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 34.02 1qlb s GLU 542 CO 0.01 -0.37 -0.17 -1.12 0.95 0.00 0.00 175.26 174.56 1qlb s SER 543 N -3.05 3.46 -0.14 0.83 0.01 -0.57 -4.07 113.70 110.16 1qlb s SER 543 Ca 0.15 -0.53 -0.06 0.00 1.31 0.00 0.00 55.95 56.82 1qlb s SER 543 Cb 0.01 -1.53 0.06 0.00 0.21 0.00 0.00 66.02 64.78 1qlb s SER 543 CO -0.00 0.07 0.32 -0.60 0.41 0.00 0.00 173.24 173.43 1qlb s ARG 544 N 0.92 0.26 5.84 12.44 3.52 0.51 -2.90 118.95 139.53 1qlb s ARG 544 Ca -0.04 0.72 0.00 0.00 -0.13 0.00 0.00 55.73 56.28 1qlb s ARG 544 Cb -0.15 -0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.23 1qlb s ARG 544 CO -0.03 -0.20 0.00 0.41 -0.81 0.00 0.00 175.30 174.67 1qlb n GLY 545 N 4.66 3.32 0.00 8.12 0.00 -1.26 -0.79 105.19 119.24 1qlb n GLY 545 Ca -0.18 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 45.88 1qlb n GLY 545 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qlb n ALA 546 N 10.60 2.23 -2.58 4.61 0.00 0.13 -4.64 120.51 130.86 1qlb n ALA 546 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 1qlb n ALA 546 Cb 0.00 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.00 1qlb n ALA 546 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1qlb s HIS 547 N -2.54 3.03 -0.25 0.00 5.04 0.03 -4.84 115.29 115.76 1qlb s HIS 547 Ca 0.23 -0.15 -0.01 0.00 -1.54 0.00 0.00 55.06 53.59 1qlb s HIS 547 Cb 0.16 -3.46 0.03 0.00 0.04 0.00 0.00 32.58 29.35 1qlb s HIS 547 CO 0.36 -0.95 -0.06 -0.80 -2.34 0.00 0.00 174.74 170.95 1qlb s ASN 548 N 2.22 4.36 -0.32 9.88 0.01 -1.26 -0.37 114.94 129.46 1qlb s ASN 548 Ca 0.22 -0.92 -0.10 0.00 -0.71 0.00 0.00 52.86 51.34 1qlb s ASN 548 Cb -0.15 -1.66 -0.00 0.00 0.41 0.00 0.00 41.25 39.84 1qlb s ASN 548 CO 0.18 -0.14 0.17 -0.13 -1.51 0.00 0.00 177.10 175.67 1qlb s ARG 549 N 1.31 3.30 0.49 -0.60 1.81 -1.26 -0.61 118.95 123.39 1qlb s ARG 549 Ca -0.01 -0.75 0.23 0.00 -1.72 0.00 0.00 55.73 53.49 1qlb s ARG 549 Cb -0.17 -3.62 1.25 0.00 -0.45 0.00 0.00 34.95 31.96 1qlb s ARG 549 CO -0.04 -0.45 2.01 0.93 -0.68 0.00 0.00 175.30 177.06 1qlb h GLU 550 N 8.38 0.00 -0.00 3.54 5.08 -1.07 -1.09 114.58 129.42 1qlb h GLU 550 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1qlb h GLU 550 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1qlb h GLU 550 CO 0.62 0.17 -0.29 -0.40 -1.00 0.00 0.00 179.01 178.12 1qlb n ASP 551 N -3.78 0.39 -3.07 1.42 5.75 -1.26 -4.16 116.55 111.85 1qlb n ASP 551 Ca -0.02 -0.13 -0.17 0.00 -0.01 0.00 0.00 54.79 54.46 1qlb n ASP 551 Cb 0.27 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.34 1qlb n ASP 551 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1qlb n TYR 552 N -1.36 -0.87 0.06 2.11 4.02 -0.66 -5.01 117.16 115.46 1qlb n TYR 552 Ca 0.08 -3.24 0.04 0.00 -0.01 0.00 0.00 57.90 54.76 1qlb n TYR 552 Cb 0.33 0.16 0.20 0.00 -0.02 0.00 0.00 39.34 40.01 1qlb n TYR 552 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1qlb n PRO 553 N 0.77 0.05 -4.06 -0.72 -0.04 -0.51 -2.06 135.00 128.43 1qlb n PRO 553 Ca 0.19 0.51 -0.28 0.00 -0.04 0.00 0.00 63.50 63.88 1qlb n PRO 553 Cb 0.63 -1.73 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 1qlb n PRO 553 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1qlb s LYS 554 N -3.11 2.94 -0.30 0.54 1.02 -1.26 -4.62 119.74 114.95 1qlb s LYS 554 Ca -0.01 -0.77 -0.27 0.00 0.02 0.00 0.00 55.97 54.94 1qlb s LYS 554 Cb 0.02 -2.71 0.01 0.00 -0.52 0.00 0.00 37.83 34.63 1qlb s LYS 554 CO 0.07 0.52 0.96 0.50 -0.92 0.00 0.00 175.35 176.47 1qlb s ARG 555 N -2.83 4.05 -0.87 1.68 3.52 -0.65 -1.51 118.95 122.34 1qlb s ARG 555 Ca 0.31 0.91 -0.16 0.00 -0.13 0.00 0.00 55.73 56.65 1qlb s ARG 555 Cb -0.11 -3.72 0.18 0.00 -1.56 0.00 0.00 34.95 29.74 1qlb s ARG 555 CO 0.23 -0.78 0.92 0.34 -0.81 0.00 0.00 175.30 175.21 1qlb s ASP 556 N 1.59 6.69 0.00 -2.12 -1.08 -1.26 0.17 116.67 120.65 1qlb s ASP 556 Ca 0.40 -2.38 0.22 0.00 -0.52 0.00 0.00 52.55 50.27 1qlb s ASP 556 Cb -0.13 -2.30 1.32 0.00 -1.46 0.00 0.00 42.92 40.35 1qlb s ASP 556 