#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qtt s GLU 21 N 0.00 3.53 -0.18 -1.46 2.12 -1.26 -5.08 118.70 116.38 2qtt s GLU 21 Ca 0.00 -0.59 -0.08 0.00 0.36 0.00 0.00 54.97 54.67 2qtt s GLU 21 Cb 0.00 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 2qtt s GLU 21 CO 0.00 -0.32 0.08 0.42 -0.54 0.00 0.00 175.26 174.90 2qtt s ILE 22 N 1.64 5.00 0.29 -3.70 1.01 -1.26 -5.09 121.20 119.09 2qtt s ILE 22 Ca 0.06 0.04 -0.26 0.00 0.00 0.00 0.00 60.65 60.48 2qtt s ILE 22 Cb -0.16 -3.24 -0.09 0.00 0.01 0.00 0.00 42.46 38.97 2qtt s ILE 22 CO 0.07 0.48 0.91 -0.76 0.00 0.00 0.00 174.94 175.64 2qtt s LEU 23 N 0.15 4.40 0.34 2.97 1.43 -1.26 -5.06 118.68 121.65 2qtt s LEU 23 Ca 0.06 1.79 -0.09 0.00 -1.03 0.00 0.00 54.13 54.87 2qtt s LEU 23 Cb -0.12 -3.87 0.02 0.00 0.03 0.00 0.00 46.19 42.25 2qtt s LEU 23 CO 0.00 -0.01 0.58 0.00 0.23 0.00 0.00 176.35 177.15 2qtt s ARG 24 N -1.87 1.94 0.64 1.70 1.70 -1.26 -5.10 118.95 116.69 2qtt s ARG 24 Ca 0.47 -1.54 -0.18 0.00 -0.47 0.00 0.00 55.73 54.01 2qtt s ARG 24 Cb -0.20 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.66 2qtt s ARG 24 CO 0.25 -0.84 1.01 -2.30 -1.08 0.00 0.00 175.30 172.34 2qtt n PRO 25 N -0.52 0.83 -1.66 3.89 -0.02 -1.26 -4.48 135.00 131.78 2qtt n PRO 25 Ca -0.02 0.33 -0.44 0.00 -2.02 0.00 0.00 63.50 61.34 2qtt n PRO 25 Cb 0.61 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 2qtt n PRO 25 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2qtt n ILE 26 N -1.95 1.43 -0.08 4.25 5.41 0.11 -4.89 119.36 123.64 2qtt n ILE 26 Ca 0.14 -0.36 -0.09 0.00 1.00 0.00 0.00 62.75 63.45 2qtt n ILE 26 Cb 0.48 -1.39 -0.11 0.00 -0.71 0.00 0.00 39.64 37.91 2qtt n ILE 26 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2qtt n SER 27 N 1.57 1.64 -3.96 4.38 3.41 -1.26 -4.64 113.62 114.76 2qtt n SER 27 Ca 0.09 -0.02 -0.09 0.00 -0.26 0.00 0.00 58.87 58.59 2qtt n SER 27 Cb 0.32 0.59 -0.09 0.00 -0.26 0.00 0.00 64.21 64.77 2qtt n SER 27 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2qtt s SER 28 N -5.05 0.24 0.00 4.04 1.04 -1.26 -1.11 113.70 111.61 2qtt s SER 28 Ca -0.11 -0.64 0.04 0.00 0.48 0.00 0.00 55.95 55.72 2qtt s SER 28 Cb 0.05 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 2qtt s SER 28 CO 0.56 -0.53 -0.13 0.54 0.98 0.00 0.00 173.24 174.66 2qtt s VAL 29 N -2.91 1.01 -0.12 5.02 0.11 -0.71 -1.44 120.40 121.36 2qtt s VAL 29 Ca -0.02 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 2qtt s VAL 29 Cb 0.01 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 2qtt s VAL 29 CO -0.06 0.19 -0.12 0.68 -3.33 0.00 0.00 175.10 172.46 2qtt s VAL 30 N -0.46 3.14 -0.13 2.04 -7.23 -0.54 -1.57 120.40 115.65 2qtt s VAL 30 Ca 0.04 -0.64 -0.16 0.00 -1.81 0.00 0.00 61.98 59.40 2qtt s VAL 30 Cb -0.06 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 2qtt s VAL 30 CO 0.00 0.54 0.40 -0.36 -0.31 0.00 0.00 175.10 175.37 2qtt s PHE 31 N 0.12 3.49 -0.34 2.82 0.40 0.53 -0.45 117.98 124.55 2qtt s PHE 31 Ca -0.06 0.78 -0.10 0.00 -0.60 0.00 0.00 56.93 56.95 2qtt s PHE 31 Cb -0.15 -2.47 0.01 0.00 0.51 0.00 0.00 43.02 40.93 2qtt s PHE 31 CO 0.04 0.20 0.17 0.08 0.70 0.00 0.00 175.22 176.41 2qtt s VAL 32 N 0.54 4.46 -0.18 -0.44 1.01 0.12 -0.68 120.40 125.22 2qtt s VAL 32 Ca 0.22 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.49 2qtt s VAL 32 Cb -0.14 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 32.87 2qtt s VAL 32 CO 0.08 -0.10 -0.13 -0.63 0.00 0.00 0.00 175.10 174.32 2qtt s ILE 33 N 1.56 1.68 0.18 2.22 1.01 -0.56 -2.56 121.20 124.73 2qtt s ILE 33 Ca 0.03 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 2qtt s ILE 33 Cb -0.18 -1.66 0.09 0.00 0.01 0.00 0.00 42.46 40.72 2qtt s ILE 33 CO 0.06 0.32 1.74 0.00 0.00 0.00 0.00 174.94 177.06 2qtt h ALA 34 N 7.99 0.83 -3.28 9.38 0.00 -1.84 -3.37 119.26 128.97 2qtt h ALA 34 Ca -0.34 -0.17 -0.65 0.00 0.00 0.00 0.00 54.91 53.76 2qtt h ALA 34 Cb 1.11 -0.25 -0.25 0.00 0.00 0.00 0.00 17.79 18.41 2qtt h ALA 34 CO 0.51 0.44 -0.72 -1.64 0.00 0.00 0.00 179.25 177.84 2qtt s MET 35 N -5.57 3.49 0.48 0.00 -1.94 -1.26 -4.38 119.30 110.12 2qtt s MET 35 Ca -0.13 -0.62 0.13 0.00 -1.71 0.00 0.00 55.69 53.37 2qtt s MET 35 Cb 0.13 -2.78 1.12 0.00 2.01 0.00 0.00 34.83 35.31 2qtt s MET 35 CO 0.80 0.18 2.10 0.37 -0.01 0.00 0.00 175.02 178.46 2qtt h GLN 36 N 6.85 0.14 -0.01 2.03 4.15 -1.96 -0.23 115.11 126.07 2qtt h GLN 36 Ca -0.29 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.07 2qtt h GLN 36 Cb 1.20 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 2qtt h GLN 36 CO 0.59 0.12 -0.21 0.00 -1.93 0.00 0.00 178.83 177.40 2qtt h ALA 37 N 1.90 1.63 0.00 3.38 0.00 -1.98 -1.77 119.26 122.42 2qtt h ALA 37 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2qtt h ALA 37 Cb 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2qtt h ALA 37 CO -0.00 0.28 -0.22 0.39 0.00 0.00 0.00 179.25 179.70 2qtt n GLU 38 N -4.28 0.18 0.05 0.00 1.02 -0.11 -3.78 120.64 113.72 2qtt n GLU 38 Ca -0.02 0.11 -0.18 0.00 -0.02 0.00 0.00 57.16 57.05 2qtt n GLU 38 Cb 0.28 -1.67 -0.14 0.00 -0.02 0.00 0.00 31.44 29.89 2qtt n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qtt h ALA 39 N 2.69 0.31 -0.67 0.62 0.00 -1.23 -3.41 119.26 117.55 2qtt h ALA 39 Ca 0.00 -1.17 0.10 0.00 0.00 0.00 0.00 54.91 53.84 2qtt h ALA 39 Cb 0.66 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 2qtt h ALA 39 CO 0.00 1.17 0.29 -0.07 0.00 0.00 0.00 179.25 180.64 2qtt h LEU 40 N 0.07 0.32 -1.20 0.00 3.38 -1.48 -1.01 115.31 115.40 2qtt h LEU 40 Ca -0.28 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2qtt h LEU 40 Cb 2.03 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.78 2qtt h LEU 40 CO 0.15 0.17 0.41 -0.65 0.09 0.00 0.00 178.44 178.61 2qtt h PRO 41 N 0.48 0.96 -0.39 1.13 0.11 -1.79 0.36 132.00 132.86 2qtt h PRO 41 Ca 0.34 -0.09 -0.11 0.00 0.11 0.00 0.00 66.00 66.26 2qtt h PRO 41 Cb 0.42 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 2qtt h PRO 41 CO -0.31 0.68 -0.17 1.25 -0.21 0.00 0.00 178.00 179.24 2qtt h LEU 42 N 0.97 0.83 -0.48 2.35 5.85 -1.59 0.42 115.31 123.65 2qtt h LEU 42 Ca 0.25 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.60 2qtt h LEU 42 Cb -0.02 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 2qtt h LEU 42 CO -0.05 1.05 0.27 0.58 -0.34 0.00 0.00 178.44 179.95 2qtt h VAL 43 N 0.62 1.01 -0.33 1.05 2.07 -0.66 -1.79 116.25 118.22 2qtt h VAL 43 Ca 0.09 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 2qtt h VAL 43 Cb 0.72 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2qtt h VAL 43 CO 0.05 0.10 -0.05 0.78 0.02 0.00 0.00 177.57 178.47 2qtt h ASN 44 N 0.53 0.61 -0.98 0.57 -0.26 -0.21 0.12 115.58 115.96 2qtt h ASN 44 Ca 0.20 -0.35 0.05 0.00 -0.56 0.00 0.00 56.30 55.65 2qtt h ASN 44 Cb 0.07 -0.16 -0.06 0.00 -1.06 0.00 0.00 38.32 37.10 2qtt h ASN 44 CO -0.12 0.81 0.64 0.50 -1.06 0.00 0.00 177.43 178.20 2qtt h LYS 45 N 0.39 1.14 -0.45 0.81 1.63 -0.74 -2.63 116.57 116.72 2qtt h LYS 45 Ca 0.09 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2qtt h LYS 45 Cb 0.53 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 2qtt h LYS 45 CO 0.03 0.75 0.00 1.19 -3.45 0.00 0.00 179.45 177.97 2qtt n PHE 46 N -4.47 0.59 -3.80 1.91 3.01 -0.69 -4.97 117.46 109.03 2qtt n PHE 46 Ca 0.14 -0.35 -0.26 0.00 1.01 0.00 0.00 57.45 57.99 2qtt n PHE 46 Cb 0.15 -0.01 0.04 0.00 -0.01 0.00 0.00 39.48 39.65 2qtt n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qtt n GLY 47 N 1.26 -0.43 3.78 1.37 0.00 0.24 -4.80 105.19 106.60 2qtt n GLY 47 Ca 0.18 0.18 -0.37 0.00 0.00 0.00 0.00 46.02 46.01 2qtt n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qtt s LEU 48 N -7.07 4.20 -0.14 0.99 1.43 -0.10 -4.90 118.68 113.10 2qtt s LEU 48 Ca 0.42 2.07 -0.11 0.00 -1.03 0.00 0.00 54.13 55.49 2qtt s LEU 48 Cb -0.21 -4.10 -0.05 0.00 0.03 0.00 0.00 46.19 41.87 2qtt s LEU 48 CO 0.81 -0.44 0.21 -0.44 0.23 0.00 0.00 176.35 176.73 2qtt s SER 49 N -1.46 6.41 -0.17 2.29 0.01 0.40 -4.80 113.70 116.38 2qtt s SER 49 Ca 0.56 0.48 -0.29 0.00 1.31 0.00 0.00 55.95 58.01 2qtt s SER 49 Cb -0.23 -2.13 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 2qtt s SER 49 CO 0.30 0.26 1.45 -0.70 0.41 0.00 0.00 173.24 174.95 2qtt s GLU 50 N -0.28 4.06 0.52 12.44 2.12 -1.26 -0.17 118.70 136.14 2qtt s GLU 50 Ca 0.15 1.72 -0.20 0.00 0.36 0.00 0.00 54.97 57.00 2qtt s GLU 50 Cb -0.13 -3.90 -0.06 0.00 0.26 0.00 0.00 34.13 30.30 2qtt s GLU 50 CO 0.04 -0.95 1.12 0.95 -0.54 0.00 0.00 175.26 175.88 2qtt s THR 51 N 4.19 3.23 0.00 -1.70 -4.23 0.46 -4.97 115.64 112.61 2qtt s THR 51 Ca 0.63 0.79 0.00 0.00 -1.18 0.00 0.00 