CO 0.13 -0.80 1.71 0.47 0.52 0.00 0.00 175.17 177.20 1qlb n ASP 557 N 5.16 0.00 -0.11 -0.34 8.00 -0.95 -1.15 116.55 127.16 1qlb n ASP 557 Ca 0.18 -0.76 -0.25 0.00 0.71 0.00 0.00 54.79 54.66 1qlb n ASP 557 Cb 0.48 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.47 1qlb n ASP 557 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1qlb n ILE 558 N -0.97 1.54 0.63 0.53 5.41 -1.26 -4.30 119.36 120.94 1qlb n ILE 558 Ca 0.17 -0.22 0.09 0.00 1.00 0.00 0.00 62.75 63.79 1qlb n ILE 558 Cb 0.08 -1.94 -0.12 0.00 -0.71 0.00 0.00 39.64 36.95 1qlb n ILE 558 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1qlb n ASN 559 N -4.28 0.81 -0.73 4.38 3.02 -1.23 -4.64 115.26 112.59 1qlb n ASN 559 Ca -0.42 -0.67 0.05 0.00 -0.03 0.00 0.00 54.58 53.51 1qlb n ASN 559 Cb 0.79 1.25 0.10 0.00 -0.61 0.00 0.00 39.78 41.31 1qlb n ASN 559 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1qlb n TRP 560 N -1.64 0.00 -1.99 3.10 7.02 -0.30 -4.85 117.44 118.79 1qlb n TRP 560 Ca 0.02 -0.82 -0.41 0.00 -1.02 0.00 0.00 57.50 55.26 1qlb n TRP 560 Cb 0.35 -0.16 -0.00 0.00 -2.42 0.00 0.00 31.31 29.07 1qlb n TRP 560 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 1qlb n LEU 561 N -0.51 7.23 0.00 -0.99 7.94 -1.23 -4.82 117.00 124.62 1qlb n LEU 561 Ca 0.11 -4.52 -0.01 0.00 -1.11 0.00 0.00 56.01 50.48 1qlb n LEU 561 Cb 0.81 -1.52 -0.00 0.00 0.53 0.00 0.00 43.42 43.25 1qlb n LEU 561 CO -0.02 1.52 0.02 -0.46 -1.11 0.00 0.00 177.39 177.33 1qlb n ASN 562 N 4.04 -0.10 -4.07 1.96 2.04 -1.26 -1.71 115.26 116.17 1qlb n ASN 562 Ca 0.52 -1.12 -0.24 0.00 -0.44 0.00 0.00 54.58 53.31 1qlb n ASN 562 Cb 0.33 0.18 -0.16 0.00 -2.53 0.00 0.00 39.78 37.60 1qlb n ASN 562 CO 0.00 0.00 0.00 -0.60 -0.44 0.00 0.00 177.26 176.22 1qlb s ARG 563 N -2.04 1.45 -0.09 -3.83 3.52 0.12 -4.89 118.95 113.19 1qlb s ARG 563 Ca 0.02 -0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 54.86 1qlb s ARG 563 Cb -0.00 -1.28 -0.02 0.00 -1.56 0.00 0.00 34.95 32.10 1qlb s ARG 563 CO 0.01 0.16 1.06 0.99 -0.81 0.00 0.00 175.30 176.71 1qlb s THR 564 N 0.19 4.64 -0.26 4.11 2.01 -1.26 -1.13 115.64 123.93 1qlb s THR 564 Ca -0.05 1.92 -0.03 0.00 0.31 0.00 0.00 61.69 63.84 1qlb s THR 564 Cb -0.11 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.19 1qlb s THR 564 CO 0.02 0.00 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.16 1qlb s LEU 565 N 2.07 3.40 -0.05 4.42 1.43 0.24 -1.07 118.68 129.12 1qlb s LEU 565 Ca 0.50 -0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1qlb s LEU 565 Cb -0.20 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1qlb s LEU 565 CO 0.19 -0.15 0.05 0.00 0.23 0.00 0.00 176.35 176.67 1qlb s ALA 566 N 1.36 3.49 0.26 4.21 0.00 0.63 -0.86 121.76 130.85 1qlb s ALA 566 Ca 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.10 1qlb s ALA 566 Cb -0.17 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 1qlb s ALA 566 CO -0.03 0.64 0.33 -1.54 0.00 0.00 0.00 175.76 175.16 1qlb s SER 567 N -1.32 0.38 -0.41 0.00 1.04 -0.57 -0.37 113.70 112.44 1qlb s SER 567 Ca 0.18 -1.30 0.08 0.00 0.48 0.00 0.00 55.95 55.40 1qlb s SER 567 Cb -0.12 0.52 0.27 0.00 0.10 0.00 0.00 66.02 66.80 1qlb s SER 567 CO 0.08 -1.05 0.66 1.87 0.98 0.00 0.00 173.24 175.78 1qlb n TRP 568 N -0.40 -0.99 -0.04 5.02 -0.00 -1.26 -1.09 117.44 118.69 1qlb n TRP 568 Ca 0.01 -3.18 -0.08 0.00 -0.00 0.00 0.00 57.50 54.25 1qlb n TRP 568 Cb 0.63 0.12 -0.02 0.00 -0.00 0.00 0.00 31.31 32.04 1qlb n TRP 568 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1qlb h PRO 569 N 3.76 -0.24 -5.28 5.87 0.11 -1.89 -3.37 132.00 130.96 1qlb h PRO 569 Ca 0.02 0.02 -0.65 0.00 0.11 0.00 0.00 66.00 65.50 1qlb h PRO 569 Cb 0.94 0.05 -0.15 0.00 0.11 0.00 0.00 31.00 31.95 1qlb h PRO 569 CO 0.42 -0.16 0.01 1.21 -0.21 0.00 0.00 178.00 179.28 1qlb s ASN 570 N -5.03 6.32 0.07 -2.05 3.84 -1.26 -4.82 114.94 112.00 1qlb s ASN 570 Ca -0.15 -0.16 0.04 0.00 0.21 0.00 0.00 52.86 52.80 1qlb s ASN 570 Cb 0.12 -2.29 0.20 0.00 -0.55 0.00 0.00 41.25 38.73 1qlb s ASN 570 CO 0.68 -0.59 1.03 -0.81 -2.79 0.00 0.00 177.10 174.61 1qlb n PRO 571 N 5.92 0.02 0.01 0.43 -0.04 -1.26 -1.16 135.00 138.92 1qlb n PRO 571 Ca -0.04 0.45 0.11 0.00 -0.04 0.00 0.00 63.50 63.98 1qlb n PRO 571 Cb 0.48 -1.69 -0.10 0.00 -0.04 0.00 0.00 33.50 32.16 1qlb n PRO 571 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1qlb n GLU 572 N -1.56 0.33 -1.42 0.54 1.02 -1.26 -4.96 120.64 113.32 1qlb n GLU 572 Ca -0.00 -0.07 -0.33 0.00 -0.02 0.00 0.00 57.16 56.73 1qlb n GLU 572 Cb 0.11 -1.54 0.09 0.00 -0.02 0.00 0.00 31.44 30.08 1qlb n GLU 572 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1qlb s GLN 573 N -3.25 2.19 0.00 3.49 -2.07 -0.31 -4.96 119.66 114.76 1qlb s GLN 573 Ca 0.01 1.59 0.08 0.00 -1.82 0.00 0.00 55.36 55.22 1qlb s GLN 573 Cb 0.15 -1.86 0.08 0.00 -1.09 0.00 0.00 33.01 30.29 1qlb s GLN 573 CO 0.86 -1.76 0.80 0.25 -1.32 0.00 0.00 175.29 174.13 1qlb n THR 574 N -2.88 0.11 -4.23 3.63 -2.24 -1.26 -4.98 114.28 102.42 1qlb n THR 574 Ca 0.12 -0.55 -0.17 0.00 -2.27 0.00 0.00 64.05 61.18 1qlb n THR 574 Cb 0.51 1.10 -0.14 0.00 -2.10 0.00 0.00 70.33 69.70 1qlb n THR 574 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1qlb s LEU 575 N -0.71 2.09 0.78 3.22 1.43 -1.26 -4.83 118.68 119.41 1qlb s LEU 575 Ca 0.10 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 1qlb s LEU 575 Cb 0.07 -0.36 0.06 0.00 0.03 0.00 0.00 46.19 45.99 1qlb s LEU 575 CO 0.10 0.01 1.10 -2.16 0.23 0.00 0.00 176.35 175.63 1qlb s PRO 576 N -0.65 2.16 -0.25 1.29 0.04 -1.26 -4.99 135.00 131.33 1qlb s PRO 576 Ca -0.00 1.22 -0.11 0.00 0.04 0.00 0.00 61.00 62.14 1qlb s PRO 576 Cb -0.05 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1qlb s PRO 576 CO 0.00 -1.73 0.20 0.99 0.04 0.00 0.00 177.00 176.50 1qlb s THR 577 N -2.85 5.32 -0.11 1.26 2.01 -0.25 -4.95 115.64 116.07 1qlb s THR 577 Ca 0.62 0.23 -0.02 0.00 0.31 0.00 0.00 61.69 62.83 1qlb s THR 577 Cb -0.18 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1qlb s THR 577 CO 0.56 0.29 -0.02 -0.76 -0.69 0.00 0.00 174.62 174.00 1qlb s LEU 578 N 1.40 3.40 0.31 4.42 1.43 -1.26 -1.52 118.68 126.87 1qlb s LEU 578 Ca 0.08 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 1qlb s LEU 578 Cb -0.15 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1qlb s LEU 578 CO 0.07 0.29 0.12 -1.61 0.23 0.00 0.00 176.35 175.45 1qlb s GLU 579 N -0.36 1.60 -0.00 1.70 2.02 -0.04 -4.98 118.70 118.64 1qlb s GLU 579 Ca 0.06 -1.91 0.03 0.00 0.02 0.00 0.00 54.97 53.17 1qlb s GLU 579 Cb -0.12 -0.37 -0.01 0.00 0.10 0.00 0.00 34.13 33.73 1qlb s GLU 579 CO 0.02 -0.36 -0.08 0.71 0.02 0.00 0.00 175.26 175.57 1qlb s TYR 580 N -3.54 0.73 -0.28 1.61 2.02 -1.26 -0.59 117.35 116.04 1qlb s TYR 580 Ca 0.35 -0.16 -0.04 0.00 -0.37 0.00 0.00 57.07 56.85 1qlb s TYR 580 Cb 0.06 -0.46 0.03 0.00 -0.40 0.00 0.00 41.96 41.19 1qlb s TYR 580 CO 0.15 -0.01 0.01 -2.00 -1.57 0.00 0.00 175.55 172.13 1qlb s GLU 581 N -0.27 2.79 0.36 -0.62 2.12 -0.29 -4.93 118.70 117.86 1qlb s GLU 581 Ca 0.02 -1.03 -0.26 0.00 0.36 0.00 0.00 54.97 54.06 1qlb s GLU 581 Cb -0.03 -3.18 -0.09 0.00 0.26 0.00 0.00 34.13 31.08 1qlb s GLU 581 CO -0.00 -0.49 1.08 0.00 -0.54 0.00 0.00 175.26 175.31 1qlb s ALA 582 N 1.36 3.19 -0.28 6.30 0.00 -1.26 0.16 121.76 131.24 1qlb s ALA 582 Ca -0.01 0.79 -0.16 0.00 0.00 0.00 0.00 51.96 52.58 1qlb s ALA 582 Cb -0.18 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1qlb s ALA 582 CO -0.01 -0.23 0.44 -0.51 0.00 0.00 0.00 175.76 175.45 1qlb s LEU 583 N -2.24 4.08 -0.36 0.00 1.43 -0.69 -4.91 118.68 115.98 1qlb s LEU 583 Ca 0.53 0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 53.69 1qlb s LEU 583 Cb -0.26 -2.54 0.01 0.00 0.03 0.00 0.00 46.19 43.43 1qlb s LEU 583 CO 0.33 -0.26 1.35 -0.62 0.23 0.00 0.00 176.35 177.39 1qlb s ASP 584 N 1.62 6.50 0.46 2.29 -1.08 -1.26 -4.89 116.67 120.29 1qlb s ASP 584 Ca 0.18 0.98 0.11 0.00 -0.52 0.00 0.00 52.55 53.30 1qlb s ASP 584 Cb -0.16 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 39.80 