61.69 61.94 2qtt s THR 51 Cb -0.24 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.26 2qtt s THR 51 CO 0.23 -0.14 0.16 0.35 -0.54 0.00 0.00 174.62 174.68 2qtt n THR 52 N -1.11 0.00 -1.16 3.99 -2.24 -1.26 -4.79 114.28 107.71 2qtt n THR 52 Ca 0.11 -0.42 -0.26 0.00 -2.27 0.00 0.00 64.05 61.20 2qtt n THR 52 Cb 0.51 1.06 0.13 0.00 -2.10 0.00 0.00 70.33 69.93 2qtt n THR 52 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2qtt n ASP 53 N -0.52 5.16 -4.05 3.42 5.75 -1.26 -4.95 116.55 120.10 2qtt n ASP 53 Ca 0.00 -3.58 -0.33 0.00 -0.01 0.00 0.00 54.79 50.87 2qtt n ASP 53 Cb 0.01 -0.88 -0.03 0.00 -1.03 0.00 0.00 41.12 39.20 2qtt n ASP 53 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2qtt n SER 54 N -0.94 -1.50 0.29 -1.12 7.64 -1.26 -4.87 113.62 111.86 2qtt n SER 54 Ca 0.57 -1.15 0.16 0.00 1.01 0.00 0.00 58.87 59.46 2qtt n SER 54 Cb 1.24 -2.38 0.89 0.00 -1.01 0.00 0.00 64.21 62.96 2qtt n SER 54 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2qtt h PRO 55 N -2.01 0.00 -0.05 1.43 0.13 -1.94 -2.06 132.00 127.50 2qtt h PRO 55 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2qtt h PRO 55 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2qtt h PRO 55 CO 0.60 0.05 0.00 1.28 -0.23 0.00 0.00 178.00 179.70 2qtt n LEU 56 N -3.52 2.79 0.00 1.56 4.77 -1.26 -4.90 117.00 116.44 2qtt n LEU 56 Ca -0.02 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 2qtt n LEU 56 Cb 0.16 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2qtt n LEU 56 CO 0.27 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 2qtt n GLY 57 N 1.19 4.34 3.77 -0.72 0.00 -0.77 -4.99 105.19 108.01 2qtt n GLY 57 Ca 0.13 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 2qtt n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qtt s LYS 58 N -4.93 4.12 -0.27 1.61 1.02 -1.26 -4.05 119.74 115.97 2qtt s LYS 58 Ca 0.00 1.82 0.00 0.00 0.02 0.00 0.00 55.97 57.81 2qtt s LYS 58 Cb 0.00 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 2qtt s LYS 58 CO 0.00 -0.26 0.00 0.41 -0.92 0.00 0.00 175.35 174.58 2qtt n GLY 59 N 0.65 0.30 3.46 -3.33 0.00 -1.26 -5.05 105.19 99.96 2qtt n GLY 59 Ca 0.04 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 2qtt n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qtt s LEU 60 N -0.85 2.59 0.00 0.99 1.43 -1.26 -5.03 118.68 116.55 2qtt s LEU 60 Ca 0.00 -0.69 0.30 0.00 -1.03 0.00 0.00 54.13 52.71 2qtt s LEU 60 Cb 0.00 -1.39 1.42 0.00 0.03 0.00 0.00 46.19 46.25 2qtt s LEU 60 CO 0.00 0.15 1.98 -0.81 0.23 0.00 0.00 176.35 177.90 2qtt n PRO 61 N 0.55 0.64 -1.76 1.29 -0.04 -1.26 -4.91 135.00 129.50 2qtt n PRO 61 Ca -0.14 -0.13 -0.40 0.00 -0.04 0.00 0.00 63.50 62.79 2qtt n PRO 61 Cb 0.54 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.53 2qtt n PRO 61 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2qtt n TRP 62 N -1.07 2.68 -4.89 0.54 8.01 -1.24 -4.22 117.44 117.25 2qtt n TRP 62 Ca 0.16 0.43 -0.33 0.00 -1.31 0.00 0.00 57.50 56.45 2qtt n TRP 62 Cb 0.24 -2.45 -0.15 0.00 -2.01 0.00 0.00 31.31 26.95 2qtt n TRP 62 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 2qtt s VAL 63 N -1.21 2.83 -0.12 -0.99 1.01 0.13 -4.95 120.40 117.10 2qtt s VAL 63 Ca 0.63 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.89 2qtt s VAL 63 Cb -0.44 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 33.79 2qtt s VAL 63 CO 0.56 0.54 -0.21 -0.22 0.00 0.00 0.00 175.10 175.77 2qtt s LEU 64 N 0.22 2.03 -0.09 3.92 2.96 1.53 -1.07 118.68 128.18 2qtt s LEU 64 Ca -0.10 -0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 53.24 2qtt s LEU 64 Cb -0.16 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 2qtt s LEU 64 CO 0.06 0.09 -0.00 -0.31 -1.32 0.00 0.00 176.35 174.86 2qtt s TYR 65 N 0.72 3.14 -0.01 5.38 2.02 4.91 -0.41 117.35 133.11 2qtt s TYR 65 Ca -0.10 0.16 0.03 0.00 -0.37 0.00 0.00 57.07 56.79 2qtt s TYR 65 Cb -0.16 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.60 2qtt s TYR 65 CO 0.01 0.43 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.74 2qtt s HIS 66 N -0.80 0.97 0.08 2.71 5.65 0.76 -0.24 115.29 124.42 2qtt s HIS 66 Ca 0.12 -0.19 -0.04 0.00 0.25 0.00 0.00 55.06 55.20 2qtt s HIS 66 Cb -0.11 -0.63 0.02 0.00 -1.18 0.00 0.00 32.58 30.68 2qtt s HIS 66 CO 0.02 -0.02 0.22 0.41 -0.65 0.00 0.00 174.74 174.72 2qtt n GLY 67 N 2.84 1.53 2.88 1.59 0.00 -0.45 -0.45 105.19 113.13 2qtt n GLY 67 Ca -0.14 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.68 2qtt n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qtt s VAL 68 N -2.66 0.28 -0.30 1.61 0.11 -1.26 -0.80 120.40 117.38 2qtt s VAL 68 Ca 0.05 -0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.07 2qtt s VAL 68 Cb -0.01 -0.31 0.08 0.00 -1.53 0.00 0.00 36.38 34.61 2qtt s VAL 68 CO 0.02 0.13 -0.02 -2.28 -3.33 0.00 0.00 175.10 169.62 2qtt s HIS 69 N 0.49 3.46 0.00 1.54 5.04 0.13 -4.98 115.29 120.96 2qtt s HIS 69 Ca -0.05 -2.64 0.00 0.00 -1.54 0.00 0.00 55.06 50.83 2qtt s HIS 69 Cb -0.08 -2.42 0.00 0.00 0.04 0.00 0.00 32.58 30.12 2qtt s HIS 69 CO -0.01 -0.91 0.00 1.63 -2.34 0.00 0.00 174.74 173.11 2qtt n LYS 70 N 4.36 0.00 -0.21 2.88 5.02 -1.26 -1.20 118.16 127.75 2qtt n LYS 70 Ca -0.05 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.27 2qtt n LYS 70 Cb 0.42 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.54 2qtt n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2qtt n ASP 71 N 5.77 2.04 -4.11 4.39 8.00 -1.26 -4.86 116.55 126.52 2qtt n ASP 71 Ca 0.00 -2.20 -0.29 0.00 0.71 0.00 0.00 54.79 53.01 2qtt n ASP 71 Cb 0.00 -0.47 -0.17 0.00 -0.02 0.00 0.00 41.12 40.46 2qtt n ASP 71 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qtt s LEU 72 N -0.79 1.87 0.05 0.64 2.96 -0.34 -4.77 118.68 118.30 2qtt s LEU 72 Ca 0.14 -0.46 -0.28 0.00 -0.22 0.00 0.00 54.13 53.30 2qtt s LEU 72 Cb 0.10 -1.18 -0.05 0.00 0.50 0.00 0.00 46.19 45.57 2qtt s LEU 72 CO 0.05 0.07 0.90 -0.13 -1.32 0.00 0.00 176.35 175.93 2qtt s ARG 73 N 0.71 4.59 -0.19 1.98 0.52 -0.27 -0.69 118.95 125.60 2qtt s ARG 73 Ca -0.12 1.31 0.01 0.00 -0.52 0.00 0.00 55.73 56.42 2qtt s ARG 73 Cb -0.16 -3.41 0.03 0.00 0.52 0.00 0.00 34.95 31.93 2qtt s ARG 73 CO 0.03 0.13 -0.17 0.42 0.02 0.00 0.00 175.30 175.72 2qtt s ILE 74 N 0.38 1.98 -0.14 1.52 1.01 0.02 -1.73 121.20 124.24 2qtt s ILE 74 Ca 0.46 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2qtt s ILE 74 Cb -0.22 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 2qtt s ILE 74 CO 0.27 0.43 -0.14 0.20 0.00 0.00 0.00 174.94 175.69 2qtt s ASN 75 N 1.30 3.88 -0.18 3.58 0.01 -0.61 -1.34 114.94 121.58 2qtt s ASN 75 Ca 0.03 -0.38 -0.00 0.00 -0.71 0.00 0.00 52.86 51.80 2qtt s ASN 75 Cb -0.14 -1.59 0.01 0.00 0.41 0.00 0.00 41.25 39.94 2qtt s ASN 75 CO -0.11 0.14 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.77 2qtt s VAL 76 N 0.48 2.46 -0.09 1.60 1.01 0.67 -0.34 120.40 126.19 2qtt s VAL 76 Ca -0.10 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.10 2qtt s VAL 76 Cb -0.16 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 2qtt s VAL 76 CO 0.04 0.51 -0.17 0.54 0.00 0.00 0.00 175.10 176.02 2qtt s VAL 77 N 1.25 2.75 0.02 2.92 0.11 0.14 -0.11 120.40 127.47 2qtt s VAL 77 Ca 0.03 -0.80 0.05 0.00 -2.93 0.00 0.00 61.98 58.33 2qtt s VAL 77 Cb -0.14 -2.10 -0.02 0.00 -1.53 0.00 0.00 36.38 32.60 2qtt s VAL 77 CO -0.08 0.55 -0.14 0.00 -3.33 0.00 0.00 175.10 172.10 2qtt h PRO 79 N 5.29 0.00 0.00 0.00 0.13 -1.77 0.40 132.00 136.05 2qtt h PRO 79 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2qtt h PRO 79 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2qtt h PRO 79 CO 0.46 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.64 2qtt n GLY 80 N -0.20 -0.91 3.76 1.56 0.00 -1.26 -3.60 105.19 104.54 2qtt n GLY 80 Ca 0.00 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 2qtt n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qtt s ARG 81 N 0.00 4.65 0.15 1.61 1.81 -1.26 -0.96 118.95 124.96 2qtt s ARG 81 Ca 0.00 1.26 -0.31 0.00 -1.72 0.00 0.00 55.73 54.97 2qtt s ARG 81 Cb 0.00 -3.29 -0.08 0.00 -0.45 0.00 0.00 34.95 31.13 2qtt s ARG 81 CO 0.00 0.49 1.35 0.34 -0.68 0.00 0.00 175.30 176.81 2qtt s ASP 82 N -0.93 6.86 0.10 0.23 2.15 0.82 -4.82 116.67 121.08 2qtt s ASP 82 Ca 0.38 2.36 -0.21 0.00 0.43 0.00 0.00 52.55 55.51 2qtt s ASP 82 Cb -0.24 -2.60 -0.10 0.00 -0.30 0.00 0.00 42.92 39.68 2qtt s ASP 82 CO 0.28 -0.59 1.73 0.00 -0.17 0.00 0.00 175.17 176.42 2qtt h ALA 83 N 6.12 0.15 0.24 3.66 0.00 -1.95 0.43 119.26 127.92 2qtt h ALA 83 Ca -0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2qtt h ALA 83 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2qtt