1qlb s ASP 584 CO 0.10 -1.27 2.09 0.58 0.52 0.00 0.00 175.17 177.19 1qlb h VAL 585 N 6.23 1.04 0.00 1.11 2.07 -1.96 -1.52 116.25 123.22 1qlb h VAL 585 Ca -0.27 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1qlb h VAL 585 Cb 1.10 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1qlb h VAL 585 CO 1.06 0.06 -0.21 0.78 0.02 0.00 0.00 177.57 179.29 1qlb h ASN 586 N 0.32 0.00 -0.30 0.57 2.35 -1.93 -2.14 115.58 114.45 1qlb h ASN 586 Ca 0.11 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1qlb h ASN 586 Cb 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1qlb h ASN 586 CO -0.02 0.21 0.00 -0.62 -1.65 0.00 0.00 177.43 175.34 1qlb n GLU 587 N -3.62 3.06 -4.49 0.81 1.02 -0.57 -4.88 120.64 111.98 1qlb n GLU 587 Ca -0.01 -1.66 -0.34 0.00 -0.02 0.00 0.00 57.16 55.12 1qlb n GLU 587 Cb 0.34 -1.91 -0.11 0.00 -0.02 0.00 0.00 31.44 29.75 1qlb n GLU 587 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1qlb s MET 588 N -1.93 2.97 0.15 3.49 -1.94 -0.81 -4.79 119.30 116.45 1qlb s MET 588 Ca 0.29 -0.48 0.14 0.00 -1.71 0.00 0.00 55.69 53.92 1qlb s MET 588 Cb 0.22 -2.72 -0.08 0.00 2.01 0.00 0.00 34.83 34.26 1qlb s MET 588 CO 0.08 0.62 1.16 1.49 -0.01 0.00 0.00 175.02 178.36 1qlb h GLU 589 N 5.41 0.00 -4.09 2.03 4.81 -1.87 -3.43 114.58 117.43 1qlb h GLU 589 Ca -0.47 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.20 1qlb h GLU 589 Cb 1.18 0.00 -0.38 0.00 0.63 0.00 0.00 28.75 30.18 1qlb h GLU 589 CO 0.55 0.54 -0.78 0.42 -0.73 0.00 0.00 179.01 179.00 1qlb s ILE 590 N -2.87 1.11 0.58 2.32 1.01 -1.26 -5.01 121.20 117.08 1qlb s ILE 590 Ca 0.01 -0.77 -0.19 0.00 0.00 0.00 0.00 60.65 59.69 1qlb s ILE 590 Cb 0.08 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1qlb s ILE 590 CO 0.79 0.00 1.16 0.00 0.00 0.00 0.00 174.94 176.89 1qlb s ALA 591 N 1.61 2.60 0.33 9.38 0.00 -1.26 -4.95 121.76 129.47 1qlb s ALA 591 Ca -0.01 0.87 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 1qlb s ALA 591 Cb -0.17 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 1qlb s ALA 591 CO -0.07 -1.00 1.36 -2.30 0.00 0.00 0.00 175.76 173.75 1qlb n PRO 592 N -1.55 2.24 0.00 0.00 -0.02 -1.26 -4.96 135.00 129.45 1qlb n PRO 592 Ca 0.12 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1qlb n PRO 592 Cb 0.50 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1qlb n PRO 592 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1qlb n ARG 593 N 0.87 0.00 -2.49 -0.52 1.85 -1.26 -4.93 116.66 110.18 1qlb n ARG 593 Ca 0.05 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.48 1qlb n ARG 593 Cb 0.36 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.74 1qlb n ARG 593 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 1qlb s TYR 594 N -0.78 3.31 -0.11 2.89 5.04 -1.26 -4.92 117.35 121.53 1qlb s TYR 594 Ca 0.00 1.30 0.29 0.00 -2.44 0.00 0.00 57.07 56.22 1qlb s TYR 594 Cb 0.00 -3.38 1.34 0.00 0.35 0.00 0.00 41.96 40.27 1qlb s TYR 594 CO 0.00 -1.12 1.86 0.07 -1.34 0.00 0.00 175.55 175.03 1qlb h ARG 595 N 7.22 0.00 0.00 4.97 0.11 -1.95 -3.46 114.38 121.27 1qlb h ARG 595 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 1qlb h ARG 595 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1qlb h ARG 595 CO 0.85 0.00 0.00 0.41 0.10 0.00 0.00 179.97 181.33 1qlb n GLY 596 N -0.46 0.32 3.05 0.08 0.00 -1.26 -4.45 105.19 102.47 1qlb n GLY 596 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1qlb n GLY 596 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qlb s TYR 597 N -2.10 0.08 0.00 1.61 1.13 -1.26 -5.10 117.35 111.71 1qlb s TYR 597 Ca 0.00 -0.18 0.00 0.00 -1.41 0.00 0.00 57.07 55.48 1qlb s TYR 597 Cb 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 41.96 40.79 1qlb s TYR 597 CO 0.00 -0.22 0.00 0.41 -2.51 0.00 0.00 175.55 173.23 1qlb n GLY 598 N 1.74 -2.80 3.57 5.49 0.00 -1.26 -4.95 105.19 106.97 1qlb n GLY 598 Ca -0.21 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 1qlb n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qlb n ALA 599 N -0.27 -0.26 -2.01 4.61 0.00 -1.26 -4.98 120.51 116.34 1qlb n ALA 599 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.25 1qlb n ALA 599 Cb 0.00 -2.01 -0.01 0.00 0.00 0.00 0.00 19.45 17.43 1qlb n ALA 599 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1qlb s LYS 600 N -2.17 3.73 -1.40 0.00 2.47 -1.26 -4.29 119.74 116.82 1qlb s LYS 600 Ca 0.67 0.64 -0.16 0.00 -1.56 0.00 0.00 55.97 55.57 1qlb s LYS 600 Cb -0.50 -2.22 0.02 0.00 -1.46 0.00 0.00 37.83 33.67 1qlb s LYS 600 CO 0.54 -0.29 0.31 0.41 0.16 0.00 0.00 175.35 176.48 1qlb n GLY 601 N -1.99 -0.44 1.63 5.54 0.00 -1.26 -4.86 105.19 103.81 1qlb n GLY 601 Ca 0.04 0.25 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 1qlb n GLY 601 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qlb n ASN 602 N -2.54 4.18 -3.80 1.61 5.15 -1.26 -5.00 115.26 113.60 1qlb n ASN 602 Ca -0.23 -3.79 -0.13 0.00 -0.60 0.00 0.00 54.58 49.83 1qlb n ASN 602 Cb 0.64 -0.55 -0.13 0.00 -0.53 0.00 0.00 39.78 39.21 1qlb n ASN 602 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1qlb s TYR 603 N -3.49 -0.17 -0.33 1.20 -0.85 -1.26 -1.64 117.35 110.82 1qlb s TYR 603 Ca 0.50 0.43 -0.29 0.00 -0.52 0.00 0.00 57.07 57.18 1qlb s TYR 603 Cb 0.42 0.01 -0.00 0.00 0.38 0.00 0.00 41.96 42.77 1qlb s TYR 603 CO 0.01 -0.11 1.47 0.42 -1.52 0.00 0.00 175.55 175.81 1qlb s ILE 604 N 0.44 3.88 0.38 -3.49 1.09 0.13 -4.91 121.20 118.71 1qlb s ILE 604 Ca -0.03 0.95 -0.27 0.00 -1.10 0.00 0.00 60.65 60.20 1qlb s ILE 604 Cb -0.04 -4.02 -0.09 0.00 -1.06 0.00 0.00 42.46 37.25 1qlb s ILE 604 CO -0.02 -0.54 1.26 -0.70 -0.10 0.00 0.00 174.94 174.84 1qlb s GLU 605 N 4.74 4.12 -0.22 2.79 2.12 -1.26 -2.23 118.70 128.76 1qlb s GLU 605 Ca 0.64 2.08 -0.08 0.00 0.36 0.00 0.00 54.97 57.96 1qlb s GLU 605 Cb -0.18 -2.84 -0.04 0.00 0.26 0.00 0.00 34.13 31.33 1qlb s GLU 605 CO 0.29 -0.34 0.09 1.21 -0.54 0.00 0.00 175.26 175.98 1qlb s ASN 606 N -0.78 5.62 0.40 -1.70 3.84 -1.26 -4.75 114.94 116.31 1qlb s ASN 606 Ca 0.54 0.01 0.21 0.00 0.21 0.00 0.00 52.86 53.83 1qlb s ASN 606 Cb -0.36 -1.99 1.19 0.00 -0.55 0.00 0.00 41.25 39.54 1qlb s ASN 606 CO 0.47 0.09 1.71 -0.65 -2.79 0.00 0.00 177.10 175.93 1qlb h PRO 607 N 7.35 0.29 0.00 0.43 0.11 -1.95 0.32 132.00 138.55 1qlb h PRO 607 Ca -0.37 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.64 1qlb h PRO 607 Cb 1.17 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1qlb h PRO 607 CO 0.65 0.19 -0.39 -0.07 -0.21 0.00 0.00 178.00 178.17 1qlb h LEU 608 N 0.30 0.00 -0.75 2.35 3.38 -1.97 -2.54 115.31 116.07 1qlb h LEU 608 Ca 0.68 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.59 1qlb h LEU 608 Cb 1.84 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.56 1qlb h LEU 608 CO -0.37 0.39 0.22 0.28 0.09 0.00 0.00 178.44 179.05 1qlb h SER 609 N 0.00 1.10 -0.35 -0.43 0.02 -0.74 0.57 113.55 113.71 1qlb h SER 609 Ca -0.00 -0.21 -0.10 0.00 -0.84 0.00 0.00 61.79 60.63 1qlb h SER 609 Cb 0.77 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1qlb h SER 609 CO 0.05 1.02 -0.19 0.58 -1.14 0.00 0.00 176.83 177.15 1qlb h VAL 610 N 1.12 1.29 0.45 2.27 2.07 -1.47 0.19 116.25 122.17 1qlb h VAL 610 Ca 0.24 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1qlb h VAL 610 Cb 0.32 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1qlb h VAL 610 CO -0.01 0.43 -0.27 0.50 0.02 0.00 0.00 177.57 178.24 1qlb h LYS 611 N 0.53 -0.66 -0.78 1.57 1.63 -1.13 -2.03 116.57 115.70 1qlb h LYS 611 Ca 0.08 0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 1qlb h LYS 611 Cb 0.74 0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 32.48 1qlb h LYS 611 CO 0.06 -0.44 0.42 -0.09 -3.45 0.00 0.00 179.45 175.95 1qlb h ARG 612 N -0.69 1.08 -0.16 1.90 9.65 -0.89 -2.59 114.38 122.69 1qlb h ARG 612 Ca -0.05 -0.12 0.03 0.00 -1.10 0.00 0.00 59.98 58.73 1qlb h ARG 612 Cb 0.56 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 1qlb h ARG 612 CO 0.05 0.80 -0.01 0.37 2.80 0.00 0.00 179.97 183.99 1qlb h GLN 613 N 1.09 0.04 -0.50 0.20 5.75 -0.73 -0.62 115.11 120.35 1qlb h GLN 613 Ca 0.28 -0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.80 1qlb h GLN 613 Cb 0.03 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 1qlb h GLN 613 CO -0.04 0.03 0.29 0.93 -2.65 0.00 0.00 178.83 177.38 1qlb h GLU 614 N 0.05 0.55 -0.75 1.69 5.08 -1.14 -0.72 114.58 119.33 1qlb h GLU 614 Ca 0.07 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1qlb h GLU 614 Cb 0.09 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 1qlb h GLU 614 CO -0.13 0.36 0.45 1.49 -1.00 0.00 0.00 179.01 180.18 1qlb h GLU 615 N 0.57 0.81 0.15 2.33 4.81 -1.06 0.03 114.58 122.21 1qlb h GLU 615 Ca 0.21 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1qlb h GLU 615 Cb 0.06 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1qlb h GLU 615 CO -0.11 0.54 -0.07 0.82 -0.73 0.00 0.00 179.01 179.45 1qlb h ILE 616 N 0.83 0.90 -0.77 2.32 2.04 -0.43 0.67 117.51 123.07 1qlb h ILE 616 Ca 0.33 -0.17 0.11 0.00 1.00 0.00 0.00 64.86 66.12 1qlb h ILE 616 Cb 0.16 1.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.16 1qlb h ILE 616 CO -0.17 0.04 0.40 0.44 0.00 0.00 0.00 178.15 178.86 1qlb h ASP 617 N -0.28 0.53 0.43 1.72 5.19 -0.67 -1.05 116.42 122.28 1qlb h ASP 617 Ca -0.02 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1qlb h ASP 617 Cb 0.22 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1qlb h ASP 617 CO 0.03 0.28 -0.21 0.50 -3.12 0.00 0.00 179.24 176.73 1qlb h LYS 618 N 0.65 -0.56 -0.84 3.56 3.64 -0.75 -2.14 116.57 120.13 1qlb h LYS 618 Ca 0.39 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.99 1qlb h LYS 618 Cb 0.43 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.32 1qlb h LYS 618 CO -0.29 -0.26 0.56 0.82 -2.27 0.00 0.00 179.45 178.02 1qlb h ILE 619 N -0.88 0.73 0.12 2.00 2.04 -0.59 -2.24 117.51 118.69 1qlb h ILE 619 Ca -0.06 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1qlb h ILE 619 Cb 0.56 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1qlb h ILE 619 CO 0.10 0.08 -0.06 -0.61 0.00 0.00 0.00 178.15 177.65 1qlb h GLN 620 N 0.41 -0.16 -0.76 2.37 4.15 -1.15 -3.01 115.11 116.97 1qlb h GLN 620 Ca 0.43 0.01 0.16 0.00 0.77 0.00 0.00 58.65 60.02 1qlb h GLN 620 Cb 1.04 0.04 -0.10 0.00 0.21 0.00 0.00 27.48 28.66 1qlb h GLN 620 CO -0.15 0.29 0.26 0.66 -1.93 0.00 0.00 178.83 177.96 1qlb h SER 621 N -0.91 0.17 0.32 -0.69 4.64 -1.10 0.87 113.55 116.85 1qlb h SER 621 Ca -0.02 0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 1qlb h SER 621 Cb 0.52 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1qlb h SER 621 CO 0.03 0.03 -0.15 -0.33 -0.87 0.00 0.00 176.83 175.54 1qlb h GLU 622 N 0.36 -0.41 -0.77 4.77 5.08 -1.52 -1.22 114.58 120.87 1qlb h GLU 622 Ca 0.43 0.03 0.21 0.00 -1.00 0.00 0.00 59.36 59.03 1qlb h GLU 622 Cb 0.71 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 1qlb h GLU 622 CO -0.46 -0.27 0.54 -0.07 -1.00 0.00 0.00 179.01 177.75 1qlb h LEU 623 N -0.44 0.10 -0.68 1.33 3.38 -1.37 0.39 115.31 118.03 1qlb h LEU 623 Ca -0.04 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1qlb h LEU 623 Cb 0.32 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1qlb h LEU 623 CO 0.07 0.04 -0.62 -0.08 0.09 0.00 0.00 178.44 177.94 1qlb h GLU 624 N 0.10 0.14 -0.43 1.13 4.81 -0.72 -0.90 114.58 118.71 1qlb h GLU 624 Ca 0.37 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.37 1qlb h GLU 624 Cb 1.33 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 1qlb h GLU 624 CO -0.04 0.72 -0.23 0.00 -0.73 0.00 0.00 179.01 178.73 1qlb h ALA 625 N 1.25 0.61 0.00 2.92 0.00 0.10 -2.26 119.26 121.89 1qlb h ALA 625 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1qlb h ALA 625 Cb 1.