h ALA 83 CO 0.82 -0.34 -0.12 0.00 0.00 0.00 0.00 179.25 179.61 2qtt h ALA 84 N 1.01 -0.33 0.00 0.00 0.00 -1.99 -3.38 119.26 114.57 2qtt h ALA 84 Ca 0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2qtt h ALA 84 Cb 0.02 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2qtt h ALA 84 CO -0.01 -0.66 -1.70 1.28 0.00 0.00 0.00 179.25 178.16 2qtt n LEU 85 N -5.21 0.00 0.00 0.00 4.77 -1.21 -5.03 117.00 110.32 2qtt n LEU 85 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2qtt n LEU 85 Cb 0.17 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2qtt n LEU 85 CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2qtt n GLY 86 N 1.95 0.99 3.88 -0.72 0.00 0.15 -4.96 105.19 106.48 2qtt n GLY 86 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2qtt n GLY 86 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qtt s ILE 87 N -3.09 3.55 0.30 -0.61 -4.36 -1.26 -4.42 121.20 111.31 2qtt s ILE 87 Ca 0.00 0.48 -0.29 0.00 -0.26 0.00 0.00 60.65 60.58 2qtt s ILE 87 Cb 0.00 -3.49 -0.13 0.00 1.25 0.00 0.00 42.46 40.09 2qtt s ILE 87 CO 0.00 -0.65 1.37 0.47 0.24 0.00 0.00 174.94 176.37 2qtt n ASP 88 N -2.98 2.90 -4.29 4.36 8.00 -1.26 -0.12 116.55 123.16 2qtt n ASP 88 Ca 0.07 1.18 -0.41 0.00 0.71 0.00 0.00 54.79 56.33 2qtt n ASP 88 Cb 0.57 -1.48 -0.01 0.00 -0.02 0.00 0.00 41.12 40.18 2qtt n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2qtt n SER 89 N 1.41 4.32 -4.75 -2.24 7.64 -0.13 -4.76 113.62 115.11 2qtt n SER 89 Ca 0.07 -2.86 -0.29 0.00 1.01 0.00 0.00 58.87 56.80 2qtt n SER 89 Cb 0.35 -1.69 0.14 0.00 -1.01 0.00 0.00 64.21 61.99 2qtt n SER 89 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2qtt s VAL 90 N 4.69 1.99 0.00 0.44 -7.23 -1.26 -4.68 120.40 114.34 2qtt s VAL 90 Ca 0.54 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.71 2qtt s VAL 90 Cb 0.07 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.26 2qtt s VAL 90 CO 0.04 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 2qtt n GLY 91 N -2.21 0.75 0.24 2.32 0.00 -1.26 -4.66 105.19 100.37 2qtt n GLY 91 Ca 0.07 -2.02 -0.10 0.00 0.00 0.00 0.00 46.02 43.98 2qtt n GLY 91 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qtt h THR 92 N 0.00 1.29 0.47 2.61 1.35 -1.78 -3.12 112.91 113.73 2qtt h THR 92 Ca 0.00 -1.58 -0.02 0.00 -0.55 0.00 0.00 66.41 64.26 2qtt h THR 92 Cb 0.00 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2qtt h THR 92 CO 0.00 0.51 -0.23 0.58 -0.25 0.00 0.00 175.52 176.13 2qtt h VAL 93 N 0.58 0.51 -0.95 6.82 2.07 -1.90 -0.58 116.25 122.80 2qtt h VAL 93 Ca 0.05 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.32 2qtt h VAL 93 Cb 0.95 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 2qtt h VAL 93 CO 0.09 0.04 0.63 -0.65 0.02 0.00 0.00 177.57 177.70 2qtt h PRO 94 N -0.79 1.23 -0.50 1.57 0.11 -1.83 -1.93 132.00 129.86 2qtt h PRO 94 Ca -0.06 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2qtt h PRO 94 Cb 0.56 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 2qtt h PRO 94 CO 0.11 0.81 0.33 0.00 -0.21 0.00 0.00 178.00 179.03 2qtt h ALA 95 N 1.42 0.63 -0.71 -0.75 0.00 -1.51 -1.36 119.26 116.99 2qtt h ALA 95 Ca 0.36 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 2qtt h ALA 95 Cb -0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 2qtt h ALA 95 CO -0.09 0.09 0.20 0.66 0.00 0.00 0.00 179.25 180.11 2qtt h SER 96 N 0.67 1.05 -0.13 0.00 4.64 -0.80 -1.99 113.55 116.99 2qtt h SER 96 Ca 0.18 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2qtt h SER 96 Cb -0.07 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.74 2qtt h SER 96 CO -0.04 0.99 0.03 -0.07 -0.87 0.00 0.00 176.83 176.88 2qtt h LEU 97 N 1.07 0.19 -1.03 5.97 3.38 -0.97 -1.16 115.31 122.75 2qtt h LEU 97 Ca 0.23 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2qtt h LEU 97 Cb 0.33 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2qtt h LEU 97 CO -0.00 0.36 -0.47 0.16 0.09 0.00 0.00 178.44 178.59 2qtt h ILE 98 N 0.01 1.34 -0.14 1.22 3.07 -1.23 -0.93 117.51 120.86 2qtt h ILE 98 Ca 0.04 -1.61 -0.02 0.00 1.55 0.00 0.00 64.86 64.81 2qtt h ILE 98 Cb 0.25 1.85 -0.00 0.00 -0.27 0.00 0.00 36.82 38.64 2qtt h ILE 98 CO -0.00 0.46 -0.01 0.74 -1.05 0.00 0.00 178.15 178.30 2qtt h THR 99 N 0.03 1.26 0.06 0.16 2.02 -1.26 -0.45 112.91 114.74 2qtt h THR 99 Ca -0.00 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 2qtt h THR 99 Cb 0.84 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 2qtt h THR 99 CO 0.06 0.25 -0.03 0.15 0.37 0.00 0.00 175.52 176.32 2qtt h PHE 100 N -0.03 -0.08 -0.62 3.16 3.57 -0.89 -1.83 116.94 120.23 2qtt h PHE 100 Ca 0.04 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 2qtt h PHE 100 Cb 0.39 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 2qtt h PHE 100 CO 0.04 0.05 0.14 0.00 -2.23 0.00 0.00 178.31 176.30 2qtt h ALA 101 N 0.74 0.82 -0.24 2.41 0.00 -1.20 -2.37 119.26 119.41 2qtt h ALA 101 Ca -0.01 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 2qtt h ALA 101 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qtt h ALA 101 CO 0.01 0.54 -0.42 0.66 0.00 0.00 0.00 179.25 180.04 2qtt h SER 102 N 0.91 0.62 -0.23 0.00 4.64 -1.00 -1.52 113.55 116.98 2qtt h SER 102 Ca 0.19 -0.28 0.02 0.00 -0.47 0.00 0.00 61.79 61.25 2qtt h SER 102 Cb 0.38 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 2qtt h SER 102 CO 0.01 0.96 0.08 0.40 -0.87 0.00 0.00 176.83 177.41 2qtt h ILE 103 N 0.47 0.94 -0.43 0.95 2.04 -1.25 0.96 117.51 121.19 2qtt h ILE 103 Ca 0.04 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 2qtt h ILE 103 Cb 0.93 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2qtt h ILE 103 CO 0.08 0.03 -0.13 1.56 0.00 0.00 0.00 178.15 179.69 2qtt h GLN 104 N 0.18 0.79 0.14 2.37 4.20 -1.27 -1.82 115.11 119.71 2qtt h GLN 104 Ca 0.10 -0.28 -0.23 0.00 0.06 0.00 0.00 58.65 58.30 2qtt h GLN 104 Cb 0.07 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 27.80 2qtt h GLN 104 CO -0.10 0.88 -1.09 0.00 -0.67 0.00 0.00 178.83 177.85 2qtt h ALA 105 N 1.14 0.01 0.00 3.87 0.00 -1.29 -3.41 119.26 119.58 2qtt h ALA 105 Ca 0.12 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2qtt h ALA 105 Cb 0.63 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2qtt h ALA 105 CO 0.04 0.57 -1.03 1.28 0.00 0.00 0.00 179.25 180.11 2qtt n LEU 106 N -4.03 0.73 -3.76 0.00 4.77 0.33 -5.03 117.00 110.02 2qtt n LEU 106 Ca -0.19 -0.42 -0.23 0.00 -0.03 0.00 0.00 56.01 55.14 2qtt n LEU 106 Cb 0.87 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.98 2qtt n LEU 106 CO 0.46 0.18 -0.11 0.29 -1.33 0.00 0.00 177.39 176.88 2qtt n LYS 107 N -1.55 -4.07 -2.15 3.23 4.76 -0.68 -4.92 118.16 112.77 2qtt n LYS 107 Ca 0.02 0.55 -0.36 0.00 -2.87 0.00 0.00 58.31 55.66 2qtt n LYS 107 Cb 0.32 -4.92 0.01 0.00 -1.84 0.00 0.00 35.03 28.61 2qtt n LYS 107 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2qtt s PRO 108 N -6.10 3.21 0.34 1.97 0.04 -1.26 -4.89 135.00 128.31 2qtt s PRO 108 Ca 0.05 1.71 0.17 0.00 0.04 0.00 0.00 61.00 62.98 2qtt s PRO 108 Cb -0.02 -1.99 0.48 0.00 0.04 0.00 0.00 34.50 33.01 2qtt s PRO 108 CO 0.84 -0.99 1.63 -0.44 0.04 0.00 0.00 177.00 178.09 2qtt h ASP 109 N 1.11 0.00 -4.99 6.66 3.32 -1.60 -3.47 116.42 117.45 2qtt h ASP 109 Ca -0.50 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.48 2qtt h ASP 109 Cb 1.28 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.64 2qtt h ASP 109 CO 0.56 0.43 0.13 -0.51 -1.72 0.00 0.00 179.24 178.14 2qtt s ILE 110 N -3.38 0.01 -0.04 0.35 2.07 -1.21 -4.28 121.20 114.71 2qtt s ILE 110 Ca 0.01 -0.06 0.07 0.00 -1.41 0.00 0.00 60.65 59.27 2qtt s ILE 110 Cb 0.10 -0.95 -0.02 0.00 0.13 0.00 0.00 42.46 41.72 2qtt s ILE 110 CO 0.71 -0.03 -0.25 -0.63 -1.91 0.00 0.00 174.94 172.82 2qtt s ILE 111 N -1.19 2.09 -0.23 2.00 -1.09 -0.49 -1.47 121.20 120.82 2qtt s ILE 111 Ca -0.11 -1.08 0.02 0.00 -2.23 0.00 0.00 60.65 57.25 2qtt s ILE 111 Cb -0.01 -1.74 0.05 0.00 -1.58 0.00 0.00 42.46 39.19 2qtt s ILE 111 CO 0.09 0.58 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.65 2qtt s ILE 112 N -0.40 1.84 -0.46 2.92 1.01 0.40 -1.31 121.20 125.20 2qtt s ILE 112 Ca 0.04 -1.29 -0.27 0.00 0.00 0.00 0.00 60.65 59.13 2qtt s ILE 112 Cb -0.12 -1.95 0.03 0.00 0.01 0.00 0.00 42.46 40.43 2qtt s ILE 112 CO 0.01 0.06 1.01 0.21 0.00 0.00 0.00 174.94 176.23 2qtt s ASN 113 N 1.28 6.56 -0.06 3.58 3.04 -0.22 -0.70 114.94 128.41 2qtt s ASN 113 Ca -0.05 0.27 0.05 0.00 0.04 0.00 0.00 52.86 53.17 2qtt s ASN 113 Cb -0.18 -2.49 -0.02 0.00 -1.54 0.00 0.00 41.25 37.03 2qtt s ASN 113 CO -0.07 -1.12 -0.21 0.00 -3.04 0.00 0.00 177.10 172.66 2qtt s ALA 114 N 4.01 2.35 0.00 1.71 0.00 -1.06 -1.32 121.76 127.46 2qtt s ALA 114 Ca 0.41 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2qtt s ALA 114 Cb -0.09 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.22 2qtt s ALA 114 CO 0.28 0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.89 2qtt n GLY 115 N 2.82 -0.36 3.89 0.00 0.00 -0.73 -4.44 105.19 106.37 2qtt n GLY 115 Ca -0.17 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 2qtt n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qtt s THR 116 N -2.00 4.88 0.35 2.61 -4.23 -1.26 -1.23 115.64 114.75 2qtt s THR 116 Ca 0.00 0.36 -0.16 0.00 -1.18 0.00 0.00 61.69 60.71 2qtt s THR 116 Cb 0.00 -3.77 0.04 0.00 1.34 0.00 0.00 72.50 70.11 2qtt s THR 116 CO 0.00 -0.57 0.73 0.00 -0.54 0.00 0.00 174.62 174.24 2qtt s GLY 118 N -3.04 1.44 0.09 0.00 0.00 0.11 -1.31 107.32 104.60 2qtt s GLY 118 Ca 0.16 -0.72 -0.02 0.00 0.00 0.00 0.00 44.72 44.14 2qtt s GLY 118 CO 0.11 -0.59 0.02 -0.32 0.00 0.00 0.00 173.10 172.32 2qtt s GLY 119 N -4.09 0.65 -0.30 0.20 0.00 0.33 -1.25 107.32 102.86 2qtt s GLY 119 Ca 0.45 -1.27 -0.08 0.00 0.00 0.00 0.00 44.72 43.81 2qtt s GLY 119 CO 0.41 -1.30 0.11 -1.36 0.00 0.00 0.00 173.10 170.95 2qtt s PHE 120 N -3.97 3.16 0.45 1.90 0.40 -0.31 -0.66 117.98 118.96 2qtt s PHE 120 Ca 0.14 -0.89 0.14 0.00 -0.60 0.00 0.00 56.93 55.71 2qtt s PHE 120 Cb 0.08 -2.29 1.06 0.00 0.51 0.00 0.00 43.02 42.38 2qtt s PHE 120 CO -0.05 -0.56 2.03 1.57 0.70 0.00 0.00 175.22 178.91 2qtt h LYS 121 N 8.27 0.33 0.00 0.44 2.10 -1.91 -0.54 116.57 125.27 2qtt h LYS 121 Ca -0.31 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 2qtt h LYS 121 Cb 1.13 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 2qtt h LYS 121 CO 0.61 0.22 0.00 0.28 -2.00 0.00 0.00 179.45 178.56 2qtt h VAL 122 N 0.34 0.00 -0.23 0.07 2.07 -1.93 -1.28 116.25 115.29 2qtt h VAL 122 Ca 0.19 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2qtt h VAL 122 Cb 0.34 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2qtt h VAL 122 CO -0.04 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.84 2qtt n LYS 123 N -3.06 2.33 -0.04 1.57 4.76 -0.26 -4.95 118.16 118.51 2qtt n LYS 123 Ca -0.01 -1.98 0.00 0.00 -2.87 0.00 0.00 58.31 53.45 2qtt n LYS 123 Cb 0.22 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 2qtt n LYS 123 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qtt n GLY 124 N 1.40 0.77 3.80 0.72 0.00 -0.48 -4.98 105.19 106.42 2qtt n GLY 124 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2qtt n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qtt s ALA 125 N -2.04 3.10 0.12 4.61 0.00 -0.88 -4.98 121.76 121.69 2qtt s ALA 125 Ca 0.00 0.51 0.04 0.00 0.00 0.00 0.00 51.96 52.52 2qtt s ALA 125 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 2qtt s ALA 125 CO 0.00 0.06 -0.11 -0.80 0.00 0.00 0.00 175.76 174.91 2qtt s ASN 126 N -1.84 1.66 0.28 0.00 -0.87 -1.26 -4.02 114.94 108.89 2qtt s ASN 126 Ca 0.57 -0.89 -0.30 0.00 -1.57 0.00 0.00 52.86 50.67 2qtt s ASN 126 Cb -0.15 -0.01 -0.11 0.00 -0.02 0.00 0.00 41.25 40.95 2qtt s ASN 126 CO 0.20 -0.27 1.63 -0.63 -2.57 0.00 0.00 177.10 175.46 2qtt s ILE 127 N -2.74 2.04 0.00 0.60 -1.09 -1.26 -2.18 121.20 116.57 2qtt s ILE 127 Ca 0.10 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 2qtt s ILE 127 Cb -0.01 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 37.85 2qtt s ILE 127 CO 0.01 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 2qtt n GLY 128 N 2.54 3.40 3.72 6.18 0.00 -0.12 -5.01 105.19 115.91 2qtt n GLY 128 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2qtt n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qtt s ASP 129 N -0.88 6.40 -0.32 1.61 1.01 -0.93 -4.74 116.67 118.83 2qtt s ASP 129 Ca 0.00 2.85 -0.09 0.00 0.71 0.00 0.00 52.55 56.03 2qtt s ASP 129 Cb 0.00 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.33 2qtt s ASP 129 CO 0.00 -0.95 0.13 -0.69 0.21 0.00 0.00 175.17 173.88 2qtt s VAL 130 N 0.98 4.32 0.12 -1.27 1.01 -1.26 -0.74 120.40 123.56 2qtt s VAL 130 Ca 0.72 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 2qtt s VAL 130 Cb -0.49 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 2qtt s VAL 130 CO 0.35 0.00 0.49 -0.36 0.00 0.00 0.00 175.10 175.57 2qtt s PHE 131 N 1.55 3.59 -0.39 5.22 0.40 -0.10 -3.98 117.98 124.27 2qtt s PHE 131 Ca 0.03 0.94 -0.17 0.00 -0.60 0.00 0.00 56.93 57.13 2qtt s PHE 131 Cb -0.18 -2.28 0.01 0.00 0.51 0.00 0.00 43.02 41.09 2qtt s PHE 131 CO 0.05 0.47 0.44 -1.17 0.70 0.00 0.00 175.22 175.70 2qtt s LEU 132 N -1.95 4.67 0.14 -0.37 2.96 0.32 -1.69 118.68 122.77 2qtt s LEU 132 Ca 0.36 -0.46 -0.31 0.00 -0.22 0.00 0.00 54.13 53.50 2qtt s LEU 132 Cb -0.14 -2.41 -0.08 0.00 0.50 0.00 0.00 46.19 44.05 2qtt s LEU 132 CO 0.19 -0.51 1.37 -0.69 -1.32 0.00 0.00 176.35 175.39 2qtt s VAL 133 N 2.17 3.25 -0.12 1.68 1.01 -0.98 -3.80 120.40 123.61 2qtt s VAL 133 Ca 0.13 0.93 -0.23 0.00 0.00 0.00 0.00 61.98 62.82 2qtt s VAL 133 Cb -0.17 -3.60 -0.20 0.00 0.00 0.00 0.00 36.38 32.42 2qtt s VAL 133 CO 0.13 0.09 0.66 0.77 0.00 0.00 0.00 175.10 176.75 2qtt h SER 134 N 6.36 -0.02 -5.30 3.32 4.64 -1.72 -3.43 113.55 117.41 2qtt h SER 134 Ca -0.43 -0.72 -0.12 0.00 -0.47 0.00 0.00 61.79 60.05 2qtt h SER 134 Cb 1.21 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.23 2qtt h SER 134 CO 0.84 0.82 -0.10 1.51 -0.87 0.00 0.00 176.83 179.03 2qtt s ASP 135 N -6.00 0.21 0.03 4.97 1.47 -1.26 -1.15 116.67 114.94 2qtt s ASP 135 Ca -0.15 -1.12 0.01 0.00 1.18 0.00 0.00 52.55 52.48 2qtt s ASP 135 Cb -0.02 0.64 -0.02 0.00 -0.34 0.00 0.00 42.92 43.18 2qtt s ASP 135 CO 0.54 -1.25 -0.06 -0.69 0.68 0.00 0.00 175.17 174.40 2qtt s VAL 136 N -3.55 0.35 0.14 2.11 1.01 0.36 -0.98 120.40 119.83 2qtt s VAL 136 Ca 0.24 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 2qtt s VAL 136 Cb -0.01 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 2qtt s VAL 136 CO 0.13 -0.41 0.11 0.68 0.00 0.00 0.00 175.10 175.61 2qtt s VAL 137 N -1.34 0.10 0.01 2.92 -7.23 -0.32 -1.51 120.40 113.03 2qtt s VAL 137 Ca -0.12 -1.77 -0.09 0.00 -1.81 0.00 0.00 61.98 58.20 2qtt s VAL 137 Cb -0.09 -1.98 -0.05 0.00 0.56 0.00 0.00 36.38 34.82 2qtt s VAL 137 CO -0.00 -0.43 0.31 -0.36 -0.31 0.00 0.00 175.10 174.30 2qtt s PHE 138 N -4.02 3.61 -1.83 2.82 0.08 0.65 -0.35 117.98 118.93 2qtt s PHE 138 Ca 0.22 0.69 0.18 0.00 0.12 0.00 0.00 56.93 58.14 2qtt s PHE 138 Cb 0.06 -2.07 0.03 0.00 -0.57 0.00 0.00 43.02 40.47 2qtt s PHE 138 CO 0.01 0.61 0.97 -2.39 -0.10 0.00 0.00 175.22 174.31 2qtt n HIS 139 N 1.27 0.00 -1.42 0.36 1.44 0.30 -4.64 115.22 112.53 2qtt n HIS 139 Ca -0.12 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.67 2qtt n HIS 139 Cb 0.53 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.77 2qtt n HIS 139 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2qtt n ASP 140 N 0.20 1.79 -3.94 4.39 5.75 -1.25 -4.71 116.55 118.77 2qtt n ASP 140 Ca 0.08 -3.09 -0.30 0.00 -0.01 0.00 0.00 54.79 51.48 2qtt n ASP 140 Cb 0.40 -0.42 -0.11 0.00 -1.03 0.00 0.00 41.12 39.97 2qtt n ASP 140 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2qtt s ARG 141 N -2.41 2.64 -0.42 0.11 0.52 -1.26 -5.01 118.95 113.13 2qtt s ARG 141 Ca 0.29 -3.35 -0.17 0.00 -0.52 0.00 0.00 55.73 51.98 2qtt s ARG 141 Cb 0.27 -3.53 0.02 0.00 0.52 0.00 0.00 34.95 32.23 2qtt s ARG 141 CO -0.01 -1.28 0.44 1.03 0.02 0.00 0.00 175.30 175.49 2qtt s ARG 142 N -1.46 3.14 -0.45 3.54 0.52 -1.26 -4.03 118.95 118.95 2qtt s ARG 142 Ca 0.25 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 2qtt s ARG 142 Cb -0.05 -3.95 0.13 0.00 0.52 0.00 0.00 34.95 31.60 2qtt s ARG 142 CO -0.16 -0.83 0.24 0.42 0.02 0.00 0.00 175.30 174.99 2qtt s ILE 143 N 2.15 1.63 -1.14 1.52 1.01 -1.26 -5.03 121.20 120.07 2qtt s ILE 143 Ca 0.12 -2.69 -0.07 0.00 0.00 0.00 0.00 60.65 58.01 2qtt s ILE 143 Cb -0.17 -2.14 -0.07 0.00 0.01 0.00 0.00 42.46 40.08 2qtt s ILE 143 CO 0.14 -0.87 2.49 -0.81 0.00 0.00 0.00 174.94 175.88 2qtt n PRO 144 N 3.48 2.69 -4.13 2.79 -0.04 -1.26 -1.94 135.00 136.59 2qtt n PRO 144 Ca 0.08 -1.71 -0.15 0.00 -0.04 0.00 0.00 63.50 61.68 2qtt n PRO 144 Cb 0.34 -2.55 -0.13 0.00 -0.04 0.00 0.00 33.50 31.11 2qtt n PRO 144 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2qtt s ILE 145 N 2.81 0.48 0.39 0.52 1.01 -1.26 -5.01 121.20 120.16 2qtt s ILE 145 Ca 0.52 -0.56 -0.26 0.00 0.00 0.00 0.00 60.65 60.35 2qtt s ILE 145 Cb 0.14 -0.47 -0.11 0.00 0.01 0.00 0.00 42.46 42.03 2qtt s ILE 145 CO -0.04 -0.07 1.22 -2.65 0.00 0.00 0.00 174.94 173.40 2qtt n PRO 146 N 2.37 1.85 0.00 2.79 -0.02 -1.26 -1.22 135.00 139.51 2qtt n