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1qlb h ALA 625 CO 0.09 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.94 1qlb n ALA 626 N -2.51 2.10 -2.62 0.00 0.00 -0.72 -4.82 120.51 111.94 1qlb n ALA 626 Ca -0.01 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 1qlb n ALA 626 Cb 0.46 -1.07 0.02 0.00 0.00 0.00 0.00 19.45 18.85 1qlb n ALA 626 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qlb n GLY 627 N 0.09 -0.08 3.82 0.00 0.00 -0.85 -5.01 105.19 103.16 1qlb n GLY 627 Ca 0.03 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1qlb n GLY 627 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qlb s LYS 628 N -5.12 4.20 0.74 1.61 2.47 -0.36 -5.03 119.74 118.26 1qlb s LYS 628 Ca 0.15 0.80 -0.10 0.00 -1.56 0.00 0.00 55.97 55.27 1qlb s LYS 628 Cb -0.06 -2.86 0.06 0.00 -1.46 0.00 0.00 37.83 33.51 1qlb s LYS 628 CO 0.18 0.39 1.09 0.16 0.16 0.00 0.00 175.35 177.33 1qlb s ASP 629 N -1.70 4.79 0.56 1.43 1.47 -1.26 -4.62 116.67 117.34 1qlb s ASP 629 Ca 0.43 0.69 0.26 0.00 1.18 0.00 0.00 52.55 55.11 1qlb s ASP 629 Cb -0.16 -1.31 1.55 0.00 -0.34 0.00 0.00 42.92 42.66 1qlb s ASP 629 CO 0.20 -1.68 2.10 0.08 0.68 0.00 0.00 175.17 176.56 1qlb h ARG 630 N -0.79 0.00 -0.24 2.11 0.11 -1.98 -0.97 114.38 112.61 1qlb h ARG 630 Ca -0.45 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.45 1qlb h ARG 630 Cb 1.31 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.39 1qlb h ARG 630 CO 0.63 0.00 -0.56 0.45 0.10 0.00 0.00 179.97 180.60 1qlb h HIS 631 N 0.00 0.94 0.00 4.08 3.86 -1.99 -1.06 115.15 120.99 1qlb h HIS 631 Ca 0.10 -0.34 -0.21 0.00 -1.16 0.00 0.00 60.37 58.76 1qlb h HIS 631 Cb 0.47 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1qlb h HIS 631 CO 0.00 1.13 -0.90 0.00 0.86 0.00 0.00 177.93 179.02 1qlb h ALA 632 N 0.80 0.47 -0.27 2.45 0.00 -1.59 -2.49 119.26 118.63 1qlb h ALA 632 Ca 0.01 -0.72 -0.17 0.00 0.00 0.00 0.00 54.91 54.02 1qlb h ALA 632 Cb 1.14 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1qlb h ALA 632 CO 0.12 0.89 -0.52 0.82 0.00 0.00 0.00 179.25 180.56 1qlb h ILE 633 N 0.14 1.29 -0.24 0.00 2.04 -1.23 -2.16 117.51 117.35 1qlb h ILE 633 Ca -0.05 -1.73 -0.02 0.00 1.00 0.00 0.00 64.86 64.06 1qlb h ILE 633 Cb 1.53 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.24 1qlb h ILE 633 CO 0.14 0.56 0.08 -0.61 0.00 0.00 0.00 178.15 178.32 1qlb h GLN 634 N 0.60 0.36 -0.03 2.37 -0.00 -1.19 -1.53 115.11 115.68 1qlb h GLN 634 Ca 0.02 -0.07 -0.03 0.00 -0.00 0.00 0.00 58.65 58.57 1qlb h GLN 634 Cb 1.11 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.53 1qlb h GLN 634 CO 0.11 0.44 -0.11 1.49 0.00 0.00 0.00 178.83 180.75 1qlb h GLU 635 N 0.22 0.05 0.00 1.69 4.81 -1.41 -0.41 114.58 119.52 1qlb h GLU 635 Ca 0.08 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.15 1qlb h GLU 635 Cb 0.22 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1qlb h GLU 635 CO -0.00 0.16 -0.69 0.00 -0.73 0.00 0.00 179.01 177.75 1qlb h ALA 636 N 1.84 0.66 0.18 2.92 0.00 -1.02 -3.25 119.26 120.59 1qlb h ALA 636 Ca 0.01 -0.63 -0.30 0.00 0.00 0.00 0.00 54.91 53.99 1qlb h ALA 636 Cb 0.23 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.93 1qlb h ALA 636 CO 0.02 0.87 -1.42 -0.07 0.00 0.00 0.00 179.25 178.64 1qlb h LEU 637 N 0.00 0.60 -5.84 0.00 3.38 -0.46 -3.46 115.31 109.53 1qlb h LEU 637 Ca -0.01 -0.92 -0.00 0.00 0.09 0.00 0.00 57.88 57.04 1qlb h LEU 637 Cb 1.40 -0.19 -0.19 0.00 0.09 0.00 0.00 40.66 41.76 1qlb h LEU 637 CO 0.09 1.65 -0.36 -0.32 0.09 0.00 0.00 178.44 179.59 1qlb s MET 638 N -2.53 0.64 0.44 1.13 0.00 -0.24 -4.66 119.30 114.08 1qlb s MET 638 Ca -0.15 -0.14 -0.24 0.00 0.00 0.00 0.00 55.69 55.17 1qlb s MET 638 Cb 0.04 0.10 -0.08 0.00 0.00 0.00 0.00 34.83 34.89 1qlb s MET 638 CO 0.85 -0.96 1.21 -1.25 0.00 0.00 0.00 175.02 174.88 1qlb s PRO 639 N 1.99 3.83 0.12 4.11 0.04 -1.23 -4.69 135.00 139.17 1qlb s PRO 639 Ca 0.15 1.91 -0.00 0.00 0.04 0.00 0.00 61.00 63.10 1qlb s PRO 639 Cb -0.03 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 1qlb s PRO 639 CO -0.11 -0.53 0.01 1.52 0.04 0.00 0.00 177.00 177.93 1qlb s TYR 640 N -1.43 0.86 0.15 0.56 1.13 -1.26 -5.01 117.35 112.35 1qlb s TYR 640 Ca 0.61 -1.10 0.01 0.00 -1.41 0.00 0.00 57.07 55.18 1qlb s TYR 640 Cb -0.32 -0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 39.99 