PRO 146 Ca -0.17 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2qtt n PRO 146 Cb 0.57 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2qtt n PRO 146 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2qtt n MET 147 N 0.22 0.00 -0.00 -0.52 2.81 -1.26 -4.56 117.12 113.80 2qtt n MET 147 Ca 0.07 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.75 2qtt n MET 147 Cb 0.38 -3.19 -0.14 0.00 -0.71 0.00 0.00 33.22 29.57 2qtt n MET 147 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2qtt n PHE 148 N -1.71 1.18 -0.16 2.03 3.72 -0.92 -3.36 117.46 118.25 2qtt n PHE 148 Ca 0.00 0.25 -0.04 0.00 -0.05 0.00 0.00 57.45 57.61 2qtt n PHE 148 Cb 0.00 -1.15 0.02 0.00 -0.94 0.00 0.00 39.48 37.41 2qtt n PHE 148 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 2qtt h ASP 149 N 0.05 -0.82 -0.58 4.37 3.04 -0.48 0.16 116.42 122.16 2qtt h ASP 149 Ca -0.43 0.19 -0.03 0.00 -3.24 0.00 0.00 57.03 53.51 2qtt h ASP 149 Cb 2.02 0.44 -0.03 0.00 -1.04 0.00 0.00 39.33 40.72 2qtt h ASP 149 CO 0.07 -0.26 0.26 -0.07 -2.04 0.00 0.00 179.24 177.20 2qtt h LEU 150 N -0.12 0.78 -0.31 0.15 3.38 -1.85 -2.31 115.31 115.04 2qtt h LEU 150 Ca 0.23 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2qtt h LEU 150 Cb 0.49 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2qtt h LEU 150 CO -0.58 0.72 0.02 0.22 0.09 0.00 0.00 178.44 178.91 2qtt h TYR 151 N 0.80 0.03 -0.79 1.13 3.20 -1.41 -1.88 116.97 118.05 2qtt h TYR 151 Ca 0.20 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2qtt h TYR 151 Cb 0.16 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 2qtt h TYR 151 CO 0.00 -0.03 0.51 0.78 -1.64 0.00 0.00 178.16 177.79 2qtt h GLY 152 N 0.12 1.11 1.02 1.82 0.00 -0.51 -2.37 103.07 104.26 2qtt h GLY 152 Ca 0.15 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2qtt h GLY 152 CO -0.23 0.42 0.44 -2.08 0.00 0.00 0.00 176.54 175.09 2qtt h VAL 153 N 1.07 1.24 -3.73 4.60 2.07 -1.16 -3.41 116.25 116.93 2qtt h VAL 153 Ca 0.29 -0.60 -0.26 0.00 0.82 0.00 0.00 66.70 66.95 2qtt h VAL 153 Cb -0.10 0.16 0.07 0.00 -1.52 0.00 0.00 31.29 29.90 2qtt h VAL 153 CO -0.06 0.27 -0.42 0.61 0.02 0.00 0.00 177.57 177.99 2qtt n GLY 154 N -1.10 -0.03 3.67 2.17 0.00 -0.73 -0.25 105.19 108.91 2qtt n GLY 154 Ca 0.08 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2qtt n GLY 154 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qtt s LEU 155 N -4.84 4.40 -0.01 0.99 2.96 -1.26 -4.51 118.68 116.42 2qtt s LEU 155 Ca 0.31 2.56 0.01 0.00 -0.22 0.00 0.00 54.13 56.79 2qtt s LEU 155 Cb -0.14 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.02 2qtt s LEU 155 CO 0.39 -1.00 -0.02 -0.13 -1.32 0.00 0.00 176.35 174.27 2qtt s ARG 156 N 4.00 0.23 0.07 1.98 0.52 -0.57 0.86 118.95 126.04 2qtt s ARG 156 Ca 0.83 -0.06 -0.21 0.00 -0.52 0.00 0.00 55.73 55.76 2qtt s ARG 156 Cb -0.40 -0.26 -0.07 0.00 0.52 0.00 0.00 34.95 34.74 2qtt s ARG 156 CO 0.37 0.02 0.64 -0.65 0.02 0.00 0.00 175.30 175.70 2qtt s GLN 157 N 0.15 4.34 0.68 3.54 -1.52 -1.26 -0.48 119.66 125.11 2qtt s GLN 157 Ca -0.01 0.86 -0.14 0.00 -1.95 0.00 0.00 55.36 54.11 2qtt s GLN 157 Cb -0.04 -3.28 0.01 0.00 -0.22 0.00 0.00 33.01 29.49 2qtt s GLN 157 CO -0.00 0.53 1.12 0.00 -0.25 0.00 0.00 175.29 176.68 2qtt s ALA 158 N -0.81 2.39 0.24 6.09 0.00 -0.30 -4.94 121.76 124.43 2qtt s ALA 158 Ca 0.32 0.55 -0.31 0.00 0.00 0.00 0.00 51.96 52.51 2qtt s ALA 158 Cb -0.20 -3.33 -0.13 0.00 0.00 0.00 0.00 23.12 19.46 2qtt s ALA 158 CO 0.21 -1.42 1.54 0.34 0.00 0.00 0.00 175.76 176.42 2qtt n PHE 159 N -2.62 2.48 -2.10 0.00 7.35 0.10 -4.91 117.46 117.76 2qtt n PHE 159 Ca 0.11 0.29 -0.42 0.00 -0.76 0.00 0.00 57.45 56.66 2qtt n PHE 159 Cb 0.52 -2.55 -0.03 0.00 0.35 0.00 0.00 39.48 37.77 2qtt n PHE 159 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2qtt s SER 160 N 0.59 6.74 -0.46 -2.13 0.15 -1.26 -4.87 113.70 112.47 2qtt s SER 160 Ca 0.70 2.19 0.09 0.00 0.70 0.00 0.00 55.95 59.62 2qtt s SER 160 Cb -0.59 -2.55 0.32 0.00 -1.71 0.00 0.00 66.02 61.50 2qtt s SER 160 CO 0.45 -0.84 0.75 0.35 1.20 0.00 0.00 173.24 175.15 2qtt n THR 161 N 5.09 0.85 -0.17 6.45 -2.24 -1.26 -4.81 114.28 118.18 2qtt n THR 161 Ca 0.15 -4.81 -0.03 0.00 -2.27 0.00 0.00 64.05 57.09 2qtt n THR 161 Cb 0.43 -1.04 0.16 0.00 -2.10 0.00 0.00 70.33 67.78 2qtt n THR 161 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2qtt h PRO 162 N 3.29 0.91 -0.32 -0.78 0.13 -1.92 -2.36 132.00 130.94 2qtt h PRO 162 Ca 0.11 -0.18 -0.14 0.00 -0.87 0.00 0.00 66.00 64.93 2qtt h PRO 162 Cb 0.80 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.78 2qtt h PRO 162 CO 0.61 0.79 -0.33 -0.91 -0.23 0.00 0.00 178.00 177.93 2qtt h ASN 163 N 0.88 0.85 -0.60 1.44 2.35 -1.95 -0.84 115.58 117.72 2qtt h ASN 163 Ca 0.20 -0.47 0.10 0.00 -0.55 0.00 0.00 56.30 55.57 2qtt h ASN 163 Cb 0.27 -0.24 -0.07 0.00 0.05 0.00 0.00 38.32 38.33 2qtt h ASN 163 CO -0.01 1.15 0.19 0.25 -1.65 0.00 0.00 177.43 177.37 2qtt h LEU 164 N 0.56 0.16 -0.62 1.61 6.46 -1.83 -1.26 115.31 120.40 2qtt h LEU 164 Ca 0.05 0.09 -0.10 0.00 -0.12 0.00 0.00 57.88 57.79 2qtt h LEU 164 Cb 0.92 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 2qtt h LEU 164 CO 0.08 0.10 -0.04 0.25 -0.62 0.00 0.00 178.44 178.21 2qtt h LEU 165 N 0.36 1.04 -1.35 2.25 6.46 -1.16 0.28 115.31 123.19 2qtt h LEU 165 Ca 0.30 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2qtt h LEU 165 Cb 0.40 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 2qtt h LEU 165 CO -0.33 1.11 0.33 0.11 -0.62 0.00 0.00 178.44 179.04 2qtt h LYS 166 N 0.95 0.77 0.02 1.25 1.57 -0.78 -0.52 116.57 119.82 2qtt h LYS 166 Ca 0.16 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2qtt h LYS 166 Cb 0.60 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2qtt h LYS 166 CO 0.04 0.55 -0.14 1.49 -0.57 0.00 0.00 179.45 180.82 2qtt h GLU 167 N 0.79 0.07 0.00 3.15 4.57 -0.95 -3.40 114.58 118.81 2qtt h GLU 167 Ca 0.21 -0.09 -0.16 0.00 -1.18 0.00 0.00 59.36 58.13 2qtt h GLU 167 Cb -0.01 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 2qtt h GLU 167 CO -0.04 0.97 -1.62 1.28 -1.18 0.00 0.00 179.01 178.42 2qtt n LEU 168 N -4.56 0.60 -3.67 1.64 4.32 0.06 -5.00 117.00 110.40 2qtt n LEU 168 Ca -0.10 0.26 -0.22 0.00 -0.02 0.00 0.00 56.01 55.93 2qtt n LEU 168 Cb 0.50 0.12 0.05 0.00 -1.62 0.00 0.00 43.42 42.47 2qtt n LEU 168 CO 0.37 0.15 0.03 -3.20 -1.22 0.00 0.00 177.39 173.52 2qtt n ASN 169 N -2.76 -2.47 -4.80 -1.43 5.15 -0.21 -4.97 115.26 103.78 2qtt n ASN 169 Ca -0.12 -0.74 -0.35 0.00 -0.60 0.00 0.00 54.58 52.77 2qtt n ASN 169 Cb 0.83 -4.36 -0.07 0.00 -0.53 0.00 0.00 39.78 35.65 2qtt n ASN 169 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2qtt s LEU 170 N -6.77 4.16 0.78 1.20 1.43 -1.26 -5.03 118.68 113.18 2qtt s LEU 170 Ca 0.17 1.77 -0.14 0.00 -1.03 0.00 0.00 54.13 54.90 2qtt s LEU 170 Cb -0.08 -4.24 0.06 0.00 0.03 0.00 0.00 46.19 41.96 2qtt s LEU 170 CO 0.79 -0.19 1.21 0.29 0.23 0.00 0.00 176.35 178.68 2qtt n LYS 171 N 0.03 0.37 -4.32 1.70 5.02 -1.26 -4.66 118.16 115.05 2qtt n LYS 171 Ca 0.04 0.20 -0.22 0.00 -2.02 0.00 0.00 58.31 56.31 2qtt n LYS 171 Cb 0.52 -2.45 -0.12 0.00 -0.02 0.00 0.00 35.03 32.96 2qtt n LYS 171 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qtt s ILE 172 N -1.97 1.78 0.00 -0.18 1.01 -1.26 -0.52 121.20 120.06 2qtt s ILE 172 Ca 0.75 -1.82 0.00 0.00 0.00 0.00 0.00 60.65 59.58 2qtt s ILE 172 Cb -0.31 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.39 2qtt s ILE 172 CO 0.49 -0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.78 2qtt n GLY 173 N 0.50 0.75 3.77 6.18 0.00 -1.25 -4.97 105.19 110.18 2qtt n GLY 173 Ca -0.15 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 2qtt n GLY 173 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qtt s ARG 174 N -2.00 4.62 -0.12 1.61 3.52 -1.26 -1.77 118.95 123.56 2qtt s ARG 174 Ca 0.00 1.28 -0.04 0.00 -0.13 0.00 0.00 55.73 56.85 2qtt s ARG 174 Cb 0.00 -3.06 -0.03 0.00 -1.56 0.00 0.00 34.95 30.30 2qtt s ARG 174 CO 0.00 0.43 0.02 -1.17 -0.81 0.00 0.00 175.30 173.77 2qtt s LEU 175 N -1.58 3.66 -0.10 -0.88 2.96 -0.15 -1.20 118.68 121.39 2qtt s LEU 175 Ca 0.43 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.51 2qtt s LEU 175 Cb -0.22 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.61 2qtt s LEU 175 CO 0.26 0.32 -0.22 -0.55 -1.32 0.00 0.00 176.35 174.85 2qtt s SER 176 N -0.51 2.87 -0.05 3.68 0.15 -0.07 -1.17 113.70 118.60 2qtt s SER 176 Ca 0.09 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.23 2qtt s SER 176 Cb -0.12 -1.31 -0.03 0.00 -1.71 0.00 0.00 66.02 62.84 2qtt s SER 176 CO 0.02 0.12 -0.04 -0.89 1.20 0.00 0.00 173.24 173.65 2qtt s THR 177 N 0.49 3.91 0.20 6.45 2.01 0.52 -1.52 115.64 127.69 2qtt s THR 177 Ca -0.16 -0.47 -0.23 0.00 0.31 0.00 0.00 61.69 61.14 2qtt s THR 177 Cb -0.17 -2.64 0.05 0.00 0.01 0.00 0.00 72.50 69.75 2qtt s THR 177 CO 0.06 0.55 0.70 -0.83 -0.69 0.00 0.00 174.62 174.40 2qtt s GLY 178 N -1.00 -0.37 0.00 4.40 0.00 -0.92 -0.54 107.32 108.90 2qtt s GLY 178 Ca 0.14 0.18 0.17 0.00 0.00 0.00 0.00 44.72 45.20 2qtt s GLY 178 CO 0.03 0.06 1.52 1.22 0.00 0.00 0.00 173.10 175.93 2qtt n ASP 179 N -0.41 0.88 -4.68 1.64 8.00 -1.26 -4.08 116.55 116.63 2qtt n ASP 179 Ca -0.10 -1.66 -0.35 0.00 0.71 0.00 0.00 54.79 53.38 2qtt n ASP 179 Cb 0.62 -0.07 -0.09 0.00 -0.02 0.00 0.00 41.12 41.56 2qtt n ASP 179 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2qtt s SER 180 N -1.45 5.32 0.14 -2.24 0.01 -1.26 -4.97 113.70 109.25 2qtt s SER 180 Ca 0.26 0.15 0.08 0.00 1.31 0.00 0.00 55.95 57.74 2qtt s SER 180 Cb 0.13 -1.57 -0.13 0.00 0.21 0.00 0.00 66.02 64.66 2qtt s SER 180 CO 0.20 0.35 1.33 0.25 0.41 0.00 0.00 173.24 175.78 2qtt h LEU 181 N 5.36 0.00 0.00 2.44 5.85 -1.96 -3.46 115.31 123.55 2qtt h LEU 181 Ca -0.49 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.14 2qtt h LEU 181 Cb 1.19 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.25 2qtt h LEU 181 CO 0.56 0.94 0.06 -0.90 -0.34 0.00 0.00 178.44 178.76 2qtt n ASP 182 N -3.40 0.14 -3.67 1.25 5.75 -1.26 -5.10 116.55 110.25 2qtt n ASP 182 Ca -0.00 -1.16 -0.25 0.00 -0.01 0.00 0.00 54.79 53.37 2qtt n ASP 182 Cb 0.89 -0.18 -0.17 0.00 -1.03 0.00 0.00 41.12 40.63 2qtt n ASP 182 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 2qtt s MET 183 N -3.32 0.25 0.82 0.11 1.75 -1.26 -5.10 119.30 112.54 2qtt s MET 183 Ca 0.15 -0.07 -0.12 0.00 -1.25 0.00 0.00 55.69 54.40 2qtt s MET 183 Cb -0.01 -1.58 0.08 0.00 2.84 0.00 0.00 34.83 36.16 2qtt s MET 183 CO 0.10 -0.56 1.14 -1.54 -0.65 0.00 0.00 175.02 173.51 2qtt s SER 184 N 2.06 4.39 0.25 1.11 1.04 -1.26 -4.88 113.70 116.40 2qtt s SER 184 Ca 0.02 0.99 -0.04 0.00 0.48 0.00 0.00 55.95 57.40 2qtt s SER 184 Cb -0.15 -1.60 0.29 0.00 0.10 0.00 0.00 66.02 64.65 2qtt s SER 184 CO -0.07 -2.00 1.79 0.74 0.98 0.00 0.00 173.24 174.68 2qtt h THR 185 N -1.12 1.24 -0.54 2.02 2.02 -2.01 -0.81 112.91 113.73 2qtt h THR 185 Ca -0.47 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 65.86 2qtt h THR 185 Cb 1.31 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 2qtt h THR 185 CO 0.63 0.33 0.35 -0.61 0.37 0.00 0.00 175.52 176.59 2qtt h GLN 186 N 0.94 0.69 -0.12 6.66 5.75 -1.99 0.87 115.11 127.91 2qtt h GLN 186 Ca 0.21 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.69 2qtt h GLN 186 Cb 0.29 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 2qtt h GLN 186 CO -0.01 0.46 -0.03 -0.44 -2.65 0.00 0.00 178.83 176.16 2qtt h ASP 187 N 0.71 -0.12 -0.89 -0.69 3.32 -1.76 -2.83 116.42 114.17 2qtt h ASP 187 Ca 0.20 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.30 2qtt h ASP 187 Cb -0.06 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 2qtt h ASP 187 CO -0.05 -0.04 0.58 -0.08 -1.72 0.00 0.00 179.24 177.93 2qtt h GLU 188 N -0.00 1.17 -0.35 3.56 4.81 -0.65 -1.18 114.58 121.94 2qtt h GLU 188 Ca 0.06 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2qtt h GLU 188 Cb 0.09 -0.26 -0.05 0.00 0.63 0.00 0.00 28.75 29.16 2qtt h GLU 188 CO -0.13 0.78 0.06 1.15 -0.73 0.00 0.00 179.01 180.15 2qtt h THR 189 N 1.21 0.81 -0.32 0.32 2.02 -0.67 0.27 112.91 116.55 2qtt h THR 189 Ca 0.32 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.39 2qtt h THR 189 Cb -0.13 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 2qtt h THR 189 CO -0.07 0.03 -0.02 -0.07 0.37 0.00 0.00 175.52 175.76 2qtt h LEU 190 N 0.18 0.58 -0.54 2.58 4.07 -1.21 -0.92 115.31 120.04 2qtt h LEU 190 Ca 0.17 -0.33 0.04 0.00 0.08 0.00 0.00 57.88 57.84 2qtt h LEU 190 Cb 0.20 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 41.74 2qtt h LEU 190 CO -0.23 0.76 0.30 0.40 -1.08 0.00 0.00 178.44 178.60 2qtt h ILE 191 N 0.37 1.01 -0.33 1.22 2.04 -0.85 0.18 117.51 121.16 2qtt h ILE 191 Ca 0.09 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 2qtt h ILE 191 Cb 0.48 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2qtt h ILE 191 CO 0.02 0.11 0.09 0.40 0.00 0.00 0.00 178.15 178.77 2qtt h ILE 192 N 0.59 1.21 -0.95 -0.67 2.04 -0.45 -1.66 117.51 117.63 2qtt h ILE 192 Ca 0.23 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.45 2qtt h ILE 192 Cb 0.08 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 2qtt h ILE 192 CO -0.13 0.24 0.60 0.00 0.00 0.00 0.00 178.15 178.86 2qtt h ALA 193 N 0.93 1.31 -0.01 1.87 0.00 -0.73 -1.75 119.26 120.88 2qtt h ALA 193 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qtt h ALA 193 Cb 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qtt h ALA 193 CO -0.00 0.38 0.00 0.09 0.00 0.00 0.00 179.25 179.72 2qtt n ASN 194 N -4.55 1.11 -3.71 0.00 3.02 0.60 -4.96 115.26 106.77 2qtt n ASN 194 Ca 0.14 -1.37 -0.24 0.00 -0.03 0.00 0.00 54.58 53.09 2qtt n ASN 194 Cb 0.18 -0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.39 2qtt n ASN 194 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2qtt n ASP 195 N -0.13 -2.85 -4.80 6.41 2.03 -0.66 -4.97 116.55 111.58 2qtt n ASP 195 Ca 0.20 -0.75 -0.35 0.00 0.52 0.00 0.00 54.79 54.41 2qtt n ASP 195 Cb 0.29 -4.25 -0.07 0.00 -0.72 0.00 0.00 41.12 36.37 2qtt n ASP 195 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qtt s ALA 196 N -3.49 3.18 -0.13 -1.67 0.00 -0.98 -4.63 121.76 114.04 2qtt s ALA 196 Ca 0.25 0.41 0.17 0.00 0.00 0.00 0.00 51.96 52.80 2qtt s ALA 196 Cb -0.12 -3.11 -0.22 0.00 0.00 0.00 0.00 23.12 19.67 2qtt s ALA 196 CO 0.80 0.19 0.46 2.41 0.00 0.00 0.00 175.76 179.62 2qtt n THR 197 N 0.11 1.16 -4.39 0.00 -1.04 -0.34 -4.88 114.28 104.90 2qtt n THR 197 Ca 0.03 -0.74 -0.24 0.00 -2.04 0.00 0.00 64.05 61.06 2qtt n THR 197 Cb 0.52 -0.58 -0.13 0.00 -1.82 0.00 0.00 70.33 68.32 2qtt n THR 197 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2qtt s LEU 198 N -5.54 2.24 -0.08 -4.42 1.43 -0.90 -1.17 118.68 110.25 2qtt s LEU 198 Ca -0.07 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 2qtt s LEU 198 Cb 0.08 -0.85 0.02 0.00 0.03 0.00 0.00 46.19 45.47 2qtt s LEU 198 CO 0.83 0.08 -0.10 -0.75 0.23 0.00 0.00 176.35 176.64 2qtt s LYS 199 N -1.59 1.61 0.00 1.70 2.20 -0.38 -0.89 119.74 122.39 2qtt s LYS 199 Ca 0.05 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 2qtt s LYS 199 Cb -0.09 -1.43 0.00 0.00 -1.51 0.00 0.00 37.83 34.79 2qtt s LYS 199 CO 0.03 -0.07 0.00 -0.40 -0.36 0.00 0.00 175.35 174.55 2qtt n ASP 200 N 4.17 0.00 0.00 1.43 5.75 -0.58 -0.71 116.55 126.61 2qtt n ASP 200 Ca -0.20 -0.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.88 2qtt n ASP 200 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 2qtt n ASP 200 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2qtt n MET 201 N 0.00 0.45 0.00 0.11 2.81 -1.26 -2.15 117.12 117.08 2qtt n MET 201 Ca 0.00 -0.84 0.00 0.00 -1.81 0.00 0.00 57.70 55.05 2qtt n MET 201 Cb 0.00 -0.98 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 2qtt n MET 201 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2qtt n GLU 202 N -0.18 0.47 -0.19 0.03 4.71 -1.26 -2.27 120.64 121.95 2qtt n GLU 202 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.14 2qtt n GLU 202 Cb 0.10 -0.56 0.05 0.00 -1.01 0.00 0.00 31.44 30.02 2qtt n GLU 202 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2qtt h GLY 203 N 0.00 0.43 1.93 0.62 0.00 -1.96 -1.48 103.07 102.61 2qtt h GLY 203 Ca 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 2qtt h GLY 203 CO 0.00 -0.22 -0.18 0.00 0.00 0.00 0.00 176.54 176.15 2qtt h ALA 204 N 1.57 1.60 -0.03 3.60 0.00 -1.93 -0.46 119.26 123.61 2qtt h ALA 204 Ca 0.28 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 2qtt h ALA 204 Cb 0.43 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2qtt h ALA 204 CO -0.58 0.30 -0.95 0.00 0.00 0.00 0.00 179.25 178.01 2qtt h ALA 205 N 1.74 0.26 -0.46 0.00 0.00 -1.65 -0.57 119.26 118.58 2qtt h ALA 205 Ca 0.02 -0.68 0.01 0.00 0.00 0.00 0.00 54.91 54.26 2qtt h ALA 205 Cb 0.37 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2qtt h ALA 205 CO 0.03 0.73 0.28 0.28 0.00 0.00 0.00 179.25 180.56 2qtt h VAL 206 N 0.37 1.07 -0.92 0.00 2.07 -0.82 -2.53 116.25 115.50 2qtt h VAL 206 Ca -0.10 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2qtt h VAL 206 Cb 1.59 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 2qtt h VAL 206 CO 0.18 0.10 0.54 0.00 0.02 0.00 0.00 177.57 178.42 2qtt h ALA 