1qlb s TYR 640 CO 0.40 -0.37 0.30 -1.21 -2.51 0.00 0.00 175.55 172.17 1qlb s GLU 641 N -3.96 3.47 -0.18 -3.49 0.41 -1.26 -5.09 118.70 108.60 1qlb s GLU 641 Ca 0.18 -0.48 -0.16 0.00 -0.41 0.00 0.00 54.97 54.10 1qlb s GLU 641 Cb 0.07 -2.94 0.05 0.00 -1.78 0.00 0.00 34.13 29.53 1qlb s GLU 641 CO -0.02 0.50 0.47 -0.51 -0.49 0.00 0.00 175.26 175.22 1qlb s LEU 642 N -3.11 0.18 0.63 1.80 1.43 -1.26 -4.80 118.68 113.54 1qlb s LEU 642 Ca 0.36 0.95 -0.17 0.00 -1.03 0.00 0.00 54.13 54.24 1qlb s LEU 642 Cb -0.11 1.61 -0.01 0.00 0.03 0.00 0.00 46.19 47.70 1qlb s LEU 642 CO 0.28 -0.17 1.17 -2.16 0.23 0.00 0.00 176.35 175.71 1qlb s PRO 643 N 0.32 2.81 0.27 1.29 0.04 -1.26 -4.79 135.00 133.68 1qlb s PRO 643 Ca -0.01 1.68 -0.10 0.00 0.04 0.00 0.00 61.00 62.61 1qlb s PRO 643 Cb -0.04 -1.92 0.40 0.00 0.04 0.00 0.00 34.50 32.98 1qlb s PRO 643 CO -0.00 -1.30 1.56 0.00 0.04 0.00 0.00 177.00 177.29 1qlb n ALA 644 N -1.99 0.15 -0.26 8.56 0.00 -1.26 -1.12 120.51 124.59 1qlb n ALA 644 Ca 0.12 1.07 0.32 0.00 0.00 0.00 0.00 53.44 54.96 1qlb n ALA 644 Cb 0.50 -0.61 0.74 0.00 0.00 0.00 0.00 19.45 20.08 1qlb n ALA 644 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1qlb h LYS 645 N 0.00 0.01 0.00 0.00 1.57 -2.02 -2.91 116.57 113.22 1qlb h LYS 645 Ca 0.45 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1qlb h LYS 645 Cb 0.70 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1qlb h LYS 645 CO -1.02 0.01 -0.13 0.66 -0.57 0.00 0.00 179.45 178.40 1qlb n TYR 646 N -4.22 0.00 0.87 -1.35 4.01 -0.28 -4.71 117.16 111.48 1qlb n TYR 646 Ca 0.23 -1.04 0.06 0.00 -0.16 0.00 0.00 57.90 56.99 1qlb n TYR 646 Cb 1.12 -0.16 0.16 0.00 -0.31 0.00 0.00 39.34 40.15 1qlb n TYR 646 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1qlb n LYS 647 N -1.29 1.83 -1.79 -0.72 2.85 -1.10 -4.89 118.16 113.05 1qlb n LYS 647 Ca 0.16 -1.27 -0.31 0.00 -1.05 0.00 0.00 58.31 55.83 1qlb n LYS 647 Cb 0.66 -1.28 0.02 0.00 -0.65 0.00 0.00 35.03 33.78 1qlb n LYS 647 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qlb s ALA 648 N -1.53 2.98 0.68 0.58 0.00 -1.26 -5.05 121.76 118.16 1qlb s ALA 648 Ca 0.24 -0.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.05 1qlb s ALA 648 Cb 0.12 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1qlb s ALA 648 CO 0.16 -0.84 1.08 1.03 0.00 0.00 0.00 175.76 177.19 1qlb s ARG 649 N -5.13 3.05 -0.34 0.00 1.81 -1.26 -5.04 118.95 112.04 1qlb s ARG 649 Ca 0.56 0.52 -0.10 0.00 -1.72 0.00 0.00 55.73 54.99 1qlb s ARG 649 Cb -0.12 -2.04 0.01 0.00 -0.45 0.00 0.00 34.95 32.35 1qlb s ARG 649 CO 0.54 -0.91 0.17 -0.80 -0.68 0.00 0.00 175.30 173.62 1qlb s ASN 650 N -4.31 5.59 0.29 0.23 0.01 -1.26 -5.07 114.94 110.43 1qlb s ASN 650 Ca 0.57 -0.78 -0.29 0.00 -0.71 0.00 0.00 52.86 51.65 1qlb s ASN 650 Cb -0.11 -2.00 -0.10 0.00 0.41 0.00 0.00 41.25 39.45 1qlb s ASN 650 CO 0.52 -0.29 1.42 -0.70 -1.51 0.00 0.00 177.10 176.54 1qlb s GLU 651 N 1.57 4.26 0.13 -0.60 2.12 -1.26 -5.02 118.70 119.90 1qlb s GLU 651 Ca 0.03 2.33 0.05 0.00 0.36 0.00 0.00 54.97 57.74 1qlb s GLU 651 Cb -0.18 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1qlb s GLU 651 CO 0.06 -0.39 -0.11 1.03 -0.54 0.00 0.00 175.26 175.32 1qlb s ARG 652 N -1.01 1.00 -0.14 4.30 0.52 -1.26 -5.08 118.95 117.27 1qlb s ARG 652 Ca 0.56 -1.34 -0.33 0.00 -0.52 0.00 0.00 55.73 54.10 1qlb s ARG 652 Cb -0.42 -0.65 -0.10 0.00 0.52 0.00 0.00 34.95 34.30 1qlb s ARG 652 CO 0.49 0.09 2.00 -0.11 0.02 0.00 0.00 175.30 177.79 1qlb n LEU 653 N 0.13 3.28 -1.36 2.53 7.94 -1.26 -2.90 117.00 125.35 1qlb n LEU 653 Ca -0.13 0.74 -0.01 0.00 -1.11 0.00 0.00 56.01 55.51 1qlb n LEU 653 Cb 0.59 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 43.15 1qlb n LEU 653 CO 0.30 -0.24 0.00 0.61 -1.11 0.00 0.00 177.39 176.95 1qlb n GLY 654 N 5.00 0.61 0.21 -3.96 0.00 -1.26 -5.01 105.19 100.78 1qlb n GLY 654 Ca 0.27 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 46.10 1qlb n GLY 654 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54