207 N 1.19 1.17 -0.04 1.67 0.00 -1.03 -0.73 119.26 121.48 2qtt h ALA 207 Ca 0.18 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2qtt h ALA 207 Cb -0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 2qtt h ALA 207 CO -0.07 0.64 -0.08 -0.92 0.00 0.00 0.00 179.25 178.82 2qtt h TYR 208 N 1.26 -0.20 -0.48 0.00 3.20 -0.86 0.35 116.97 120.25 2qtt h TYR 208 Ca 0.33 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.17 2qtt h TYR 208 Cb -0.04 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 2qtt h TYR 208 CO 0.00 -0.12 0.17 0.28 -1.64 0.00 0.00 178.16 176.85 2qtt h VAL 209 N -0.12 1.22 -0.90 1.81 2.07 -1.24 -1.42 116.25 117.66 2qtt h VAL 209 Ca 0.05 -0.70 0.09 0.00 0.82 0.00 0.00 66.70 66.95 2qtt h VAL 209 Cb 0.18 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 2qtt h VAL 209 CO -0.11 0.26 0.55 0.00 0.02 0.00 0.00 177.57 178.29 2qtt h ALA 210 N 1.02 1.29 -0.22 1.67 0.00 -0.92 -2.21 119.26 119.90 2qtt h ALA 210 Ca 0.16 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2qtt h ALA 210 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2qtt h ALA 210 CO -0.01 0.23 0.04 0.22 0.00 0.00 0.00 179.25 179.73 2qtt h ASP 211 N 0.95 0.34 -1.01 0.00 3.58 -0.59 0.66 116.42 120.35 2qtt h ASP 211 Ca 0.42 -0.26 0.05 0.00 0.42 0.00 0.00 57.03 57.67 2qtt h ASP 211 Cb 0.31 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.21 2qtt h ASP 211 CO -0.22 0.51 0.66 -0.07 -2.88 0.00 0.00 179.24 177.23 2qtt h LEU 212 N 0.16 1.07 -2.38 2.28 3.38 -0.84 -2.46 115.31 116.51 2qtt h LEU 212 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2qtt h LEU 212 Cb 0.31 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2qtt h LEU 212 CO 0.00 0.71 0.00 0.18 0.09 0.00 0.00 178.44 179.43 2qtt n LEU 213 N -4.47 3.50 -3.73 1.67 4.77 -0.87 -4.96 117.00 112.90 2qtt n LEU 213 Ca 0.14 -1.65 -0.24 0.00 -0.03 0.00 0.00 56.01 54.23 2qtt n LEU 213 Cb 0.14 -0.36 0.04 0.00 -2.33 0.00 0.00 43.42 40.90 2qtt n LEU 213 CO 0.33 0.83 0.03 0.29 -1.33 0.00 0.00 177.39 177.54 2qtt n LYS 214 N 1.45 -5.56 -4.21 3.23 4.76 -0.55 -5.00 118.16 112.27 2qtt n LYS 214 Ca 0.21 0.66 -0.34 0.00 -2.87 0.00 0.00 58.31 55.97 2qtt n LYS 214 Cb 0.58 -5.41 -0.11 0.00 -1.84 0.00 0.00 35.03 28.25 2qtt n LYS 214 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2qtt s ILE 215 N -3.50 4.35 0.23 -0.18 -1.09 0.12 -5.03 121.20 116.11 2qtt s ILE 215 Ca 0.26 -0.19 -0.31 0.00 -2.23 0.00 0.00 60.65 58.17 2qtt s ILE 215 Cb -0.13 -2.93 -0.14 0.00 -1.58 0.00 0.00 42.46 37.69 2qtt s ILE 215 CO 0.80 0.49 1.36 -2.65 -1.23 0.00 0.00 174.94 173.71 2qtt n PRO 216 N 3.44 1.90 -4.57 2.79 -0.02 -1.26 -4.50 135.00 132.79 2qtt n PRO 216 Ca -0.17 0.68 -0.21 0.00 -2.02 0.00 0.00 63.50 61.77 2qtt n PRO 216 Cb 0.52 -2.30 -0.15 0.00 -0.02 0.00 0.00 33.50 31.55 2qtt n PRO 216 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qtt s VAL 217 N -0.13 1.00 0.10 -1.45 0.11 -1.26 -1.39 120.40 117.38 2qtt s VAL 217 Ca 0.68 -0.53 0.03 0.00 -2.93 0.00 0.00 61.98 59.23 2qtt s VAL 217 Cb -0.68 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.30 2qtt s VAL 217 CO 0.51 0.28 -0.09 0.68 -3.33 0.00 0.00 175.10 173.15 2qtt s VAL 218 N -0.25 0.85 -0.06 2.04 -7.23 -0.42 0.00 120.40 115.33 2qtt s VAL 218 Ca 0.04 -1.76 0.02 0.00 -1.81 0.00 0.00 61.98 58.47 2qtt s VAL 218 Cb -0.05 -1.48 0.02 0.00 0.56 0.00 0.00 36.38 35.42 2qtt s VAL 218 CO -0.00 -0.68 -0.10 -0.36 -0.31 0.00 0.00 175.10 173.64 2qtt s PHE 219 N -2.90 1.24 -0.28 2.82 0.40 -1.26 -1.06 117.98 116.94 2qtt s PHE 219 Ca 0.08 -0.44 -0.03 0.00 -0.60 0.00 0.00 56.93 55.94 2qtt s PHE 219 Cb 0.00 -0.95 0.03 0.00 0.51 0.00 0.00 43.02 42.62 2qtt s PHE 219 CO -0.02 -0.25 -0.01 -0.51 0.70 0.00 0.00 175.22 175.13 2qtt s LEU 220 N 0.76 3.63 -0.18 -0.37 1.43 -0.43 -2.32 118.68 121.19 2qtt s LEU 220 Ca -0.13 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 51.96 2qtt s LEU 220 Cb -0.15 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.38 2qtt s LEU 220 CO 0.02 -0.20 -0.09 -0.54 0.23 0.00 0.00 176.35 175.77 2qtt s LYS 221 N 1.33 1.91 -0.28 1.70 -0.14 -0.68 -1.77 119.74 121.81 2qtt s LYS 221 Ca -0.02 -0.72 -0.09 0.00 -1.36 0.00 0.00 55.97 53.78 2qtt s LYS 221 Cb -0.18 -2.27 -0.03 0.00 -1.68 0.00 0.00 37.83 33.67 2qtt s LYS 221 CO -0.02 -0.40 0.13 0.00 -0.76 0.00 0.00 175.35 174.30 2qtt s ALA 222 N 1.47 3.31 -0.45 5.17 0.00 -0.36 -0.92 121.76 129.98 2qtt s ALA 222 Ca 0.00 -1.18 -0.28 0.00 0.00 0.00 0.00 51.96 50.49 2qtt s ALA 222 Cb -0.16 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.68 2qtt s ALA 222 CO -0.08 -0.61 1.44 0.08 0.00 0.00 0.00 175.76 176.59 2qtt s VAL 223 N 1.66 3.84 -0.55 0.00 1.01 0.09 -1.14 120.40 125.31 2qtt s VAL 223 Ca 0.06 0.82 0.22 0.00 0.00 0.00 0.00 61.98 63.09 2qtt s VAL 223 Cb -0.16 -4.22 -0.20 0.00 0.00 0.00 0.00 36.38 31.80 2qtt s VAL 223 CO 0.07 -0.83 0.85 0.35 0.00 0.00 0.00 175.10 175.53 2qtt n THR 224 N 7.06 0.09 -3.75 3.92 -2.24 -0.42 -0.94 114.28 118.00 2qtt n THR 224 Ca 0.16 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 2qtt n THR 224 Cb 0.48 0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.96 2qtt n THR 224 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2qtt s ASP 225 N -3.87 -0.29 -0.41 3.42 -4.77 -1.24 -4.89 116.67 104.61 2qtt s ASP 225 Ca 0.02 0.43 -0.16 0.00 -3.30 0.00 0.00 52.55 49.54 2qtt s ASP 225 Cb 0.15 0.53 0.02 0.00 -1.09 0.00 0.00 42.92 42.53 2qtt s ASP 225 CO 0.85 -0.28 0.34 -0.76 0.70 0.00 0.00 175.17 176.01 2qtt s LEU 226 N -0.53 5.03 0.39 2.11 1.43 -1.26 -0.51 118.68 125.33 2qtt s LEU 226 Ca -0.06 -0.83 0.08 0.00 -1.03 0.00 0.00 54.13 52.29 2qtt s LEU 226 Cb -0.04 -2.22 0.80 0.00 0.03 0.00 0.00 46.19 44.76 2qtt s LEU 226 CO 0.02 -0.48 1.96 0.58 0.23 0.00 0.00 176.35 178.66 2qtt h VAL 227 N 5.66 1.15 -0.47 -1.59 2.07 -1.26 -2.02 116.25 119.79 2qtt h VAL 227 Ca -0.27 -0.57 -0.13 0.00 0.82 0.00 0.00 66.70 66.55 2qtt h VAL 227 Cb 1.12 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 2qtt h VAL 227 CO 0.75 0.19 0.09 -0.90 0.02 0.00 0.00 177.57 177.72 2qtt n ASP 228 N -4.35 3.94 -4.76 0.57 5.75 -1.26 -5.01 116.55 111.43 2qtt n ASP 228 Ca 0.00 -3.27 -0.30 0.00 -0.01 0.00 0.00 54.79 51.21 2qtt n ASP 228 Cb 0.20 -0.64 -0.07 0.00 -1.03 0.00 0.00 41.12 39.57 2qtt n ASP 228 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2qtt s GLY 229 N -1.73 2.74 0.46 6.12 0.00 -0.76 -4.89 107.32 109.27 2qtt s GLY 229 Ca 0.48 -1.06 -0.25 0.00 0.00 0.00 0.00 44.72 43.89 2qtt s GLY 229 CO 0.09 -2.10 1.41 -0.35 0.00 0.00 0.00 173.10 172.14 2qtt s ASP 230 N -3.93 5.81 0.32 1.64 2.15 -1.26 -4.94 116.67 116.46 2qtt s ASP 230 Ca 0.20 2.87 -0.29 0.00 0.43 0.00 0.00 52.55 55.76 2qtt s ASP 230 Cb 0.03 -2.65 -0.12 0.00 -0.30 0.00 0.00 42.92 39.87 2qtt s ASP 230 CO 0.11 -1.21 1.41 0.29 -0.17 0.00 0.00 175.17 175.60 2qtt n LYS 231 N -0.30 2.33 -1.97 4.34 4.76 -1.26 -4.93 118.16 121.13 2qtt n LYS 231 Ca 0.06 0.82 -0.33 0.00 -2.87 0.00 0.00 58.31 55.99 2qtt n LYS 231 Cb 0.42 -2.49 0.02 0.00 -1.84 0.00 0.00 35.03 31.15 2qtt n LYS 231 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2qtt s PRO 232 N -1.38 3.23 1.04 1.97 0.04 -1.26 -5.07 135.00 133.56 2qtt s PRO 232 Ca 0.59 1.19 -0.17 0.00 0.04 0.00 0.00 61.00 62.65 2qtt s PRO 232 Cb -0.55 -2.02 0.23 0.00 0.04 0.00 0.00 34.50 32.19 2qtt s PRO 232 CO 0.58 -0.88 1.26 0.95 0.04 0.00 0.00 177.00 178.94 2qtt s THR 233 N -2.51 1.87 0.03 1.26 -4.23 -1.26 -4.82 115.64 105.99 2qtt s THR 233 Ca 0.63 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.91 2qtt s THR 233 Cb -0.16 -2.84 -0.15 0.00 1.34 0.00 0.00 72.50 70.68 2qtt s THR 233 CO 0.39 0.00 1.44 0.00 -0.54 0.00 0.00 174.62 175.91 2qtt h ALA 234 N -1.93 0.11 -0.13 3.99 0.00 -1.99 0.14 119.26 119.46 2qtt h ALA 234 Ca -0.45 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 2qtt h ALA 234 Cb 1.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2qtt h ALA 234 CO 0.37 -0.19 -0.26 1.49 0.00 0.00 0.00 179.25 180.65 2qtt h GLU 235 N -0.16 0.23 -0.08 0.00 4.81 -2.00 -2.52 114.58 114.86 2qtt h GLU 235 Ca 0.02 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2qtt h GLU 235 Cb 0.38 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 2qtt h GLU 235 CO 0.01 0.48 0.01 0.93 -0.73 0.00 0.00 179.01 179.71 2qtt h GLU 236 N 0.20 0.13 -0.67 1.92 5.08 -1.91 -2.06 114.58 117.27 2qtt h GLU 236 Ca 0.03 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2qtt h GLU 236 Cb 0.58 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 2qtt h GLU 236 CO 0.04 0.35 0.34 0.35 -1.00 0.00 0.00 179.01 179.09 2qtt h PHE 237 N -0.11 0.62 -0.02 4.33 3.57 -0.44 -0.49 116.94 124.38 2qtt h PHE 237 Ca 0.02 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.34 2qtt h PHE 237 Cb 0.28 -0.18 0.02 0.00 2.79 0.00 0.00 35.95 38.86 2qtt h PHE 237 CO 0.02 0.25 -0.80 1.25 -2.23 0.00 0.00 178.31 176.80 2qtt h LEU 238 N 0.61 0.74 -0.07 0.59 5.85 -1.50 -2.72 115.31 118.80 2qtt h LEU 238 Ca 0.32 -0.73 0.02 0.00 0.84 0.00 0.00 57.88 58.33 2qtt h LEU 238 Cb 0.28 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2qtt h LEU 238 CO -0.23 1.37 -0.04 -0.61 -0.34 0.00 0.00 178.44 178.59 2qtt h GLN 239 N 0.19 -0.04 -0.84 1.25 5.75 -1.18 -1.71 115.11 118.53 2qtt h GLN 239 Ca -0.09 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.49 2qtt h GLN 239 Cb 1.47 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.98 2qtt h GLN 239 CO 0.16 -0.03 0.55 -0.91 -2.65 0.00 0.00 178.83 175.94 2qtt h ASN 240 N -0.05 0.76 -0.15 -0.69 2.35 -1.12 0.20 115.58 116.89 2qtt h ASN 240 Ca 0.04 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2qtt h ASN 240 Cb 0.11 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 2qtt h ASN 240 CO -0.10 0.47 0.01 0.25 -1.65 0.00 0.00 177.43 176.41 2qtt h LEU 241 N 0.85 0.25 0.70 1.61 5.85 -1.10 0.51 115.31 123.98 2qtt h LEU 241 Ca 0.38 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2qtt h LEU 241 Cb 0.35 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.32 2qtt h LEU 241 CO -0.15 0.47 -0.34 0.74 -0.34 0.00 0.00 178.44 178.83 2qtt h THR 242 N 0.02 0.26 -0.41 1.05 2.02 -0.85 -2.86 112.91 112.14 2qtt h THR 242 Ca 0.04 -0.14 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 2qtt h THR 242 Cb 0.34 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2qtt h THR 242 CO 0.01 0.01 -0.15 -0.37 0.37 0.00 0.00 175.52 175.39 2qtt h VAL 243 N -1.04 1.26 0.05 3.16 -1.51 -0.64 -1.24 116.25 116.28 2qtt h VAL 243 Ca -0.10 -1.21 -0.24 0.00 -1.23 0.00 0.00 66.70 63.92 2qtt h VAL 243 Cb 0.74 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2qtt h VAL 243 CO 0.16 0.41 -1.03 0.58 -1.23 0.00 0.00 177.57 176.45 2qtt h VAL 244 N 0.68 1.46 -0.62 7.19 2.07 -1.01 -0.48 116.25 125.53 2qtt h VAL 244 Ca 0.11 -2.71 -0.08 0.00 0.82 0.00 0.00 66.70 64.84 2qtt h VAL 244 Cb 0.63 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 2qtt h VAL 244 CO 0.04 0.80 0.07 0.71 0.02 0.00 0.00 177.57 179.21 2qtt h THR 245 N 0.15 1.26 -0.85 2.57 1.35 -1.34 0.24 112.91 116.29 2qtt h THR 245 Ca -0.09 -1.07 -0.01 0.00 -0.55 0.00 0.00 66.41 64.69 2qtt h THR 245 Cb 1.70 0.73 -0.04 0.00 -1.73 0.00 0.00 68.15 68.81 2qtt h THR 245 CO 0.17 0.39 0.50 0.00 -0.25 0.00 0.00 175.52 176.33 2qtt h ALA 246 N 1.01 1.09 -0.55 6.62 0.00 -1.12 -1.69 119.26 124.63 2qtt h ALA 246 Ca 0.18 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2qtt h ALA 246 Cb 0.48 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2qtt h ALA 246 CO 0.02 0.56 0.35 0.00 0.00 0.00 0.00 179.25 180.18 2qtt h ALA 247 N 1.27 0.70 -0.61 0.00 0.00 -0.63 -0.92 119.26 119.07 2qtt h ALA 247 Ca 0.30 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.21 2qtt h ALA 247 Cb -0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2qtt h ALA 247 CO -0.05 0.09 0.38 1.25 0.00 0.00 0.00 179.25 180.91 2qtt h LEU 248 N 0.69 0.63 -0.30 0.00 5.85 -0.58 -1.36 115.31 120.24 2qtt h LEU 248 Ca 0.21 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 2qtt h LEU 248 Cb -0.03 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 2qtt h LEU 248 CO -0.07 0.44 0.14 -0.33 -0.34 0.00 0.00 178.44 178.28 2qtt h GLU 249 N 0.75 0.43 -0.74 1.25 4.39 -0.98 0.92 114.58 120.60 2qtt h GLU 249 Ca 0.24 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.94 2qtt h GLU 249 Cb -0.01 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.51 2qtt h GLU 249 CO -0.09 0.41 0.43 0.78 -1.16 0.00 0.00 179.01 179.38 2qtt h GLY 250 N 0.34 1.11 0.79 -3.84 0.00 -0.94 0.89 103.07 101.43 2qtt h GLY 250 Ca 0.10 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 2qtt h GLY 250 CO -0.01 0.19 -0.08 -0.84 0.00 0.00 0.00 176.54 175.80 2qtt h THR 251 N 0.79 1.30 -0.99 4.70 2.02 -1.04 -2.73 112.91 116.96 2qtt h THR 251 Ca 0.33 -1.12 0.03 0.00 0.77 0.00 0.00 66.41 66.42 2qtt h THR 251 Cb 0.19 1.64 -0.06 0.00 -1.74 0.00 0.00 68.15 68.19 2qtt h THR 251 CO -0.18 0.34 0.65 0.00 0.37 0.00 0.00 175.52 176.70 2qtt h ALA 252 N 0.70 1.31 -0.65 6.16 0.00 -0.39 -1.26 119.26 125.13 2qtt h ALA 252 Ca 0.04 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2qtt h ALA 252 Cb 0.56 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2qtt h ALA 252 CO 0.03 0.56 0.42 1.15 0.00 0.00 0.00 179.25 181.41 2qtt h THR 253 N 1.27 1.12 -0.50 0.00 2.02 -0.84 -1.10 112.91 114.88 2qtt h THR 253 Ca 0.39 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 67.19 2qtt h THR 253 Cb -0.03 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 2qtt h THR 253 CO -0.12 0.15 -0.07 0.11 0.37 0.00 0.00 175.52 175.97 2qtt h LYS 254 N 0.83 0.89 -0.24 6.66 1.57 -1.07 -1.85 116.57 123.37 2qtt h LYS 254 Ca 0.25 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2qtt h LYS 254 Cb -0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2qtt h LYS 254 CO -0.08 0.93 0.11 0.28 -0.57 0.00 0.00 179.45 180.12 2qtt h VAL 255 N 0.81 1.15 -0.44 0.50 2.07 -0.92 -0.30 116.25 119.12 2qtt h VAL 255 Ca 0.14 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.28 2qtt h VAL 255 Cb 0.58 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 2qtt h VAL 255 CO 0.04 0.15 0.16 0.40 0.02 0.00 0.00 177.57 178.34 2qtt h ILE 256 N 0.25 0.87 -0.52 4.57 2.04 -1.04 0.14 117.51 123.82 2qtt h ILE 256 Ca 0.08 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 2qtt h ILE 256 Cb 0.13 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 2qtt h ILE 256 CO -0.01 0.06 0.09 0.78 0.00 0.00 0.00 178.15 179.07 2qtt h ASN 257 N 0.34 0.77 -0.17 1.72 2.35 -1.28 -2.87 115.58 116.45 2qtt h ASN 257 Ca 0.20 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 2qtt h ASN 257 Cb 0.19 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2qtt h ASN 257 CO -0.20 0.78 -0.00 0.15 -1.65 0.00 0.00 177.43 176.51 2qtt h PHE 258 N 0.78 0.33 -0.51 1.19 3.57 -0.21 -3.30 116.94 118.80 2qtt h PHE 258 Ca 0.17 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 2qtt h PHE 258 Cb 0.34 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 2qtt h PHE 258 CO 0.02 0.52 0.15 0.82 -2.23 0.00 0.00 178.31 177.59 2qtt h ILE 259 N 0.04 1.21 -1.65 1.41 2.04 -0.74 -3.44 117.51 116.38 2qtt h ILE 259 Ca 0.05 -0.71 -0.70 0.00 1.00 0.00 0.00 64.86 64.50 2qtt h ILE 259 Cb 0.39 0.66 0.04 0.00 -0.74 0.00 0.00 36.82 37.16 2qtt h ILE 259 CO 0.01 0.27 0.68 -3.20 0.00 0.00 0.00 178.15 175.91 2qtt n ASN 260 N -4.31 2.07 0.00 1.72 5.15 -1.09 -1.33 115.26 117.47 2qtt n ASN 260 Ca 0.04 1.09 0.00 0.00 -0.60 0.00 0.00 54.58 55.11 2qtt n ASN 260 Cb 0.20 -1.18 0.00 0.00 -0.53 0.00 0.00 39.78 38.26 2qtt n ASN 260 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qtt n GLY 261 N 3.34 0.64 3.82 8.20 0.00 -1.26 -5.03 105.19 114.90 2qtt n GLY 261 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 2qtt n GLY 261 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qtt s ARG 262 N -0.19 3.23 0.65 1.61 0.52 -0.44 -4.77 118.95 119.56 2qtt s ARG 262 Ca 0.00 -0.34 -0.13 0.00 -0.52 0.00 0.00 55.73 54.74 2qtt s ARG 262 Cb 0.00 -2.99 -0.01 0.00 0.52 0.00 0.00 34.95 32.47 2qtt s ARG 262 CO 0.00 0.70 1.05 -0.80 0.02 0.00 0.00 175.30 176.27 2qtt s ASN 263 N -1.45 5.59 0.40 0.23 -0.87 -1.26 -0.72 114.94 116.86 2qtt s ASN 263 Ca 0.20 1.68 0.14 0.00 -1.57 0.00 0.00 52.86 53.31 2qtt s ASN 263 Cb -0.12 -2.51 0.97 0.00 -0.02 0.00 0.00 41.25 39.58 2qtt s ASN 263 CO 0.10 -1.30 1.88 -0.07 -2.57 0.00 0.00 177.10 175.15 2qtt h LEU 264 N -0.25 0.49 -1.11 0.60 3.38 -1.80 -1.52 115.31 115.10 2qtt h LEU 264 Ca -0.45 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2qtt h LEU 264 Cb 1.21 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2qtt h LEU 264 CO 0.57 0.24 0.00 0.77 0.09 0.00 0.00 178.44 180.11 2qtt h SER 265 N 0.51 0.00 -0.04 -0.43 4.64 -1.95 -1.90 113.55 114.38 2qtt h SER 265 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2qtt h SER 265 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2qtt h SER 265 CO -0.17 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.26 2qtt n ASP 266 N -2.99 1.97 0.00 4.97 8.00 -0.58 -5.06 116.55 122.86 2qtt n ASP 266 Ca 0.01 -1.66 0.00 0.00 0.71 0.00 0.00 54.79 53.85 2qtt n ASP 266 Cb 0.34 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 2qtt n ASP 266 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99